X5J5C3_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5C3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 121 aa.

						>X5J5C3_MOUSE|X5J5C3
AELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGRGLEWIGRIDPNSGGTKYNEKFKSKATLTVDKPSSTAYMQLSSLTSEDTAVYYCTTEGDIGDYSNYWYFDVWGTGTTVTVSSESQSF
					

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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	83.3	Confident	94.1	Very high	106 Å²	106	74.5 Å²	74.5	88%	0.876	45%	0.449	S	S	*	.				0	139.9	0	0	0	0	0	0	107.3	T111	A1-T111 CarbonylContact C-O 3.56Å; A1-T111 WeakPolarHBondContact CA-O 3.18Å; A1-T111 WeakPolarHBondContact CB-O 3.08Å
2	E	89.9	Confident	94.3	Very high	88 Å²	88	68.8 Å²	68.8	41%	0.411	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.6	-173.3	-62.5	-63.6	150.7	0	0	109.3	V10 L12 T110 T111 V112 T113	E2-V10 HydrophobicContact CB-CG2 3.97Å; E2-V10 HydrophobicContact CG-CG2 3.76Å; E2-L12 HydrophobicContact CG-CD2 4.4Å; E2-T110 HydrophobicContact CG-CG2 4.31Å; E2-T111 PolarHBondContact N-O 2.98Å; E2-V112 HydrophobicContact CB-CG2 4.28Å; E2-V112 CarbonylContact O-C 3.54Å; E2-V112 WeakPolarHBondContact O-CA 3.35Å; E2-T113 PolarHBondContact O-N 3.09Å
3	L	93.9	Very high	94.3	Very high	86 Å²	86	69.2 Å²	69.2	45%	0.45	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	119.9	170.8	177.9	65	0	0	0	108.4	T113 Q119	L3-T113 WeakPolarHBondContact CA-O 3.27Å; L3-T113 HydrophobicContact CD1-CG2 3.74Å; L3-Q119 HydrophobicContact CD2-CG 4.06Å
4	V	94.5	Very high	94.2	Very high	23 Å²	23	64.6 Å²	64.6	14%	0.139	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	155.7	-174.5	-61.4	0	0	0	0	111.2	A8 L78 V112 T113 V114 S115	V4-A8 HydrophobicContact CB-CB 4.15Å; V4-L78 HydrophobicContact CG2-CD1 3.62Å; V4-V112 HydrophobicContact CG2-CG1 4.27Å; V4-T113 PolarHBondContact N-O 3.25Å; V4-V114 HydrophobicContact CG2-CB 4.46Å; V4-V114 HydrophobicContact CG2-CG1 4.5Å; V4-V114 HydrophobicContact CG2-CG2 3.89Å; V4-V114 VanDerWaalsContact O-CA 3.31Å; V4-V114 WeakPolarHBondContact O-CA 3.49Å; V4-S115 PolarHBondContact O-N 3.45Å
5	K	94.6	Very high	94	Very high	155 Å²	155	70.3 Å²	70.3	67%	0.674	41%	0.411	S	S	*	.			trans	-80.5	153.5	174.7	-66.8	-177.8	179.9	-179.5	0	110.8	A8	K5-A8 WeakPolarHBondContact O-CB 3.42Å; K5-A8 PolarHBondContact O-N 3.27Å; K5-A8 VanDerWaalsContact O-N 3.13Å
6	P	96.4	Very high	93.5	Very high	74 Å²	74	66.6 Å²	66.6	48%	0.481	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	140.6	169	-25.2	33.8	0	0	0	112	A8 L78 V114	P6-A8 VanDerWaalsContact C-N 3.25Å; P6-A8 PolarHBondContact O-N 3.02Å; P6-L78 CarbonylContact C-O 3.54Å; P6-L78 WeakPolarHBondContact CA-O 3.25Å; P6-V114 HydrophobicContact CB-CG1 4.36Å; P6-V114 HydrophobicContact CG-CG1 4.1Å
7	G	95.4	Very high	92.9	Very high	56 Å²	56	67.7 Å²	67.7	58%	0.577	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	-14.1	-176	0	0	0	0	0	114.8	L78	G7-L78 PolarHBondContact N-O 2.88Å
8	A	96.2	Very high	92.2	Very high	34 Å²	34	68.8 Å²	68.8	28%	0.281	43%	0.432	S	S	.	.			trans	-68.3	167.1	177.1	0	0	0	0	0	112.2	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.15Å; K5-A8 WeakPolarHBondContact O-CB 3.42Å; K5-A8 PolarHBondContact O-N 3.27Å; K5-A8 VanDerWaalsContact O-N 3.13Å; P6-A8 VanDerWaalsContact C-N 3.25Å; P6-A8 PolarHBondContact O-N 3.02Å; A8-S77 PolarHBondContact O-N 3.24Å; A8-L78 WeakPolarHBondContact O-CB 3.28Å; A8-L78 WeakPolarHBondContact O-CG 3.14Å; A8-L78 PolarHBondContact O-N 2.97Å
9	S	96.9	Very high	91.4	Very high	64 Å²	64	68.1 Å²	68.1	45%	0.448	42%	0.42	S	S	.	.			trans	-116.1	148	170.6	-57.6	0	0	0	0	109.9	L75 S76	S9-L75 CarbonylContact C-O 3.59Å; S9-L75 WeakPolarHBondContact CA-O 3.01Å; S9-L75 VanDerWaalsContact CB-O 3.32Å; S9-L75 WeakPolarHBondContact CB-O 2.96Å; S9-S76 WeakPolarHBondContact OG-CA 3.43Å
10	V	96.9	Very high	91.2	Very high	11 Å²	11	69.1 Å²	69.1	7%	0.067	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	145.1	175.2	75.1	0	0	0	0	109.8	E2 L12 Q74 L75 L78 V112	E2-V10 HydrophobicContact CB-CG2 3.97Å; E2-V10 HydrophobicContact CG-CG2 3.76Å; V10-L12 HydrophobicContact CG1-CD2 4.2Å; V10-L12 HydrophobicContact CG1-CG 4.4Å; V10-L12 HydrophobicContact CG2-CD2 3.98Å; V10-Q74 CarbonylContact O-C 3.41Å; V10-Q74 VanDerWaalsContact O-CA 3.31Å; V10-Q74 WeakPolarHBondContact O-CA 2.94Å; V10-L75 HydrophobicContact CG1-CB 4.15Å; V10-L75 HydrophobicContact CG1-CD1 4.31Å; V10-L75 PolarHBondContact N-O 3.25Å; V10-L75 PolarHBondContact O-N 2.92Å; V10-L78 HydrophobicContact CB-CD1 4.05Å; V10-L78 HydrophobicContact CG1-CD1 3.81Å; V10-V112 HydrophobicContact CG1-CG1 4.41Å; V10-V112 HydrophobicContact CG1-CG2 4.38Å
11	K	97.3	Very high	91	Very high	122 Å²	122	66.2 Å²	66.2	53%	0.53	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	114	173.7	-174.9	176.9	178.5	-178	0	109.1	Y72 M73	K11-Y72 HydrophobicContact CD-CD1 4.38Å; K11-Y72 VanDerWaalsContact CE-CG 3.43Å; K11-Y72 HydrophobicContact CG-CD1 4.33Å; K11-M73 WeakPolarHBondContact CA-O 3.13Å
12	L	96.1	Very high	91.3	Very high	6 Å²	6	63.5 Å²	63.5	3%	0.031	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	146	175.6	-52.2	-173.5	0	0	0	109.5	E2 V10 W28 Y72 M73 Y86 T110 V112	E2-L12 HydrophobicContact CG-CD2 4.4Å; V10-L12 HydrophobicContact CG1-CD2 4.2Å; V10-L12 HydrophobicContact CG1-CG 4.4Å; V10-L12 HydrophobicContact CG2-CD2 3.98Å; L12-W28 HydrophobicContact CB-CH2 4.03Å; L12-W28 HydrophobicContact CB-CZ3 3.89Å; L12-W28 HydrophobicContact CD1-CZ3 4.48Å; L12-Y72 CarbonylContact O-C 3.39Å; L12-Y72 WeakPolarHBondContact O-CA 3.33Å; L12-M73 HydrophobicContact CD1-CE 3.75Å; L12-M73 PolarHBondContact N-O 2.84Å; L12-M73 PolarHBondContact O-N 2.79Å; L12-Y86 VanDerWaalsContact CD1-CB 3.46Å; L12-Y86 HydrophobicContact CD1-CD1 4.4Å; L12-Y86 HydrophobicContact CD1-CD2 4.18Å; L12-Y86 HydrophobicContact CD1-CG 3.76Å; L12-T110 HydrophobicContact CD2-CG2 3.92Å; L12-V112 HydrophobicContact CD1-CG2 4.24Å; L12-V112 HydrophobicContact CD2-CG2 3.98Å
13	S	94.8	Very high	91.2	Very high	75 Å²	75	62.7 Å²	62.7	52%	0.524	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	150	177	61.6	0	0	0	0	111.1	A71 Y72	S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.29Å; S13-Y72 VanDerWaalsContact CB-CE1 3.44Å
14	C	92.2	Very high	90.7	Very high	5 Å²	5	61.9 Å²	61.9	3%	0.034	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	105.6	174.6	-178.9	0	0	0	0	108.3	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.83Å; C14-W28 HydrophobicContact CB-CZ2 3.93Å; C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.21Å; C14-A71 PolarHBondContact N-O 2.91Å; C14-A71 PolarHBondContact O-N 2.89Å; C14-C88 HydrophobicContact CB-CB 3.41Å; C14-C88 VanDerWaalsContact CB-CB 3.41Å; C14-C88 WeakPolarHBondContact CB-SG 3.43Å; C14-C88 WeakPolarHBondContact SG-CB 3.32Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.04Å
15	K	91.1	Very high	90.5	Very high	149 Å²	149	64.2 Å²	64.2	65%	0.648	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	133.2	179.6	-176.4	173.8	-177.9	179.6	0	110
16	A	86.1	Confident	90.3	Very high	11 Å²	11	56.9 Å²	56.9	9%	0.091	35%	0.35	C	S	.	.			trans	-85.1	141.7	179.7	0	0	0	0	0	114.4	F21 S69 W106	A16-F21 HydrophobicContact CB-CB 4.12Å; A16-F21 HydrophobicContact CB-CD2 3.3Å; A16-F21 HydrophobicContact CB-CE2 3.96Å; A16-F21 HydrophobicContact CB-CG 3.98Å; A16-S69 VanDerWaalsContact CB-O 3.27Å; A16-S69 WeakPolarHBondContact CB-O 3.43Å; A16-S69 PolarHBondContact N-O 3.16Å; A16-W106 HydrophobicContact CB-CE3 4.18Å; A16-W106 HydrophobicContact CB-CH2 4.25Å; A16-W106 HydrophobicContact CB-CZ3 3.38Å
17	S	83.3	Confident	90.1	Very high	86 Å²	86	53.6 Å²	53.6	60%	0.601	33%	0.329	S	S	*	.			trans	-151.2	129.5	179.7	61.7	0	0	0	0	113.1	W106	S17-W106 VanDerWaalsContact C-CH2 3.44Å; S17-W106 WeakPolarHBondContact O-CH2 3.4Å; S17-W106 WeakPolarHBondContact O-CZ2 3.46Å
18	G	79.9	Confident	90.1	Very high	88 Å²	88	51.1 Å²	51.1	91%	0.907	30%	0.302	S	S	*	.	S	Bend	trans	96.3	2.3	174	0	0	0	0	0	115.5
19	Y	78.1	Confident	90	Very high	54 Å²	54	49.9 Å²	49.9	21%	0.212	29%	0.291	C	S	.	.	S	Bend	trans	-150.1	169.7	168	67	-109.3	0	0	0	111.1	F21 Y24 T90 W106	Y19-F21 PolarHBondContact O-N 3.02Å; Y19-F21 VanDerWaalsContact O-N 3.16Å; Y19-Y24 HydrophobicContact CD1-CD2 4.47Å; Y19-Y24 AromaticContact CD2-CD2 3.45Å; Y19-Y24 HydrophobicContact CD2-CD2 3.45Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.45Å; Y19-Y24 AromaticContact CD2-CE2 3.92Å; Y19-Y24 HydrophobicContact CD2-CE2 3.92Å; Y19-Y24 AromaticContact CE2-CD2 3.72Å; Y19-Y24 HydrophobicContact CE2-CD2 3.72Å; Y19-Y24 AromaticContact CG-CD2 3.95Å; Y19-Y24 HydrophobicContact CG-CD2 3.95Å; Y19-Y24 HydrophobicContact CG-CE2 4.05Å; Y19-T90 HydrophobicContact CE1-CG2 3.71Å; Y19-T90 WeakPolarHBondContact OH-CG2 3.29Å; Y19-W106 AromaticContact CD1-CH2 3.18Å; Y19-W106 HydrophobicContact CD1-CH2 3.18Å; Y19-W106 AromaticContact CD1-CZ2 3.36Å; Y19-W106 HydrophobicContact CD1-CZ2 3.36Å; Y19-W106 HydrophobicContact CD1-CZ3 4.11Å; Y19-W106 HydrophobicContact CE1-CD2 4.45Å; Y19-W106 AromaticContact CE1-CE2 3.76Å; Y19-W106 HydrophobicContact CE1-CE3 4.26Å; Y19-W106 AromaticContact CE1-CH2 2.79Å; Y19-W106 HydrophobicContact CE1-CH2 2.79Å; Y19-W106 AromaticContact CE1-CZ2 3.05Å; Y19-W106 HydrophobicContact CE1-CZ2 3.05Å; Y19-W106 AromaticContact CE1-CZ3 3.31Å; Y19-W106 HydrophobicContact CE1-CZ3 3.31Å; Y19-W106 HydrophobicContact CG-CH2 4.18Å; Y19-W106 AromaticContact CZ-CH2 3.51Å; Y19-W106 AromaticContact CZ-CZ3 3.55Å; Y19-W106 WeakPolarHBondContact OH-CZ3 3.2Å
20	T	86.8	Confident	89.9	Confident	89 Å²	89	46.9 Å²	46.9	55%	0.546	27%	0.27	S	S	.	.			trans	-69.2	104.5	173.2	-59.2	0	0	0	0	110.7	T22 S23	T20-T22 PolarHBondContact O-N 3.11Å; T20-S23 WeakPolarHBondContact CB-OG 3.37Å; T20-S23 VanDerWaalsContact O-CB 3.32Å; T20-S23 WeakPolarHBondContact O-CB 3Å; T20-S23 PolarHBondContact O-N 3.22Å; T20-S23 PolarHBondContact O-OG 3.06Å
21	F	87.6	Confident	89.7	Confident	8 Å²	8	49.5 Å²	49.5	4%	0.035	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-47.6	-35.2	-172	178.8	-127.3	0	0	0	115	A16 Y19 S23 M26 P45 V64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.12Å; A16-F21 HydrophobicContact CB-CD2 3.3Å; A16-F21 HydrophobicContact CB-CE2 3.96Å; A16-F21 HydrophobicContact CB-CG 3.98Å; Y19-F21 PolarHBondContact O-N 3.02Å; Y19-F21 VanDerWaalsContact O-N 3.16Å; F21-S23 VanDerWaalsContact C-N 3.31Å; F21-S23 PolarHBondContact O-N 2.65Å; F21-M26 HydrophobicContact CE2-CE 4.09Å; F21-P45 HydrophobicContact CD1-CB 3.87Å; F21-P45 HydrophobicContact CD2-CB 4.31Å; F21-P45 HydrophobicContact CD2-CG 4.25Å; F21-P45 HydrophobicContact CE1-CB 3.6Å; F21-P45 HydrophobicContact CE1-CG 4.32Å; F21-P45 HydrophobicContact CE2-CB 4.05Å; F21-P45 HydrophobicContact CE2-CG 3.87Å; F21-P45 HydrophobicContact CG-CB 4.25Å; F21-P45 HydrophobicContact CZ-CB 3.7Å; F21-P45 HydrophobicContact CZ-CG 3.92Å; F21-P45 WeakPolarHBondContact O-CG 3.42Å; F21-V64 HydrophobicContact CE1-CB 4.2Å; F21-V64 HydrophobicContact CE1-CG1 4.36Å; F21-V64 HydrophobicContact CZ-CB 4.28Å; F21-V64 HydrophobicContact CZ-CG1 4Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; F21-A71 HydrophobicContact CE2-CB 4.37Å; F21-A71 HydrophobicContact CZ-CB 4.08Å
22	T	90.3	Very high	89.5	Confident	50 Å²	50	45.7 Å²	45.7	31%	0.307	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-80.5	-2.2	-179.2	55.6	0	0	0	0	114.9	T20 N46	T20-T22 PolarHBondContact O-N 3.11Å; T22-N46 WeakPolarHBondContact O-CB 3.43Å
23	S	86.8	Confident	89.1	Confident	71 Å²	71	50.8 Å²	50.8	50%	0.497	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-87.1	-16.4	-178.2	-65.1	0	0	0	0	113.8	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.37Å; T20-S23 VanDerWaalsContact O-CB 3.32Å; T20-S23 WeakPolarHBondContact O-CB 3Å; T20-S23 PolarHBondContact O-N 3.22Å; T20-S23 PolarHBondContact O-OG 3.06Å; F21-S23 VanDerWaalsContact C-N 3.31Å; F21-S23 PolarHBondContact O-N 2.65Å
24	Y	84.1	Confident	88.9	Confident	68 Å²	68	51.7 Å²	51.7	27%	0.267	32%	0.318	S	S	.	.	S	Bend	trans	-135.3	149.3	-172.3	-59.1	-75.8	0	0	0	112.2	Y19 P45 E91 D93	Y19-Y24 HydrophobicContact CD1-CD2 4.47Å; Y19-Y24 AromaticContact CD2-CD2 3.45Å; Y19-Y24 HydrophobicContact CD2-CD2 3.45Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.45Å; Y19-Y24 AromaticContact CD2-CE2 3.92Å; Y19-Y24 HydrophobicContact CD2-CE2 3.92Å; Y19-Y24 AromaticContact CE2-CD2 3.72Å; Y19-Y24 HydrophobicContact CE2-CD2 3.72Å; Y19-Y24 AromaticContact CG-CD2 3.95Å; Y19-Y24 HydrophobicContact CG-CD2 3.95Å; Y19-Y24 HydrophobicContact CG-CE2 4.05Å; Y24-P45 WeakPolarHBondContact O-CD 3.09Å; Y24-P45 VanDerWaalsContact O-CG 3.31Å; Y24-P45 WeakPolarHBondContact O-CG 3.32Å; Y24-E91 WeakPolarHBondContact CD1-O 3.39Å; Y24-D93 HydrophobicContact CE1-CB 4.22Å
25	W	89.3	Confident	88.8	Confident	73 Å²	73	59 Å²	59	28%	0.277	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-70.6	138.7	173.3	-67.7	71.1	0	0	0	110.4	R42 D44 E91	W25-R42 HydrophobicContact CD2-CG 4.43Å; W25-R42 HydrophobicContact CE3-CB 4.15Å; W25-R42 HydrophobicContact CE3-CG 3.43Å; W25-R42 VanDerWaalsContact CE3-CG 3.43Å; W25-R42 HydrophobicContact CZ3-CG 3.79Å; W25-R42 VanDerWaalsContact CZ3-NE 3.34Å; W25-D44 HydrophobicContact CD2-CB 3.92Å; W25-D44 HydrophobicContact CE3-CB 3.87Å; W25-D44 HydrophobicContact CH2-CB 4.06Å; W25-D44 HydrophobicContact CZ2-CB 4.06Å; W25-D44 HydrophobicContact CZ3-CB 3.96Å; W25-E91 PolarHBondContact O-N 3.49Å
26	M	90.8	Very high	88.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.8	171.8	-175	62.3	66.3	0	0	109.7	F21 R42 I43 P45 A71 C88 T89 T90	F21-M26 HydrophobicContact CE2-CE 4.09Å; M26-R42 CarbonylContact O-C 3.58Å; M26-R42 WeakPolarHBondContact O-CA 3.47Å; M26-R42 WeakPolarHBondContact O-CB 3.44Å; M26-I43 HydrophobicContact CB-CG2 4.01Å; M26-I43 PolarHBondContact N-O 3.07Å; M26-I43 PolarHBondContact O-N 3Å; M26-P45 HydrophobicContact CB-CG 4.45Å; M26-A71 HydrophobicContact CB-CB 4.15Å; M26-A71 HydrophobicContact CG-CB 3.62Å; M26-C88 HydrophobicContact SD-CB 3.8Å; M26-T89 VanDerWaalsContact SD-O 3.41Å; M26-T90 HydrophobicContact CE-CG2 3.76Å; M26-T90 HydrophobicContact SD-CG2 4.09Å
27	H	92.8	Very high	88.8	Confident	5 Å²	5	59 Å²	59	2%	0.023	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	147.5	-180	-71.1	-120	0	0	0	110.6	W39 R42 C88 T89 E91	H27-W39 AromaticContact CG-NE1 3.92Å; H27-W39 AromaticContact ND1-CD1 3.92Å; H27-W39 AromaticContact ND1-NE1 3.15Å; H27-W39 PolarHBondContact ND1-NE1 3.28Å; H27-W39 VanDerWaalsContact ND1-NE1 3.15Å; H27-R42 VanDerWaalsContact CE1-CD 3.43Å; H27-R42 WeakPolarHBondContact CE1-CD 3.35Å; H27-R42 WeakPolarHBondContact NE2-CD 3.35Å; H27-C88 CarbonylContact O-C 3.59Å; H27-C88 VanDerWaalsContact O-CA 3.23Å; H27-C88 WeakPolarHBondContact O-CA 3.41Å; H27-T89 WeakPolarHBondContact CB-OG1 3.48Å; H27-T89 PolarHBondContact N-O 2.76Å; H27-T89 PolarHBondContact O-N 2.86Å; H27-E91 IonicContact NE2-OE2 3.86Å
28	W	94.6	Very high	89.3	Confident	5 Å²	5	56.7 Å²	56.7	2%	0.019	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134.4	174.9	-70.3	90.1	0	0	0	110.6	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.03Å; L12-W28 HydrophobicContact CB-CZ3 3.89Å; L12-W28 HydrophobicContact CD1-CZ3 4.48Å; C14-W28 HydrophobicContact CB-CH2 3.83Å; C14-W28 HydrophobicContact CB-CZ2 3.93Å; W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.35Å; W28-I40 WeakPolarHBondContact O-CB 3.4Å; W28-I40 PolarHBondContact O-N 2.84Å; W28-G41 PolarHBondContact N-O 2.8Å; W28-L62 HydrophobicContact CG-CD2 4.05Å; W28-A71 HydrophobicContact CZ2-CB 4.38Å; W28-M73 HydrophobicContact CB-SD 3.86Å; W28-M73 HydrophobicContact CD2-CB 3.63Å; W28-M73 HydrophobicContact CD2-CE 4.21Å; W28-M73 HydrophobicContact CD2-CG 4.44Å; W28-M73 HydrophobicContact CD2-SD 4.07Å; W28-M73 HydrophobicContact CE3-CB 3.89Å; W28-M73 HydrophobicContact CE3-CE 3.66Å; W28-M73 HydrophobicContact CE3-SD 4.14Å; W28-M73 HydrophobicContact CG-CB 4.15Å; W28-M73 HydrophobicContact CG-SD 3.97Å; W28-M73 HydrophobicContact CH2-CB 4.08Å; W28-M73 HydrophobicContact CZ2-CB 3.85Å; W28-M73 HydrophobicContact CZ3-CB 4.1Å; W28-M73 HydrophobicContact CZ3-CE 4.2Å; W28-Y87 WeakPolarHBondContact CA-O 3.43Å; W28-C88 HydrophobicContact CD2-CB 4.38Å; W28-C88 HydrophobicContact CE3-CB 4.2Å; W28-C88 HydrophobicContact CH2-CB 4.29Å; W28-C88 HydrophobicContact CZ2-CB 4.43Å; W28-C88 HydrophobicContact CZ3-CB 4.16Å
29	V	94.1	Very high	90	Very high	7 Å²	7	55.9 Å²	55.9	4%	0.042	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	139.4	-173.3	-174	0	0	0	0	109.8	L37 E38 Y86 Y87	V29-L37 HydrophobicContact CG1-CB 3.7Å; V29-L37 HydrophobicContact CG1-CD1 4.5Å; V29-L37 HydrophobicContact CG1-CD2 3.84Å; V29-L37 HydrophobicContact CG1-CG 4.2Å; V29-E38 WeakPolarHBondContact CA-O 3.31Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.46Å; V29-Y87 PolarHBondContact N-O 2.95Å; V29-Y87 PolarHBondContact O-N 2.8Å
30	K	94.5	Very high	90.9	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	136	173.9	179.8	179.2	-179.5	176.2	0	109.8	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.31Å; K30-E38 PolarHBondContact N-O 3.12Å; K30-E38 PolarHBondContact O-N 3.21Å; K30-I40 HydrophobicContact CB-CD1 4.05Å; K30-I40 HydrophobicContact CB-CG1 4.2Å; K30-F56 HydrophobicContact CD-CE1 3.95Å; K30-F56 HydrophobicContact CD-CZ 4.02Å; K30-E81 WeakPolarHBondContact CE-O 3.4Å; K30-E81 PolarHBondContact NZ-O 2.92Å; K30-D82 IonicContact NZ-OD1 3.22Å; K30-D82 PolarHBondContact NZ-OD1 3.1Å; K30-A84 HydrophobicContact CD-CB 4.24Å; K30-A84 HydrophobicContact CG-CB 3.56Å; K30-Y86 HydrophobicContact CB-CD1 4.1Å; K30-Y86 HydrophobicContact CB-CE1 3.84Å; K30-Y86 HydrophobicContact CD-CE1 3.92Å; K30-Y86 WeakPolarHBondContact CE-OH 3.38Å; K30-Y86 HydrophobicContact CG-CD1 4.31Å; K30-Y86 HydrophobicContact CG-CE1 3.74Å
31	Q	93.9	Very high	91.3	Very high	67 Å²	67	49.1 Å²	49.1	31%	0.313	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	116.2	171.6	-167.6	-178	32.1	0	0	110.1	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.79Å; Q31-L37 HydrophobicContact CG-CD2 3.88Å; Q31-A84 WeakPolarHBondContact O-CA 3.35Å; Q31-A84 VanDerWaalsContact O-CB 3.25Å; Q31-A84 WeakPolarHBondContact O-CB 3.39Å; Q31-V85 PolarHBondContact N-O 3.12Å; Q31-V85 PolarHBondContact O-N 2.95Å; Q31-Y87 HydrophobicContact CB-CD2 4.34Å; Q31-Y87 HydrophobicContact CB-CE2 3.67Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.3Å; Q31-Y87 PolarHBondContact OE1-OH 3.46Å
32	R	93.3	Very high	91.6	Very high	42 Å²	42	51.1 Å²	51.1	16%	0.158	28%	0.284	C	S	.	.			trans	-86.7	148.5	171.3	-65.9	176.2	176.9	128.5	-13.7	109.9	G34 R35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.98Å; R32-R35 HydrophobicContact CB-CB 4.06Å; R32-R35 HydrophobicContact CB-CG 4.28Å; R32-R35 PolarHBondContact O-N 2.78Å; R32-E38 IonicContact CZ-OE1 2.65Å; R32-E38 IonicContact NE-OE1 3.28Å; R32-E38 VanDerWaalsContact NH1-CD 3.33Å; R32-E38 IonicContact NH1-OE1 3.91Å; R32-E38 PolarHBondContact NH1-OE1 2.8Å; R32-E38 IonicContact NH1-OE2 3.51Å; R32-E38 PolarHBondContact NH1-OE2 2.84Å; R32-E81 PolarHBondContact NE-O 3.32Å; R32-E81 PolarHBondContact NH2-O 3.09Å; R32-A84 HydrophobicContact CG-CB 4.16Å
33	P	88.1	Confident	91.9	Very high	113 Å²	113	49 Å²	49	73%	0.734	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	128.6	173.1	-25.8	34.5	0	0	0	111.4	R35	P33-R35 PolarHBondContact O-N 2.99Å
34	G	89.6	Confident	92.2	Very high	93 Å²	93	46.8 Å²	46.8	96%	0.959	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	10.5	179.9	0	0	0	0	0	115.7	R32	R32-G34 PolarHBondContact O-N 2.98Å
35	R	90.2	Very high	92.7	Very high	158 Å²	158	43.6 Å²	43.6	60%	0.596	24%	0.241	S	C	*	.	S	Bend	trans	-122	161	176.3	-64.7	-172.6	165	-169.4	-1.9	111.8	R32 P33	R32-R35 HydrophobicContact CB-CB 4.06Å; R32-R35 HydrophobicContact CB-CG 4.28Å; R32-R35 PolarHBondContact O-N 2.78Å; P33-R35 PolarHBondContact O-N 2.99Å
36	G	87.4	Confident	92.9	Very high	56 Å²	56	44.6 Å²	44.6	58%	0.577	25%	0.251	S	S	*	.			trans	-66.8	172.6	173.8	0	0	0	0	0	113.3
37	L	90.6	Very high	93.1	Very high	104 Å²	104	48.5 Å²	48.5	55%	0.545	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	132.4	175.1	-65.4	176.8	0	0	0	111	V29 Q31	V29-L37 HydrophobicContact CG1-CB 3.7Å; V29-L37 HydrophobicContact CG1-CD1 4.5Å; V29-L37 HydrophobicContact CG1-CD2 3.84Å; V29-L37 HydrophobicContact CG1-CG 4.2Å; Q31-L37 HydrophobicContact CB-CD2 3.79Å; Q31-L37 HydrophobicContact CG-CD2 3.88Å
38	E	93.6	Very high	93.2	Very high	39 Å²	39	50 Å²	50	18%	0.182	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	111.4	176	-68.3	178	-105.3	0	0	109.3	V29 K30 R32 I40 F56	V29-E38 WeakPolarHBondContact CA-O 3.31Å; K30-E38 HydrophobicContact CB-CB 4.31Å; K30-E38 PolarHBondContact N-O 3.12Å; K30-E38 PolarHBondContact O-N 3.21Å; R32-E38 IonicContact CZ-OE1 2.65Å; R32-E38 IonicContact NE-OE1 3.28Å; R32-E38 VanDerWaalsContact NH1-CD 3.33Å; R32-E38 IonicContact NH1-OE1 3.91Å; R32-E38 PolarHBondContact NH1-OE1 2.8Å; R32-E38 IonicContact NH1-OE2 3.51Å; R32-E38 PolarHBondContact NH1-OE2 2.84Å; E38-I40 PolarHBondContact O-N 2.9Å; E38-F56 HydrophobicContact CB-CZ 4.43Å
39	W	93.6	Very high	93.3	Very high	71 Å²	71	51.1 Å²	51.1	27%	0.269	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	127.1	176.6	-177.3	73.3	0	0	0	111	H27 G41 R42 K51 N53	H27-W39 AromaticContact CG-NE1 3.92Å; H27-W39 AromaticContact ND1-CD1 3.92Å; H27-W39 AromaticContact ND1-NE1 3.15Å; H27-W39 PolarHBondContact ND1-NE1 3.28Å; H27-W39 VanDerWaalsContact ND1-NE1 3.15Å; W39-G41 VanDerWaalsContact CE2-C 3.5Å; W39-G41 PolarHBondContact NE1-O 3.09Å; W39-G41 VanDerWaalsContact NE1-O 3.17Å; W39-R42 HydrophobicContact CZ2-CB 3.97Å; W39-R42 HydrophobicContact CZ2-CG 3.86Å; W39-K51 HydrophobicContact CH2-CB 4.31Å; W39-K51 HydrophobicContact CH2-CD 4.27Å; W39-K51 HydrophobicContact CH2-CG 4.05Å; W39-N53 HydrophobicContact CE3-CB 3.87Å; W39-N53 HydrophobicContact CZ3-CB 4.09Å; W39-N53 WeakPolarHBondContact O-CB 3.09Å; W39-N53 PolarHBondContact O-ND2 3.16Å
40	I	96.5	Very high	93.4	Very high	0 Å²	0	54 Å²	54	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-49.4	-178.1	-61.2	174.4	0	0	0	110.2	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.35Å; W28-I40 WeakPolarHBondContact O-CB 3.4Å; W28-I40 PolarHBondContact O-N 2.84Å; K30-I40 HydrophobicContact CB-CD1 4.05Å; K30-I40 HydrophobicContact CB-CG1 4.2Å; E38-I40 PolarHBondContact O-N 2.9Å; I40-N53 PolarHBondContact O-N 3.39Å; I40-F56 HydrophobicContact CB-CD2 4.34Å; I40-F56 HydrophobicContact CB-CG 4.27Å; I40-F56 HydrophobicContact CG1-CD1 4.18Å; I40-F56 HydrophobicContact CG1-CD2 4.26Å; I40-F56 HydrophobicContact CG1-CE1 4.18Å; I40-F56 HydrophobicContact CG1-CE2 4.25Å; I40-F56 HydrophobicContact CG1-CG 4.22Å; I40-F56 HydrophobicContact CG1-CZ 4.21Å; I40-F56 HydrophobicContact CG2-CB 3.72Å; I40-F56 HydrophobicContact CG2-CD1 4.22Å; I40-F56 HydrophobicContact CG2-CD2 4.41Å; I40-F56 HydrophobicContact CG2-CG 3.88Å; I40-A60 HydrophobicContact CG2-CB 3.72Å; I40-M73 HydrophobicContact CB-SD 4.5Å; I40-M73 HydrophobicContact CD1-CE 3.81Å; I40-M73 HydrophobicContact CD1-SD 3.59Å; I40-M73 VanDerWaalsContact CD1-SD 3.59Å; I40-M73 HydrophobicContact CG2-SD 3.86Å; I40-Y86 HydrophobicContact CD1-CD1 3.74Å; I40-Y86 HydrophobicContact CD1-CE1 3.86Å
41	G	95.6	Very high	93.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.3	177.9	-172.4	0	0	0	0	0	112.3	W28 W39 K51	W28-G41 PolarHBondContact N-O 2.8Å; W39-G41 VanDerWaalsContact CE2-C 3.5Å; W39-G41 PolarHBondContact NE1-O 3.09Å; W39-G41 VanDerWaalsContact NE1-O 3.17Å; G41-K51 CarbonylContact C-O 3.52Å; G41-K51 WeakPolarHBondContact CA-O 3.49Å
42	R	94.8	Very high	93.6	Very high	51 Å²	51	58.8 Å²	58.8	19%	0.192	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	154	173	68.6	179.9	-168.7	176.3	2.2	111.5	W25 M26 H27 W39 T50 K51 E91	W25-R42 HydrophobicContact CD2-CG 4.43Å; W25-R42 HydrophobicContact CE3-CB 4.15Å; W25-R42 HydrophobicContact CE3-CG 3.43Å; W25-R42 VanDerWaalsContact CE3-CG 3.43Å; W25-R42 HydrophobicContact CZ3-CG 3.79Å; W25-R42 VanDerWaalsContact CZ3-NE 3.34Å; M26-R42 CarbonylContact O-C 3.58Å; M26-R42 WeakPolarHBondContact O-CA 3.47Å; M26-R42 WeakPolarHBondContact O-CB 3.44Å; H27-R42 VanDerWaalsContact CE1-CD 3.43Å; H27-R42 WeakPolarHBondContact CE1-CD 3.35Å; H27-R42 WeakPolarHBondContact NE2-CD 3.35Å; W39-R42 HydrophobicContact CZ2-CB 3.97Å; W39-R42 HydrophobicContact CZ2-CG 3.86Å; R42-T50 WeakPolarHBondContact O-CA 3.34Å; R42-K51 HydrophobicContact CG-CB 4.13Å; R42-K51 PolarHBondContact N-O 2.77Å; R42-K51 PolarHBondContact O-N 2.76Å; R42-E91 IonicContact NH1-OE2 3.58Å
43	I	95.4	Very high	93.7	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.021	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.8	173	-174.7	158.1	0	0	0	109.2	M26 P45 G49 T50 L62 V64	M26-I43 HydrophobicContact CB-CG2 4.01Å; M26-I43 PolarHBondContact N-O 3.07Å; M26-I43 PolarHBondContact O-N 3Å; I43-P45 VanDerWaalsContact O-CD 3.28Å; I43-P45 WeakPolarHBondContact O-CD 3.21Å; I43-G49 CarbonylContact C-O 3.51Å; I43-G49 WeakPolarHBondContact CA-O 3.44Å; I43-T50 HydrophobicContact CB-CG2 4.03Å; I43-T50 HydrophobicContact CD1-CG2 3.74Å; I43-T50 HydrophobicContact CG1-CG2 3.83Å; I43-L62 HydrophobicContact CB-CB 4.06Å; I43-L62 HydrophobicContact CB-CD1 4.31Å; I43-L62 HydrophobicContact CD1-CB 4.11Å; I43-L62 HydrophobicContact CG2-CB 4.34Å; I43-V64 HydrophobicContact CD1-CG1 3.83Å; I43-V64 HydrophobicContact CD1-CG2 4.4Å; I43-V64 HydrophobicContact CG1-CG1 3.99Å; I43-V64 HydrophobicContact CG2-CG1 3.83Å
44	D	94	Very high	94.1	Very high	26 Å²	26	60 Å²	60	14%	0.139	35%	0.345	C	S	.	.			trans	-79.6	112.9	167.4	172.9	3.5	0	0	0	108.3	W25 N46 S47 G48 G49	W25-D44 HydrophobicContact CD2-CB 3.92Å; W25-D44 HydrophobicContact CE3-CB 3.87Å; W25-D44 HydrophobicContact CH2-CB 4.06Å; W25-D44 HydrophobicContact CZ2-CB 4.06Å; W25-D44 HydrophobicContact CZ3-CB 3.96Å; D44-N46 PolarHBondContact O-N 3.03Å; D44-N46 WeakPolarHBondContact OD1-CA 3.46Å; D44-N46 VanDerWaalsContact OD1-CB 3.27Å; D44-N46 WeakPolarHBondContact OD1-CB 3.21Å; D44-N46 PolarHBondContact OD1-N 2.91Å; D44-S47 WeakPolarHBondContact CB-OG 3.21Å; D44-S47 VanDerWaalsContact CG-OG 3.25Å; D44-S47 VanDerWaalsContact OD2-CB 3.29Å; D44-S47 WeakPolarHBondContact OD2-CB 3.22Å; D44-S47 PolarHBondContact OD2-N 2.9Å; D44-S47 PolarHBondContact OD2-OG 3.44Å; D44-G48 WeakPolarHBondContact O-CA 3.22Å; D44-G48 PolarHBondContact O-N 2.69Å; D44-G49 PolarHBondContact N-O 2.53Å
45	P	93.3	Very high	94.2	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-16.9	-179.7	-18.7	34.1	0	0	0	113.9	F21 Y24 M26 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.87Å; F21-P45 HydrophobicContact CD2-CB 4.31Å; F21-P45 HydrophobicContact CD2-CG 4.25Å; F21-P45 HydrophobicContact CE1-CB 3.6Å; F21-P45 HydrophobicContact CE1-CG 4.32Å; F21-P45 HydrophobicContact CE2-CB 4.05Å; F21-P45 HydrophobicContact CE2-CG 3.87Å; F21-P45 HydrophobicContact CG-CB 4.25Å; F21-P45 HydrophobicContact CZ-CB 3.7Å; F21-P45 HydrophobicContact CZ-CG 3.92Å; F21-P45 WeakPolarHBondContact O-CG 3.42Å; Y24-P45 WeakPolarHBondContact O-CD 3.09Å; Y24-P45 VanDerWaalsContact O-CG 3.31Å; Y24-P45 WeakPolarHBondContact O-CG 3.32Å; M26-P45 HydrophobicContact CB-CG 4.45Å; I43-P45 VanDerWaalsContact O-CD 3.28Å; I43-P45 WeakPolarHBondContact O-CD 3.21Å; P45-V64 HydrophobicContact CB-CG1 4.11Å; P45-V64 HydrophobicContact CG-CG1 4.4Å; P45-K66 WeakPolarHBondContact O-CE 3.43Å
46	N	93.6	Very high	94.5	Very high	94 Å²	94	55.9 Å²	55.9	50%	0.503	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-57	175.2	-172.2	28.1	0	0	0	111.8	T22 D44 K66	T22-N46 WeakPolarHBondContact O-CB 3.43Å; D44-N46 PolarHBondContact O-N 3.03Å; D44-N46 WeakPolarHBondContact OD1-CA 3.46Å; D44-N46 VanDerWaalsContact OD1-CB 3.27Å; D44-N46 WeakPolarHBondContact OD1-CB 3.21Å; D44-N46 PolarHBondContact OD1-N 2.91Å; N46-K66 WeakPolarHBondContact O-CE 3.48Å; N46-K66 PolarHBondContact O-NZ 2.8Å
47	S	95	Very high	94.8	Very high	83 Å²	83	58.6 Å²	58.6	58%	0.58	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-21.3	-175.7	67.8	0	0	0	0	114.2	D44 G49	D44-S47 WeakPolarHBondContact CB-OG 3.21Å; D44-S47 VanDerWaalsContact CG-OG 3.25Å; D44-S47 VanDerWaalsContact OD2-CB 3.29Å; D44-S47 WeakPolarHBondContact OD2-CB 3.22Å; D44-S47 PolarHBondContact OD2-N 2.9Å; D44-S47 PolarHBondContact OD2-OG 3.44Å; S47-G49 PolarHBondContact OG-N 2.88Å; S47-G49 VanDerWaalsContact OG-N 3.1Å
48	G	94.8	Very high	95.1	Very high	35 Å²	35	59 Å²	59	36%	0.361	31%	0.312	S	S	.	.			trans	77.2	4.4	-167.7	0	0	0	0	0	113.6	D44 T50	D44-G48 WeakPolarHBondContact O-CA 3.22Å; D44-G48 PolarHBondContact O-N 2.69Å; G48-T50 PolarHBondContact O-N 3.03Å
49	G	96.6	Very high	95.2	Very high	30 Å²	30	59 Å²	59	31%	0.309	31%	0.311	S	S	.	.			trans	-61.4	133.5	178	0	0	0	0	0	111.7	I43 D44 S47	I43-G49 CarbonylContact C-O 3.51Å; I43-G49 WeakPolarHBondContact CA-O 3.44Å; D44-G49 PolarHBondContact N-O 2.53Å; S47-G49 PolarHBondContact OG-N 2.88Å; S47-G49 VanDerWaalsContact OG-N 3.1Å
50	T	97	Very high	95.4	Very high	66 Å²	66	55.7 Å²	55.7	41%	0.405	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	147.5	-177.8	53.9	0	0	0	0	112.1	R42 I43 G48 Y52 L62	R42-T50 WeakPolarHBondContact O-CA 3.34Å; I43-T50 HydrophobicContact CB-CG2 4.03Å; I43-T50 HydrophobicContact CD1-CG2 3.74Å; I43-T50 HydrophobicContact CG1-CG2 3.83Å; G48-T50 PolarHBondContact O-N 3.03Å; T50-Y52 HydrophobicContact CG2-CE2 4.42Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.26Å; T50-L62 HydrophobicContact CG2-CB 4.07Å
51	K	96.3	Very high	95.5	Very high	123 Å²	123	59.2 Å²	59.2	54%	0.535	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	137.1	168.1	-171	-178.1	178.7	178.4	0	108.6	W39 G41 R42	W39-K51 HydrophobicContact CH2-CB 4.31Å; W39-K51 HydrophobicContact CH2-CD 4.27Å; W39-K51 HydrophobicContact CH2-CG 4.05Å; G41-K51 CarbonylContact C-O 3.52Å; G41-K51 WeakPolarHBondContact CA-O 3.49Å; R42-K51 HydrophobicContact CG-CB 4.13Å; R42-K51 PolarHBondContact N-O 2.77Å; R42-K51 PolarHBondContact O-N 2.76Å
52	Y	96.6	Very high	95.6	Very high	46 Å²	46	59.6 Å²	59.6	18%	0.18	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	154.2	-177.7	-64.4	-88.9	0	0	0	111.1	T50 K57 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.42Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.26Å; Y52-K57 HydrophobicContact CG-CG 4.44Å; Y52-A60 HydrophobicContact CD1-CB 4.47Å; Y52-A60 HydrophobicContact CE1-CB 4.21Å; Y52-A60 WeakPolarHBondContact CE1-O 3.45Å; Y52-L62 HydrophobicContact CE1-CD1 4.02Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 2.89Å
53	N	95.5	Very high	95.7	Very high	50 Å²	50	60.2 Å²	60.2	27%	0.267	33%	0.332	S	S	.	.			trans	-74.3	134.3	154.6	-179.9	-24.3	0	0	0	108.4	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.87Å; W39-N53 HydrophobicContact CZ3-CB 4.09Å; W39-N53 WeakPolarHBondContact O-CB 3.09Å; W39-N53 PolarHBondContact O-ND2 3.16Å; I40-N53 PolarHBondContact O-N 3.39Å; N53-K55 PolarHBondContact O-N 2.89Å; N53-K55 PolarHBondContact OD1-N 3.22Å; N53-K55 VanDerWaalsContact OD1-N 3.12Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 3.25Å; N53-K57 PolarHBondContact O-N 2.93Å; N53-K57 VanDerWaalsContact O-N 3.16Å
54	E	95.5	Very high	95.8	Very high	132 Å²	132	61.8 Å²	61.8	62%	0.617	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-30.8	-176.9	-68	-60.5	146	0	0	112.8	F56 K57	E54-F56 PolarHBondContact O-N 3.25Å; E54-K57 IonicContact OE1-NZ 2.89Å; E54-K57 PolarHBondContact OE1-NZ 2.9Å; E54-K57 WeakPolarHBondContact OE2-CD 3.33Å; E54-K57 IonicContact OE2-NZ 3.25Å; E54-K57 PolarHBondContact OE2-NZ 3.07Å
55	K	93.3	Very high	95.8	Very high	153 Å²	153	63.4 Å²	63.4	67%	0.665	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-27.5	175.3	-68.7	-175.9	180	179.6	0	114.2	N53	N53-K55 PolarHBondContact O-N 2.89Å; N53-K55 PolarHBondContact OD1-N 3.22Å; N53-K55 VanDerWaalsContact OD1-N 3.12Å
56	F	95.4	Very high	95.9	Very high	11 Å²	11	68.3 Å²	68.3	5%	0.048	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-7	-173.1	-62.6	-83.8	0	0	0	113.3	K30 E38 I40 N53 E54 S58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.95Å; K30-F56 HydrophobicContact CD-CZ 4.02Å; E38-F56 HydrophobicContact CB-CZ 4.43Å; I40-F56 HydrophobicContact CB-CD2 4.34Å; I40-F56 HydrophobicContact CB-CG 4.27Å; I40-F56 HydrophobicContact CG1-CD1 4.18Å; I40-F56 HydrophobicContact CG1-CD2 4.26Å; I40-F56 HydrophobicContact CG1-CE1 4.18Å; I40-F56 HydrophobicContact CG1-CE2 4.25Å; I40-F56 HydrophobicContact CG1-CG 4.22Å; I40-F56 HydrophobicContact CG1-CZ 4.21Å; I40-F56 HydrophobicContact CG2-CB 3.72Å; I40-F56 HydrophobicContact CG2-CD1 4.22Å; I40-F56 HydrophobicContact CG2-CD2 4.41Å; I40-F56 HydrophobicContact CG2-CG 3.88Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 3.25Å; E54-F56 PolarHBondContact O-N 3.25Å; F56-S58 VanDerWaalsContact C-N 3.27Å; F56-S58 PolarHBondContact O-N 3.4Å; F56-K59 PolarHBondContact O-N 3.17Å; F56-A60 HydrophobicContact CB-CB 4.35Å; F56-A60 PolarHBondContact O-N 3.14Å
57	K	94.4	Very high	95.8	Very high	112 Å²	112	69.7 Å²	69.7	49%	0.487	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-33	-173.1	-170.2	177.8	-171.9	174.4	0	114.3	Y52 N53 E54	Y52-K57 HydrophobicContact CG-CG 4.44Å; N53-K57 PolarHBondContact O-N 2.93Å; N53-K57 VanDerWaalsContact O-N 3.16Å; E54-K57 IonicContact OE1-NZ 2.89Å; E54-K57 PolarHBondContact OE1-NZ 2.9Å; E54-K57 WeakPolarHBondContact OE2-CD 3.33Å; E54-K57 IonicContact OE2-NZ 3.25Å; E54-K57 PolarHBondContact OE2-NZ 3.07Å
58	S	95.4	Very high	95.7	Very high	114 Å²	114	67.5 Å²	67.5	80%	0.797	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-9.9	175.6	57.7	0	0	0	0	113.8	F56	F56-S58 VanDerWaalsContact C-N 3.27Å; F56-S58 PolarHBondContact O-N 3.4Å
59	K	96.1	Very high	95.6	Very high	37 Å²	37	67.7 Å²	67.7	16%	0.161	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-33.5	-167.5	-160.2	169.1	-166.8	167.5	0	113.7	F56 L75 S76 S77 D82	F56-K59 PolarHBondContact O-N 3.17Å; K59-L75 WeakPolarHBondContact O-CA 2.95Å; K59-S76 WeakPolarHBondContact CE-O 3.44Å; K59-S76 WeakPolarHBondContact CG-O 3.23Å; K59-S76 PolarHBondContact O-N 3.29Å; K59-S76 PolarHBondContact O-OG 3.32Å; K59-S77 WeakPolarHBondContact CE-O 3.19Å; K59-D82 WeakPolarHBondContact CE-OD2 3.36Å; K59-D82 IonicContact NZ-OD1 3.03Å; K59-D82 PolarHBondContact NZ-OD1 2.96Å; K59-D82 IonicContact NZ-OD2 2.53Å; K59-D82 PolarHBondContact NZ-OD2 2.81Å
60	A	97.8	Very high	95.5	Very high	3 Å²	3	66.8 Å²	66.8	3%	0.025	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	133.9	-177.2	0	0	0	0	0	110.8	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.72Å; Y52-A60 HydrophobicContact CD1-CB 4.47Å; Y52-A60 HydrophobicContact CE1-CB 4.21Å; Y52-A60 WeakPolarHBondContact CE1-O 3.45Å; F56-A60 HydrophobicContact CB-CB 4.35Å; F56-A60 PolarHBondContact O-N 3.14Å; A60-M73 HydrophobicContact CB-CG 4.4Å; A60-M73 HydrophobicContact CB-SD 4.39Å; A60-Q74 CarbonylContact C-O 3.5Å; A60-Q74 WeakPolarHBondContact CA-O 3.44Å; A60-L75 HydrophobicContact CB-CD2 3.94Å
61	T	98.4	Very high	95.4	Very high	73 Å²	73	63.6 Å²	63.6	45%	0.448	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.2	168.5	-57.7	0	0	0	0	108.6	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.3Å; T61-M73 WeakPolarHBondContact O-CA 3.32Å; T61-Q74 PolarHBondContact N-O 3.29Å; T61-Q74 PolarHBondContact O-N 2.82Å
62	L	98.1	Very high	95.5	Very high	9 Å²	9	60.2 Å²	60.2	5%	0.047	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	133.5	177.6	-52.7	-176.3	0	0	0	110.6	W28 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.05Å; I43-L62 HydrophobicContact CB-CB 4.06Å; I43-L62 HydrophobicContact CB-CD1 4.31Å; I43-L62 HydrophobicContact CD1-CB 4.11Å; I43-L62 HydrophobicContact CG2-CB 4.34Å; T50-L62 HydrophobicContact CG2-CB 4.07Å; Y52-L62 HydrophobicContact CE1-CD1 4.02Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 2.89Å; L62-Y72 WeakPolarHBondContact CA-O 3.44Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.14Å
63	T	97.9	Very high	95.5	Very high	63 Å²	63	58 Å²	58	39%	0.387	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	164.5	175.2	61.9	0	0	0	0	111.1	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.3Å; T63-Y72 PolarHBondContact N-O 2.82Å; T63-Y72 PolarHBondContact O-N 3.13Å
64	V	96.4	Very high	95.6	Very high	37 Å²	37	60 Å²	60	22%	0.224	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	147.3	176.3	-66.8	0	0	0	0	110.8	F21 I43 P45 T70 A71	F21-V64 HydrophobicContact CE1-CB 4.2Å; F21-V64 HydrophobicContact CE1-CG1 4.36Å; F21-V64 HydrophobicContact CZ-CB 4.28Å; F21-V64 HydrophobicContact CZ-CG1 4Å; I43-V64 HydrophobicContact CD1-CG1 3.83Å; I43-V64 HydrophobicContact CD1-CG2 4.4Å; I43-V64 HydrophobicContact CG1-CG1 3.99Å; I43-V64 HydrophobicContact CG2-CG1 3.83Å; P45-V64 HydrophobicContact CB-CG1 4.11Å; P45-V64 HydrophobicContact CG-CG1 4.4Å; V64-T70 CarbonylContact C-O 3.55Å; V64-T70 WeakPolarHBondContact CA-O 3.34Å; V64-A71 HydrophobicContact CG1-CB 4.16Å
65	D	95.6	Very high	95.8	Very high	60 Å²	60	53.8 Å²	53.8	32%	0.321	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	102.1	168.8	176.9	20.4	0	0	0	108.2	P67 S68 S69 T70 Y72	D65-P67 VanDerWaalsContact OD1-CD 3.24Å; D65-P67 WeakPolarHBondContact OD1-CD 3.37Å; D65-S68 WeakPolarHBondContact CB-OG 3.03Å; D65-S68 PolarHBondContact O-OG 3.42Å; D65-S68 WeakPolarHBondContact OD2-CB 3.14Å; D65-S68 PolarHBondContact OD2-OG 3.43Å; D65-S69 PolarHBondContact O-N 2.83Å; D65-S69 VanDerWaalsContact O-N 3.09Å; D65-T70 PolarHBondContact N-O 3.15Å; D65-T70 PolarHBondContact O-N 2.9Å; D65-Y72 HydrophobicContact CB-CE2 3.81Å
66	K	93.4	Very high	95.9	Very high	104 Å²	104	48.2 Å²	48.2	45%	0.452	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-48.5	-174.5	-58.8	175.9	-179.9	-176	0	112.1	P45 N46 S68 S69	P45-K66 WeakPolarHBondContact O-CE 3.43Å; N46-K66 WeakPolarHBondContact O-CE 3.48Å; N46-K66 PolarHBondContact O-NZ 2.8Å; K66-S68 VanDerWaalsContact C-N 3.28Å; K66-S68 PolarHBondContact O-N 2.82Å; K66-S69 PolarHBondContact O-N 2.95Å
67	P	92.6	Very high	96	Very high	123 Å²	123	51.4 Å²	51.4	80%	0.799	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-41.5	176.6	-29.9	32.3	0	0	0	114.9	D65 S69	D65-P67 VanDerWaalsContact OD1-CD 3.24Å; D65-P67 WeakPolarHBondContact OD1-CD 3.37Å; P67-S69 VanDerWaalsContact C-N 3.33Å
68	S	93.5	Very high	96	Very high	37 Å²	37	46 Å²	46	26%	0.259	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-2.7	178.9	72.8	0	0	0	0	113.9	D65 K66 T70	D65-S68 WeakPolarHBondContact CB-OG 3.03Å; D65-S68 PolarHBondContact O-OG 3.42Å; D65-S68 WeakPolarHBondContact OD2-CB 3.14Å; D65-S68 PolarHBondContact OD2-OG 3.43Å; K66-S68 VanDerWaalsContact C-N 3.28Å; K66-S68 PolarHBondContact O-N 2.82Å; S68-T70 PolarHBondContact O-N 3Å; S68-T70 PolarHBondContact O-OG1 3.34Å; S68-T70 VanDerWaalsContact OG-CB 3.29Å; S68-T70 WeakPolarHBondContact OG-CB 3.4Å; S68-T70 PolarHBondContact OG-OG1 3.17Å
69	S	92.5	Very high	96	Very high	39 Å²	39	43.4 Å²	43.4	27%	0.273	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	42	-172.2	-61.4	0	0	0	0	112.2	A16 F21 D65 K66 P67	A16-S69 VanDerWaalsContact CB-O 3.27Å; A16-S69 WeakPolarHBondContact CB-O 3.43Å; A16-S69 PolarHBondContact N-O 3.16Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; D65-S69 PolarHBondContact O-N 2.83Å; D65-S69 VanDerWaalsContact O-N 3.09Å; K66-S69 PolarHBondContact O-N 2.95Å; P67-S69 VanDerWaalsContact C-N 3.33Å
70	T	94.3	Very high	95.9	Very high	10 Å²	10	45.7 Å²	45.7	6%	0.061	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.7	-174.5	-53.1	0	0	0	0	111	C14 V64 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.21Å; V64-T70 CarbonylContact C-O 3.55Å; V64-T70 WeakPolarHBondContact CA-O 3.34Å; D65-T70 PolarHBondContact N-O 3.15Å; D65-T70 PolarHBondContact O-N 2.9Å; S68-T70 PolarHBondContact O-N 3Å; S68-T70 PolarHBondContact O-OG1 3.34Å; S68-T70 VanDerWaalsContact OG-CB 3.29Å; S68-T70 WeakPolarHBondContact OG-CB 3.4Å; S68-T70 PolarHBondContact OG-OG1 3.17Å; T70-Y72 HydrophobicContact CG2-CD1 4.29Å; T70-Y72 HydrophobicContact CG2-CD2 4.39Å; T70-Y72 HydrophobicContact CG2-CE1 3.69Å; T70-Y72 HydrophobicContact CG2-CE2 3.78Å
71	A	95.2	Very high	95.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	149.8	166.7	0	0	0	0	0	110.3	S13 C14 F21 M26 W28 V64	S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.29Å; C14-A71 PolarHBondContact N-O 2.91Å; C14-A71 PolarHBondContact O-N 2.89Å; F21-A71 HydrophobicContact CE2-CB 4.37Å; F21-A71 HydrophobicContact CZ-CB 4.08Å; M26-A71 HydrophobicContact CB-CB 4.15Å; M26-A71 HydrophobicContact CG-CB 3.62Å; W28-A71 HydrophobicContact CZ2-CB 4.38Å; V64-A71 HydrophobicContact CG1-CB 4.16Å
72	Y	97.2	Very high	95.5	Very high	52 Å²	52	48.6 Å²	48.6	20%	0.204	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148.5	176.9	-56.4	-87.1	0	0	0	111.2	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.38Å; K11-Y72 VanDerWaalsContact CE-CG 3.43Å; K11-Y72 HydrophobicContact CG-CD1 4.33Å; L12-Y72 CarbonylContact O-C 3.39Å; L12-Y72 WeakPolarHBondContact O-CA 3.33Å; S13-Y72 VanDerWaalsContact CB-CE1 3.44Å; L62-Y72 WeakPolarHBondContact CA-O 3.44Å; T63-Y72 PolarHBondContact N-O 2.82Å; T63-Y72 PolarHBondContact O-N 3.13Å; D65-Y72 HydrophobicContact CB-CE2 3.81Å; T70-Y72 HydrophobicContact CG2-CD1 4.29Å; T70-Y72 HydrophobicContact CG2-CD2 4.39Å; T70-Y72 HydrophobicContact CG2-CE1 3.69Å; T70-Y72 HydrophobicContact CG2-CE2 3.78Å
73	M	97.6	Very high	95.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	120.2	166.7	176.7	177	68.1	0	0	108.8	K11 L12 W28 I40 A60 T61 L62 L75 Y86	K11-M73 WeakPolarHBondContact CA-O 3.13Å; L12-M73 HydrophobicContact CD1-CE 3.75Å; L12-M73 PolarHBondContact N-O 2.84Å; L12-M73 PolarHBondContact O-N 2.79Å; W28-M73 HydrophobicContact CB-SD 3.86Å; W28-M73 HydrophobicContact CD2-CB 3.63Å; W28-M73 HydrophobicContact CD2-CE 4.21Å; W28-M73 HydrophobicContact CD2-CG 4.44Å; W28-M73 HydrophobicContact CD2-SD 4.07Å; W28-M73 HydrophobicContact CE3-CB 3.89Å; W28-M73 HydrophobicContact CE3-CE 3.66Å; W28-M73 HydrophobicContact CE3-SD 4.14Å; W28-M73 HydrophobicContact CG-CB 4.15Å; W28-M73 HydrophobicContact CG-SD 3.97Å; W28-M73 HydrophobicContact CH2-CB 4.08Å; W28-M73 HydrophobicContact CZ2-CB 3.85Å; W28-M73 HydrophobicContact CZ3-CB 4.1Å; W28-M73 HydrophobicContact CZ3-CE 4.2Å; I40-M73 HydrophobicContact CB-SD 4.5Å; I40-M73 HydrophobicContact CD1-CE 3.81Å; I40-M73 HydrophobicContact CD1-SD 3.59Å; I40-M73 VanDerWaalsContact CD1-SD 3.59Å; I40-M73 HydrophobicContact CG2-SD 3.86Å; A60-M73 HydrophobicContact CB-CG 4.4Å; A60-M73 HydrophobicContact CB-SD 4.39Å; T61-M73 WeakPolarHBondContact O-CA 3.32Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.14Å; M73-L75 HydrophobicContact CE-CD1 3.9Å; M73-L75 HydrophobicContact CE-CD2 4.23Å; M73-L75 HydrophobicContact CE-CG 4.01Å; M73-L75 HydrophobicContact CG-CD2 4.34Å; M73-L75 HydrophobicContact CG-CG 4.3Å; M73-L75 HydrophobicContact SD-CD2 4.03Å; M73-L75 HydrophobicContact SD-CG 4.32Å; M73-Y86 HydrophobicContact CE-CD1 3.67Å; M73-Y86 HydrophobicContact CE-CE1 4.31Å; M73-Y86 HydrophobicContact CE-CG 4.3Å
74	Q	98.2	Very high	95.4	Very high	91 Å²	91	47.6 Å²	47.6	43%	0.425	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	123.2	168.3	-175.9	173.3	1.5	0	0	109.1	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.41Å; V10-Q74 VanDerWaalsContact O-CA 3.31Å; V10-Q74 WeakPolarHBondContact O-CA 2.94Å; A60-Q74 CarbonylContact C-O 3.5Å; A60-Q74 WeakPolarHBondContact CA-O 3.44Å; T61-Q74 PolarHBondContact N-O 3.29Å; T61-Q74 PolarHBondContact O-N 2.82Å
75	L	97.7	Very high	95.4	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.1	170.2	-63.9	167	0	0	0	108.8	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.59Å; S9-L75 WeakPolarHBondContact CA-O 3.01Å; S9-L75 VanDerWaalsContact CB-O 3.32Å; S9-L75 WeakPolarHBondContact CB-O 2.96Å; V10-L75 HydrophobicContact CG1-CB 4.15Å; V10-L75 HydrophobicContact CG1-CD1 4.31Å; V10-L75 PolarHBondContact N-O 3.25Å; V10-L75 PolarHBondContact O-N 2.92Å; K59-L75 WeakPolarHBondContact O-CA 2.95Å; A60-L75 HydrophobicContact CB-CD2 3.94Å; M73-L75 HydrophobicContact CE-CD1 3.9Å; M73-L75 HydrophobicContact CE-CD2 4.23Å; M73-L75 HydrophobicContact CE-CG 4.01Å; M73-L75 HydrophobicContact CG-CD2 4.34Å; M73-L75 HydrophobicContact CG-CG 4.3Å; M73-L75 HydrophobicContact SD-CD2 4.03Å; M73-L75 HydrophobicContact SD-CG 4.32Å; L75-L78 HydrophobicContact CB-CD2 3.71Å; L75-L78 HydrophobicContact CB-CG 4.46Å; L75-L78 HydrophobicContact CD1-CD2 4.28Å; L75-Y86 HydrophobicContact CD1-CD1 4.07Å; L75-Y86 HydrophobicContact CD1-CE1 3.51Å; L75-Y86 HydrophobicContact CD1-CE2 4.28Å
76	S	97.3	Very high	95.4	Very high	36 Å²	36	44.6 Å²	44.6	25%	0.252	26%	0.257	S	S	.	.			trans	-107.2	160.4	-180	67.4	0	0	0	0	112.3	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.43Å; K59-S76 WeakPolarHBondContact CE-O 3.44Å; K59-S76 WeakPolarHBondContact CG-O 3.23Å; K59-S76 PolarHBondContact O-N 3.29Å; K59-S76 PolarHBondContact O-OG 3.32Å; S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 3.4Å
77	S	96	Very high	95.3	Very high	78 Å²	78	41.7 Å²	41.7	55%	0.545	24%	0.243	S	C	.	.	S	Bend	trans	48.8	51.7	172.7	-52	0	0	0	0	113	A8 K59	A8-S77 PolarHBondContact O-N 3.24Å; K59-S77 WeakPolarHBondContact CE-O 3.19Å
78	L	96.1	Very high	95.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.209	C	C	.	.			trans	-65	140.3	-173.1	-70.9	173.9	0	0	0	112	V4 P6 G7 A8 V10 L75 S76 D82 V112 V114	V4-L78 HydrophobicContact CG2-CD1 3.62Å; P6-L78 CarbonylContact C-O 3.54Å; P6-L78 WeakPolarHBondContact CA-O 3.25Å; G7-L78 PolarHBondContact N-O 2.88Å; A8-L78 WeakPolarHBondContact O-CB 3.28Å; A8-L78 WeakPolarHBondContact O-CG 3.14Å; A8-L78 PolarHBondContact O-N 2.97Å; V10-L78 HydrophobicContact CB-CD1 4.05Å; V10-L78 HydrophobicContact CG1-CD1 3.81Å; L75-L78 HydrophobicContact CB-CD2 3.71Å; L75-L78 HydrophobicContact CB-CG 4.46Å; L75-L78 HydrophobicContact CD1-CD2 4.28Å; S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 3.4Å; L78-D82 WeakPolarHBondContact CA-OD2 3.34Å; L78-D82 HydrophobicContact CD2-CB 3.63Å; L78-D82 WeakPolarHBondContact CD2-OD2 3.41Å; L78-V112 HydrophobicContact CD1-CG1 4.4Å; L78-V114 HydrophobicContact CB-CG1 4.34Å; L78-V114 HydrophobicContact CB-CG2 3.95Å; L78-V114 HydrophobicContact CD1-CG2 4.42Å
79	T	95.3	Very high	95	Very high	58 Å²	58	34.7 Å²	34.7	36%	0.356	20%	0.197	S	C	.	.			trans	-121.2	169.3	175.8	67.2	0	0	0	0	109.8	E81 D82 V114	T79-E81 PolarHBondContact O-N 3.3Å; T79-E81 VanDerWaalsContact O-N 3.1Å; T79-D82 PolarHBondContact N-OD2 2.88Å; T79-D82 WeakPolarHBondContact O-CB 3.43Å; T79-D82 PolarHBondContact O-N 2.01Å; T79-D82 PolarHBondContact OG1-OD2 3.2Å; T79-V114 WeakPolarHBondContact O-CB 3.31Å; T79-V114 WeakPolarHBondContact O-CG2 3.5Å
80	S	93.6	Very high	94.3	Very high	86 Å²	86	33 Å²	33	60%	0.601	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-54.1	-30.8	176.4	52.2	0	0	0	0	112.9	D82 T83	S80-D82 PolarHBondContact O-N 2.79Å; S80-T83 WeakPolarHBondContact O-CB 2.8Å; S80-T83 PolarHBondContact O-N 2.89Å; S80-T83 VanDerWaalsContact O-N 3.12Å; S80-T83 PolarHBondContact O-OG1 2.96Å
81	E	92.9	Very high	93.1	Very high	131 Å²	131	35.2 Å²	35.2	61%	0.612	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-67.6	-12.6	176.9	-60	-171	176.1	0	0	114.6	K30 R32 T79 T83	K30-E81 WeakPolarHBondContact CE-O 3.4Å; K30-E81 PolarHBondContact NZ-O 2.92Å; R32-E81 PolarHBondContact NE-O 3.32Å; R32-E81 PolarHBondContact NH2-O 3.09Å; T79-E81 PolarHBondContact O-N 3.3Å; T79-E81 VanDerWaalsContact O-N 3.1Å; E81-T83 VanDerWaalsContact C-N 3.34Å
82	D	95.2	Very high	91.1	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.027	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-87.5	-4.3	174.3	-56.5	-49.7	0	0	0	113.9	K30 K59 L78 T79 S80 A84 Y86 V114	K30-D82 IonicContact NZ-OD1 3.22Å; K30-D82 PolarHBondContact NZ-OD1 3.1Å; K59-D82 WeakPolarHBondContact CE-OD2 3.36Å; K59-D82 IonicContact NZ-OD1 3.03Å; K59-D82 PolarHBondContact NZ-OD1 2.96Å; K59-D82 IonicContact NZ-OD2 2.53Å; K59-D82 PolarHBondContact NZ-OD2 2.81Å; L78-D82 WeakPolarHBondContact CA-OD2 3.34Å; L78-D82 HydrophobicContact CD2-CB 3.63Å; L78-D82 WeakPolarHBondContact CD2-OD2 3.41Å; T79-D82 PolarHBondContact N-OD2 2.88Å; T79-D82 WeakPolarHBondContact O-CB 3.43Å; T79-D82 PolarHBondContact O-N 2.01Å; T79-D82 PolarHBondContact OG1-OD2 3.2Å; S80-D82 PolarHBondContact O-N 2.79Å; D82-A84 PolarHBondContact O-N 2.86Å; D82-A84 VanDerWaalsContact O-N 3.07Å; D82-Y86 WeakPolarHBondContact O-CE2 3.14Å; D82-Y86 PolarHBondContact O-OH 2.87Å; D82-V114 HydrophobicContact CB-CG2 4.23Å
83	T	96.3	Very high	88.5	Confident	47 Å²	47	39.8 Å²	39.8	29%	0.288	23%	0.229	S	C	.	.			trans	-62.3	112.1	170.4	-61.9	0	0	0	0	109.6	S80 E81 V112 T113 V114	S80-T83 WeakPolarHBondContact O-CB 2.8Å; S80-T83 PolarHBondContact O-N 2.89Å; S80-T83 VanDerWaalsContact O-N 3.12Å; S80-T83 PolarHBondContact O-OG1 2.96Å; E81-T83 VanDerWaalsContact C-N 3.34Å; T83-V112 VanDerWaalsContact CA-O 3.29Å; T83-V112 WeakPolarHBondContact CA-O 3.43Å; T83-T113 HydrophobicContact CG2-CG2 4.38Å; T83-V114 PolarHBondContact OG1-N 2.86Å
84	A	96.5	Very high	86	Confident	4 Å²	4	46.2 Å²	46.2	3%	0.033	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	169.5	-171.6	0	0	0	0	0	110.7	K30 Q31 R32 D82 Y86 V112	K30-A84 HydrophobicContact CD-CB 4.24Å; K30-A84 HydrophobicContact CG-CB 3.56Å; Q31-A84 WeakPolarHBondContact O-CA 3.35Å; Q31-A84 VanDerWaalsContact O-CB 3.25Å; Q31-A84 WeakPolarHBondContact O-CB 3.39Å; R32-A84 HydrophobicContact CG-CB 4.16Å; D82-A84 PolarHBondContact O-N 2.86Å; D82-A84 VanDerWaalsContact O-N 3.07Å; A84-Y86 HydrophobicContact CB-CD2 4.4Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; A84-V112 PolarHBondContact N-O 2.96Å; A84-V112 VanDerWaalsContact N-O 3.09Å; A84-V112 PolarHBondContact O-N 2.94Å
85	V	95.9	Very high	83.2	Confident	32 Å²	32	45 Å²	45	19%	0.194	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	132.2	162	-168.6	0	0	0	0	108.5	Q31 Y87	Q31-V85 PolarHBondContact N-O 3.12Å; Q31-V85 PolarHBondContact O-N 2.95Å; V85-Y87 HydrophobicContact CB-CE2 3.83Å; V85-Y87 HydrophobicContact CG1-CD1 4.46Å; V85-Y87 HydrophobicContact CG1-CD2 4.39Å; V85-Y87 HydrophobicContact CG1-CE1 3.76Å; V85-Y87 HydrophobicContact CG1-CE2 3.69Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.27Å
86	Y	95.6	Very high	80.9	Confident	3 Å²	3	51.9 Å²	51.9	1%	0.012	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.7	178.5	-67.9	-92.4	0	0	0	109.7	L12 V29 K30 I40 M73 L75 D82 A84 G109 T110 V112	L12-Y86 VanDerWaalsContact CD1-CB 3.46Å; L12-Y86 HydrophobicContact CD1-CD1 4.4Å; L12-Y86 HydrophobicContact CD1-CD2 4.18Å; L12-Y86 HydrophobicContact CD1-CG 3.76Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.46Å; K30-Y86 HydrophobicContact CB-CD1 4.1Å; K30-Y86 HydrophobicContact CB-CE1 3.84Å; K30-Y86 HydrophobicContact CD-CE1 3.92Å; K30-Y86 WeakPolarHBondContact CE-OH 3.38Å; K30-Y86 HydrophobicContact CG-CD1 4.31Å; K30-Y86 HydrophobicContact CG-CE1 3.74Å; I40-Y86 HydrophobicContact CD1-CD1 3.74Å; I40-Y86 HydrophobicContact CD1-CE1 3.86Å; M73-Y86 HydrophobicContact CE-CD1 3.67Å; M73-Y86 HydrophobicContact CE-CE1 4.31Å; M73-Y86 HydrophobicContact CE-CG 4.3Å; L75-Y86 HydrophobicContact CD1-CD1 4.07Å; L75-Y86 HydrophobicContact CD1-CE1 3.51Å; L75-Y86 HydrophobicContact CD1-CE2 4.28Å; D82-Y86 WeakPolarHBondContact O-CE2 3.14Å; D82-Y86 PolarHBondContact O-OH 2.87Å; A84-Y86 HydrophobicContact CB-CD2 4.4Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; Y86-G109 CarbonylContact O-C 3.58Å; Y86-G109 VanDerWaalsContact O-CA 3.26Å; Y86-G109 WeakPolarHBondContact O-CA 3.5Å; Y86-T110 PolarHBondContact N-O 3.38Å; Y86-T110 PolarHBondContact O-N 3.16Å; Y86-V112 HydrophobicContact CD2-CB 3.99Å; Y86-V112 HydrophobicContact CD2-CG2 3.66Å; Y86-V112 HydrophobicContact CE2-CB 3.78Å; Y86-V112 HydrophobicContact CE2-CG2 3.89Å
87	Y	92.8	Very high	78.4	Confident	42 Å²	42	60.1 Å²	60.1	17%	0.165	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	147	-178.9	-56.2	-86.1	0	0	0	109.9	W28 V29 Q31 V85 V105 G109	W28-Y87 WeakPolarHBondContact CA-O 3.43Å; V29-Y87 PolarHBondContact N-O 2.95Å; V29-Y87 PolarHBondContact O-N 2.8Å; Q31-Y87 HydrophobicContact CB-CD2 4.34Å; Q31-Y87 HydrophobicContact CB-CE2 3.67Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.3Å; Q31-Y87 PolarHBondContact OE1-OH 3.46Å; V85-Y87 HydrophobicContact CB-CE2 3.83Å; V85-Y87 HydrophobicContact CG1-CD1 4.46Å; V85-Y87 HydrophobicContact CG1-CD2 4.39Å; V85-Y87 HydrophobicContact CG1-CE1 3.76Å; V85-Y87 HydrophobicContact CG1-CE2 3.69Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.27Å; Y87-V105 HydrophobicContact CD1-CG1 3.8Å; Y87-V105 HydrophobicContact CG-CG1 4.39Å; Y87-G109 VanDerWaalsContact CD1-CA 3.44Å
88	C	91.3	Very high	75.8	Confident	10 Å²	10	60.7 Å²	60.7	7%	0.068	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	146.1	159.5	62.5	0	0	0	0	109.3	C14 M26 H27 W28 W106	C14-C88 HydrophobicContact CB-CB 3.41Å; C14-C88 VanDerWaalsContact CB-CB 3.41Å; C14-C88 WeakPolarHBondContact CB-SG 3.43Å; C14-C88 WeakPolarHBondContact SG-CB 3.32Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.04Å; M26-C88 HydrophobicContact SD-CB 3.8Å; H27-C88 CarbonylContact O-C 3.59Å; H27-C88 VanDerWaalsContact O-CA 3.23Å; H27-C88 WeakPolarHBondContact O-CA 3.41Å; W28-C88 HydrophobicContact CD2-CB 4.38Å; W28-C88 HydrophobicContact CE3-CB 4.2Å; W28-C88 HydrophobicContact CH2-CB 4.29Å; W28-C88 HydrophobicContact CZ2-CB 4.43Å; W28-C88 HydrophobicContact CZ3-CB 4.16Å; C88-W106 PolarHBondContact O-N 2.59Å; C88-W106 VanDerWaalsContact O-N 3.14Å
89	T	87	Confident	73.1	Confident	4 Å²	4	68.2 Å²	68.2	3%	0.025	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	155.6	-178.5	67.6	0	0	0	0	109.6	M26 H27 F103 D104 V105	M26-T89 VanDerWaalsContact SD-O 3.41Å; H27-T89 WeakPolarHBondContact CB-OG1 3.48Å; H27-T89 PolarHBondContact N-O 2.76Å; H27-T89 PolarHBondContact O-N 2.86Å; T89-F103 VanDerWaalsContact CB-CD1 3.49Å; T89-F103 HydrophobicContact CG2-CB 4.01Å; T89-F103 HydrophobicContact CG2-CD1 3.96Å; T89-F103 HydrophobicContact CG2-CG 4.19Å; T89-F103 WeakPolarHBondContact OG1-CD1 2.94Å; T89-F103 WeakPolarHBondContact OG1-CE1 3.31Å; T89-D104 WeakPolarHBondContact CA-O 3.48Å; T89-V105 HydrophobicContact CG2-CB 4.49Å; T89-V105 HydrophobicContact CG2-CG2 4.05Å
90	T	79	Confident	70.5	Confident	3 Å²	3	75 Å²	75	2%	0.018	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	141.1	-179.1	66.9	0	0	0	0	108.8	Y19 M26 G92 D104 W106	Y19-T90 HydrophobicContact CE1-CG2 3.71Å; Y19-T90 WeakPolarHBondContact OH-CG2 3.29Å; M26-T90 HydrophobicContact CE-CG2 3.76Å; M26-T90 HydrophobicContact SD-CG2 4.09Å; T90-G92 PolarHBondContact O-N 2.83Å; T90-D104 PolarHBondContact N-O 2.8Å; T90-W106 HydrophobicContact CG2-CD2 3.92Å; T90-W106 HydrophobicContact CG2-CE3 4.15Å; T90-W106 HydrophobicContact CG2-CG 4.22Å; T90-W106 HydrophobicContact CG2-CZ3 4.38Å
91	E	67.6	Low	68.3	Low	56 Å²	56	78.3 Å²	78.3	26%	0.262	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	111	167.5	-175.8	167.5	-156.6	0	0	107	Y24 W25 H27 R42	Y24-E91 WeakPolarHBondContact CD1-O 3.39Å; W25-E91 PolarHBondContact O-N 3.49Å; H27-E91 IonicContact NE2-OE2 3.86Å; R42-E91 IonicContact NH1-OE2 3.58Å
92	G	54.3	Low	66	Low	27 Å²	27	79.3 Å²	79.3	28%	0.278	40%	0.401	S	S	.	.			trans	-84.9	114.3	168.9	0	0	0	0	0	109.3	T90 I94	T90-G92 PolarHBondContact O-N 2.83Å; G92-I94 PolarHBondContact O-N 2.93Å
93	D	43.2	Very low	64	Low	122 Å²	122	82.7 Å²	82.7	65%	0.652	42%	0.416	S	S	*	.			trans	-68.6	96.3	164.8	-83.3	-40.4	0	0	0	108.1	Y24 G95	Y24-D93 HydrophobicContact CE1-CB 4.22Å; D93-G95 PolarHBondContact O-N 3.44Å
94	I	44.8	Very low	62.1	Low	135 Å²	135	83.8 Å²	83.8	69%	0.692	42%	0.42	S	S	*	.			trans	-78.8	104.8	157	-61.4	177.6	0	0	0	104.6	G92	G92-I94 PolarHBondContact O-N 2.93Å
95	G	38.7	Very low	60.3	Low	64 Å²	64	87.3 Å²	87.3	66%	0.66	44%	0.441	S	S	*	.	S	Bend	trans	-47.4	143.4	-177.4	0	0	0	0	0	112.7	D93	D93-G95 PolarHBondContact O-N 3.44Å
96	D	48.8	Very low	58.7	Low	147 Å²	147	88.1 Å²	88.1	79%	0.786	44%	0.44	S	S	*	.	S	Bend	trans	38.6	112.1	174.7	-84	-29.9	0	0	0	115.8
97	Y	44.8	Very low	57.3	Low	208 Å²	208	90.9 Å²	90.9	82%	0.816	47%	0.469	S	S	*	.	S	Bend	trans	91.3	119.5	173.8	-53.1	-79.2	0	0	0	117.1
98	S	42.3	Very low	56.7	Low	91 Å²	91	95.4 Å²	95.4	64%	0.636	50%	0.502	S	S	*	.			trans	100.1	133	150.9	83.4	0	0	0	0	117.6	Y100	S98-Y100 PolarHBondContact O-N 2.84Å
99	N	39.6	Very low	56.5	Low	158 Å²	158	96 Å²	96	85%	0.845	51%	0.509	S	S	*	.			trans	-64.4	41.8	-178.5	-62.3	-61.9	0	0	0	114.5
100	Y	41.4	Very low	56.8	Low	199 Å²	199	97.8 Å²	97.8	78%	0.78	52%	0.52	S	S	*	.			trans	-106.8	101.7	-179	-82.1	-84.1	0	0	0	110.8	S98 Y102	S98-Y100 PolarHBondContact O-N 2.84Å; Y100-Y102 VanDerWaalsContact C-N 3.34Å; Y100-Y102 PolarHBondContact O-N 2.78Å
101	W	46.7	Very low	57.6	Low	157 Å²	157	100.4 Å²	100.4	60%	0.595	54%	0.537	S	S	*	.			trans	-72	86.3	172.6	-55.9	72.6	0	0	0	108.4	F103	W101-F103 HydrophobicContact CB-CE2 4.34Å; W101-F103 HydrophobicContact CB-CZ 4.49Å; W101-F103 PolarHBondContact O-N 3.25Å; W101-F103 VanDerWaalsContact O-N 3.09Å
102	Y	44.4	Very low	59	Low	152 Å²	152	97.8 Å²	97.8	60%	0.596	52%	0.524	S	S	*	.			trans	-75.4	100	169.4	-157	-96.9	0	0	0	107.7	Y100 D104	Y100-Y102 VanDerWaalsContact C-N 3.34Å; Y100-Y102 PolarHBondContact O-N 2.78Å; Y102-D104 WeakPolarHBondContact CD1-OD1 3.29Å; Y102-D104 WeakPolarHBondContact CE1-OD1 3.45Å; Y102-D104 PolarHBondContact O-N 2.81Å; Y102-D104 VanDerWaalsContact O-N 3.17Å
103	F	53.3	Low	61	Low	75 Å²	75	99 Å²	99	33%	0.329	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	101.1	167.7	-68	-63.3	0	0	0	107.3	T89 W101 V105	T89-F103 VanDerWaalsContact CB-CD1 3.49Å; T89-F103 HydrophobicContact CG2-CB 4.01Å; T89-F103 HydrophobicContact CG2-CD1 3.96Å; T89-F103 HydrophobicContact CG2-CG 4.19Å; T89-F103 WeakPolarHBondContact OG1-CD1 2.94Å; T89-F103 WeakPolarHBondContact OG1-CE1 3.31Å; W101-F103 HydrophobicContact CB-CE2 4.34Å; W101-F103 HydrophobicContact CB-CZ 4.49Å; W101-F103 PolarHBondContact O-N 3.25Å; W101-F103 VanDerWaalsContact O-N 3.09Å; F103-V105 VanDerWaalsContact C-N 3.26Å; F103-V105 HydrophobicContact CB-CG2 4.23Å; F103-V105 PolarHBondContact O-N 2.78Å
104	D	56.3	Low	63.5	Low	71 Å²	71	93.6 Å²	93.6	38%	0.38	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	103.1	153.7	-75.4	-35.6	0	0	0	105.5	T89 T90 Y102 W106	T89-D104 WeakPolarHBondContact CA-O 3.48Å; T90-D104 PolarHBondContact N-O 2.8Å; Y102-D104 WeakPolarHBondContact CD1-OD1 3.29Å; Y102-D104 WeakPolarHBondContact CE1-OD1 3.45Å; Y102-D104 PolarHBondContact O-N 2.81Å; Y102-D104 VanDerWaalsContact O-N 3.17Å; D104-W106 PolarHBondContact O-N 3.1Å
105	V	58.8	Low	65.7	Low	77 Å²	77	88.6 Å²	88.6	47%	0.467	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	114.4	175.3	-178.5	0	0	0	0	106.9	Y87 T89 F103 G107	Y87-V105 HydrophobicContact CD1-CG1 3.8Å; Y87-V105 HydrophobicContact CG-CG1 4.39Å; T89-V105 HydrophobicContact CG2-CB 4.49Å; T89-V105 HydrophobicContact CG2-CG2 4.05Å; F103-V105 VanDerWaalsContact C-N 3.26Å; F103-V105 HydrophobicContact CB-CG2 4.23Å; F103-V105 PolarHBondContact O-N 2.78Å; V105-G107 PolarHBondContact O-N 3.36Å
106	W	61.7	Low	67.8	Low	50 Å²	50	90.4 Å²	90.4	19%	0.189	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	102.2	-176.3	-78.6	30.3	0	0	0	108.5	A16 S17 Y19 C88 T90 D104	A16-W106 HydrophobicContact CB-CE3 4.18Å; A16-W106 HydrophobicContact CB-CH2 4.25Å; A16-W106 HydrophobicContact CB-CZ3 3.38Å; S17-W106 VanDerWaalsContact C-CH2 3.44Å; S17-W106 WeakPolarHBondContact O-CH2 3.4Å; S17-W106 WeakPolarHBondContact O-CZ2 3.46Å; Y19-W106 AromaticContact CD1-CH2 3.18Å; Y19-W106 HydrophobicContact CD1-CH2 3.18Å; Y19-W106 AromaticContact CD1-CZ2 3.36Å; Y19-W106 HydrophobicContact CD1-CZ2 3.36Å; Y19-W106 HydrophobicContact CD1-CZ3 4.11Å; Y19-W106 HydrophobicContact CE1-CD2 4.45Å; Y19-W106 AromaticContact CE1-CE2 3.76Å; Y19-W106 HydrophobicContact CE1-CE3 4.26Å; Y19-W106 AromaticContact CE1-CH2 2.79Å; Y19-W106 HydrophobicContact CE1-CH2 2.79Å; Y19-W106 AromaticContact CE1-CZ2 3.05Å; Y19-W106 HydrophobicContact CE1-CZ2 3.05Å; Y19-W106 AromaticContact CE1-CZ3 3.31Å; Y19-W106 HydrophobicContact CE1-CZ3 3.31Å; Y19-W106 HydrophobicContact CG-CH2 4.18Å; Y19-W106 AromaticContact CZ-CH2 3.51Å; Y19-W106 AromaticContact CZ-CZ3 3.55Å; Y19-W106 WeakPolarHBondContact OH-CZ3 3.2Å; C88-W106 PolarHBondContact O-N 2.59Å; C88-W106 VanDerWaalsContact O-N 3.14Å; T90-W106 HydrophobicContact CG2-CD2 3.92Å; T90-W106 HydrophobicContact CG2-CE3 4.15Å; T90-W106 HydrophobicContact CG2-CG 4.22Å; T90-W106 HydrophobicContact CG2-CZ3 4.38Å; D104-W106 PolarHBondContact O-N 3.1Å
107	G	65.7	Low	69	Low	60 Å²	60	90.9 Å²	90.9	62%	0.619	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	86.1	-173.6	178	0	0	0	0	0	114.5	V105 G109	V105-G107 PolarHBondContact O-N 3.36Å; G107-G109 VanDerWaalsContact C-N 3.26Å; G107-G109 PolarHBondContact O-N 3.49Å
108	T	80.8	Confident	69.8	Low	137 Å²	137	86 Å²	86	84%	0.84	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	3.1	-175.3	51.3	0	0	0	0	113.7
109	G	88	Confident	70.4	Confident	22 Å²	22	87.4 Å²	87.4	23%	0.227	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	73.3	163.2	-171	0	0	0	0	0	113.5	Y86 Y87 G107	Y86-G109 CarbonylContact O-C 3.58Å; Y86-G109 VanDerWaalsContact O-CA 3.26Å; Y86-G109 WeakPolarHBondContact O-CA 3.5Å; Y87-G109 VanDerWaalsContact CD1-CA 3.44Å; G107-G109 VanDerWaalsContact C-N 3.26Å; G107-G109 PolarHBondContact O-N 3.49Å
110	T	93.7	Very high	70.9	Confident	42 Å²	42	85.8 Å²	85.8	26%	0.258	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	115.2	177.2	-59.5	0	0	0	0	109.6	E2 L12 Y86 V112	E2-T110 HydrophobicContact CG-CG2 4.31Å; L12-T110 HydrophobicContact CD2-CG2 3.92Å; Y86-T110 PolarHBondContact N-O 3.38Å; Y86-T110 PolarHBondContact O-N 3.16Å; T110-V112 PolarHBondContact O-N 3.17Å
111	T	95.8	Very high	71.3	Confident	59 Å²	59	87.9 Å²	87.9	36%	0.362	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	123.5	170	-56.6	0	0	0	0	109.4	A1 E2	A1-T111 CarbonylContact C-O 3.56Å; A1-T111 WeakPolarHBondContact CA-O 3.18Å; A1-T111 WeakPolarHBondContact CB-O 3.08Å; E2-T111 PolarHBondContact N-O 2.98Å
112	V	96.2	Very high	72.5	Confident	0 Å²	0	84.4 Å²	84.4	0%	0	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.5	168.8	179.3	0	0	0	0	107.4	E2 V4 V10 L12 L78 T83 A84 Y86 T110 V114	E2-V112 HydrophobicContact CB-CG2 4.28Å; E2-V112 CarbonylContact O-C 3.54Å; E2-V112 WeakPolarHBondContact O-CA 3.35Å; V4-V112 HydrophobicContact CG2-CG1 4.27Å; V10-V112 HydrophobicContact CG1-CG1 4.41Å; V10-V112 HydrophobicContact CG1-CG2 4.38Å; L12-V112 HydrophobicContact CD1-CG2 4.24Å; L12-V112 HydrophobicContact CD2-CG2 3.98Å; L78-V112 HydrophobicContact CD1-CG1 4.4Å; T83-V112 VanDerWaalsContact CA-O 3.29Å; T83-V112 WeakPolarHBondContact CA-O 3.43Å; A84-V112 PolarHBondContact N-O 2.96Å; A84-V112 VanDerWaalsContact N-O 3.09Å; A84-V112 PolarHBondContact O-N 2.94Å; Y86-V112 HydrophobicContact CD2-CB 3.99Å; Y86-V112 HydrophobicContact CD2-CG2 3.66Å; Y86-V112 HydrophobicContact CE2-CB 3.78Å; Y86-V112 HydrophobicContact CE2-CG2 3.89Å; T110-V112 PolarHBondContact O-N 3.17Å; V112-V114 HydrophobicContact CG1-CG2 4.42Å
113	T	96.3	Very high	74	Confident	53 Å²	53	80.8 Å²	80.8	33%	0.325	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.2	176.9	-56.3	0	0	0	0	108.9	E2 L3 V4 T83	E2-T113 PolarHBondContact O-N 3.09Å; L3-T113 WeakPolarHBondContact CA-O 3.27Å; L3-T113 HydrophobicContact CD1-CG2 3.74Å; V4-T113 PolarHBondContact N-O 3.25Å; T83-T113 HydrophobicContact CG2-CG2 4.38Å
114	V	94.6	Very high	75.2	Confident	9 Å²	9	81.2 Å²	81.2	6%	0.055	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	105.3	177.6	-170.2	0	0	0	0	108.4	V4 P6 L78 T79 D82 T83 V112	V4-V114 HydrophobicContact CG2-CB 4.46Å; V4-V114 HydrophobicContact CG2-CG1 4.5Å; V4-V114 HydrophobicContact CG2-CG2 3.89Å; V4-V114 VanDerWaalsContact O-CA 3.31Å; V4-V114 WeakPolarHBondContact O-CA 3.49Å; P6-V114 HydrophobicContact CB-CG1 4.36Å; P6-V114 HydrophobicContact CG-CG1 4.1Å; L78-V114 HydrophobicContact CB-CG1 4.34Å; L78-V114 HydrophobicContact CB-CG2 3.95Å; L78-V114 HydrophobicContact CD1-CG2 4.42Å; T79-V114 WeakPolarHBondContact O-CB 3.31Å; T79-V114 WeakPolarHBondContact O-CG2 3.5Å; D82-V114 HydrophobicContact CB-CG2 4.23Å; T83-V114 PolarHBondContact OG1-N 2.86Å; V112-V114 HydrophobicContact CG1-CG2 4.42Å
115	S	92	Very high	76.3	Confident	29 Å²	29	81.8 Å²	81.8	20%	0.203	48%	0.484	C	S	.	.			trans	-136.5	143.6	-178.3	-175.4	0	0	0	0	111.5	V4 E117	V4-S115 PolarHBondContact O-N 3.45Å; S115-E117 VanDerWaalsContact C-N 3.28Å; S115-E117 WeakPolarHBondContact OG-CB 3.24Å; S115-E117 PolarHBondContact OG-N 2.97Å; S115-E117 VanDerWaalsContact OG-N 3.11Å
116	S	83.3	Confident	77.4	Confident	102 Å²	102	82.1 Å²	82.1	71%	0.713	49%	0.485	S	S	*	.			trans	-82.3	-7.9	170.6	51.6	0	0	0	0	112.9
117	E	74.1	Confident	78.4	Confident	157 Å²	157	84.2 Å²	84.2	73%	0.734	50%	0.504	S	S	*	.			trans	-68.4	135.3	-178.7	-68.8	172.8	165.1	0	0	110.9	S115	S115-E117 VanDerWaalsContact C-N 3.28Å; S115-E117 WeakPolarHBondContact OG-CB 3.24Å; S115-E117 PolarHBondContact OG-N 2.97Å; S115-E117 VanDerWaalsContact OG-N 3.11Å
118	S	61.2	Low	79.3	Confident	105 Å²	105	85.9 Å²	85.9	73%	0.734	50%	0.496	S	S	*	.			trans	-78.7	134.8	167.2	29.8	0	0	0	0	108.1	S120	S118-S120 PolarHBondContact O-N 2.56Å
119	Q	54.1	Low	79.2	Confident	122 Å²	122	82 Å²	82	57%	0.57	47%	0.47	S	S	*	.			trans	-59.2	111.3	170.5	-73.9	179.9	-20.6	0	0	107.8	L3 F121	L3-Q119 HydrophobicContact CD2-CG 4.06Å; Q119-F121 HydrophobicContact CB-CD2 4.01Å; Q119-F121 HydrophobicContact CB-CE2 3.69Å; Q119-F121 HydrophobicContact CB-CZ 4.27Å; Q119-F121 HydrophobicContact CG-CE2 4.45Å; Q119-F121 PolarHBondContact O-N 2.73Å
120	S	50.9	Low	78.5	Confident	123 Å²	123	87 Å²	87	86%	0.86	49%	0.49	S	S	*	.			trans	-76.3	105.2	161.5	-9	0	0	0	0	105.3	S118	S118-S120 PolarHBondContact O-N 2.56Å
121	F	49.6	Very low	77.1	Confident	243 Å²	243	91.1 Å²	91.1	100%	1.066	51%	0.511	S	S	*	.			trans	-86.5	0	164.3	-73.1	-78.6	0	0	0	109.3	Q119	Q119-F121 HydrophobicContact CB-CD2 4.01Å; Q119-F121 HydrophobicContact CB-CE2 3.69Å; Q119-F121 HydrophobicContact CB-CZ 4.27Å; Q119-F121 HydrophobicContact CG-CE2 4.45Å; Q119-F121 PolarHBondContact O-N 2.73Å

Retrieved 121 of 121 residues in 29.2 ms (Link to these results)

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