X5J4Z0_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4Z0, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 aa.

						>X5J4Z0_MOUSE|X5J4Z0
AELVRPGSSVKLSCKASGYTFTSYWMHWVKQRPIQGLEWIGNIDPSDSETHYNQKLKDKATLTVDKSSSTAYMQLSSLTSEDSAVYYCARQLRLRYYAMDYWGQGTSVTVSS
					

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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	80.8	Confident	93.9	Very high	118 Å²	118	79.2 Å²	79.2	98%	0.975	46%	0.46	S	S	*	.				0	145.1	0	0	0	0	0	0	107.9	S107	A1-S107 CarbonylContact C-O 3.58Å; A1-S107 WeakPolarHBondContact CA-O 3Å
2	E	89.3	Confident	94.2	Very high	74 Å²	74	73.3 Å²	73.3	35%	0.346	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.3	-175.8	-154.8	170.5	149	0	0	110	V4 V10 S107 V108 T109	E2-V4 HydrophobicContact CG-CG1 3.77Å; E2-V10 HydrophobicContact CG-CG2 4.49Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.28Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.33Å; E2-S107 PolarHBondContact N-O 3.17Å; E2-V108 HydrophobicContact CB-CG2 4.49Å; E2-V108 CarbonylContact O-C 3.4Å; E2-V108 WeakPolarHBondContact O-CA 3.49Å; E2-T109 PolarHBondContact O-N 3.43Å
3	L	94.6	Very high	94.5	Very high	129 Å²	129	73.7 Å²	73.7	68%	0.675	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.3	175.5	-179.5	66.2	0	0	0	107.8	T109 S111	L3-T109 WeakPolarHBondContact CA-O 3.35Å; L3-T109 HydrophobicContact CD1-CG2 3.92Å; L3-S111 WeakPolarHBondContact CD1-OG 2.69Å
4	V	95.5	Very high	94.7	Very high	17 Å²	17	69.5 Å²	69.5	10%	0.103	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	156	-172.7	-56.8	0	0	0	0	111.1	E2 S8 L78 V108 T109 V110 S111	E2-V4 HydrophobicContact CG-CG1 3.77Å; V4-S8 WeakPolarHBondContact CB-OG 3.44Å; V4-L78 HydrophobicContact CG2-CD1 3.54Å; V4-V108 HydrophobicContact CG2-CG1 4.24Å; V4-T109 PolarHBondContact N-O 2.63Å; V4-V110 HydrophobicContact CG2-CB 4.37Å; V4-V110 HydrophobicContact CG2-CG1 4.41Å; V4-V110 HydrophobicContact CG2-CG2 3.81Å; V4-V110 WeakPolarHBondContact O-CA 3.29Å; V4-S111 PolarHBondContact O-N 2.94Å
5	R	95.7	Very high	94.9	Very high	187 Å²	187	75.3 Å²	75.3	71%	0.706	43%	0.429	S	S	*	.			trans	-84.7	151.9	178.6	-67.6	-178.2	179.5	170.5	0.7	111	G7 S8	R5-G7 PolarHBondContact O-N 2.93Å; R5-S8 VanDerWaalsContact O-CB 3.31Å; R5-S8 WeakPolarHBondContact O-CB 3.44Å; R5-S8 PolarHBondContact O-N 2.81Å; R5-S8 PolarHBondContact O-OG 3.04Å
6	P	96.6	Very high	94.8	Very high	74 Å²	74	71.3 Å²	71.3	48%	0.481	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	141.2	170.7	-25.3	34	0	0	0	112.2	S8 L78 V110	P6-S8 VanDerWaalsContact C-N 3.27Å; P6-S8 PolarHBondContact O-N 3.4Å; P6-L78 CarbonylContact C-O 3.46Å; P6-L78 WeakPolarHBondContact CA-O 3.32Å; P6-V110 HydrophobicContact CB-CG1 4.42Å; P6-V110 HydrophobicContact CG-CG1 4.17Å
7	G	94.8	Very high	94.7	Very high	56 Å²	56	73.4 Å²	73.4	58%	0.577	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-8.9	-177.8	0	0	0	0	0	115.1	R5 L78	R5-G7 PolarHBondContact O-N 2.93Å; G7-L78 PolarHBondContact N-O 3.2Å
8	S	95.6	Very high	94.5	Very high	37 Å²	37	74.1 Å²	74.1	26%	0.259	45%	0.453	S	S	.	.			trans	-78.2	170.9	176.3	66.9	0	0	0	0	112.7	V4 R5 P6 S77 L78	V4-S8 WeakPolarHBondContact CB-OG 3.44Å; R5-S8 VanDerWaalsContact O-CB 3.31Å; R5-S8 WeakPolarHBondContact O-CB 3.44Å; R5-S8 PolarHBondContact O-N 2.81Å; R5-S8 PolarHBondContact O-OG 3.04Å; P6-S8 VanDerWaalsContact C-N 3.27Å; P6-S8 PolarHBondContact O-N 3.4Å; S8-S77 PolarHBondContact O-N 3.38Å; S8-L78 WeakPolarHBondContact O-CB 3.41Å; S8-L78 WeakPolarHBondContact O-CG 3.49Å; S8-L78 PolarHBondContact O-N 3.23Å
9	S	96.2	Very high	94.3	Very high	59 Å²	59	72.8 Å²	72.8	41%	0.413	44%	0.44	S	S	.	.			trans	-118	148	174.2	-59.7	0	0	0	0	110.4	L75 S76	S9-L75 CarbonylContact C-O 3.55Å; S9-L75 WeakPolarHBondContact CA-O 3.46Å; S9-L75 VanDerWaalsContact CB-O 3.23Å; S9-L75 WeakPolarHBondContact CB-O 3.25Å; S9-S76 WeakPolarHBondContact OG-CA 3.41Å; S9-S76 PolarHBondContact OG-OG 3Å
10	V	96.7	Very high	94.3	Very high	3 Å²	3	73.7 Å²	73.7	2%	0.018	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.4	174.3	60.9	0	0	0	0	110.1	E2 L12 Q74 L75 L78 V108	E2-V10 HydrophobicContact CG-CG2 4.49Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.28Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.33Å; V10-L12 HydrophobicContact CG2-CD2 3.75Å; V10-L12 HydrophobicContact CG2-CG 4.25Å; V10-Q74 CarbonylContact O-C 3.38Å; V10-Q74 WeakPolarHBondContact O-CA 3.3Å; V10-L75 HydrophobicContact CG1-CB 3.84Å; V10-L75 HydrophobicContact CG1-CD1 3.93Å; V10-L75 HydrophobicContact CG1-CG 4.33Å; V10-L75 PolarHBondContact N-O 2.71Å; V10-L75 PolarHBondContact O-N 3.45Å; V10-L78 HydrophobicContact CB-CD1 4.27Å; V10-L78 HydrophobicContact CG1-CD1 3.77Å; V10-V108 HydrophobicContact CG1-CG1 4.44Å
11	K	97.4	Very high	94.3	Very high	117 Å²	117	70.5 Å²	70.5	51%	0.509	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	109.8	171.2	-172.7	177.3	-178.6	178.9	0	110.1	Y72	K11-Y72 HydrophobicContact CD-CD1 4.4Å; K11-Y72 VanDerWaalsContact CE-CD1 3.47Å; K11-Y72 HydrophobicContact CG-CD1 4.38Å
12	L	97.8	Very high	95	Very high	9 Å²	9	67.5 Å²	67.5	5%	0.047	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	148.4	174.1	-56.9	-177.6	0	0	0	110.2	V10 W28 Y72 M73 Y86 T106 V108	V10-L12 HydrophobicContact CG2-CD2 3.75Å; V10-L12 HydrophobicContact CG2-CG 4.25Å; L12-W28 HydrophobicContact CB-CH2 3.9Å; L12-W28 HydrophobicContact CB-CZ3 3.82Å; L12-W28 HydrophobicContact CD1-CZ3 4.39Å; L12-Y72 WeakPolarHBondContact O-CA 3.46Å; L12-M73 HydrophobicContact CD1-CE 3.74Å; L12-M73 PolarHBondContact N-O 2.85Å; L12-M73 PolarHBondContact O-N 2.82Å; L12-Y86 VanDerWaalsContact CD1-CB 3.44Å; L12-Y86 HydrophobicContact CD1-CD1 4.35Å; L12-Y86 HydrophobicContact CD1-CD2 4.19Å; L12-Y86 HydrophobicContact CD1-CG 3.75Å; L12-T106 HydrophobicContact CD2-CG2 3.99Å; L12-V108 HydrophobicContact CD1-CG2 4.26Å; L12-V108 HydrophobicContact CD2-CG2 4.02Å
13	S	97.6	Very high	95.2	Very high	78 Å²	78	66.2 Å²	66.2	55%	0.545	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	148	178.1	66.9	0	0	0	0	111.2	A71 Y72	S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.42Å; S13-Y72 VanDerWaalsContact CB-CD1 3.47Å; S13-Y72 VanDerWaalsContact CB-CE1 3.44Å
14	C	97.4	Very high	95.2	Very high	15 Å²	15	62 Å²	62	10%	0.101	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	105.4	175.1	-178.7	0	0	0	0	108.8	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.94Å; C14-W28 HydrophobicContact CB-CZ2 4.02Å; C14-T70 WeakPolarHBondContact O-CA 3.43Å; C14-A71 PolarHBondContact N-O 3.11Å; C14-A71 PolarHBondContact O-N 3.11Å; C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.34Å; C14-C88 WeakPolarHBondContact SG-CB 3.45Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.21Å
15	K	97	Very high	95.2	Very high	157 Å²	157	62.7 Å²	62.7	68%	0.683	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	124.4	-178.9	-173.3	173.6	-177.2	178.1	0	110.4	T70	K15-T70 HydrophobicContact CB-CG2 4.4Å
16	A	94.4	Very high	95.2	Very high	11 Å²	11	53.9 Å²	53.9	9%	0.091	34%	0.337	C	S	.	.			trans	-74.2	145.8	174.2	0	0	0	0	0	111.1	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.73Å; A16-Y19 HydrophobicContact CB-CE2 4.05Å; A16-Y19 VanDerWaalsContact CB-CZ 3.41Å; A16-Y19 VanDerWaalsContact CB-OH 3.25Å; A16-Y19 WeakPolarHBondContact CB-OH 3.4Å; A16-F21 HydrophobicContact CB-CB 4.01Å; A16-F21 HydrophobicContact CB-CD2 3.44Å; A16-F21 VanDerWaalsContact CB-CD2 3.44Å; A16-F21 HydrophobicContact CB-CE2 4.15Å; A16-F21 HydrophobicContact CB-CG 3.95Å; A16-S69 WeakPolarHBondContact CB-O 3.41Å; A16-S69 PolarHBondContact N-O 3.3Å
17	S	92.8	Very high	95.3	Very high	107 Å²	107	50.7 Å²	50.7	75%	0.748	32%	0.316	S	S	*	.			trans	-149.1	136.9	176.6	-175.3	0	0	0	0	110.2	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.34Å
18	G	91.5	Very high	95.4	Very high	85 Å²	85	48.2 Å²	48.2	88%	0.876	29%	0.289	S	S	*	.	S	Bend	trans	77.8	16.3	175	0	0	0	0	0	115.9
19	Y	90.6	Very high	95.5	Very high	51 Å²	51	46.7 Å²	46.7	20%	0.2	28%	0.278	C	S	.	.	S	Bend	trans	-156.3	164.4	174.5	65.4	-83	0	0	0	112.2	A16 S17 F21 Y24 M26 R90	A16-Y19 HydrophobicContact CB-CE1 3.73Å; A16-Y19 HydrophobicContact CB-CE2 4.05Å; A16-Y19 VanDerWaalsContact CB-CZ 3.41Å; A16-Y19 VanDerWaalsContact CB-OH 3.25Å; A16-Y19 WeakPolarHBondContact CB-OH 3.4Å; S17-Y19 WeakPolarHBondContact O-CD1 3.34Å; Y19-F21 HydrophobicContact CE2-CD2 4.44Å; Y19-F21 PolarHBondContact O-N 2.95Å; Y19-F21 VanDerWaalsContact O-N 3.1Å; Y19-Y24 AromaticContact CD2-CD2 3.4Å; Y19-Y24 HydrophobicContact CD2-CD2 3.4Å; Y19-Y24 AromaticContact CD2-CE2 3.47Å; Y19-Y24 HydrophobicContact CD2-CE2 3.47Å; Y19-Y24 VanDerWaalsContact CD2-CE2 3.47Å; Y19-Y24 HydrophobicContact CD2-CG 4.18Å; Y19-Y24 AromaticContact CE2-CD2 3.67Å; Y19-Y24 HydrophobicContact CE2-CD2 3.67Å; Y19-Y24 HydrophobicContact CE2-CE2 4.18Å; Y19-Y24 HydrophobicContact CE2-CG 4.04Å; Y19-Y24 HydrophobicContact CG-CE2 4.21Å; Y19-M26 WeakPolarHBondContact OH-CE 3.24Å; Y19-R90 VanDerWaalsContact CE1-NH1 3.32Å
20	T	94.4	Very high	95.4	Very high	90 Å²	90	44.2 Å²	44.2	55%	0.552	26%	0.26	S	S	*	.			trans	-71.9	100.6	173.4	-54.8	0	0	0	0	110	T22 S23 Y24	T20-T22 VanDerWaalsContact C-N 3.26Å; T20-T22 PolarHBondContact O-N 2.76Å; T20-S23 WeakPolarHBondContact CG2-OG 3.47Å; T20-S23 WeakPolarHBondContact O-CB 3.43Å; T20-S23 PolarHBondContact O-N 2.98Å; T20-Y24 WeakPolarHBondContact O-CD2 3.45Å
21	F	94.9	Very high	95.4	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.026	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-52.1	-40.6	-174.5	178.9	-129.7	0	0	0	114	A16 Y19 S23 Y24 M26 P45 V64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.01Å; A16-F21 HydrophobicContact CB-CD2 3.44Å; A16-F21 VanDerWaalsContact CB-CD2 3.44Å; A16-F21 HydrophobicContact CB-CE2 4.15Å; A16-F21 HydrophobicContact CB-CG 3.95Å; Y19-F21 HydrophobicContact CE2-CD2 4.44Å; Y19-F21 PolarHBondContact O-N 2.95Å; Y19-F21 VanDerWaalsContact O-N 3.1Å; F21-S23 PolarHBondContact O-N 3.06Å; F21-Y24 PolarHBondContact O-N 2.9Å; F21-M26 HydrophobicContact CD2-CE 4.45Å; F21-M26 HydrophobicContact CE2-CE 3.9Å; F21-P45 HydrophobicContact CD1-CB 3.71Å; F21-P45 HydrophobicContact CD1-CG 4.22Å; F21-P45 HydrophobicContact CD2-CB 4.44Å; F21-P45 HydrophobicContact CD2-CG 4.07Å; F21-P45 HydrophobicContact CE1-CB 3.44Å; F21-P45 VanDerWaalsContact CE1-CB 3.44Å; F21-P45 HydrophobicContact CE1-CG 3.86Å; F21-P45 HydrophobicContact CE2-CB 4.2Å; F21-P45 HydrophobicContact CE2-CG 3.67Å; F21-P45 HydrophobicContact CG-CB 4.23Å; F21-P45 HydrophobicContact CG-CG 4.35Å; F21-P45 HydrophobicContact CZ-CB 3.7Å; F21-P45 HydrophobicContact CZ-CG 3.56Å; F21-V64 HydrophobicContact CE1-CG1 4.46Å; F21-V64 HydrophobicContact CZ-CG1 4.16Å; F21-S69 VanDerWaalsContact CD1-CA 3.47Å; F21-A71 HydrophobicContact CE2-CB 4.47Å; F21-A71 HydrophobicContact CZ-CB 4.08Å
22	T	95.2	Very high	95.2	Very high	56 Å²	56	44 Å²	44	34%	0.344	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-73.9	-1.8	-179.6	55	0	0	0	0	114.8	T20	T20-T22 VanDerWaalsContact C-N 3.26Å; T20-T22 PolarHBondContact O-N 2.76Å
23	S	93.5	Very high	94.5	Very high	47 Å²	47	49.9 Å²	49.9	33%	0.329	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-91.2	0.5	175.1	-59.1	0	0	0	0	113.5	T20 F21 R93	T20-S23 WeakPolarHBondContact CG2-OG 3.47Å; T20-S23 WeakPolarHBondContact O-CB 3.43Å; T20-S23 PolarHBondContact O-N 2.98Å; F21-S23 PolarHBondContact O-N 3.06Å; S23-R93 WeakPolarHBondContact O-CB 3.47Å; S23-R93 PolarHBondContact O-N 3.44Å
24	Y	93.8	Very high	93.9	Very high	40 Å²	40	54 Å²	54	16%	0.157	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	141.2	-172.2	-65.7	-102.3	0	0	0	111.4	Y19 T20 F21 P45 R90 Q91 L92	Y19-Y24 AromaticContact CD2-CD2 3.4Å; Y19-Y24 HydrophobicContact CD2-CD2 3.4Å; Y19-Y24 AromaticContact CD2-CE2 3.47Å; Y19-Y24 HydrophobicContact CD2-CE2 3.47Å; Y19-Y24 VanDerWaalsContact CD2-CE2 3.47Å; Y19-Y24 HydrophobicContact CD2-CG 4.18Å; Y19-Y24 AromaticContact CE2-CD2 3.67Å; Y19-Y24 HydrophobicContact CE2-CD2 3.67Å; Y19-Y24 HydrophobicContact CE2-CE2 4.18Å; Y19-Y24 HydrophobicContact CE2-CG 4.04Å; Y19-Y24 HydrophobicContact CG-CE2 4.21Å; T20-Y24 WeakPolarHBondContact O-CD2 3.45Å; F21-Y24 PolarHBondContact O-N 2.9Å; Y24-P45 WeakPolarHBondContact O-CD 3.39Å; Y24-P45 WeakPolarHBondContact O-CG 3.47Å; Y24-R90 HydrophobicContact CD1-CB 4.03Å; Y24-R90 HydrophobicContact CD1-CG 3.74Å; Y24-R90 HydrophobicContact CE1-CG 4.19Å; Y24-R90 HydrophobicContact CG-CB 4.38Å; Y24-R90 HydrophobicContact CG-CG 4.46Å; Y24-Q91 CarbonylContact C-O 3.53Å; Y24-Q91 WeakPolarHBondContact CA-O 3.27Å; Y24-Q91 WeakPolarHBondContact CB-O 3.08Å; Y24-L92 VanDerWaalsContact CD1-CA 3.5Å; Y24-L92 HydrophobicContact CD1-CB 4.07Å; Y24-L92 HydrophobicContact CD1-CD1 4.21Å; Y24-L92 HydrophobicContact CD2-CD1 4.39Å; Y24-L92 HydrophobicContact CE1-CB 3.81Å; Y24-L92 HydrophobicContact CE1-CD1 3.69Å; Y24-L92 HydrophobicContact CE1-CG 4.37Å; Y24-L92 HydrophobicContact CE2-CD1 3.89Å
25	W	95.4	Very high	93.2	Very high	31 Å²	31	59.8 Å²	59.8	12%	0.117	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	141.5	159.7	-69.3	88.7	0	0	0	109.9	N42 D44 E49 H51 R90 Q91	W25-N42 HydrophobicContact CE3-CB 4.18Å; W25-N42 WeakPolarHBondContact CZ3-OD1 3.41Å; W25-D44 HydrophobicContact CD2-CB 4Å; W25-D44 HydrophobicContact CE3-CB 3.75Å; W25-D44 HydrophobicContact CH2-CB 3.69Å; W25-D44 HydrophobicContact CZ2-CB 3.93Å; W25-D44 HydrophobicContact CZ3-CB 3.6Å; W25-E49 HydrophobicContact CH2-CB 4.02Å; W25-E49 HydrophobicContact CH2-CG 4.02Å; W25-E49 HydrophobicContact CZ3-CB 4.41Å; W25-H51 AromaticContact CH2-CE1 3.74Å; W25-R90 VanDerWaalsContact O-CA 3.31Å; W25-R90 WeakPolarHBondContact O-CA 3.25Å; W25-Q91 HydrophobicContact CB-CB 4.4Å; W25-Q91 PolarHBondContact N-O 2.96Å; W25-Q91 PolarHBondContact O-N 2.79Å
26	M	96.9	Very high	92.8	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	112.6	170.8	-169.5	58.7	64.2	0	0	110	Y19 F21 N42 I43 A71 C88 A89 R90	Y19-M26 WeakPolarHBondContact OH-CE 3.24Å; F21-M26 HydrophobicContact CD2-CE 4.45Å; F21-M26 HydrophobicContact CE2-CE 3.9Å; M26-N42 CarbonylContact O-C 3.51Å; M26-N42 WeakPolarHBondContact O-CA 3.43Å; M26-N42 WeakPolarHBondContact O-CB 3.44Å; M26-I43 HydrophobicContact CB-CG2 4.1Å; M26-I43 PolarHBondContact N-O 3.12Å; M26-I43 PolarHBondContact O-N 3.36Å; M26-A71 HydrophobicContact CB-CB 4.06Å; M26-A71 HydrophobicContact CG-CB 3.55Å; M26-C88 HydrophobicContact SD-CB 3.85Å; M26-A89 VanDerWaalsContact SD-O 3.36Å; M26-R90 HydrophobicContact CE-CB 4.31Å
27	H	96.9	Very high	92.8	Very high	7 Å²	7	58.1 Å²	58.1	3%	0.032	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	147.3	179.2	-62.3	-108	0	0	0	110.4	W39 G41 N42 C88 A89 Q91 M99	H27-W39 AromaticContact CG-NE1 3.95Å; H27-W39 AromaticContact ND1-CD1 3.99Å; H27-W39 AromaticContact ND1-NE1 3.22Å; H27-W39 PolarHBondContact ND1-NE1 2.95Å; H27-G41 WeakPolarHBondContact CA-O 3.43Å; H27-N42 HydrophobicContact CB-CB 4.4Å; H27-N42 PolarHBondContact CE1-ND2 2.82Å; H27-C88 CarbonylContact O-C 3.5Å; H27-C88 WeakPolarHBondContact O-CA 3.44Å; H27-A89 PolarHBondContact N-O 2.99Å; H27-A89 PolarHBondContact O-N 3.18Å; H27-Q91 PolarHBondContact CE1-OE1 3.29Å; H27-Q91 WeakPolarHBondContact NE2-CB 3.46Å; H27-Q91 PolarHBondContact NE2-OE1 2.98Å; H27-M99 HydrophobicContact CB-CE 3.9Å; H27-M99 HydrophobicContact CB-SD 4.09Å
28	W	97.9	Very high	92.9	Very high	5 Å²	5	55.5 Å²	55.5	2%	0.019	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	133.5	170.1	-69.6	90.9	0	0	0	109.8	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.9Å; L12-W28 HydrophobicContact CB-CZ3 3.82Å; L12-W28 HydrophobicContact CD1-CZ3 4.39Å; C14-W28 HydrophobicContact CB-CH2 3.94Å; C14-W28 HydrophobicContact CB-CZ2 4.02Å; W28-I40 HydrophobicContact CB-CB 4.23Å; W28-I40 HydrophobicContact CB-CD1 4.37Å; W28-I40 WeakPolarHBondContact O-CB 3.17Å; W28-I40 PolarHBondContact O-N 2.86Å; W28-G41 PolarHBondContact N-O 2.68Å; W28-L62 VanDerWaalsContact CD1-CD2 3.48Å; W28-L62 HydrophobicContact CG-CD2 4.04Å; W28-A71 HydrophobicContact CZ2-CB 4.44Å; W28-M73 HydrophobicContact CB-SD 3.81Å; W28-M73 HydrophobicContact CD2-CB 3.57Å; W28-M73 HydrophobicContact CD2-CE 4.23Å; W28-M73 HydrophobicContact CD2-CG 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.07Å; W28-M73 HydrophobicContact CE3-CB 3.89Å; W28-M73 HydrophobicContact CE3-CE 3.71Å; W28-M73 HydrophobicContact CE3-SD 4.16Å; W28-M73 HydrophobicContact CG-CB 4.04Å; W28-M73 HydrophobicContact CG-SD 3.94Å; W28-M73 HydrophobicContact CH2-CB 4.12Å; W28-M73 HydrophobicContact CZ2-CB 3.84Å; W28-M73 HydrophobicContact CZ3-CB 4.14Å; W28-M73 HydrophobicContact CZ3-CE 4.24Å; W28-Y87 WeakPolarHBondContact CA-O 3.35Å; W28-C88 HydrophobicContact CD2-CB 4.5Å; W28-C88 HydrophobicContact CE3-CB 4.33Å; W28-C88 HydrophobicContact CH2-CB 4.42Å; W28-C88 HydrophobicContact CZ3-CB 4.3Å
29	V	97	Very high	93.1	Very high	5 Å²	5	55.2 Å²	55.2	3%	0.03	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	135.9	-175.2	-176.4	0	0	0	0	108	L37 E38 Y86 Y87 M99 W102	V29-L37 HydrophobicContact CG1-CB 3.89Å; V29-L37 HydrophobicContact CG1-CD2 3.79Å; V29-L37 HydrophobicContact CG1-CG 4.37Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-E38 WeakPolarHBondContact CG1-O 3.22Å; V29-Y86 WeakPolarHBondContact O-CA 3.21Å; V29-Y87 PolarHBondContact N-O 3.39Å; V29-Y87 PolarHBondContact O-N 2.79Å; V29-M99 HydrophobicContact CG2-CE 4.36Å; V29-M99 HydrophobicContact CG2-SD 4.27Å; V29-W102 HydrophobicContact CB-CH2 4.01Å; V29-W102 HydrophobicContact CB-CZ3 3.76Å; V29-W102 HydrophobicContact CG1-CH2 3.98Å; V29-W102 HydrophobicContact CG1-CZ3 3.96Å; V29-W102 HydrophobicContact CG2-CH2 3.7Å; V29-W102 HydrophobicContact CG2-CZ3 3.86Å
30	K	95.4	Very high	93.4	Very high	6 Å²	6	52.9 Å²	52.9	3%	0.026	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	145.2	169.5	66.1	178.6	-171.8	-179.2	0	110.4	E38 I40 L56 A84 V85 Y86	K30-E38 VanDerWaalsContact CE-CD 3.49Å; K30-E38 WeakPolarHBondContact CE-OE2 3.34Å; K30-E38 HydrophobicContact CG-CB 4.01Å; K30-E38 PolarHBondContact N-O 2.9Å; K30-E38 IonicContact NZ-OE2 3.14Å; K30-E38 PolarHBondContact NZ-OE2 2.93Å; K30-E38 PolarHBondContact O-N 3.06Å; K30-I40 HydrophobicContact CB-CD1 4.08Å; K30-I40 HydrophobicContact CG-CD1 4.36Å; K30-I40 HydrophobicContact CG-CG1 4.35Å; K30-L56 HydrophobicContact CD-CD1 4.47Å; K30-A84 HydrophobicContact CB-CB 4.14Å; K30-V85 CarbonylContact C-O 3.53Å; K30-V85 WeakPolarHBondContact CA-O 3.49Å; K30-Y86 HydrophobicContact CB-CD1 3.63Å; K30-Y86 HydrophobicContact CB-CE1 3.54Å; K30-Y86 HydrophobicContact CB-CG 4.38Å; K30-Y86 HydrophobicContact CD-CE1 4.23Å; K30-Y86 HydrophobicContact CG-CE1 4.45Å
31	Q	96.1	Very high	93.5	Very high	69 Å²	69	48.6 Å²	48.6	32%	0.322	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.6	173.8	-166.8	-177.5	21.8	0	0	109.5	G36 L37 A84 V85 Y87	Q31-G36 WeakPolarHBondContact CA-O 3.43Å; Q31-L37 HydrophobicContact CB-CD2 3.76Å; Q31-L37 HydrophobicContact CG-CD2 3.89Å; Q31-A84 WeakPolarHBondContact O-CA 3.49Å; Q31-A84 VanDerWaalsContact O-CB 3.32Å; Q31-A84 WeakPolarHBondContact O-CB 3.42Å; Q31-V85 PolarHBondContact N-O 2.88Å; Q31-V85 PolarHBondContact O-N 2.85Å; Q31-Y87 HydrophobicContact CB-CD2 4.3Å; Q31-Y87 HydrophobicContact CB-CE2 3.63Å; Q31-Y87 PolarHBondContact OE1-OH 3.38Å
32	R	93.1	Very high	93.6	Very high	47 Å²	47	48.9 Å²	48.9	18%	0.177	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	145.5	169.5	-72.4	175.9	177.1	171	2.4	109	I34 Q35 G36 E81 A84	R32-I34 PolarHBondContact O-N 2.86Å; R32-Q35 HydrophobicContact CB-CB 4.06Å; R32-Q35 PolarHBondContact O-N 2.79Å; R32-G36 PolarHBondContact N-O 2.9Å; R32-G36 PolarHBondContact O-N 2.89Å; R32-E81 PolarHBondContact NE-O 2.81Å; R32-E81 PolarHBondContact NH2-O 2.88Å; R32-A84 HydrophobicContact CG-CB 4.16Å
33	P	81.8	Confident	93.7	Very high	132 Å²	132	46.4 Å²	46.4	86%	0.857	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-25.3	-175.3	-29.3	35.2	0	0	0	115.6
34	I	85.1	Confident	93.8	Very high	165 Å²	165	44.2 Å²	44.2	85%	0.846	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-28.7	-176.5	-56.6	174.5	0	0	0	112.7	R32	R32-I34 PolarHBondContact O-N 2.86Å
35	Q	83.4	Confident	93.9	Very high	136 Å²	136	42.3 Å²	42.3	64%	0.636	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	1	-170.7	-74.3	164	-10.8	0	0	113.8	R32	R32-Q35 HydrophobicContact CB-CB 4.06Å; R32-Q35 PolarHBondContact O-N 2.79Å
36	G	89.2	Confident	93.9	Very high	34 Å²	34	42.8 Å²	42.8	35%	0.351	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	73.9	-157.2	178.2	0	0	0	0	0	113	Q31 R32	Q31-G36 WeakPolarHBondContact CA-O 3.43Å; R32-G36 PolarHBondContact N-O 2.9Å; R32-G36 PolarHBondContact O-N 2.89Å
37	L	93.8	Very high	93.9	Very high	100 Å²	100	47.2 Å²	47.2	52%	0.524	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	128	-178.6	-66.4	170.2	0	0	0	110.8	V29 Q31 Y87 W102	V29-L37 HydrophobicContact CG1-CB 3.89Å; V29-L37 HydrophobicContact CG1-CD2 3.79Å; V29-L37 HydrophobicContact CG1-CG 4.37Å; Q31-L37 HydrophobicContact CB-CD2 3.76Å; Q31-L37 HydrophobicContact CG-CD2 3.89Å; L37-Y87 HydrophobicContact CD2-CD2 4.43Å; L37-Y87 HydrophobicContact CD2-CE2 4.48Å; L37-W102 HydrophobicContact CD1-CH2 4.08Å; L37-W102 HydrophobicContact CD2-CZ3 4.28Å
38	E	94.8	Very high	93.8	Very high	51 Å²	51	49.7 Å²	49.7	24%	0.238	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.4	173.7	-174.6	174.8	-170.4	0	0	109.5	V29 K30 L56	V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-E38 WeakPolarHBondContact CG1-O 3.22Å; K30-E38 VanDerWaalsContact CE-CD 3.49Å; K30-E38 WeakPolarHBondContact CE-OE2 3.34Å; K30-E38 HydrophobicContact CG-CB 4.01Å; K30-E38 PolarHBondContact N-O 2.9Å; K30-E38 IonicContact NZ-OE2 3.14Å; K30-E38 PolarHBondContact NZ-OE2 2.93Å; K30-E38 PolarHBondContact O-N 3.06Å; E38-L56 HydrophobicContact CG-CD1 4.22Å
39	W	95.4	Very high	93.7	Very high	79 Å²	79	53.8 Å²	53.8	30%	0.299	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	131.8	176.5	-179.2	73.5	0	0	0	110.7	H27 G41 N42 H51 N53	H27-W39 AromaticContact CG-NE1 3.95Å; H27-W39 AromaticContact ND1-CD1 3.99Å; H27-W39 AromaticContact ND1-NE1 3.22Å; H27-W39 PolarHBondContact ND1-NE1 2.95Å; W39-G41 VanDerWaalsContact CE2-C 3.44Å; W39-G41 VanDerWaalsContact CE2-CA 3.49Å; W39-G41 PolarHBondContact NE1-O 2.83Å; W39-N42 HydrophobicContact CZ2-CB 4.05Å; W39-H51 HydrophobicContact CH2-CB 4.03Å; W39-N53 HydrophobicContact CE3-CB 3.95Å; W39-N53 HydrophobicContact CZ3-CB 4.16Å; W39-N53 VanDerWaalsContact O-CB 3.24Å; W39-N53 WeakPolarHBondContact O-CB 3.2Å; W39-N53 PolarHBondContact O-ND2 3.44Å
40	I	97	Very high	93.7	Very high	2 Å²	2	56 Å²	56	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-47.6	-177.4	-54	179.2	0	0	0	110.3	W28 K30 N53 L56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.23Å; W28-I40 HydrophobicContact CB-CD1 4.37Å; W28-I40 WeakPolarHBondContact O-CB 3.17Å; W28-I40 PolarHBondContact O-N 2.86Å; K30-I40 HydrophobicContact CB-CD1 4.08Å; K30-I40 HydrophobicContact CG-CD1 4.36Å; K30-I40 HydrophobicContact CG-CG1 4.35Å; I40-N53 WeakPolarHBondContact O-CB 3.32Å; I40-N53 PolarHBondContact O-N 2.9Å; I40-L56 HydrophobicContact CB-CD1 4.29Å; I40-L56 HydrophobicContact CG1-CD1 3.94Å; I40-L56 HydrophobicContact CG2-CB 4.13Å; I40-L56 HydrophobicContact CG2-CD1 4.32Å; I40-A60 HydrophobicContact CG2-CB 3.65Å; I40-M73 HydrophobicContact CD1-CE 3.93Å; I40-M73 HydrophobicContact CD1-SD 3.62Å; I40-M73 HydrophobicContact CG2-SD 4.03Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.75Å
41	G	97	Very high	93.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.1	177.5	-173.4	0	0	0	0	0	111.8	H27 W28 W39 H51	H27-G41 WeakPolarHBondContact CA-O 3.43Å; W28-G41 PolarHBondContact N-O 2.68Å; W39-G41 VanDerWaalsContact CE2-C 3.44Å; W39-G41 VanDerWaalsContact CE2-CA 3.49Å; W39-G41 PolarHBondContact NE1-O 2.83Å; G41-H51 CarbonylContact C-O 3.5Å; G41-H51 WeakPolarHBondContact CA-O 3.43Å
42	N	96.7	Very high	93.8	Very high	13 Å²	13	58.6 Å²	58.6	7%	0.07	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	163.6	170.4	66.6	19.6	0	0	0	110.9	W25 M26 H27 W39 T50 H51 L62	W25-N42 HydrophobicContact CE3-CB 4.18Å; W25-N42 WeakPolarHBondContact CZ3-OD1 3.41Å; M26-N42 CarbonylContact O-C 3.51Å; M26-N42 WeakPolarHBondContact O-CA 3.43Å; M26-N42 WeakPolarHBondContact O-CB 3.44Å; H27-N42 HydrophobicContact CB-CB 4.4Å; H27-N42 PolarHBondContact CE1-ND2 2.82Å; W39-N42 HydrophobicContact CZ2-CB 4.05Å; N42-T50 VanDerWaalsContact O-CA 3.32Å; N42-T50 WeakPolarHBondContact O-CA 3.47Å; N42-H51 PolarHBondContact N-O 3.03Å; N42-H51 PolarHBondContact O-N 2.91Å; N42-H51 VanDerWaalsContact O-N 3.08Å; N42-H51 VanDerWaalsContact OD1-CB 3.3Å; N42-H51 WeakPolarHBondContact OD1-CB 3.31Å; N42-H51 PolarHBondContact OD1-N 2.94Å; N42-L62 WeakPolarHBondContact O-CD1 3.11Å
43	I	97.5	Very high	93.9	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.015	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	134.3	173.3	-174.7	158.7	0	0	0	109.3	M26 P45 E49 T50 L62 V64	M26-I43 HydrophobicContact CB-CG2 4.1Å; M26-I43 PolarHBondContact N-O 3.12Å; M26-I43 PolarHBondContact O-N 3.36Å; I43-P45 WeakPolarHBondContact O-CD 3Å; I43-E49 CarbonylContact C-O 3.52Å; I43-E49 VanDerWaalsContact CA-O 3.25Å; I43-E49 WeakPolarHBondContact CA-O 3.44Å; I43-T50 HydrophobicContact CB-CG2 3.88Å; I43-T50 HydrophobicContact CD1-CG2 3.56Å; I43-T50 HydrophobicContact CG1-CG2 3.65Å; I43-L62 HydrophobicContact CB-CB 4.19Å; I43-L62 HydrophobicContact CB-CD1 4.5Å; I43-L62 HydrophobicContact CD1-CB 4.24Å; I43-L62 HydrophobicContact CG2-CB 4.44Å; I43-V64 HydrophobicContact CB-CG1 4.45Å; I43-V64 HydrophobicContact CD1-CB 4.42Å; I43-V64 HydrophobicContact CD1-CG1 3.82Å; I43-V64 HydrophobicContact CD1-CG2 4.07Å; I43-V64 HydrophobicContact CG1-CG1 3.91Å; I43-V64 HydrophobicContact CG1-CG2 4.5Å; I43-V64 HydrophobicContact CG2-CG1 3.7Å
44	D	96.1	Very high	94.4	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.011	31%	0.312	C	S	.	.			trans	-83.7	114.4	168.7	-169.2	-32.1	0	0	0	108.4	W25 S46 D47 S48 E49 R93	W25-D44 HydrophobicContact CD2-CB 4Å; W25-D44 HydrophobicContact CE3-CB 3.75Å; W25-D44 HydrophobicContact CH2-CB 3.69Å; W25-D44 HydrophobicContact CZ2-CB 3.93Å; W25-D44 HydrophobicContact CZ3-CB 3.6Å; D44-S46 PolarHBondContact O-N 2.81Å; D44-S46 WeakPolarHBondContact OD1-CA 2.98Å; D44-S46 WeakPolarHBondContact OD1-CB 3.41Å; D44-S46 PolarHBondContact OD1-N 2.95Å; D44-S46 PolarHBondContact OD1-OG 3.15Å; D44-S46 PolarHBondContact OD2-OG 2.79Å; D44-D47 WeakPolarHBondContact CB-OD1 2.94Å; D44-S48 WeakPolarHBondContact O-CA 3.44Å; D44-S48 PolarHBondContact O-N 3.49Å; D44-E49 HydrophobicContact CB-CB 4.36Å; D44-E49 PolarHBondContact N-O 3.08Å; D44-R93 VanDerWaalsContact OD2-CD 3.27Å; D44-R93 WeakPolarHBondContact OD2-CD 3.32Å
45	P	96.4	Very high	94.6	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.8	177.7	-18.2	32.9	0	0	0	114.3	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.71Å; F21-P45 HydrophobicContact CD1-CG 4.22Å; F21-P45 HydrophobicContact CD2-CB 4.44Å; F21-P45 HydrophobicContact CD2-CG 4.07Å; F21-P45 HydrophobicContact CE1-CB 3.44Å; F21-P45 VanDerWaalsContact CE1-CB 3.44Å; F21-P45 HydrophobicContact CE1-CG 3.86Å; F21-P45 HydrophobicContact CE2-CB 4.2Å; F21-P45 HydrophobicContact CE2-CG 3.67Å; F21-P45 HydrophobicContact CG-CB 4.23Å; F21-P45 HydrophobicContact CG-CG 4.35Å; F21-P45 HydrophobicContact CZ-CB 3.7Å; F21-P45 HydrophobicContact CZ-CG 3.56Å; Y24-P45 WeakPolarHBondContact O-CD 3.39Å; Y24-P45 WeakPolarHBondContact O-CG 3.47Å; I43-P45 WeakPolarHBondContact O-CD 3Å; P45-V64 HydrophobicContact CB-CG1 4.13Å; P45-V64 HydrophobicContact CG-CG1 4.25Å; P45-K66 VanDerWaalsContact O-CD 3.29Å; P45-K66 WeakPolarHBondContact O-CD 2.97Å; P45-K66 WeakPolarHBondContact O-CE 3.47Å; P45-K66 WeakPolarHBondContact O-CG 3.19Å
46	S	95.1	Very high	94.8	Very high	41 Å²	41	55 Å²	55	29%	0.287	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-41.1	-178.8	73.7	0	0	0	0	113	D44 K66	D44-S46 PolarHBondContact O-N 2.81Å; D44-S46 WeakPolarHBondContact OD1-CA 2.98Å; D44-S46 WeakPolarHBondContact OD1-CB 3.41Å; D44-S46 PolarHBondContact OD1-N 2.95Å; D44-S46 PolarHBondContact OD1-OG 3.15Å; D44-S46 PolarHBondContact OD2-OG 2.79Å; S46-K66 PolarHBondContact O-NZ 2.87Å
47	D	95.4	Very high	94.8	Very high	94 Å²	94	59.2 Å²	59.2	50%	0.503	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	0.9	-177.8	60.4	13.4	0	0	0	114.2	D44 E49	D44-D47 WeakPolarHBondContact CB-OD1 2.94Å; D47-E49 PolarHBondContact O-N 3.45Å; D47-E49 WeakPolarHBondContact OD1-CB 3.16Å; D47-E49 PolarHBondContact OD1-N 2.83Å
48	S	95.8	Very high	94.7	Very high	59 Å²	59	62 Å²	62	41%	0.413	30%	0.304	S	S	.	.			trans	65.8	21.2	-178	-51.4	0	0	0	0	114	D44 T50	D44-S48 WeakPolarHBondContact O-CA 3.44Å; D44-S48 PolarHBondContact O-N 3.49Å; S48-T50 PolarHBondContact O-N 2.78Å
49	E	96.4	Very high	94.6	Very high	91 Å²	91	62.3 Å²	62.3	43%	0.425	31%	0.305	S	S	.	.			trans	-59.3	136	168.8	-172.9	178.4	179.2	0	0	110	W25 I43 D44 D47 H51	W25-E49 HydrophobicContact CH2-CB 4.02Å; W25-E49 HydrophobicContact CH2-CG 4.02Å; W25-E49 HydrophobicContact CZ3-CB 4.41Å; I43-E49 CarbonylContact C-O 3.52Å; I43-E49 VanDerWaalsContact CA-O 3.25Å; I43-E49 WeakPolarHBondContact CA-O 3.44Å; D44-E49 HydrophobicContact CB-CB 4.36Å; D44-E49 PolarHBondContact N-O 3.08Å; D47-E49 PolarHBondContact O-N 3.45Å; D47-E49 WeakPolarHBondContact OD1-CB 3.16Å; D47-E49 PolarHBondContact OD1-N 2.83Å; E49-H51 IonicContact OE1-CD2 3.48Å; E49-H51 IonicContact OE1-CE1 2.83Å; E49-H51 IonicContact OE1-NE2 2.68Å; E49-H51 PolarHBondContact OE1-NE2 3.2Å
50	T	97.1	Very high	94.7	Very high	51 Å²	51	58.7 Å²	58.7	31%	0.313	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.8	-178.8	50.9	0	0	0	0	111.9	N42 I43 S48 L62	N42-T50 VanDerWaalsContact O-CA 3.32Å; N42-T50 WeakPolarHBondContact O-CA 3.47Å; I43-T50 HydrophobicContact CB-CG2 3.88Å; I43-T50 HydrophobicContact CD1-CG2 3.56Å; I43-T50 HydrophobicContact CG1-CG2 3.65Å; S48-T50 PolarHBondContact O-N 2.78Å; T50-L62 HydrophobicContact CG2-CB 4.13Å
51	H	96.1	Very high	94.7	Very high	76 Å²	76	62 Å²	62	35%	0.352	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	144.9	168.2	-52	150.6	0	0	0	109.9	W25 W39 G41 N42 E49	W25-H51 AromaticContact CH2-CE1 3.74Å; W39-H51 HydrophobicContact CH2-CB 4.03Å; G41-H51 CarbonylContact C-O 3.5Å; G41-H51 WeakPolarHBondContact CA-O 3.43Å; N42-H51 PolarHBondContact N-O 3.03Å; N42-H51 PolarHBondContact O-N 2.91Å; N42-H51 VanDerWaalsContact O-N 3.08Å; N42-H51 VanDerWaalsContact OD1-CB 3.3Å; N42-H51 WeakPolarHBondContact OD1-CB 3.31Å; N42-H51 PolarHBondContact OD1-N 2.94Å; E49-H51 IonicContact OE1-CD2 3.48Å; E49-H51 IonicContact OE1-CE1 2.83Å; E49-H51 IonicContact OE1-NE2 2.68Å; E49-H51 PolarHBondContact OE1-NE2 3.2Å
52	Y	96.9	Very high	94.8	Very high	54 Å²	54	62.4 Å²	62.4	21%	0.212	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.6	-177.7	-67.5	-89.9	0	0	0	111.1	Q54 K57 A60 L62	Y52-Q54 PolarHBondContact O-N 3.2Å; Y52-K57 HydrophobicContact CD1-CG 4.45Å; Y52-K57 HydrophobicContact CD2-CG 4.18Å; Y52-K57 HydrophobicContact CG-CB 4.23Å; Y52-K57 HydrophobicContact CG-CG 3.94Å; Y52-A60 VanDerWaalsContact CE1-O 3.28Å; Y52-A60 WeakPolarHBondContact CE1-O 3.31Å; Y52-L62 HydrophobicContact CE1-CD1 4.07Å; Y52-L62 HydrophobicContact CE1-CG 3.73Å; Y52-L62 PolarHBondContact OH-N 2.88Å
53	N	94.7	Very high	94.8	Very high	40 Å²	40	64.7 Å²	64.7	21%	0.214	33%	0.329	C	S	.	.			trans	-68.3	126.1	157.3	-178.8	-21.4	0	0	0	108.5	W39 I40 K55 L56 K57	W39-N53 HydrophobicContact CE3-CB 3.95Å; W39-N53 HydrophobicContact CZ3-CB 4.16Å; W39-N53 VanDerWaalsContact O-CB 3.24Å; W39-N53 WeakPolarHBondContact O-CB 3.2Å; W39-N53 PolarHBondContact O-ND2 3.44Å; I40-N53 WeakPolarHBondContact O-CB 3.32Å; I40-N53 PolarHBondContact O-N 2.9Å; N53-K55 PolarHBondContact O-N 2.93Å; N53-K55 PolarHBondContact OD1-N 2.59Å; N53-K55 VanDerWaalsContact OD1-N 3.08Å; N53-L56 PolarHBondContact O-N 3.42Å; N53-K57 PolarHBondContact O-N 2.93Å
54	Q	92.3	Very high	94.9	Very high	179 Å²	179	65.9 Å²	65.9	84%	0.836	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-32.8	-176.9	-69.7	-176.1	-16	0	0	113.1	Y52 L56	Y52-Q54 PolarHBondContact O-N 3.2Å; Q54-L56 VanDerWaalsContact C-N 3.27Å; Q54-L56 PolarHBondContact O-N 3.5Å
55	K	88.6	Confident	94.9	Very high	171 Å²	171	68.3 Å²	68.3	74%	0.743	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-21.2	179.6	-64.4	-176.8	-179.3	179	0	114.1	N53	N53-K55 PolarHBondContact O-N 2.93Å; N53-K55 PolarHBondContact OD1-N 2.59Å; N53-K55 VanDerWaalsContact OD1-N 3.08Å
56	L	87.8	Confident	94.8	Very high	14 Å²	14	73.1 Å²	73.1	7%	0.073	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-3.7	-170.5	-62.8	173.1	0	0	0	113.2	K30 E38 I40 N53 Q54 D58 K59 A60	K30-L56 HydrophobicContact CD-CD1 4.47Å; E38-L56 HydrophobicContact CG-CD1 4.22Å; I40-L56 HydrophobicContact CB-CD1 4.29Å; I40-L56 HydrophobicContact CG1-CD1 3.94Å; I40-L56 HydrophobicContact CG2-CB 4.13Å; I40-L56 HydrophobicContact CG2-CD1 4.32Å; N53-L56 PolarHBondContact O-N 3.42Å; Q54-L56 VanDerWaalsContact C-N 3.27Å; Q54-L56 PolarHBondContact O-N 3.5Å; L56-D58 VanDerWaalsContact C-N 3.26Å; L56-D58 PolarHBondContact O-N 3.2Å; L56-K59 PolarHBondContact O-N 3.36Å; L56-A60 PolarHBondContact O-N 3.04Å; L56-A60 VanDerWaalsContact O-N 3.08Å
57	K	89.6	Confident	94.8	Very high	124 Å²	124	76.5 Å²	76.5	54%	0.539	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-39.3	-179.8	-174.8	-178	177	-172.7	0	112.9	Y52 N53 K59	Y52-K57 HydrophobicContact CD1-CG 4.45Å; Y52-K57 HydrophobicContact CD2-CG 4.18Å; Y52-K57 HydrophobicContact CG-CB 4.23Å; Y52-K57 HydrophobicContact CG-CG 3.94Å; N53-K57 PolarHBondContact O-N 2.93Å; K57-K59 VanDerWaalsContact C-N 3.3Å; K57-K59 PolarHBondContact O-N 3.39Å
58	D	91.9	Very high	94.9	Very high	157 Å²	157	73.8 Å²	73.8	84%	0.84	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-13.9	-177.1	-58.2	-29.1	0	0	0	113.1	L56	L56-D58 VanDerWaalsContact C-N 3.26Å; L56-D58 PolarHBondContact O-N 3.2Å
59	K	93.1	Very high	95	Very high	59 Å²	59	72.9 Å²	72.9	26%	0.257	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-30.1	178.9	-74.3	-159.3	175.5	-166.3	0	113.5	L56 K57 L75 S76 D82	L56-K59 PolarHBondContact O-N 3.36Å; K57-K59 VanDerWaalsContact C-N 3.3Å; K57-K59 PolarHBondContact O-N 3.39Å; K59-L75 WeakPolarHBondContact O-CA 3.21Å; K59-S76 PolarHBondContact O-N 3.22Å; K59-D82 IonicContact NZ-OD1 3.95Å; K59-D82 PolarHBondContact NZ-OD1 2.84Å; K59-D82 IonicContact NZ-OD2 2.92Å; K59-D82 PolarHBondContact NZ-OD2 3Å
60	A	96.4	Very high	95	Very high	3 Å²	3	68.9 Å²	68.9	3%	0.025	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.4	-171.1	0	0	0	0	0	111.7	I40 Y52 L56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.65Å; Y52-A60 VanDerWaalsContact CE1-O 3.28Å; Y52-A60 WeakPolarHBondContact CE1-O 3.31Å; L56-A60 PolarHBondContact O-N 3.04Å; L56-A60 VanDerWaalsContact O-N 3.08Å; A60-M73 HydrophobicContact CB-CG 4.33Å; A60-M73 HydrophobicContact CB-SD 4.3Å; A60-Q74 CarbonylContact C-O 3.55Å; A60-Q74 WeakPolarHBondContact CA-O 3.28Å; A60-L75 HydrophobicContact CB-CD2 3.95Å
61	T	97.6	Very high	95.1	Very high	70 Å²	70	66.5 Å²	66.5	43%	0.429	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121.9	169.1	-57.5	0	0	0	0	109.2	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.41Å; T61-M73 WeakPolarHBondContact O-CA 3.32Å; T61-Q74 PolarHBondContact N-O 2.93Å; T61-Q74 PolarHBondContact O-N 2.86Å
62	L	98.3	Very high	95.2	Very high	9 Å²	9	65.3 Å²	65.3	5%	0.047	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	133.9	179.6	-53.6	-174.3	0	0	0	110.5	W28 N42 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.48Å; W28-L62 HydrophobicContact CG-CD2 4.04Å; N42-L62 WeakPolarHBondContact O-CD1 3.11Å; I43-L62 HydrophobicContact CB-CB 4.19Å; I43-L62 HydrophobicContact CB-CD1 4.5Å; I43-L62 HydrophobicContact CD1-CB 4.24Å; I43-L62 HydrophobicContact CG2-CB 4.44Å; T50-L62 HydrophobicContact CG2-CB 4.13Å; Y52-L62 HydrophobicContact CE1-CD1 4.07Å; Y52-L62 HydrophobicContact CE1-CG 3.73Å; Y52-L62 PolarHBondContact OH-N 2.88Å; L62-Y72 WeakPolarHBondContact CA-O 3.3Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.62Å; L62-M73 HydrophobicContact CD2-SD 4.16Å
63	T	98.2	Very high	95.2	Very high	61 Å²	61	62.8 Å²	62.8	37%	0.374	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	161.7	176.4	56.6	0	0	0	0	110.7	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.41Å; T63-Y72 PolarHBondContact N-O 2.99Å; T63-Y72 PolarHBondContact O-N 2.75Å
64	V	97.9	Very high	95.4	Very high	28 Å²	28	64.8 Å²	64.8	17%	0.17	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	145	177.3	-73.1	0	0	0	0	110.6	F21 I43 P45 T70 A71	F21-V64 HydrophobicContact CE1-CG1 4.46Å; F21-V64 HydrophobicContact CZ-CG1 4.16Å; I43-V64 HydrophobicContact CB-CG1 4.45Å; I43-V64 HydrophobicContact CD1-CB 4.42Å; I43-V64 HydrophobicContact CD1-CG1 3.82Å; I43-V64 HydrophobicContact CD1-CG2 4.07Å; I43-V64 HydrophobicContact CG1-CG1 3.91Å; I43-V64 HydrophobicContact CG1-CG2 4.5Å; I43-V64 HydrophobicContact CG2-CG1 3.7Å; P45-V64 HydrophobicContact CB-CG1 4.13Å; P45-V64 HydrophobicContact CG-CG1 4.25Å; V64-T70 WeakPolarHBondContact CA-O 3.36Å; V64-A71 HydrophobicContact CG1-CB 4.14Å
65	D	97.2	Very high	95.6	Very high	53 Å²	53	56.7 Å²	56.7	28%	0.283	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	107.5	164.9	174.2	7.5	0	0	0	108.4	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 3.38Å; D65-S67 WeakPolarHBondContact OD1-CB 3.39Å; D65-S67 PolarHBondContact OD1-N 2.78Å; D65-S67 PolarHBondContact OD1-OG 2.85Å; D65-S67 PolarHBondContact OD2-OG 3.04Å; D65-S68 WeakPolarHBondContact CB-OG 3.44Å; D65-S68 PolarHBondContact OD1-N 3.07Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.15Å; D65-S68 PolarHBondContact OD2-OG 3.07Å; D65-S69 WeakPolarHBondContact O-CA 3.35Å; D65-S69 PolarHBondContact O-N 3.47Å; D65-T70 PolarHBondContact N-O 2.92Å; D65-T70 PolarHBondContact O-N 3.14Å; D65-Y72 HydrophobicContact CB-CE2 3.93Å
66	K	95.2	Very high	95.9	Very high	102 Å²	102	50.3 Å²	50.3	44%	0.443	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-31.4	-178.1	-54.5	-175.4	-161.6	-174.3	0	111.7	P45 S46 S69	P45-K66 VanDerWaalsContact O-CD 3.29Å; P45-K66 WeakPolarHBondContact O-CD 2.97Å; P45-K66 WeakPolarHBondContact O-CE 3.47Å; P45-K66 WeakPolarHBondContact O-CG 3.19Å; S46-K66 PolarHBondContact O-NZ 2.87Å; K66-S69 PolarHBondContact O-N 3.26Å
67	S	94.7	Very high	96.3	Very high	111 Å²	111	53.6 Å²	53.6	78%	0.776	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-40.7	-176.7	73.3	0	0	0	0	111.7	D65	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 3.38Å; D65-S67 WeakPolarHBondContact OD1-CB 3.39Å; D65-S67 PolarHBondContact OD1-N 2.78Å; D65-S67 PolarHBondContact OD1-OG 2.85Å; D65-S67 PolarHBondContact OD2-OG 3.04Å
68	S	96.8	Very high	96.6	Very high	38 Å²	38	47.8 Å²	47.8	27%	0.266	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-1.6	176	67	0	0	0	0	113.6	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.44Å; D65-S68 PolarHBondContact OD1-N 3.07Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.15Å; D65-S68 PolarHBondContact OD2-OG 3.07Å; S68-T70 VanDerWaalsContact C-N 3.28Å; S68-T70 PolarHBondContact O-N 3.08Å; S68-T70 PolarHBondContact O-OG1 2.03Å; S68-T70 WeakPolarHBondContact OG-CB 3.37Å; S68-T70 PolarHBondContact OG-OG1 3Å; S68-T70 VanDerWaalsContact OG-OG1 3.07Å
69	S	97.3	Very high	96.7	Very high	40 Å²	40	43 Å²	43	28%	0.28	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	45.4	-173	-63.3	0	0	0	0	112.7	A16 F21 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.41Å; A16-S69 PolarHBondContact N-O 3.3Å; F21-S69 VanDerWaalsContact CD1-CA 3.47Å; D65-S69 WeakPolarHBondContact O-CA 3.35Å; D65-S69 PolarHBondContact O-N 3.47Å; K66-S69 PolarHBondContact O-N 3.26Å
70	T	98.2	Very high	96.7	Very high	7 Å²	7	44.1 Å²	44.1	4%	0.043	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130	-174.9	-51.7	0	0	0	0	110.8	C14 K15 V64 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.43Å; K15-T70 HydrophobicContact CB-CG2 4.4Å; V64-T70 WeakPolarHBondContact CA-O 3.36Å; D65-T70 PolarHBondContact N-O 2.92Å; D65-T70 PolarHBondContact O-N 3.14Å; S68-T70 VanDerWaalsContact C-N 3.28Å; S68-T70 PolarHBondContact O-N 3.08Å; S68-T70 PolarHBondContact O-OG1 2.03Å; S68-T70 WeakPolarHBondContact OG-CB 3.37Å; S68-T70 PolarHBondContact OG-OG1 3Å; S68-T70 VanDerWaalsContact OG-OG1 3.07Å; T70-Y72 HydrophobicContact CG2-CD1 4.26Å; T70-Y72 HydrophobicContact CG2-CD2 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.66Å; T70-Y72 HydrophobicContact CG2-CE2 3.74Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.23Å
71	A	98.1	Very high	96.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	148.5	166.4	0	0	0	0	0	110.1	S13 C14 F21 M26 W28 V64	S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.42Å; C14-A71 PolarHBondContact N-O 3.11Å; C14-A71 PolarHBondContact O-N 3.11Å; F21-A71 HydrophobicContact CE2-CB 4.47Å; F21-A71 HydrophobicContact CZ-CB 4.08Å; M26-A71 HydrophobicContact CB-CB 4.06Å; M26-A71 HydrophobicContact CG-CB 3.55Å; W28-A71 HydrophobicContact CZ2-CB 4.44Å; V64-A71 HydrophobicContact CG1-CB 4.14Å
72	Y	98.3	Very high	96.3	Very high	52 Å²	52	47.2 Å²	47.2	20%	0.204	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	147	177.8	-55.8	-88.8	0	0	0	110.9	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.4Å; K11-Y72 VanDerWaalsContact CE-CD1 3.47Å; K11-Y72 HydrophobicContact CG-CD1 4.38Å; L12-Y72 WeakPolarHBondContact O-CA 3.46Å; S13-Y72 VanDerWaalsContact CB-CD1 3.47Å; S13-Y72 VanDerWaalsContact CB-CE1 3.44Å; L62-Y72 WeakPolarHBondContact CA-O 3.3Å; T63-Y72 PolarHBondContact N-O 2.99Å; T63-Y72 PolarHBondContact O-N 2.75Å; D65-Y72 HydrophobicContact CB-CE2 3.93Å; T70-Y72 HydrophobicContact CG2-CD1 4.26Å; T70-Y72 HydrophobicContact CG2-CD2 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.66Å; T70-Y72 HydrophobicContact CG2-CE2 3.74Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.23Å
73	M	98.1	Very high	96.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	121.4	166.6	177.2	178	68.6	0	0	108.4	L12 W28 I40 A60 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.74Å; L12-M73 PolarHBondContact N-O 2.85Å; L12-M73 PolarHBondContact O-N 2.82Å; W28-M73 HydrophobicContact CB-SD 3.81Å; W28-M73 HydrophobicContact CD2-CB 3.57Å; W28-M73 HydrophobicContact CD2-CE 4.23Å; W28-M73 HydrophobicContact CD2-CG 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.07Å; W28-M73 HydrophobicContact CE3-CB 3.89Å; W28-M73 HydrophobicContact CE3-CE 3.71Å; W28-M73 HydrophobicContact CE3-SD 4.16Å; W28-M73 HydrophobicContact CG-CB 4.04Å; W28-M73 HydrophobicContact CG-SD 3.94Å; W28-M73 HydrophobicContact CH2-CB 4.12Å; W28-M73 HydrophobicContact CZ2-CB 3.84Å; W28-M73 HydrophobicContact CZ3-CB 4.14Å; W28-M73 HydrophobicContact CZ3-CE 4.24Å; I40-M73 HydrophobicContact CD1-CE 3.93Å; I40-M73 HydrophobicContact CD1-SD 3.62Å; I40-M73 HydrophobicContact CG2-SD 4.03Å; A60-M73 HydrophobicContact CB-CG 4.33Å; A60-M73 HydrophobicContact CB-SD 4.3Å; T61-M73 WeakPolarHBondContact O-CA 3.32Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.62Å; L62-M73 HydrophobicContact CD2-SD 4.16Å; M73-L75 HydrophobicContact CE-CD1 3.83Å; M73-L75 HydrophobicContact CE-CD2 4.06Å; M73-L75 HydrophobicContact CE-CG 3.92Å; M73-L75 HydrophobicContact CG-CD2 4.29Å; M73-L75 HydrophobicContact CG-CG 4.31Å; M73-L75 HydrophobicContact SD-CD2 3.97Å; M73-L75 HydrophobicContact SD-CG 4.34Å; M73-Y86 HydrophobicContact CE-CD1 3.56Å; M73-Y86 HydrophobicContact CE-CE1 4.05Å; M73-Y86 HydrophobicContact CE-CG 4.26Å
74	Q	97.6	Very high	96.1	Very high	82 Å²	82	46 Å²	46	38%	0.383	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.9	169.4	-175.5	162.4	5.4	0	0	109	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.38Å; V10-Q74 WeakPolarHBondContact O-CA 3.3Å; A60-Q74 CarbonylContact C-O 3.55Å; A60-Q74 WeakPolarHBondContact CA-O 3.28Å; T61-Q74 PolarHBondContact N-O 2.93Å; T61-Q74 PolarHBondContact O-N 2.86Å
75	L	96.6	Very high	96.1	Very high	9 Å²	9	46.6 Å²	46.6	5%	0.047	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134.3	171.3	-60.9	163.8	0	0	0	108.4	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.55Å; S9-L75 WeakPolarHBondContact CA-O 3.46Å; S9-L75 VanDerWaalsContact CB-O 3.23Å; S9-L75 WeakPolarHBondContact CB-O 3.25Å; V10-L75 HydrophobicContact CG1-CB 3.84Å; V10-L75 HydrophobicContact CG1-CD1 3.93Å; V10-L75 HydrophobicContact CG1-CG 4.33Å; V10-L75 PolarHBondContact N-O 2.71Å; V10-L75 PolarHBondContact O-N 3.45Å; K59-L75 WeakPolarHBondContact O-CA 3.21Å; A60-L75 HydrophobicContact CB-CD2 3.95Å; M73-L75 HydrophobicContact CE-CD1 3.83Å; M73-L75 HydrophobicContact CE-CD2 4.06Å; M73-L75 HydrophobicContact CE-CG 3.92Å; M73-L75 HydrophobicContact CG-CD2 4.29Å; M73-L75 HydrophobicContact CG-CG 4.31Å; M73-L75 HydrophobicContact SD-CD2 3.97Å; M73-L75 HydrophobicContact SD-CG 4.34Å; L75-L78 HydrophobicContact CB-CD2 3.76Å; L75-L78 HydrophobicContact CB-CG 4.48Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; L75-Y86 HydrophobicContact CD1-CD1 4.13Å; L75-Y86 HydrophobicContact CD1-CE1 3.5Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.5Å; L75-Y86 HydrophobicContact CD1-CE2 4.09Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.47Å; L75-Y86 HydrophobicContact CD2-CE1 4.43Å
76	S	96	Very high	96.1	Very high	37 Å²	37	44.3 Å²	44.3	26%	0.259	26%	0.259	S	S	.	.			trans	-121.6	154.8	-177.6	-64.4	0	0	0	0	112.3	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.41Å; S9-S76 PolarHBondContact OG-OG 3Å; K59-S76 PolarHBondContact O-N 3.22Å; S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 3.35Å
77	S	95.1	Very high	96.2	Very high	83 Å²	83	41.4 Å²	41.4	58%	0.58	25%	0.246	S	C	*	.	S	Bend	trans	54.6	47.7	176.6	-55.2	0	0	0	0	112.4	S8	S8-S77 PolarHBondContact O-N 3.38Å
78	L	95.2	Very high	96.4	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.016	21%	0.214	C	C	.	.			trans	-62.1	138.7	-173.6	-71.9	175.6	0	0	0	112.5	V4 P6 G7 S8 V10 L75 S76 D82 V108 V110	V4-L78 HydrophobicContact CG2-CD1 3.54Å; P6-L78 CarbonylContact C-O 3.46Å; P6-L78 WeakPolarHBondContact CA-O 3.32Å; G7-L78 PolarHBondContact N-O 3.2Å; S8-L78 WeakPolarHBondContact O-CB 3.41Å; S8-L78 WeakPolarHBondContact O-CG 3.49Å; S8-L78 PolarHBondContact O-N 3.23Å; V10-L78 HydrophobicContact CB-CD1 4.27Å; V10-L78 HydrophobicContact CG1-CD1 3.77Å; L75-L78 HydrophobicContact CB-CD2 3.76Å; L75-L78 HydrophobicContact CB-CG 4.48Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 3.35Å; L78-D82 WeakPolarHBondContact CA-OD2 3.41Å; L78-D82 HydrophobicContact CD2-CB 3.65Å; L78-V108 HydrophobicContact CD1-CG1 4.39Å; L78-V110 HydrophobicContact CB-CG1 4.21Å; L78-V110 HydrophobicContact CB-CG2 3.95Å; L78-V110 HydrophobicContact CD1-CG2 4.14Å
79	T	95.1	Very high	96.3	Very high	55 Å²	55	35.1 Å²	35.1	34%	0.337	20%	0.202	S	C	.	.			trans	-116	168.5	171.9	67.6	0	0	0	0	110.6	E81 D82 V110	T79-E81 PolarHBondContact O-N 3.36Å; T79-E81 VanDerWaalsContact O-N 3.11Å; T79-D82 PolarHBondContact N-OD2 3.29Å; T79-D82 WeakPolarHBondContact O-CB 3.43Å; T79-D82 PolarHBondContact O-N 3.06Å; T79-D82 PolarHBondContact OG1-OD2 3.29Å; T79-V110 WeakPolarHBondContact O-CB 3.31Å; T79-V110 WeakPolarHBondContact O-CG2 3.4Å
80	S	93.9	Very high	96.2	Very high	84 Å²	84	35.5 Å²	35.5	59%	0.587	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-53.2	-32.7	176.3	51.3	0	0	0	0	112.8	D82 S83	S80-D82 PolarHBondContact O-N 3.21Å; S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 3.42Å; S80-S83 PolarHBondContact O-N 2.96Å; S80-S83 VanDerWaalsContact O-N 3.11Å; S80-S83 PolarHBondContact O-OG 2.86Å
81	E	91.7	Very high	95.9	Very high	133 Å²	133	37.2 Å²	37.2	62%	0.621	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-66.3	-20.1	176.6	-59.7	-176.3	176.6	0	0	114	R32 T79 S83	R32-E81 PolarHBondContact NE-O 2.81Å; R32-E81 PolarHBondContact NH2-O 2.88Å; T79-E81 PolarHBondContact O-N 3.36Å; T79-E81 VanDerWaalsContact O-N 3.11Å; E81-S83 PolarHBondContact O-N 2.91Å
82	D	93.6	Very high	95.5	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.027	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-81.1	-2	175.9	-59.1	-45.5	0	0	0	111.9	K59 L78 T79 S80 A84 Y86 V110	K59-D82 IonicContact NZ-OD1 3.95Å; K59-D82 PolarHBondContact NZ-OD1 2.84Å; K59-D82 IonicContact NZ-OD2 2.92Å; K59-D82 PolarHBondContact NZ-OD2 3Å; L78-D82 WeakPolarHBondContact CA-OD2 3.41Å; L78-D82 HydrophobicContact CD2-CB 3.65Å; T79-D82 PolarHBondContact N-OD2 3.29Å; T79-D82 WeakPolarHBondContact O-CB 3.43Å; T79-D82 PolarHBondContact O-N 3.06Å; T79-D82 PolarHBondContact OG1-OD2 3.29Å; S80-D82 PolarHBondContact O-N 3.21Å; D82-A84 PolarHBondContact O-N 3.08Å; D82-A84 VanDerWaalsContact O-N 3.12Å; D82-Y86 WeakPolarHBondContact O-CE2 3.42Å; D82-Y86 PolarHBondContact O-OH 2.86Å; D82-V110 HydrophobicContact CB-CG2 4.47Å
83	S	95.6	Very high	94.8	Very high	36 Å²	36	43.3 Å²	43.3	25%	0.252	23%	0.231	S	C	.	.			trans	-63.9	114.7	173.1	-57.1	0	0	0	0	110.7	S80 E81 V108 V110	S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 3.42Å; S80-S83 PolarHBondContact O-N 2.96Å; S80-S83 VanDerWaalsContact O-N 3.11Å; S80-S83 PolarHBondContact O-OG 2.86Å; E81-S83 PolarHBondContact O-N 2.91Å; S83-V108 VanDerWaalsContact CA-O 3.3Å; S83-V108 WeakPolarHBondContact CA-O 3.46Å; S83-V110 PolarHBondContact OG-N 3.41Å
84	A	96.4	Very high	93.9	Very high	7 Å²	7	49.9 Å²	49.9	6%	0.058	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	168.8	-172.8	0	0	0	0	0	111.1	K30 Q31 R32 D82 Y86 V108	K30-A84 HydrophobicContact CB-CB 4.14Å; Q31-A84 WeakPolarHBondContact O-CA 3.49Å; Q31-A84 VanDerWaalsContact O-CB 3.32Å; Q31-A84 WeakPolarHBondContact O-CB 3.42Å; R32-A84 HydrophobicContact CG-CB 4.16Å; D82-A84 PolarHBondContact O-N 3.08Å; D82-A84 VanDerWaalsContact O-N 3.12Å; A84-Y86 HydrophobicContact CB-CD2 4.31Å; A84-Y86 HydrophobicContact CB-CE2 3.83Å; A84-V108 PolarHBondContact N-O 2.66Å; A84-V108 PolarHBondContact O-N 2.76Å
85	V	97.6	Very high	92.7	Very high	41 Å²	41	53 Å²	53	25%	0.248	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	126.1	162	-172	0	0	0	0	108.5	K30 Q31 Y87	K30-V85 CarbonylContact C-O 3.53Å; K30-V85 WeakPolarHBondContact CA-O 3.49Å; Q31-V85 PolarHBondContact N-O 2.88Å; Q31-V85 PolarHBondContact O-N 2.85Å; V85-Y87 HydrophobicContact CB-CE2 3.78Å; V85-Y87 HydrophobicContact CG1-CD2 4.27Å; V85-Y87 HydrophobicContact CG1-CE1 3.92Å; V85-Y87 HydrophobicContact CG1-CE2 3.55Å; V85-Y87 WeakPolarHBondContact CG1-OH 2.86Å
86	Y	97.7	Very high	91.2	Very high	5 Å²	5	63.7 Å²	63.7	2%	0.02	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.9	-179.4	-70.7	-90.9	0	0	0	110.4	L12 V29 K30 I40 M73 L75 D82 A84 G105 T106 V108	L12-Y86 VanDerWaalsContact CD1-CB 3.44Å; L12-Y86 HydrophobicContact CD1-CD1 4.35Å; L12-Y86 HydrophobicContact CD1-CD2 4.19Å; L12-Y86 HydrophobicContact CD1-CG 3.75Å; V29-Y86 WeakPolarHBondContact O-CA 3.21Å; K30-Y86 HydrophobicContact CB-CD1 3.63Å; K30-Y86 HydrophobicContact CB-CE1 3.54Å; K30-Y86 HydrophobicContact CB-CG 4.38Å; K30-Y86 HydrophobicContact CD-CE1 4.23Å; K30-Y86 HydrophobicContact CG-CE1 4.45Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.75Å; M73-Y86 HydrophobicContact CE-CD1 3.56Å; M73-Y86 HydrophobicContact CE-CE1 4.05Å; M73-Y86 HydrophobicContact CE-CG 4.26Å; L75-Y86 HydrophobicContact CD1-CD1 4.13Å; L75-Y86 HydrophobicContact CD1-CE1 3.5Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.5Å; L75-Y86 HydrophobicContact CD1-CE2 4.09Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.47Å; L75-Y86 HydrophobicContact CD2-CE1 4.43Å; D82-Y86 WeakPolarHBondContact O-CE2 3.42Å; D82-Y86 PolarHBondContact O-OH 2.86Å; A84-Y86 HydrophobicContact CB-CD2 4.31Å; A84-Y86 HydrophobicContact CB-CE2 3.83Å; Y86-G105 CarbonylContact O-C 3.56Å; Y86-G105 WeakPolarHBondContact O-CA 3.49Å; Y86-T106 PolarHBondContact N-O 3.47Å; Y86-T106 PolarHBondContact O-N 3.28Å; Y86-V108 HydrophobicContact CD2-CB 3.93Å; Y86-V108 HydrophobicContact CD2-CG2 3.73Å; Y86-V108 HydrophobicContact CE2-CB 3.8Å; Y86-V108 HydrophobicContact CE2-CG2 4.02Å
87	Y	97.6	Very high	89.7	Confident	42 Å²	42	69.9 Å²	69.9	17%	0.165	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	146.1	-178.9	-57.7	-89.7	0	0	0	110.2	W28 V29 Q31 L37 V85 W102 G103	W28-Y87 WeakPolarHBondContact CA-O 3.35Å; V29-Y87 PolarHBondContact N-O 3.39Å; V29-Y87 PolarHBondContact O-N 2.79Å; Q31-Y87 HydrophobicContact CB-CD2 4.3Å; Q31-Y87 HydrophobicContact CB-CE2 3.63Å; Q31-Y87 PolarHBondContact OE1-OH 3.38Å; L37-Y87 HydrophobicContact CD2-CD2 4.43Å; L37-Y87 HydrophobicContact CD2-CE2 4.48Å; V85-Y87 HydrophobicContact CB-CE2 3.78Å; V85-Y87 HydrophobicContact CG1-CD2 4.27Å; V85-Y87 HydrophobicContact CG1-CE1 3.92Å; V85-Y87 HydrophobicContact CG1-CE2 3.55Å; V85-Y87 WeakPolarHBondContact CG1-OH 2.86Å; Y87-W102 HydrophobicContact CG-CE3 4.13Å; Y87-W102 HydrophobicContact CG-CZ3 4.35Å; Y87-G103 WeakPolarHBondContact CD1-O 3.44Å
88	C	97.2	Very high	88.7	Confident	15 Å²	15	70 Å²	70	10%	0.101	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	148.4	157.4	61.2	0	0	0	0	109.5	C14 M26 H27 W28 G103	C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.34Å; C14-C88 WeakPolarHBondContact SG-CB 3.45Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.21Å; M26-C88 HydrophobicContact SD-CB 3.85Å; H27-C88 CarbonylContact O-C 3.5Å; H27-C88 WeakPolarHBondContact O-CA 3.44Å; W28-C88 HydrophobicContact CD2-CB 4.5Å; W28-C88 HydrophobicContact CE3-CB 4.33Å; W28-C88 HydrophobicContact CH2-CB 4.42Å; W28-C88 HydrophobicContact CZ3-CB 4.3Å; C88-G103 PolarHBondContact O-N 2.96Å
89	A	96.1	Very high	88.2	Confident	2 Å²	2	72.2 Å²	72.2	2%	0.017	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	148.8	174.6	0	0	0	0	0	110.2	M26 H27 M99 Y101 W102	M26-A89 VanDerWaalsContact SD-O 3.36Å; H27-A89 PolarHBondContact N-O 2.99Å; H27-A89 PolarHBondContact O-N 3.18Å; A89-M99 HydrophobicContact CB-CB 3.98Å; A89-M99 HydrophobicContact CB-CG 4.18Å; A89-M99 HydrophobicContact CB-SD 3.74Å; A89-Y101 CarbonylContact C-O 3.5Å; A89-Y101 WeakPolarHBondContact CA-O 3.43Å; A89-Y101 WeakPolarHBondContact CB-O 3.49Å; A89-W102 HydrophobicContact CB-CD2 3.62Å; A89-W102 HydrophobicContact CB-CE3 3.98Å; A89-W102 HydrophobicContact CB-CG 3.93Å; A89-W102 HydrophobicContact CB-CZ2 4.2Å; A89-W102 HydrophobicContact CB-CZ3 4.41Å
90	R	93.8	Very high	87.7	Confident	48 Å²	48	73.5 Å²	73.5	18%	0.181	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	153.3	179.3	80.6	-173.8	-175.9	-165.7	-6.5	111.5	Y19 Y24 W25 M26 M99 D100 Y101	Y19-R90 VanDerWaalsContact CE1-NH1 3.32Å; Y24-R90 HydrophobicContact CD1-CB 4.03Å; Y24-R90 HydrophobicContact CD1-CG 3.74Å; Y24-R90 HydrophobicContact CE1-CG 4.19Å; Y24-R90 HydrophobicContact CG-CB 4.38Å; Y24-R90 HydrophobicContact CG-CG 4.46Å; W25-R90 VanDerWaalsContact O-CA 3.31Å; W25-R90 WeakPolarHBondContact O-CA 3.25Å; M26-R90 HydrophobicContact CE-CB 4.31Å; R90-M99 WeakPolarHBondContact O-CA 3.17Å; R90-D100 WeakPolarHBondContact CG-OD1 3.14Å; R90-D100 IonicContact CZ-OD2 2.76Å; R90-D100 IonicContact NE-OD1 2.95Å; R90-D100 IonicContact NE-OD2 3.79Å; R90-D100 PolarHBondContact NE-OD2 3.15Å; R90-D100 IonicContact NH2-OD2 3.61Å; R90-D100 PolarHBondContact NH2-OD2 2.61Å; R90-D100 VanDerWaalsContact NH2-OD2 3.14Å; R90-D100 PolarHBondContact O-N 3.1Å; R90-Y101 PolarHBondContact N-O 3.4Å
91	Q	92.6	Very high	87.6	Confident	42 Å²	42	75.8 Å²	75.8	20%	0.196	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	128.3	170.6	-178.4	-168.6	-32.8	0	0	109.5	Y24 W25 H27 R93	Y24-Q91 CarbonylContact C-O 3.53Å; Y24-Q91 WeakPolarHBondContact CA-O 3.27Å; Y24-Q91 WeakPolarHBondContact CB-O 3.08Å; W25-Q91 HydrophobicContact CB-CB 4.4Å; W25-Q91 PolarHBondContact N-O 2.96Å; W25-Q91 PolarHBondContact O-N 2.79Å; H27-Q91 PolarHBondContact CE1-OE1 3.29Å; H27-Q91 WeakPolarHBondContact NE2-CB 3.46Å; H27-Q91 PolarHBondContact NE2-OE1 2.98Å; Q91-R93 PolarHBondContact O-N 2.65Å
92	L	90.4	Very high	87.7	Confident	49 Å²	49	73.5 Å²	73.5	26%	0.257	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	127.6	179.9	-173.8	71.8	0	0	0	111.3	Y24 L94 R95	Y24-L92 VanDerWaalsContact CD1-CA 3.5Å; Y24-L92 HydrophobicContact CD1-CB 4.07Å; Y24-L92 HydrophobicContact CD1-CD1 4.21Å; Y24-L92 HydrophobicContact CD2-CD1 4.39Å; Y24-L92 HydrophobicContact CE1-CB 3.81Å; Y24-L92 HydrophobicContact CE1-CD1 3.69Å; Y24-L92 HydrophobicContact CE1-CG 4.37Å; Y24-L92 HydrophobicContact CE2-CD1 3.89Å; L92-L94 VanDerWaalsContact C-N 3.29Å; L92-L94 PolarHBondContact O-N 2.82Å; L92-R95 HydrophobicContact CD2-CB 4.17Å; L92-R95 HydrophobicContact CD2-CG 3.84Å; L92-R95 PolarHBondContact O-N 2.86Å
93	R	82.6	Confident	87.8	Confident	131 Å²	131	74.2 Å²	74.2	49%	0.494	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-35.8	-174.5	-163.8	-177.8	79.7	99.5	2.3	114	S23 D44 Q91	S23-R93 WeakPolarHBondContact O-CB 3.47Å; S23-R93 PolarHBondContact O-N 3.44Å; D44-R93 VanDerWaalsContact OD2-CD 3.27Å; D44-R93 WeakPolarHBondContact OD2-CD 3.32Å; Q91-R93 PolarHBondContact O-N 2.65Å
94	L	79.6	Confident	87.8	Confident	138 Å²	138	80.9 Å²	80.9	72%	0.723	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	0	-174.8	-62.1	177.1	0	0	0	114.1	L92	L92-L94 VanDerWaalsContact C-N 3.29Å; L92-L94 PolarHBondContact O-N 2.82Å
95	R	73.1	Confident	87.8	Confident	149 Å²	149	81.9 Å²	81.9	56%	0.562	39%	0.385	S	S	*	.			trans	-133.1	125.6	-180	-68.2	-175.5	178.1	-146.2	0.3	110.4	L92 Y97	L92-R95 HydrophobicContact CD2-CB 4.17Å; L92-R95 HydrophobicContact CD2-CG 3.84Å; L92-R95 PolarHBondContact O-N 2.86Å; R95-Y97 HydrophobicContact CB-CD2 3.66Å; R95-Y97 HydrophobicContact CB-CE2 4.19Å; R95-Y97 HydrophobicContact CG-CD2 4.21Å; R95-Y97 HydrophobicContact CG-CE2 4.32Å; R95-Y97 PolarHBondContact O-N 3.47Å
96	Y	64.3	Low	87.8	Confident	232 Å²	232	82.4 Å²	82.4	91%	0.91	39%	0.388	S	S	*	.			trans	-75.9	36.6	175.6	-61.4	-82.3	0	0	0	113.3
97	Y	65.1	Low	87.8	Confident	167 Å²	167	84.5 Å²	84.5	66%	0.655	40%	0.403	S	S	*	.			trans	-88.8	170.6	176.1	-69.6	-62.7	0	0	0	111.9	R95	R95-Y97 HydrophobicContact CB-CD2 3.66Å; R95-Y97 HydrophobicContact CB-CE2 4.19Å; R95-Y97 HydrophobicContact CG-CD2 4.21Å; R95-Y97 HydrophobicContact CG-CE2 4.32Å; R95-Y97 PolarHBondContact O-N 3.47Å
98	A	72.7	Confident	87.7	Confident	85 Å²	85	82.5 Å²	82.5	70%	0.702	40%	0.396	S	S	*	.			trans	-60.5	161.1	175.6	0	0	0	0	0	113.3	D100	A98-D100 PolarHBondContact O-N 3.07Å
99	M	85.2	Confident	87.7	Confident	50 Å²	50	84.5 Å²	84.5	25%	0.246	41%	0.408	C	S	.	.			trans	-57.5	107.1	174.4	-61.9	174.6	-163.8	0	0	110.4	H27 V29 A89 R90 W102	H27-M99 HydrophobicContact CB-CE 3.9Å; H27-M99 HydrophobicContact CB-SD 4.09Å; V29-M99 HydrophobicContact CG2-CE 4.36Å; V29-M99 HydrophobicContact CG2-SD 4.27Å; A89-M99 HydrophobicContact CB-CB 3.98Å; A89-M99 HydrophobicContact CB-CG 4.18Å; A89-M99 HydrophobicContact CB-SD 3.74Å; R90-M99 WeakPolarHBondContact O-CA 3.17Å; M99-W102 HydrophobicContact CB-CZ2 4.13Å; M99-W102 HydrophobicContact CG-CZ2 4.42Å; M99-W102 PolarHBondContact O-NE1 2.81Å; M99-W102 HydrophobicContact SD-CH2 3.86Å; M99-W102 HydrophobicContact SD-CZ2 3.42Å; M99-W102 WeakPolarHBondContact SD-CZ2 3.43Å
100	D	85.3	Confident	87.7	Confident	83 Å²	83	84.7 Å²	84.7	44%	0.444	41%	0.408	S	S	.	.			trans	-83.1	-23.1	-166.8	60.9	-67.7	0	0	0	113.7	R90 A98	R90-D100 WeakPolarHBondContact CG-OD1 3.14Å; R90-D100 IonicContact CZ-OD2 2.76Å; R90-D100 IonicContact NE-OD1 2.95Å; R90-D100 IonicContact NE-OD2 3.79Å; R90-D100 PolarHBondContact NE-OD2 3.15Å; R90-D100 IonicContact NH2-OD2 3.61Å; R90-D100 PolarHBondContact NH2-OD2 2.61Å; R90-D100 VanDerWaalsContact NH2-OD2 3.14Å; R90-D100 PolarHBondContact O-N 3.1Å; A98-D100 PolarHBondContact O-N 3.07Å
101	Y	91.2	Very high	87.7	Confident	132 Å²	132	85 Å²	85	52%	0.518	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	138.7	178.7	-172.8	-90.7	0	0	0	111.3	A89 R90	A89-Y101 CarbonylContact C-O 3.5Å; A89-Y101 WeakPolarHBondContact CA-O 3.43Å; A89-Y101 WeakPolarHBondContact CB-O 3.49Å; R90-Y101 PolarHBondContact N-O 3.4Å
102	W	95.1	Very high	87.3	Confident	84 Å²	84	90.3 Å²	90.3	32%	0.318	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.2	-178.7	-69.6	69	0	0	0	110.5	V29 L37 Y87 A89 M99	V29-W102 HydrophobicContact CB-CH2 4.01Å; V29-W102 HydrophobicContact CB-CZ3 3.76Å; V29-W102 HydrophobicContact CG1-CH2 3.98Å; V29-W102 HydrophobicContact CG1-CZ3 3.96Å; V29-W102 HydrophobicContact CG2-CH2 3.7Å; V29-W102 HydrophobicContact CG2-CZ3 3.86Å; L37-W102 HydrophobicContact CD1-CH2 4.08Å; L37-W102 HydrophobicContact CD2-CZ3 4.28Å; Y87-W102 HydrophobicContact CG-CE3 4.13Å; Y87-W102 HydrophobicContact CG-CZ3 4.35Å; A89-W102 HydrophobicContact CB-CD2 3.62Å; A89-W102 HydrophobicContact CB-CE3 3.98Å; A89-W102 HydrophobicContact CB-CG 3.93Å; A89-W102 HydrophobicContact CB-CZ2 4.2Å; A89-W102 HydrophobicContact CB-CZ3 4.41Å; M99-W102 HydrophobicContact CB-CZ2 4.13Å; M99-W102 HydrophobicContact CG-CZ2 4.42Å; M99-W102 PolarHBondContact O-NE1 2.81Å; M99-W102 HydrophobicContact SD-CH2 3.86Å; M99-W102 HydrophobicContact SD-CZ2 3.42Å; M99-W102 WeakPolarHBondContact SD-CZ2 3.43Å
103	G	95.5	Very high	87.2	Confident	21 Å²	21	92.4 Å²	92.4	22%	0.216	47%	0.47	C	S	.	.			trans	-67	165.6	167.3	0	0	0	0	0	111.6	Y87 C88 G105	Y87-G103 WeakPolarHBondContact CD1-O 3.44Å; C88-G103 PolarHBondContact O-N 2.96Å; G103-G105 PolarHBondContact O-N 3.05Å; G103-G105 VanDerWaalsContact O-N 3.15Å
104	Q	95.6	Very high	87.4	Confident	176 Å²	176	90.4 Å²	90.4	82%	0.822	47%	0.469	S	S	*	.			trans	-65.7	-16.4	179.9	-64.5	-60.7	-44.2	0	0	113.8
105	G	96.1	Very high	87.8	Confident	28 Å²	28	87.7 Å²	87.7	29%	0.289	46%	0.455	S	S	.	.			trans	83.9	150.8	-176.6	0	0	0	0	0	113.2	Y86 G103	Y86-G105 CarbonylContact O-C 3.56Å; Y86-G105 WeakPolarHBondContact O-CA 3.49Å; G103-G105 PolarHBondContact O-N 3.05Å; G103-G105 VanDerWaalsContact O-N 3.15Å
106	T	96.9	Very high	88.7	Confident	52 Å²	52	84.1 Å²	84.1	32%	0.319	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	119.8	175	-66.8	0	0	0	0	108.9	L12 Y86 V108	L12-T106 HydrophobicContact CD2-CG2 3.99Å; Y86-T106 PolarHBondContact N-O 3.47Å; Y86-T106 PolarHBondContact O-N 3.28Å; T106-V108 PolarHBondContact O-N 2.75Å
107	S	97	Very high	90.2	Very high	48 Å²	48	74.9 Å²	74.9	34%	0.336	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	125.3	171.2	-168	0	0	0	0	110	A1 E2	A1-S107 CarbonylContact C-O 3.58Å; A1-S107 WeakPolarHBondContact CA-O 3Å; E2-S107 PolarHBondContact N-O 3.17Å
108	V	96.6	Very high	91.9	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.9	168.1	177.9	0	0	0	0	107.2	E2 V4 V10 L12 L78 S83 A84 Y86 T106 V110	E2-V108 HydrophobicContact CB-CG2 4.49Å; E2-V108 CarbonylContact O-C 3.4Å; E2-V108 WeakPolarHBondContact O-CA 3.49Å; V4-V108 HydrophobicContact CG2-CG1 4.24Å; V10-V108 HydrophobicContact CG1-CG1 4.44Å; L12-V108 HydrophobicContact CD1-CG2 4.26Å; L12-V108 HydrophobicContact CD2-CG2 4.02Å; L78-V108 HydrophobicContact CD1-CG1 4.39Å; S83-V108 VanDerWaalsContact CA-O 3.3Å; S83-V108 WeakPolarHBondContact CA-O 3.46Å; A84-V108 PolarHBondContact N-O 2.66Å; A84-V108 PolarHBondContact O-N 2.76Å; Y86-V108 HydrophobicContact CD2-CB 3.93Å; Y86-V108 HydrophobicContact CD2-CG2 3.73Å; Y86-V108 HydrophobicContact CE2-CB 3.8Å; Y86-V108 HydrophobicContact CE2-CG2 4.02Å; T106-V108 PolarHBondContact O-N 2.75Å; V108-V110 HydrophobicContact CG1-CG2 4.4Å
109	T	96.7	Very high	93.3	Very high	58 Å²	58	67.6 Å²	67.6	36%	0.356	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.8	179	-52.7	0	0	0	0	108.6	E2 L3 V4	E2-T109 PolarHBondContact O-N 3.43Å; L3-T109 WeakPolarHBondContact CA-O 3.35Å; L3-T109 HydrophobicContact CD1-CG2 3.92Å; V4-T109 PolarHBondContact N-O 2.63Å
110	V	95.8	Very high	93.9	Very high	5 Å²	5	68.9 Å²	68.9	3%	0.03	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	106.6	-179.6	-170.3	0	0	0	0	108.5	V4 P6 L78 T79 D82 S83 V108	V4-V110 HydrophobicContact CG2-CB 4.37Å; V4-V110 HydrophobicContact CG2-CG1 4.41Å; V4-V110 HydrophobicContact CG2-CG2 3.81Å; V4-V110 WeakPolarHBondContact O-CA 3.29Å; P6-V110 HydrophobicContact CB-CG1 4.42Å; P6-V110 HydrophobicContact CG-CG1 4.17Å; L78-V110 HydrophobicContact CB-CG1 4.21Å; L78-V110 HydrophobicContact CB-CG2 3.95Å; L78-V110 HydrophobicContact CD1-CG2 4.14Å; T79-V110 WeakPolarHBondContact O-CB 3.31Å; T79-V110 WeakPolarHBondContact O-CG2 3.4Å; D82-V110 HydrophobicContact CB-CG2 4.47Å; S83-V110 PolarHBondContact OG-N 3.41Å; V108-V110 HydrophobicContact CG1-CG2 4.4Å
111	S	93.8	Very high	94.6	Very high	54 Å²	54	67.8 Å²	67.8	38%	0.378	39%	0.389	S	S	.	.			trans	-143	151	-179.7	68.1	0	0	0	0	111.6	L3 V4	L3-S111 WeakPolarHBondContact CD1-OG 2.69Å; V4-S111 PolarHBondContact O-N 2.94Å
112	S	85.2	Confident	94.9	Very high	155 Å²	155	61.9 Å²	61.9	100%	1.084	38%	0.377	S	S	*	.			trans	-73.3	0	173.3	57.3	0	0	0	0	112.1

Retrieved 112 of 112 residues in 23.9 ms (Link to these results)

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