X5J514_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J514, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 115 aa.

						>X5J514_MOUSE|X5J514
PGLAKPSQTLSLTCSVTGYSITSDYWNWIRKFPGNKLEYMGYISYSGSTYYNPSLKSRISITRDTSKNQYYLQLNSVTTEDTATYYCARWLAWDYYAMDYWGQGTSVTVSSESQS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	P	59.2	Low	84.8	Confident	155 Å²	155	73.9 Å²	73.9	100%	1.006	45%	0.449	S	S	*	.				0	120	0	-21.1	33.7	0	0	0	109.7	S106	P1-S106 CarbonylContact C-O 3.58Å; P1-S106 WeakPolarHBondContact CA-O 2.85Å
2	G	76.4	Confident	85.8	Confident	31 Å²	31	68.8 Å²	68.8	32%	0.32	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	136.9	175.6	0	0	0	0	0	110.5	S106 V107 T108	G2-S106 PolarHBondContact N-O 3.38Å; G2-V107 CarbonylContact O-C 3.5Å; G2-V107 VanDerWaalsContact O-CA 3.3Å; G2-V107 WeakPolarHBondContact O-CA 3.47Å; G2-T108 PolarHBondContact O-N 2.81Å
3	L	79.3	Confident	86.7	Confident	95 Å²	95	68.7 Å²	68.7	50%	0.497	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125	171.9	-175.3	64.8	0	0	0	108.3	T108 Q114	L3-T108 WeakPolarHBondContact CA-O 3.35Å; L3-T108 HydrophobicContact CD1-CG2 4.32Å; L3-Q114 HydrophobicContact CD2-CG 4.1Å
4	A	81.4	Confident	87.3	Confident	10 Å²	10	64.3 Å²	64.3	8%	0.083	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148	177.7	0	0	0	0	0	110.6	V77 T108 V109 S110	A4-V77 HydrophobicContact CB-CG2 4.31Å; A4-T108 PolarHBondContact N-O 2.58Å; A4-V109 HydrophobicContact CB-CG2 4.34Å; A4-V109 WeakPolarHBondContact O-CA 3.47Å; A4-S110 PolarHBondContact O-N 2.97Å
5	K	83.6	Confident	87.9	Confident	105 Å²	105	64.3 Å²	64.3	46%	0.457	39%	0.394	S	S	.	.			trans	-88.6	152.2	171.2	-64.3	-178	179.4	-180	0	109.8	Q8 V77	K5-Q8 HydrophobicContact CB-CG 4.16Å; K5-Q8 WeakPolarHBondContact O-CB 3.38Å; K5-Q8 WeakPolarHBondContact O-CG 3.4Å; K5-Q8 PolarHBondContact O-N 3.03Å; K5-V77 WeakPolarHBondContact O-CG2 3.42Å
6	P	88.2	Confident	88.2	Confident	49 Å²	49	60.9 Å²	60.9	32%	0.318	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	151.5	173.3	-27.2	34.4	0	0	0	112.7	Q8 V77 V109 S110	P6-Q8 PolarHBondContact O-N 3.32Å; P6-Q8 VanDerWaalsContact O-N 3.1Å; P6-V77 CarbonylContact C-O 3.59Å; P6-V77 VanDerWaalsContact CA-O 3.32Å; P6-V77 WeakPolarHBondContact CA-O 3.42Å; P6-V109 HydrophobicContact CG-CG1 4.24Å; P6-S110 VanDerWaalsContact CD-O 3.29Å; P6-S110 WeakPolarHBondContact CD-O 3.38Å
7	S	89.1	Confident	88.4	Confident	101 Å²	101	63.6 Å²	63.6	71%	0.706	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	-2.2	-178.9	-52.6	0	0	0	0	115.6	V77	S7-V77 PolarHBondContact N-O 2.91Å
8	Q	90.9	Very high	88.4	Confident	96 Å²	96	64.6 Å²	64.6	45%	0.449	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-76.5	166.2	172.5	-65.1	-172.4	-40.9	0	0	111.8	K5 P6 S76 V77	K5-Q8 HydrophobicContact CB-CG 4.16Å; K5-Q8 WeakPolarHBondContact O-CB 3.38Å; K5-Q8 WeakPolarHBondContact O-CG 3.4Å; K5-Q8 PolarHBondContact O-N 3.03Å; P6-Q8 PolarHBondContact O-N 3.32Å; P6-Q8 VanDerWaalsContact O-N 3.1Å; Q8-S76 PolarHBondContact O-N 3.19Å; Q8-V77 HydrophobicContact CB-CG2 4.49Å; Q8-V77 WeakPolarHBondContact O-CG2 3.1Å; Q8-V77 PolarHBondContact O-N 2.92Å
9	T	94.3	Very high	88.3	Confident	73 Å²	73	67 Å²	67	45%	0.448	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-94.6	122.9	168.9	-66.6	0	0	0	0	109.3	Q73 L74 N75	T9-Q73 HydrophobicContact CG2-CG 3.29Å; T9-L74 WeakPolarHBondContact CA-O 3.05Å; T9-N75 WeakPolarHBondContact CG2-OD1 3.25Å; T9-N75 PolarHBondContact OG1-OD1 3.42Å
10	L	94.7	Very high	88.5	Confident	18 Å²	18	66 Å²	66	9%	0.094	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	130.2	169	173.6	66.1	0	0	0	109	L12 Q73 L74 V77 Y85 V107	L10-L12 HydrophobicContact CD1-CD2 4.05Å; L10-L12 HydrophobicContact CD1-CG 4.22Å; L10-L12 HydrophobicContact CD2-CD1 4.07Å; L10-L12 HydrophobicContact CD2-CG 4.24Å; L10-L12 HydrophobicContact CG-CD1 4.42Å; L10-L12 HydrophobicContact CG-CD2 4.43Å; L10-L12 HydrophobicContact CG-CG 4.05Å; L10-Q73 CarbonylContact O-C 3.56Å; L10-Q73 WeakPolarHBondContact O-CA 3.45Å; L10-L74 HydrophobicContact CB-CB 4.39Å; L10-L74 PolarHBondContact N-O 2.83Å; L10-L74 PolarHBondContact O-N 2.9Å; L10-V77 HydrophobicContact CB-CG1 3.74Å; L10-Y85 HydrophobicContact CD2-CE1 4.49Å; L10-Y85 HydrophobicContact CD2-CE2 4.16Å; L10-V107 HydrophobicContact CD1-CG1 4.06Å; L10-V107 HydrophobicContact CD1-CG2 4.1Å; L10-V107 HydrophobicContact CD2-CB 4.41Å; L10-V107 HydrophobicContact CD2-CG1 4Å; L10-V107 HydrophobicContact CD2-CG2 4.15Å
11	S	95.7	Very high	88.7	Confident	80 Å²	80	62.9 Å²	62.9	56%	0.559	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120	124.3	172.5	-170.6	0	0	0	0	109.4	L72	S11-L72 CarbonylContact C-O 3.52Å; S11-L72 WeakPolarHBondContact CA-O 3.29Å
12	L	96.9	Very high	90.3	Very high	12 Å²	12	58.7 Å²	58.7	6%	0.063	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.3	179.4	-65.3	174.5	0	0	0	109.9	L10 W28 Y71 L72 Y85 T105 V107	L10-L12 HydrophobicContact CD1-CD2 4.05Å; L10-L12 HydrophobicContact CD1-CG 4.22Å; L10-L12 HydrophobicContact CD2-CD1 4.07Å; L10-L12 HydrophobicContact CD2-CG 4.24Å; L10-L12 HydrophobicContact CG-CD1 4.42Å; L10-L12 HydrophobicContact CG-CD2 4.43Å; L10-L12 HydrophobicContact CG-CG 4.05Å; L12-W28 HydrophobicContact CB-CH2 3.65Å; L12-W28 HydrophobicContact CB-CZ2 4.28Å; L12-W28 HydrophobicContact CB-CZ3 4.04Å; L12-W28 HydrophobicContact CD1-CZ3 4.14Å; L12-Y71 CarbonylContact O-C 3.6Å; L12-Y71 WeakPolarHBondContact O-CA 3.43Å; L12-L72 HydrophobicContact CB-CB 4.39Å; L12-L72 HydrophobicContact CD1-CD2 4.24Å; L12-L72 PolarHBondContact N-O 2.98Å; L12-L72 PolarHBondContact O-N 3.37Å; L12-Y85 VanDerWaalsContact CD1-CB 3.41Å; L12-Y85 HydrophobicContact CD1-CD1 3.65Å; L12-Y85 HydrophobicContact CD1-CD2 4Å; L12-Y85 HydrophobicContact CD1-CE1 4.41Å; L12-Y85 HydrophobicContact CD1-CG 3.4Å; L12-Y85 VanDerWaalsContact CD1-CG 3.4Å; L12-T105 HydrophobicContact CD2-CG2 3.93Å; L12-V107 HydrophobicContact CD2-CG2 4.19Å
13	T	97.2	Very high	90.8	Very high	68 Å²	68	60.2 Å²	60.2	42%	0.417	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.5	177.4	-57.9	0	0	0	0	109	Q69 Y71	T13-Q69 HydrophobicContact CG2-CB 4.42Å; T13-Q69 HydrophobicContact CG2-CG 4.12Å; T13-Y71 HydrophobicContact CG2-CD1 3.82Å; T13-Y71 HydrophobicContact CG2-CE1 3.52Å; T13-Y71 WeakPolarHBondContact OG1-CD1 3.35Å
14	C	96	Very high	91.3	Very high	7 Å²	7	56.1 Å²	56.1	5%	0.047	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122.5	161.7	-171.8	0	0	0	0	109.6	W28 Q69 Y70 C87	C14-W28 HydrophobicContact CB-CH2 4.08Å; C14-W28 HydrophobicContact CB-CZ2 4.04Å; C14-Q69 WeakPolarHBondContact O-CA 3.42Å; C14-Y70 HydrophobicContact CB-CD1 3.92Å; C14-Y70 HydrophobicContact CB-CE1 3.5Å; C14-Y70 VanDerWaalsContact CB-CE1 3.5Å; C14-Y70 HydrophobicContact CB-CE2 4.42Å; C14-Y70 PolarHBondContact N-O 2.84Å; C14-Y70 PolarHBondContact O-N 2.95Å; C14-C87 HydrophobicContact CB-CB 3.43Å; C14-C87 VanDerWaalsContact CB-CB 3.43Å; C14-C87 WeakPolarHBondContact CB-SG 3.49Å; C14-C87 WeakPolarHBondContact SG-CB 3.2Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 2.84Å
15	S	95.7	Very high	91.8	Very high	64 Å²	64	56.9 Å²	56.9	45%	0.448	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	123.1	172.9	-56.8	0	0	0	0	108.7	Q69	S15-Q69 WeakPolarHBondContact OG-CG 3.29Å; S15-Q69 PolarHBondContact OG-NE2 2.87Å
16	V	93.1	Very high	92.3	Very high	10 Å²	10	52 Å²	52	6%	0.061	33%	0.327	C	S	.	.			trans	-93.4	133.1	-178.4	178.6	0	0	0	0	109.4	Y19 I21 W26 N68 Y70	V16-Y19 WeakPolarHBondContact CG1-O 3.46Å; V16-I21 HydrophobicContact CB-CG2 3.88Å; V16-I21 HydrophobicContact CG2-CG2 3.56Å; V16-W26 HydrophobicContact CB-CH2 4.35Å; V16-W26 HydrophobicContact CB-CZ3 4.39Å; V16-W26 HydrophobicContact CG1-CH2 3.48Å; V16-W26 VanDerWaalsContact CG1-CH2 3.48Å; V16-W26 HydrophobicContact CG1-CZ2 4.22Å; V16-W26 HydrophobicContact CG1-CZ3 3.85Å; V16-W26 HydrophobicContact CG2-CD2 4.47Å; V16-W26 HydrophobicContact CG2-CE3 3.87Å; V16-W26 HydrophobicContact CG2-CH2 3.96Å; V16-W26 HydrophobicContact CG2-CZ3 3.58Å; V16-N68 PolarHBondContact N-O 3.08Å; V16-N68 PolarHBondContact O-ND2 3.48Å; V16-Y70 HydrophobicContact CG2-CD1 4.18Å; V16-Y70 HydrophobicContact CG2-CE1 3.98Å
17	T	90.8	Very high	92.6	Very high	108 Å²	108	49.7 Å²	49.7	66%	0.663	31%	0.312	S	S	*	.			trans	-122.3	144.3	174.8	53.4	0	0	0	0	109.3	Y19	T17-Y19 PolarHBondContact O-N 3.19Å; T17-Y19 VanDerWaalsContact O-N 3.16Å
18	G	88.4	Confident	93	Very high	80 Å²	80	45 Å²	45	83%	0.825	28%	0.279	S	S	*	.	S	Bend	trans	77	-10.9	-179.5	0	0	0	0	0	116
19	Y	87.4	Confident	93.3	Very high	111 Å²	111	40.8 Å²	40.8	44%	0.435	26%	0.26	S	S	.	.	S	Bend	trans	-136.8	162.5	177.6	-58.1	-74.4	0	0	0	111.2	V16 T17 N68	V16-Y19 WeakPolarHBondContact CG1-O 3.46Å; T17-Y19 PolarHBondContact O-N 3.19Å; T17-Y19 VanDerWaalsContact O-N 3.16Å; Y19-N68 PolarHBondContact O-ND2 3.23Å
20	S	91.2	Very high	93.4	Very high	46 Å²	46	37.9 Å²	37.9	32%	0.322	24%	0.24	S	C	.	.			trans	-100.9	134.1	173.2	-178.9	0	0	0	0	111.4	T22 S23 W26 N68	S20-T22 PolarHBondContact O-N 3.48Å; S20-T22 PolarHBondContact OG-N 2.95Å; S20-T22 PolarHBondContact OG-OG1 3.29Å; S20-S23 PolarHBondContact O-N 2.99Å; S20-W26 WeakPolarHBondContact O-CZ2 3.44Å; S20-N68 WeakPolarHBondContact CA-OD1 3.38Å
21	I	92.5	Very high	93.5	Very high	1 Å²	1	40 Å²	40	1%	0.005	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-9.6	175.2	67.8	171.1	0	0	0	114	V16 W26 R63 T65 N68 Q69 Y70	V16-I21 HydrophobicContact CB-CG2 3.88Å; V16-I21 HydrophobicContact CG2-CG2 3.56Å; I21-W26 HydrophobicContact CG2-CD2 4.28Å; I21-W26 HydrophobicContact CG2-CZ2 4.31Å; I21-W26 PolarHBondContact O-NE1 2.95Å; I21-R63 HydrophobicContact CD1-CB 3.97Å; I21-T65 HydrophobicContact CD1-CG2 4.18Å; I21-T65 HydrophobicContact CG1-CG2 4.3Å; I21-N68 WeakPolarHBondContact CG2-OD1 3.29Å; I21-N68 PolarHBondContact N-OD1 2.84Å; I21-Q69 WeakPolarHBondContact CD1-O 3.37Å; I21-Y70 HydrophobicContact CG2-CD1 4.43Å
22	T	92.8	Very high	93.6	Very high	67 Å²	67	38 Å²	38	41%	0.411	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	14.1	178.1	67.2	0	0	0	0	113.3	S20 Y45 T65	S20-T22 PolarHBondContact O-N 3.48Å; S20-T22 PolarHBondContact OG-N 2.95Å; S20-T22 PolarHBondContact OG-OG1 3.29Å; T22-Y45 VanDerWaalsContact C-CB 3.45Å; T22-Y45 WeakPolarHBondContact O-CB 3.41Å; T22-T65 HydrophobicContact CG2-CG2 3.49Å; T22-T65 VanDerWaalsContact CG2-CG2 3.49Å
23	S	87.8	Confident	93.3	Very high	63 Å²	63	42.5 Å²	42.5	44%	0.441	26%	0.26	S	S	.	.	S	Bend	trans	-113.2	-23.4	-178.5	-60.8	0	0	0	0	113.9	S20	S20-S23 PolarHBondContact O-N 2.99Å
24	D	89.5	Confident	93.1	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.053	28%	0.276	C	S	.	.	S	Bend	trans	-142.1	-175.2	-165.5	-72.5	-50.9	0	0	0	112.7	W26 S44 Y45 R89 W90 A92	D24-W26 HydrophobicContact CB-CZ2 4.21Å; D24-W26 PolarHBondContact O-NE1 3.19Å; D24-S44 CarbonylContact O-C 3.48Å; D24-Y45 PolarHBondContact O-N 2.88Å; D24-R89 HydrophobicContact CB-CG 3.87Å; D24-R89 WeakPolarHBondContact OD2-CD 3.48Å; D24-R89 IonicContact OD2-CZ 2.7Å; D24-R89 IonicContact OD2-NE 3.68Å; D24-R89 IonicContact OD2-NH1 2.7Å; D24-R89 PolarHBondContact OD2-NH1 2.93Å; D24-W90 WeakPolarHBondContact CB-O 3.43Å; D24-A92 PolarHBondContact OD1-N 3.37Å
25	Y	92.3	Very high	92.9	Very high	26 Å²	26	47.8 Å²	47.8	10%	0.102	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.1	172	-65.5	-103.4	0	0	0	110.1	N27 Y42 Y45 R89 W90 A92 Y95	Y25-N27 PolarHBondContact O-ND2 3.36Å; Y25-Y42 HydrophobicContact CD1-CD1 4.42Å; Y25-Y42 AromaticContact CD1-CD2 3.76Å; Y25-Y42 HydrophobicContact CD1-CD2 3.76Å; Y25-Y42 HydrophobicContact CD1-CE1 4.39Å; Y25-Y42 AromaticContact CD1-CE2 3.68Å; Y25-Y42 HydrophobicContact CD1-CE2 3.68Å; Y25-Y42 HydrophobicContact CD1-CG 4.2Å; Y25-Y42 HydrophobicContact CE1-CD2 4.42Å; Y25-Y42 AromaticContact CE1-CE2 3.89Å; Y25-Y42 HydrophobicContact CE1-CE2 3.89Å; Y25-Y45 HydrophobicContact CE2-CD1 4.33Å; Y25-Y45 HydrophobicContact CE2-CE1 4.3Å; Y25-R89 WeakPolarHBondContact O-CA 3.47Å; Y25-W90 PolarHBondContact N-O 3.35Å; Y25-W90 PolarHBondContact O-N 2.82Å; Y25-A92 HydrophobicContact CD2-CB 3.95Å; Y25-A92 HydrophobicContact CE2-CB 3.59Å; Y25-Y95 HydrophobicContact CE2-CE1 4.27Å; Y25-Y95 PolarHBondContact OH-OH 3.05Å
26	W	94.3	Very high	92.8	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.008	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	116.5	-175	-60.6	92.3	0	0	0	110.2	V16 S20 I21 D24 Y42 I43 Y70 R89	V16-W26 HydrophobicContact CB-CH2 4.35Å; V16-W26 HydrophobicContact CB-CZ3 4.39Å; V16-W26 HydrophobicContact CG1-CH2 3.48Å; V16-W26 VanDerWaalsContact CG1-CH2 3.48Å; V16-W26 HydrophobicContact CG1-CZ2 4.22Å; V16-W26 HydrophobicContact CG1-CZ3 3.85Å; V16-W26 HydrophobicContact CG2-CD2 4.47Å; V16-W26 HydrophobicContact CG2-CE3 3.87Å; V16-W26 HydrophobicContact CG2-CH2 3.96Å; V16-W26 HydrophobicContact CG2-CZ3 3.58Å; S20-W26 WeakPolarHBondContact O-CZ2 3.44Å; I21-W26 HydrophobicContact CG2-CD2 4.28Å; I21-W26 HydrophobicContact CG2-CZ2 4.31Å; I21-W26 PolarHBondContact O-NE1 2.95Å; D24-W26 HydrophobicContact CB-CZ2 4.21Å; D24-W26 PolarHBondContact O-NE1 3.19Å; W26-Y42 CarbonylContact O-C 3.53Å; W26-Y42 WeakPolarHBondContact O-CA 3.47Å; W26-Y42 WeakPolarHBondContact O-CB 3.11Å; W26-I43 HydrophobicContact CB-CG2 4.14Å; W26-I43 PolarHBondContact N-O 3.14Å; W26-I43 PolarHBondContact O-N 3.31Å; W26-Y70 HydrophobicContact CB-CD1 4.08Å; W26-Y70 HydrophobicContact CB-CD2 4.02Å; W26-Y70 HydrophobicContact CB-CE1 3.86Å; W26-Y70 HydrophobicContact CB-CE2 3.8Å; W26-Y70 HydrophobicContact CB-CG 4.12Å; W26-Y70 HydrophobicContact CD2-CE1 4.19Å; W26-Y70 AromaticContact CE3-CE1 3.8Å; W26-Y70 HydrophobicContact CE3-CE1 3.8Å; W26-Y70 HydrophobicContact CG-CD1 4.36Å; W26-Y70 HydrophobicContact CG-CE1 4.23Å; W26-R89 HydrophobicContact CE3-CB 4.2Å; W26-R89 HydrophobicContact CE3-CG 4.33Å; W26-R89 HydrophobicContact CH2-CB 4.29Å; W26-R89 HydrophobicContact CH2-CG 3.93Å; W26-R89 HydrophobicContact CZ2-CG 4.26Å; W26-R89 HydrophobicContact CZ3-CB 3.85Å; W26-R89 HydrophobicContact CZ3-CG 3.96Å
27	N	95.2	Very high	92.9	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	151.8	-166	-59.3	-82.3	0	0	0	110.8	Y25 I29 Y39 G41 Y42 Y70 C87 A88 W90 M98	Y25-N27 PolarHBondContact O-ND2 3.36Å; N27-I29 HydrophobicContact CB-CD1 4.48Å; N27-Y39 HydrophobicContact CB-CE2 4.12Å; N27-Y39 PolarHBondContact OD1-OH 3.12Å; N27-G41 WeakPolarHBondContact CA-O 3.24Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.45Å; N27-Y70 PolarHBondContact O-OH 3.04Å; N27-C87 WeakPolarHBondContact O-CA 3.32Å; N27-A88 HydrophobicContact CB-CB 4.39Å; N27-A88 WeakPolarHBondContact CB-O 3.44Å; N27-A88 PolarHBondContact N-O 3.37Å; N27-A88 PolarHBondContact ND2-O 3.05Å; N27-A88 PolarHBondContact O-N 3.08Å; N27-W90 PolarHBondContact ND2-N 2.68Å; N27-M98 HydrophobicContact CB-SD 4.35Å
28	W	96.9	Very high	93.2	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.015	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.6	166	-77.3	102	0	0	0	110	L12 C14 M40 G41 Y70 L72 Y86	L12-W28 HydrophobicContact CB-CH2 3.65Å; L12-W28 HydrophobicContact CB-CZ2 4.28Å; L12-W28 HydrophobicContact CB-CZ3 4.04Å; L12-W28 HydrophobicContact CD1-CZ3 4.14Å; C14-W28 HydrophobicContact CB-CH2 4.08Å; C14-W28 HydrophobicContact CB-CZ2 4.04Å; W28-M40 HydrophobicContact CB-CB 4.1Å; W28-M40 HydrophobicContact CB-SD 4.49Å; W28-M40 WeakPolarHBondContact O-CB 3.47Å; W28-M40 PolarHBondContact O-N 2.86Å; W28-G41 PolarHBondContact N-O 2.8Å; W28-Y70 AromaticContact CD1-CE2 3.69Å; W28-Y70 HydrophobicContact CD2-CE2 4.31Å; W28-Y70 AromaticContact CE2-CD2 3.95Å; W28-Y70 AromaticContact CE2-CE2 3.63Å; W28-Y70 HydrophobicContact CG-CE2 4.34Å; W28-Y70 HydrophobicContact CZ2-CD2 4.32Å; W28-Y70 HydrophobicContact CZ2-CE2 4.14Å; W28-Y70 AromaticContact NE1-CD2 3.27Å; W28-Y70 VanDerWaalsContact NE1-CD2 3.27Å; W28-Y70 AromaticContact NE1-CE2 3.2Å; W28-L72 HydrophobicContact CB-CD2 4.22Å; W28-L72 HydrophobicContact CD2-CB 3.64Å; W28-L72 HydrophobicContact CD2-CD2 3.9Å; W28-L72 HydrophobicContact CD2-CG 4.36Å; W28-L72 VanDerWaalsContact CE2-CB 3.4Å; W28-L72 HydrophobicContact CE3-CB 4.26Å; W28-L72 HydrophobicContact CE3-CD2 3.98Å; W28-L72 HydrophobicContact CG-CB 3.91Å; W28-L72 HydrophobicContact CG-CD2 4.01Å; W28-L72 HydrophobicContact CG-CG 4.38Å; W28-L72 HydrophobicContact CH2-CB 4.43Å; W28-L72 HydrophobicContact CZ2-CB 3.84Å; W28-Y86 WeakPolarHBondContact CA-O 3.47Å
29	I	96.5	Very high	93.5	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.036	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	139.9	178.3	-59.4	136.9	0	0	0	107.2	N27 L37 E38 Y39 Y86 A88 M98 W101	N27-I29 HydrophobicContact CB-CD1 4.48Å; I29-L37 HydrophobicContact CG2-CB 4.42Å; I29-L37 HydrophobicContact CG2-CD2 3.96Å; I29-E38 WeakPolarHBondContact CA-O 3.3Å; I29-Y39 HydrophobicContact CG1-CD2 4.05Å; I29-Y86 PolarHBondContact N-O 3.05Å; I29-Y86 PolarHBondContact O-N 2.86Å; I29-A88 HydrophobicContact CD1-CB 3.66Å; I29-M98 HydrophobicContact CD1-CE 3.3Å; I29-M98 HydrophobicContact CD1-SD 3.72Å; I29-M98 HydrophobicContact CG1-CE 4.39Å; I29-W101 HydrophobicContact CB-CH2 4.3Å; I29-W101 HydrophobicContact CB-CZ3 4.19Å; I29-W101 HydrophobicContact CD1-CE3 4.48Å; I29-W101 HydrophobicContact CD1-CH2 3.6Å; I29-W101 HydrophobicContact CD1-CZ2 3.97Å; I29-W101 HydrophobicContact CD1-CZ3 3.87Å; I29-W101 HydrophobicContact CG1-CH2 4.39Å; I29-W101 HydrophobicContact CG2-CH2 3.97Å; I29-W101 HydrophobicContact CG2-CZ3 4.1Å
30	R	96.7	Very high	93.9	Very high	11 Å²	11	45.8 Å²	45.8	4%	0.042	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	143.5	171.5	66	-178.1	178.4	171.7	7.2	111.3	F32 L37 E38 M40 D81 A83 T84 Y85	R30-F32 HydrophobicContact CG-CE2 4.34Å; R30-F32 HydrophobicContact CG-CZ 4.15Å; R30-L37 CarbonylContact O-C 3.6Å; R30-L37 WeakPolarHBondContact O-CA 3.33Å; R30-E38 HydrophobicContact CG-CB 4.13Å; R30-E38 IonicContact CZ-OE2 3.64Å; R30-E38 PolarHBondContact N-O 3.49Å; R30-E38 IonicContact NE-OE2 3.09Å; R30-E38 PolarHBondContact NE-OE2 2.8Å; R30-E38 IonicContact NH2-OE2 2.86Å; R30-E38 PolarHBondContact NH2-OE2 2.63Å; R30-E38 PolarHBondContact O-N 2.91Å; R30-M40 HydrophobicContact CB-SD 3.99Å; R30-M40 HydrophobicContact CG-CG 4.17Å; R30-M40 HydrophobicContact CG-SD 3.98Å; R30-D81 IonicContact CZ-OD1 2.63Å; R30-D81 IonicContact NH1-OD1 2.68Å; R30-D81 PolarHBondContact NH1-OD1 2.9Å; R30-D81 IonicContact NH2-OD1 3.35Å; R30-A83 HydrophobicContact CB-CB 3.94Å; R30-A83 HydrophobicContact CG-CB 4.44Å; R30-T84 CarbonylContact C-O 3.4Å; R30-T84 WeakPolarHBondContact CA-O 3.43Å; R30-Y85 HydrophobicContact CB-CD1 3.85Å; R30-Y85 HydrophobicContact CB-CE1 3.89Å; R30-Y85 HydrophobicContact CB-CG 4.3Å; R30-Y85 HydrophobicContact CG-CE1 4.49Å; R30-Y85 PolarHBondContact NH1-OH 3.19Å
31	K	97.3	Very high	94.2	Very high	62 Å²	62	43.6 Å²	43.6	27%	0.27	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	117.1	177.6	-169.1	179.9	174.5	-173.5	0	109.1	N35 K36 L37 A83 T84 Y86	K31-N35 WeakPolarHBondContact CE-OD1 3.45Å; K31-N35 PolarHBondContact NZ-OD1 2.98Å; K31-K36 WeakPolarHBondContact CA-O 3.49Å; K31-L37 HydrophobicContact CB-CD2 3.61Å; K31-L37 HydrophobicContact CD-CD2 4.14Å; K31-L37 HydrophobicContact CG-CD2 3.71Å; K31-A83 WeakPolarHBondContact O-CA 3.35Å; K31-A83 WeakPolarHBondContact O-CB 3.36Å; K31-T84 PolarHBondContact N-O 2.73Å; K31-T84 PolarHBondContact O-N 2.91Å; K31-Y86 HydrophobicContact CB-CD2 4.28Å; K31-Y86 HydrophobicContact CB-CE2 3.6Å; K31-Y86 HydrophobicContact CD-CE2 4.24Å
32	F	96.5	Very high	94.4	Very high	40 Å²	40	46.1 Å²	46.1	18%	0.175	25%	0.253	C	S	.	.			trans	-77.4	160.2	178.2	-62.7	-75.9	0	0	0	111.7	R30 G34 N35 K36 E38 E80 A83	R30-F32 HydrophobicContact CG-CE2 4.34Å; R30-F32 HydrophobicContact CG-CZ 4.15Å; F32-G34 PolarHBondContact O-N 2.74Å; F32-N35 PolarHBondContact O-N 2.85Å; F32-K36 HydrophobicContact CB-CB 4.49Å; F32-K36 HydrophobicContact CD2-CB 4.25Å; F32-K36 HydrophobicContact CD2-CD 4.4Å; F32-K36 HydrophobicContact CD2-CG 4.33Å; F32-K36 WeakPolarHBondContact CD2-O 3.28Å; F32-K36 PolarHBondContact N-O 2.7Å; F32-E38 HydrophobicContact CE2-CB 3.75Å; F32-E38 HydrophobicContact CZ-CB 4.44Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.45Å; F32-E80 VanDerWaalsContact CE1-O 3.29Å; F32-E80 WeakPolarHBondContact CE1-O 3.45Å; F32-A83 HydrophobicContact CD1-CB 4.11Å; F32-A83 HydrophobicContact CE1-CB 4.36Å
33	P	91.9	Very high	94.5	Very high	105 Å²	105	43.2 Å²	43.2	68%	0.682	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.1	130.6	158.4	-23.9	34.3	0	0	0	109.8	T82	P33-T82 WeakPolarHBondContact CD-O 3.34Å
34	G	93.1	Very high	94.9	Very high	73 Å²	73	40.3 Å²	40.3	75%	0.753	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.2	10.8	-171.8	0	0	0	0	0	115.2	F32 K36	F32-G34 PolarHBondContact O-N 2.74Å; G34-K36 VanDerWaalsContact C-N 3.25Å; G34-K36 PolarHBondContact O-N 3.34Å
35	N	90.4	Very high	95	Very high	113 Å²	113	45.1 Å²	45.1	60%	0.604	23%	0.233	S	C	*	.	S	Bend	trans	67.1	9.7	171.2	-58.8	-60.7	0	0	0	116.7	K31 F32 L37	K31-N35 WeakPolarHBondContact CE-OD1 3.45Å; K31-N35 PolarHBondContact NZ-OD1 2.98Å; F32-N35 PolarHBondContact O-N 2.85Å; N35-L37 PolarHBondContact O-N 2.78Å
36	K	94.7	Very high	95	Very high	144 Å²	144	47.1 Å²	47.1	63%	0.626	25%	0.251	S	S	*	.			trans	-67.7	128.4	171	-176.1	-177.8	177.4	-173.4	0	110	K31 F32 G34	K31-K36 WeakPolarHBondContact CA-O 3.49Å; F32-K36 HydrophobicContact CB-CB 4.49Å; F32-K36 HydrophobicContact CD2-CB 4.25Å; F32-K36 HydrophobicContact CD2-CD 4.4Å; F32-K36 HydrophobicContact CD2-CG 4.33Å; F32-K36 WeakPolarHBondContact CD2-O 3.28Å; F32-K36 PolarHBondContact N-O 2.7Å; G34-K36 VanDerWaalsContact C-N 3.25Å; G34-K36 PolarHBondContact O-N 3.34Å
37	L	94.7	Very high	95	Very high	92 Å²	92	48.4 Å²	48.4	48%	0.482	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	142.8	173.4	-67.5	170.5	0	0	0	110.6	I29 R30 K31 N35 W101	I29-L37 HydrophobicContact CG2-CB 4.42Å; I29-L37 HydrophobicContact CG2-CD2 3.96Å; R30-L37 CarbonylContact O-C 3.6Å; R30-L37 WeakPolarHBondContact O-CA 3.33Å; K31-L37 HydrophobicContact CB-CD2 3.61Å; K31-L37 HydrophobicContact CD-CD2 4.14Å; K31-L37 HydrophobicContact CG-CD2 3.71Å; N35-L37 PolarHBondContact O-N 2.78Å; L37-W101 HydrophobicContact CD1-CH2 4.42Å
38	E	96.2	Very high	95	Very high	41 Å²	41	51.7 Å²	51.7	19%	0.192	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	123.7	169.5	179.9	175.4	-127.5	0	0	109.8	I29 R30 F32	I29-E38 WeakPolarHBondContact CA-O 3.3Å; R30-E38 HydrophobicContact CG-CB 4.13Å; R30-E38 IonicContact CZ-OE2 3.64Å; R30-E38 PolarHBondContact N-O 3.49Å; R30-E38 IonicContact NE-OE2 3.09Å; R30-E38 PolarHBondContact NE-OE2 2.8Å; R30-E38 IonicContact NH2-OE2 2.86Å; R30-E38 PolarHBondContact NH2-OE2 2.63Å; R30-E38 PolarHBondContact O-N 2.91Å; F32-E38 HydrophobicContact CE2-CB 3.75Å; F32-E38 HydrophobicContact CZ-CB 4.44Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.45Å
39	Y	95.4	Very high	95	Very high	55 Å²	55	54.2 Å²	54.2	22%	0.216	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	129	173.2	176.8	-107.8	0	0	0	110	N27 I29 G41 Y42 Y50 N52 W90	N27-Y39 HydrophobicContact CB-CE2 4.12Å; N27-Y39 PolarHBondContact OD1-OH 3.12Å; I29-Y39 HydrophobicContact CG1-CD2 4.05Å; Y39-G41 WeakPolarHBondContact OH-CA 3.47Å; Y39-G41 PolarHBondContact OH-O 2.76Å; Y39-Y42 WeakPolarHBondContact OH-CB 3.4Å; Y39-Y42 WeakPolarHBondContact OH-CD1 3.32Å; Y39-Y42 PolarHBondContact OH-N 2.7Å; Y39-Y50 AromaticContact CE1-CD1 3.86Å; Y39-Y50 HydrophobicContact CE1-CD1 3.86Å; Y39-Y50 AromaticContact CE1-CE1 3.83Å; Y39-Y50 HydrophobicContact CE1-CE1 3.83Å; Y39-N52 WeakPolarHBondContact O-CB 3.38Å; Y39-N52 PolarHBondContact O-ND2 3.48Å; Y39-W90 AromaticContact CE2-CH2 3.99Å; Y39-W90 HydrophobicContact CE2-CH2 3.99Å; Y39-W90 HydrophobicContact CE2-CZ2 4.34Å
40	M	97.1	Very high	95	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-38.8	-175.9	-56.5	-175	71.3	0	0	112.2	W28 R30 N52 L55 I59 L72 Y85	W28-M40 HydrophobicContact CB-CB 4.1Å; W28-M40 HydrophobicContact CB-SD 4.49Å; W28-M40 WeakPolarHBondContact O-CB 3.47Å; W28-M40 PolarHBondContact O-N 2.86Å; R30-M40 HydrophobicContact CB-SD 3.99Å; R30-M40 HydrophobicContact CG-CG 4.17Å; R30-M40 HydrophobicContact CG-SD 3.98Å; M40-N52 WeakPolarHBondContact O-CB 3.39Å; M40-N52 PolarHBondContact O-N 2.87Å; M40-L55 HydrophobicContact CB-CD1 4.11Å; M40-L55 HydrophobicContact CE-CD1 4.09Å; M40-L55 HydrophobicContact CG-CD1 3.92Å; M40-I59 HydrophobicContact CB-CD1 4.38Å; M40-I59 HydrophobicContact CE-CG2 3.96Å; M40-I59 WeakPolarHBondContact O-CD1 3.1Å; M40-L72 HydrophobicContact CE-CD1 4.27Å; M40-L72 HydrophobicContact CE-CD2 3.7Å; M40-L72 HydrophobicContact SD-CD2 3.7Å; M40-Y85 HydrophobicContact CE-CD1 4.46Å; M40-Y85 HydrophobicContact CE-CE1 3.91Å; M40-Y85 HydrophobicContact SD-CD1 3.75Å; M40-Y85 HydrophobicContact SD-CE1 3.69Å
41	G	96.3	Very high	95	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.7	-179.9	-176.6	0	0	0	0	0	112.8	N27 W28 Y39 Y50	N27-G41 WeakPolarHBondContact CA-O 3.24Å; W28-G41 PolarHBondContact N-O 2.8Å; Y39-G41 WeakPolarHBondContact OH-CA 3.47Å; Y39-G41 PolarHBondContact OH-O 2.76Å; G41-Y50 CarbonylContact C-O 3.57Å; G41-Y50 WeakPolarHBondContact CA-O 3.28Å
42	Y	95.9	Very high	95	Very high	53 Å²	53	59.4 Å²	59.4	21%	0.208	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	163.7	176.3	71	-117	0	0	0	112.5	Y25 W26 N27 Y39 T49 Y50 W90	Y25-Y42 HydrophobicContact CD1-CD1 4.42Å; Y25-Y42 AromaticContact CD1-CD2 3.76Å; Y25-Y42 HydrophobicContact CD1-CD2 3.76Å; Y25-Y42 HydrophobicContact CD1-CE1 4.39Å; Y25-Y42 AromaticContact CD1-CE2 3.68Å; Y25-Y42 HydrophobicContact CD1-CE2 3.68Å; Y25-Y42 HydrophobicContact CD1-CG 4.2Å; Y25-Y42 HydrophobicContact CE1-CD2 4.42Å; Y25-Y42 AromaticContact CE1-CE2 3.89Å; Y25-Y42 HydrophobicContact CE1-CE2 3.89Å; W26-Y42 CarbonylContact O-C 3.53Å; W26-Y42 WeakPolarHBondContact O-CA 3.47Å; W26-Y42 WeakPolarHBondContact O-CB 3.11Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.45Å; Y39-Y42 WeakPolarHBondContact OH-CB 3.4Å; Y39-Y42 WeakPolarHBondContact OH-CD1 3.32Å; Y39-Y42 PolarHBondContact OH-N 2.7Å; Y42-T49 VanDerWaalsContact O-CA 3.3Å; Y42-T49 WeakPolarHBondContact O-CA 3.45Å; Y42-Y50 HydrophobicContact CE1-CD1 4.45Å; Y42-Y50 HydrophobicContact CE1-CG 4.05Å; Y42-Y50 VanDerWaalsContact CZ-CB 3.44Å; Y42-Y50 PolarHBondContact N-O 2.86Å; Y42-Y50 PolarHBondContact O-N 3.1Å; Y42-W90 HydrophobicContact CD1-CZ3 4.22Å
43	I	96.8	Very high	95	Very high	7 Å²	7	62.1 Å²	62.1	4%	0.036	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.4	157.3	-170.4	161.5	0	0	0	109.8	W26 S48 T49 I61 R63 Y70	W26-I43 HydrophobicContact CB-CG2 4.14Å; W26-I43 PolarHBondContact N-O 3.14Å; W26-I43 PolarHBondContact O-N 3.31Å; I43-S48 WeakPolarHBondContact CA-O 3.46Å; I43-T49 HydrophobicContact CB-CG2 4.05Å; I43-T49 HydrophobicContact CD1-CG2 3.95Å; I43-T49 HydrophobicContact CG1-CG2 3.87Å; I43-I61 HydrophobicContact CB-CG2 3.73Å; I43-I61 HydrophobicContact CG2-CG2 3.74Å; I43-R63 HydrophobicContact CD1-CB 3.99Å; I43-R63 HydrophobicContact CD1-CG 3.76Å; I43-Y70 HydrophobicContact CG2-CD2 4.29Å
44	S	94.4	Very high	95.1	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.014	35%	0.345	C	S	.	.			trans	-81.4	169.7	-179.3	71.6	0	0	0	0	111.9	D24 S46 G47 S48 R63	D24-S44 CarbonylContact O-C 3.48Å; S44-S46 PolarHBondContact O-N 2.86Å; S44-S46 PolarHBondContact OG-N 3.48Å; S44-S46 PolarHBondContact OG-OG 3.01Å; S44-G47 WeakPolarHBondContact O-CA 3.32Å; S44-G47 PolarHBondContact O-N 3.45Å; S44-G47 PolarHBondContact OG-N 3.12Å; S44-S48 PolarHBondContact N-O 2.81Å; S44-S48 WeakPolarHBondContact OG-CB 3.36Å; S44-S48 PolarHBondContact OG-N 3.28Å; S44-S48 PolarHBondContact OG-O 2.9Å; S44-R63 PolarHBondContact O-NH1 3.4Å
45	Y	91.4	Very high	95.2	Very high	110 Å²	110	58.3 Å²	58.3	43%	0.431	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-24.5	170.5	70.3	-90.8	0	0	0	114.2	T22 D24 Y25 R63 A92	T22-Y45 VanDerWaalsContact C-CB 3.45Å; T22-Y45 WeakPolarHBondContact O-CB 3.41Å; D24-Y45 PolarHBondContact O-N 2.88Å; Y25-Y45 HydrophobicContact CE2-CD1 4.33Å; Y25-Y45 HydrophobicContact CE2-CE1 4.3Å; Y45-R63 VanDerWaalsContact O-CZ 3.26Å; Y45-R63 PolarHBondContact O-NH1 2.78Å; Y45-R63 PolarHBondContact O-NH2 3.36Å; Y45-A92 HydrophobicContact CD1-CB 4.49Å; Y45-A92 HydrophobicContact CE1-CB 4.42Å
46	S	93.1	Very high	95.4	Very high	68 Å²	68	59.6 Å²	59.6	48%	0.476	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-9.9	173.2	60.3	0	0	0	0	113.1	S44 S48 R63	S44-S46 PolarHBondContact O-N 2.86Å; S44-S46 PolarHBondContact OG-N 3.48Å; S44-S46 PolarHBondContact OG-OG 3.01Å; S46-S48 PolarHBondContact OG-OG 2.63Å; S46-R63 PolarHBondContact O-NH2 3.29Å
47	G	94.8	Very high	95.5	Very high	29 Å²	29	58 Å²	58	30%	0.299	32%	0.318	S	S	.	.	S	Bend	trans	90.5	3.3	-176.5	0	0	0	0	0	113.7	S44 R63	S44-G47 WeakPolarHBondContact O-CA 3.32Å; S44-G47 PolarHBondContact O-N 3.45Å; S44-G47 PolarHBondContact OG-N 3.12Å; G47-R63 VanDerWaalsContact N-CZ 3.35Å
48	S	95.4	Very high	95.6	Very high	70 Å²	70	56.3 Å²	56.3	49%	0.49	31%	0.305	S	S	.	.			trans	-68.8	136.5	173	-54.7	0	0	0	0	110.1	I43 S44 S46	I43-S48 WeakPolarHBondContact CA-O 3.46Å; S44-S48 PolarHBondContact N-O 2.81Å; S44-S48 WeakPolarHBondContact OG-CB 3.36Å; S44-S48 PolarHBondContact OG-N 3.28Å; S44-S48 PolarHBondContact OG-O 2.9Å; S46-S48 PolarHBondContact OG-OG 2.63Å
49	T	97	Very high	95.6	Very high	57 Å²	57	54.9 Å²	54.9	35%	0.35	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	147.5	-178.5	52.2	0	0	0	0	112	Y42 I43 Y51 I61	Y42-T49 VanDerWaalsContact O-CA 3.3Å; Y42-T49 WeakPolarHBondContact O-CA 3.45Å; I43-T49 HydrophobicContact CB-CG2 4.05Å; I43-T49 HydrophobicContact CD1-CG2 3.95Å; I43-T49 HydrophobicContact CG1-CG2 3.87Å; T49-Y51 PolarHBondContact OG1-OH 3.34Å; T49-I61 HydrophobicContact CG2-CB 4.48Å
50	Y	96.3	Very high	95.7	Very high	106 Å²	106	54 Å²	54	42%	0.416	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.6	165	175.2	-88.3	0	0	0	108.6	Y39 G41 Y42	Y39-Y50 AromaticContact CE1-CD1 3.86Å; Y39-Y50 HydrophobicContact CE1-CD1 3.86Å; Y39-Y50 AromaticContact CE1-CE1 3.83Å; Y39-Y50 HydrophobicContact CE1-CE1 3.83Å; G41-Y50 CarbonylContact C-O 3.57Å; G41-Y50 WeakPolarHBondContact CA-O 3.28Å; Y42-Y50 HydrophobicContact CE1-CD1 4.45Å; Y42-Y50 HydrophobicContact CE1-CG 4.05Å; Y42-Y50 VanDerWaalsContact CZ-CB 3.44Å; Y42-Y50 PolarHBondContact N-O 2.86Å; Y42-Y50 PolarHBondContact O-N 3.1Å
51	Y	97.3	Very high	95.8	Very high	52 Å²	52	54.1 Å²	54.1	20%	0.204	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	139.5	178.6	-56	-64.5	0	0	0	109.7	T49 K56 I59 I61	T49-Y51 PolarHBondContact OG1-OH 3.34Å; Y51-K56 HydrophobicContact CD2-CG 4.19Å; Y51-K56 HydrophobicContact CG-CG 4.42Å; Y51-I59 HydrophobicContact CD1-CD1 3.6Å; Y51-I59 HydrophobicContact CD1-CG1 3.61Å; Y51-I59 HydrophobicContact CE1-CG1 4.23Å; Y51-I59 HydrophobicContact CG-CD1 4.28Å; Y51-I59 HydrophobicContact CG-CG1 4.24Å; Y51-I61 HydrophobicContact CD1-CD1 4.13Å; Y51-I61 HydrophobicContact CD1-CG1 4.41Å; Y51-I61 HydrophobicContact CE1-CB 4.12Å; Y51-I61 HydrophobicContact CE1-CD1 4.06Å; Y51-I61 HydrophobicContact CE1-CG1 3.92Å
52	N	96.4	Very high	95.8	Very high	30 Å²	30	57.4 Å²	57.4	16%	0.16	32%	0.321	C	S	.	.			trans	-57.2	126.1	166.1	-179.2	-30.6	0	0	0	108.9	Y39 M40 S54 L55 K56	Y39-N52 WeakPolarHBondContact O-CB 3.38Å; Y39-N52 PolarHBondContact O-ND2 3.48Å; M40-N52 WeakPolarHBondContact O-CB 3.39Å; M40-N52 PolarHBondContact O-N 2.87Å; N52-S54 PolarHBondContact O-N 2.8Å; N52-S54 VanDerWaalsContact O-N 3.12Å; N52-S54 PolarHBondContact OD1-N 2.99Å; N52-L55 HydrophobicContact CB-CB 4.44Å; N52-L55 HydrophobicContact CB-CD1 4.4Å; N52-L55 CarbonylContact O-C 3.55Å; N52-L55 PolarHBondContact O-N 3.33Å; N52-K56 PolarHBondContact O-N 3.02Å
53	P	96.4	Very high	95.9	Very high	97 Å²	97	58.3 Å²	58.3	63%	0.63	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-37.9	-178.6	-29.7	35.9	0	0	0	114.2	L55	P53-L55 PolarHBondContact O-N 3.04Å
54	S	94.4	Very high	95.9	Very high	95 Å²	95	59.8 Å²	59.8	66%	0.664	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-18.5	179.7	-58.8	0	0	0	0	113.7	N52	N52-S54 PolarHBondContact O-N 2.8Å; N52-S54 VanDerWaalsContact O-N 3.12Å; N52-S54 PolarHBondContact OD1-N 2.99Å
55	L	95.6	Very high	96	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.021	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-11.6	-176.9	-63.1	174.6	0	0	0	113.1	M40 N52 P53 S57 R58 I59	M40-L55 HydrophobicContact CB-CD1 4.11Å; M40-L55 HydrophobicContact CE-CD1 4.09Å; M40-L55 HydrophobicContact CG-CD1 3.92Å; N52-L55 HydrophobicContact CB-CB 4.44Å; N52-L55 HydrophobicContact CB-CD1 4.4Å; N52-L55 CarbonylContact O-C 3.55Å; N52-L55 PolarHBondContact O-N 3.33Å; P53-L55 PolarHBondContact O-N 3.04Å; L55-S57 PolarHBondContact O-N 2.05Å; L55-R58 PolarHBondContact O-N 2.99Å; L55-I59 HydrophobicContact CB-CD1 3.89Å; L55-I59 HydrophobicContact CB-CG1 4.2Å; L55-I59 HydrophobicContact CB-CG2 4.02Å; L55-I59 WeakPolarHBondContact O-CG1 3.3Å; L55-I59 PolarHBondContact O-N 3.06Å
56	K	94.5	Very high	96.2	Very high	139 Å²	139	63 Å²	63	60%	0.604	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-31.3	-169.6	-175.5	174.9	-178.8	-178	0	114.8	Y51 N52 R58	Y51-K56 HydrophobicContact CD2-CG 4.19Å; Y51-K56 HydrophobicContact CG-CG 4.42Å; N52-K56 PolarHBondContact O-N 3.02Å; K56-R58 VanDerWaalsContact C-N 3.35Å
57	S	96.3	Very high	96.4	Very high	112 Å²	112	65.6 Å²	65.6	78%	0.783	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-17.9	178.1	57.6	0	0	0	0	114	L55	L55-S57 PolarHBondContact O-N 2.05Å
58	R	96.4	Very high	96.4	Very high	56 Å²	56	66 Å²	66	21%	0.211	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-23.6	-173.5	-55.9	-163	-61.2	134.7	-1.7	113.5	L55 K56 L74 N75 S76 D81	L55-R58 PolarHBondContact O-N 2.99Å; K56-R58 VanDerWaalsContact C-N 3.35Å; R58-L74 HydrophobicContact CB-CD1 3.89Å; R58-N75 PolarHBondContact O-N 3.5Å; R58-S76 PolarHBondContact NH1-O 3.03Å; R58-D81 IonicContact CZ-OD1 3.34Å; R58-D81 IonicContact CZ-OD2 3.65Å; R58-D81 IonicContact NH1-OD1 3.82Å; R58-D81 PolarHBondContact NH1-OD1 3.03Å; R58-D81 IonicContact NH1-OD2 3.72Å; R58-D81 PolarHBondContact NH1-OD2 2.95Å; R58-D81 IonicContact NH2-OD1 3.45Å; R58-D81 PolarHBondContact NH2-OD1 3.05Å; R58-D81 IonicContact NH2-OD2 3.63Å
59	I	97.1	Very high	96.5	Very high	10 Å²	10	64.7 Å²	64.7	5%	0.051	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	147.1	-175.4	68.9	176.3	0	0	0	113.4	M40 Y51 L55 L72 Q73 L74	M40-I59 HydrophobicContact CB-CD1 4.38Å; M40-I59 HydrophobicContact CE-CG2 3.96Å; M40-I59 WeakPolarHBondContact O-CD1 3.1Å; Y51-I59 HydrophobicContact CD1-CD1 3.6Å; Y51-I59 HydrophobicContact CD1-CG1 3.61Å; Y51-I59 HydrophobicContact CE1-CG1 4.23Å; Y51-I59 HydrophobicContact CG-CD1 4.28Å; Y51-I59 HydrophobicContact CG-CG1 4.24Å; L55-I59 HydrophobicContact CB-CD1 3.89Å; L55-I59 HydrophobicContact CB-CG1 4.2Å; L55-I59 HydrophobicContact CB-CG2 4.02Å; L55-I59 WeakPolarHBondContact O-CG1 3.3Å; L55-I59 PolarHBondContact O-N 3.06Å; I59-L72 HydrophobicContact CB-CD1 4.08Å; I59-L72 HydrophobicContact CG2-CD1 4.23Å; I59-Q73 CarbonylContact C-O 3.36Å; I59-Q73 VanDerWaalsContact CA-O 3.24Å; I59-Q73 WeakPolarHBondContact CA-O 3.12Å; I59-L74 HydrophobicContact CG2-CB 4.47Å; I59-L74 HydrophobicContact CG2-CD1 3.49Å; I59-L74 VanDerWaalsContact CG2-CD1 3.49Å
60	S	97.8	Very high	96.5	Very high	36 Å²	36	62 Å²	62	25%	0.252	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	133.8	167.1	179.9	0	0	0	0	108.9	Q73	S60-Q73 PolarHBondContact N-O 2.86Å; S60-Q73 PolarHBondContact O-N 2.92Å
61	I	98.1	Very high	96.6	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.021	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.1	178.2	-58.5	168.8	0	0	0	107.7	I43 T49 Y51 Y71 L72	I43-I61 HydrophobicContact CB-CG2 3.73Å; I43-I61 HydrophobicContact CG2-CG2 3.74Å; T49-I61 HydrophobicContact CG2-CB 4.48Å; Y51-I61 HydrophobicContact CD1-CD1 4.13Å; Y51-I61 HydrophobicContact CD1-CG1 4.41Å; Y51-I61 HydrophobicContact CE1-CB 4.12Å; Y51-I61 HydrophobicContact CE1-CD1 4.06Å; Y51-I61 HydrophobicContact CE1-CG1 3.92Å; I61-Y71 VanDerWaalsContact CA-O 3.32Å; I61-Y71 WeakPolarHBondContact CA-O 3.45Å; I61-Y71 WeakPolarHBondContact CG2-O 3.43Å; I61-L72 HydrophobicContact CG1-CD1 3.99Å
62	T	97.7	Very high	96.6	Very high	69 Å²	69	56.5 Å²	56.5	42%	0.423	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	170.8	-177.9	64	0	0	0	0	110.9	Y70 Y71	T62-Y70 CarbonylContact O-C 3.56Å; T62-Y70 WeakPolarHBondContact O-CA 3.47Å; T62-Y70 WeakPolarHBondContact O-CB 3.37Å; T62-Y71 PolarHBondContact N-O 2.81Å; T62-Y71 VanDerWaalsContact N-O 3.09Å; T62-Y71 PolarHBondContact O-N 3.16Å
63	R	96.9	Very high	96.7	Very high	72 Å²	72	58.9 Å²	58.9	27%	0.272	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	152.7	179	67.8	-178.5	-173.9	167	4.3	112.7	I21 I43 S44 Y45 S46 G47 Q69	I21-R63 HydrophobicContact CD1-CB 3.97Å; I43-R63 HydrophobicContact CD1-CB 3.99Å; I43-R63 HydrophobicContact CD1-CG 3.76Å; S44-R63 PolarHBondContact O-NH1 3.4Å; Y45-R63 VanDerWaalsContact O-CZ 3.26Å; Y45-R63 PolarHBondContact O-NH1 2.78Å; Y45-R63 PolarHBondContact O-NH2 3.36Å; S46-R63 PolarHBondContact O-NH2 3.29Å; G47-R63 VanDerWaalsContact N-CZ 3.35Å; R63-Q69 WeakPolarHBondContact CA-O 3.4Å
64	D	96.8	Very high	96.7	Very high	37 Å²	37	54.3 Å²	54.3	20%	0.198	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	101.3	169.5	-175.3	-17	0	0	0	108.3	S66 K67 N68 Q69 Y71	D64-S66 PolarHBondContact O-N 2.9Å; D64-S66 WeakPolarHBondContact OD1-CB 2.85Å; D64-S66 PolarHBondContact OD1-N 2.91Å; D64-S66 PolarHBondContact OD1-OG 2.85Å; D64-K67 HydrophobicContact CB-CB 4.4Å; D64-K67 PolarHBondContact O-N 3.47Å; D64-K67 PolarHBondContact OD1-N 3.02Å; D64-K67 VanDerWaalsContact OD2-CD 3.28Å; D64-K67 WeakPolarHBondContact OD2-CD 2.87Å; D64-K67 VanDerWaalsContact OD2-CE 3.27Å; D64-K67 WeakPolarHBondContact OD2-CE 3.36Å; D64-K67 IonicContact OD2-NZ 2.76Å; D64-K67 PolarHBondContact OD2-NZ 3.18Å; D64-N68 PolarHBondContact O-N 3.14Å; D64-N68 VanDerWaalsContact O-N 3.12Å; D64-Q69 PolarHBondContact N-O 3.04Å; D64-Q69 PolarHBondContact O-N 2.89Å; D64-Q69 VanDerWaalsContact O-N 3.08Å; D64-Y71 HydrophobicContact CB-CE2 3.75Å
65	T	95.8	Very high	96.8	Very high	78 Å²	78	52.1 Å²	52.1	48%	0.479	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-24.1	-178.2	55.8	0	0	0	0	112.4	I21 T22 K67 N68	I21-T65 HydrophobicContact CD1-CG2 4.18Å; I21-T65 HydrophobicContact CG1-CG2 4.3Å; T22-T65 HydrophobicContact CG2-CG2 3.49Å; T22-T65 VanDerWaalsContact CG2-CG2 3.49Å; T65-K67 VanDerWaalsContact C-N 3.26Å; T65-K67 PolarHBondContact O-N 2.87Å; T65-N68 PolarHBondContact O-N 3.41Å
66	S	96	Very high	96.7	Very high	101 Å²	101	55.3 Å²	55.3	71%	0.706	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-27.3	176.6	76.1	0	0	0	0	112.2	D64	D64-S66 PolarHBondContact O-N 2.9Å; D64-S66 WeakPolarHBondContact OD1-CB 2.85Å; D64-S66 PolarHBondContact OD1-N 2.91Å; D64-S66 PolarHBondContact OD1-OG 2.85Å
67	K	96.8	Very high	96.8	Very high	124 Å²	124	48.8 Å²	48.8	54%	0.539	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-2.5	179.3	-63	-177.6	-168.4	126.8	0	113.8	D64 T65 Q69	D64-K67 HydrophobicContact CB-CB 4.4Å; D64-K67 PolarHBondContact O-N 3.47Å; D64-K67 PolarHBondContact OD1-N 3.02Å; D64-K67 VanDerWaalsContact OD2-CD 3.28Å; D64-K67 WeakPolarHBondContact OD2-CD 2.87Å; D64-K67 VanDerWaalsContact OD2-CE 3.27Å; D64-K67 WeakPolarHBondContact OD2-CE 3.36Å; D64-K67 IonicContact OD2-NZ 2.76Å; D64-K67 PolarHBondContact OD2-NZ 3.18Å; T65-K67 VanDerWaalsContact C-N 3.26Å; T65-K67 PolarHBondContact O-N 2.87Å; K67-Q69 HydrophobicContact CB-CB 4.16Å; K67-Q69 HydrophobicContact CB-CG 4.07Å; K67-Q69 PolarHBondContact O-N 3.23Å
68	N	96.1	Very high	96.7	Very high	36 Å²	36	46 Å²	46	19%	0.193	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	42.2	-172	-155.9	40	0	0	0	112.5	V16 Y19 S20 I21 D64 T65	V16-N68 PolarHBondContact N-O 3.08Å; V16-N68 PolarHBondContact O-ND2 3.48Å; Y19-N68 PolarHBondContact O-ND2 3.23Å; S20-N68 WeakPolarHBondContact CA-OD1 3.38Å; I21-N68 WeakPolarHBondContact CG2-OD1 3.29Å; I21-N68 PolarHBondContact N-OD1 2.84Å; D64-N68 PolarHBondContact O-N 3.14Å; D64-N68 VanDerWaalsContact O-N 3.12Å; T65-N68 PolarHBondContact O-N 3.41Å
69	Q	97.2	Very high	96.6	Very high	43 Å²	43	47 Å²	47	20%	0.201	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	149.9	-175.5	-78.8	173.6	-6	0	0	112	T13 C14 S15 I21 R63 D64 K67 Y71	T13-Q69 HydrophobicContact CG2-CB 4.42Å; T13-Q69 HydrophobicContact CG2-CG 4.12Å; C14-Q69 WeakPolarHBondContact O-CA 3.42Å; S15-Q69 WeakPolarHBondContact OG-CG 3.29Å; S15-Q69 PolarHBondContact OG-NE2 2.87Å; I21-Q69 WeakPolarHBondContact CD1-O 3.37Å; R63-Q69 WeakPolarHBondContact CA-O 3.4Å; D64-Q69 PolarHBondContact N-O 3.04Å; D64-Q69 PolarHBondContact O-N 2.89Å; D64-Q69 VanDerWaalsContact O-N 3.08Å; K67-Q69 HydrophobicContact CB-CB 4.16Å; K67-Q69 HydrophobicContact CB-CG 4.07Å; K67-Q69 PolarHBondContact O-N 3.23Å; Q69-Y71 HydrophobicContact CB-CE1 4.15Å; Q69-Y71 HydrophobicContact CB-CE2 4.27Å; Q69-Y71 WeakPolarHBondContact CB-OH 3.5Å; Q69-Y71 PolarHBondContact OE1-OH 2.84Å
70	Y	96.9	Very high	96.4	Very high	1 Å²	1	53.8 Å²	53.8	0%	0.004	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	153.8	167.5	73.3	-77.9	0	0	0	111	C14 V16 I21 W26 N27 W28 I43 T62 C87 A88	C14-Y70 HydrophobicContact CB-CD1 3.92Å; C14-Y70 HydrophobicContact CB-CE1 3.5Å; C14-Y70 VanDerWaalsContact CB-CE1 3.5Å; C14-Y70 HydrophobicContact CB-CE2 4.42Å; C14-Y70 PolarHBondContact N-O 2.84Å; C14-Y70 PolarHBondContact O-N 2.95Å; V16-Y70 HydrophobicContact CG2-CD1 4.18Å; V16-Y70 HydrophobicContact CG2-CE1 3.98Å; I21-Y70 HydrophobicContact CG2-CD1 4.43Å; W26-Y70 HydrophobicContact CB-CD1 4.08Å; W26-Y70 HydrophobicContact CB-CD2 4.02Å; W26-Y70 HydrophobicContact CB-CE1 3.86Å; W26-Y70 HydrophobicContact CB-CE2 3.8Å; W26-Y70 HydrophobicContact CB-CG 4.12Å; W26-Y70 HydrophobicContact CD2-CE1 4.19Å; W26-Y70 AromaticContact CE3-CE1 3.8Å; W26-Y70 HydrophobicContact CE3-CE1 3.8Å; W26-Y70 HydrophobicContact CG-CD1 4.36Å; W26-Y70 HydrophobicContact CG-CE1 4.23Å; N27-Y70 PolarHBondContact O-OH 3.04Å; W28-Y70 AromaticContact CD1-CE2 3.69Å; W28-Y70 HydrophobicContact CD2-CE2 4.31Å; W28-Y70 AromaticContact CE2-CD2 3.95Å; W28-Y70 AromaticContact CE2-CE2 3.63Å; W28-Y70 HydrophobicContact CG-CE2 4.34Å; W28-Y70 HydrophobicContact CZ2-CD2 4.32Å; W28-Y70 HydrophobicContact CZ2-CE2 4.14Å; W28-Y70 AromaticContact NE1-CD2 3.27Å; W28-Y70 VanDerWaalsContact NE1-CD2 3.27Å; W28-Y70 AromaticContact NE1-CE2 3.2Å; I43-Y70 HydrophobicContact CG2-CD2 4.29Å; T62-Y70 CarbonylContact O-C 3.56Å; T62-Y70 WeakPolarHBondContact O-CA 3.47Å; T62-Y70 WeakPolarHBondContact O-CB 3.37Å; Y70-C87 HydrophobicContact CE1-CB 4.11Å; Y70-C87 HydrophobicContact CE2-CB 4.39Å; Y70-C87 WeakPolarHBondContact OH-CA 3.35Å; Y70-C87 WeakPolarHBondContact OH-CB 3.3Å; Y70-A88 PolarHBondContact OH-N 3.36Å
71	Y	97.6	Very high	96.3	Very high	41 Å²	41	52.1 Å²	52.1	16%	0.161	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.9	-164.1	-46.4	-84.5	0	0	0	110.9	L12 T13 I61 T62 D64 Q69	L12-Y71 CarbonylContact O-C 3.6Å; L12-Y71 WeakPolarHBondContact O-CA 3.43Å; T13-Y71 HydrophobicContact CG2-CD1 3.82Å; T13-Y71 HydrophobicContact CG2-CE1 3.52Å; T13-Y71 WeakPolarHBondContact OG1-CD1 3.35Å; I61-Y71 VanDerWaalsContact CA-O 3.32Å; I61-Y71 WeakPolarHBondContact CA-O 3.45Å; I61-Y71 WeakPolarHBondContact CG2-O 3.43Å; T62-Y71 PolarHBondContact N-O 2.81Å; T62-Y71 VanDerWaalsContact N-O 3.09Å; T62-Y71 PolarHBondContact O-N 3.16Å; D64-Y71 HydrophobicContact CB-CE2 3.75Å; Q69-Y71 HydrophobicContact CB-CE1 4.15Å; Q69-Y71 HydrophobicContact CB-CE2 4.27Å; Q69-Y71 WeakPolarHBondContact CB-OH 3.5Å; Q69-Y71 PolarHBondContact OE1-OH 2.84Å
72	L	98.2	Very high	96.2	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.5	168	170.6	68.7	0	0	0	108.3	S11 L12 W28 M40 I59 I61 Y85	S11-L72 CarbonylContact C-O 3.52Å; S11-L72 WeakPolarHBondContact CA-O 3.29Å; L12-L72 HydrophobicContact CB-CB 4.39Å; L12-L72 HydrophobicContact CD1-CD2 4.24Å; L12-L72 PolarHBondContact N-O 2.98Å; L12-L72 PolarHBondContact O-N 3.37Å; W28-L72 HydrophobicContact CB-CD2 4.22Å; W28-L72 HydrophobicContact CD2-CB 3.64Å; W28-L72 HydrophobicContact CD2-CD2 3.9Å; W28-L72 HydrophobicContact CD2-CG 4.36Å; W28-L72 VanDerWaalsContact CE2-CB 3.4Å; W28-L72 HydrophobicContact CE3-CB 4.26Å; W28-L72 HydrophobicContact CE3-CD2 3.98Å; W28-L72 HydrophobicContact CG-CB 3.91Å; W28-L72 HydrophobicContact CG-CD2 4.01Å; W28-L72 HydrophobicContact CG-CG 4.38Å; W28-L72 HydrophobicContact CH2-CB 4.43Å; W28-L72 HydrophobicContact CZ2-CB 3.84Å; M40-L72 HydrophobicContact CE-CD1 4.27Å; M40-L72 HydrophobicContact CE-CD2 3.7Å; M40-L72 HydrophobicContact SD-CD2 3.7Å; I59-L72 HydrophobicContact CB-CD1 4.08Å; I59-L72 HydrophobicContact CG2-CD1 4.23Å; I61-L72 HydrophobicContact CG1-CD1 3.99Å; L72-Y85 HydrophobicContact CD2-CD1 4Å; L72-Y85 HydrophobicContact CD2-CE1 4.35Å
73	Q	97.7	Very high	96.2	Very high	81 Å²	81	50.3 Å²	50.3	38%	0.379	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.9	166.2	-169	177.2	53.3	0	0	108.4	T9 L10 I59 S60	T9-Q73 HydrophobicContact CG2-CG 3.29Å; L10-Q73 CarbonylContact O-C 3.56Å; L10-Q73 WeakPolarHBondContact O-CA 3.45Å; I59-Q73 CarbonylContact C-O 3.36Å; I59-Q73 VanDerWaalsContact CA-O 3.24Å; I59-Q73 WeakPolarHBondContact CA-O 3.12Å; S60-Q73 PolarHBondContact N-O 2.86Å; S60-Q73 PolarHBondContact O-N 2.92Å
74	L	97.2	Very high	96.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	112.9	173.2	174.8	65.3	0	0	0	108.3	T9 L10 R58 I59 V77 D81	T9-L74 WeakPolarHBondContact CA-O 3.05Å; L10-L74 HydrophobicContact CB-CB 4.39Å; L10-L74 PolarHBondContact N-O 2.83Å; L10-L74 PolarHBondContact O-N 2.9Å; R58-L74 HydrophobicContact CB-CD1 3.89Å; I59-L74 HydrophobicContact CG2-CB 4.47Å; I59-L74 HydrophobicContact CG2-CD1 3.49Å; I59-L74 VanDerWaalsContact CG2-CD1 3.49Å; L74-V77 HydrophobicContact CB-CG1 4.46Å; L74-V77 HydrophobicContact CD2-CG1 3.95Å; L74-V77 HydrophobicContact CG-CG1 3.93Å; L74-D81 HydrophobicContact CD2-CB 3.96Å
75	N	96.3	Very high	96.2	Very high	49 Å²	49	46.8 Å²	46.8	26%	0.262	26%	0.257	S	S	.	.			trans	-87.5	150.4	-176.8	-65.2	-41.5	0	0	0	111.7	T9 R58 V77	T9-N75 WeakPolarHBondContact CG2-OD1 3.25Å; T9-N75 PolarHBondContact OG1-OD1 3.42Å; R58-N75 PolarHBondContact O-N 3.5Å; N75-V77 PolarHBondContact O-N 2.91Å
76	S	94.1	Very high	96.3	Very high	72 Å²	72	45.1 Å²	45.1	50%	0.503	24%	0.242	S	C	.	.	S	Bend	trans	52.6	56.3	175.4	-54.2	0	0	0	0	111.8	Q8 R58	Q8-S76 PolarHBondContact O-N 3.19Å; R58-S76 PolarHBondContact NH1-O 3.03Å
77	V	95.3	Very high	96.3	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	21%	0.214	C	C	.	.			trans	-62.7	143.8	-178.1	-62.8	0	0	0	0	111.7	A4 K5 P6 S7 Q8 L10 L74 N75 D81 V109	A4-V77 HydrophobicContact CB-CG2 4.31Å; K5-V77 WeakPolarHBondContact O-CG2 3.42Å; P6-V77 CarbonylContact C-O 3.59Å; P6-V77 VanDerWaalsContact CA-O 3.32Å; P6-V77 WeakPolarHBondContact CA-O 3.42Å; S7-V77 PolarHBondContact N-O 2.91Å; Q8-V77 HydrophobicContact CB-CG2 4.49Å; Q8-V77 WeakPolarHBondContact O-CG2 3.1Å; Q8-V77 PolarHBondContact O-N 2.92Å; L10-V77 HydrophobicContact CB-CG1 3.74Å; L74-V77 HydrophobicContact CB-CG1 4.46Å; L74-V77 HydrophobicContact CD2-CG1 3.95Å; L74-V77 HydrophobicContact CG-CG1 3.93Å; N75-V77 PolarHBondContact O-N 2.91Å; V77-D81 VanDerWaalsContact CA-OD2 3.28Å; V77-D81 WeakPolarHBondContact CA-OD2 3.24Å; V77-D81 HydrophobicContact CB-CB 4.38Å; V77-V109 HydrophobicContact CB-CG1 4.46Å; V77-V109 HydrophobicContact CB-CG2 4.16Å; V77-V109 HydrophobicContact CG2-CG1 3.92Å; V77-V109 HydrophobicContact CG2-CG2 4.09Å
78	T	94.6	Very high	96.1	Very high	54 Å²	54	35.2 Å²	35.2	33%	0.331	19%	0.188	S	C	.	.			trans	-118	171.9	173.4	70	0	0	0	0	110.1	E80 D81 V109	T78-E80 PolarHBondContact O-N 3.09Å; T78-E80 WeakPolarHBondContact OG1-CB 3.39Å; T78-E80 PolarHBondContact OG1-N 2.82Å; T78-D81 PolarHBondContact N-OD2 2.88Å; T78-D81 WeakPolarHBondContact O-CB 3.09Å; T78-D81 PolarHBondContact O-N 2.89Å; T78-V109 VanDerWaalsContact O-CB 3.28Å; T78-V109 WeakPolarHBondContact O-CB 3.27Å; T78-V109 WeakPolarHBondContact O-CG1 3.28Å; T78-V109 WeakPolarHBondContact O-CG2 3.38Å
79	T	93.6	Very high	95.9	Very high	78 Å²	78	34.4 Å²	34.4	48%	0.479	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-56.8	-29.5	173.8	48.9	0	0	0	0	112.3	D81 T82	T79-D81 PolarHBondContact O-N 3.09Å; T79-T82 VanDerWaalsContact O-CB 3.25Å; T79-T82 WeakPolarHBondContact O-CB 3.2Å; T79-T82 PolarHBondContact O-N 2.94Å; T79-T82 VanDerWaalsContact O-N 3.14Å; T79-T82 PolarHBondContact O-OG1 2.77Å
80	E	93.3	Very high	95.3	Very high	151 Å²	151	35 Å²	35	71%	0.706	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-66	-20.6	175.3	-56.4	179.8	169.8	0	0	112.9	F32 T78 T82	F32-E80 VanDerWaalsContact CE1-O 3.29Å; F32-E80 WeakPolarHBondContact CE1-O 3.45Å; T78-E80 PolarHBondContact O-N 3.09Å; T78-E80 WeakPolarHBondContact OG1-CB 3.39Å; T78-E80 PolarHBondContact OG1-N 2.82Å; E80-T82 PolarHBondContact O-N 3.39Å
81	D	95.6	Very high	94.1	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-82.3	4.9	176	-60.4	-50.9	0	0	0	112.6	R30 R58 L74 V77 T78 T79 A83 Y85 V109	R30-D81 IonicContact CZ-OD1 2.63Å; R30-D81 IonicContact NH1-OD1 2.68Å; R30-D81 PolarHBondContact NH1-OD1 2.9Å; R30-D81 IonicContact NH2-OD1 3.35Å; R58-D81 IonicContact CZ-OD1 3.34Å; R58-D81 IonicContact CZ-OD2 3.65Å; R58-D81 IonicContact NH1-OD1 3.82Å; R58-D81 PolarHBondContact NH1-OD1 3.03Å; R58-D81 IonicContact NH1-OD2 3.72Å; R58-D81 PolarHBondContact NH1-OD2 2.95Å; R58-D81 IonicContact NH2-OD1 3.45Å; R58-D81 PolarHBondContact NH2-OD1 3.05Å; R58-D81 IonicContact NH2-OD2 3.63Å; L74-D81 HydrophobicContact CD2-CB 3.96Å; V77-D81 VanDerWaalsContact CA-OD2 3.28Å; V77-D81 WeakPolarHBondContact CA-OD2 3.24Å; V77-D81 HydrophobicContact CB-CB 4.38Å; T78-D81 PolarHBondContact N-OD2 2.88Å; T78-D81 WeakPolarHBondContact O-CB 3.09Å; T78-D81 PolarHBondContact O-N 2.89Å; T79-D81 PolarHBondContact O-N 3.09Å; D81-A83 PolarHBondContact O-N 2.76Å; D81-Y85 PolarHBondContact O-OH 3.06Å; D81-V109 HydrophobicContact CB-CG2 4.48Å
82	T	96.3	Very high	92.5	Very high	32 Å²	32	36 Å²	36	20%	0.196	19%	0.194	C	C	.	.			trans	-65.4	112	170.8	-65.3	0	0	0	0	110.5	P33 T79 E80 V107 T108 V109	P33-T82 WeakPolarHBondContact CD-O 3.34Å; T79-T82 VanDerWaalsContact O-CB 3.25Å; T79-T82 WeakPolarHBondContact O-CB 3.2Å; T79-T82 PolarHBondContact O-N 2.94Å; T79-T82 VanDerWaalsContact O-N 3.14Å; T79-T82 PolarHBondContact O-OG1 2.77Å; E80-T82 PolarHBondContact O-N 3.39Å; T82-V107 WeakPolarHBondContact CA-O 3.44Å; T82-T108 HydrophobicContact CG2-CG2 4.43Å; T82-V109 PolarHBondContact OG1-N 3.01Å; T82-V109 PolarHBondContact OG1-O 2.69Å
83	A	97.3	Very high	91	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.033	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	168.4	-175.2	0	0	0	0	0	111.4	R30 K31 F32 D81 Y85 V107	R30-A83 HydrophobicContact CB-CB 3.94Å; R30-A83 HydrophobicContact CG-CB 4.44Å; K31-A83 WeakPolarHBondContact O-CA 3.35Å; K31-A83 WeakPolarHBondContact O-CB 3.36Å; F32-A83 HydrophobicContact CD1-CB 4.11Å; F32-A83 HydrophobicContact CE1-CB 4.36Å; D81-A83 PolarHBondContact O-N 2.76Å; A83-Y85 HydrophobicContact CB-CD2 4.36Å; A83-Y85 HydrophobicContact CB-CE2 3.86Å; A83-Y85 WeakPolarHBondContact O-CD2 3.46Å; A83-V107 PolarHBondContact N-O 3.03Å; A83-V107 VanDerWaalsContact N-O 3.08Å; A83-V107 PolarHBondContact O-N 3.4Å
84	T	97.8	Very high	89.4	Confident	34 Å²	34	47 Å²	47	21%	0.209	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	124.1	160.5	-53.3	0	0	0	0	109.6	R30 K31 Y86 T105	R30-T84 CarbonylContact C-O 3.4Å; R30-T84 WeakPolarHBondContact CA-O 3.43Å; K31-T84 PolarHBondContact N-O 2.73Å; K31-T84 PolarHBondContact O-N 2.91Å; T84-Y86 HydrophobicContact CG2-CD2 4.27Å; T84-Y86 HydrophobicContact CG2-CE1 4.07Å; T84-Y86 HydrophobicContact CG2-CE2 3.48Å; T84-Y86 VanDerWaalsContact CG2-CE2 3.48Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.49Å; T84-Y86 WeakPolarHBondContact O-CD2 3.41Å; T84-Y86 WeakPolarHBondContact O-CE2 3.17Å; T84-T105 WeakPolarHBondContact CA-O 3.49Å
85	Y	97.6	Very high	87.7	Confident	1 Å²	1	52.8 Å²	52.8	0%	0.004	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.8	-177.3	-68.4	-100.6	0	0	0	110	L10 L12 R30 M40 L72 D81 A83 G104 T105 V107	L10-Y85 HydrophobicContact CD2-CE1 4.49Å; L10-Y85 HydrophobicContact CD2-CE2 4.16Å; L12-Y85 VanDerWaalsContact CD1-CB 3.41Å; L12-Y85 HydrophobicContact CD1-CD1 3.65Å; L12-Y85 HydrophobicContact CD1-CD2 4Å; L12-Y85 HydrophobicContact CD1-CE1 4.41Å; L12-Y85 HydrophobicContact CD1-CG 3.4Å; L12-Y85 VanDerWaalsContact CD1-CG 3.4Å; R30-Y85 HydrophobicContact CB-CD1 3.85Å; R30-Y85 HydrophobicContact CB-CE1 3.89Å; R30-Y85 HydrophobicContact CB-CG 4.3Å; R30-Y85 HydrophobicContact CG-CE1 4.49Å; R30-Y85 PolarHBondContact NH1-OH 3.19Å; M40-Y85 HydrophobicContact CE-CD1 4.46Å; M40-Y85 HydrophobicContact CE-CE1 3.91Å; M40-Y85 HydrophobicContact SD-CD1 3.75Å; M40-Y85 HydrophobicContact SD-CE1 3.69Å; L72-Y85 HydrophobicContact CD2-CD1 4Å; L72-Y85 HydrophobicContact CD2-CE1 4.35Å; D81-Y85 PolarHBondContact O-OH 3.06Å; A83-Y85 HydrophobicContact CB-CD2 4.36Å; A83-Y85 HydrophobicContact CB-CE2 3.86Å; A83-Y85 WeakPolarHBondContact O-CD2 3.46Å; Y85-G104 CarbonylContact O-C 3.54Å; Y85-G104 VanDerWaalsContact O-CA 3.24Å; Y85-G104 WeakPolarHBondContact O-CA 3.45Å; Y85-T105 PolarHBondContact N-O 3.28Å; Y85-T105 PolarHBondContact O-N 3.43Å; Y85-V107 HydrophobicContact CD2-CB 4.09Å; Y85-V107 HydrophobicContact CD2-CG2 3.92Å; Y85-V107 HydrophobicContact CE2-CB 3.9Å; Y85-V107 HydrophobicContact CE2-CG2 4.16Å
86	Y	96.9	Very high	86.1	Confident	43 Å²	43	61.1 Å²	61.1	17%	0.169	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	137.3	-177.6	-61.5	-91.8	0	0	0	110.1	W28 I29 K31 T84 W101 G102	W28-Y86 WeakPolarHBondContact CA-O 3.47Å; I29-Y86 PolarHBondContact N-O 3.05Å; I29-Y86 PolarHBondContact O-N 2.86Å; K31-Y86 HydrophobicContact CB-CD2 4.28Å; K31-Y86 HydrophobicContact CB-CE2 3.6Å; K31-Y86 HydrophobicContact CD-CE2 4.24Å; T84-Y86 HydrophobicContact CG2-CD2 4.27Å; T84-Y86 HydrophobicContact CG2-CE1 4.07Å; T84-Y86 HydrophobicContact CG2-CE2 3.48Å; T84-Y86 VanDerWaalsContact CG2-CE2 3.48Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.49Å; T84-Y86 WeakPolarHBondContact O-CD2 3.41Å; T84-Y86 WeakPolarHBondContact O-CE2 3.17Å; Y86-W101 HydrophobicContact CD1-CE3 4.03Å; Y86-W101 HydrophobicContact CD2-CZ3 4.27Å; Y86-W101 AromaticContact CG-CE3 3.84Å; Y86-W101 HydrophobicContact CG-CE3 3.84Å; Y86-W101 AromaticContact CG-CZ3 3.96Å; Y86-W101 HydrophobicContact CG-CZ3 3.96Å; Y86-G102 WeakPolarHBondContact CD1-O 3.4Å
87	C	95.2	Very high	84.6	Confident	16 Å²	16	59.5 Å²	59.5	11%	0.108	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	144.9	157.3	34.5	0	0	0	0	110.4	C14 N27 Y70 W101 G102	C14-C87 HydrophobicContact CB-CB 3.43Å; C14-C87 VanDerWaalsContact CB-CB 3.43Å; C14-C87 WeakPolarHBondContact CB-SG 3.49Å; C14-C87 WeakPolarHBondContact SG-CB 3.2Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 2.84Å; N27-C87 WeakPolarHBondContact O-CA 3.32Å; Y70-C87 HydrophobicContact CE1-CB 4.11Å; Y70-C87 HydrophobicContact CE2-CB 4.39Å; Y70-C87 WeakPolarHBondContact OH-CA 3.35Å; Y70-C87 WeakPolarHBondContact OH-CB 3.3Å; C87-W101 CarbonylContact O-C 3.6Å; C87-W101 WeakPolarHBondContact O-CA 3.35Å; C87-G102 PolarHBondContact O-N 3.46Å
88	A	93.5	Very high	83.7	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	160.8	175.6	0	0	0	0	0	112.2	N27 I29 Y70 M98 Y100 W101	N27-A88 HydrophobicContact CB-CB 4.39Å; N27-A88 WeakPolarHBondContact CB-O 3.44Å; N27-A88 PolarHBondContact N-O 3.37Å; N27-A88 PolarHBondContact ND2-O 3.05Å; N27-A88 PolarHBondContact O-N 3.08Å; I29-A88 HydrophobicContact CD1-CB 3.66Å; Y70-A88 PolarHBondContact OH-N 3.36Å; A88-M98 HydrophobicContact CB-CE 4.38Å; A88-M98 HydrophobicContact CB-CG 3.65Å; A88-M98 HydrophobicContact CB-SD 3.29Å; A88-M98 WeakPolarHBondContact CB-SD 3.45Å; A88-Y100 CarbonylContact C-O 3.53Å; A88-Y100 WeakPolarHBondContact CA-O 3.38Å; A88-Y100 VanDerWaalsContact CB-O 3.3Å; A88-Y100 WeakPolarHBondContact CB-O 3.33Å; A88-W101 HydrophobicContact CB-CD2 4.12Å; A88-W101 HydrophobicContact CB-CG 4.27Å
89	R	91.3	Very high	82.8	Confident	19 Å²	19	63.2 Å²	63.2	7%	0.072	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	136.1	-177.8	-171.5	179.1	83.4	157.8	-12.8	111.7	D24 Y25 W26 L91 M98 D99 Y100	D24-R89 HydrophobicContact CB-CG 3.87Å; D24-R89 WeakPolarHBondContact OD2-CD 3.48Å; D24-R89 IonicContact OD2-CZ 2.7Å; D24-R89 IonicContact OD2-NE 3.68Å; D24-R89 IonicContact OD2-NH1 2.7Å; D24-R89 PolarHBondContact OD2-NH1 2.93Å; Y25-R89 WeakPolarHBondContact O-CA 3.47Å; W26-R89 HydrophobicContact CE3-CB 4.2Å; W26-R89 HydrophobicContact CE3-CG 4.33Å; W26-R89 HydrophobicContact CH2-CB 4.29Å; W26-R89 HydrophobicContact CH2-CG 3.93Å; W26-R89 HydrophobicContact CZ2-CG 4.26Å; W26-R89 HydrophobicContact CZ3-CB 3.85Å; W26-R89 HydrophobicContact CZ3-CG 3.96Å; R89-L91 VanDerWaalsContact CZ-CD2 3.48Å; R89-M98 WeakPolarHBondContact O-CA 3.32Å; R89-M98 WeakPolarHBondContact O-CG 3.16Å; R89-D99 IonicContact CZ-OD1 2.81Å; R89-D99 IonicContact CZ-OD2 3.8Å; R89-D99 IonicContact NE-OD1 3.73Å; R89-D99 PolarHBondContact NE-OD1 3.18Å; R89-D99 IonicContact NE-OD2 3.55Å; R89-D99 PolarHBondContact NE-OD2 3.33Å; R89-D99 IonicContact NH2-OD1 2.74Å; R89-D99 IonicContact NH2-OD2 3.02Å; R89-D99 PolarHBondContact NH2-OD2 2.84Å; R89-D99 PolarHBondContact O-N 2.84Å; R89-Y100 PolarHBondContact N-O 3.25Å
90	W	85.9	Confident	82.3	Confident	55 Å²	55	63.1 Å²	63.1	21%	0.208	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134.5	161.6	-72.2	-19.1	0	0	0	109.5	D24 Y25 N27 Y39 Y42 M98	D24-W90 WeakPolarHBondContact CB-O 3.43Å; Y25-W90 PolarHBondContact N-O 3.35Å; Y25-W90 PolarHBondContact O-N 2.82Å; N27-W90 PolarHBondContact ND2-N 2.68Å; Y39-W90 AromaticContact CE2-CH2 3.99Å; Y39-W90 HydrophobicContact CE2-CH2 3.99Å; Y39-W90 HydrophobicContact CE2-CZ2 4.34Å; Y42-W90 HydrophobicContact CD1-CZ3 4.22Å; W90-M98 HydrophobicContact CG-SD 4.41Å; W90-M98 PolarHBondContact NE1-SD 3.2Å
91	L	70.8	Confident	82.2	Confident	49 Å²	49	60.6 Å²	60.6	26%	0.257	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	131.5	175.2	-66.7	175.9	0	0	0	109.5	R89 W93 D94	R89-L91 VanDerWaalsContact CZ-CD2 3.48Å; L91-W93 PolarHBondContact O-N 3.27Å; L91-D94 HydrophobicContact CB-CB 4.37Å; L91-D94 CarbonylContact O-C 3.52Å; L91-D94 PolarHBondContact O-N 2.79Å; L91-D94 VanDerWaalsContact O-N 3.09Å
92	A	65.3	Low	81.9	Confident	16 Å²	16	61 Å²	61	13%	0.132	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.3	-178.7	0	0	0	0	0	114.3	D24 Y25 Y45	D24-A92 PolarHBondContact OD1-N 3.37Å; Y25-A92 HydrophobicContact CD2-CB 3.95Å; Y25-A92 HydrophobicContact CE2-CB 3.59Å; Y45-A92 HydrophobicContact CD1-CB 4.49Å; Y45-A92 HydrophobicContact CE1-CB 4.42Å
93	W	66.3	Low	81.7	Confident	241 Å²	241	68.3 Å²	68.3	91%	0.913	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-10.5	-178	-42.2	95.3	0	0	0	113.2	L91	L91-W93 PolarHBondContact O-N 3.27Å
94	D	64.1	Low	81.6	Confident	71 Å²	71	69.4 Å²	69.4	38%	0.38	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	89.2	179.5	-171.2	-0.9	0	0	0	110.4	L91 Y96	L91-D94 HydrophobicContact CB-CB 4.37Å; L91-D94 CarbonylContact O-C 3.52Å; L91-D94 PolarHBondContact O-N 2.79Å; L91-D94 VanDerWaalsContact O-N 3.09Å; D94-Y96 PolarHBondContact O-N 3.31Å; D94-Y96 VanDerWaalsContact O-N 3.14Å; D94-Y96 PolarHBondContact OD1-N 2.89Å
95	Y	60.8	Low	81.5	Confident	121 Å²	121	70.6 Å²	70.6	48%	0.475	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	-6.7	-179.4	-73.9	-88.6	0	0	0	113.8	Y25	Y25-Y95 HydrophobicContact CE2-CE1 4.27Å; Y25-Y95 PolarHBondContact OH-OH 3.05Å
96	Y	61.8	Low	81.4	Confident	224 Å²	224	72.9 Å²	72.9	88%	0.878	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	-10.5	-171.8	-60.6	-76	0	0	0	113.8	D94	D94-Y96 PolarHBondContact O-N 3.31Å; D94-Y96 VanDerWaalsContact O-N 3.14Å; D94-Y96 PolarHBondContact OD1-N 2.89Å
97	A	64.3	Low	81.4	Confident	39 Å²	39	70.9 Å²	70.9	32%	0.322	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.4	-177.9	0	0	0	0	0	112.6
98	M	75.6	Confident	81.4	Confident	55 Å²	55	73 Å²	73	27%	0.271	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	95	167.9	-164.9	129.6	56.2	0	0	108.6	N27 I29 A88 R89 W90 W101	N27-M98 HydrophobicContact CB-SD 4.35Å; I29-M98 HydrophobicContact CD1-CE 3.3Å; I29-M98 HydrophobicContact CD1-SD 3.72Å; I29-M98 HydrophobicContact CG1-CE 4.39Å; A88-M98 HydrophobicContact CB-CE 4.38Å; A88-M98 HydrophobicContact CB-CG 3.65Å; A88-M98 HydrophobicContact CB-SD 3.29Å; A88-M98 WeakPolarHBondContact CB-SD 3.45Å; R89-M98 WeakPolarHBondContact O-CA 3.32Å; R89-M98 WeakPolarHBondContact O-CG 3.16Å; W90-M98 HydrophobicContact CG-SD 4.41Å; W90-M98 PolarHBondContact NE1-SD 3.2Å; M98-W101 HydrophobicContact CE-CH2 4.35Å; M98-W101 HydrophobicContact CE-CZ2 3.65Å
99	D	75.9	Confident	81.3	Confident	78 Å²	78	73.3 Å²	73.3	42%	0.417	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-22.4	-166.7	65.9	-16	0	0	0	113.6	R89	R89-D99 IonicContact CZ-OD1 2.81Å; R89-D99 IonicContact CZ-OD2 3.8Å; R89-D99 IonicContact NE-OD1 3.73Å; R89-D99 PolarHBondContact NE-OD1 3.18Å; R89-D99 IonicContact NE-OD2 3.55Å; R89-D99 PolarHBondContact NE-OD2 3.33Å; R89-D99 IonicContact NH2-OD1 2.74Å; R89-D99 IonicContact NH2-OD2 3.02Å; R89-D99 PolarHBondContact NH2-OD2 2.84Å; R89-D99 PolarHBondContact O-N 2.84Å
100	Y	83.2	Confident	81.1	Confident	76 Å²	76	73.8 Å²	73.8	30%	0.298	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.8	178	179.9	-96.7	0	0	0	112.5	A88 R89	A88-Y100 CarbonylContact C-O 3.53Å; A88-Y100 WeakPolarHBondContact CA-O 3.38Å; A88-Y100 VanDerWaalsContact CB-O 3.3Å; A88-Y100 WeakPolarHBondContact CB-O 3.33Å; R89-Y100 PolarHBondContact N-O 3.25Å
101	W	90.1	Very high	80.7	Confident	98 Å²	98	76 Å²	76	37%	0.371	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135	170	-72	68.6	0	0	0	109.7	I29 L37 Y86 C87 A88 M98	I29-W101 HydrophobicContact CB-CH2 4.3Å; I29-W101 HydrophobicContact CB-CZ3 4.19Å; I29-W101 HydrophobicContact CD1-CE3 4.48Å; I29-W101 HydrophobicContact CD1-CH2 3.6Å; I29-W101 HydrophobicContact CD1-CZ2 3.97Å; I29-W101 HydrophobicContact CD1-CZ3 3.87Å; I29-W101 HydrophobicContact CG1-CH2 4.39Å; I29-W101 HydrophobicContact CG2-CH2 3.97Å; I29-W101 HydrophobicContact CG2-CZ3 4.1Å; L37-W101 HydrophobicContact CD1-CH2 4.42Å; Y86-W101 HydrophobicContact CD1-CE3 4.03Å; Y86-W101 HydrophobicContact CD2-CZ3 4.27Å; Y86-W101 AromaticContact CG-CE3 3.84Å; Y86-W101 HydrophobicContact CG-CE3 3.84Å; Y86-W101 AromaticContact CG-CZ3 3.96Å; Y86-W101 HydrophobicContact CG-CZ3 3.96Å; C87-W101 CarbonylContact O-C 3.6Å; C87-W101 WeakPolarHBondContact O-CA 3.35Å; A88-W101 HydrophobicContact CB-CD2 4.12Å; A88-W101 HydrophobicContact CB-CG 4.27Å; M98-W101 HydrophobicContact CE-CH2 4.35Å; M98-W101 HydrophobicContact CE-CZ2 3.65Å
102	G	90.6	Very high	80.7	Confident	8 Å²	8	81 Å²	81	8%	0.082	40%	0.402	C	S	.	.			trans	-68.8	166.4	167.4	0	0	0	0	0	111.6	Y86 C87 G104	Y86-G102 WeakPolarHBondContact CD1-O 3.4Å; C87-G102 PolarHBondContact O-N 3.46Å; G102-G104 PolarHBondContact O-N 3.12Å; G102-G104 VanDerWaalsContact O-N 3.12Å
103	Q	92.6	Very high	80.4	Confident	186 Å²	186	85 Å²	85	87%	0.869	43%	0.43	S	S	*	.			trans	-63.1	-19.1	180	-64.7	-61.8	-42	0	0	113.8
104	G	93.9	Very high	79.8	Confident	27 Å²	27	80 Å²	80	28%	0.278	42%	0.416	S	S	.	.			trans	84.8	148.3	-179.2	0	0	0	0	0	113.3	Y85 G102	Y85-G104 CarbonylContact O-C 3.54Å; Y85-G104 VanDerWaalsContact O-CA 3.24Å; Y85-G104 WeakPolarHBondContact O-CA 3.45Å; G102-G104 PolarHBondContact O-N 3.12Å; G102-G104 VanDerWaalsContact O-N 3.12Å
105	T	96.1	Very high	78.9	Confident	59 Å²	59	85.5 Å²	85.5	36%	0.362	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	111.6	177.4	-61	0	0	0	0	108.9	L12 T84 Y85 V107	L12-T105 HydrophobicContact CD2-CG2 3.93Å; T84-T105 WeakPolarHBondContact CA-O 3.49Å; Y85-T105 PolarHBondContact N-O 3.28Å; Y85-T105 PolarHBondContact O-N 3.43Å; T105-V107 HydrophobicContact CG2-CG2 4.21Å; T105-V107 PolarHBondContact O-N 2.74Å
106	S	96.1	Very high	79.8	Confident	49 Å²	49	83.7 Å²	83.7	34%	0.343	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	127.1	173.7	-169.5	0	0	0	0	110.1	P1 G2	P1-S106 CarbonylContact C-O 3.58Å; P1-S106 WeakPolarHBondContact CA-O 2.85Å; G2-S106 PolarHBondContact N-O 3.38Å
107	V	95.8	Very high	80.7	Confident	2 Å²	2	76.3 Å²	76.3	1%	0.012	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.9	174.6	180	0	0	0	0	109.2	G2 L10 L12 T82 A83 Y85 T105 V109	G2-V107 CarbonylContact O-C 3.5Å; G2-V107 VanDerWaalsContact O-CA 3.3Å; G2-V107 WeakPolarHBondContact O-CA 3.47Å; L10-V107 HydrophobicContact CD1-CG1 4.06Å; L10-V107 HydrophobicContact CD1-CG2 4.1Å; L10-V107 HydrophobicContact CD2-CB 4.41Å; L10-V107 HydrophobicContact CD2-CG1 4Å; L10-V107 HydrophobicContact CD2-CG2 4.15Å; L12-V107 HydrophobicContact CD2-CG2 4.19Å; T82-V107 WeakPolarHBondContact CA-O 3.44Å; A83-V107 PolarHBondContact N-O 3.03Å; A83-V107 VanDerWaalsContact N-O 3.08Å; A83-V107 PolarHBondContact O-N 3.4Å; Y85-V107 HydrophobicContact CD2-CB 4.09Å; Y85-V107 HydrophobicContact CD2-CG2 3.92Å; Y85-V107 HydrophobicContact CE2-CB 3.9Å; Y85-V107 HydrophobicContact CE2-CG2 4.16Å; T105-V107 HydrophobicContact CG2-CG2 4.21Å; T105-V107 PolarHBondContact O-N 2.74Å; V107-V109 HydrophobicContact CG1-CG2 4.44Å
108	T	95.1	Very high	81.7	Confident	61 Å²	61	78.4 Å²	78.4	37%	0.374	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129	173.8	-57.1	0	0	0	0	108.8	G2 L3 A4 T82	G2-T108 PolarHBondContact O-N 2.81Å; L3-T108 WeakPolarHBondContact CA-O 3.35Å; L3-T108 HydrophobicContact CD1-CG2 4.32Å; A4-T108 PolarHBondContact N-O 2.58Å; T82-T108 HydrophobicContact CG2-CG2 4.43Å
109	V	91.1	Very high	82	Confident	5 Å²	5	79.8 Å²	79.8	3%	0.03	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	116	173.5	-173.4	0	0	0	0	108.2	A4 P6 V77 T78 D81 T82 V107	A4-V109 HydrophobicContact CB-CG2 4.34Å; A4-V109 WeakPolarHBondContact O-CA 3.47Å; P6-V109 HydrophobicContact CG-CG1 4.24Å; V77-V109 HydrophobicContact CB-CG1 4.46Å; V77-V109 HydrophobicContact CB-CG2 4.16Å; V77-V109 HydrophobicContact CG2-CG1 3.92Å; V77-V109 HydrophobicContact CG2-CG2 4.09Å; T78-V109 VanDerWaalsContact O-CB 3.28Å; T78-V109 WeakPolarHBondContact O-CB 3.27Å; T78-V109 WeakPolarHBondContact O-CG1 3.28Å; T78-V109 WeakPolarHBondContact O-CG2 3.38Å; D81-V109 HydrophobicContact CB-CG2 4.48Å; T82-V109 PolarHBondContact OG1-N 3.01Å; T82-V109 PolarHBondContact OG1-O 2.69Å; V107-V109 HydrophobicContact CG1-CG2 4.44Å
110	S	87.7	Confident	82.4	Confident	29 Å²	29	79.9 Å²	79.9	20%	0.203	46%	0.456	C	S	.	.			trans	-131.1	137.9	-177.2	63.9	0	0	0	0	111.7	A4 P6	A4-S110 PolarHBondContact O-N 2.97Å; P6-S110 VanDerWaalsContact CD-O 3.29Å; P6-S110 WeakPolarHBondContact CD-O 3.38Å
111	S	77.6	Confident	82.3	Confident	102 Å²	102	80.1 Å²	80.1	71%	0.713	47%	0.467	S	S	*	.			trans	-77.8	-9.7	172.4	52.5	0	0	0	0	113.3
112	E	71.8	Confident	81.8	Confident	153 Å²	153	78.9 Å²	78.9	72%	0.715	47%	0.473	S	S	*	.	S	Bend	trans	-65.4	133.4	178.2	-70.5	178.5	173.8	0	0	110.8	Q114	E112-Q114 PolarHBondContact O-N 3.41Å
113	S	58.2	Low	81.1	Confident	102 Å²	102	84.3 Å²	84.3	71%	0.713	50%	0.503	S	S	*	.			trans	-62.5	126.3	168.3	43.6	0	0	0	0	108.7	S115	S113-S115 PolarHBondContact O-N 2.95Å
114	Q	53.8	Low	80.2	Confident	135 Å²	135	75.8 Å²	75.8	63%	0.631	47%	0.473	S	S	*	.			trans	-55.6	111.3	166.3	-70.6	174.1	10.8	0	0	106.9	L3 E112	L3-Q114 HydrophobicContact CD2-CG 4.1Å; E112-Q114 PolarHBondContact O-N 3.41Å
115	S	44.8	Very low	78.9	Confident	186 Å²	186	80.3 Å²	80.3	100%	1.301	49%	0.491	S	S	*	.			trans	-91.6	0	170	40.9	0	0	0	0	109.6	S113	S113-S115 PolarHBondContact O-N 2.95Å

Retrieved 115 of 115 residues in 26.1 ms (Link to these results)

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