X5J5M9_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5M9, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 109 aa.

						>X5J5M9_MOUSE|X5J5M9
AELMKPGASVKISCKATGYTFSSYWIEWVKQRPGHGLEWIGEILPGSGSTNYNEKFKGKATFTADTSSNTAYMQLSSLTSEDSAVYYCARWRDYRYAYWGQGTLVTVSA
					

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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	57.9	Low	87.5	Confident	115 Å²	115	81.8 Å²	81.8	95%	0.95	48%	0.481	S	S	*	.				0	124.1	0	0	0	0	0	0	106.8	L104	A1-L104 HydrophobicContact CB-CB 4.49Å; A1-L104 HydrophobicContact CB-CD2 3.95Å; A1-L104 HydrophobicContact CB-CG 4.25Å
2	E	65.4	Low	88.3	Confident	127 Å²	127	75.5 Å²	75.5	59%	0.593	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	123.5	179.8	-143.4	-179.1	157.7	0	0	107.7	M4 T106	E2-M4 HydrophobicContact CB-CE 3.61Å; E2-M4 HydrophobicContact CG-CE 3.2Å; E2-M4 PolarHBondContact O-N 3.01Å; E2-M4 WeakPolarHBondContact OE1-CE 3.44Å; E2-T106 PolarHBondContact O-N 3.17Å
3	L	84.9	Confident	89	Confident	123 Å²	123	75.4 Å²	75.4	64%	0.644	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	110	175.9	-179.3	64.9	0	0	0	108.4	T106	L3-T106 WeakPolarHBondContact CA-O 3.49Å; L3-T106 HydrophobicContact CD1-CG2 3.85Å
4	M	90.5	Very high	89.4	Confident	22 Å²	22	71.1 Å²	71.1	11%	0.108	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	149	-178.7	-68.4	-66.3	116.7	0	0	111	E2 A8 L78 T106 V107 S108	E2-M4 HydrophobicContact CB-CE 3.61Å; E2-M4 HydrophobicContact CG-CE 3.2Å; E2-M4 PolarHBondContact O-N 3.01Å; E2-M4 WeakPolarHBondContact OE1-CE 3.44Å; M4-A8 HydrophobicContact SD-CB 4.29Å; M4-L78 HydrophobicContact CB-CD1 3.91Å; M4-L78 HydrophobicContact CG-CD1 3.84Å; M4-T106 PolarHBondContact N-O 2.91Å; M4-V107 HydrophobicContact CB-CG2 4.25Å; M4-V107 CarbonylContact O-C 3.47Å; M4-V107 WeakPolarHBondContact O-CA 3.32Å; M4-S108 PolarHBondContact O-N 2.61Å
5	K	92.5	Very high	89.8	Confident	163 Å²	163	76.5 Å²	76.5	71%	0.709	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-85.7	150	167.7	-63.3	-178	-178.1	-179.9	0	110	G7 A8	K5-G7 PolarHBondContact O-N 3.41Å; K5-A8 WeakPolarHBondContact O-CB 3.29Å; K5-A8 PolarHBondContact O-N 3.22Å; K5-A8 VanDerWaalsContact O-N 3.12Å
6	P	94.4	Very high	89.9	Confident	66 Å²	66	72.2 Å²	72.2	43%	0.429	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	140.3	167.8	-29	35	0	0	0	112.1	A8 L78 V107 S108	P6-A8 PolarHBondContact O-N 3.33Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.4Å; P6-V107 HydrophobicContact CG-CG1 4.32Å; P6-S108 WeakPolarHBondContact CD-O 3.48Å; P6-S108 VanDerWaalsContact CD-OG 3.28Å; P6-S108 WeakPolarHBondContact CD-OG 3.36Å; P6-S108 VanDerWaalsContact CG-O 3.24Å; P6-S108 WeakPolarHBondContact CG-O 3.23Å
7	G	93.7	Very high	89.8	Confident	52 Å²	52	74.6 Å²	74.6	54%	0.536	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	-12.1	-176.8	0	0	0	0	0	115	K5 L78	K5-G7 PolarHBondContact O-N 3.41Å; G7-L78 PolarHBondContact N-O 2.96Å
8	A	95	Very high	89.6	Confident	30 Å²	30	75.4 Å²	75.4	25%	0.248	46%	0.459	C	S	.	.			trans	-66.2	168.4	174.6	0	0	0	0	0	111.9	M4 K5 P6 S77 L78	M4-A8 HydrophobicContact SD-CB 4.29Å; K5-A8 WeakPolarHBondContact O-CB 3.29Å; K5-A8 PolarHBondContact O-N 3.22Å; K5-A8 VanDerWaalsContact O-N 3.12Å; P6-A8 PolarHBondContact O-N 3.33Å; A8-S77 PolarHBondContact O-N 3.33Å; A8-L78 WeakPolarHBondContact O-CB 3.22Å; A8-L78 VanDerWaalsContact O-CG 3.32Å; A8-L78 WeakPolarHBondContact O-CG 3.37Å; A8-L78 PolarHBondContact O-N 3.18Å
9	S	95.8	Very high	89.4	Confident	63 Å²	63	74.4 Å²	74.4	44%	0.441	45%	0.447	S	S	.	.			trans	-119.9	146	171.4	-59.1	0	0	0	0	109.9	L75	S9-L75 CarbonylContact C-O 3.54Å; S9-L75 WeakPolarHBondContact CA-O 3.5Å; S9-L75 WeakPolarHBondContact CB-O 2.97Å
10	V	95.8	Very high	89.4	Confident	14 Å²	14	75.1 Å²	75.1	9%	0.085	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141.8	175.6	66.6	0	0	0	0	110	I12 Q74 L75 L78 V105	V10-I12 HydrophobicContact CG1-CG1 4.43Å; V10-I12 HydrophobicContact CG2-CG1 4.42Å; V10-Q74 CarbonylContact O-C 3.57Å; V10-Q74 WeakPolarHBondContact O-CA 3.12Å; V10-L75 HydrophobicContact CG1-CB 4.03Å; V10-L75 HydrophobicContact CG1-CD1 4.28Å; V10-L75 PolarHBondContact N-O 2.93Å; V10-L75 PolarHBondContact O-N 2.92Å; V10-L78 HydrophobicContact CB-CD1 4.09Å; V10-L78 HydrophobicContact CG1-CD1 3.88Å; V10-L78 HydrophobicContact CG1-CD2 4.25Å; V10-V105 HydrophobicContact CG1-CG1 4.34Å; V10-V105 HydrophobicContact CG1-CG2 4.38Å
11	K	96.9	Very high	89.6	Confident	125 Å²	125	71.6 Å²	71.6	54%	0.543	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	114.5	174.1	-172.2	176.8	-178.8	-179.3	0	109.3	Y72	K11-Y72 HydrophobicContact CD-CD1 4.3Å; K11-Y72 VanDerWaalsContact CE-CB 3.5Å; K11-Y72 HydrophobicContact CG-CD1 4.29Å
12	I	96.8	Very high	91.3	Very high	6 Å²	6	68.3 Å²	68.3	3%	0.031	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132.7	178.8	-49.7	-174.3	0	0	0	108.1	V10 W28 Y72 M73 L75 Y86 T103 V105	V10-I12 HydrophobicContact CG1-CG1 4.43Å; V10-I12 HydrophobicContact CG2-CG1 4.42Å; I12-W28 HydrophobicContact CB-CH2 4.4Å; I12-W28 HydrophobicContact CB-CZ3 4.14Å; I12-W28 HydrophobicContact CG2-CH2 4.2Å; I12-W28 HydrophobicContact CG2-CZ3 3.74Å; I12-Y72 CarbonylContact O-C 3.52Å; I12-Y72 WeakPolarHBondContact O-CA 3.31Å; I12-M73 HydrophobicContact CD1-CE 3.69Å; I12-M73 HydrophobicContact CG1-CE 4.34Å; I12-M73 PolarHBondContact N-O 2.97Å; I12-M73 PolarHBondContact O-N 2.8Å; I12-L75 HydrophobicContact CD1-CD1 4.48Å; I12-Y86 HydrophobicContact CD1-CD1 4.29Å; I12-Y86 HydrophobicContact CD1-CD2 3.9Å; I12-Y86 HydrophobicContact CD1-CG 3.65Å; I12-T103 HydrophobicContact CG2-CG2 4.3Å; I12-V105 HydrophobicContact CD1-CG2 3.84Å
13	S	96.8	Very high	92.6	Very high	74 Å²	74	66 Å²	66	52%	0.517	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	149.8	178.2	62	0	0	0	0	111.9	A71	S13-A71 CarbonylContact C-O 3.6Å; S13-A71 WeakPolarHBondContact CA-O 3.42Å
14	C	95.8	Very high	92.9	Very high	15 Å²	15	62 Å²	62	10%	0.101	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	104.9	174.3	-179.4	0	0	0	0	108.6	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.63Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; C14-W28 HydrophobicContact CB-CZ3 4.36Å; C14-T70 CarbonylContact O-C 3.6Å; C14-T70 WeakPolarHBondContact O-CA 3.22Å; C14-A71 HydrophobicContact CB-CB 4.42Å; C14-A71 PolarHBondContact N-O 2.84Å; C14-A71 PolarHBondContact O-N 2.96Å; C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 3.38Å; C14-C88 WeakPolarHBondContact SG-CB 3.47Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.18Å
15	K	95.1	Very high	93.1	Very high	153 Å²	153	64 Å²	64	67%	0.665	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	125.1	179.7	-172.7	173.9	-175.4	176.8	0	110.3
16	A	91.3	Very high	93.3	Very high	7 Å²	7	56.3 Å²	56.3	6%	0.058	35%	0.348	C	S	.	.			trans	-91.3	142	177.1	0	0	0	0	0	111.8	Y19 F21 N69	A16-Y19 HydrophobicContact CB-CE1 3.71Å; A16-Y19 HydrophobicContact CB-CE2 4.1Å; A16-Y19 WeakPolarHBondContact CB-OH 3.39Å; A16-F21 HydrophobicContact CB-CB 4.11Å; A16-F21 HydrophobicContact CB-CD2 3.31Å; A16-F21 HydrophobicContact CB-CE2 4Å; A16-F21 HydrophobicContact CB-CG 4.01Å; A16-N69 HydrophobicContact CB-CB 4.34Å; A16-N69 PolarHBondContact N-O 3.03Å
17	T	87.8	Confident	93.3	Very high	113 Å²	113	53.4 Å²	53.4	69%	0.693	33%	0.329	S	S	*	.			trans	-138.6	145.1	174.7	56.4	0	0	0	0	110.1	Y19	T17-Y19 VanDerWaalsContact O-CD1 3.27Å; T17-Y19 WeakPolarHBondContact O-CD1 3.36Å
18	G	86.2	Confident	93.5	Very high	89 Å²	89	51 Å²	51	92%	0.918	30%	0.303	S	S	*	.	S	Bend	trans	79	15.4	172.8	0	0	0	0	0	116.5
19	Y	85.4	Confident	93.6	Very high	57 Å²	57	49.8 Å²	49.8	22%	0.224	29%	0.293	C	S	.	.	S	Bend	trans	-156.4	166	173.4	64.1	-87.6	0	0	0	112.5	A16 T17 F21 Y24 R90	A16-Y19 HydrophobicContact CB-CE1 3.71Å; A16-Y19 HydrophobicContact CB-CE2 4.1Å; A16-Y19 WeakPolarHBondContact CB-OH 3.39Å; T17-Y19 VanDerWaalsContact O-CD1 3.27Å; T17-Y19 WeakPolarHBondContact O-CD1 3.36Å; Y19-F21 VanDerWaalsContact C-N 3.34Å; Y19-F21 HydrophobicContact CE2-CB 4.42Å; Y19-F21 HydrophobicContact CE2-CD2 4.4Å; Y19-F21 PolarHBondContact O-N 3.4Å; Y19-Y24 AromaticContact CD2-CD2 3.43Å; Y19-Y24 HydrophobicContact CD2-CD2 3.43Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.43Å; Y19-Y24 AromaticContact CD2-CE2 3.87Å; Y19-Y24 HydrophobicContact CD2-CE2 3.87Å; Y19-Y24 HydrophobicContact CD2-CG 4.26Å; Y19-Y24 AromaticContact CE2-CD2 3.89Å; Y19-Y24 HydrophobicContact CE2-CD2 3.89Å; Y19-Y24 HydrophobicContact CE2-CG 4.35Å; Y19-Y24 HydrophobicContact CG-CD2 4.45Å; Y19-R90 HydrophobicContact CE2-CG 4.11Å
20	T	90.8	Very high	93.6	Very high	88 Å²	88	47 Å²	47	54%	0.54	27%	0.273	S	S	.	.			trans	-70.6	85.6	174.7	-47.8	0	0	0	0	110.7	S22 S23 Y24	T20-S22 PolarHBondContact O-N 3.11Å; T20-S22 VanDerWaalsContact O-N 3.12Å; T20-S23 WeakPolarHBondContact CG2-OG 3.47Å; T20-S23 PolarHBondContact O-N 3.25Å; T20-Y24 WeakPolarHBondContact O-CD2 3.46Å
21	F	92.8	Very high	93.7	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-50.1	-38.2	-174.5	173.3	-111.3	0	0	0	114.3	A16 Y19 S23 Y24 I26 P45 A64 T66 N69 T70 A71	A16-F21 HydrophobicContact CB-CB 4.11Å; A16-F21 HydrophobicContact CB-CD2 3.31Å; A16-F21 HydrophobicContact CB-CE2 4Å; A16-F21 HydrophobicContact CB-CG 4.01Å; Y19-F21 VanDerWaalsContact C-N 3.34Å; Y19-F21 HydrophobicContact CE2-CB 4.42Å; Y19-F21 HydrophobicContact CE2-CD2 4.4Å; Y19-F21 PolarHBondContact O-N 3.4Å; F21-S23 PolarHBondContact O-N 2.91Å; F21-Y24 PolarHBondContact O-N 2.75Å; F21-I26 HydrophobicContact CD2-CD1 4.04Å; F21-I26 HydrophobicContact CD2-CG1 4.32Å; F21-I26 HydrophobicContact CE2-CD1 3.79Å; F21-I26 HydrophobicContact CE2-CG1 3.66Å; F21-I26 HydrophobicContact CZ-CG1 4.36Å; F21-P45 HydrophobicContact CD1-CB 3.83Å; F21-P45 HydrophobicContact CD1-CG 4.05Å; F21-P45 HydrophobicContact CD2-CG 4.25Å; F21-P45 HydrophobicContact CE1-CB 3.4Å; F21-P45 VanDerWaalsContact CE1-CB 3.4Å; F21-P45 HydrophobicContact CE1-CG 3.57Å; F21-P45 HydrophobicContact CE2-CG 3.81Å; F21-P45 HydrophobicContact CG-CG 4.38Å; F21-P45 HydrophobicContact CZ-CB 3.81Å; F21-P45 HydrophobicContact CZ-CG 3.43Å; F21-P45 VanDerWaalsContact CZ-CG 3.43Å; F21-A64 HydrophobicContact CE1-CB 4.19Å; F21-A64 HydrophobicContact CZ-CB 4.2Å; F21-T66 HydrophobicContact CD1-CG2 4.49Å; F21-N69 HydrophobicContact CB-CB 3.92Å; F21-N69 WeakPolarHBondContact CB-OD1 3.24Å; F21-N69 HydrophobicContact CD1-CB 4.15Å; F21-N69 HydrophobicContact CG-CB 4.01Å; F21-T70 VanDerWaalsContact CZ-C 3.47Å; F21-A71 HydrophobicContact CE2-CB 4.15Å; F21-A71 HydrophobicContact CZ-CB 3.85Å
22	S	94.2	Very high	93.6	Very high	46 Å²	46	46.7 Å²	46.7	32%	0.322	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-64.5	-19	179.6	52.9	0	0	0	0	114.9	T20 G46	T20-S22 PolarHBondContact O-N 3.11Å; T20-S22 VanDerWaalsContact O-N 3.12Å; S22-G46 VanDerWaalsContact O-CA 3.23Å; S22-G46 WeakPolarHBondContact O-CA 3.49Å; S22-G46 PolarHBondContact O-N 2.65Å
23	S	91.8	Very high	93.3	Very high	78 Å²	78	52 Å²	52	55%	0.545	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-98.4	1.7	-174.4	-53.6	0	0	0	0	114.5	T20 F21	T20-S23 WeakPolarHBondContact CG2-OG 3.47Å; T20-S23 PolarHBondContact O-N 3.25Å; F21-S23 PolarHBondContact O-N 2.91Å
24	Y	92.2	Very high	93	Very high	40 Å²	40	52.8 Å²	52.8	16%	0.157	33%	0.325	C	S	.	.	S	Bend	trans	-126	142	-176.2	-64.5	-80.2	0	0	0	111.9	Y19 T20 F21 P45 R90 R92	Y19-Y24 AromaticContact CD2-CD2 3.43Å; Y19-Y24 HydrophobicContact CD2-CD2 3.43Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.43Å; Y19-Y24 AromaticContact CD2-CE2 3.87Å; Y19-Y24 HydrophobicContact CD2-CE2 3.87Å; Y19-Y24 HydrophobicContact CD2-CG 4.26Å; Y19-Y24 AromaticContact CE2-CD2 3.89Å; Y19-Y24 HydrophobicContact CE2-CD2 3.89Å; Y19-Y24 HydrophobicContact CE2-CG 4.35Å; Y19-Y24 HydrophobicContact CG-CD2 4.45Å; T20-Y24 WeakPolarHBondContact O-CD2 3.46Å; F21-Y24 PolarHBondContact O-N 2.75Å; Y24-P45 WeakPolarHBondContact O-CD 3.38Å; Y24-R90 HydrophobicContact CD1-CG 4.45Å; Y24-R90 HydrophobicContact CG-CG 4.18Å; Y24-R92 HydrophobicContact CD1-CB 3.83Å; Y24-R92 HydrophobicContact CD1-CG 4.06Å; Y24-R92 HydrophobicContact CE1-CB 3.82Å; Y24-R92 VanDerWaalsContact CE1-CD 3.47Å; Y24-R92 HydrophobicContact CE1-CG 3.58Å; Y24-R92 PolarHBondContact OH-NH1 3.39Å
25	W	94.4	Very high	92.9	Very high	64 Å²	64	57.7 Å²	57.7	24%	0.242	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	133.2	169.3	-70.7	98.1	0	0	0	109.8	E42 L44 S49 W91	W25-E42 HydrophobicContact CD2-CG 4.35Å; W25-E42 HydrophobicContact CE3-CB 3.97Å; W25-E42 VanDerWaalsContact CE3-CD 3.5Å; W25-E42 HydrophobicContact CE3-CG 3.49Å; W25-E42 VanDerWaalsContact CE3-CG 3.49Å; W25-E42 HydrophobicContact CZ3-CG 3.8Å; W25-L44 HydrophobicContact CD2-CB 3.78Å; W25-L44 HydrophobicContact CD2-CD1 4.42Å; W25-L44 HydrophobicContact CE3-CB 3.7Å; W25-L44 VanDerWaalsContact CE3-N 3.26Å; W25-L44 HydrophobicContact CG-CD1 4.41Å; W25-L44 HydrophobicContact CH2-CB 3.72Å; W25-L44 HydrophobicContact CZ2-CB 3.79Å; W25-L44 HydrophobicContact CZ2-CD2 4.03Å; W25-L44 HydrophobicContact CZ2-CG 4.48Å; W25-L44 HydrophobicContact CZ3-CB 3.67Å; W25-L44 VanDerWaalsContact CZ3-N 3.3Å; W25-S49 VanDerWaalsContact CZ3-O 3.3Å; W25-S49 WeakPolarHBondContact CZ3-O 3.02Å; W25-W91 HydrophobicContact CB-CB 4.06Å; W25-W91 PolarHBondContact O-N 3.25Å
26	I	95.9	Very high	92.8	Very high	1 Å²	1	53 Å²	53	1%	0.005	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	110.8	172.3	-50.7	-60.4	0	0	0	107.1	F21 E42 I43 P45 A71 C88 A89	F21-I26 HydrophobicContact CD2-CD1 4.04Å; F21-I26 HydrophobicContact CD2-CG1 4.32Å; F21-I26 HydrophobicContact CE2-CD1 3.79Å; F21-I26 HydrophobicContact CE2-CG1 3.66Å; F21-I26 HydrophobicContact CZ-CG1 4.36Å; I26-E42 CarbonylContact O-C 3.5Å; I26-E42 VanDerWaalsContact O-CA 3.22Å; I26-E42 WeakPolarHBondContact O-CA 3.13Å; I26-I43 HydrophobicContact CB-CG2 4.18Å; I26-I43 PolarHBondContact N-O 3.5Å; I26-I43 PolarHBondContact O-N 2.83Å; I26-P45 HydrophobicContact CG1-CG 3.89Å; I26-A71 HydrophobicContact CB-CB 4.17Å; I26-A71 HydrophobicContact CG1-CB 4.24Å; I26-A71 HydrophobicContact CG2-CB 3.81Å; I26-C88 HydrophobicContact CG2-CB 4.26Å; I26-A89 WeakPolarHBondContact CA-O 3.05Å
27	E	95.9	Very high	92.9	Very high	5 Å²	5	57.3 Å²	57.3	2%	0.023	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	146.8	179.5	-59.8	-160	-152.9	0	0	111	W39 E42 C88 A89 W91 Y96	E27-W39 PolarHBondContact OE2-NE1 3.12Å; E27-E42 HydrophobicContact CB-CB 4.45Å; E27-E42 HydrophobicContact CG-CB 3.95Å; E27-C88 CarbonylContact O-C 3.56Å; E27-C88 WeakPolarHBondContact O-CA 3.47Å; E27-A89 PolarHBondContact N-O 2.82Å; E27-A89 PolarHBondContact O-N 3.37Å; E27-W91 HydrophobicContact CG-CB 3.98Å; E27-W91 VanDerWaalsContact OE1-CB 3.22Å; E27-W91 WeakPolarHBondContact OE1-CB 3.3Å; E27-Y96 HydrophobicContact CB-CE1 4.29Å; E27-Y96 HydrophobicContact CG-CE1 4.23Å; E27-Y96 WeakPolarHBondContact OE2-CE1 3.42Å; E27-Y96 VanDerWaalsContact OE2-CZ 3.23Å; E27-Y96 PolarHBondContact OE2-OH 3.12Å
28	W	97.5	Very high	93.3	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.008	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.9	174.2	-66.8	98.6	0	0	0	110	I12 C14 I40 G41 F62 A71 M73 Y87 C88	I12-W28 HydrophobicContact CB-CH2 4.4Å; I12-W28 HydrophobicContact CB-CZ3 4.14Å; I12-W28 HydrophobicContact CG2-CH2 4.2Å; I12-W28 HydrophobicContact CG2-CZ3 3.74Å; C14-W28 HydrophobicContact CB-CH2 3.63Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; C14-W28 HydrophobicContact CB-CZ3 4.36Å; W28-I40 HydrophobicContact CB-CB 4.13Å; W28-I40 HydrophobicContact CB-CD1 4.24Å; W28-I40 WeakPolarHBondContact O-CB 3.28Å; W28-I40 PolarHBondContact O-N 2.81Å; W28-G41 PolarHBondContact N-O 2.91Å; W28-F62 HydrophobicContact CB-CE1 4.2Å; W28-F62 AromaticContact CD1-CD1 3.53Å; W28-F62 AromaticContact CD1-CE1 3.58Å; W28-F62 HydrophobicContact CG-CD1 4.3Å; W28-F62 HydrophobicContact CG-CE1 4.01Å; W28-F62 AromaticContact NE1-CD1 3.86Å; W28-A71 HydrophobicContact CZ2-CB 4.16Å; W28-M73 HydrophobicContact CB-SD 3.91Å; W28-M73 HydrophobicContact CD2-CB 3.58Å; W28-M73 HydrophobicContact CD2-CE 4.47Å; W28-M73 HydrophobicContact CD2-CG 4.45Å; W28-M73 HydrophobicContact CD2-SD 4.21Å; W28-M73 HydrophobicContact CE3-CB 3.93Å; W28-M73 HydrophobicContact CE3-CE 4.05Å; W28-M73 HydrophobicContact CE3-SD 4.37Å; W28-M73 HydrophobicContact CG-CB 4.02Å; W28-M73 HydrophobicContact CG-SD 4.02Å; W28-M73 HydrophobicContact CH2-CB 4.15Å; W28-M73 HydrophobicContact CZ2-CB 3.86Å; W28-M73 HydrophobicContact CZ3-CB 4.19Å; W28-Y87 WeakPolarHBondContact CA-O 3.21Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.05Å; W28-C88 HydrophobicContact CH2-CB 4.24Å; W28-C88 HydrophobicContact CZ3-CB 3.94Å
29	V	96.8	Very high	93.8	Very high	4 Å²	4	53 Å²	53	2%	0.024	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	135.2	-173.5	-177.1	0	0	0	0	109.6	L37 E38 Y86 Y87 W99	V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 4Å; V29-L37 HydrophobicContact CG1-CG 4.35Å; V29-E38 CarbonylContact C-O 3.46Å; V29-E38 WeakPolarHBondContact CA-O 3.5Å; V29-E38 WeakPolarHBondContact CG1-O 3.43Å; V29-Y86 CarbonylContact O-C 3.54Å; V29-Y86 WeakPolarHBondContact O-CA 3.27Å; V29-Y87 PolarHBondContact N-O 2.77Å; V29-Y87 PolarHBondContact O-N 3.19Å; V29-W99 HydrophobicContact CB-CH2 4.05Å; V29-W99 HydrophobicContact CB-CZ3 3.81Å; V29-W99 HydrophobicContact CG1-CH2 4.03Å; V29-W99 HydrophobicContact CG1-CZ3 4.04Å; V29-W99 HydrophobicContact CG2-CH2 3.74Å; V29-W99 HydrophobicContact CG2-CZ3 3.89Å
30	K	96.3	Very high	94.4	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.017	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	138.8	176.6	-177.1	179.8	179.5	-177.7	0	109.8	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 2.82Å; K30-E38 PolarHBondContact O-N 3.44Å; K30-I40 HydrophobicContact CB-CD1 3.93Å; K30-I40 HydrophobicContact CB-CG1 4.08Å; K30-F56 HydrophobicContact CD-CE1 4.09Å; K30-F56 HydrophobicContact CD-CZ 4.11Å; K30-E81 PolarHBondContact NZ-O 2.91Å; K30-D82 IonicContact NZ-OD1 3.19Å; K30-A84 HydrophobicContact CD-CB 4.15Å; K30-A84 HydrophobicContact CG-CB 3.5Å; K30-Y86 HydrophobicContact CB-CD1 4.17Å; K30-Y86 HydrophobicContact CB-CE1 3.93Å; K30-Y86 HydrophobicContact CD-CE1 4Å; K30-Y86 HydrophobicContact CG-CD1 4.32Å; K30-Y86 HydrophobicContact CG-CE1 3.79Å
31	Q	96.7	Very high	94.7	Very high	67 Å²	67	46 Å²	46	31%	0.313	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	114.4	169.8	-169.2	-178.4	30.6	0	0	110.4	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.88Å; Q31-L37 HydrophobicContact CG-CD2 4.01Å; Q31-A84 WeakPolarHBondContact O-CA 3.43Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 3.32Å; Q31-V85 PolarHBondContact N-O 2.87Å; Q31-V85 PolarHBondContact O-N 3.45Å; Q31-Y87 HydrophobicContact CB-CD2 4.41Å; Q31-Y87 HydrophobicContact CB-CE2 3.74Å; Q31-Y87 PolarHBondContact OE1-OH 3.06Å
32	R	94.6	Very high	94.9	Very high	67 Å²	67	47.2 Å²	47.2	25%	0.253	28%	0.276	S	S	.	.			trans	-85.1	148.1	171.9	-65.3	-177.5	-115	-166.9	-4.7	110.4	G34 H35 E38 A84	R32-G34 PolarHBondContact O-N 3Å; R32-H35 HydrophobicContact CB-CB 4.01Å; R32-H35 PolarHBondContact O-N 3.01Å; R32-E38 IonicContact CZ-OE1 2.82Å; R32-E38 VanDerWaalsContact CZ-OE1 3.24Å; R32-E38 IonicContact NE-OE1 2.84Å; R32-E38 PolarHBondContact NE-OE1 2.84Å; R32-E38 IonicContact NH2-OE1 3.61Å; R32-E38 PolarHBondContact NH2-OE1 3.4Å; R32-E38 IonicContact NH2-OE2 3.24Å; R32-E38 PolarHBondContact NH2-OE2 2.96Å; R32-A84 HydrophobicContact CG-CB 4.18Å
33	P	90.3	Very high	95	Very high	116 Å²	116	45.2 Å²	45.2	75%	0.753	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	124.9	173.4	-24.5	34	0	0	0	111.1	H35	P33-H35 VanDerWaalsContact C-N 3.29Å; P33-H35 PolarHBondContact O-CD2 2.89Å; P33-H35 PolarHBondContact O-N 3.14Å
34	G	91.8	Very high	95.2	Very high	92 Å²	92	43.2 Å²	43.2	95%	0.948	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.5	2.8	-179	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 3Å
35	H	92.8	Very high	95.4	Very high	117 Å²	117	41.8 Å²	41.8	54%	0.542	24%	0.24	S	C	.	.	S	Bend	trans	-116.4	162	176.5	-64.3	-96	0	0	0	112	R32 P33	R32-H35 HydrophobicContact CB-CB 4.01Å; R32-H35 PolarHBondContact O-N 3.01Å; P33-H35 VanDerWaalsContact C-N 3.29Å; P33-H35 PolarHBondContact O-CD2 2.89Å; P33-H35 PolarHBondContact O-N 3.14Å
36	G	93.2	Very high	95.5	Very high	54 Å²	54	41.3 Å²	41.3	56%	0.557	26%	0.255	S	S	*	.			trans	-69.2	177.4	172.7	0	0	0	0	0	113.4
37	L	94.6	Very high	95.5	Very high	98 Å²	98	44.7 Å²	44.7	51%	0.513	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129.7	173.4	-64.2	177.4	0	0	0	110.3	V29 Q31 W99	V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 4Å; V29-L37 HydrophobicContact CG1-CG 4.35Å; Q31-L37 HydrophobicContact CB-CD2 3.88Å; Q31-L37 HydrophobicContact CG-CD2 4.01Å; L37-W99 HydrophobicContact CD1-CH2 3.85Å; L37-W99 HydrophobicContact CD1-CZ2 4.34Å; L37-W99 HydrophobicContact CD1-CZ3 4.43Å
38	E	95.9	Very high	95.5	Very high	35 Å²	35	46.5 Å²	46.5	16%	0.164	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	113.5	175.4	-66.4	-176.1	-107.8	0	0	109.4	V29 K30 R32 I40	V29-E38 CarbonylContact C-O 3.46Å; V29-E38 WeakPolarHBondContact CA-O 3.5Å; V29-E38 WeakPolarHBondContact CG1-O 3.43Å; K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 2.82Å; K30-E38 PolarHBondContact O-N 3.44Å; R32-E38 IonicContact CZ-OE1 2.82Å; R32-E38 VanDerWaalsContact CZ-OE1 3.24Å; R32-E38 IonicContact NE-OE1 2.84Å; R32-E38 PolarHBondContact NE-OE1 2.84Å; R32-E38 IonicContact NH2-OE1 3.61Å; R32-E38 PolarHBondContact NH2-OE1 3.4Å; R32-E38 IonicContact NH2-OE2 3.24Å; R32-E38 PolarHBondContact NH2-OE2 2.96Å; E38-I40 PolarHBondContact O-N 2.8Å
39	W	96	Very high	95.5	Very high	76 Å²	76	49.2 Å²	49.2	29%	0.288	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	129.5	175	-177.7	80.5	0	0	0	111	E27 G41 E42 N51 N53	E27-W39 PolarHBondContact OE2-NE1 3.12Å; W39-G41 VanDerWaalsContact CZ2-CA 3.45Å; W39-E42 HydrophobicContact CZ2-CB 4.32Å; W39-E42 HydrophobicContact CZ2-CG 3.95Å; W39-N51 HydrophobicContact CH2-CB 4.21Å; W39-N53 HydrophobicContact CE3-CB 3.68Å; W39-N53 HydrophobicContact CZ3-CB 3.85Å; W39-N53 VanDerWaalsContact CZ3-N 3.32Å; W39-N53 WeakPolarHBondContact O-CB 3.37Å; W39-N53 PolarHBondContact O-ND2 2.79Å
40	I	97.6	Very high	95.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-43.3	-177.9	-53.1	176.8	0	0	0	110.2	W28 K30 E38 N53 F56 A60 F62 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.13Å; W28-I40 HydrophobicContact CB-CD1 4.24Å; W28-I40 WeakPolarHBondContact O-CB 3.28Å; W28-I40 PolarHBondContact O-N 2.81Å; K30-I40 HydrophobicContact CB-CD1 3.93Å; K30-I40 HydrophobicContact CB-CG1 4.08Å; E38-I40 PolarHBondContact O-N 2.8Å; I40-N53 WeakPolarHBondContact O-CB 3.35Å; I40-N53 PolarHBondContact O-N 3.36Å; I40-F56 HydrophobicContact CB-CD2 4.3Å; I40-F56 HydrophobicContact CB-CG 4.31Å; I40-F56 HydrophobicContact CG1-CD1 4.49Å; I40-F56 HydrophobicContact CG1-CD2 4.44Å; I40-F56 HydrophobicContact CG1-CE1 4.36Å; I40-F56 HydrophobicContact CG1-CE2 4.3Å; I40-F56 HydrophobicContact CG1-CZ 4.26Å; I40-F56 HydrophobicContact CG2-CB 3.65Å; I40-F56 HydrophobicContact CG2-CD1 3.93Å; I40-F56 HydrophobicContact CG2-CD2 4.1Å; I40-F56 HydrophobicContact CG2-CG 3.63Å; I40-A60 HydrophobicContact CG2-CB 3.88Å; I40-F62 HydrophobicContact CG2-CE1 4.25Å; I40-F62 HydrophobicContact CG2-CZ 3.96Å; I40-M73 HydrophobicContact CD1-CE 4.03Å; I40-M73 HydrophobicContact CD1-SD 3.68Å; I40-M73 HydrophobicContact CG2-SD 4.02Å; I40-Y86 HydrophobicContact CD1-CD1 3.67Å; I40-Y86 HydrophobicContact CD1-CE1 3.75Å
41	G	97.3	Very high	95.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.7	-174.8	-173.7	0	0	0	0	0	111.8	W28 W39 N51	W28-G41 PolarHBondContact N-O 2.91Å; W39-G41 VanDerWaalsContact CZ2-CA 3.45Å; G41-N51 CarbonylContact C-O 3.58Å; G41-N51 WeakPolarHBondContact CA-O 3.48Å
42	E	96.6	Very high	95.6	Very high	25 Å²	25	54.5 Å²	54.5	12%	0.117	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	159.9	-175.5	63.4	-179	179.4	0	0	112.6	W25 I26 E27 W39 T50 N51	W25-E42 HydrophobicContact CD2-CG 4.35Å; W25-E42 HydrophobicContact CE3-CB 3.97Å; W25-E42 VanDerWaalsContact CE3-CD 3.5Å; W25-E42 HydrophobicContact CE3-CG 3.49Å; W25-E42 VanDerWaalsContact CE3-CG 3.49Å; W25-E42 HydrophobicContact CZ3-CG 3.8Å; I26-E42 CarbonylContact O-C 3.5Å; I26-E42 VanDerWaalsContact O-CA 3.22Å; I26-E42 WeakPolarHBondContact O-CA 3.13Å; E27-E42 HydrophobicContact CB-CB 4.45Å; E27-E42 HydrophobicContact CG-CB 3.95Å; W39-E42 HydrophobicContact CZ2-CB 4.32Å; W39-E42 HydrophobicContact CZ2-CG 3.95Å; E42-T50 VanDerWaalsContact O-CA 3.25Å; E42-T50 WeakPolarHBondContact O-CA 3.41Å; E42-N51 HydrophobicContact CG-CB 3.85Å; E42-N51 PolarHBondContact N-O 2.97Å; E42-N51 PolarHBondContact O-N 2.8Å; E42-N51 PolarHBondContact OE1-ND2 3.28Å
43	I	97.4	Very high	95.7	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.026	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	138.1	173.5	-174.8	165.8	0	0	0	110.5	I26 P45 S49 T50 F62 A64 A71	I26-I43 HydrophobicContact CB-CG2 4.18Å; I26-I43 PolarHBondContact N-O 3.5Å; I26-I43 PolarHBondContact O-N 2.83Å; I43-P45 WeakPolarHBondContact O-CD 3.33Å; I43-S49 CarbonylContact C-O 3.55Å; I43-S49 WeakPolarHBondContact CA-O 3.33Å; I43-T50 HydrophobicContact CB-CG2 3.94Å; I43-T50 HydrophobicContact CD1-CG2 3.96Å; I43-T50 HydrophobicContact CG1-CG2 3.79Å; I43-F62 HydrophobicContact CB-CB 3.97Å; I43-F62 HydrophobicContact CD1-CB 4.12Å; I43-F62 HydrophobicContact CG2-CB 4.27Å; I43-A64 HydrophobicContact CD1-CB 4.05Å; I43-A71 HydrophobicContact CG2-CB 4.42Å
44	L	96.6	Very high	96	Very high	35 Å²	35	54 Å²	54	18%	0.183	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	105	167.1	-176.7	58.2	0	0	0	108.5	W25 G46 S47 G48 S49	W25-L44 HydrophobicContact CD2-CB 3.78Å; W25-L44 HydrophobicContact CD2-CD1 4.42Å; W25-L44 HydrophobicContact CE3-CB 3.7Å; W25-L44 VanDerWaalsContact CE3-N 3.26Å; W25-L44 HydrophobicContact CG-CD1 4.41Å; W25-L44 HydrophobicContact CH2-CB 3.72Å; W25-L44 HydrophobicContact CZ2-CB 3.79Å; W25-L44 HydrophobicContact CZ2-CD2 4.03Å; W25-L44 HydrophobicContact CZ2-CG 4.48Å; W25-L44 HydrophobicContact CZ3-CB 3.67Å; W25-L44 VanDerWaalsContact CZ3-N 3.3Å; L44-G46 VanDerWaalsContact C-N 3.25Å; L44-G46 PolarHBondContact O-N 3.49Å; L44-G46 VanDerWaalsContact O-N 3.17Å; L44-S47 PolarHBondContact O-N 3.12Å; L44-G48 WeakPolarHBondContact O-CA 3.07Å; L44-G48 PolarHBondContact O-N 2.58Å; L44-S49 PolarHBondContact N-O 2.85Å
45	P	96.6	Very high	96	Very high	11 Å²	11	57.3 Å²	57.3	7%	0.071	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-29.4	-170	-24.4	35.2	0	0	0	114.2	F21 Y24 I26 I43 A64 T66	F21-P45 HydrophobicContact CD1-CB 3.83Å; F21-P45 HydrophobicContact CD1-CG 4.05Å; F21-P45 HydrophobicContact CD2-CG 4.25Å; F21-P45 HydrophobicContact CE1-CB 3.4Å; F21-P45 VanDerWaalsContact CE1-CB 3.4Å; F21-P45 HydrophobicContact CE1-CG 3.57Å; F21-P45 HydrophobicContact CE2-CG 3.81Å; F21-P45 HydrophobicContact CG-CG 4.38Å; F21-P45 HydrophobicContact CZ-CB 3.81Å; F21-P45 HydrophobicContact CZ-CG 3.43Å; F21-P45 VanDerWaalsContact CZ-CG 3.43Å; Y24-P45 WeakPolarHBondContact O-CD 3.38Å; I26-P45 HydrophobicContact CG1-CG 3.89Å; I43-P45 WeakPolarHBondContact O-CD 3.33Å; P45-A64 HydrophobicContact CB-CB 3.67Å; P45-A64 HydrophobicContact CG-CB 4.1Å; P45-T66 HydrophobicContact CB-CG2 4.09Å; P45-T66 WeakPolarHBondContact O-CG2 3.26Å
46	G	95.7	Very high	96.2	Very high	53 Å²	53	52.2 Å²	52.2	55%	0.546	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-31.1	-179.3	0	0	0	0	0	114.5	S22 L44	S22-G46 VanDerWaalsContact O-CA 3.23Å; S22-G46 WeakPolarHBondContact O-CA 3.49Å; S22-G46 PolarHBondContact O-N 2.65Å; L44-G46 VanDerWaalsContact C-N 3.25Å; L44-G46 PolarHBondContact O-N 3.49Å; L44-G46 VanDerWaalsContact O-N 3.17Å
47	S	96.3	Very high	96.2	Very high	72 Å²	72	55.3 Å²	55.3	50%	0.503	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-16.7	178.7	63.8	0	0	0	0	113.6	L44 S49	L44-S47 PolarHBondContact O-N 3.12Å; S47-S49 PolarHBondContact O-N 2.79Å; S47-S49 VanDerWaalsContact OG-CB 3.3Å; S47-S49 WeakPolarHBondContact OG-CB 3.32Å; S47-S49 PolarHBondContact OG-N 2.85Å; S47-S49 PolarHBondContact OG-OG 2.82Å
48	G	96.1	Very high	96.1	Very high	43 Å²	43	54.1 Å²	54.1	44%	0.443	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	7.6	-169.2	0	0	0	0	0	113.7	L44	L44-G48 WeakPolarHBondContact O-CA 3.07Å; L44-G48 PolarHBondContact O-N 2.58Å
49	S	97	Very high	96.1	Very high	59 Å²	59	54.7 Å²	54.7	41%	0.413	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	137.9	176.8	-57.7	0	0	0	0	110.1	W25 I43 L44 S47	W25-S49 VanDerWaalsContact CZ3-O 3.3Å; W25-S49 WeakPolarHBondContact CZ3-O 3.02Å; I43-S49 CarbonylContact C-O 3.55Å; I43-S49 WeakPolarHBondContact CA-O 3.33Å; L44-S49 PolarHBondContact N-O 2.85Å; S47-S49 PolarHBondContact O-N 2.79Å; S47-S49 VanDerWaalsContact OG-CB 3.3Å; S47-S49 WeakPolarHBondContact OG-CB 3.32Å; S47-S49 PolarHBondContact OG-N 2.85Å; S47-S49 PolarHBondContact OG-OG 2.82Å
50	T	97.6	Very high	96.2	Very high	49 Å²	49	51.2 Å²	51.2	30%	0.301	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	142.9	-178.5	50.5	0	0	0	0	111	E42 I43 Y52 F62	E42-T50 VanDerWaalsContact O-CA 3.25Å; E42-T50 WeakPolarHBondContact O-CA 3.41Å; I43-T50 HydrophobicContact CB-CG2 3.94Å; I43-T50 HydrophobicContact CD1-CG2 3.96Å; I43-T50 HydrophobicContact CG1-CG2 3.79Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.45Å; T50-F62 HydrophobicContact CG2-CB 4.03Å; T50-F62 HydrophobicContact CG2-CD2 4.16Å
51	N	96.9	Very high	96.2	Very high	76 Å²	76	54.6 Å²	54.6	41%	0.406	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	145.1	168.1	-62.2	-46.3	0	0	0	108.6	W39 G41 E42	W39-N51 HydrophobicContact CH2-CB 4.21Å; G41-N51 CarbonylContact C-O 3.58Å; G41-N51 WeakPolarHBondContact CA-O 3.48Å; E42-N51 HydrophobicContact CG-CB 3.85Å; E42-N51 PolarHBondContact N-O 2.97Å; E42-N51 PolarHBondContact O-N 2.8Å; E42-N51 PolarHBondContact OE1-ND2 3.28Å
52	Y	97.4	Very high	96.2	Very high	61 Å²	61	55.1 Å²	55.1	24%	0.239	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147.1	-177.4	-66	-91.8	0	0	0	110.2	T50 A60 F62	T50-Y52 WeakPolarHBondContact OG1-CE2 3.45Å; Y52-A60 VanDerWaalsContact CE1-O 3.27Å; Y52-A60 WeakPolarHBondContact CE1-O 3.34Å; Y52-F62 HydrophobicContact CD1-CD2 4.14Å; Y52-F62 AromaticContact CD1-CE2 3.42Å; Y52-F62 HydrophobicContact CD1-CE2 3.42Å; Y52-F62 VanDerWaalsContact CD1-CE2 3.42Å; Y52-F62 AromaticContact CD1-CZ 3.9Å; Y52-F62 HydrophobicContact CD1-CZ 3.9Å; Y52-F62 AromaticContact CE1-CD2 3.49Å; Y52-F62 HydrophobicContact CE1-CD2 3.49Å; Y52-F62 VanDerWaalsContact CE1-CD2 3.49Å; Y52-F62 HydrophobicContact CE1-CE1 4.5Å; Y52-F62 AromaticContact CE1-CE2 3.21Å; Y52-F62 HydrophobicContact CE1-CE2 3.21Å; Y52-F62 HydrophobicContact CE1-CG 4.23Å; Y52-F62 AromaticContact CE1-CZ 3.79Å; Y52-F62 HydrophobicContact CE1-CZ 3.79Å; Y52-F62 HydrophobicContact CE2-CD2 4.47Å; Y52-F62 HydrophobicContact CG-CE2 4.18Å; Y52-F62 AromaticContact CZ-CD2 3.67Å; Y52-F62 AromaticContact CZ-CE2 3.83Å
53	N	96.6	Very high	96.3	Very high	43 Å²	43	57 Å²	57	23%	0.23	34%	0.338	C	S	.	.			trans	-72	130.5	154.6	-176.1	-28.8	0	0	0	108.1	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.68Å; W39-N53 HydrophobicContact CZ3-CB 3.85Å; W39-N53 VanDerWaalsContact CZ3-N 3.32Å; W39-N53 WeakPolarHBondContact O-CB 3.37Å; W39-N53 PolarHBondContact O-ND2 2.79Å; I40-N53 WeakPolarHBondContact O-CB 3.35Å; I40-N53 PolarHBondContact O-N 3.36Å; N53-K55 PolarHBondContact O-N 3.05Å; N53-K55 PolarHBondContact OD1-N 2.89Å; N53-F56 HydrophobicContact CB-CD2 3.97Å; N53-F56 PolarHBondContact O-N 3.19Å; N53-K57 PolarHBondContact O-N 2.89Å
54	E	95.4	Very high	96.3	Very high	131 Å²	131	58.6 Å²	58.6	61%	0.612	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-29.2	-178.7	-68.5	-62.2	141.9	0	0	112.8	F56 K57	E54-F56 PolarHBondContact O-N 3.14Å; E54-K57 PolarHBondContact O-N 2.84Å; E54-K57 IonicContact OE1-NZ 2.82Å; E54-K57 PolarHBondContact OE1-NZ 3.45Å; E54-K57 WeakPolarHBondContact OE2-CD 3.15Å; E54-K57 IonicContact OE2-NZ 3.14Å; E54-K57 PolarHBondContact OE2-NZ 3.28Å; E54-K57 VanDerWaalsContact OE2-NZ 3.14Å
55	K	93.5	Very high	96.4	Very high	160 Å²	160	59.5 Å²	59.5	70%	0.696	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-27.4	175.1	-67.8	-175.7	-179.3	-179.7	0	114.4	N53	N53-K55 PolarHBondContact O-N 3.05Å; N53-K55 PolarHBondContact OD1-N 2.89Å
56	F	95.1	Very high	96.3	Very high	10 Å²	10	62.5 Å²	62.5	4%	0.044	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-3.5	-174.7	-63.4	-85.4	0	0	0	112.7	K30 I40 N53 E54 G58 K59 A60	K30-F56 HydrophobicContact CD-CE1 4.09Å; K30-F56 HydrophobicContact CD-CZ 4.11Å; I40-F56 HydrophobicContact CB-CD2 4.3Å; I40-F56 HydrophobicContact CB-CG 4.31Å; I40-F56 HydrophobicContact CG1-CD1 4.49Å; I40-F56 HydrophobicContact CG1-CD2 4.44Å; I40-F56 HydrophobicContact CG1-CE1 4.36Å; I40-F56 HydrophobicContact CG1-CE2 4.3Å; I40-F56 HydrophobicContact CG1-CZ 4.26Å; I40-F56 HydrophobicContact CG2-CB 3.65Å; I40-F56 HydrophobicContact CG2-CD1 3.93Å; I40-F56 HydrophobicContact CG2-CD2 4.1Å; I40-F56 HydrophobicContact CG2-CG 3.63Å; N53-F56 HydrophobicContact CB-CD2 3.97Å; N53-F56 PolarHBondContact O-N 3.19Å; E54-F56 PolarHBondContact O-N 3.14Å; F56-G58 PolarHBondContact O-N 2.82Å; F56-K59 PolarHBondContact O-N 3.16Å; F56-A60 HydrophobicContact CB-CB 4.35Å; F56-A60 PolarHBondContact O-N 2.81Å
57	K	93.6	Very high	96.3	Very high	119 Å²	119	64.9 Å²	64.9	52%	0.517	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-61.5	126.4	176.2	-162.8	176.3	-169.1	171.6	0	109.6	N53 E54 K59	N53-K57 PolarHBondContact O-N 2.89Å; E54-K57 PolarHBondContact O-N 2.84Å; E54-K57 IonicContact OE1-NZ 2.82Å; E54-K57 PolarHBondContact OE1-NZ 3.45Å; E54-K57 WeakPolarHBondContact OE2-CD 3.15Å; E54-K57 IonicContact OE2-NZ 3.14Å; E54-K57 PolarHBondContact OE2-NZ 3.28Å; E54-K57 VanDerWaalsContact OE2-NZ 3.14Å; K57-K59 VanDerWaalsContact C-N 3.26Å; K57-K59 PolarHBondContact O-N 2.82Å
58	G	93.3	Very high	96.3	Very high	73 Å²	73	63.3 Å²	63.3	75%	0.753	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	-14.3	-174.4	0	0	0	0	0	115	F56	F56-G58 PolarHBondContact O-N 2.82Å
59	K	95.5	Very high	96.3	Very high	48 Å²	48	64.2 Å²	64.2	21%	0.209	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-39	173.5	-168.8	168.5	-167.1	171.2	0	112.7	F56 K57 L75 S76 D82	F56-K59 PolarHBondContact O-N 3.16Å; K57-K59 VanDerWaalsContact C-N 3.26Å; K57-K59 PolarHBondContact O-N 2.82Å; K59-L75 WeakPolarHBondContact O-CA 2.99Å; K59-S76 WeakPolarHBondContact CE-O 3.24Å; K59-S76 WeakPolarHBondContact CG-O 3.41Å; K59-S76 PolarHBondContact O-N 2.98Å; K59-S76 PolarHBondContact O-OG 3.41Å; K59-D82 WeakPolarHBondContact CE-OD1 3.3Å; K59-D82 WeakPolarHBondContact CE-OD2 3.25Å; K59-D82 IonicContact NZ-OD1 2.85Å; K59-D82 PolarHBondContact NZ-OD1 3Å; K59-D82 IonicContact NZ-OD2 2.58Å; K59-D82 PolarHBondContact NZ-OD2 2.92Å
60	A	97.6	Very high	96.3	Very high	3 Å²	3	61.9 Å²	61.9	3%	0.025	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	139.1	176.5	0	0	0	0	0	110.7	I40 Y52 F56 F62 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.88Å; Y52-A60 VanDerWaalsContact CE1-O 3.27Å; Y52-A60 WeakPolarHBondContact CE1-O 3.34Å; F56-A60 HydrophobicContact CB-CB 4.35Å; F56-A60 PolarHBondContact O-N 2.81Å; A60-F62 HydrophobicContact CB-CE1 3.88Å; A60-F62 HydrophobicContact CB-CZ 4.08Å; A60-M73 HydrophobicContact CB-CG 4.39Å; A60-M73 HydrophobicContact CB-SD 4.43Å; A60-Q74 CarbonylContact C-O 3.58Å; A60-Q74 WeakPolarHBondContact CA-O 3.27Å; A60-L75 HydrophobicContact CB-CD2 3.94Å
61	T	98.2	Very high	96.3	Very high	70 Å²	70	59.6 Å²	59.6	43%	0.429	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.7	169.8	-59.8	0	0	0	0	108.8	M73 Q74	T61-M73 WeakPolarHBondContact O-CA 3.42Å; T61-Q74 PolarHBondContact N-O 2.86Å; T61-Q74 PolarHBondContact O-N 2.79Å
62	F	98.3	Very high	96.3	Very high	11 Å²	11	58.5 Å²	58.5	5%	0.048	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136.5	177.7	-48.1	-45.7	0	0	0	111.4	W28 I40 I43 T50 Y52 A60 Y72 M73	W28-F62 HydrophobicContact CB-CE1 4.2Å; W28-F62 AromaticContact CD1-CD1 3.53Å; W28-F62 AromaticContact CD1-CE1 3.58Å; W28-F62 HydrophobicContact CG-CD1 4.3Å; W28-F62 HydrophobicContact CG-CE1 4.01Å; W28-F62 AromaticContact NE1-CD1 3.86Å; I40-F62 HydrophobicContact CG2-CE1 4.25Å; I40-F62 HydrophobicContact CG2-CZ 3.96Å; I43-F62 HydrophobicContact CB-CB 3.97Å; I43-F62 HydrophobicContact CD1-CB 4.12Å; I43-F62 HydrophobicContact CG2-CB 4.27Å; T50-F62 HydrophobicContact CG2-CB 4.03Å; T50-F62 HydrophobicContact CG2-CD2 4.16Å; Y52-F62 HydrophobicContact CD1-CD2 4.14Å; Y52-F62 AromaticContact CD1-CE2 3.42Å; Y52-F62 HydrophobicContact CD1-CE2 3.42Å; Y52-F62 VanDerWaalsContact CD1-CE2 3.42Å; Y52-F62 AromaticContact CD1-CZ 3.9Å; Y52-F62 HydrophobicContact CD1-CZ 3.9Å; Y52-F62 AromaticContact CE1-CD2 3.49Å; Y52-F62 HydrophobicContact CE1-CD2 3.49Å; Y52-F62 VanDerWaalsContact CE1-CD2 3.49Å; Y52-F62 HydrophobicContact CE1-CE1 4.5Å; Y52-F62 AromaticContact CE1-CE2 3.21Å; Y52-F62 HydrophobicContact CE1-CE2 3.21Å; Y52-F62 HydrophobicContact CE1-CG 4.23Å; Y52-F62 AromaticContact CE1-CZ 3.79Å; Y52-F62 HydrophobicContact CE1-CZ 3.79Å; Y52-F62 HydrophobicContact CE2-CD2 4.47Å; Y52-F62 HydrophobicContact CG-CE2 4.18Å; Y52-F62 AromaticContact CZ-CD2 3.67Å; Y52-F62 AromaticContact CZ-CE2 3.83Å; A60-F62 HydrophobicContact CB-CE1 3.88Å; A60-F62 HydrophobicContact CB-CZ 4.08Å; F62-Y72 WeakPolarHBondContact CA-O 3.14Å; F62-M73 HydrophobicContact CD1-CB 3.93Å; F62-M73 HydrophobicContact CD1-CG 3.84Å; F62-M73 HydrophobicContact CE1-CB 4.15Å; F62-M73 HydrophobicContact CE1-CG 3.66Å; F62-M73 HydrophobicContact CE1-SD 3.84Å
63	T	98	Very high	96.4	Very high	65 Å²	65	55.6 Å²	55.6	40%	0.399	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	160.4	173	53.9	0	0	0	0	109.6	A71 Y72	T63-A71 CarbonylContact O-C 3.6Å; T63-Y72 PolarHBondContact N-O 3.32Å; T63-Y72 PolarHBondContact O-N 2.87Å
64	A	97.8	Very high	96.4	Very high	38 Å²	38	57.7 Å²	57.7	31%	0.314	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	145.7	175.7	0	0	0	0	0	111.2	F21 I43 P45 T70	F21-A64 HydrophobicContact CE1-CB 4.19Å; F21-A64 HydrophobicContact CZ-CB 4.2Å; I43-A64 HydrophobicContact CD1-CB 4.05Å; P45-A64 HydrophobicContact CB-CB 3.67Å; P45-A64 HydrophobicContact CG-CB 4.1Å; A64-T70 WeakPolarHBondContact CA-O 3.32Å
65	D	97	Very high	96.5	Very high	55 Å²	55	51.4 Å²	51.4	29%	0.294	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	107	171.9	174	7.3	0	0	0	108.3	S67 S68 N69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 WeakPolarHBondContact OD1-CB 3.15Å; D65-S67 PolarHBondContact OD1-N 3.09Å; D65-S67 PolarHBondContact OD1-OG 2.9Å; D65-S67 PolarHBondContact OD2-OG 3.47Å; D65-S68 WeakPolarHBondContact CB-OG 3.45Å; D65-S68 PolarHBondContact OD1-N 3.13Å; D65-S68 VanDerWaalsContact OD2-CB 3.32Å; D65-S68 WeakPolarHBondContact OD2-CB 3.16Å; D65-S68 PolarHBondContact OD2-OG 3.22Å; D65-N69 WeakPolarHBondContact O-CA 3.22Å; D65-N69 PolarHBondContact O-N 2.86Å; D65-T70 PolarHBondContact N-O 3.32Å; D65-T70 PolarHBondContact O-N 2.97Å; D65-Y72 HydrophobicContact CB-CE2 4.15Å
66	T	95.8	Very high	96.6	Very high	74 Å²	74	45.4 Å²	45.4	45%	0.454	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-18.4	-178.9	52.6	0	0	0	0	112.9	F21 P45 N69	F21-T66 HydrophobicContact CD1-CG2 4.49Å; P45-T66 HydrophobicContact CB-CG2 4.09Å; P45-T66 WeakPolarHBondContact O-CG2 3.26Å; T66-N69 PolarHBondContact O-OD1 2.9Å
67	S	94.8	Very high	96.6	Very high	103 Å²	103	48.6 Å²	48.6	72%	0.72	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-37.6	176.2	74.8	0	0	0	0	111.6	D65	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 WeakPolarHBondContact OD1-CB 3.15Å; D65-S67 PolarHBondContact OD1-N 3.09Å; D65-S67 PolarHBondContact OD1-OG 2.9Å; D65-S67 PolarHBondContact OD2-OG 3.47Å
68	S	96.1	Very high	96.7	Very high	38 Å²	38	43 Å²	43	27%	0.266	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	1.8	177.5	68	0	0	0	0	113.9	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.45Å; D65-S68 PolarHBondContact OD1-N 3.13Å; D65-S68 VanDerWaalsContact OD2-CB 3.32Å; D65-S68 WeakPolarHBondContact OD2-CB 3.16Å; D65-S68 PolarHBondContact OD2-OG 3.22Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 2.99Å; S68-T70 PolarHBondContact O-OG1 2.86Å; S68-T70 VanDerWaalsContact O-OG1 3.04Å; S68-T70 PolarHBondContact OG-OG1 2.81Å
69	N	96	Very high	96.8	Very high	63 Å²	63	42.1 Å²	42.1	34%	0.337	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	43.5	-174.4	-64.5	-44	0	0	0	112.9	A16 F21 D65 T66	A16-N69 HydrophobicContact CB-CB 4.34Å; A16-N69 PolarHBondContact N-O 3.03Å; F21-N69 HydrophobicContact CB-CB 3.92Å; F21-N69 WeakPolarHBondContact CB-OD1 3.24Å; F21-N69 HydrophobicContact CD1-CB 4.15Å; F21-N69 HydrophobicContact CG-CB 4.01Å; D65-N69 WeakPolarHBondContact O-CA 3.22Å; D65-N69 PolarHBondContact O-N 2.86Å; T66-N69 PolarHBondContact O-OD1 2.9Å
70	T	97.4	Very high	96.7	Very high	10 Å²	10	43 Å²	43	6%	0.061	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.8	-174.5	-54.2	0	0	0	0	111.3	C14 F21 A64 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.6Å; C14-T70 WeakPolarHBondContact O-CA 3.22Å; F21-T70 VanDerWaalsContact CZ-C 3.47Å; A64-T70 WeakPolarHBondContact CA-O 3.32Å; D65-T70 PolarHBondContact N-O 3.32Å; D65-T70 PolarHBondContact O-N 2.97Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 2.99Å; S68-T70 PolarHBondContact O-OG1 2.86Å; S68-T70 VanDerWaalsContact O-OG1 3.04Å; S68-T70 PolarHBondContact OG-OG1 2.81Å; T70-Y72 HydrophobicContact CG2-CD1 4.23Å; T70-Y72 HydrophobicContact CG2-CD2 4.47Å; T70-Y72 HydrophobicContact CG2-CE1 3.59Å; T70-Y72 HydrophobicContact CG2-CE2 3.84Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.35Å; T70-Y72 WeakPolarHBondContact O-CE2 3.48Å
71	A	97.6	Very high	96.4	Very high	0 Å²	0	49 Å²	49	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	152.2	168.5	0	0	0	0	0	109.8	S13 C14 F21 I26 W28 I43 T63	S13-A71 CarbonylContact C-O 3.6Å; S13-A71 WeakPolarHBondContact CA-O 3.42Å; C14-A71 HydrophobicContact CB-CB 4.42Å; C14-A71 PolarHBondContact N-O 2.84Å; C14-A71 PolarHBondContact O-N 2.96Å; F21-A71 HydrophobicContact CE2-CB 4.15Å; F21-A71 HydrophobicContact CZ-CB 3.85Å; I26-A71 HydrophobicContact CB-CB 4.17Å; I26-A71 HydrophobicContact CG1-CB 4.24Å; I26-A71 HydrophobicContact CG2-CB 3.81Å; W28-A71 HydrophobicContact CZ2-CB 4.16Å; I43-A71 HydrophobicContact CG2-CB 4.42Å; T63-A71 CarbonylContact O-C 3.6Å
72	Y	98.1	Very high	96.2	Very high	54 Å²	54	46 Å²	46	21%	0.212	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	139.8	177.5	-53.4	-87.7	0	0	0	111	K11 I12 F62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.3Å; K11-Y72 VanDerWaalsContact CE-CB 3.5Å; K11-Y72 HydrophobicContact CG-CD1 4.29Å; I12-Y72 CarbonylContact O-C 3.52Å; I12-Y72 WeakPolarHBondContact O-CA 3.31Å; F62-Y72 WeakPolarHBondContact CA-O 3.14Å; T63-Y72 PolarHBondContact N-O 3.32Å; T63-Y72 PolarHBondContact O-N 2.87Å; D65-Y72 HydrophobicContact CB-CE2 4.15Å; T70-Y72 HydrophobicContact CG2-CD1 4.23Å; T70-Y72 HydrophobicContact CG2-CD2 4.47Å; T70-Y72 HydrophobicContact CG2-CE1 3.59Å; T70-Y72 HydrophobicContact CG2-CE2 3.84Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.35Å; T70-Y72 WeakPolarHBondContact O-CE2 3.48Å
73	M	98.1	Very high	96.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.2	164.2	175.4	-177.8	67.7	0	0	108.6	I12 W28 I40 A60 T61 F62 L75 Y86	I12-M73 HydrophobicContact CD1-CE 3.69Å; I12-M73 HydrophobicContact CG1-CE 4.34Å; I12-M73 PolarHBondContact N-O 2.97Å; I12-M73 PolarHBondContact O-N 2.8Å; W28-M73 HydrophobicContact CB-SD 3.91Å; W28-M73 HydrophobicContact CD2-CB 3.58Å; W28-M73 HydrophobicContact CD2-CE 4.47Å; W28-M73 HydrophobicContact CD2-CG 4.45Å; W28-M73 HydrophobicContact CD2-SD 4.21Å; W28-M73 HydrophobicContact CE3-CB 3.93Å; W28-M73 HydrophobicContact CE3-CE 4.05Å; W28-M73 HydrophobicContact CE3-SD 4.37Å; W28-M73 HydrophobicContact CG-CB 4.02Å; W28-M73 HydrophobicContact CG-SD 4.02Å; W28-M73 HydrophobicContact CH2-CB 4.15Å; W28-M73 HydrophobicContact CZ2-CB 3.86Å; W28-M73 HydrophobicContact CZ3-CB 4.19Å; I40-M73 HydrophobicContact CD1-CE 4.03Å; I40-M73 HydrophobicContact CD1-SD 3.68Å; I40-M73 HydrophobicContact CG2-SD 4.02Å; A60-M73 HydrophobicContact CB-CG 4.39Å; A60-M73 HydrophobicContact CB-SD 4.43Å; T61-M73 WeakPolarHBondContact O-CA 3.42Å; F62-M73 HydrophobicContact CD1-CB 3.93Å; F62-M73 HydrophobicContact CD1-CG 3.84Å; F62-M73 HydrophobicContact CE1-CB 4.15Å; F62-M73 HydrophobicContact CE1-CG 3.66Å; F62-M73 HydrophobicContact CE1-SD 3.84Å; M73-L75 HydrophobicContact CE-CD1 3.79Å; M73-L75 HydrophobicContact CE-CD2 4.31Å; M73-L75 HydrophobicContact CE-CG 3.93Å; M73-L75 HydrophobicContact CG-CD2 4.44Å; M73-L75 HydrophobicContact CG-CG 4.33Å; M73-L75 HydrophobicContact SD-CD2 4.05Å; M73-L75 HydrophobicContact SD-CG 4.21Å; M73-Y86 HydrophobicContact CE-CD1 3.59Å; M73-Y86 HydrophobicContact CE-CE1 4.11Å; M73-Y86 HydrophobicContact CE-CG 4.2Å
74	Q	97.9	Very high	96	Very high	86 Å²	86	44 Å²	44	40%	0.402	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.8	168.2	-177.2	171.6	-12.1	0	0	109	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.57Å; V10-Q74 WeakPolarHBondContact O-CA 3.12Å; A60-Q74 CarbonylContact C-O 3.58Å; A60-Q74 WeakPolarHBondContact CA-O 3.27Å; T61-Q74 PolarHBondContact N-O 2.86Å; T61-Q74 PolarHBondContact O-N 2.79Å
75	L	96.9	Very high	96	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.7	170.3	-67.4	168.5	0	0	0	108.5	S9 V10 I12 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.54Å; S9-L75 WeakPolarHBondContact CA-O 3.5Å; S9-L75 WeakPolarHBondContact CB-O 2.97Å; V10-L75 HydrophobicContact CG1-CB 4.03Å; V10-L75 HydrophobicContact CG1-CD1 4.28Å; V10-L75 PolarHBondContact N-O 2.93Å; V10-L75 PolarHBondContact O-N 2.92Å; I12-L75 HydrophobicContact CD1-CD1 4.48Å; K59-L75 WeakPolarHBondContact O-CA 2.99Å; A60-L75 HydrophobicContact CB-CD2 3.94Å; M73-L75 HydrophobicContact CE-CD1 3.79Å; M73-L75 HydrophobicContact CE-CD2 4.31Å; M73-L75 HydrophobicContact CE-CG 3.93Å; M73-L75 HydrophobicContact CG-CD2 4.44Å; M73-L75 HydrophobicContact CG-CG 4.33Å; M73-L75 HydrophobicContact SD-CD2 4.05Å; M73-L75 HydrophobicContact SD-CG 4.21Å; L75-L78 HydrophobicContact CB-CD2 3.89Å; L75-L78 HydrophobicContact CD1-CD2 4.41Å; L75-Y86 HydrophobicContact CD1-CD1 4.17Å; L75-Y86 HydrophobicContact CD1-CE1 3.49Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.49Å; L75-Y86 HydrophobicContact CD1-CE2 4.18Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.48Å
76	S	96.1	Very high	96	Very high	33 Å²	33	41.5 Å²	41.5	23%	0.231	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-102	159.7	176.9	58	0	0	0	0	111.8	K59 L78	K59-S76 WeakPolarHBondContact CE-O 3.24Å; K59-S76 WeakPolarHBondContact CG-O 3.41Å; K59-S76 PolarHBondContact O-N 2.98Å; K59-S76 PolarHBondContact O-OG 3.41Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 2.03Å
77	S	95.2	Very high	96.1	Very high	78 Å²	78	40.1 Å²	40.1	55%	0.545	23%	0.232	S	C	.	.	S	Bend	trans	50	53	171.7	-59	0	0	0	0	112.8	A8	A8-S77 PolarHBondContact O-N 3.33Å
78	L	95.5	Very high	96.1	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.203	C	C	.	.			trans	-58.7	140.9	-176	-71.4	174	0	0	0	112	M4 P6 G7 A8 V10 L75 S76 D82 V107	M4-L78 HydrophobicContact CB-CD1 3.91Å; M4-L78 HydrophobicContact CG-CD1 3.84Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.4Å; G7-L78 PolarHBondContact N-O 2.96Å; A8-L78 WeakPolarHBondContact O-CB 3.22Å; A8-L78 VanDerWaalsContact O-CG 3.32Å; A8-L78 WeakPolarHBondContact O-CG 3.37Å; A8-L78 PolarHBondContact O-N 3.18Å; V10-L78 HydrophobicContact CB-CD1 4.09Å; V10-L78 HydrophobicContact CG1-CD1 3.88Å; V10-L78 HydrophobicContact CG1-CD2 4.25Å; L75-L78 HydrophobicContact CB-CD2 3.89Å; L75-L78 HydrophobicContact CD1-CD2 4.41Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 2.03Å; L78-D82 WeakPolarHBondContact CA-OD2 3.35Å; L78-D82 HydrophobicContact CD2-CB 3.76Å; L78-V107 HydrophobicContact CB-CG1 4.22Å; L78-V107 HydrophobicContact CB-CG2 3.94Å; L78-V107 HydrophobicContact CD1-CG2 4.19Å; L78-V107 HydrophobicContact CD2-CG2 4.47Å; L78-V107 HydrophobicContact CG-CG2 4.44Å
79	T	94.7	Very high	96	Very high	55 Å²	55	34.3 Å²	34.3	34%	0.337	19%	0.192	S	C	.	.			trans	-122.6	166.9	172.5	65.9	0	0	0	0	109.8	E81 D82 V107	T79-E81 PolarHBondContact O-N 2.78Å; T79-E81 VanDerWaalsContact O-N 3.12Å; T79-D82 PolarHBondContact N-OD2 2.86Å; T79-D82 WeakPolarHBondContact O-CB 3.36Å; T79-D82 PolarHBondContact O-N 2.81Å; T79-D82 PolarHBondContact OG1-OD2 2.84Å; T79-V107 WeakPolarHBondContact O-CB 3.33Å; T79-V107 WeakPolarHBondContact O-CG2 3.46Å
80	S	92.9	Very high	95.8	Very high	66 Å²	66	32.9 Å²	32.9	46%	0.462	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-54.4	-31.9	176.5	54.4	0	0	0	0	112.6	D82 S83	S80-D82 PolarHBondContact O-N 2.87Å; S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 3.4Å; S80-S83 PolarHBondContact O-N 2.85Å; S80-S83 VanDerWaalsContact O-N 3.11Å; S80-S83 PolarHBondContact O-OG 3.05Å
81	E	91.6	Very high	95	Very high	130 Å²	130	35.5 Å²	35.5	61%	0.607	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-66.4	-16.4	176.2	-60.1	-172.3	172.5	0	0	114.3	K30 T79 S83	K30-E81 PolarHBondContact NZ-O 2.91Å; T79-E81 PolarHBondContact O-N 2.78Å; T79-E81 VanDerWaalsContact O-N 3.12Å; E81-S83 VanDerWaalsContact C-N 3.26Å
82	D	94.4	Very high	93.8	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.027	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-80.9	-5.3	173.9	-60.2	-47.4	0	0	0	113.4	K30 K59 L78 T79 S80 A84 Y86 V107	K30-D82 IonicContact NZ-OD1 3.19Å; K59-D82 WeakPolarHBondContact CE-OD1 3.3Å; K59-D82 WeakPolarHBondContact CE-OD2 3.25Å; K59-D82 IonicContact NZ-OD1 2.85Å; K59-D82 PolarHBondContact NZ-OD1 3Å; K59-D82 IonicContact NZ-OD2 2.58Å; K59-D82 PolarHBondContact NZ-OD2 2.92Å; L78-D82 WeakPolarHBondContact CA-OD2 3.35Å; L78-D82 HydrophobicContact CD2-CB 3.76Å; T79-D82 PolarHBondContact N-OD2 2.86Å; T79-D82 WeakPolarHBondContact O-CB 3.36Å; T79-D82 PolarHBondContact O-N 2.81Å; T79-D82 PolarHBondContact OG1-OD2 2.84Å; S80-D82 PolarHBondContact O-N 2.87Å; D82-A84 PolarHBondContact O-N 2.83Å; D82-Y86 VanDerWaalsContact O-CE2 3.32Å; D82-Y86 WeakPolarHBondContact O-CE2 3.17Å; D82-Y86 PolarHBondContact O-OH 3.2Å; D82-V107 HydrophobicContact CB-CG2 4.28Å
83	S	95.7	Very high	92.5	Very high	35 Å²	35	44.3 Å²	44.3	25%	0.245	23%	0.232	C	C	.	.			trans	-63.7	109.8	173.7	-59.8	0	0	0	0	110.4	S80 E81 V105 V107	S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 3.4Å; S80-S83 PolarHBondContact O-N 2.85Å; S80-S83 VanDerWaalsContact O-N 3.11Å; S80-S83 PolarHBondContact O-OG 3.05Å; E81-S83 VanDerWaalsContact C-N 3.26Å; S83-V105 WeakPolarHBondContact CA-O 3.44Å; S83-V107 PolarHBondContact OG-N 3.38Å; S83-V107 PolarHBondContact OG-O 2.88Å
84	A	96.4	Very high	90.9	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.008	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	166.7	-172.1	0	0	0	0	0	111.1	K30 Q31 R32 D82 Y86 V105	K30-A84 HydrophobicContact CD-CB 4.15Å; K30-A84 HydrophobicContact CG-CB 3.5Å; Q31-A84 WeakPolarHBondContact O-CA 3.43Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 3.32Å; R32-A84 HydrophobicContact CG-CB 4.18Å; D82-A84 PolarHBondContact O-N 2.83Å; A84-Y86 HydrophobicContact CB-CD2 4.35Å; A84-Y86 HydrophobicContact CB-CE2 3.85Å; A84-V105 PolarHBondContact N-O 3.39Å; A84-V105 VanDerWaalsContact N-O 3.14Å; A84-V105 PolarHBondContact O-N 2.76Å
85	V	97.2	Very high	89.4	Confident	38 Å²	38	59.3 Å²	59.3	23%	0.23	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	128.1	162	-171.6	0	0	0	0	108.2	Q31 Y87 L104	Q31-V85 PolarHBondContact N-O 2.87Å; Q31-V85 PolarHBondContact O-N 3.45Å; V85-Y87 HydrophobicContact CB-CE2 3.88Å; V85-Y87 HydrophobicContact CG1-CD1 4.4Å; V85-Y87 HydrophobicContact CG1-CD2 4.31Å; V85-Y87 HydrophobicContact CG1-CE1 3.75Å; V85-Y87 HydrophobicContact CG1-CE2 3.66Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.44Å; V85-L104 HydrophobicContact CG2-CD1 4.11Å
86	Y	97.5	Very high	88	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.008	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.6	178.8	-70.6	-89.4	0	0	0	109.8	I12 V29 K30 I40 M73 L75 D82 A84 G102 T103 V105	I12-Y86 HydrophobicContact CD1-CD1 4.29Å; I12-Y86 HydrophobicContact CD1-CD2 3.9Å; I12-Y86 HydrophobicContact CD1-CG 3.65Å; V29-Y86 CarbonylContact O-C 3.54Å; V29-Y86 WeakPolarHBondContact O-CA 3.27Å; K30-Y86 HydrophobicContact CB-CD1 4.17Å; K30-Y86 HydrophobicContact CB-CE1 3.93Å; K30-Y86 HydrophobicContact CD-CE1 4Å; K30-Y86 HydrophobicContact CG-CD1 4.32Å; K30-Y86 HydrophobicContact CG-CE1 3.79Å; I40-Y86 HydrophobicContact CD1-CD1 3.67Å; I40-Y86 HydrophobicContact CD1-CE1 3.75Å; M73-Y86 HydrophobicContact CE-CD1 3.59Å; M73-Y86 HydrophobicContact CE-CE1 4.11Å; M73-Y86 HydrophobicContact CE-CG 4.2Å; L75-Y86 HydrophobicContact CD1-CD1 4.17Å; L75-Y86 HydrophobicContact CD1-CE1 3.49Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.49Å; L75-Y86 HydrophobicContact CD1-CE2 4.18Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.48Å; D82-Y86 VanDerWaalsContact O-CE2 3.32Å; D82-Y86 WeakPolarHBondContact O-CE2 3.17Å; D82-Y86 PolarHBondContact O-OH 3.2Å; A84-Y86 HydrophobicContact CB-CD2 4.35Å; A84-Y86 HydrophobicContact CB-CE2 3.85Å; Y86-G102 CarbonylContact O-C 3.53Å; Y86-G102 VanDerWaalsContact O-CA 3.26Å; Y86-G102 WeakPolarHBondContact O-CA 3.32Å; Y86-T103 PolarHBondContact N-O 2.82Å; Y86-T103 PolarHBondContact O-N 3.48Å; Y86-V105 HydrophobicContact CD2-CB 3.96Å; Y86-V105 HydrophobicContact CD2-CG2 3.72Å; Y86-V105 HydrophobicContact CE2-CB 3.82Å; Y86-V105 HydrophobicContact CE2-CG2 3.98Å
87	Y	96.9	Very high	86.8	Confident	45 Å²	45	63.9 Å²	63.9	18%	0.176	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	149.4	179.3	-56.1	-86.8	0	0	0	110.3	W28 V29 Q31 V85 W99	W28-Y87 WeakPolarHBondContact CA-O 3.21Å; V29-Y87 PolarHBondContact N-O 2.77Å; V29-Y87 PolarHBondContact O-N 3.19Å; Q31-Y87 HydrophobicContact CB-CD2 4.41Å; Q31-Y87 HydrophobicContact CB-CE2 3.74Å; Q31-Y87 PolarHBondContact OE1-OH 3.06Å; V85-Y87 HydrophobicContact CB-CE2 3.88Å; V85-Y87 HydrophobicContact CG1-CD1 4.4Å; V85-Y87 HydrophobicContact CG1-CD2 4.31Å; V85-Y87 HydrophobicContact CG1-CE1 3.75Å; V85-Y87 HydrophobicContact CG1-CE2 3.66Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.44Å; Y87-W99 HydrophobicContact CG-CE3 4.12Å; Y87-W99 HydrophobicContact CG-CZ3 4.28Å
88	C	95.9	Very high	86.4	Confident	16 Å²	16	67.7 Å²	67.7	11%	0.108	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	149.1	157.4	63.6	0	0	0	0	109.7	C14 I26 E27 W28 G100	C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 3.38Å; C14-C88 WeakPolarHBondContact SG-CB 3.47Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.18Å; I26-C88 HydrophobicContact CG2-CB 4.26Å; E27-C88 CarbonylContact O-C 3.56Å; E27-C88 WeakPolarHBondContact O-CA 3.47Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.05Å; W28-C88 HydrophobicContact CH2-CB 4.24Å; W28-C88 HydrophobicContact CZ3-CB 3.94Å; C88-G100 PolarHBondContact O-N 2.6Å
89	A	94.1	Very high	86.2	Confident	3 Å²	3	72.5 Å²	72.5	3%	0.025	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	148.1	173.8	0	0	0	0	0	111	I26 E27 Y96 Y98 W99	I26-A89 WeakPolarHBondContact CA-O 3.05Å; E27-A89 PolarHBondContact N-O 2.82Å; E27-A89 PolarHBondContact O-N 3.37Å; A89-Y96 HydrophobicContact CB-CD1 3.71Å; A89-Y96 HydrophobicContact CB-CE1 4.22Å; A89-Y98 CarbonylContact C-O 3.56Å; A89-Y98 VanDerWaalsContact CA-O 3.24Å; A89-Y98 WeakPolarHBondContact CA-O 3.38Å; A89-W99 HydrophobicContact CB-CD2 3.77Å; A89-W99 HydrophobicContact CB-CE3 3.99Å; A89-W99 HydrophobicContact CB-CG 4.2Å; A89-W99 HydrophobicContact CB-CH2 4.41Å; A89-W99 HydrophobicContact CB-CZ2 4.22Å; A89-W99 HydrophobicContact CB-CZ3 4.31Å
90	R	90.9	Very high	86.1	Confident	32 Å²	32	71.2 Å²	71.2	12%	0.121	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	124.2	172.5	-170.5	-171.1	78.4	-179.8	9.1	109.4	Y19 Y24 A97 Y98	Y19-R90 HydrophobicContact CE2-CG 4.11Å; Y24-R90 HydrophobicContact CD1-CG 4.45Å; Y24-R90 HydrophobicContact CG-CG 4.18Å; R90-A97 VanDerWaalsContact NH2-CB 3.3Å; R90-A97 PolarHBondContact O-N 3.25Å; R90-Y98 VanDerWaalsContact CZ-CE2 3.5Å; R90-Y98 PolarHBondContact N-O 2.95Å
91	W	82	Confident	86.1	Confident	65 Å²	65	77.2 Å²	77.2	25%	0.246	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129.6	175.6	-177.3	-98.5	0	0	0	111.7	W25 E27 Y94 Y96	W25-W91 HydrophobicContact CB-CB 4.06Å; W25-W91 PolarHBondContact O-N 3.25Å; E27-W91 HydrophobicContact CG-CB 3.98Å; E27-W91 VanDerWaalsContact OE1-CB 3.22Å; E27-W91 WeakPolarHBondContact OE1-CB 3.3Å; W91-Y94 HydrophobicContact CZ2-CD1 4.4Å; W91-Y96 AromaticContact CE3-CD1 3.73Å; W91-Y96 HydrophobicContact CE3-CD1 3.73Å; W91-Y96 HydrophobicContact CE3-CD2 4.11Å; W91-Y96 AromaticContact CE3-CE1 3.7Å; W91-Y96 HydrophobicContact CE3-CE1 3.7Å; W91-Y96 HydrophobicContact CE3-CE2 4.07Å; W91-Y96 AromaticContact CE3-CG 3.92Å; W91-Y96 HydrophobicContact CE3-CG 3.92Å; W91-Y96 AromaticContact CE3-CZ 3.83Å; W91-Y96 HydrophobicContact CZ3-CD1 4.15Å; W91-Y96 AromaticContact CZ3-CD2 3.69Å; W91-Y96 HydrophobicContact CZ3-CD2 3.69Å; W91-Y96 AromaticContact CZ3-CE1 3.98Å; W91-Y96 HydrophobicContact CZ3-CE1 3.98Å; W91-Y96 AromaticContact CZ3-CE2 3.49Å; W91-Y96 HydrophobicContact CZ3-CE2 3.49Å; W91-Y96 VanDerWaalsContact CZ3-CE2 3.49Å; W91-Y96 AromaticContact CZ3-CG 3.99Å; W91-Y96 HydrophobicContact CZ3-CG 3.99Å; W91-Y96 AromaticContact CZ3-CZ 3.61Å
92	R	72.4	Confident	86.2	Confident	121 Å²	121	72.3 Å²	72.3	46%	0.457	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	132	175.2	-178.2	-172.1	-174.3	166.4	4.5	108.9	Y24 Y94 R95	Y24-R92 HydrophobicContact CD1-CB 3.83Å; Y24-R92 HydrophobicContact CD1-CG 4.06Å; Y24-R92 HydrophobicContact CE1-CB 3.82Å; Y24-R92 VanDerWaalsContact CE1-CD 3.47Å; Y24-R92 HydrophobicContact CE1-CG 3.58Å; Y24-R92 PolarHBondContact OH-NH1 3.39Å; R92-Y94 VanDerWaalsContact C-N 3.31Å; R92-Y94 PolarHBondContact O-N 2.92Å; R92-R95 PolarHBondContact N-O 2.99Å; R92-R95 VanDerWaalsContact N-O 3.13Å; R92-R95 PolarHBondContact O-N 3.04Å
93	D	69.3	Low	86.3	Confident	119 Å²	119	75 Å²	75	64%	0.636	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	48.7	169	-54.9	-35.6	0	0	0	113.4	R95	D93-R95 VanDerWaalsContact C-N 3.28Å; D93-R95 PolarHBondContact O-N 3.35Å
94	Y	64.9	Low	86.3	Confident	205 Å²	205	77.5 Å²	77.5	80%	0.804	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	19	-179.8	-51.2	-82.6	0	0	0	116.2	W91 R92	W91-Y94 HydrophobicContact CZ2-CD1 4.4Å; R92-Y94 VanDerWaalsContact C-N 3.31Å; R92-Y94 PolarHBondContact O-N 2.92Å
95	R	67.4	Low	86.2	Confident	196 Å²	196	77.6 Å²	77.6	74%	0.74	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.6	176.9	-61.4	-172	-174.6	-149.8	1.6	112.2	R92 D93 A97	R92-R95 PolarHBondContact N-O 2.99Å; R92-R95 VanDerWaalsContact N-O 3.13Å; R92-R95 PolarHBondContact O-N 3.04Å; D93-R95 VanDerWaalsContact C-N 3.28Å; D93-R95 PolarHBondContact O-N 3.35Å; R95-A97 PolarHBondContact O-N 3.03Å; R95-A97 VanDerWaalsContact O-N 3.09Å
96	Y	66	Low	86.2	Confident	93 Å²	93	78.2 Å²	78.2	37%	0.365	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	100	161.5	-67.5	-70.2	0	0	0	109.1	E27 A89 W91 W99	E27-Y96 HydrophobicContact CB-CE1 4.29Å; E27-Y96 HydrophobicContact CG-CE1 4.23Å; E27-Y96 WeakPolarHBondContact OE2-CE1 3.42Å; E27-Y96 VanDerWaalsContact OE2-CZ 3.23Å; E27-Y96 PolarHBondContact OE2-OH 3.12Å; A89-Y96 HydrophobicContact CB-CD1 3.71Å; A89-Y96 HydrophobicContact CB-CE1 4.22Å; W91-Y96 AromaticContact CE3-CD1 3.73Å; W91-Y96 HydrophobicContact CE3-CD1 3.73Å; W91-Y96 HydrophobicContact CE3-CD2 4.11Å; W91-Y96 AromaticContact CE3-CE1 3.7Å; W91-Y96 HydrophobicContact CE3-CE1 3.7Å; W91-Y96 HydrophobicContact CE3-CE2 4.07Å; W91-Y96 AromaticContact CE3-CG 3.92Å; W91-Y96 HydrophobicContact CE3-CG 3.92Å; W91-Y96 AromaticContact CE3-CZ 3.83Å; W91-Y96 HydrophobicContact CZ3-CD1 4.15Å; W91-Y96 AromaticContact CZ3-CD2 3.69Å; W91-Y96 HydrophobicContact CZ3-CD2 3.69Å; W91-Y96 AromaticContact CZ3-CE1 3.98Å; W91-Y96 HydrophobicContact CZ3-CE1 3.98Å; W91-Y96 AromaticContact CZ3-CE2 3.49Å; W91-Y96 HydrophobicContact CZ3-CE2 3.49Å; W91-Y96 VanDerWaalsContact CZ3-CE2 3.49Å; W91-Y96 AromaticContact CZ3-CG 3.99Å; W91-Y96 HydrophobicContact CZ3-CG 3.99Å; W91-Y96 AromaticContact CZ3-CZ 3.61Å; Y96-W99 AromaticContact CD1-CZ2 3.84Å; Y96-W99 HydrophobicContact CD1-CZ2 3.84Å; Y96-W99 HydrophobicContact CD2-CZ2 4.17Å; Y96-W99 HydrophobicContact CE1-CZ2 4.18Å; Y96-W99 AromaticContact CG-CZ2 3.85Å; Y96-W99 HydrophobicContact CG-CZ2 3.85Å
97	A	72.8	Confident	86	Confident	36 Å²	36	78.5 Å²	78.5	30%	0.298	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-38.1	-174.4	0	0	0	0	0	112	R90 R95	R90-A97 VanDerWaalsContact NH2-CB 3.3Å; R90-A97 PolarHBondContact O-N 3.25Å; R95-A97 PolarHBondContact O-N 3.03Å; R95-A97 VanDerWaalsContact O-N 3.09Å
98	Y	85.6	Confident	85.7	Confident	158 Å²	158	78.3 Å²	78.3	62%	0.62	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152	141.4	-177.6	-63.3	-78.2	0	0	0	111.1	A89 R90	A89-Y98 CarbonylContact C-O 3.56Å; A89-Y98 VanDerWaalsContact CA-O 3.24Å; A89-Y98 WeakPolarHBondContact CA-O 3.38Å; R90-Y98 VanDerWaalsContact CZ-CE2 3.5Å; R90-Y98 PolarHBondContact N-O 2.95Å
99	W	91.4	Very high	84.8	Confident	102 Å²	102	84.3 Å²	84.3	39%	0.386	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	142.4	176.6	-70.9	76.9	0	0	0	110.5	V29 L37 Y87 A89 Y96	V29-W99 HydrophobicContact CB-CH2 4.05Å; V29-W99 HydrophobicContact CB-CZ3 3.81Å; V29-W99 HydrophobicContact CG1-CH2 4.03Å; V29-W99 HydrophobicContact CG1-CZ3 4.04Å; V29-W99 HydrophobicContact CG2-CH2 3.74Å; V29-W99 HydrophobicContact CG2-CZ3 3.89Å; L37-W99 HydrophobicContact CD1-CH2 3.85Å; L37-W99 HydrophobicContact CD1-CZ2 4.34Å; L37-W99 HydrophobicContact CD1-CZ3 4.43Å; Y87-W99 HydrophobicContact CG-CE3 4.12Å; Y87-W99 HydrophobicContact CG-CZ3 4.28Å; A89-W99 HydrophobicContact CB-CD2 3.77Å; A89-W99 HydrophobicContact CB-CE3 3.99Å; A89-W99 HydrophobicContact CB-CG 4.2Å; A89-W99 HydrophobicContact CB-CH2 4.41Å; A89-W99 HydrophobicContact CB-CZ2 4.22Å; A89-W99 HydrophobicContact CB-CZ3 4.31Å; Y96-W99 AromaticContact CD1-CZ2 3.84Å; Y96-W99 HydrophobicContact CD1-CZ2 3.84Å; Y96-W99 HydrophobicContact CD2-CZ2 4.17Å; Y96-W99 HydrophobicContact CE1-CZ2 4.18Å; Y96-W99 AromaticContact CG-CZ2 3.85Å; Y96-W99 HydrophobicContact CG-CZ2 3.85Å
100	G	92.3	Very high	84.4	Confident	28 Å²	28	88.4 Å²	88.4	29%	0.289	44%	0.441	S	S	.	.			trans	-70.8	164.2	165.8	0	0	0	0	0	111.6	C88 G102	C88-G100 PolarHBondContact O-N 2.6Å; G100-G102 PolarHBondContact O-N 3.42Å; G100-G102 VanDerWaalsContact O-N 3.16Å
101	Q	92.9	Very high	84	Confident	191 Å²	191	91.3 Å²	91.3	89%	0.893	46%	0.457	S	S	*	.			trans	-65.8	-16.3	-179.2	-66.4	-64.7	-42.5	0	0	113.9
102	G	94.4	Very high	84.1	Confident	28 Å²	28	92.8 Å²	92.8	29%	0.289	47%	0.469	S	S	.	.			trans	87	151.2	-177.9	0	0	0	0	0	113.2	Y86 G100	Y86-G102 CarbonylContact O-C 3.53Å; Y86-G102 VanDerWaalsContact O-CA 3.26Å; Y86-G102 WeakPolarHBondContact O-CA 3.32Å; G100-G102 PolarHBondContact O-N 3.42Å; G100-G102 VanDerWaalsContact O-N 3.16Å
103	T	96	Very high	84.8	Confident	62 Å²	62	91.1 Å²	91.1	38%	0.38	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	117.2	178.3	-61.4	0	0	0	0	108.8	I12 Y86 V105	I12-T103 HydrophobicContact CG2-CG2 4.3Å; Y86-T103 PolarHBondContact N-O 2.82Å; Y86-T103 PolarHBondContact O-N 3.48Å; T103-V105 HydrophobicContact CG2-CG2 4.49Å; T103-V105 PolarHBondContact O-N 2.98Å
104	L	96.2	Very high	85.8	Confident	86 Å²	86	89.4 Å²	89.4	45%	0.45	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	117.7	173.4	177.8	62.3	0	0	0	110	A1 V85	A1-L104 HydrophobicContact CB-CB 4.49Å; A1-L104 HydrophobicContact CB-CD2 3.95Å; A1-L104 HydrophobicContact CB-CG 4.25Å; V85-L104 HydrophobicContact CG2-CD1 4.11Å
105	V	95.1	Very high	87.2	Confident	4 Å²	4	81.7 Å²	81.7	2%	0.024	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	131.3	168.8	177.6	0	0	0	0	107.9	V10 I12 S83 A84 Y86 T103 V107	V10-V105 HydrophobicContact CG1-CG1 4.34Å; V10-V105 HydrophobicContact CG1-CG2 4.38Å; I12-V105 HydrophobicContact CD1-CG2 3.84Å; S83-V105 WeakPolarHBondContact CA-O 3.44Å; A84-V105 PolarHBondContact N-O 3.39Å; A84-V105 VanDerWaalsContact N-O 3.14Å; A84-V105 PolarHBondContact O-N 2.76Å; Y86-V105 HydrophobicContact CD2-CB 3.96Å; Y86-V105 HydrophobicContact CD2-CG2 3.72Å; Y86-V105 HydrophobicContact CE2-CB 3.82Å; Y86-V105 HydrophobicContact CE2-CG2 3.98Å; T103-V105 HydrophobicContact CG2-CG2 4.49Å; T103-V105 PolarHBondContact O-N 2.98Å; V105-V107 HydrophobicContact CG1-CG2 4.32Å
106	T	95.3	Very high	88.6	Confident	51 Å²	51	73.5 Å²	73.5	31%	0.313	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.7	176.7	-54.4	0	0	0	0	108.4	E2 L3 M4	E2-T106 PolarHBondContact O-N 3.17Å; L3-T106 WeakPolarHBondContact CA-O 3.49Å; L3-T106 HydrophobicContact CD1-CG2 3.85Å; M4-T106 PolarHBondContact N-O 2.91Å
107	V	93.8	Very high	90.4	Very high	7 Å²	7	72 Å²	72	4%	0.042	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.6	177.7	-170.6	0	0	0	0	107.5	M4 P6 L78 T79 D82 S83 V105	M4-V107 HydrophobicContact CB-CG2 4.25Å; M4-V107 CarbonylContact O-C 3.47Å; M4-V107 WeakPolarHBondContact O-CA 3.32Å; P6-V107 HydrophobicContact CG-CG1 4.32Å; L78-V107 HydrophobicContact CB-CG1 4.22Å; L78-V107 HydrophobicContact CB-CG2 3.94Å; L78-V107 HydrophobicContact CD1-CG2 4.19Å; L78-V107 HydrophobicContact CD2-CG2 4.47Å; L78-V107 HydrophobicContact CG-CG2 4.44Å; T79-V107 WeakPolarHBondContact O-CB 3.33Å; T79-V107 WeakPolarHBondContact O-CG2 3.46Å; D82-V107 HydrophobicContact CB-CG2 4.28Å; S83-V107 PolarHBondContact OG-N 3.38Å; S83-V107 PolarHBondContact OG-O 2.88Å; V105-V107 HydrophobicContact CG1-CG2 4.32Å
108	S	90.7	Very high	91.8	Very high	41 Å²	41	75 Å²	75	29%	0.287	43%	0.429	S	S	.	.			trans	-61.5	149.4	176.6	69.9	0	0	0	0	110.4	M4 P6	M4-S108 PolarHBondContact O-N 2.61Å; P6-S108 WeakPolarHBondContact CD-O 3.48Å; P6-S108 VanDerWaalsContact CD-OG 3.28Å; P6-S108 WeakPolarHBondContact CD-OG 3.36Å; P6-S108 VanDerWaalsContact CG-O 3.24Å; P6-S108 WeakPolarHBondContact CG-O 3.23Å
109	A	78.1	Confident	92.4	Very high	142 Å²	142	67.5 Å²	67.5	100%	1.174	41%	0.412	S	S	*	.			trans	-64.1	0	169.5	0	0	0	0	0	111.3

Retrieved 109 of 109 residues in 26.2 ms (Link to these results)

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