X5J598_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J598, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 aa.

						>X5J598_MOUSE|X5J598
AELVMPGASVKLSCKASGYTFTSYWMHWVKQRPGQGLEWIGEIDPSDSYTNYNQKFKGKSTLTVDKSSSTAYMQLSSLTSEDSAVYYCASYGSSYAWFAYWGQGTLVTVS
					

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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	A	83.4	Confident	94.5	Very high	102 Å²	102	77.7 Å²	77.7	84%	0.843	47%	0.472	S	S	*	.				0	139.3	0	0	0	0	0	0	107.1	L106	A1-L106 CarbonylContact C-O 3.51Å; A1-L106 WeakPolarHBondContact CA-O 3.34Å; A1-L106 HydrophobicContact CB-CB 4.01Å
2	E	90.3	Very high	94.8	Very high	92 Å²	92	71.8 Å²	71.8	43%	0.43	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.4	-174.8	-63.5	-64	152.5	0	0	109.1	V10 L12 T105 L106 V107 T108	E2-V10 HydrophobicContact CB-CG2 4.15Å; E2-V10 HydrophobicContact CG-CG2 3.95Å; E2-L12 HydrophobicContact CG-CD2 4.44Å; E2-T105 HydrophobicContact CG-CG2 4.35Å; E2-L106 PolarHBondContact N-O 3.23Å; E2-V107 HydrophobicContact CB-CG2 4.32Å; E2-V107 CarbonylContact O-C 3.58Å; E2-V107 WeakPolarHBondContact O-CA 3.17Å; E2-T108 PolarHBondContact O-N 3.48Å
3	L	95.1	Very high	94.9	Very high	127 Å²	127	72.2 Å²	72.2	67%	0.665	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.5	171.2	-177.4	66.1	0	0	0	108.1	T108 S110	L3-T108 WeakPolarHBondContact CA-O 3.26Å; L3-T108 HydrophobicContact CD1-CG2 3.74Å; L3-S110 WeakPolarHBondContact CD1-OG 3.38Å
4	V	95.5	Very high	95	Very high	21 Å²	21	68 Å²	68	13%	0.127	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	149.8	-174	-63	0	0	0	0	111.5	A8 V10 L78 V107 T108 V109 S110	V4-A8 HydrophobicContact CB-CB 4.38Å; V4-V10 HydrophobicContact CG1-CB 4.44Å; V4-V10 HydrophobicContact CG1-CG2 4.49Å; V4-L78 HydrophobicContact CB-CD1 4.4Å; V4-L78 HydrophobicContact CG2-CD1 3.48Å; V4-L78 VanDerWaalsContact CG2-CD1 3.48Å; V4-V107 HydrophobicContact CG2-CG1 4.19Å; V4-T108 PolarHBondContact N-O 2.63Å; V4-V109 HydrophobicContact CG2-CB 4.33Å; V4-V109 HydrophobicContact CG2-CG1 4.37Å; V4-V109 HydrophobicContact CG2-CG2 3.78Å; V4-V109 VanDerWaalsContact O-CA 3.31Å; V4-V109 WeakPolarHBondContact O-CA 3.46Å; V4-S110 PolarHBondContact O-N 2.65Å; V4-S110 VanDerWaalsContact O-N 3.14Å
5	M	95.5	Very high	95	Very high	144 Å²	144	73.9 Å²	73.9	71%	0.709	44%	0.436	S	S	*	.			trans	-76.2	151.6	174.1	-68.4	-176.6	-75.2	0	0	110.9	G7 A8	M5-G7 PolarHBondContact O-N 3.25Å; M5-A8 WeakPolarHBondContact O-CB 3.25Å; M5-A8 PolarHBondContact O-N 3.04Å; M5-A8 VanDerWaalsContact O-N 3.14Å
6	P	96.6	Very high	94.8	Very high	83 Å²	83	70 Å²	70	54%	0.539	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	139.3	169.8	-25	33.7	0	0	0	112.2	A8 L78 V109	P6-A8 VanDerWaalsContact C-N 3.25Å; P6-A8 PolarHBondContact O-N 2.86Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.44Å; P6-V109 HydrophobicContact CB-CG1 4.39Å; P6-V109 HydrophobicContact CG-CG1 4.15Å
7	G	95.3	Very high	94.3	Very high	53 Å²	53	71.8 Å²	71.8	55%	0.546	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	-12.4	-176.8	0	0	0	0	0	114.8	M5 L78	M5-G7 PolarHBondContact O-N 3.25Å; G7-L78 PolarHBondContact N-O 2.86Å
8	A	96.4	Very high	93.8	Very high	35 Å²	35	72.8 Å²	72.8	29%	0.289	46%	0.459	S	S	.	.			trans	-70.4	167.9	176.1	0	0	0	0	0	112.3	V4 M5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.38Å; M5-A8 WeakPolarHBondContact O-CB 3.25Å; M5-A8 PolarHBondContact O-N 3.04Å; M5-A8 VanDerWaalsContact O-N 3.14Å; P6-A8 VanDerWaalsContact C-N 3.25Å; P6-A8 PolarHBondContact O-N 2.86Å; A8-S77 PolarHBondContact O-N 2.81Å; A8-L78 WeakPolarHBondContact O-CB 3.11Å; A8-L78 WeakPolarHBondContact O-CG 3.31Å; A8-L78 PolarHBondContact O-N 3.05Å
9	S	96.7	Very high	93.2	Very high	62 Å²	62	71.9 Å²	71.9	43%	0.434	45%	0.447	S	S	.	.			trans	-114.5	146.3	170.4	-57.6	0	0	0	0	110.2	L75 S76	S9-L75 CarbonylContact C-O 3.6Å; S9-L75 WeakPolarHBondContact CA-O 3.38Å; S9-L75 VanDerWaalsContact CB-O 3.24Å; S9-L75 WeakPolarHBondContact CB-O 3.19Å; S9-S76 WeakPolarHBondContact OG-CA 3.33Å; S9-S76 PolarHBondContact OG-OG 2.82Å
10	V	97.1	Very high	93	Very high	12 Å²	12	72.8 Å²	72.8	7%	0.073	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	143.7	173.7	74.6	0	0	0	0	109.9	E2 V4 L12 Q74 L75 L78 V107	E2-V10 HydrophobicContact CB-CG2 4.15Å; E2-V10 HydrophobicContact CG-CG2 3.95Å; V4-V10 HydrophobicContact CG1-CB 4.44Å; V4-V10 HydrophobicContact CG1-CG2 4.49Å; V10-L12 HydrophobicContact CG1-CD2 4.35Å; V10-L12 HydrophobicContact CG1-CG 4.45Å; V10-L12 HydrophobicContact CG2-CD2 4.07Å; V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 WeakPolarHBondContact O-CA 3.49Å; V10-L75 HydrophobicContact CG1-CB 4.13Å; V10-L75 HydrophobicContact CG1-CD1 4.15Å; V10-L75 PolarHBondContact N-O 3.09Å; V10-L75 PolarHBondContact O-N 3.11Å; V10-L78 HydrophobicContact CB-CD1 4.07Å; V10-L78 HydrophobicContact CG1-CD1 3.84Å; V10-V107 HydrophobicContact CG1-CG1 4.37Å; V10-V107 HydrophobicContact CG1-CG2 4.45Å
11	K	97.6	Very high	92.9	Very high	124 Å²	124	69.6 Å²	69.6	54%	0.539	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	111.5	174.2	-173.2	178.5	-179.2	-178.2	0	109.3	Y72	K11-Y72 HydrophobicContact CD-CD1 4.38Å; K11-Y72 VanDerWaalsContact CE-CD1 3.45Å; K11-Y72 VanDerWaalsContact CE-CG 3.5Å; K11-Y72 HydrophobicContact CG-CD1 4.36Å
12	L	97.8	Very high	93.2	Very high	6 Å²	6	67.5 Å²	67.5	3%	0.031	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	146.5	174.9	-54.7	-174.9	0	0	0	109.8	E2 V10 W28 Y72 M73 Y86 T105 V107	E2-L12 HydrophobicContact CG-CD2 4.44Å; V10-L12 HydrophobicContact CG1-CD2 4.35Å; V10-L12 HydrophobicContact CG1-CG 4.45Å; V10-L12 HydrophobicContact CG2-CD2 4.07Å; L12-W28 HydrophobicContact CB-CH2 4.03Å; L12-W28 HydrophobicContact CB-CZ3 3.92Å; L12-W28 HydrophobicContact CD1-CZ3 4.49Å; L12-Y72 CarbonylContact O-C 3.53Å; L12-Y72 WeakPolarHBondContact O-CA 3.42Å; L12-M73 HydrophobicContact CD1-CE 3.77Å; L12-M73 PolarHBondContact N-O 2.02Å; L12-M73 PolarHBondContact O-N 3.31Å; L12-Y86 VanDerWaalsContact CD1-CB 3.43Å; L12-Y86 HydrophobicContact CD1-CD1 4.44Å; L12-Y86 HydrophobicContact CD1-CD2 4.18Å; L12-Y86 HydrophobicContact CD1-CG 3.77Å; L12-T105 HydrophobicContact CD2-CG2 3.98Å; L12-V107 HydrophobicContact CD1-CG2 4.2Å; L12-V107 HydrophobicContact CD2-CG2 4Å
13	S	97.1	Very high	93.2	Very high	77 Å²	77	66.6 Å²	66.6	54%	0.538	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	149.3	177.2	64.3	0	0	0	0	111	A71 Y72	S13-A71 CarbonylContact C-O 3.52Å; S13-A71 WeakPolarHBondContact CA-O 3.31Å; S13-Y72 VanDerWaalsContact CB-CD1 3.48Å; S13-Y72 VanDerWaalsContact CB-CE1 3.44Å
14	C	95.8	Very high	92.8	Very high	14 Å²	14	63.2 Å²	63.2	10%	0.095	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	108.2	174.5	-179.5	0	0	0	0	109.1	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.82Å; C14-W28 HydrophobicContact CB-CZ2 3.95Å; C14-T70 CarbonylContact O-C 3.52Å; C14-T70 WeakPolarHBondContact O-CA 3.43Å; C14-A71 PolarHBondContact N-O 3.21Å; C14-A71 PolarHBondContact O-N 3.22Å; C14-C88 HydrophobicContact CB-CB 3.4Å; C14-C88 WeakPolarHBondContact CB-SG 3.02Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.78Å
15	K	95	Very high	92.6	Very high	156 Å²	156	66 Å²	66	68%	0.678	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	121.2	179.3	-173.7	173	-176.6	178.3	0	109.9	T70	K15-T70 HydrophobicContact CB-CG2 4.49Å
16	A	91	Very high	92.6	Very high	12 Å²	12	59.2 Å²	59.2	10%	0.099	37%	0.366	C	S	.	.			trans	-74.3	146.7	174.9	0	0	0	0	0	111.1	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 4.17Å; A16-Y19 HydrophobicContact CB-CE2 3.92Å; A16-Y19 WeakPolarHBondContact CB-OH 3.41Å; A16-F21 HydrophobicContact CB-CB 4.2Å; A16-F21 HydrophobicContact CB-CD2 3.37Å; A16-F21 HydrophobicContact CB-CE2 4.06Å; A16-F21 HydrophobicContact CB-CG 4.11Å; A16-S69 PolarHBondContact N-O 2.93Å
17	S	87.5	Confident	92.5	Very high	101 Å²	101	56 Å²	56	71%	0.706	34%	0.344	S	S	*	.			trans	-149.8	150.1	174.7	65.1	0	0	0	0	110.2	Y19	S17-Y19 VanDerWaalsContact C-N 3.33Å; S17-Y19 VanDerWaalsContact O-CD1 3.25Å; S17-Y19 WeakPolarHBondContact O-CD1 3.4Å; S17-Y19 PolarHBondContact O-N 2.95Å
18	G	84.5	Confident	92.6	Very high	90 Å²	90	53.7 Å²	53.7	93%	0.928	32%	0.318	S	S	*	.	S	Bend	trans	81.2	3.4	177.6	0	0	0	0	0	115.7
19	Y	83.2	Confident	92.6	Very high	56 Å²	56	52.2 Å²	52.2	22%	0.22	31%	0.306	C	S	.	.	S	Bend	trans	-154.9	165.4	175.9	62	-93.5	0	0	0	112.1	A16 S17 F21 Y24 S90	A16-Y19 HydrophobicContact CB-CE1 4.17Å; A16-Y19 HydrophobicContact CB-CE2 3.92Å; A16-Y19 WeakPolarHBondContact CB-OH 3.41Å; S17-Y19 VanDerWaalsContact C-N 3.33Å; S17-Y19 VanDerWaalsContact O-CD1 3.25Å; S17-Y19 WeakPolarHBondContact O-CD1 3.4Å; S17-Y19 PolarHBondContact O-N 2.95Å; Y19-F21 PolarHBondContact O-N 2.86Å; Y19-F21 VanDerWaalsContact O-N 3.16Å; Y19-Y24 AromaticContact CD2-CD2 3.47Å; Y19-Y24 HydrophobicContact CD2-CD2 3.47Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.47Å; Y19-Y24 AromaticContact CD2-CE2 3.99Å; Y19-Y24 HydrophobicContact CD2-CE2 3.99Å; Y19-Y24 HydrophobicContact CD2-CG 4.45Å; Y19-Y24 AromaticContact CE2-CD2 3.95Å; Y19-Y24 HydrophobicContact CE2-CD2 3.95Å; Y19-Y24 HydrophobicContact CG-CD2 4.17Å; Y19-Y24 HydrophobicContact CG-CE2 4.3Å; Y19-S90 VanDerWaalsContact OH-CB 3.28Å; Y19-S90 WeakPolarHBondContact OH-CB 3.35Å; Y19-S90 PolarHBondContact OH-OG 2.86Å
20	T	88.9	Confident	92.6	Very high	89 Å²	89	49.3 Å²	49.3	55%	0.546	29%	0.285	S	S	.	.			trans	-69.3	107	173.1	-55.7	0	0	0	0	109.9	T22 S23	T20-T22 PolarHBondContact O-N 2.89Å; T20-T22 VanDerWaalsContact O-N 3.14Å; T20-S23 WeakPolarHBondContact CB-OG 3.34Å; T20-S23 WeakPolarHBondContact CG2-OG 3.5Å; T20-S23 WeakPolarHBondContact O-CB 3.43Å; T20-S23 PolarHBondContact O-N 2.92Å
21	F	89.9	Confident	92.6	Very high	6 Å²	6	52 Å²	52	3%	0.026	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-53.5	-37.9	-173.1	177.6	-125.2	0	0	0	113.9	A16 Y19 S23 M26 P45 V64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.2Å; A16-F21 HydrophobicContact CB-CD2 3.37Å; A16-F21 HydrophobicContact CB-CE2 4.06Å; A16-F21 HydrophobicContact CB-CG 4.11Å; Y19-F21 PolarHBondContact O-N 2.86Å; Y19-F21 VanDerWaalsContact O-N 3.16Å; F21-S23 PolarHBondContact O-N 3.02Å; F21-M26 HydrophobicContact CE2-CE 3.98Å; F21-P45 HydrophobicContact CD1-CB 3.82Å; F21-P45 HydrophobicContact CD1-CG 4.47Å; F21-P45 HydrophobicContact CD2-CB 4.41Å; F21-P45 HydrophobicContact CD2-CG 4.2Å; F21-P45 HydrophobicContact CE1-CB 3.55Å; F21-P45 HydrophobicContact CE1-CG 4.14Å; F21-P45 HydrophobicContact CE2-CB 4.17Å; F21-P45 HydrophobicContact CE2-CG 3.83Å; F21-P45 HydrophobicContact CG-CB 4.28Å; F21-P45 HydrophobicContact CZ-CB 3.73Å; F21-P45 HydrophobicContact CZ-CG 3.81Å; F21-P45 WeakPolarHBondContact O-CG 3.34Å; F21-V64 HydrophobicContact CE1-CB 4.26Å; F21-V64 HydrophobicContact CE1-CG1 4.34Å; F21-V64 HydrophobicContact CZ-CB 4.35Å; F21-V64 HydrophobicContact CZ-CG1 4Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; F21-A71 HydrophobicContact CE2-CB 4.33Å; F21-A71 HydrophobicContact CZ-CB 4.05Å
22	T	91.4	Very high	92.5	Very high	57 Å²	57	48.6 Å²	48.6	35%	0.35	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-78.4	-1	-179.5	57.9	0	0	0	0	114.4	T20 S46 K66	T20-T22 PolarHBondContact O-N 2.89Å; T20-T22 VanDerWaalsContact O-N 3.14Å; T22-S46 WeakPolarHBondContact O-CB 3.35Å; T22-K66 HydrophobicContact CG2-CD 4.31Å; T22-K66 HydrophobicContact CG2-CG 4.49Å
23	S	88.6	Confident	92.2	Very high	74 Å²	74	53.9 Å²	53.9	52%	0.517	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-93	-7.8	179.4	-60.8	0	0	0	0	113.3	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.34Å; T20-S23 WeakPolarHBondContact CG2-OG 3.5Å; T20-S23 WeakPolarHBondContact O-CB 3.43Å; T20-S23 PolarHBondContact O-N 2.92Å; F21-S23 PolarHBondContact O-N 3.02Å
24	Y	87.6	Confident	92	Very high	56 Å²	56	54.8 Å²	54.8	22%	0.22	34%	0.337	C	S	.	.	S	Bend	trans	-139.7	141.9	-173.4	-59	-79.3	0	0	0	111.7	Y19 P45 Y91	Y19-Y24 AromaticContact CD2-CD2 3.47Å; Y19-Y24 HydrophobicContact CD2-CD2 3.47Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.47Å; Y19-Y24 AromaticContact CD2-CE2 3.99Å; Y19-Y24 HydrophobicContact CD2-CE2 3.99Å; Y19-Y24 HydrophobicContact CD2-CG 4.45Å; Y19-Y24 AromaticContact CE2-CD2 3.95Å; Y19-Y24 HydrophobicContact CE2-CD2 3.95Å; Y19-Y24 HydrophobicContact CG-CD2 4.17Å; Y19-Y24 HydrophobicContact CG-CE2 4.3Å; Y24-P45 WeakPolarHBondContact O-CD 3.35Å; Y24-P45 WeakPolarHBondContact O-CG 3.42Å; Y24-Y91 HydrophobicContact CD1-CD1 4.39Å; Y24-Y91 WeakPolarHBondContact CD1-O 3.15Å; Y24-Y91 WeakPolarHBondContact CE1-O 2.98Å
25	W	91.8	Very high	91.8	Very high	79 Å²	79	58.9 Å²	58.9	30%	0.299	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-69.4	141.3	175	-71	40.3	0	0	0	109.7	E42 D44 Y49	W25-E42 HydrophobicContact CE3-CB 4.07Å; W25-E42 HydrophobicContact CE3-CG 3.43Å; W25-E42 VanDerWaalsContact CE3-CG 3.43Å; W25-E42 VanDerWaalsContact CZ3-CD 3.43Å; W25-E42 HydrophobicContact CZ3-CG 3.59Å; W25-E42 VanDerWaalsContact CZ3-OE1 3.3Å; W25-E42 WeakPolarHBondContact CZ3-OE1 3.08Å; W25-D44 HydrophobicContact CD2-CB 4.08Å; W25-D44 HydrophobicContact CG-CB 4.37Å; W25-D44 HydrophobicContact CZ2-CB 3.96Å; W25-D44 VanDerWaalsContact NE1-CG 3.31Å; W25-D44 PolarHBondContact NE1-OD2 2.93Å; W25-Y49 AromaticContact CH2-CD1 3.52Å; W25-Y49 HydrophobicContact CH2-CD1 3.52Å; W25-Y49 AromaticContact CH2-CE1 3.8Å; W25-Y49 HydrophobicContact CH2-CE1 3.8Å; W25-Y49 HydrophobicContact CZ2-CD1 4.29Å; W25-Y49 HydrophobicContact CZ3-CD1 4.12Å; W25-Y49 HydrophobicContact CZ3-CE1 4.33Å
26	M	94.2	Very high	91.7	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.01	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	119.4	173.3	-175	65.4	67.5	0	0	109.2	F21 E42 I43 A71 C88	F21-M26 HydrophobicContact CE2-CE 3.98Å; M26-E42 CarbonylContact O-C 3.38Å; M26-E42 WeakPolarHBondContact O-CA 3.34Å; M26-I43 HydrophobicContact CB-CG2 4.02Å; M26-I43 PolarHBondContact N-O 2.91Å; M26-I43 PolarHBondContact O-N 2.8Å; M26-A71 HydrophobicContact CB-CB 4.07Å; M26-A71 HydrophobicContact CE-CB 4.48Å; M26-A71 HydrophobicContact CG-CB 3.6Å; M26-C88 HydrophobicContact SD-CB 3.79Å
27	H	95.4	Very high	91.9	Very high	16 Å²	16	58.1 Å²	58.1	7%	0.074	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	150.7	178.6	-50.5	-99	0	0	0	110.8	W39 G41 E42 C88 A89 F98	H27-W39 AromaticContact ND1-NE1 3.63Å; H27-G41 WeakPolarHBondContact CA-O 3.48Å; H27-E42 HydrophobicContact CB-CB 4.44Å; H27-E42 IonicContact CE1-OE2 3.87Å; H27-E42 PolarHBondContact CE1-OE2 3.09Å; H27-E42 WeakPolarHBondContact ND1-CB 3.37Å; H27-E42 IonicContact ND1-OE2 3.22Å; H27-E42 PolarHBondContact ND1-OE2 3.39Å; H27-C88 CarbonylContact O-C 3.58Å; H27-C88 VanDerWaalsContact O-CA 3.23Å; H27-C88 WeakPolarHBondContact O-CA 3.29Å; H27-A89 PolarHBondContact CD2-O 2.66Å; H27-A89 PolarHBondContact N-O 2.87Å; H27-A89 PolarHBondContact O-N 3.31Å; H27-F98 HydrophobicContact CB-CD1 4.15Å; H27-F98 HydrophobicContact CB-CE1 3.57Å; H27-F98 AromaticContact CD2-CD1 3.9Å; H27-F98 AromaticContact CD2-CE1 3.71Å; H27-F98 AromaticContact CG-CE1 3.46Å; H27-F98 VanDerWaalsContact CG-CE1 3.46Å; H27-F98 AromaticContact ND1-CE1 3.83Å
28	W	97.2	Very high	92.3	Very high	4 Å²	4	55 Å²	55	2%	0.015	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.4	175.3	-69.6	89.6	0	0	0	110.4	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.03Å; L12-W28 HydrophobicContact CB-CZ3 3.92Å; L12-W28 HydrophobicContact CD1-CZ3 4.49Å; C14-W28 HydrophobicContact CB-CH2 3.82Å; C14-W28 HydrophobicContact CB-CZ2 3.95Å; W28-I40 HydrophobicContact CB-CB 4.16Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 3.29Å; W28-I40 PolarHBondContact O-N 2.87Å; W28-G41 PolarHBondContact N-O 2.89Å; W28-L62 VanDerWaalsContact CD1-CD2 3.5Å; W28-L62 HydrophobicContact CG-CD2 4.04Å; W28-A71 HydrophobicContact CZ2-CB 4.39Å; W28-M73 HydrophobicContact CB-SD 3.81Å; W28-M73 HydrophobicContact CD2-CB 3.61Å; W28-M73 HydrophobicContact CD2-CE 4.35Å; W28-M73 HydrophobicContact CD2-CG 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.02Å; W28-M73 HydrophobicContact CE3-CB 3.87Å; W28-M73 HydrophobicContact CE3-CE 3.78Å; W28-M73 HydrophobicContact CE3-SD 4.07Å; W28-M73 HydrophobicContact CG-CB 4.12Å; W28-M73 HydrophobicContact CG-SD 3.94Å; W28-M73 HydrophobicContact CH2-CB 4.09Å; W28-M73 HydrophobicContact CZ2-CB 3.86Å; W28-M73 HydrophobicContact CZ3-CB 4.1Å; W28-M73 HydrophobicContact CZ3-CE 4.3Å; W28-Y87 WeakPolarHBondContact CA-O 3.37Å; W28-C88 HydrophobicContact CD2-CB 4.39Å; W28-C88 HydrophobicContact CE3-CB 4.22Å; W28-C88 HydrophobicContact CH2-CB 4.29Å; W28-C88 HydrophobicContact CZ2-CB 4.44Å; W28-C88 HydrophobicContact CZ3-CB 4.17Å
29	V	96.9	Very high	92.8	Very high	4 Å²	4	54 Å²	54	2%	0.024	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	136.3	-173	-176.2	0	0	0	0	109.5	L37 E38 Y86 Y87 W101	V29-L37 HydrophobicContact CG1-CB 3.76Å; V29-L37 HydrophobicContact CG1-CD2 3.9Å; V29-L37 HydrophobicContact CG1-CG 4.31Å; V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 3.23Å; V29-Y86 CarbonylContact O-C 3.46Å; V29-Y86 WeakPolarHBondContact O-CA 3.38Å; V29-Y87 PolarHBondContact N-O 2.92Å; V29-Y87 PolarHBondContact O-N 2.95Å; V29-W101 HydrophobicContact CB-CH2 4.15Å; V29-W101 HydrophobicContact CB-CZ3 3.98Å; V29-W101 HydrophobicContact CG1-CH2 4.13Å; V29-W101 HydrophobicContact CG1-CZ3 4.18Å; V29-W101 HydrophobicContact CG2-CH2 3.84Å; V29-W101 HydrophobicContact CG2-CZ3 4.05Å
30	K	96.9	Very high	93.5	Very high	1 Å²	1	51.3 Å²	51.3	0%	0.004	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	138.7	174.9	-177.7	178.2	179.4	177.6	0	109.8	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 2.92Å; K30-E38 PolarHBondContact O-N 2.84Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; K30-F56 HydrophobicContact CB-CZ 4.46Å; K30-F56 HydrophobicContact CD-CE1 3.88Å; K30-F56 HydrophobicContact CD-CZ 4.01Å; K30-E81 PolarHBondContact NZ-O 2.95Å; K30-D82 IonicContact NZ-OD1 3.79Å; K30-D82 PolarHBondContact NZ-OD1 3.14Å; K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.57Å; K30-Y86 HydrophobicContact CB-CD1 4.19Å; K30-Y86 HydrophobicContact CB-CE1 3.94Å; K30-Y86 HydrophobicContact CD-CE1 3.93Å; K30-Y86 WeakPolarHBondContact CE-OH 3.39Å; K30-Y86 HydrophobicContact CG-CD1 4.33Å; K30-Y86 HydrophobicContact CG-CE1 3.76Å
31	Q	97.1	Very high	93.8	Very high	67 Å²	67	47.1 Å²	47.1	31%	0.313	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	115.2	171.3	-168.6	-177	31	0	0	110.3	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.9Å; Q31-L37 HydrophobicContact CG-CD2 4Å; Q31-A84 WeakPolarHBondContact O-CA 3.45Å; Q31-A84 VanDerWaalsContact O-CB 3.26Å; Q31-A84 WeakPolarHBondContact O-CB 3.43Å; Q31-V85 PolarHBondContact N-O 3.33Å; Q31-V85 PolarHBondContact O-N 2.95Å; Q31-Y87 HydrophobicContact CB-CD2 4.37Å; Q31-Y87 HydrophobicContact CB-CE2 3.71Å; Q31-Y87 PolarHBondContact OE1-OH 2.99Å
32	R	95	Very high	94.1	Very high	53 Å²	53	48.2 Å²	48.2	20%	0.2	28%	0.28	C	S	.	.			trans	-86.8	152	171.8	-70.8	173.5	175.2	146.4	-9.9	110.6	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.82Å; R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.05Å; R32-Q35 VanDerWaalsContact CD-OE1 3.31Å; R32-Q35 PolarHBondContact O-N 2.82Å; R32-E38 IonicContact CZ-OE1 2.58Å; R32-E38 IonicContact NH1-OE1 2.8Å; R32-E38 PolarHBondContact NH1-OE1 2.66Å; R32-E81 PolarHBondContact NE-O 2.86Å; R32-E81 PolarHBondContact NH2-O 2.85Å; R32-A84 HydrophobicContact CG-CB 4.12Å
33	P	91.5	Very high	94.3	Very high	118 Å²	118	45.6 Å²	45.6	77%	0.766	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	126	172.9	-25	34.3	0	0	0	111.3	Q35	P33-Q35 PolarHBondContact O-N 2.81Å
34	G	91.9	Very high	94.6	Very high	95 Å²	95	43 Å²	43	98%	0.979	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	5.3	179.5	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 2.82Å
35	Q	93.1	Very high	95	Very high	101 Å²	101	40.4 Å²	40.4	47%	0.472	23%	0.234	S	C	.	.	S	Bend	trans	-113.4	161.6	176	-57.1	-171	6.4	0	0	111.6	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.05Å; R32-Q35 VanDerWaalsContact CD-OE1 3.31Å; R32-Q35 PolarHBondContact O-N 2.82Å; P33-Q35 PolarHBondContact O-N 2.81Å
36	G	92.9	Very high	95.1	Very high	55 Å²	55	39.1 Å²	39.1	57%	0.567	24%	0.237	S	C	*	.			trans	-68.3	176	173.7	0	0	0	0	0	113.2
37	L	94.6	Very high	95.1	Very high	97 Å²	97	44 Å²	44	51%	0.508	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	127	173.5	-65.2	174.4	0	0	0	110.2	V29 Q31 W101	V29-L37 HydrophobicContact CG1-CB 3.76Å; V29-L37 HydrophobicContact CG1-CD2 3.9Å; V29-L37 HydrophobicContact CG1-CG 4.31Å; Q31-L37 HydrophobicContact CB-CD2 3.9Å; Q31-L37 HydrophobicContact CG-CD2 4Å; L37-W101 HydrophobicContact CD1-CH2 3.81Å; L37-W101 HydrophobicContact CD1-CZ2 4.36Å; L37-W101 HydrophobicContact CD1-CZ3 4.41Å
38	E	95.8	Very high	95.1	Very high	35 Å²	35	46 Å²	46	16%	0.164	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	113.6	175	-65.2	-169.7	-95.9	0	0	109.7	V29 K30 R32 I40 K55 F56	V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 3.23Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 2.92Å; K30-E38 PolarHBondContact O-N 2.84Å; R32-E38 IonicContact CZ-OE1 2.58Å; R32-E38 IonicContact NH1-OE1 2.8Å; R32-E38 PolarHBondContact NH1-OE1 2.66Å; E38-I40 PolarHBondContact O-N 3.45Å; E38-K55 IonicContact OE2-NZ 3.34Å; E38-F56 HydrophobicContact CB-CE2 4.48Å; E38-F56 HydrophobicContact CB-CZ 4.39Å
39	W	95.7	Very high	95.1	Very high	69 Å²	69	52.1 Å²	52.1	26%	0.261	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	127	175.7	-177.9	78.6	0	0	0	111	H27 G41 E42 N53	H27-W39 AromaticContact ND1-NE1 3.63Å; W39-G41 VanDerWaalsContact CZ2-C 3.43Å; W39-G41 VanDerWaalsContact CZ2-CA 3.41Å; W39-G41 PolarHBondContact NE1-O 3.34Å; W39-E42 HydrophobicContact CH2-CG 4.37Å; W39-E42 HydrophobicContact CZ2-CB 3.91Å; W39-E42 HydrophobicContact CZ2-CG 3.67Å; W39-N53 HydrophobicContact CE3-CB 3.79Å; W39-N53 HydrophobicContact CZ3-CB 3.96Å; W39-N53 VanDerWaalsContact CZ3-N 3.33Å; W39-N53 VanDerWaalsContact O-CB 3.23Å; W39-N53 WeakPolarHBondContact O-CB 3.05Å; W39-N53 PolarHBondContact O-ND2 2.72Å
40	I	97.1	Very high	95.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-49.4	-177.2	-61.7	175.9	0	0	0	110.2	W28 K30 E38 N53 F56 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.16Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 3.29Å; W28-I40 PolarHBondContact O-N 2.87Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; E38-I40 PolarHBondContact O-N 3.45Å; I40-N53 WeakPolarHBondContact O-CB 3.4Å; I40-N53 PolarHBondContact O-N 2.9Å; I40-F56 HydrophobicContact CB-CB 4.5Å; I40-F56 HydrophobicContact CB-CD2 4.29Å; I40-F56 HydrophobicContact CB-CG 4.2Å; I40-F56 HydrophobicContact CG1-CD1 4.1Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.07Å; I40-F56 HydrophobicContact CG1-CE2 4.2Å; I40-F56 HydrophobicContact CG1-CG 4.19Å; I40-F56 HydrophobicContact CG1-CZ 4.11Å; I40-F56 HydrophobicContact CG2-CB 3.7Å; I40-F56 HydrophobicContact CG2-CD1 4.12Å; I40-F56 HydrophobicContact CG2-CD2 4.38Å; I40-F56 HydrophobicContact CG2-CG 3.82Å; I40-M73 HydrophobicContact CD1-CE 3.88Å; I40-M73 HydrophobicContact CD1-SD 3.59Å; I40-M73 VanDerWaalsContact CD1-SD 3.59Å; I40-M73 HydrophobicContact CG2-SD 3.96Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.9Å
41	G	96.1	Very high	95.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.1	180	-170.8	0	0	0	0	0	111.5	H27 W28 W39 N51	H27-G41 WeakPolarHBondContact CA-O 3.48Å; W28-G41 PolarHBondContact N-O 2.89Å; W39-G41 VanDerWaalsContact CZ2-C 3.43Å; W39-G41 VanDerWaalsContact CZ2-CA 3.41Å; W39-G41 PolarHBondContact NE1-O 3.34Å; G41-N51 CarbonylContact C-O 3.49Å; G41-N51 WeakPolarHBondContact CA-O 3.37Å
42	E	95.6	Very high	95	Very high	29 Å²	29	56.2 Å²	56.2	14%	0.136	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	155.1	-178.7	64.2	-163.3	171.7	0	0	111	W25 M26 H27 W39 T50 N51	W25-E42 HydrophobicContact CE3-CB 4.07Å; W25-E42 HydrophobicContact CE3-CG 3.43Å; W25-E42 VanDerWaalsContact CE3-CG 3.43Å; W25-E42 VanDerWaalsContact CZ3-CD 3.43Å; W25-E42 HydrophobicContact CZ3-CG 3.59Å; W25-E42 VanDerWaalsContact CZ3-OE1 3.3Å; W25-E42 WeakPolarHBondContact CZ3-OE1 3.08Å; M26-E42 CarbonylContact O-C 3.38Å; M26-E42 WeakPolarHBondContact O-CA 3.34Å; H27-E42 HydrophobicContact CB-CB 4.44Å; H27-E42 IonicContact CE1-OE2 3.87Å; H27-E42 PolarHBondContact CE1-OE2 3.09Å; H27-E42 WeakPolarHBondContact ND1-CB 3.37Å; H27-E42 IonicContact ND1-OE2 3.22Å; H27-E42 PolarHBondContact ND1-OE2 3.39Å; W39-E42 HydrophobicContact CH2-CG 4.37Å; W39-E42 HydrophobicContact CZ2-CB 3.91Å; W39-E42 HydrophobicContact CZ2-CG 3.67Å; E42-T50 WeakPolarHBondContact O-CA 3.45Å; E42-N51 HydrophobicContact CG-CB 3.84Å; E42-N51 PolarHBondContact N-O 2.84Å; E42-N51 PolarHBondContact O-N 3.19Å; E42-N51 PolarHBondContact OE1-ND2 3.43Å
43	I	96.2	Very high	95.1	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	131.4	175.6	-174.8	158.6	0	0	0	109.3	M26 P45 Y49 T50 L62 V64	M26-I43 HydrophobicContact CB-CG2 4.02Å; M26-I43 PolarHBondContact N-O 2.91Å; M26-I43 PolarHBondContact O-N 2.8Å; I43-P45 VanDerWaalsContact O-CD 3.29Å; I43-P45 WeakPolarHBondContact O-CD 3.39Å; I43-Y49 CarbonylContact C-O 3.58Å; I43-Y49 VanDerWaalsContact CA-O 3.31Å; I43-Y49 WeakPolarHBondContact CA-O 3.26Å; I43-T50 HydrophobicContact CB-CG2 3.96Å; I43-T50 HydrophobicContact CD1-CG2 3.61Å; I43-T50 HydrophobicContact CG1-CG2 3.74Å; I43-L62 HydrophobicContact CB-CB 4.13Å; I43-L62 HydrophobicContact CB-CD1 4.37Å; I43-L62 HydrophobicContact CD1-CB 4.14Å; I43-L62 HydrophobicContact CG2-CB 4.39Å; I43-V64 HydrophobicContact CD1-CB 4.48Å; I43-V64 HydrophobicContact CD1-CG1 3.76Å; I43-V64 HydrophobicContact CD1-CG2 4.26Å; I43-V64 HydrophobicContact CG1-CG1 3.91Å; I43-V64 HydrophobicContact CG2-CG1 3.82Å
44	D	95	Very high	95.2	Very high	21 Å²	21	57.1 Å²	57.1	11%	0.112	32%	0.324	C	S	.	.			trans	-80.5	114.1	168.1	-170.1	-30.2	0	0	0	108.5	W25 S46 S48 Y49	W25-D44 HydrophobicContact CD2-CB 4.08Å; W25-D44 HydrophobicContact CG-CB 4.37Å; W25-D44 HydrophobicContact CZ2-CB 3.96Å; W25-D44 VanDerWaalsContact NE1-CG 3.31Å; W25-D44 PolarHBondContact NE1-OD2 2.93Å; D44-S46 PolarHBondContact O-N 3.27Å; D44-S46 WeakPolarHBondContact OD1-CA 3.17Å; D44-S46 WeakPolarHBondContact OD1-CB 3.29Å; D44-S46 PolarHBondContact OD1-N 3.13Å; D44-S46 PolarHBondContact OD1-OG 2.78Å; D44-S46 PolarHBondContact OD2-OG 2.92Å; D44-S48 WeakPolarHBondContact O-CA 3.3Å; D44-S48 PolarHBondContact O-N 2.8Å; D44-Y49 PolarHBondContact N-O 2.58Å
45	P	94.6	Very high	95.2	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-11.3	-179.6	-16.4	32.4	0	0	0	113.8	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.82Å; F21-P45 HydrophobicContact CD1-CG 4.47Å; F21-P45 HydrophobicContact CD2-CB 4.41Å; F21-P45 HydrophobicContact CD2-CG 4.2Å; F21-P45 HydrophobicContact CE1-CB 3.55Å; F21-P45 HydrophobicContact CE1-CG 4.14Å; F21-P45 HydrophobicContact CE2-CB 4.17Å; F21-P45 HydrophobicContact CE2-CG 3.83Å; F21-P45 HydrophobicContact CG-CB 4.28Å; F21-P45 HydrophobicContact CZ-CB 3.73Å; F21-P45 HydrophobicContact CZ-CG 3.81Å; F21-P45 WeakPolarHBondContact O-CG 3.34Å; Y24-P45 WeakPolarHBondContact O-CD 3.35Å; Y24-P45 WeakPolarHBondContact O-CG 3.42Å; I43-P45 VanDerWaalsContact O-CD 3.29Å; I43-P45 WeakPolarHBondContact O-CD 3.39Å; P45-V64 HydrophobicContact CB-CG1 4.06Å; P45-V64 HydrophobicContact CG-CG1 4.31Å; P45-K66 WeakPolarHBondContact O-CD 3.47Å; P45-K66 WeakPolarHBondContact O-CE 3.23Å
46	S	93.8	Very high	95.3	Very high	53 Å²	53	55.4 Å²	55.4	37%	0.371	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-41.9	179.4	74.3	0	0	0	0	112.8	T22 D44 K66	T22-S46 WeakPolarHBondContact O-CB 3.35Å; D44-S46 PolarHBondContact O-N 3.27Å; D44-S46 WeakPolarHBondContact OD1-CA 3.17Å; D44-S46 WeakPolarHBondContact OD1-CB 3.29Å; D44-S46 PolarHBondContact OD1-N 3.13Å; D44-S46 PolarHBondContact OD1-OG 2.78Å; D44-S46 PolarHBondContact OD2-OG 2.92Å; S46-K66 PolarHBondContact O-NZ 2.82Å
47	D	95.3	Very high	95.2	Very high	103 Å²	103	59.2 Å²	59.2	55%	0.551	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.6	0.8	-176	67.5	2.3	0	0	0	113.9	Y49	D47-Y49 PolarHBondContact O-N 2.8Å; D47-Y49 WeakPolarHBondContact OD1-CB 3.43Å; D47-Y49 PolarHBondContact OD1-N 3.08Å
48	S	95.9	Very high	95.1	Very high	59 Å²	59	58.1 Å²	58.1	41%	0.413	30%	0.301	S	S	.	.			trans	64.7	19.5	-176.8	-49.5	0	0	0	0	114	D44 T50	D44-S48 WeakPolarHBondContact O-CA 3.3Å; D44-S48 PolarHBondContact O-N 2.8Å; S48-T50 PolarHBondContact O-N 3.29Å
49	Y	96.4	Very high	95	Very high	132 Å²	132	59 Å²	59	52%	0.518	30%	0.304	S	S	.	.			trans	-60.8	136.6	170.8	-179.5	-96.5	0	0	0	110.1	W25 I43 D44 D47 N51	W25-Y49 AromaticContact CH2-CD1 3.52Å; W25-Y49 HydrophobicContact CH2-CD1 3.52Å; W25-Y49 AromaticContact CH2-CE1 3.8Å; W25-Y49 HydrophobicContact CH2-CE1 3.8Å; W25-Y49 HydrophobicContact CZ2-CD1 4.29Å; W25-Y49 HydrophobicContact CZ3-CD1 4.12Å; W25-Y49 HydrophobicContact CZ3-CE1 4.33Å; I43-Y49 CarbonylContact C-O 3.58Å; I43-Y49 VanDerWaalsContact CA-O 3.31Å; I43-Y49 WeakPolarHBondContact CA-O 3.26Å; D44-Y49 PolarHBondContact N-O 2.58Å; D47-Y49 PolarHBondContact O-N 2.8Å; D47-Y49 WeakPolarHBondContact OD1-CB 3.43Å; D47-Y49 PolarHBondContact OD1-N 3.08Å; Y49-N51 HydrophobicContact CE1-CB 4.23Å
50	T	96.9	Very high	95.1	Very high	48 Å²	48	55.9 Å²	55.9	29%	0.294	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.1	-178.8	52	0	0	0	0	111.4	E42 I43 S48 Y52 L62	E42-T50 WeakPolarHBondContact O-CA 3.45Å; I43-T50 HydrophobicContact CB-CG2 3.96Å; I43-T50 HydrophobicContact CD1-CG2 3.61Å; I43-T50 HydrophobicContact CG1-CG2 3.74Å; S48-T50 PolarHBondContact O-N 3.29Å; T50-Y52 HydrophobicContact CG2-CE2 4.42Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.29Å; T50-L62 HydrophobicContact CG2-CB 4.02Å
51	N	95.8	Very high	95.1	Very high	64 Å²	64	58.9 Å²	58.9	34%	0.342	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142.6	171.8	-178.5	25.5	0	0	0	109	G41 E42 Y49	G41-N51 CarbonylContact C-O 3.49Å; G41-N51 WeakPolarHBondContact CA-O 3.37Å; E42-N51 HydrophobicContact CG-CB 3.84Å; E42-N51 PolarHBondContact N-O 2.84Å; E42-N51 PolarHBondContact O-N 3.19Å; E42-N51 PolarHBondContact OE1-ND2 3.43Å; Y49-N51 HydrophobicContact CE1-CB 4.23Å
52	Y	96.6	Very high	95.2	Very high	46 Å²	46	59.3 Å²	59.3	18%	0.18	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	147.2	-171.3	-68.6	-90.7	0	0	0	111	T50 S60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.42Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.29Å; Y52-S60 WeakPolarHBondContact CE1-O 3.46Å; Y52-S60 WeakPolarHBondContact CE1-OG 3.09Å; Y52-L62 HydrophobicContact CE1-CD1 3.99Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 3.49Å
53	N	95.8	Very high	95.3	Very high	46 Å²	46	60.8 Å²	60.8	25%	0.246	33%	0.325	C	S	.	.			trans	-68.7	132.7	156.2	-176.7	-24.9	0	0	0	109	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.79Å; W39-N53 HydrophobicContact CZ3-CB 3.96Å; W39-N53 VanDerWaalsContact CZ3-N 3.33Å; W39-N53 VanDerWaalsContact O-CB 3.23Å; W39-N53 WeakPolarHBondContact O-CB 3.05Å; W39-N53 PolarHBondContact O-ND2 2.72Å; I40-N53 WeakPolarHBondContact O-CB 3.4Å; I40-N53 PolarHBondContact O-N 2.9Å; N53-K55 PolarHBondContact O-N 2.83Å; N53-K55 PolarHBondContact OD1-N 3.33Å; N53-K55 VanDerWaalsContact OD1-N 3.13Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 3.13Å; N53-K57 PolarHBondContact O-N 2.66Å; N53-K57 VanDerWaalsContact O-N 3.17Å
54	Q	94.4	Very high	95.4	Very high	145 Å²	145	62 Å²	62	68%	0.678	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-32.8	-178	-68.2	-68.9	-4.7	0	0	113	F56 K57	Q54-F56 PolarHBondContact O-N 2.8Å; Q54-K57 PolarHBondContact O-N 2.88Å
55	K	92.3	Very high	95.5	Very high	148 Å²	148	63.6 Å²	63.6	64%	0.643	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-29.1	177.4	-67.7	-175	-178.8	-179.5	0	113.9	E38 N53	E38-K55 IonicContact OE2-NZ 3.34Å; N53-K55 PolarHBondContact O-N 2.83Å; N53-K55 PolarHBondContact OD1-N 3.33Å; N53-K55 VanDerWaalsContact OD1-N 3.13Å
56	F	94	Very high	95.5	Very high	12 Å²	12	68.4 Å²	68.4	5%	0.053	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-4.2	-175	-62.6	-85	0	0	0	112.9	K30 E38 I40 N53 Q54 G58 K59 S60	K30-F56 HydrophobicContact CB-CZ 4.46Å; K30-F56 HydrophobicContact CD-CE1 3.88Å; K30-F56 HydrophobicContact CD-CZ 4.01Å; E38-F56 HydrophobicContact CB-CE2 4.48Å; E38-F56 HydrophobicContact CB-CZ 4.39Å; I40-F56 HydrophobicContact CB-CB 4.5Å; I40-F56 HydrophobicContact CB-CD2 4.29Å; I40-F56 HydrophobicContact CB-CG 4.2Å; I40-F56 HydrophobicContact CG1-CD1 4.1Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.07Å; I40-F56 HydrophobicContact CG1-CE2 4.2Å; I40-F56 HydrophobicContact CG1-CG 4.19Å; I40-F56 HydrophobicContact CG1-CZ 4.11Å; I40-F56 HydrophobicContact CG2-CB 3.7Å; I40-F56 HydrophobicContact CG2-CD1 4.12Å; I40-F56 HydrophobicContact CG2-CD2 4.38Å; I40-F56 HydrophobicContact CG2-CG 3.82Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 3.13Å; Q54-F56 PolarHBondContact O-N 2.8Å; F56-G58 PolarHBondContact O-N 3.48Å; F56-K59 PolarHBondContact O-N 2.88Å; F56-K59 VanDerWaalsContact O-N 3.09Å; F56-S60 PolarHBondContact O-N 3.14Å; F56-S60 PolarHBondContact O-OG 3.39Å
57	K	91.8	Very high	95.5	Very high	134 Å²	134	71.2 Å²	71.2	58%	0.583	38%	0.381	S	S	*	.	B	Isolated β-bridge	trans	-62.9	123.8	175	-165.3	174.1	-175.6	178.1	0	109.1	N53 Q54 K59	N53-K57 PolarHBondContact O-N 2.66Å; N53-K57 VanDerWaalsContact O-N 3.17Å; Q54-K57 PolarHBondContact O-N 2.88Å; K57-K59 VanDerWaalsContact C-N 3.26Å; K57-K59 PolarHBondContact O-N 2.97Å
58	G	91.9	Very high	95.5	Very high	75 Å²	75	68 Å²	68	77%	0.773	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	-20.7	-175.8	0	0	0	0	0	114.9	F56	F56-G58 PolarHBondContact O-N 3.48Å
59	K	94.8	Very high	95.4	Very high	53 Å²	53	67.1 Å²	67.1	23%	0.23	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-32.9	172.4	-169.3	161.8	-166.1	172	0	112.8	F56 K57 L75 S76 D82	F56-K59 PolarHBondContact O-N 2.88Å; F56-K59 VanDerWaalsContact O-N 3.09Å; K57-K59 VanDerWaalsContact C-N 3.26Å; K57-K59 PolarHBondContact O-N 2.97Å; K59-L75 WeakPolarHBondContact O-CA 3.46Å; K59-S76 PolarHBondContact O-N 3.38Å; K59-D82 VanDerWaalsContact CE-CG 3.45Å; K59-D82 VanDerWaalsContact CE-OD1 3.29Å; K59-D82 WeakPolarHBondContact CE-OD1 3.4Å; K59-D82 WeakPolarHBondContact CE-OD2 3.24Å; K59-D82 IonicContact NZ-OD1 2.82Å; K59-D82 PolarHBondContact NZ-OD1 2.99Å; K59-D82 IonicContact NZ-OD2 2.83Å; K59-D82 PolarHBondContact NZ-OD2 3.16Å
60	S	96.6	Very high	95.4	Very high	4 Å²	4	61.3 Å²	61.3	3%	0.028	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	142	179.4	63.1	0	0	0	0	111.4	Y52 F56 Q74	Y52-S60 WeakPolarHBondContact CE1-O 3.46Å; Y52-S60 WeakPolarHBondContact CE1-OG 3.09Å; F56-S60 PolarHBondContact O-N 3.14Å; F56-S60 PolarHBondContact O-OG 3.39Å; S60-Q74 CarbonylContact C-O 3.46Å; S60-Q74 VanDerWaalsContact CA-O 3.29Å; S60-Q74 WeakPolarHBondContact CA-O 3.3Å
61	T	98	Very high	95.5	Very high	63 Å²	63	59 Å²	59	39%	0.387	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	119.4	171.4	-58.2	0	0	0	0	108.8	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.37Å; T61-M73 WeakPolarHBondContact O-CA 3.28Å; T61-Q74 PolarHBondContact N-O 3Å; T61-Q74 PolarHBondContact O-N 2.79Å
62	L	98.1	Very high	95.6	Very high	8 Å²	8	58.4 Å²	58.4	4%	0.042	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	135.1	177.9	-52.2	-176.6	0	0	0	110.5	W28 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.5Å; W28-L62 HydrophobicContact CG-CD2 4.04Å; I43-L62 HydrophobicContact CB-CB 4.13Å; I43-L62 HydrophobicContact CB-CD1 4.37Å; I43-L62 HydrophobicContact CD1-CB 4.14Å; I43-L62 HydrophobicContact CG2-CB 4.39Å; T50-L62 HydrophobicContact CG2-CB 4.02Å; Y52-L62 HydrophobicContact CE1-CD1 3.99Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 3.49Å; L62-Y72 WeakPolarHBondContact CA-O 3.4Å; L62-M73 HydrophobicContact CD2-CB 3.69Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.19Å
63	T	98	Very high	95.6	Very high	60 Å²	60	56.2 Å²	56.2	37%	0.368	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	160.9	176.7	54.2	0	0	0	0	110.5	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.37Å; T63-Y72 PolarHBondContact N-O 3.4Å; T63-Y72 PolarHBondContact O-N 3.37Å
64	V	97.4	Very high	95.7	Very high	28 Å²	28	58 Å²	58	17%	0.17	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	145.7	176.7	-69.7	0	0	0	0	110.9	F21 I43 P45 A71	F21-V64 HydrophobicContact CE1-CB 4.26Å; F21-V64 HydrophobicContact CE1-CG1 4.34Å; F21-V64 HydrophobicContact CZ-CB 4.35Å; F21-V64 HydrophobicContact CZ-CG1 4Å; I43-V64 HydrophobicContact CD1-CB 4.48Å; I43-V64 HydrophobicContact CD1-CG1 3.76Å; I43-V64 HydrophobicContact CD1-CG2 4.26Å; I43-V64 HydrophobicContact CG1-CG1 3.91Å; I43-V64 HydrophobicContact CG2-CG1 3.82Å; P45-V64 HydrophobicContact CB-CG1 4.06Å; P45-V64 HydrophobicContact CG-CG1 4.31Å; V64-A71 HydrophobicContact CG1-CB 4.17Å
65	D	96.6	Very high	95.9	Very high	54 Å²	54	51.1 Å²	51.1	29%	0.289	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	105.8	164.6	174.4	8.8	0	0	0	108.3	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.24Å; D65-S67 WeakPolarHBondContact OD1-CB 2.98Å; D65-S67 PolarHBondContact OD1-N 3.4Å; D65-S67 PolarHBondContact OD1-OG 2.85Å; D65-S67 PolarHBondContact OD2-OG 2.83Å; D65-S68 WeakPolarHBondContact CB-OG 3.43Å; D65-S68 PolarHBondContact OD1-N 2.97Å; D65-S68 WeakPolarHBondContact OD2-CB 2.97Å; D65-S68 PolarHBondContact OD2-OG 3Å; D65-S69 PolarHBondContact O-N 2.89Å; D65-S69 VanDerWaalsContact O-N 3.09Å; D65-T70 PolarHBondContact N-O 3.17Å; D65-T70 PolarHBondContact O-N 2.94Å; D65-Y72 HydrophobicContact CB-CE2 3.89Å
66	K	94.3	Very high	96.1	Very high	102 Å²	102	45.6 Å²	45.6	44%	0.443	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-31.4	-177.7	-55	-175	-162.3	-174.1	0	111.8	T22 P45 S46 S68 S69	T22-K66 HydrophobicContact CG2-CD 4.31Å; T22-K66 HydrophobicContact CG2-CG 4.49Å; P45-K66 WeakPolarHBondContact O-CD 3.47Å; P45-K66 WeakPolarHBondContact O-CE 3.23Å; S46-K66 PolarHBondContact O-NZ 2.82Å; K66-S68 VanDerWaalsContact C-N 3.35Å; K66-S68 PolarHBondContact O-N 3.42Å; K66-S69 PolarHBondContact O-N 2.83Å
67	S	93.6	Very high	96.2	Very high	111 Å²	111	48.9 Å²	48.9	78%	0.776	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-38.4	-177	73.3	0	0	0	0	111.9	D65	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.24Å; D65-S67 WeakPolarHBondContact OD1-CB 2.98Å; D65-S67 PolarHBondContact OD1-N 3.4Å; D65-S67 PolarHBondContact OD1-OG 2.85Å; D65-S67 PolarHBondContact OD2-OG 2.83Å
68	S	95.5	Very high	96.4	Very high	35 Å²	35	42.6 Å²	42.6	25%	0.245	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	1.6	177.2	66	0	0	0	0	113.7	D65 K66 T70	D65-S68 WeakPolarHBondContact CB-OG 3.43Å; D65-S68 PolarHBondContact OD1-N 2.97Å; D65-S68 WeakPolarHBondContact OD2-CB 2.97Å; D65-S68 PolarHBondContact OD2-OG 3Å; K66-S68 VanDerWaalsContact C-N 3.35Å; K66-S68 PolarHBondContact O-N 3.42Å; S68-T70 PolarHBondContact O-N 3.06Å; S68-T70 PolarHBondContact O-OG1 2.97Å; S68-T70 WeakPolarHBondContact OG-CB 3Å; S68-T70 PolarHBondContact OG-OG1 3.09Å
69	S	95.1	Very high	96.6	Very high	42 Å²	42	41.8 Å²	41.8	29%	0.294	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	42.1	-173.9	-63.7	0	0	0	0	112.8	A16 F21 D65 K66	A16-S69 PolarHBondContact N-O 2.93Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; D65-S69 PolarHBondContact O-N 2.89Å; D65-S69 VanDerWaalsContact O-N 3.09Å; K66-S69 PolarHBondContact O-N 2.83Å
70	T	96.9	Very high	96.6	Very high	9 Å²	9	43.4 Å²	43.4	6%	0.055	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.7	-173.1	-56.2	0	0	0	0	110.9	C14 K15 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.52Å; C14-T70 WeakPolarHBondContact O-CA 3.43Å; K15-T70 HydrophobicContact CB-CG2 4.49Å; D65-T70 PolarHBondContact N-O 3.17Å; D65-T70 PolarHBondContact O-N 2.94Å; S68-T70 PolarHBondContact O-N 3.06Å; S68-T70 PolarHBondContact O-OG1 2.97Å; S68-T70 WeakPolarHBondContact OG-CB 3Å; S68-T70 PolarHBondContact OG-OG1 3.09Å; T70-Y72 HydrophobicContact CG2-CD1 4.31Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 3.72Å; T70-Y72 HydrophobicContact CG2-CE2 3.74Å
71	A	97.1	Very high	96.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	150.8	167.8	0	0	0	0	0	110.1	S13 C14 F21 M26 W28 V64	S13-A71 CarbonylContact C-O 3.52Å; S13-A71 WeakPolarHBondContact CA-O 3.31Å; C14-A71 PolarHBondContact N-O 3.21Å; C14-A71 PolarHBondContact O-N 3.22Å; F21-A71 HydrophobicContact CE2-CB 4.33Å; F21-A71 HydrophobicContact CZ-CB 4.05Å; M26-A71 HydrophobicContact CB-CB 4.07Å; M26-A71 HydrophobicContact CE-CB 4.48Å; M26-A71 HydrophobicContact CG-CB 3.6Å; W28-A71 HydrophobicContact CZ2-CB 4.39Å; V64-A71 HydrophobicContact CG1-CB 4.17Å
72	Y	98.1	Very high	96.3	Very high	52 Å²	52	46.7 Å²	46.7	20%	0.204	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	145.3	178.3	-56.2	-89.7	0	0	0	111.1	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.38Å; K11-Y72 VanDerWaalsContact CE-CD1 3.45Å; K11-Y72 VanDerWaalsContact CE-CG 3.5Å; K11-Y72 HydrophobicContact CG-CD1 4.36Å; L12-Y72 CarbonylContact O-C 3.53Å; L12-Y72 WeakPolarHBondContact O-CA 3.42Å; S13-Y72 VanDerWaalsContact CB-CD1 3.48Å; S13-Y72 VanDerWaalsContact CB-CE1 3.44Å; L62-Y72 WeakPolarHBondContact CA-O 3.4Å; T63-Y72 PolarHBondContact N-O 3.4Å; T63-Y72 PolarHBondContact O-N 3.37Å; D65-Y72 HydrophobicContact CB-CE2 3.89Å; T70-Y72 HydrophobicContact CG2-CD1 4.31Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 3.72Å; T70-Y72 HydrophobicContact CG2-CE2 3.74Å
73	M	98.1	Very high	96.3	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120	167.8	176.8	178.2	73.3	0	0	108.8	L12 W28 I40 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.77Å; L12-M73 PolarHBondContact N-O 2.02Å; L12-M73 PolarHBondContact O-N 3.31Å; W28-M73 HydrophobicContact CB-SD 3.81Å; W28-M73 HydrophobicContact CD2-CB 3.61Å; W28-M73 HydrophobicContact CD2-CE 4.35Å; W28-M73 HydrophobicContact CD2-CG 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.02Å; W28-M73 HydrophobicContact CE3-CB 3.87Å; W28-M73 HydrophobicContact CE3-CE 3.78Å; W28-M73 HydrophobicContact CE3-SD 4.07Å; W28-M73 HydrophobicContact CG-CB 4.12Å; W28-M73 HydrophobicContact CG-SD 3.94Å; W28-M73 HydrophobicContact CH2-CB 4.09Å; W28-M73 HydrophobicContact CZ2-CB 3.86Å; W28-M73 HydrophobicContact CZ3-CB 4.1Å; W28-M73 HydrophobicContact CZ3-CE 4.3Å; I40-M73 HydrophobicContact CD1-CE 3.88Å; I40-M73 HydrophobicContact CD1-SD 3.59Å; I40-M73 VanDerWaalsContact CD1-SD 3.59Å; I40-M73 HydrophobicContact CG2-SD 3.96Å; T61-M73 WeakPolarHBondContact O-CA 3.28Å; L62-M73 HydrophobicContact CD2-CB 3.69Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.19Å; M73-L75 HydrophobicContact CE-CD1 3.95Å; M73-L75 HydrophobicContact CE-CD2 4.06Å; M73-L75 HydrophobicContact CE-CG 3.96Å; M73-L75 HydrophobicContact CG-CD2 4.34Å; M73-L75 HydrophobicContact CG-CG 4.41Å; M73-L75 HydrophobicContact SD-CD2 4.07Å; M73-L75 HydrophobicContact SD-CG 4.47Å; M73-Y86 HydrophobicContact CE-CD1 3.49Å; M73-Y86 VanDerWaalsContact CE-CD1 3.49Å; M73-Y86 HydrophobicContact CE-CE1 4.14Å; M73-Y86 HydrophobicContact CE-CG 4.13Å
74	Q	98.1	Very high	96.2	Very high	82 Å²	82	45.1 Å²	45.1	38%	0.383	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.3	169.1	-174.4	173.7	12.1	0	0	109.1	V10 S60 T61	V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 WeakPolarHBondContact O-CA 3.49Å; S60-Q74 CarbonylContact C-O 3.46Å; S60-Q74 VanDerWaalsContact CA-O 3.29Å; S60-Q74 WeakPolarHBondContact CA-O 3.3Å; T61-Q74 PolarHBondContact N-O 3Å; T61-Q74 PolarHBondContact O-N 2.79Å
75	L	97.2	Very high	96.3	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133	169.6	-61.9	167.9	0	0	0	108.4	S9 V10 K59 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.6Å; S9-L75 WeakPolarHBondContact CA-O 3.38Å; S9-L75 VanDerWaalsContact CB-O 3.24Å; S9-L75 WeakPolarHBondContact CB-O 3.19Å; V10-L75 HydrophobicContact CG1-CB 4.13Å; V10-L75 HydrophobicContact CG1-CD1 4.15Å; V10-L75 PolarHBondContact N-O 3.09Å; V10-L75 PolarHBondContact O-N 3.11Å; K59-L75 WeakPolarHBondContact O-CA 3.46Å; M73-L75 HydrophobicContact CE-CD1 3.95Å; M73-L75 HydrophobicContact CE-CD2 4.06Å; M73-L75 HydrophobicContact CE-CG 3.96Å; M73-L75 HydrophobicContact CG-CD2 4.34Å; M73-L75 HydrophobicContact CG-CG 4.41Å; M73-L75 HydrophobicContact SD-CD2 4.07Å; M73-L75 HydrophobicContact SD-CG 4.47Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CB-CG 4.45Å; L75-L78 HydrophobicContact CD1-CD2 4.16Å; L75-Y86 HydrophobicContact CD1-CD1 4.09Å; L75-Y86 HydrophobicContact CD1-CE1 3.54Å; L75-Y86 HydrophobicContact CD1-CE2 4.11Å; L75-Y86 HydrophobicContact CD2-CE1 4.5Å
76	S	96.6	Very high	96.3	Very high	32 Å²	32	43.1 Å²	43.1	22%	0.224	25%	0.252	C	S	.	.			trans	-116.7	153.7	-178.1	-63.6	0	0	0	0	112.1	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.33Å; S9-S76 PolarHBondContact OG-OG 2.82Å; K59-S76 PolarHBondContact O-N 3.38Å; S76-L78 PolarHBondContact O-N 2.97Å
77	S	95.9	Very high	96.5	Very high	82 Å²	82	40.4 Å²	40.4	57%	0.573	24%	0.24	S	C	*	.	S	Bend	trans	53.3	52.3	175.8	-53.9	0	0	0	0	112.1	A8	A8-S77 PolarHBondContact O-N 2.81Å
78	L	96.3	Very high	96.6	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	21%	0.207	C	C	.	.			trans	-62.9	139.5	-174	-71.4	171.7	0	0	0	112	V4 P6 G7 A8 V10 L75 S76 D82 V109	V4-L78 HydrophobicContact CB-CD1 4.4Å; V4-L78 HydrophobicContact CG2-CD1 3.48Å; V4-L78 VanDerWaalsContact CG2-CD1 3.48Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.44Å; G7-L78 PolarHBondContact N-O 2.86Å; A8-L78 WeakPolarHBondContact O-CB 3.11Å; A8-L78 WeakPolarHBondContact O-CG 3.31Å; A8-L78 PolarHBondContact O-N 3.05Å; V10-L78 HydrophobicContact CB-CD1 4.07Å; V10-L78 HydrophobicContact CG1-CD1 3.84Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CB-CG 4.45Å; L75-L78 HydrophobicContact CD1-CD2 4.16Å; S76-L78 PolarHBondContact O-N 2.97Å; L78-D82 WeakPolarHBondContact CA-OD2 3.35Å; L78-D82 HydrophobicContact CD2-CB 3.6Å; L78-V109 HydrophobicContact CB-CG1 4.27Å; L78-V109 HydrophobicContact CB-CG2 4Å; L78-V109 HydrophobicContact CD1-CG2 4.47Å
79	T	95.9	Very high	96.4	Very high	58 Å²	58	34.1 Å²	34.1	36%	0.356	20%	0.196	S	C	.	.			trans	-119.6	168.3	173.7	66.4	0	0	0	0	110.1	E81 D82 V109	T79-E81 PolarHBondContact O-N 2.89Å; T79-E81 VanDerWaalsContact O-N 3.09Å; T79-D82 PolarHBondContact N-OD2 3.45Å; T79-D82 WeakPolarHBondContact O-CB 3.19Å; T79-D82 PolarHBondContact O-N 3.46Å; T79-D82 PolarHBondContact OG1-OD2 2.88Å; T79-V109 WeakPolarHBondContact O-CB 3.05Å; T79-V109 WeakPolarHBondContact O-CG2 3.41Å
80	S	94.7	Very high	96.1	Very high	88 Å²	88	32.3 Å²	32.3	62%	0.615	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-53.1	-32.4	176.4	53.3	0	0	0	0	112.8	D82 S83	S80-D82 PolarHBondContact O-N 2.94Å; S80-S83 WeakPolarHBondContact O-CB 3.47Å; S80-S83 PolarHBondContact O-N 2.9Å; S80-S83 VanDerWaalsContact O-N 3.11Å; S80-S83 PolarHBondContact O-OG 2.86Å; S80-S83 VanDerWaalsContact O-OG 3.05Å
81	E	93.2	Very high	95	Very high	130 Å²	130	35.3 Å²	35.3	61%	0.607	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-67.3	-12	176.3	-60.2	-173.4	177.6	0	0	114.6	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.95Å; R32-E81 PolarHBondContact NE-O 2.86Å; R32-E81 PolarHBondContact NH2-O 2.85Å; T79-E81 PolarHBondContact O-N 2.89Å; T79-E81 VanDerWaalsContact O-N 3.09Å; E81-S83 VanDerWaalsContact C-N 3.35Å
82	D	95.6	Very high	93.3	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.027	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-87.3	-6	174	-59.2	-46.6	0	0	0	113.7	K30 K59 L78 T79 S80 A84 Y86 V109	K30-D82 IonicContact NZ-OD1 3.79Å; K30-D82 PolarHBondContact NZ-OD1 3.14Å; K59-D82 VanDerWaalsContact CE-CG 3.45Å; K59-D82 VanDerWaalsContact CE-OD1 3.29Å; K59-D82 WeakPolarHBondContact CE-OD1 3.4Å; K59-D82 WeakPolarHBondContact CE-OD2 3.24Å; K59-D82 IonicContact NZ-OD1 2.82Å; K59-D82 PolarHBondContact NZ-OD1 2.99Å; K59-D82 IonicContact NZ-OD2 2.83Å; K59-D82 PolarHBondContact NZ-OD2 3.16Å; L78-D82 WeakPolarHBondContact CA-OD2 3.35Å; L78-D82 HydrophobicContact CD2-CB 3.6Å; T79-D82 PolarHBondContact N-OD2 3.45Å; T79-D82 WeakPolarHBondContact O-CB 3.19Å; T79-D82 PolarHBondContact O-N 3.46Å; T79-D82 PolarHBondContact OG1-OD2 2.88Å; S80-D82 PolarHBondContact O-N 2.94Å; D82-A84 PolarHBondContact O-N 3.14Å; D82-A84 VanDerWaalsContact O-N 3.09Å; D82-Y86 WeakPolarHBondContact O-CE2 3.42Å; D82-Y86 PolarHBondContact O-OH 2.78Å; D82-V109 HydrophobicContact CB-CG2 4.26Å
83	S	97.3	Very high	91.3	Very high	35 Å²	35	37.8 Å²	37.8	25%	0.245	22%	0.22	C	C	.	.			trans	-63	112.6	172.7	-57.4	0	0	0	0	110	S80 E81 V107 V109	S80-S83 WeakPolarHBondContact O-CB 3.47Å; S80-S83 PolarHBondContact O-N 2.9Å; S80-S83 VanDerWaalsContact O-N 3.11Å; S80-S83 PolarHBondContact O-OG 2.86Å; S80-S83 VanDerWaalsContact O-OG 3.05Å; E81-S83 VanDerWaalsContact C-N 3.35Å; S83-V107 CarbonylContact C-O 3.58Å; S83-V107 VanDerWaalsContact CA-O 3.25Å; S83-V107 WeakPolarHBondContact CA-O 3.49Å; S83-V109 PolarHBondContact OG-N 2.98Å
84	A	97.5	Very high	89.2	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	166.6	-171.2	0	0	0	0	0	110.7	K30 Q31 R32 D82 Y86 V107	K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.57Å; Q31-A84 WeakPolarHBondContact O-CA 3.45Å; Q31-A84 VanDerWaalsContact O-CB 3.26Å; Q31-A84 WeakPolarHBondContact O-CB 3.43Å; R32-A84 HydrophobicContact CG-CB 4.12Å; D82-A84 PolarHBondContact O-N 3.14Å; D82-A84 VanDerWaalsContact O-N 3.09Å; A84-Y86 HydrophobicContact CB-CD2 4.38Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; A84-Y86 WeakPolarHBondContact O-CD2 3.25Å; A84-V107 PolarHBondContact N-O 3.49Å; A84-V107 PolarHBondContact O-N 2.8Å
85	V	98.1	Very high	87.1	Confident	36 Å²	36	48.4 Å²	48.4	22%	0.218	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	128.8	162.6	-171.1	0	0	0	0	108.4	Q31 Y87 L106	Q31-V85 PolarHBondContact N-O 3.33Å; Q31-V85 PolarHBondContact O-N 2.95Å; V85-Y87 HydrophobicContact CB-CE2 3.82Å; V85-Y87 HydrophobicContact CG1-CD1 4.42Å; V85-Y87 HydrophobicContact CG1-CD2 4.27Å; V85-Y87 HydrophobicContact CG1-CE1 3.76Å; V85-Y87 HydrophobicContact CG1-CE2 3.6Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.46Å; V85-L106 HydrophobicContact CG2-CB 4.47Å; V85-L106 HydrophobicContact CG2-CD1 4.11Å
86	Y	98	Very high	85.2	Confident	3 Å²	3	50.6 Å²	50.6	1%	0.012	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.2	178.1	-68.8	-92.5	0	0	0	109.7	L12 V29 K30 I40 M73 L75 D82 A84 G104 T105 V107	L12-Y86 VanDerWaalsContact CD1-CB 3.43Å; L12-Y86 HydrophobicContact CD1-CD1 4.44Å; L12-Y86 HydrophobicContact CD1-CD2 4.18Å; L12-Y86 HydrophobicContact CD1-CG 3.77Å; V29-Y86 CarbonylContact O-C 3.46Å; V29-Y86 WeakPolarHBondContact O-CA 3.38Å; K30-Y86 HydrophobicContact CB-CD1 4.19Å; K30-Y86 HydrophobicContact CB-CE1 3.94Å; K30-Y86 HydrophobicContact CD-CE1 3.93Å; K30-Y86 WeakPolarHBondContact CE-OH 3.39Å; K30-Y86 HydrophobicContact CG-CD1 4.33Å; K30-Y86 HydrophobicContact CG-CE1 3.76Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.9Å; M73-Y86 HydrophobicContact CE-CD1 3.49Å; M73-Y86 VanDerWaalsContact CE-CD1 3.49Å; M73-Y86 HydrophobicContact CE-CE1 4.14Å; M73-Y86 HydrophobicContact CE-CG 4.13Å; L75-Y86 HydrophobicContact CD1-CD1 4.09Å; L75-Y86 HydrophobicContact CD1-CE1 3.54Å; L75-Y86 HydrophobicContact CD1-CE2 4.11Å; L75-Y86 HydrophobicContact CD2-CE1 4.5Å; D82-Y86 WeakPolarHBondContact O-CE2 3.42Å; D82-Y86 PolarHBondContact O-OH 2.78Å; A84-Y86 HydrophobicContact CB-CD2 4.38Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; A84-Y86 WeakPolarHBondContact O-CD2 3.25Å; Y86-G104 CarbonylContact O-C 3.6Å; Y86-G104 VanDerWaalsContact O-CA 3.26Å; Y86-G104 WeakPolarHBondContact O-CA 3.46Å; Y86-T105 PolarHBondContact N-O 2.8Å; Y86-T105 PolarHBondContact O-N 3.41Å; Y86-V107 HydrophobicContact CD2-CB 3.97Å; Y86-V107 HydrophobicContact CD2-CG2 3.67Å; Y86-V107 HydrophobicContact CE2-CB 3.82Å; Y86-V107 HydrophobicContact CE2-CG2 3.97Å
87	Y	97.2	Very high	83.3	Confident	45 Å²	45	59 Å²	59	18%	0.176	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	146.9	179.9	-56.5	-88	0	0	0	110.1	W28 V29 Q31 V85 W101	W28-Y87 WeakPolarHBondContact CA-O 3.37Å; V29-Y87 PolarHBondContact N-O 2.92Å; V29-Y87 PolarHBondContact O-N 2.95Å; Q31-Y87 HydrophobicContact CB-CD2 4.37Å; Q31-Y87 HydrophobicContact CB-CE2 3.71Å; Q31-Y87 PolarHBondContact OE1-OH 2.99Å; V85-Y87 HydrophobicContact CB-CE2 3.82Å; V85-Y87 HydrophobicContact CG1-CD1 4.42Å; V85-Y87 HydrophobicContact CG1-CD2 4.27Å; V85-Y87 HydrophobicContact CG1-CE1 3.76Å; V85-Y87 HydrophobicContact CG1-CE2 3.6Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.46Å; Y87-W101 HydrophobicContact CD1-CE3 4.38Å; Y87-W101 HydrophobicContact CD2-CZ3 4.44Å; Y87-W101 HydrophobicContact CG-CE3 4.04Å; Y87-W101 HydrophobicContact CG-CZ3 4.13Å
88	C	95.5	Very high	81.7	Confident	13 Å²	13	57.8 Å²	57.8	9%	0.088	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	150.4	157.6	61	0	0	0	0	109.2	C14 M26 H27 W28 G102	C14-C88 HydrophobicContact CB-CB 3.4Å; C14-C88 WeakPolarHBondContact CB-SG 3.02Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.78Å; M26-C88 HydrophobicContact SD-CB 3.79Å; H27-C88 CarbonylContact O-C 3.58Å; H27-C88 VanDerWaalsContact O-CA 3.23Å; H27-C88 WeakPolarHBondContact O-CA 3.29Å; W28-C88 HydrophobicContact CD2-CB 4.39Å; W28-C88 HydrophobicContact CE3-CB 4.22Å; W28-C88 HydrophobicContact CH2-CB 4.29Å; W28-C88 HydrophobicContact CZ2-CB 4.44Å; W28-C88 HydrophobicContact CZ3-CB 4.17Å; C88-G102 PolarHBondContact O-N 2.59Å
89	A	93.1	Very high	80.5	Confident	2 Å²	2	60 Å²	60	2%	0.017	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	150.2	174.6	0	0	0	0	0	111	H27 F98 Y100 W101	H27-A89 PolarHBondContact CD2-O 2.66Å; H27-A89 PolarHBondContact N-O 2.87Å; H27-A89 PolarHBondContact O-N 3.31Å; A89-F98 HydrophobicContact CB-CB 4.09Å; A89-F98 HydrophobicContact CB-CD1 3.67Å; A89-F98 HydrophobicContact CB-CG 4.29Å; A89-Y100 CarbonylContact C-O 3.57Å; A89-Y100 WeakPolarHBondContact CA-O 3.39Å; A89-Y100 WeakPolarHBondContact CB-O 3.41Å; A89-W101 HydrophobicContact CB-CD2 3.83Å; A89-W101 HydrophobicContact CB-CE3 4.09Å; A89-W101 HydrophobicContact CB-CG 4.21Å; A89-W101 HydrophobicContact CB-CH2 4.46Å; A89-W101 HydrophobicContact CB-CZ2 4.24Å; A89-W101 HydrophobicContact CB-CZ3 4.4Å
90	S	87.7	Confident	79.9	Confident	4 Å²	4	63.8 Å²	63.8	3%	0.028	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	155.3	176.6	66.2	0	0	0	0	112.2	Y19 F98 A99 Y100	Y19-S90 VanDerWaalsContact OH-CB 3.28Å; Y19-S90 WeakPolarHBondContact OH-CB 3.35Å; Y19-S90 PolarHBondContact OH-OG 2.86Å; S90-F98 CarbonylContact O-C 3.54Å; S90-A99 PolarHBondContact O-N 3.01Å; S90-A99 VanDerWaalsContact O-N 3.13Å; S90-Y100 PolarHBondContact N-O 3.09Å; S90-Y100 PolarHBondContact O-N 3.3Å
91	Y	74.3	Confident	79.7	Confident	71 Å²	71	64.5 Å²	64.5	28%	0.278	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	143.8	176.6	-163.6	-100.4	0	0	0	111	Y24 Y95 A96	Y24-Y91 HydrophobicContact CD1-CD1 4.39Å; Y24-Y91 WeakPolarHBondContact CD1-O 3.15Å; Y24-Y91 WeakPolarHBondContact CE1-O 2.98Å; Y91-Y95 VanDerWaalsContact OH-CA 3.29Å; Y91-Y95 WeakPolarHBondContact OH-CA 3.17Å; Y91-Y95 PolarHBondContact OH-N 3.39Å; Y91-A96 WeakPolarHBondContact CD2-O 3.48Å; Y91-A96 VanDerWaalsContact CE2-O 3.3Å; Y91-A96 WeakPolarHBondContact CE2-O 3.33Å
92	G	61.1	Low	79.7	Confident	6 Å²	6	59.6 Å²	59.6	6%	0.062	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	144.3	168	0	0	0	0	0	109.3	S94	G92-S94 PolarHBondContact O-N 2.89Å
93	S	55.7	Low	79.6	Confident	98 Å²	98	68.4 Å²	68.4	69%	0.685	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	10.3	-169.2	56.4	0	0	0	0	118.6
94	S	54.4	Low	79.5	Confident	82 Å²	82	68 Å²	68	57%	0.573	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.5	88.7	-177.1	48.3	0	0	0	0	112.1	G92 A96	G92-S94 PolarHBondContact O-N 2.89Å; S94-A96 PolarHBondContact O-N 3.48Å
95	Y	53.6	Low	79.5	Confident	223 Å²	223	70.1 Å²	70.1	88%	0.875	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	4.8	161	-62.1	-81.1	0	0	0	118.8	Y91	Y91-Y95 VanDerWaalsContact OH-CA 3.29Å; Y91-Y95 WeakPolarHBondContact OH-CA 3.17Å; Y91-Y95 PolarHBondContact OH-N 3.39Å
96	A	56.9	Low	79.5	Confident	47 Å²	47	72.2 Å²	72.2	39%	0.388	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	107.4	-178.7	0	0	0	0	0	109.4	Y91 S94 F98	Y91-A96 WeakPolarHBondContact CD2-O 3.48Å; Y91-A96 VanDerWaalsContact CE2-O 3.3Å; Y91-A96 WeakPolarHBondContact CE2-O 3.33Å; S94-A96 PolarHBondContact O-N 3.48Å; A96-F98 PolarHBondContact O-N 3.26Å
97	W	57.2	Low	79.5	Confident	208 Å²	208	72.1 Å²	72.1	79%	0.788	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.5	125.3	169.5	-56.7	82.7	0	0	0	108.8
98	F	63.3	Low	79.5	Confident	58 Å²	58	72.4 Å²	72.4	25%	0.254	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	61.3	54.8	-179.3	-44.7	-73.3	0	0	0	115.8	H27 A89 S90 A96 Y100 W101	H27-F98 HydrophobicContact CB-CD1 4.15Å; H27-F98 HydrophobicContact CB-CE1 3.57Å; H27-F98 AromaticContact CD2-CD1 3.9Å; H27-F98 AromaticContact CD2-CE1 3.71Å; H27-F98 AromaticContact CG-CE1 3.46Å; H27-F98 VanDerWaalsContact CG-CE1 3.46Å; H27-F98 AromaticContact ND1-CE1 3.83Å; A89-F98 HydrophobicContact CB-CB 4.09Å; A89-F98 HydrophobicContact CB-CD1 3.67Å; A89-F98 HydrophobicContact CB-CG 4.29Å; S90-F98 CarbonylContact O-C 3.54Å; A96-F98 PolarHBondContact O-N 3.26Å; F98-Y100 PolarHBondContact O-N 3Å; F98-W101 HydrophobicContact CB-CZ2 3.69Å; F98-W101 VanDerWaalsContact CB-NE1 3.33Å; F98-W101 HydrophobicContact CD1-CZ2 4.39Å; F98-W101 HydrophobicContact CD2-CZ2 4.21Å; F98-W101 AromaticContact CG-CZ2 3.86Å; F98-W101 HydrophobicContact CG-CZ2 3.86Å; F98-W101 VanDerWaalsContact O-CD1 3.29Å; F98-W101 PolarHBondContact O-NE1 3.28Å
99	A	70.9	Confident	79.5	Confident	47 Å²	47	72.2 Å²	72.2	39%	0.388	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	-26.7	179.8	0	0	0	0	0	114.1	S90	S90-A99 PolarHBondContact O-N 3.01Å; S90-A99 VanDerWaalsContact O-N 3.13Å
100	Y	83.1	Confident	79.5	Confident	137 Å²	137	77.5 Å²	77.5	54%	0.537	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131.2	179.1	-57.6	-77.9	0	0	0	110.8	A89 S90 F98	A89-Y100 CarbonylContact C-O 3.57Å; A89-Y100 WeakPolarHBondContact CA-O 3.39Å; A89-Y100 WeakPolarHBondContact CB-O 3.41Å; S90-Y100 PolarHBondContact N-O 3.09Å; S90-Y100 PolarHBondContact O-N 3.3Å; F98-Y100 PolarHBondContact O-N 3Å
101	W	91.1	Very high	79	Confident	103 Å²	103	81.2 Å²	81.2	39%	0.39	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	138.3	176.2	-72.5	74.5	0	0	0	110.6	V29 L37 Y87 A89 F98	V29-W101 HydrophobicContact CB-CH2 4.15Å; V29-W101 HydrophobicContact CB-CZ3 3.98Å; V29-W101 HydrophobicContact CG1-CH2 4.13Å; V29-W101 HydrophobicContact CG1-CZ3 4.18Å; V29-W101 HydrophobicContact CG2-CH2 3.84Å; V29-W101 HydrophobicContact CG2-CZ3 4.05Å; L37-W101 HydrophobicContact CD1-CH2 3.81Å; L37-W101 HydrophobicContact CD1-CZ2 4.36Å; L37-W101 HydrophobicContact CD1-CZ3 4.41Å; Y87-W101 HydrophobicContact CD1-CE3 4.38Å; Y87-W101 HydrophobicContact CD2-CZ3 4.44Å; Y87-W101 HydrophobicContact CG-CE3 4.04Å; Y87-W101 HydrophobicContact CG-CZ3 4.13Å; A89-W101 HydrophobicContact CB-CD2 3.83Å; A89-W101 HydrophobicContact CB-CE3 4.09Å; A89-W101 HydrophobicContact CB-CG 4.21Å; A89-W101 HydrophobicContact CB-CH2 4.46Å; A89-W101 HydrophobicContact CB-CZ2 4.24Å; A89-W101 HydrophobicContact CB-CZ3 4.4Å; F98-W101 HydrophobicContact CB-CZ2 3.69Å; F98-W101 VanDerWaalsContact CB-NE1 3.33Å; F98-W101 HydrophobicContact CD1-CZ2 4.39Å; F98-W101 HydrophobicContact CD2-CZ2 4.21Å; F98-W101 AromaticContact CG-CZ2 3.86Å; F98-W101 HydrophobicContact CG-CZ2 3.86Å; F98-W101 VanDerWaalsContact O-CD1 3.29Å; F98-W101 PolarHBondContact O-NE1 3.28Å
102	G	92.3	Very high	79.3	Confident	28 Å²	28	81.7 Å²	81.7	29%	0.289	44%	0.435	S	S	.	.			trans	-68.3	161.1	164.4	0	0	0	0	0	111.2	C88 G104	C88-G102 PolarHBondContact O-N 2.59Å; G102-G104 PolarHBondContact O-N 3.44Å; G102-G104 VanDerWaalsContact O-N 3.08Å
103	Q	93.7	Very high	80.3	Confident	189 Å²	189	85.9 Å²	85.9	88%	0.883	46%	0.455	S	S	*	.			trans	-63.3	-15.8	179	-65.9	-64	-50	0	0	113.8
104	G	95.4	Very high	81.8	Confident	28 Å²	28	85.2 Å²	85.2	29%	0.289	44%	0.442	S	S	.	.			trans	84.3	148.7	-176.6	0	0	0	0	0	112.8	Y86 G102	Y86-G104 CarbonylContact O-C 3.6Å; Y86-G104 VanDerWaalsContact O-CA 3.26Å; Y86-G104 WeakPolarHBondContact O-CA 3.46Å; G102-G104 PolarHBondContact O-N 3.44Å; G102-G104 VanDerWaalsContact O-N 3.08Å
105	T	97.4	Very high	83.5	Confident	44 Å²	44	85.4 Å²	85.4	27%	0.27	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	116.6	175.5	-61.3	0	0	0	0	108.9	E2 L12 Y86 V107	E2-T105 HydrophobicContact CG-CG2 4.35Å; L12-T105 HydrophobicContact CD2-CG2 3.98Å; Y86-T105 PolarHBondContact N-O 2.8Å; Y86-T105 PolarHBondContact O-N 3.41Å; T105-V107 PolarHBondContact O-N 3.22Å
106	L	97.6	Very high	85.5	Confident	81 Å²	81	76.3 Å²	76.3	42%	0.424	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	123.5	168.9	177.4	64.3	0	0	0	109.3	A1 E2 V85	A1-L106 CarbonylContact C-O 3.51Å; A1-L106 WeakPolarHBondContact CA-O 3.34Å; A1-L106 HydrophobicContact CB-CB 4.01Å; E2-L106 PolarHBondContact N-O 3.23Å; V85-L106 HydrophobicContact CG2-CB 4.47Å; V85-L106 HydrophobicContact CG2-CD1 4.11Å
107	V	97.5	Very high	87.5	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.5	167.2	179.8	0	0	0	0	107.3	E2 V4 V10 L12 S83 A84 Y86 T105	E2-V107 HydrophobicContact CB-CG2 4.32Å; E2-V107 CarbonylContact O-C 3.58Å; E2-V107 WeakPolarHBondContact O-CA 3.17Å; V4-V107 HydrophobicContact CG2-CG1 4.19Å; V10-V107 HydrophobicContact CG1-CG1 4.37Å; V10-V107 HydrophobicContact CG1-CG2 4.45Å; L12-V107 HydrophobicContact CD1-CG2 4.2Å; L12-V107 HydrophobicContact CD2-CG2 4Å; S83-V107 CarbonylContact C-O 3.58Å; S83-V107 VanDerWaalsContact CA-O 3.25Å; S83-V107 WeakPolarHBondContact CA-O 3.49Å; A84-V107 PolarHBondContact N-O 3.49Å; A84-V107 PolarHBondContact O-N 2.8Å; Y86-V107 HydrophobicContact CD2-CB 3.97Å; Y86-V107 HydrophobicContact CD2-CG2 3.67Å; Y86-V107 HydrophobicContact CE2-CB 3.82Å; Y86-V107 HydrophobicContact CE2-CG2 3.97Å; T105-V107 PolarHBondContact O-N 3.22Å
108	T	97.4	Very high	89.8	Confident	52 Å²	52	68.4 Å²	68.4	32%	0.319	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.3	177	-58.7	0	0	0	0	108.9	E2 L3 V4	E2-T108 PolarHBondContact O-N 3.48Å; L3-T108 WeakPolarHBondContact CA-O 3.26Å; L3-T108 HydrophobicContact CD1-CG2 3.74Å; V4-T108 PolarHBondContact N-O 2.63Å
109	V	96.5	Very high	92.1	Very high	9 Å²	9	69.3 Å²	69.3	6%	0.055	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	111.5	178.2	-168.5	0	0	0	0	108.8	V4 P6 L78 T79 D82 S83	V4-V109 HydrophobicContact CG2-CB 4.33Å; V4-V109 HydrophobicContact CG2-CG1 4.37Å; V4-V109 HydrophobicContact CG2-CG2 3.78Å; V4-V109 VanDerWaalsContact O-CA 3.31Å; V4-V109 WeakPolarHBondContact O-CA 3.46Å; P6-V109 HydrophobicContact CB-CG1 4.39Å; P6-V109 HydrophobicContact CG-CG1 4.15Å; L78-V109 HydrophobicContact CB-CG1 4.27Å; L78-V109 HydrophobicContact CB-CG2 4Å; L78-V109 HydrophobicContact CD1-CG2 4.47Å; T79-V109 WeakPolarHBondContact O-CB 3.05Å; T79-V109 WeakPolarHBondContact O-CG2 3.41Å; D82-V109 HydrophobicContact CB-CG2 4.26Å; S83-V109 PolarHBondContact OG-N 2.98Å
110	S	91.6	Very high	94	Very high	113 Å²	113	71.3 Å²	71.3	79%	0.79	39%	0.386	S	S	*	.			trans	-144.2	0	-176.7	67.8	0	0	0	0	112.6	L3 V4	L3-S110 WeakPolarHBondContact CD1-OG 3.38Å; V4-S110 PolarHBondContact O-N 2.65Å; V4-S110 VanDerWaalsContact O-N 3.14Å

Retrieved 110 of 110 residues in 26.1 ms (Link to these results)

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