X5J4Y9_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4Y9, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 aa.

						>X5J4Y9_MOUSE|X5J4Y9
PGLAKPSQTLSLTCSVTGYSITSDYWNWIRKFPGNKLEYMGYISYSGSTYYNPSLKSRISITRDTSKNQYYLQLNSVTTEDTATYYCARYYYGSSYWYFDVWGTGTTVTVSS
					

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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	55.1	Low	81.6	Confident	155 Å²	155	81.4 Å²	81.4	100%	1.006	49%	0.485	S	S	*	.				0	117.4	0	-15	31.4	0	0	0	109.9	T107	P1-T107 CarbonylContact C-O 3.59Å; P1-T107 WeakPolarHBondContact CA-O 2.87Å
2	G	72.8	Confident	82.9	Confident	31 Å²	31	75.7 Å²	75.7	32%	0.32	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	129.1	177.1	0	0	0	0	0	110.4	T107 V108 T109	G2-T107 PolarHBondContact N-O 2.77Å; G2-V108 WeakPolarHBondContact O-CA 3.46Å; G2-T109 PolarHBondContact O-N 2.9Å
3	L	75.5	Confident	83.9	Confident	133 Å²	133	75.5 Å²	75.5	70%	0.696	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	122.7	169.1	-173.6	68.8	0	0	0	108
4	A	77.3	Confident	84.8	Confident	10 Å²	10	71 Å²	71	8%	0.083	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.7	176.8	0	0	0	0	0	110.2	V77 V108 T109 V110	A4-V77 HydrophobicContact CB-CG2 4.31Å; A4-V108 HydrophobicContact CB-CG1 4.49Å; A4-T109 PolarHBondContact N-O 2.7Å; A4-V110 HydrophobicContact CB-CG2 4.33Å; A4-V110 WeakPolarHBondContact O-CA 3.47Å
5	K	79.8	Confident	85.5	Confident	144 Å²	144	70.9 Å²	70.9	63%	0.626	43%	0.428	S	S	*	.			trans	-86.8	153.2	170.9	-62.8	-175.4	178.8	-175.5	0	109.8	Q8 V77	K5-Q8 HydrophobicContact CB-CG 4.13Å; K5-Q8 WeakPolarHBondContact O-CB 3.36Å; K5-Q8 WeakPolarHBondContact O-CG 3.34Å; K5-Q8 PolarHBondContact O-N 3.2Å; K5-V77 WeakPolarHBondContact O-CG2 3.05Å
6	P	81.9	Confident	86	Confident	51 Å²	51	67.6 Å²	67.6	33%	0.331	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	151.6	173.7	-25.9	34.4	0	0	0	112.3	Q8 V77 V110 S111	P6-Q8 PolarHBondContact O-N 3.42Å; P6-Q8 VanDerWaalsContact O-N 3.08Å; P6-V77 CarbonylContact C-O 3.5Å; P6-V77 WeakPolarHBondContact CA-O 3.39Å; P6-V110 HydrophobicContact CG-CG1 4.25Å; P6-S111 WeakPolarHBondContact CD-O 3.32Å
7	S	84.3	Confident	86.3	Confident	101 Å²	101	70.8 Å²	70.8	71%	0.706	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	0.9	-179.8	-51.5	0	0	0	0	115.6	V77	S7-V77 PolarHBondContact N-O 3.07Å
8	Q	89.7	Confident	86.5	Confident	95 Å²	95	71.4 Å²	71.4	44%	0.444	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-78.3	164.8	171.7	-65.2	-171.7	-42.5	0	0	111.6	K5 P6 S76 V77	K5-Q8 HydrophobicContact CB-CG 4.13Å; K5-Q8 WeakPolarHBondContact O-CB 3.36Å; K5-Q8 WeakPolarHBondContact O-CG 3.34Å; K5-Q8 PolarHBondContact O-N 3.2Å; P6-Q8 PolarHBondContact O-N 3.42Å; P6-Q8 VanDerWaalsContact O-N 3.08Å; Q8-S76 PolarHBondContact O-N 3.37Å; Q8-V77 HydrophobicContact CB-CG2 4.49Å; Q8-V77 WeakPolarHBondContact O-CG2 3.42Å; Q8-V77 PolarHBondContact O-N 2.86Å; Q8-V77 VanDerWaalsContact O-N 3.09Å
9	T	92.9	Very high	86.6	Confident	74 Å²	74	73.1 Å²	73.1	45%	0.454	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-93.9	122	168.7	-66.4	0	0	0	0	109.4	Q73 L74 N75	T9-Q73 HydrophobicContact CG2-CG 3.33Å; T9-L74 WeakPolarHBondContact CA-O 3.4Å; T9-N75 WeakPolarHBondContact CG2-OD1 3.41Å; T9-N75 PolarHBondContact OG1-OD1 2.87Å
10	L	93.6	Very high	86.9	Confident	22 Å²	22	71.9 Å²	71.9	12%	0.115	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	130.1	169.8	173.7	67.4	0	0	0	109	L12 Q73 L74 V77 Y85 V108	L10-L12 HydrophobicContact CD1-CD2 4.05Å; L10-L12 HydrophobicContact CD1-CG 4.26Å; L10-L12 HydrophobicContact CD2-CD1 4.07Å; L10-L12 HydrophobicContact CD2-CG 4.2Å; L10-L12 HydrophobicContact CG-CD1 4.47Å; L10-L12 HydrophobicContact CG-CD2 4.4Å; L10-L12 HydrophobicContact CG-CG 4.06Å; L10-Q73 CarbonylContact O-C 3.58Å; L10-Q73 WeakPolarHBondContact O-CA 3.26Å; L10-L74 HydrophobicContact CB-CB 4.38Å; L10-L74 PolarHBondContact N-O 3.4Å; L10-L74 PolarHBondContact O-N 2.98Å; L10-V77 HydrophobicContact CB-CG1 3.77Å; L10-Y85 HydrophobicContact CD2-CE2 4.24Å; L10-V108 HydrophobicContact CD1-CG1 4.07Å; L10-V108 HydrophobicContact CD1-CG2 4.01Å; L10-V108 HydrophobicContact CD2-CB 4.39Å; L10-V108 HydrophobicContact CD2-CG1 4.04Å; L10-V108 HydrophobicContact CD2-CG2 4.06Å
11	S	95.1	Very high	87.1	Confident	79 Å²	79	68.5 Å²	68.5	55%	0.552	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.6	171	-173.5	0	0	0	0	109.7	L72	S11-L72 CarbonylContact C-O 3.55Å; S11-L72 WeakPolarHBondContact CA-O 3.4Å
12	L	96.5	Very high	88.9	Confident	13 Å²	13	64.3 Å²	64.3	7%	0.068	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	140.6	177.9	-64.3	174.5	0	0	0	109.5	L10 W28 Y71 L72 Y85 T106 V108	L10-L12 HydrophobicContact CD1-CD2 4.05Å; L10-L12 HydrophobicContact CD1-CG 4.26Å; L10-L12 HydrophobicContact CD2-CD1 4.07Å; L10-L12 HydrophobicContact CD2-CG 4.2Å; L10-L12 HydrophobicContact CG-CD1 4.47Å; L10-L12 HydrophobicContact CG-CD2 4.4Å; L10-L12 HydrophobicContact CG-CG 4.06Å; L12-W28 HydrophobicContact CB-CH2 3.68Å; L12-W28 HydrophobicContact CB-CZ2 4.29Å; L12-W28 HydrophobicContact CB-CZ3 4.07Å; L12-W28 HydrophobicContact CD1-CZ3 4.17Å; L12-Y71 CarbonylContact O-C 3.56Å; L12-Y71 WeakPolarHBondContact O-CA 3.48Å; L12-L72 HydrophobicContact CB-CB 4.38Å; L12-L72 HydrophobicContact CD1-CD2 4.23Å; L12-L72 PolarHBondContact N-O 2.82Å; L12-L72 PolarHBondContact O-N 2.92Å; L12-Y85 HydrophobicContact CD1-CD1 3.63Å; L12-Y85 HydrophobicContact CD1-CD2 4Å; L12-Y85 HydrophobicContact CD1-CE1 4.41Å; L12-Y85 HydrophobicContact CD1-CG 3.4Å; L12-T106 HydrophobicContact CD2-CG2 4.01Å; L12-V108 HydrophobicContact CD2-CG2 4.17Å
13	T	96.8	Very high	89.6	Confident	73 Å²	73	65.8 Å²	65.8	45%	0.448	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.5	177.3	-58.8	0	0	0	0	109	Q69 Y71	T13-Q69 HydrophobicContact CG2-CB 4.43Å; T13-Q69 HydrophobicContact CG2-CG 4.16Å; T13-Y71 HydrophobicContact CG2-CD1 3.84Å; T13-Y71 HydrophobicContact CG2-CE1 3.5Å; T13-Y71 VanDerWaalsContact OG1-CD1 3.31Å; T13-Y71 WeakPolarHBondContact OG1-CD1 3.48Å; T13-Y71 WeakPolarHBondContact OG1-CE1 3.4Å
14	C	96.2	Very high	90.2	Very high	13 Å²	13	60.3 Å²	60.3	9%	0.088	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	121.7	163.7	-170.9	0	0	0	0	109.5	W28 Q69 Y70 C87	C14-W28 HydrophobicContact CB-CH2 4.04Å; C14-W28 HydrophobicContact CB-CZ2 3.97Å; C14-Q69 WeakPolarHBondContact O-CA 3.3Å; C14-Y70 HydrophobicContact CB-CD1 3.9Å; C14-Y70 HydrophobicContact CB-CE1 3.5Å; C14-Y70 HydrophobicContact CB-CE2 4.36Å; C14-Y70 PolarHBondContact N-O 2.87Å; C14-Y70 PolarHBondContact O-N 2.78Å; C14-C87 HydrophobicContact CB-CB 3.45Å; C14-C87 VanDerWaalsContact CB-CB 3.45Å; C14-C87 WeakPolarHBondContact CB-SG 3.41Å; C14-C87 WeakPolarHBondContact SG-CB 3.41Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 3.46Å
15	S	95.7	Very high	90.9	Very high	70 Å²	70	62.6 Å²	62.6	49%	0.49	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.6	174.1	-57.6	0	0	0	0	109	Q69	S15-Q69 WeakPolarHBondContact OG-CG 3.34Å; S15-Q69 PolarHBondContact OG-NE2 2.84Å
16	V	93.4	Very high	91.6	Very high	17 Å²	17	56 Å²	56	10%	0.103	35%	0.349	C	S	.	.			trans	-91.9	133.4	-178.7	178.9	0	0	0	0	109.3	Y19 I21 W26 N68 Y70	V16-Y19 WeakPolarHBondContact CG1-O 3.43Å; V16-I21 HydrophobicContact CB-CG2 3.89Å; V16-I21 HydrophobicContact CG2-CG2 3.58Å; V16-W26 HydrophobicContact CB-CH2 4.3Å; V16-W26 HydrophobicContact CB-CZ3 4.39Å; V16-W26 HydrophobicContact CG1-CH2 3.42Å; V16-W26 VanDerWaalsContact CG1-CH2 3.42Å; V16-W26 HydrophobicContact CG1-CZ2 4.09Å; V16-W26 HydrophobicContact CG1-CZ3 3.87Å; V16-W26 HydrophobicContact CG2-CD2 4.42Å; V16-W26 HydrophobicContact CG2-CE3 3.86Å; V16-W26 HydrophobicContact CG2-CH2 3.89Å; V16-W26 HydrophobicContact CG2-CZ2 4.46Å; V16-W26 HydrophobicContact CG2-CZ3 3.55Å; V16-N68 PolarHBondContact N-O 3.13Å; V16-N68 PolarHBondContact O-ND2 2.88Å; V16-Y70 HydrophobicContact CG2-CD1 4.16Å; V16-Y70 HydrophobicContact CG2-CE1 3.94Å
17	T	91.4	Very high	92.3	Very high	123 Å²	123	53.8 Å²	53.8	76%	0.755	33%	0.334	S	S	*	.			trans	-124.4	144.2	174.7	52.3	0	0	0	0	109	Y19	T17-Y19 PolarHBondContact O-N 3.35Å
18	G	89.5	Confident	92.9	Very high	81 Å²	81	49.2 Å²	49.2	84%	0.835	30%	0.302	S	S	*	.	S	Bend	trans	76.5	-9.6	-178.3	0	0	0	0	0	116.1
19	Y	88.5	Confident	93.3	Very high	104 Å²	104	45 Å²	45	41%	0.408	28%	0.282	S	S	.	.	S	Bend	trans	-137	163.3	177.3	-59.5	-72	0	0	0	111.1	V16 T17 N68 V101	V16-Y19 WeakPolarHBondContact CG1-O 3.43Å; T17-Y19 PolarHBondContact O-N 3.35Å; Y19-N68 PolarHBondContact O-ND2 3.15Å; Y19-V101 HydrophobicContact CE2-CG2 3.81Å
20	S	91.3	Very high	93.5	Very high	48 Å²	48	42.1 Å²	42.1	34%	0.336	26%	0.263	S	S	.	.			trans	-100.1	135.2	173.8	-176.8	0	0	0	0	111	T22 S23 W26 N68	S20-T22 PolarHBondContact O-N 2.97Å; S20-T22 PolarHBondContact OG-N 3.18Å; S20-T22 PolarHBondContact OG-OG1 2.83Å; S20-S23 PolarHBondContact O-N 3.32Å; S20-S23 PolarHBondContact O-OG 2.94Å; S20-W26 WeakPolarHBondContact O-CZ2 3.47Å; S20-N68 WeakPolarHBondContact CA-OD1 3.28Å
21	I	92.3	Very high	93.6	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-8	173.7	67.1	171.3	0	0	0	113.7	V16 W26 R63 D64 T65 N68 Q69 Y70	V16-I21 HydrophobicContact CB-CG2 3.89Å; V16-I21 HydrophobicContact CG2-CG2 3.58Å; I21-W26 HydrophobicContact CG2-CD2 4.42Å; I21-W26 HydrophobicContact CG2-CZ2 4.49Å; I21-W26 PolarHBondContact O-NE1 3Å; I21-W26 VanDerWaalsContact O-NE1 3.17Å; I21-R63 HydrophobicContact CD1-CB 3.93Å; I21-D64 WeakPolarHBondContact CD1-O 3.43Å; I21-T65 HydrophobicContact CD1-CG2 4.1Å; I21-T65 HydrophobicContact CG1-CG2 4.24Å; I21-N68 WeakPolarHBondContact CG2-OD1 3.18Å; I21-N68 PolarHBondContact N-OD1 2.69Å; I21-Q69 WeakPolarHBondContact CD1-O 3.16Å; I21-Y70 HydrophobicContact CG2-CD1 4.36Å
22	T	92.1	Very high	93.7	Very high	68 Å²	68	42.3 Å²	42.3	42%	0.417	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	11.2	178.3	64	0	0	0	0	113.7	S20 Y45 T65	S20-T22 PolarHBondContact O-N 2.97Å; S20-T22 PolarHBondContact OG-N 3.18Å; S20-T22 PolarHBondContact OG-OG1 2.83Å; T22-Y45 WeakPolarHBondContact O-CB 3.44Å; T22-T65 HydrophobicContact CG2-CG2 3.44Å; T22-T65 VanDerWaalsContact CG2-CG2 3.44Å
23	S	87.8	Confident	93.5	Very high	62 Å²	62	46.7 Å²	46.7	43%	0.434	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-24.8	175.1	59.3	0	0	0	0	114.3	S20	S20-S23 PolarHBondContact O-N 3.32Å; S20-S23 PolarHBondContact O-OG 2.94Å
24	D	89.1	Confident	93.3	Very high	17 Å²	17	46.8 Å²	46.8	9%	0.091	30%	0.297	C	S	.	.	S	Bend	trans	-140.1	-174.4	-164.9	-68.3	-68	0	0	0	112.8	W26 S44 Y45 R89	D24-W26 HydrophobicContact CB-CZ2 4.35Å; D24-W26 PolarHBondContact O-NE1 2.93Å; D24-S44 CarbonylContact O-C 3.57Å; D24-Y45 PolarHBondContact O-N 2.67Å; D24-R89 HydrophobicContact CB-CG 3.93Å; D24-R89 IonicContact OD2-NH1 3.08Å; D24-R89 PolarHBondContact OD2-NH1 3.27Å
25	Y	92.2	Very high	92.9	Very high	59 Å²	59	51.7 Å²	51.7	23%	0.231	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	133.6	171	-63.3	-100.7	0	0	0	110.1	N27 Y42 S44 Y45 Y90	Y25-N27 PolarHBondContact O-ND2 3.14Å; Y25-N27 VanDerWaalsContact O-ND2 3.15Å; Y25-Y42 AromaticContact CD1-CD2 3.78Å; Y25-Y42 HydrophobicContact CD1-CD2 3.78Å; Y25-Y42 AromaticContact CD1-CE2 3.71Å; Y25-Y42 HydrophobicContact CD1-CE2 3.71Å; Y25-Y42 HydrophobicContact CD1-CG 4.31Å; Y25-Y42 HydrophobicContact CE1-CD2 4.49Å; Y25-Y42 AromaticContact CE1-CE2 3.96Å; Y25-Y42 HydrophobicContact CE1-CE2 3.96Å; Y25-S44 VanDerWaalsContact CE1-CB 3.46Å; Y25-Y45 HydrophobicContact CE2-CD1 4.39Å; Y25-Y45 HydrophobicContact CE2-CE1 4.37Å; Y25-Y90 HydrophobicContact CD2-CD1 4.17Å; Y25-Y90 HydrophobicContact CG-CD1 4.35Å; Y25-Y90 PolarHBondContact N-O 3.04Å; Y25-Y90 PolarHBondContact O-N 3.35Å
26	W	94.4	Very high	92.9	Very high	6 Å²	6	55.3 Å²	55.3	2%	0.023	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.5	-175.1	-62	92.2	0	0	0	110.1	V16 S20 I21 D24 Y42 I43 Y70 R89	V16-W26 HydrophobicContact CB-CH2 4.3Å; V16-W26 HydrophobicContact CB-CZ3 4.39Å; V16-W26 HydrophobicContact CG1-CH2 3.42Å; V16-W26 VanDerWaalsContact CG1-CH2 3.42Å; V16-W26 HydrophobicContact CG1-CZ2 4.09Å; V16-W26 HydrophobicContact CG1-CZ3 3.87Å; V16-W26 HydrophobicContact CG2-CD2 4.42Å; V16-W26 HydrophobicContact CG2-CE3 3.86Å; V16-W26 HydrophobicContact CG2-CH2 3.89Å; V16-W26 HydrophobicContact CG2-CZ2 4.46Å; V16-W26 HydrophobicContact CG2-CZ3 3.55Å; S20-W26 WeakPolarHBondContact O-CZ2 3.47Å; I21-W26 HydrophobicContact CG2-CD2 4.42Å; I21-W26 HydrophobicContact CG2-CZ2 4.49Å; I21-W26 PolarHBondContact O-NE1 3Å; I21-W26 VanDerWaalsContact O-NE1 3.17Å; D24-W26 HydrophobicContact CB-CZ2 4.35Å; D24-W26 PolarHBondContact O-NE1 2.93Å; W26-Y42 CarbonylContact O-C 3.52Å; W26-Y42 WeakPolarHBondContact O-CA 3.26Å; W26-Y42 WeakPolarHBondContact O-CB 3.34Å; W26-I43 HydrophobicContact CB-CG2 4.14Å; W26-I43 PolarHBondContact N-O 3.47Å; W26-I43 PolarHBondContact O-N 3.38Å; W26-Y70 HydrophobicContact CB-CD1 4.1Å; W26-Y70 HydrophobicContact CB-CD2 4.08Å; W26-Y70 HydrophobicContact CB-CE1 3.84Å; W26-Y70 HydrophobicContact CB-CE2 3.83Å; W26-Y70 HydrophobicContact CB-CG 4.18Å; W26-Y70 HydrophobicContact CD2-CE1 4.15Å; W26-Y70 AromaticContact CE3-CE1 3.77Å; W26-Y70 HydrophobicContact CE3-CE1 3.77Å; W26-Y70 HydrophobicContact CG-CD1 4.39Å; W26-Y70 HydrophobicContact CG-CE1 4.19Å; W26-R89 HydrophobicContact CE3-CB 4.05Å; W26-R89 HydrophobicContact CE3-CG 4.32Å; W26-R89 HydrophobicContact CH2-CB 3.98Å; W26-R89 HydrophobicContact CH2-CG 3.82Å; W26-R89 HydrophobicContact CZ2-CG 4.13Å; W26-R89 HydrophobicContact CZ3-CB 3.61Å; W26-R89 HydrophobicContact CZ3-CG 3.92Å
27	N	95.9	Very high	93	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.021	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	154	-161.9	-58.2	-100.9	0	0	0	110.2	Y25 Y39 G41 Y42 Y70 C87 A88 Y90 F99	Y25-N27 PolarHBondContact O-ND2 3.14Å; Y25-N27 VanDerWaalsContact O-ND2 3.15Å; N27-Y39 HydrophobicContact CB-CE2 4.14Å; N27-Y39 PolarHBondContact OD1-OH 2.83Å; N27-G41 WeakPolarHBondContact CA-O 3.35Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.46Å; N27-Y70 PolarHBondContact O-OH 2.95Å; N27-C87 WeakPolarHBondContact O-CA 3.32Å; N27-A88 HydrophobicContact CB-CB 4.46Å; N27-A88 WeakPolarHBondContact CB-O 3.49Å; N27-A88 PolarHBondContact N-O 2.77Å; N27-A88 PolarHBondContact ND2-O 3.15Å; N27-A88 VanDerWaalsContact ND2-O 3.16Å; N27-A88 PolarHBondContact O-N 3.17Å; N27-Y90 WeakPolarHBondContact ND2-CB 3.48Å; N27-Y90 PolarHBondContact ND2-N 3.31Å; N27-F99 HydrophobicContact CB-CE1 3.85Å; N27-F99 VanDerWaalsContact CG-CE1 3.48Å
28	W	97.3	Very high	93.2	Very high	5 Å²	5	55.3 Å²	55.3	2%	0.019	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.7	169.1	-76.6	101.9	0	0	0	110.1	L12 C14 M40 G41 Y70 L72 Y86	L12-W28 HydrophobicContact CB-CH2 3.68Å; L12-W28 HydrophobicContact CB-CZ2 4.29Å; L12-W28 HydrophobicContact CB-CZ3 4.07Å; L12-W28 HydrophobicContact CD1-CZ3 4.17Å; C14-W28 HydrophobicContact CB-CH2 4.04Å; C14-W28 HydrophobicContact CB-CZ2 3.97Å; W28-M40 HydrophobicContact CB-CB 4.09Å; W28-M40 HydrophobicContact CB-SD 4.47Å; W28-M40 WeakPolarHBondContact O-CB 3.43Å; W28-M40 PolarHBondContact O-N 2.86Å; W28-G41 PolarHBondContact N-O 2.86Å; W28-Y70 AromaticContact CD1-CE2 3.72Å; W28-Y70 HydrophobicContact CD2-CE2 4.36Å; W28-Y70 AromaticContact CE2-CD2 3.98Å; W28-Y70 AromaticContact CE2-CE2 3.65Å; W28-Y70 HydrophobicContact CG-CE2 4.4Å; W28-Y70 HydrophobicContact CZ2-CD2 4.33Å; W28-Y70 HydrophobicContact CZ2-CE2 4.13Å; W28-Y70 AromaticContact NE1-CD2 3.29Å; W28-Y70 VanDerWaalsContact NE1-CD2 3.29Å; W28-Y70 AromaticContact NE1-CE2 3.2Å; W28-L72 HydrophobicContact CB-CD2 4.17Å; W28-L72 HydrophobicContact CD2-CB 3.67Å; W28-L72 HydrophobicContact CD2-CD2 3.9Å; W28-L72 HydrophobicContact CD2-CG 4.37Å; W28-L72 VanDerWaalsContact CE2-CB 3.43Å; W28-L72 HydrophobicContact CE3-CB 4.3Å; W28-L72 HydrophobicContact CE3-CD2 4Å; W28-L72 HydrophobicContact CG-CB 3.9Å; W28-L72 HydrophobicContact CG-CD2 3.98Å; W28-L72 HydrophobicContact CG-CG 4.36Å; W28-L72 HydrophobicContact CH2-CB 4.5Å; W28-L72 HydrophobicContact CZ2-CB 3.89Å; W28-Y86 WeakPolarHBondContact CA-O 3.45Å
29	I	96.8	Very high	93.5	Very high	7 Å²	7	54.7 Å²	54.7	4%	0.036	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	136.1	-179.4	-58.3	167	0	0	0	106.8	L37 E38 Y39 Y86 A88 F99 W102	I29-L37 HydrophobicContact CG2-CB 4.45Å; I29-L37 HydrophobicContact CG2-CD2 4.01Å; I29-E38 WeakPolarHBondContact CA-O 3.34Å; I29-Y39 HydrophobicContact CG1-CD2 4.08Å; I29-Y86 PolarHBondContact N-O 2.82Å; I29-Y86 PolarHBondContact O-N 3.07Å; I29-A88 HydrophobicContact CD1-CB 4.08Å; I29-F99 HydrophobicContact CD1-CD2 4.12Å; I29-F99 HydrophobicContact CD1-CE1 4.29Å; I29-F99 HydrophobicContact CD1-CE2 3.83Å; I29-F99 HydrophobicContact CD1-CG 4.47Å; I29-F99 HydrophobicContact CD1-CZ 3.93Å; I29-W102 HydrophobicContact CB-CH2 4.4Å; I29-W102 HydrophobicContact CB-CZ3 4.18Å; I29-W102 HydrophobicContact CD1-CH2 3.27Å; I29-W102 HydrophobicContact CD1-CZ2 3.89Å; I29-W102 HydrophobicContact CD1-CZ3 3.71Å; I29-W102 HydrophobicContact CG1-CH2 4.4Å; I29-W102 HydrophobicContact CG2-CH2 4.22Å; I29-W102 HydrophobicContact CG2-CZ3 4.22Å
30	R	96.7	Very high	93.9	Very high	12 Å²	12	49.8 Å²	49.8	5%	0.045	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	142.5	173.1	66.1	-178.4	178.6	171.2	7.5	111.3	F32 L37 E38 M40 D81 A83 T84 Y85	R30-F32 HydrophobicContact CG-CE2 4.36Å; R30-F32 HydrophobicContact CG-CZ 4.17Å; R30-L37 CarbonylContact O-C 3.56Å; R30-L37 WeakPolarHBondContact O-CA 3.38Å; R30-E38 HydrophobicContact CG-CB 4.12Å; R30-E38 IonicContact CZ-OE2 3.64Å; R30-E38 PolarHBondContact N-O 3.43Å; R30-E38 IonicContact NE-OE2 2.86Å; R30-E38 PolarHBondContact NE-OE2 2.88Å; R30-E38 IonicContact NH2-OE2 3.71Å; R30-E38 PolarHBondContact NH2-OE2 3.08Å; R30-E38 PolarHBondContact O-N 2.64Å; R30-M40 HydrophobicContact CB-SD 3.99Å; R30-M40 HydrophobicContact CG-CG 4.14Å; R30-M40 HydrophobicContact CG-SD 3.97Å; R30-D81 IonicContact CZ-OD1 3.64Å; R30-D81 IonicContact NH1-OD1 3.62Å; R30-D81 PolarHBondContact NH1-OD1 3.04Å; R30-D81 IonicContact NH2-OD1 3.47Å; R30-A83 HydrophobicContact CB-CB 3.95Å; R30-A83 HydrophobicContact CG-CB 4.43Å; R30-T84 CarbonylContact C-O 3.47Å; R30-T84 WeakPolarHBondContact CA-O 3.3Å; R30-Y85 HydrophobicContact CB-CD1 3.83Å; R30-Y85 HydrophobicContact CB-CE1 3.87Å; R30-Y85 HydrophobicContact CB-CG 4.27Å; R30-Y85 HydrophobicContact CG-CE1 4.46Å; R30-Y85 PolarHBondContact NH1-OH 2.84Å
31	K	97.3	Very high	94.2	Very high	66 Å²	66	47.5 Å²	47.5	29%	0.287	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116.4	178.8	-169.7	-177.6	173.4	-167.3	0	109.3	N35 K36 L37 A83 T84 Y86	K31-N35 WeakPolarHBondContact CE-OD1 3.34Å; K31-N35 PolarHBondContact NZ-OD1 3.43Å; K31-K36 CarbonylContact C-O 3.51Å; K31-K36 WeakPolarHBondContact CA-O 3.44Å; K31-L37 HydrophobicContact CB-CD2 3.6Å; K31-L37 HydrophobicContact CD-CD2 4.19Å; K31-L37 HydrophobicContact CG-CD2 3.7Å; K31-A83 WeakPolarHBondContact O-CA 3.5Å; K31-A83 WeakPolarHBondContact O-CB 3.32Å; K31-T84 PolarHBondContact N-O 3.47Å; K31-T84 PolarHBondContact O-N 3.18Å; K31-Y86 HydrophobicContact CB-CD2 4.28Å; K31-Y86 HydrophobicContact CB-CE2 3.64Å; K31-Y86 HydrophobicContact CD-CE2 4.25Å
32	F	96.3	Very high	94.3	Very high	39 Å²	39	50.5 Å²	50.5	17%	0.171	27%	0.272	C	S	.	.			trans	-77.4	160.3	177.6	-62.9	-74.5	0	0	0	111.8	R30 G34 N35 K36 E38 E80 A83	R30-F32 HydrophobicContact CG-CE2 4.36Å; R30-F32 HydrophobicContact CG-CZ 4.17Å; F32-G34 PolarHBondContact O-N 2.92Å; F32-N35 PolarHBondContact O-N 3.16Å; F32-N35 VanDerWaalsContact O-N 3.07Å; F32-K36 HydrophobicContact CB-CB 4.47Å; F32-K36 HydrophobicContact CD2-CB 4.28Å; F32-K36 HydrophobicContact CD2-CD 4.42Å; F32-K36 HydrophobicContact CD2-CG 4.33Å; F32-K36 PolarHBondContact N-O 2.89Å; F32-E38 HydrophobicContact CE2-CB 3.74Å; F32-E38 HydrophobicContact CZ-CB 4.45Å; F32-E80 VanDerWaalsContact CE1-O 3.28Å; F32-E80 WeakPolarHBondContact CE1-O 3.16Å; F32-A83 HydrophobicContact CD1-CB 4.02Å; F32-A83 HydrophobicContact CE1-CB 4.25Å
33	P	91.6	Very high	94.5	Very high	106 Å²	106	47.7 Å²	47.7	69%	0.688	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	133.2	159.1	-23.9	34.4	0	0	0	109.9
34	G	92.6	Very high	94.8	Very high	74 Å²	74	44.8 Å²	44.8	76%	0.763	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.9	11.4	-172.2	0	0	0	0	0	115.3	F32 K36	F32-G34 PolarHBondContact O-N 2.92Å; G34-K36 VanDerWaalsContact C-N 3.26Å; G34-K36 PolarHBondContact O-N 2.74Å
35	N	89.6	Confident	94.9	Very high	116 Å²	116	49.7 Å²	49.7	62%	0.62	25%	0.252	S	S	*	.	S	Bend	trans	67.4	10.1	171.6	-58	-58	0	0	0	116.8	K31 F32 L37	K31-N35 WeakPolarHBondContact CE-OD1 3.34Å; K31-N35 PolarHBondContact NZ-OD1 3.43Å; F32-N35 PolarHBondContact O-N 3.16Å; F32-N35 VanDerWaalsContact O-N 3.07Å; N35-L37 PolarHBondContact O-N 3.01Å
36	K	94.7	Very high	94.9	Very high	146 Å²	146	50.1 Å²	50.1	64%	0.635	26%	0.264	S	S	*	.			trans	-68.1	127.9	171	-176.1	-178.8	177.4	-174.2	0	110.1	K31 F32 G34	K31-K36 CarbonylContact C-O 3.51Å; K31-K36 WeakPolarHBondContact CA-O 3.44Å; F32-K36 HydrophobicContact CB-CB 4.47Å; F32-K36 HydrophobicContact CD2-CB 4.28Å; F32-K36 HydrophobicContact CD2-CD 4.42Å; F32-K36 HydrophobicContact CD2-CG 4.33Å; F32-K36 PolarHBondContact N-O 2.89Å; G34-K36 VanDerWaalsContact C-N 3.26Å; G34-K36 PolarHBondContact O-N 2.74Å
37	L	94.8	Very high	94.9	Very high	98 Å²	98	51.2 Å²	51.2	51%	0.513	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	142.3	173.7	-67.6	170.1	0	0	0	110.5	I29 R30 K31 N35	I29-L37 HydrophobicContact CG2-CB 4.45Å; I29-L37 HydrophobicContact CG2-CD2 4.01Å; R30-L37 CarbonylContact O-C 3.56Å; R30-L37 WeakPolarHBondContact O-CA 3.38Å; K31-L37 HydrophobicContact CB-CD2 3.6Å; K31-L37 HydrophobicContact CD-CD2 4.19Å; K31-L37 HydrophobicContact CG-CD2 3.7Å; N35-L37 PolarHBondContact O-N 3.01Å
38	E	96.5	Very high	94.9	Very high	42 Å²	42	54.3 Å²	54.3	20%	0.196	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	124.1	170.2	-178.7	176.1	-120.3	0	0	109.9	I29 R30 F32	I29-E38 WeakPolarHBondContact CA-O 3.34Å; R30-E38 HydrophobicContact CG-CB 4.12Å; R30-E38 IonicContact CZ-OE2 3.64Å; R30-E38 PolarHBondContact N-O 3.43Å; R30-E38 IonicContact NE-OE2 2.86Å; R30-E38 PolarHBondContact NE-OE2 2.88Å; R30-E38 IonicContact NH2-OE2 3.71Å; R30-E38 PolarHBondContact NH2-OE2 3.08Å; R30-E38 PolarHBondContact O-N 2.64Å; F32-E38 HydrophobicContact CE2-CB 3.74Å; F32-E38 HydrophobicContact CZ-CB 4.45Å
39	Y	95.7	Very high	94.9	Very high	69 Å²	69	56.8 Å²	56.8	27%	0.271	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	129.6	173.6	177.1	-102.1	0	0	0	109.9	N27 I29 G41 Y42 Y50 N52 F99	N27-Y39 HydrophobicContact CB-CE2 4.14Å; N27-Y39 PolarHBondContact OD1-OH 2.83Å; I29-Y39 HydrophobicContact CG1-CD2 4.08Å; Y39-G41 WeakPolarHBondContact OH-CA 3.33Å; Y39-G41 PolarHBondContact OH-O 2.7Å; Y39-Y42 WeakPolarHBondContact OH-CB 3.45Å; Y39-Y42 WeakPolarHBondContact OH-CD1 3.38Å; Y39-Y42 PolarHBondContact OH-N 2.9Å; Y39-Y50 AromaticContact CE1-CD1 3.94Å; Y39-Y50 HydrophobicContact CE1-CD1 3.94Å; Y39-Y50 AromaticContact CE1-CE1 3.96Å; Y39-Y50 HydrophobicContact CE1-CE1 3.96Å; Y39-N52 WeakPolarHBondContact O-CB 3.36Å; Y39-N52 PolarHBondContact O-ND2 3.36Å; Y39-F99 HydrophobicContact CD2-CZ 4.5Å; Y39-F99 HydrophobicContact CE2-CZ 4.43Å
40	M	97.1	Very high	94.8	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-40	-176.6	-57.1	-174.9	71.4	0	0	112.2	W28 R30 N52 L55 I59 L72 Y85	W28-M40 HydrophobicContact CB-CB 4.09Å; W28-M40 HydrophobicContact CB-SD 4.47Å; W28-M40 WeakPolarHBondContact O-CB 3.43Å; W28-M40 PolarHBondContact O-N 2.86Å; R30-M40 HydrophobicContact CB-SD 3.99Å; R30-M40 HydrophobicContact CG-CG 4.14Å; R30-M40 HydrophobicContact CG-SD 3.97Å; M40-N52 WeakPolarHBondContact O-CB 3.49Å; M40-N52 PolarHBondContact O-N 2.93Å; M40-L55 HydrophobicContact CB-CD1 4.18Å; M40-L55 HydrophobicContact CE-CD1 4.13Å; M40-L55 HydrophobicContact CG-CD1 3.96Å; M40-I59 HydrophobicContact CB-CD1 4.45Å; M40-I59 HydrophobicContact CE-CG2 3.93Å; M40-I59 WeakPolarHBondContact O-CD1 2.87Å; M40-L72 HydrophobicContact CE-CD1 4.24Å; M40-L72 HydrophobicContact CE-CD2 3.67Å; M40-L72 HydrophobicContact SD-CD2 3.67Å; M40-Y85 HydrophobicContact CE-CD1 4.44Å; M40-Y85 HydrophobicContact CE-CE1 3.9Å; M40-Y85 HydrophobicContact SD-CD1 3.72Å; M40-Y85 HydrophobicContact SD-CE1 3.66Å
41	G	96.4	Very high	94.9	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.7	178.7	-176.2	0	0	0	0	0	113	N27 W28 Y39 Y50	N27-G41 WeakPolarHBondContact CA-O 3.35Å; W28-G41 PolarHBondContact N-O 2.86Å; Y39-G41 WeakPolarHBondContact OH-CA 3.33Å; Y39-G41 PolarHBondContact OH-O 2.7Å; G41-Y50 CarbonylContact C-O 3.53Å; G41-Y50 WeakPolarHBondContact CA-O 3.42Å
42	Y	96.1	Very high	94.8	Very high	65 Å²	65	61.7 Å²	61.7	26%	0.255	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	162.9	176.2	72.1	-115.9	0	0	0	112.5	Y25 W26 N27 Y39 T49 Y50	Y25-Y42 AromaticContact CD1-CD2 3.78Å; Y25-Y42 HydrophobicContact CD1-CD2 3.78Å; Y25-Y42 AromaticContact CD1-CE2 3.71Å; Y25-Y42 HydrophobicContact CD1-CE2 3.71Å; Y25-Y42 HydrophobicContact CD1-CG 4.31Å; Y25-Y42 HydrophobicContact CE1-CD2 4.49Å; Y25-Y42 AromaticContact CE1-CE2 3.96Å; Y25-Y42 HydrophobicContact CE1-CE2 3.96Å; W26-Y42 CarbonylContact O-C 3.52Å; W26-Y42 WeakPolarHBondContact O-CA 3.26Å; W26-Y42 WeakPolarHBondContact O-CB 3.34Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.46Å; Y39-Y42 WeakPolarHBondContact OH-CB 3.45Å; Y39-Y42 WeakPolarHBondContact OH-CD1 3.38Å; Y39-Y42 PolarHBondContact OH-N 2.9Å; Y42-T49 VanDerWaalsContact O-CA 3.3Å; Y42-T49 WeakPolarHBondContact O-CA 3.41Å; Y42-Y50 HydrophobicContact CD1-CG 4.48Å; Y42-Y50 HydrophobicContact CE1-CD1 4.36Å; Y42-Y50 HydrophobicContact CE1-CG 4Å; Y42-Y50 VanDerWaalsContact CZ-CB 3.44Å; Y42-Y50 PolarHBondContact N-O 2.62Å; Y42-Y50 PolarHBondContact O-N 2.05Å
43	I	96.4	Very high	94.8	Very high	8 Å²	8	64.5 Å²	64.5	4%	0.041	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130.1	158	-170.3	161.1	0	0	0	109.7	W26 S48 T49 I61 R63 Y70	W26-I43 HydrophobicContact CB-CG2 4.14Å; W26-I43 PolarHBondContact N-O 3.47Å; W26-I43 PolarHBondContact O-N 3.38Å; I43-S48 WeakPolarHBondContact CA-O 3.49Å; I43-T49 HydrophobicContact CB-CG2 4.07Å; I43-T49 HydrophobicContact CD1-CG2 3.97Å; I43-T49 HydrophobicContact CG1-CG2 3.89Å; I43-I61 HydrophobicContact CB-CG2 3.73Å; I43-I61 HydrophobicContact CG2-CG2 3.76Å; I43-R63 HydrophobicContact CD1-CB 3.98Å; I43-R63 HydrophobicContact CD1-CG 3.77Å; I43-Y70 HydrophobicContact CG2-CD2 4.3Å
44	S	93.9	Very high	94.9	Very high	2 Å²	2	64 Å²	64	1%	0.014	36%	0.355	C	S	.	.			trans	-82.5	170	-179.4	70.6	0	0	0	0	112	D24 Y25 S46 G47 S48 R63	D24-S44 CarbonylContact O-C 3.57Å; Y25-S44 VanDerWaalsContact CE1-CB 3.46Å; S44-S46 PolarHBondContact O-N 2.74Å; S44-S46 PolarHBondContact OG-N 2.82Å; S44-S46 PolarHBondContact OG-OG 3.12Å; S44-G47 WeakPolarHBondContact O-CA 3.26Å; S44-G47 PolarHBondContact O-N 3.26Å; S44-G47 PolarHBondContact OG-N 3.28Å; S44-S48 PolarHBondContact N-O 2.85Å; S44-S48 WeakPolarHBondContact OG-CB 3.34Å; S44-S48 PolarHBondContact OG-N 2.9Å; S44-S48 PolarHBondContact OG-O 3.03Å; S44-R63 PolarHBondContact O-NH1 3.5Å
45	Y	91	Very high	95	Very high	119 Å²	119	60.6 Å²	60.6	47%	0.467	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.1	170.1	70.1	-91.8	0	0	0	114	T22 D24 Y25 G47 R63	T22-Y45 WeakPolarHBondContact O-CB 3.44Å; D24-Y45 PolarHBondContact O-N 2.67Å; Y25-Y45 HydrophobicContact CE2-CD1 4.39Å; Y25-Y45 HydrophobicContact CE2-CE1 4.37Å; Y45-G47 VanDerWaalsContact C-N 3.35Å; Y45-R63 VanDerWaalsContact O-CZ 3.24Å; Y45-R63 PolarHBondContact O-NH1 2.85Å; Y45-R63 PolarHBondContact O-NH2 3.43Å
46	S	92.6	Very high	95.2	Very high	69 Å²	69	61.7 Å²	61.7	48%	0.483	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-8.2	173.7	59.9	0	0	0	0	113.3	S44 S48 R63	S44-S46 PolarHBondContact O-N 2.74Å; S44-S46 PolarHBondContact OG-N 2.82Å; S44-S46 PolarHBondContact OG-OG 3.12Å; S46-S48 PolarHBondContact OG-OG 2.82Å; S46-R63 VanDerWaalsContact C-NH2 3.31Å
47	G	94.2	Very high	95.2	Very high	29 Å²	29	60.1 Å²	60.1	30%	0.299	33%	0.326	S	S	.	.	S	Bend	trans	88.5	2.9	-176.3	0	0	0	0	0	113.9	S44 Y45	S44-G47 WeakPolarHBondContact O-CA 3.26Å; S44-G47 PolarHBondContact O-N 3.26Å; S44-G47 PolarHBondContact OG-N 3.28Å; Y45-G47 VanDerWaalsContact C-N 3.35Å
48	S	95.1	Very high	95.3	Very high	68 Å²	68	58 Å²	58	48%	0.476	31%	0.311	S	S	.	.			trans	-69	136.9	173.7	-53.9	0	0	0	0	110.2	I43 S44 S46	I43-S48 WeakPolarHBondContact CA-O 3.49Å; S44-S48 PolarHBondContact N-O 2.85Å; S44-S48 WeakPolarHBondContact OG-CB 3.34Å; S44-S48 PolarHBondContact OG-N 2.9Å; S44-S48 PolarHBondContact OG-O 3.03Å; S46-S48 PolarHBondContact OG-OG 2.82Å
49	T	96.9	Very high	95.3	Very high	57 Å²	57	56.4 Å²	56.4	35%	0.35	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	147	-178.3	50.3	0	0	0	0	111.9	Y42 I43 Y51 I61	Y42-T49 VanDerWaalsContact O-CA 3.3Å; Y42-T49 WeakPolarHBondContact O-CA 3.41Å; I43-T49 HydrophobicContact CB-CG2 4.07Å; I43-T49 HydrophobicContact CD1-CG2 3.97Å; I43-T49 HydrophobicContact CG1-CG2 3.89Å; T49-Y51 PolarHBondContact OG1-OH 3.32Å; T49-I61 HydrophobicContact CG2-CB 4.44Å
50	Y	96.2	Very high	95.3	Very high	110 Å²	110	54.9 Å²	54.9	43%	0.431	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	139.8	166.5	176.4	-89	0	0	0	108.7	Y39 G41 Y42	Y39-Y50 AromaticContact CE1-CD1 3.94Å; Y39-Y50 HydrophobicContact CE1-CD1 3.94Å; Y39-Y50 AromaticContact CE1-CE1 3.96Å; Y39-Y50 HydrophobicContact CE1-CE1 3.96Å; G41-Y50 CarbonylContact C-O 3.53Å; G41-Y50 WeakPolarHBondContact CA-O 3.42Å; Y42-Y50 HydrophobicContact CD1-CG 4.48Å; Y42-Y50 HydrophobicContact CE1-CD1 4.36Å; Y42-Y50 HydrophobicContact CE1-CG 4Å; Y42-Y50 VanDerWaalsContact CZ-CB 3.44Å; Y42-Y50 PolarHBondContact N-O 2.62Å; Y42-Y50 PolarHBondContact O-N 2.05Å
51	Y	97.1	Very high	95.4	Very high	49 Å²	49	55.1 Å²	55.1	19%	0.192	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.8	-178.4	-57	-62.9	0	0	0	109.8	T49 P53 K56 I59 I61	T49-Y51 PolarHBondContact OG1-OH 3.32Å; Y51-P53 WeakPolarHBondContact O-CD 3.06Å; Y51-K56 HydrophobicContact CD2-CG 4.2Å; Y51-K56 HydrophobicContact CG-CG 4.43Å; Y51-I59 HydrophobicContact CD1-CD1 3.57Å; Y51-I59 HydrophobicContact CD1-CG1 3.59Å; Y51-I59 HydrophobicContact CE1-CD1 4.49Å; Y51-I59 HydrophobicContact CE1-CG1 4.22Å; Y51-I59 HydrophobicContact CG-CD1 4.19Å; Y51-I59 HydrophobicContact CG-CG1 4.19Å; Y51-I61 HydrophobicContact CD1-CD1 4.17Å; Y51-I61 HydrophobicContact CD1-CG1 4.45Å; Y51-I61 HydrophobicContact CE1-CB 4.14Å; Y51-I61 HydrophobicContact CE1-CD1 4.06Å; Y51-I61 HydrophobicContact CE1-CG1 3.93Å
52	N	96.2	Very high	95.4	Very high	30 Å²	30	58.4 Å²	58.4	16%	0.16	33%	0.325	C	S	.	.			trans	-58.3	125.3	165.9	-179.1	-28.3	0	0	0	108.9	Y39 M40 S54 L55 K56	Y39-N52 WeakPolarHBondContact O-CB 3.36Å; Y39-N52 PolarHBondContact O-ND2 3.36Å; M40-N52 WeakPolarHBondContact O-CB 3.49Å; M40-N52 PolarHBondContact O-N 2.93Å; N52-S54 PolarHBondContact O-N 2.87Å; N52-S54 VanDerWaalsContact O-N 3.12Å; N52-S54 PolarHBondContact OD1-N 3.41Å; N52-L55 HydrophobicContact CB-CB 4.45Å; N52-L55 HydrophobicContact CB-CD1 4.4Å; N52-L55 PolarHBondContact O-N 2.98Å; N52-K56 PolarHBondContact O-N 3.42Å
53	P	96	Very high	95.4	Very high	97 Å²	97	58.8 Å²	58.8	63%	0.63	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-37.9	-178.5	-29.6	35.8	0	0	0	114.2	Y51 L55	Y51-P53 WeakPolarHBondContact O-CD 3.06Å; P53-L55 PolarHBondContact O-N 2.96Å
54	S	93.6	Very high	95.4	Very high	95 Å²	95	60 Å²	60	66%	0.664	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-19.9	179.7	-58.4	0	0	0	0	113.7	N52	N52-S54 PolarHBondContact O-N 2.87Å; N52-S54 VanDerWaalsContact O-N 3.12Å; N52-S54 PolarHBondContact OD1-N 3.41Å
55	L	94.8	Very high	95.4	Very high	4 Å²	4	63.7 Å²	63.7	2%	0.021	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-10.8	-176.4	-63	175.2	0	0	0	113	M40 N52 P53 S57 R58 I59	M40-L55 HydrophobicContact CB-CD1 4.18Å; M40-L55 HydrophobicContact CE-CD1 4.13Å; M40-L55 HydrophobicContact CG-CD1 3.96Å; N52-L55 HydrophobicContact CB-CB 4.45Å; N52-L55 HydrophobicContact CB-CD1 4.4Å; N52-L55 PolarHBondContact O-N 2.98Å; P53-L55 PolarHBondContact O-N 2.96Å; L55-S57 PolarHBondContact O-N 2.86Å; L55-R58 PolarHBondContact O-N 3.09Å; L55-I59 HydrophobicContact CB-CD1 3.86Å; L55-I59 HydrophobicContact CB-CG1 4.21Å; L55-I59 HydrophobicContact CB-CG2 3.97Å; L55-I59 WeakPolarHBondContact O-CG1 3.2Å; L55-I59 PolarHBondContact O-N 3.3Å
56	K	93.7	Very high	95.7	Very high	138 Å²	138	63 Å²	63	60%	0.6	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-30.8	-169.5	-175.1	175.1	-179.4	-177.4	0	114.7	Y51 N52	Y51-K56 HydrophobicContact CD2-CG 4.2Å; Y51-K56 HydrophobicContact CG-CG 4.43Å; N52-K56 PolarHBondContact O-N 3.42Å
57	S	95.4	Very high	95.8	Very high	113 Å²	113	65.5 Å²	65.5	79%	0.79	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-18.5	177.9	57.7	0	0	0	0	113.9	L55	L55-S57 PolarHBondContact O-N 2.86Å
58	R	95.8	Very high	95.9	Very high	53 Å²	53	65.9 Å²	65.9	20%	0.2	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-22.8	-173.6	-57.1	-163.2	-61.5	136	-0.3	113.4	L55 L74 N75 S76 D81	L55-R58 PolarHBondContact O-N 3.09Å; R58-L74 HydrophobicContact CB-CD1 3.89Å; R58-N75 PolarHBondContact O-N 2.89Å; R58-S76 PolarHBondContact NH1-O 3.1Å; R58-D81 IonicContact CZ-OD1 2.74Å; R58-D81 IonicContact CZ-OD2 3.3Å; R58-D81 IonicContact NH1-OD1 3.65Å; R58-D81 PolarHBondContact NH1-OD1 3.36Å; R58-D81 IonicContact NH1-OD2 2.62Å; R58-D81 PolarHBondContact NH1-OD2 3.18Å; R58-D81 IonicContact NH2-OD1 2.7Å; R58-D81 PolarHBondContact NH2-OD1 2.76Å; R58-D81 IonicContact NH2-OD2 2.69Å
59	I	96.5	Very high	96	Very high	10 Å²	10	64.6 Å²	64.6	5%	0.051	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	145.4	-175.2	68.4	177.4	0	0	0	113.2	M40 Y51 L55 L72 Q73 L74	M40-I59 HydrophobicContact CB-CD1 4.45Å; M40-I59 HydrophobicContact CE-CG2 3.93Å; M40-I59 WeakPolarHBondContact O-CD1 2.87Å; Y51-I59 HydrophobicContact CD1-CD1 3.57Å; Y51-I59 HydrophobicContact CD1-CG1 3.59Å; Y51-I59 HydrophobicContact CE1-CD1 4.49Å; Y51-I59 HydrophobicContact CE1-CG1 4.22Å; Y51-I59 HydrophobicContact CG-CD1 4.19Å; Y51-I59 HydrophobicContact CG-CG1 4.19Å; L55-I59 HydrophobicContact CB-CD1 3.86Å; L55-I59 HydrophobicContact CB-CG1 4.21Å; L55-I59 HydrophobicContact CB-CG2 3.97Å; L55-I59 WeakPolarHBondContact O-CG1 3.2Å; L55-I59 PolarHBondContact O-N 3.3Å; I59-L72 HydrophobicContact CB-CD1 4.14Å; I59-L72 HydrophobicContact CG2-CD1 4.29Å; I59-Q73 CarbonylContact C-O 3.52Å; I59-Q73 VanDerWaalsContact CA-O 3.26Å; I59-Q73 WeakPolarHBondContact CA-O 3.12Å; I59-L74 HydrophobicContact CG2-CD1 3.54Å
60	S	97.3	Very high	96	Very high	37 Å²	37	62 Å²	62	26%	0.259	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	134.1	167.2	179.2	0	0	0	0	109	Q73	S60-Q73 PolarHBondContact N-O 3.46Å; S60-Q73 PolarHBondContact O-N 2.85Å
61	I	97.9	Very high	96	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.021	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.3	178.2	-58.7	168.9	0	0	0	107.9	I43 T49 Y51 Y71 L72	I43-I61 HydrophobicContact CB-CG2 3.73Å; I43-I61 HydrophobicContact CG2-CG2 3.76Å; T49-I61 HydrophobicContact CG2-CB 4.44Å; Y51-I61 HydrophobicContact CD1-CD1 4.17Å; Y51-I61 HydrophobicContact CD1-CG1 4.45Å; Y51-I61 HydrophobicContact CE1-CB 4.14Å; Y51-I61 HydrophobicContact CE1-CD1 4.06Å; Y51-I61 HydrophobicContact CE1-CG1 3.93Å; I61-Y71 WeakPolarHBondContact CA-O 3.44Å; I61-Y71 WeakPolarHBondContact CG2-O 3.02Å; I61-L72 HydrophobicContact CG1-CD1 3.97Å
62	T	97	Very high	96.1	Very high	69 Å²	69	56.4 Å²	56.4	42%	0.423	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	169.5	-178.5	63.7	0	0	0	0	110.7	Y70 Y71	T62-Y70 CarbonylContact O-C 3.57Å; T62-Y70 WeakPolarHBondContact O-CA 3.41Å; T62-Y70 WeakPolarHBondContact O-CB 3.39Å; T62-Y71 PolarHBondContact N-O 3.41Å; T62-Y71 VanDerWaalsContact N-O 3.1Å; T62-Y71 PolarHBondContact O-N 2.84Å
63	R	96.1	Very high	96.1	Very high	73 Å²	73	58.8 Å²	58.8	28%	0.275	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	152.6	178	68.6	179.8	-175.2	171.5	2.7	112.5	I21 I43 S44 Y45 S46 Q69	I21-R63 HydrophobicContact CD1-CB 3.93Å; I43-R63 HydrophobicContact CD1-CB 3.98Å; I43-R63 HydrophobicContact CD1-CG 3.77Å; S44-R63 PolarHBondContact O-NH1 3.5Å; Y45-R63 VanDerWaalsContact O-CZ 3.24Å; Y45-R63 PolarHBondContact O-NH1 2.85Å; Y45-R63 PolarHBondContact O-NH2 3.43Å; S46-R63 VanDerWaalsContact C-NH2 3.31Å; R63-Q69 WeakPolarHBondContact CA-O 3.38Å
64	D	96.1	Very high	96.1	Very high	35 Å²	35	54.2 Å²	54.2	19%	0.187	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	102	169.4	-176.1	-16.5	0	0	0	108.3	I21 S66 K67 N68 Q69 Y71	I21-D64 WeakPolarHBondContact CD1-O 3.43Å; D64-S66 VanDerWaalsContact C-N 3.25Å; D64-S66 PolarHBondContact O-N 3.16Å; D64-S66 WeakPolarHBondContact OD1-CB 3.35Å; D64-S66 PolarHBondContact OD1-N 2.8Å; D64-S66 PolarHBondContact OD1-OG 3.41Å; D64-K67 HydrophobicContact CB-CB 4.37Å; D64-K67 PolarHBondContact O-N 3.15Å; D64-K67 PolarHBondContact OD1-N 2.92Å; D64-K67 WeakPolarHBondContact OD2-CD 3.44Å; D64-K67 WeakPolarHBondContact OD2-CG 3.46Å; D64-K67 IonicContact OD2-NZ 2.67Å; D64-K67 PolarHBondContact OD2-NZ 2.84Å; D64-N68 PolarHBondContact O-N 3.04Å; D64-N68 VanDerWaalsContact O-N 3.09Å; D64-Q69 PolarHBondContact N-O 3.03Å; D64-Q69 PolarHBondContact O-N 3.04Å; D64-Q69 VanDerWaalsContact O-N 3.07Å; D64-Y71 HydrophobicContact CB-CE2 3.78Å
65	T	95	Very high	96.2	Very high	79 Å²	79	52 Å²	52	49%	0.485	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-23.1	-178.4	56.2	0	0	0	0	112.4	I21 T22 K67 N68	I21-T65 HydrophobicContact CD1-CG2 4.1Å; I21-T65 HydrophobicContact CG1-CG2 4.24Å; T22-T65 HydrophobicContact CG2-CG2 3.44Å; T22-T65 VanDerWaalsContact CG2-CG2 3.44Å; T65-K67 VanDerWaalsContact C-N 3.28Å; T65-K67 PolarHBondContact O-N 3.47Å; T65-N68 PolarHBondContact O-N 3.21Å
66	S	95.3	Very high	96.2	Very high	103 Å²	103	55.3 Å²	55.3	72%	0.72	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-29.3	176.2	75.3	0	0	0	0	112	D64	D64-S66 VanDerWaalsContact C-N 3.25Å; D64-S66 PolarHBondContact O-N 3.16Å; D64-S66 WeakPolarHBondContact OD1-CB 3.35Å; D64-S66 PolarHBondContact OD1-N 2.8Å; D64-S66 PolarHBondContact OD1-OG 3.41Å
67	K	96.3	Very high	96.2	Very high	123 Å²	123	48.8 Å²	48.8	54%	0.535	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-4.3	178.6	-61.7	-167.3	-173	98.8	0	113.9	D64 T65 Q69	D64-K67 HydrophobicContact CB-CB 4.37Å; D64-K67 PolarHBondContact O-N 3.15Å; D64-K67 PolarHBondContact OD1-N 2.92Å; D64-K67 WeakPolarHBondContact OD2-CD 3.44Å; D64-K67 WeakPolarHBondContact OD2-CG 3.46Å; D64-K67 IonicContact OD2-NZ 2.67Å; D64-K67 PolarHBondContact OD2-NZ 2.84Å; T65-K67 VanDerWaalsContact C-N 3.28Å; T65-K67 PolarHBondContact O-N 3.47Å; K67-Q69 HydrophobicContact CB-CB 4.12Å; K67-Q69 HydrophobicContact CB-CG 4.06Å; K67-Q69 PolarHBondContact O-N 2.91Å
68	N	95.9	Very high	96.2	Very high	36 Å²	36	46 Å²	46	19%	0.193	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	41.5	-171.1	-156.4	41.3	0	0	0	112.5	V16 Y19 S20 I21 D64 T65	V16-N68 PolarHBondContact N-O 3.13Å; V16-N68 PolarHBondContact O-ND2 2.88Å; Y19-N68 PolarHBondContact O-ND2 3.15Å; S20-N68 WeakPolarHBondContact CA-OD1 3.28Å; I21-N68 WeakPolarHBondContact CG2-OD1 3.18Å; I21-N68 PolarHBondContact N-OD1 2.69Å; D64-N68 PolarHBondContact O-N 3.04Å; D64-N68 VanDerWaalsContact O-N 3.09Å; T65-N68 PolarHBondContact O-N 3.21Å
69	Q	96.9	Very high	96.1	Very high	42 Å²	42	47.2 Å²	47.2	20%	0.196	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	150.7	-175.9	-78.6	173.5	-5.9	0	0	111.8	T13 C14 S15 I21 R63 D64 K67 Y71	T13-Q69 HydrophobicContact CG2-CB 4.43Å; T13-Q69 HydrophobicContact CG2-CG 4.16Å; C14-Q69 WeakPolarHBondContact O-CA 3.3Å; S15-Q69 WeakPolarHBondContact OG-CG 3.34Å; S15-Q69 PolarHBondContact OG-NE2 2.84Å; I21-Q69 WeakPolarHBondContact CD1-O 3.16Å; R63-Q69 WeakPolarHBondContact CA-O 3.38Å; D64-Q69 PolarHBondContact N-O 3.03Å; D64-Q69 PolarHBondContact O-N 3.04Å; D64-Q69 VanDerWaalsContact O-N 3.07Å; K67-Q69 HydrophobicContact CB-CB 4.12Å; K67-Q69 HydrophobicContact CB-CG 4.06Å; K67-Q69 PolarHBondContact O-N 2.91Å; Q69-Y71 HydrophobicContact CB-CE1 4.25Å; Q69-Y71 HydrophobicContact CB-CE2 4.26Å; Q69-Y71 WeakPolarHBondContact CB-OH 3.31Å; Q69-Y71 PolarHBondContact OE1-OH 3Å
70	Y	96.6	Very high	95.9	Very high	1 Å²	1	54 Å²	54	0%	0.004	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	154.1	167.9	72.9	-78.7	0	0	0	111.1	C14 V16 I21 W26 N27 W28 I43 T62 C87 A88	C14-Y70 HydrophobicContact CB-CD1 3.9Å; C14-Y70 HydrophobicContact CB-CE1 3.5Å; C14-Y70 HydrophobicContact CB-CE2 4.36Å; C14-Y70 PolarHBondContact N-O 2.87Å; C14-Y70 PolarHBondContact O-N 2.78Å; V16-Y70 HydrophobicContact CG2-CD1 4.16Å; V16-Y70 HydrophobicContact CG2-CE1 3.94Å; I21-Y70 HydrophobicContact CG2-CD1 4.36Å; W26-Y70 HydrophobicContact CB-CD1 4.1Å; W26-Y70 HydrophobicContact CB-CD2 4.08Å; W26-Y70 HydrophobicContact CB-CE1 3.84Å; W26-Y70 HydrophobicContact CB-CE2 3.83Å; W26-Y70 HydrophobicContact CB-CG 4.18Å; W26-Y70 HydrophobicContact CD2-CE1 4.15Å; W26-Y70 AromaticContact CE3-CE1 3.77Å; W26-Y70 HydrophobicContact CE3-CE1 3.77Å; W26-Y70 HydrophobicContact CG-CD1 4.39Å; W26-Y70 HydrophobicContact CG-CE1 4.19Å; N27-Y70 PolarHBondContact O-OH 2.95Å; W28-Y70 AromaticContact CD1-CE2 3.72Å; W28-Y70 HydrophobicContact CD2-CE2 4.36Å; W28-Y70 AromaticContact CE2-CD2 3.98Å; W28-Y70 AromaticContact CE2-CE2 3.65Å; W28-Y70 HydrophobicContact CG-CE2 4.4Å; W28-Y70 HydrophobicContact CZ2-CD2 4.33Å; W28-Y70 HydrophobicContact CZ2-CE2 4.13Å; W28-Y70 AromaticContact NE1-CD2 3.29Å; W28-Y70 VanDerWaalsContact NE1-CD2 3.29Å; W28-Y70 AromaticContact NE1-CE2 3.2Å; I43-Y70 HydrophobicContact CG2-CD2 4.3Å; T62-Y70 CarbonylContact O-C 3.57Å; T62-Y70 WeakPolarHBondContact O-CA 3.41Å; T62-Y70 WeakPolarHBondContact O-CB 3.39Å; Y70-C87 HydrophobicContact CE1-CB 4.16Å; Y70-C87 HydrophobicContact CE2-CB 4.31Å; Y70-C87 WeakPolarHBondContact OH-CA 3.46Å; Y70-C87 WeakPolarHBondContact OH-CB 3.31Å; Y70-A88 PolarHBondContact OH-N 2.95Å
71	Y	97.3	Very high	95.8	Very high	43 Å²	43	52.3 Å²	52.3	17%	0.169	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	147.3	-164.1	-47.6	-85.3	0	0	0	110.7	L12 T13 I61 T62 D64 Q69	L12-Y71 CarbonylContact O-C 3.56Å; L12-Y71 WeakPolarHBondContact O-CA 3.48Å; T13-Y71 HydrophobicContact CG2-CD1 3.84Å; T13-Y71 HydrophobicContact CG2-CE1 3.5Å; T13-Y71 VanDerWaalsContact OG1-CD1 3.31Å; T13-Y71 WeakPolarHBondContact OG1-CD1 3.48Å; T13-Y71 WeakPolarHBondContact OG1-CE1 3.4Å; I61-Y71 WeakPolarHBondContact CA-O 3.44Å; I61-Y71 WeakPolarHBondContact CG2-O 3.02Å; T62-Y71 PolarHBondContact N-O 3.41Å; T62-Y71 VanDerWaalsContact N-O 3.1Å; T62-Y71 PolarHBondContact O-N 2.84Å; D64-Y71 HydrophobicContact CB-CE2 3.78Å; Q69-Y71 HydrophobicContact CB-CE1 4.25Å; Q69-Y71 HydrophobicContact CB-CE2 4.26Å; Q69-Y71 WeakPolarHBondContact CB-OH 3.31Å; Q69-Y71 PolarHBondContact OE1-OH 3Å
72	L	97.9	Very high	95.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.3	167.1	171.1	68.4	0	0	0	108.1	S11 L12 W28 M40 I59 I61 Y85	S11-L72 CarbonylContact C-O 3.55Å; S11-L72 WeakPolarHBondContact CA-O 3.4Å; L12-L72 HydrophobicContact CB-CB 4.38Å; L12-L72 HydrophobicContact CD1-CD2 4.23Å; L12-L72 PolarHBondContact N-O 2.82Å; L12-L72 PolarHBondContact O-N 2.92Å; W28-L72 HydrophobicContact CB-CD2 4.17Å; W28-L72 HydrophobicContact CD2-CB 3.67Å; W28-L72 HydrophobicContact CD2-CD2 3.9Å; W28-L72 HydrophobicContact CD2-CG 4.37Å; W28-L72 VanDerWaalsContact CE2-CB 3.43Å; W28-L72 HydrophobicContact CE3-CB 4.3Å; W28-L72 HydrophobicContact CE3-CD2 4Å; W28-L72 HydrophobicContact CG-CB 3.9Å; W28-L72 HydrophobicContact CG-CD2 3.98Å; W28-L72 HydrophobicContact CG-CG 4.36Å; W28-L72 HydrophobicContact CH2-CB 4.5Å; W28-L72 HydrophobicContact CZ2-CB 3.89Å; M40-L72 HydrophobicContact CE-CD1 4.24Å; M40-L72 HydrophobicContact CE-CD2 3.67Å; M40-L72 HydrophobicContact SD-CD2 3.67Å; I59-L72 HydrophobicContact CB-CD1 4.14Å; I59-L72 HydrophobicContact CG2-CD1 4.29Å; I61-L72 HydrophobicContact CG1-CD1 3.97Å; L72-Y85 HydrophobicContact CD2-CD1 4.02Å; L72-Y85 HydrophobicContact CD2-CE1 4.38Å
73	Q	97.1	Very high	95.7	Very high	80 Å²	80	50.6 Å²	50.6	37%	0.374	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.3	166.8	-168.8	177.7	44.5	0	0	108.3	T9 L10 I59 S60	T9-Q73 HydrophobicContact CG2-CG 3.33Å; L10-Q73 CarbonylContact O-C 3.58Å; L10-Q73 WeakPolarHBondContact O-CA 3.26Å; I59-Q73 CarbonylContact C-O 3.52Å; I59-Q73 VanDerWaalsContact CA-O 3.26Å; I59-Q73 WeakPolarHBondContact CA-O 3.12Å; S60-Q73 PolarHBondContact N-O 3.46Å; S60-Q73 PolarHBondContact O-N 2.85Å
74	L	96.4	Very high	95.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	113.5	174.2	174.9	65.2	0	0	0	108.3	T9 L10 R58 I59 V77 D81 Y85	T9-L74 WeakPolarHBondContact CA-O 3.4Å; L10-L74 HydrophobicContact CB-CB 4.38Å; L10-L74 PolarHBondContact N-O 3.4Å; L10-L74 PolarHBondContact O-N 2.98Å; R58-L74 HydrophobicContact CB-CD1 3.89Å; I59-L74 HydrophobicContact CG2-CD1 3.54Å; L74-V77 HydrophobicContact CB-CG1 4.47Å; L74-V77 HydrophobicContact CD2-CG1 3.93Å; L74-V77 HydrophobicContact CG-CG1 3.91Å; L74-D81 HydrophobicContact CD2-CB 4Å; L74-Y85 HydrophobicContact CD2-CE1 4.46Å
75	N	95.5	Very high	95.8	Very high	50 Å²	50	46.8 Å²	46.8	27%	0.267	26%	0.257	S	S	.	.			trans	-89.8	151.9	-176.8	-63.9	-43.8	0	0	0	111.5	T9 R58	T9-N75 WeakPolarHBondContact CG2-OD1 3.41Å; T9-N75 PolarHBondContact OG1-OD1 2.87Å; R58-N75 PolarHBondContact O-N 2.89Å
76	S	93.6	Very high	95.9	Very high	72 Å²	72	45.2 Å²	45.2	50%	0.503	24%	0.242	S	C	.	.	S	Bend	trans	52.4	57	177	-54.8	0	0	0	0	111.7	Q8 R58	Q8-S76 PolarHBondContact O-N 3.37Å; R58-S76 PolarHBondContact NH1-O 3.1Å
77	V	94.7	Very high	95.9	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	21%	0.214	C	C	.	.			trans	-64.5	142.6	-179.2	-63.1	0	0	0	0	111.3	A4 K5 P6 S7 Q8 L10 L74 D81 V110	A4-V77 HydrophobicContact CB-CG2 4.31Å; K5-V77 WeakPolarHBondContact O-CG2 3.05Å; P6-V77 CarbonylContact C-O 3.5Å; P6-V77 WeakPolarHBondContact CA-O 3.39Å; S7-V77 PolarHBondContact N-O 3.07Å; Q8-V77 HydrophobicContact CB-CG2 4.49Å; Q8-V77 WeakPolarHBondContact O-CG2 3.42Å; Q8-V77 PolarHBondContact O-N 2.86Å; Q8-V77 VanDerWaalsContact O-N 3.09Å; L10-V77 HydrophobicContact CB-CG1 3.77Å; L74-V77 HydrophobicContact CB-CG1 4.47Å; L74-V77 HydrophobicContact CD2-CG1 3.93Å; L74-V77 HydrophobicContact CG-CG1 3.91Å; V77-D81 VanDerWaalsContact CA-OD2 3.26Å; V77-D81 WeakPolarHBondContact CA-OD2 3.4Å; V77-D81 HydrophobicContact CB-CB 4.39Å; V77-V110 HydrophobicContact CB-CG2 4.23Å; V77-V110 HydrophobicContact CG2-CG1 4.1Å; V77-V110 HydrophobicContact CG2-CG2 4.16Å
78	T	94.3	Very high	95.8	Very high	55 Å²	55	35.4 Å²	35.4	34%	0.337	19%	0.189	S	C	.	.			trans	-118.2	171.6	174.3	69	0	0	0	0	110.1	E80 D81 V110	T78-E80 PolarHBondContact O-N 2.87Å; T78-E80 WeakPolarHBondContact OG1-CB 3.35Å; T78-E80 PolarHBondContact OG1-N 2.93Å; T78-D81 PolarHBondContact N-OD2 2.79Å; T78-D81 WeakPolarHBondContact O-CB 3.2Å; T78-D81 PolarHBondContact O-N 2.82Å; T78-V110 VanDerWaalsContact O-CB 3.3Å; T78-V110 WeakPolarHBondContact O-CB 2.88Å; T78-V110 WeakPolarHBondContact O-CG1 3.21Å; T78-V110 WeakPolarHBondContact O-CG2 3.41Å
79	T	93.4	Very high	95.7	Very high	79 Å²	79	34.6 Å²	34.6	49%	0.485	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-56.3	-29.8	173.8	49.6	0	0	0	0	112.3	D81 T82	T79-D81 PolarHBondContact O-N 2.87Å; T79-T82 VanDerWaalsContact O-CB 3.26Å; T79-T82 WeakPolarHBondContact O-CB 3.16Å; T79-T82 PolarHBondContact O-N 3.05Å; T79-T82 VanDerWaalsContact O-N 3.15Å; T79-T82 PolarHBondContact O-OG1 3.05Å
80	E	92.7	Very high	95.2	Very high	152 Å²	152	35.3 Å²	35.3	71%	0.71	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-65.9	-21.2	175.4	-56.6	178	170.9	0	0	113	F32 T78 T82	F32-E80 VanDerWaalsContact CE1-O 3.28Å; F32-E80 WeakPolarHBondContact CE1-O 3.16Å; T78-E80 PolarHBondContact O-N 2.87Å; T78-E80 WeakPolarHBondContact OG1-CB 3.35Å; T78-E80 PolarHBondContact OG1-N 2.93Å; E80-T82 PolarHBondContact O-N 2.9Å
81	D	95	Very high	94	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.011	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-81.9	4.7	176.3	-60.6	-51.5	0	0	0	112.6	R30 R58 L74 V77 T78 T79 A83 Y85	R30-D81 IonicContact CZ-OD1 3.64Å; R30-D81 IonicContact NH1-OD1 3.62Å; R30-D81 PolarHBondContact NH1-OD1 3.04Å; R30-D81 IonicContact NH2-OD1 3.47Å; R58-D81 IonicContact CZ-OD1 2.74Å; R58-D81 IonicContact CZ-OD2 3.3Å; R58-D81 IonicContact NH1-OD1 3.65Å; R58-D81 PolarHBondContact NH1-OD1 3.36Å; R58-D81 IonicContact NH1-OD2 2.62Å; R58-D81 PolarHBondContact NH1-OD2 3.18Å; R58-D81 IonicContact NH2-OD1 2.7Å; R58-D81 PolarHBondContact NH2-OD1 2.76Å; R58-D81 IonicContact NH2-OD2 2.69Å; L74-D81 HydrophobicContact CD2-CB 4Å; V77-D81 VanDerWaalsContact CA-OD2 3.26Å; V77-D81 WeakPolarHBondContact CA-OD2 3.4Å; V77-D81 HydrophobicContact CB-CB 4.39Å; T78-D81 PolarHBondContact N-OD2 2.79Å; T78-D81 WeakPolarHBondContact O-CB 3.2Å; T78-D81 PolarHBondContact O-N 2.82Å; T79-D81 PolarHBondContact O-N 2.87Å; D81-A83 PolarHBondContact O-N 2.74Å; D81-A83 VanDerWaalsContact O-N 3.13Å; D81-Y85 PolarHBondContact O-OH 2.84Å
82	T	95.9	Very high	92.4	Very high	33 Å²	33	44.8 Å²	44.8	20%	0.202	22%	0.222	C	C	.	.			trans	-65.5	109.1	171.1	-65.6	0	0	0	0	110.4	T79 E80 V108 T109 V110	T79-T82 VanDerWaalsContact O-CB 3.26Å; T79-T82 WeakPolarHBondContact O-CB 3.16Å; T79-T82 PolarHBondContact O-N 3.05Å; T79-T82 VanDerWaalsContact O-N 3.15Å; T79-T82 PolarHBondContact O-OG1 3.05Å; E80-T82 PolarHBondContact O-N 2.9Å; T82-V108 WeakPolarHBondContact CA-O 3.38Å; T82-T109 HydrophobicContact CG2-CG2 4.35Å; T82-V110 PolarHBondContact OG1-N 3Å; T82-V110 PolarHBondContact OG1-O 2.58Å
83	A	97.1	Very high	90.8	Very high	3 Å²	3	45.5 Å²	45.5	3%	0.025	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	168.8	-175.9	0	0	0	0	0	111.1	R30 K31 F32 D81 Y85 V108	R30-A83 HydrophobicContact CB-CB 3.95Å; R30-A83 HydrophobicContact CG-CB 4.43Å; K31-A83 WeakPolarHBondContact O-CA 3.5Å; K31-A83 WeakPolarHBondContact O-CB 3.32Å; F32-A83 HydrophobicContact CD1-CB 4.02Å; F32-A83 HydrophobicContact CE1-CB 4.25Å; D81-A83 PolarHBondContact O-N 2.74Å; D81-A83 VanDerWaalsContact O-N 3.13Å; A83-Y85 HydrophobicContact CB-CD2 4.38Å; A83-Y85 HydrophobicContact CB-CE2 3.87Å; A83-Y85 WeakPolarHBondContact O-CD2 3.26Å; A83-V108 PolarHBondContact N-O 3.41Å; A83-V108 VanDerWaalsContact N-O 3.16Å; A83-V108 PolarHBondContact O-N 2.89Å
84	T	97.7	Very high	89	Confident	27 Å²	27	47.9 Å²	47.9	17%	0.166	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	122.3	162.5	-54.9	0	0	0	0	109.4	R30 K31 Y86 T106 T107	R30-T84 CarbonylContact C-O 3.47Å; R30-T84 WeakPolarHBondContact CA-O 3.3Å; K31-T84 PolarHBondContact N-O 3.47Å; K31-T84 PolarHBondContact O-N 3.18Å; T84-Y86 HydrophobicContact CG2-CD2 4.31Å; T84-Y86 HydrophobicContact CG2-CE1 4.15Å; T84-Y86 HydrophobicContact CG2-CE2 3.51Å; T84-Y86 VanDerWaalsContact CG2-CZ 3.43Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.41Å; T84-Y86 WeakPolarHBondContact O-CD2 3.44Å; T84-Y86 WeakPolarHBondContact O-CE2 3.48Å; T84-T106 WeakPolarHBondContact CA-O 3.39Å; T84-T107 PolarHBondContact OG1-OG1 2.97Å
85	Y	97.6	Very high	87.4	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.008	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	126	-176.1	-68	-101.2	0	0	0	109.9	L10 L12 R30 M40 L72 L74 D81 A83 G105 T106 V108	L10-Y85 HydrophobicContact CD2-CE2 4.24Å; L12-Y85 HydrophobicContact CD1-CD1 3.63Å; L12-Y85 HydrophobicContact CD1-CD2 4Å; L12-Y85 HydrophobicContact CD1-CE1 4.41Å; L12-Y85 HydrophobicContact CD1-CG 3.4Å; R30-Y85 HydrophobicContact CB-CD1 3.83Å; R30-Y85 HydrophobicContact CB-CE1 3.87Å; R30-Y85 HydrophobicContact CB-CG 4.27Å; R30-Y85 HydrophobicContact CG-CE1 4.46Å; R30-Y85 PolarHBondContact NH1-OH 2.84Å; M40-Y85 HydrophobicContact CE-CD1 4.44Å; M40-Y85 HydrophobicContact CE-CE1 3.9Å; M40-Y85 HydrophobicContact SD-CD1 3.72Å; M40-Y85 HydrophobicContact SD-CE1 3.66Å; L72-Y85 HydrophobicContact CD2-CD1 4.02Å; L72-Y85 HydrophobicContact CD2-CE1 4.38Å; L74-Y85 HydrophobicContact CD2-CE1 4.46Å; D81-Y85 PolarHBondContact O-OH 2.84Å; A83-Y85 HydrophobicContact CB-CD2 4.38Å; A83-Y85 HydrophobicContact CB-CE2 3.87Å; A83-Y85 WeakPolarHBondContact O-CD2 3.26Å; Y85-G105 CarbonylContact O-C 3.56Å; Y85-G105 VanDerWaalsContact O-CA 3.26Å; Y85-G105 WeakPolarHBondContact O-CA 3.49Å; Y85-T106 PolarHBondContact N-O 2.78Å; Y85-T106 PolarHBondContact O-N 3.02Å; Y85-V108 HydrophobicContact CD2-CB 4.13Å; Y85-V108 HydrophobicContact CD2-CG2 3.95Å; Y85-V108 HydrophobicContact CE2-CB 3.91Å; Y85-V108 HydrophobicContact CE2-CG2 4.15Å
86	Y	97.2	Very high	85.5	Confident	46 Å²	46	58.1 Å²	58.1	18%	0.18	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	136.8	-177.9	-62.1	-91	0	0	0	109.9	W28 I29 K31 T84 W102 G103	W28-Y86 WeakPolarHBondContact CA-O 3.45Å; I29-Y86 PolarHBondContact N-O 2.82Å; I29-Y86 PolarHBondContact O-N 3.07Å; K31-Y86 HydrophobicContact CB-CD2 4.28Å; K31-Y86 HydrophobicContact CB-CE2 3.64Å; K31-Y86 HydrophobicContact CD-CE2 4.25Å; T84-Y86 HydrophobicContact CG2-CD2 4.31Å; T84-Y86 HydrophobicContact CG2-CE1 4.15Å; T84-Y86 HydrophobicContact CG2-CE2 3.51Å; T84-Y86 VanDerWaalsContact CG2-CZ 3.43Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.41Å; T84-Y86 WeakPolarHBondContact O-CD2 3.44Å; T84-Y86 WeakPolarHBondContact O-CE2 3.48Å; Y86-W102 HydrophobicContact CD1-CE3 4.24Å; Y86-W102 HydrophobicContact CG-CE3 4.07Å; Y86-W102 HydrophobicContact CG-CZ3 4.21Å; Y86-G103 WeakPolarHBondContact CD1-O 3.44Å
87	C	95.4	Very high	84.4	Confident	18 Å²	18	61.8 Å²	61.8	12%	0.122	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	142.6	157.1	34.6	0	0	0	0	110.4	C14 N27 Y70 G103	C14-C87 HydrophobicContact CB-CB 3.45Å; C14-C87 VanDerWaalsContact CB-CB 3.45Å; C14-C87 WeakPolarHBondContact CB-SG 3.41Å; C14-C87 WeakPolarHBondContact SG-CB 3.41Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 3.46Å; N27-C87 WeakPolarHBondContact O-CA 3.32Å; Y70-C87 HydrophobicContact CE1-CB 4.16Å; Y70-C87 HydrophobicContact CE2-CB 4.31Å; Y70-C87 WeakPolarHBondContact OH-CA 3.46Å; Y70-C87 WeakPolarHBondContact OH-CB 3.31Å; C87-G103 PolarHBondContact O-N 3.49Å
88	A	94.6	Very high	83.4	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.008	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	140.6	173.6	0	0	0	0	0	111.9	N27 I29 Y70 F99 V101 W102	N27-A88 HydrophobicContact CB-CB 4.46Å; N27-A88 WeakPolarHBondContact CB-O 3.49Å; N27-A88 PolarHBondContact N-O 2.77Å; N27-A88 PolarHBondContact ND2-O 3.15Å; N27-A88 VanDerWaalsContact ND2-O 3.16Å; N27-A88 PolarHBondContact O-N 3.17Å; I29-A88 HydrophobicContact CD1-CB 4.08Å; Y70-A88 PolarHBondContact OH-N 2.95Å; A88-F99 HydrophobicContact CB-CB 4.25Å; A88-F99 HydrophobicContact CB-CD1 3.78Å; A88-F99 HydrophobicContact CB-CE1 4.45Å; A88-F99 HydrophobicContact CB-CG 4.15Å; A88-V101 CarbonylContact C-O 3.6Å; A88-V101 WeakPolarHBondContact CA-O 3.46Å; A88-W102 HydrophobicContact CB-CD2 4.03Å; A88-W102 HydrophobicContact CB-CE3 4.27Å; A88-W102 HydrophobicContact CB-CG 4.4Å
89	R	92.5	Very high	82.8	Confident	19 Å²	19	68.5 Å²	68.5	7%	0.072	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	136.2	168.5	-171.3	176.6	73.4	165.2	-11	109.4	D24 W26 F99 D100 V101	D24-R89 HydrophobicContact CB-CG 3.93Å; D24-R89 IonicContact OD2-NH1 3.08Å; D24-R89 PolarHBondContact OD2-NH1 3.27Å; W26-R89 HydrophobicContact CE3-CB 4.05Å; W26-R89 HydrophobicContact CE3-CG 4.32Å; W26-R89 HydrophobicContact CH2-CB 3.98Å; W26-R89 HydrophobicContact CH2-CG 3.82Å; W26-R89 HydrophobicContact CZ2-CG 4.13Å; W26-R89 HydrophobicContact CZ3-CB 3.61Å; W26-R89 HydrophobicContact CZ3-CG 3.92Å; R89-F99 VanDerWaalsContact O-CA 3.31Å; R89-F99 WeakPolarHBondContact O-CA 3.16Å; R89-D100 IonicContact CZ-OD1 3.66Å; R89-D100 IonicContact CZ-OD2 3.7Å; R89-D100 VanDerWaalsContact CZ-OD2 3.3Å; R89-D100 IonicContact NE-OD1 3.41Å; R89-D100 PolarHBondContact NE-OD1 3.09Å; R89-D100 IonicContact NE-OD2 2.93Å; R89-D100 PolarHBondContact NE-OD2 3.49Å; R89-D100 IonicContact NH2-OD1 2.73Å; R89-D100 IonicContact NH2-OD2 3.32Å; R89-D100 PolarHBondContact NH2-OD2 3.32Å; R89-D100 PolarHBondContact O-N 2.84Å; R89-V101 HydrophobicContact CB-CB 3.95Å; R89-V101 HydrophobicContact CB-CG2 4.49Å; R89-V101 PolarHBondContact N-O 3.33Å
90	Y	86.2	Confident	82.2	Confident	57 Å²	57	67.3 Å²	67.3	22%	0.224	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	115.8	168.4	178.9	-90.3	0	0	0	108.7	Y25 N27 W97 F99	Y25-Y90 HydrophobicContact CD2-CD1 4.17Å; Y25-Y90 HydrophobicContact CG-CD1 4.35Å; Y25-Y90 PolarHBondContact N-O 3.04Å; Y25-Y90 PolarHBondContact O-N 3.35Å; N27-Y90 WeakPolarHBondContact ND2-CB 3.48Å; N27-Y90 PolarHBondContact ND2-N 3.31Å; Y90-W97 HydrophobicContact CE1-CE3 4.16Å; Y90-W97 HydrophobicContact CE1-CZ3 4.45Å; Y90-W97 HydrophobicContact CE2-CB 4.29Å; Y90-W97 AromaticContact CZ-CE3 3.75Å; Y90-W97 WeakPolarHBondContact OH-CZ3 3.39Å; Y90-F99 HydrophobicContact CD2-CD1 4.17Å; Y90-F99 AromaticContact CD2-CE1 3.88Å; Y90-F99 HydrophobicContact CD2-CE1 3.88Å; Y90-F99 HydrophobicContact CD2-CZ 4.38Å; Y90-F99 HydrophobicContact CG-CE1 4.4Å
91	Y	71.8	Confident	81.8	Confident	98 Å²	98	62.4 Å²	62.4	38%	0.384	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	131.4	-178.6	177.7	-108.7	0	0	0	110.4	G93	Y91-G93 VanDerWaalsContact CE1-CA 3.45Å; Y91-G93 PolarHBondContact O-N 3.21Å
92	Y	64.5	Low	81.7	Confident	145 Å²	145	67.4 Å²	67.4	57%	0.569	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	89.4	175.1	-157.2	-66.7	0	0	0	109	W97	Y92-W97 HydrophobicContact CD1-CZ3 4.42Å; Y92-W97 HydrophobicContact CD2-CE3 4.23Å; Y92-W97 HydrophobicContact CD2-CH2 4.07Å; Y92-W97 AromaticContact CD2-CZ3 3.35Å; Y92-W97 HydrophobicContact CD2-CZ3 3.35Å; Y92-W97 HydrophobicContact CE1-CH2 4.08Å; Y92-W97 HydrophobicContact CE1-CZ3 4.12Å; Y92-W97 HydrophobicContact CE2-CE3 4.23Å; Y92-W97 AromaticContact CE2-CH2 3.26Å; Y92-W97 HydrophobicContact CE2-CH2 3.26Å; Y92-W97 AromaticContact CE2-CZ3 3.02Å; Y92-W97 HydrophobicContact CE2-CZ3 3.02Å; Y92-W97 HydrophobicContact CG-CZ3 4.06Å; Y92-W97 AromaticContact CZ-CH2 3.23Å; Y92-W97 AromaticContact CZ-CZ3 3.43Å; Y92-W97 VanDerWaalsContact CZ-CZ3 3.43Å; Y92-W97 WeakPolarHBondContact OH-CH2 3.33Å
93	G	63.4	Low	81.5	Confident	16 Å²	16	67 Å²	67	17%	0.165	32%	0.322	C	S	.	.			trans	-91.6	174.5	174.9	0	0	0	0	0	113.2	Y91 S95	Y91-G93 VanDerWaalsContact CE1-CA 3.45Å; Y91-G93 PolarHBondContact O-N 3.21Å; G93-S95 PolarHBondContact O-N 2.89Å
94	S	60.1	Low	81.2	Confident	130 Å²	130	73.9 Å²	73.9	91%	0.909	36%	0.364	S	S	*	.	S	Bend	trans	-67.3	-3.9	-170.7	47	0	0	0	0	116.7
95	S	62.2	Low	81.1	Confident	89 Å²	89	73.7 Å²	73.7	62%	0.622	37%	0.367	S	S	*	.	S	Bend	trans	-162.1	-1.6	175.3	-52	0	0	0	0	116.3	G93	G93-S95 PolarHBondContact O-N 2.89Å
96	Y	56.3	Low	81	Confident	175 Å²	175	76.5 Å²	76.5	69%	0.686	38%	0.384	S	S	*	.			trans	-141.3	148.7	-171.9	-68.3	-78	0	0	0	113.2
97	W	70.3	Confident	80.9	Confident	149 Å²	149	77.3 Å²	77.3	56%	0.564	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	107	-175.3	-44.4	103.5	0	0	0	109.1	Y90 Y92	Y90-W97 HydrophobicContact CE1-CE3 4.16Å; Y90-W97 HydrophobicContact CE1-CZ3 4.45Å; Y90-W97 HydrophobicContact CE2-CB 4.29Å; Y90-W97 AromaticContact CZ-CE3 3.75Å; Y90-W97 WeakPolarHBondContact OH-CZ3 3.39Å; Y92-W97 HydrophobicContact CD1-CZ3 4.42Å; Y92-W97 HydrophobicContact CD2-CE3 4.23Å; Y92-W97 HydrophobicContact CD2-CH2 4.07Å; Y92-W97 AromaticContact CD2-CZ3 3.35Å; Y92-W97 HydrophobicContact CD2-CZ3 3.35Å; Y92-W97 HydrophobicContact CE1-CH2 4.08Å; Y92-W97 HydrophobicContact CE1-CZ3 4.12Å; Y92-W97 HydrophobicContact CE2-CE3 4.23Å; Y92-W97 AromaticContact CE2-CH2 3.26Å; Y92-W97 HydrophobicContact CE2-CH2 3.26Å; Y92-W97 AromaticContact CE2-CZ3 3.02Å; Y92-W97 HydrophobicContact CE2-CZ3 3.02Å; Y92-W97 HydrophobicContact CG-CZ3 4.06Å; Y92-W97 AromaticContact CZ-CH2 3.23Å; Y92-W97 AromaticContact CZ-CZ3 3.43Å; Y92-W97 VanDerWaalsContact CZ-CZ3 3.43Å; Y92-W97 WeakPolarHBondContact OH-CH2 3.33Å
98	Y	72.9	Confident	80.9	Confident	129 Å²	129	76.5 Å²	76.5	51%	0.506	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	157.6	175.9	61.4	-83.5	0	0	0	112.8	D100	Y98-D100 HydrophobicContact CD2-CB 3.82Å; Y98-D100 HydrophobicContact CE2-CB 3.51Å
99	F	82.4	Confident	80.8	Confident	68 Å²	68	79.3 Å²	79.3	30%	0.298	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	111	169.4	-61.9	-67	0	0	0	108.7	N27 I29 Y39 A88 R89 Y90 W102	N27-F99 HydrophobicContact CB-CE1 3.85Å; N27-F99 VanDerWaalsContact CG-CE1 3.48Å; I29-F99 HydrophobicContact CD1-CD2 4.12Å; I29-F99 HydrophobicContact CD1-CE1 4.29Å; I29-F99 HydrophobicContact CD1-CE2 3.83Å; I29-F99 HydrophobicContact CD1-CG 4.47Å; I29-F99 HydrophobicContact CD1-CZ 3.93Å; Y39-F99 HydrophobicContact CD2-CZ 4.5Å; Y39-F99 HydrophobicContact CE2-CZ 4.43Å; A88-F99 HydrophobicContact CB-CB 4.25Å; A88-F99 HydrophobicContact CB-CD1 3.78Å; A88-F99 HydrophobicContact CB-CE1 4.45Å; A88-F99 HydrophobicContact CB-CG 4.15Å; R89-F99 VanDerWaalsContact O-CA 3.31Å; R89-F99 WeakPolarHBondContact O-CA 3.16Å; Y90-F99 HydrophobicContact CD2-CD1 4.17Å; Y90-F99 AromaticContact CD2-CE1 3.88Å; Y90-F99 HydrophobicContact CD2-CE1 3.88Å; Y90-F99 HydrophobicContact CD2-CZ 4.38Å; Y90-F99 HydrophobicContact CG-CE1 4.4Å; F99-W102 HydrophobicContact CB-CZ2 3.86Å; F99-W102 VanDerWaalsContact CB-NE1 3.28Å; F99-W102 AromaticContact CD2-CZ2 3.88Å; F99-W102 HydrophobicContact CD2-CZ2 3.88Å; F99-W102 HydrophobicContact CG-CZ2 4.07Å; F99-W102 PolarHBondContact O-NE1 3.3Å
100	D	80.3	Confident	80.7	Confident	55 Å²	55	78.7 Å²	78.7	29%	0.294	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-24.9	-172.5	66.1	-16.4	0	0	0	113.4	R89 Y98	R89-D100 IonicContact CZ-OD1 3.66Å; R89-D100 IonicContact CZ-OD2 3.7Å; R89-D100 VanDerWaalsContact CZ-OD2 3.3Å; R89-D100 IonicContact NE-OD1 3.41Å; R89-D100 PolarHBondContact NE-OD1 3.09Å; R89-D100 IonicContact NE-OD2 2.93Å; R89-D100 PolarHBondContact NE-OD2 3.49Å; R89-D100 IonicContact NH2-OD1 2.73Å; R89-D100 IonicContact NH2-OD2 3.32Å; R89-D100 PolarHBondContact NH2-OD2 3.32Å; R89-D100 PolarHBondContact O-N 2.84Å; Y98-D100 HydrophobicContact CD2-CB 3.82Å; Y98-D100 HydrophobicContact CE2-CB 3.51Å
101	V	84.3	Confident	80.8	Confident	48 Å²	48	78.6 Å²	78.6	29%	0.291	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127.3	177	-177.5	0	0	0	0	109.6	Y19 A88 R89	Y19-V101 HydrophobicContact CE2-CG2 3.81Å; A88-V101 CarbonylContact C-O 3.6Å; A88-V101 WeakPolarHBondContact CA-O 3.46Å; R89-V101 HydrophobicContact CB-CB 3.95Å; R89-V101 HydrophobicContact CB-CG2 4.49Å; R89-V101 PolarHBondContact N-O 3.33Å
102	W	92.1	Very high	81	Confident	108 Å²	108	81.6 Å²	81.6	41%	0.409	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137.4	175.6	-70.8	71.7	0	0	0	110.4	I29 Y86 A88 F99	I29-W102 HydrophobicContact CB-CH2 4.4Å; I29-W102 HydrophobicContact CB-CZ3 4.18Å; I29-W102 HydrophobicContact CD1-CH2 3.27Å; I29-W102 HydrophobicContact CD1-CZ2 3.89Å; I29-W102 HydrophobicContact CD1-CZ3 3.71Å; I29-W102 HydrophobicContact CG1-CH2 4.4Å; I29-W102 HydrophobicContact CG2-CH2 4.22Å; I29-W102 HydrophobicContact CG2-CZ3 4.22Å; Y86-W102 HydrophobicContact CD1-CE3 4.24Å; Y86-W102 HydrophobicContact CG-CE3 4.07Å; Y86-W102 HydrophobicContact CG-CZ3 4.21Å; A88-W102 HydrophobicContact CB-CD2 4.03Å; A88-W102 HydrophobicContact CB-CE3 4.27Å; A88-W102 HydrophobicContact CB-CG 4.4Å; F99-W102 HydrophobicContact CB-CZ2 3.86Å; F99-W102 VanDerWaalsContact CB-NE1 3.28Å; F99-W102 AromaticContact CD2-CZ2 3.88Å; F99-W102 HydrophobicContact CD2-CZ2 3.88Å; F99-W102 HydrophobicContact CG-CZ2 4.07Å; F99-W102 PolarHBondContact O-NE1 3.3Å
103	G	91.8	Very high	81.8	Confident	25 Å²	25	78.4 Å²	78.4	26%	0.258	44%	0.441	S	S	.	.			trans	-67.4	162.1	166.9	0	0	0	0	0	111.3	Y86 C87 G105	Y86-G103 WeakPolarHBondContact CD1-O 3.44Å; C87-G103 PolarHBondContact O-N 3.49Å; G103-G105 PolarHBondContact O-N 2.73Å; G103-G105 VanDerWaalsContact O-N 3.14Å
104	T	92.6	Very high	82.7	Confident	147 Å²	147	81.7 Å²	81.7	90%	0.902	46%	0.455	S	S	*	.			trans	-63.5	-18.7	178.5	51	0	0	0	0	113.7
105	G	93.6	Very high	84	Confident	22 Å²	22	79 Å²	79	23%	0.227	43%	0.43	C	S	.	.			trans	87	145.2	179.1	0	0	0	0	0	112.9	Y85 G103	Y85-G105 CarbonylContact O-C 3.56Å; Y85-G105 VanDerWaalsContact O-CA 3.26Å; Y85-G105 WeakPolarHBondContact O-CA 3.49Å; G103-G105 PolarHBondContact O-N 2.73Å; G103-G105 VanDerWaalsContact O-N 3.14Å
106	T	95.5	Very high	85.3	Confident	61 Å²	61	78.4 Å²	78.4	37%	0.374	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	112.6	176.8	-62	0	0	0	0	109.2	L12 T84 Y85 V108	L12-T106 HydrophobicContact CD2-CG2 4.01Å; T84-T106 WeakPolarHBondContact CA-O 3.39Å; Y85-T106 PolarHBondContact N-O 2.78Å; Y85-T106 PolarHBondContact O-N 3.02Å; T106-V108 HydrophobicContact CG2-CG2 4.28Å; T106-V108 PolarHBondContact O-N 3.23Å
107	T	96.1	Very high	87.1	Confident	63 Å²	63	72.4 Å²	72.4	39%	0.387	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	123.9	173.4	-51.7	0	0	0	0	110.2	P1 G2 T84	P1-T107 CarbonylContact C-O 3.59Å; P1-T107 WeakPolarHBondContact CA-O 2.87Å; G2-T107 PolarHBondContact N-O 2.77Å; T84-T107 PolarHBondContact OG1-OG1 2.97Å
108	V	95	Very high	88.2	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.006	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.5	173.5	179.5	0	0	0	0	108.6	G2 A4 L10 L12 T82 A83 Y85 T106 V110	G2-V108 WeakPolarHBondContact O-CA 3.46Å; A4-V108 HydrophobicContact CB-CG1 4.49Å; L10-V108 HydrophobicContact CD1-CG1 4.07Å; L10-V108 HydrophobicContact CD1-CG2 4.01Å; L10-V108 HydrophobicContact CD2-CB 4.39Å; L10-V108 HydrophobicContact CD2-CG1 4.04Å; L10-V108 HydrophobicContact CD2-CG2 4.06Å; L12-V108 HydrophobicContact CD2-CG2 4.17Å; T82-V108 WeakPolarHBondContact CA-O 3.38Å; A83-V108 PolarHBondContact N-O 3.41Å; A83-V108 VanDerWaalsContact N-O 3.16Å; A83-V108 PolarHBondContact O-N 2.89Å; Y85-V108 HydrophobicContact CD2-CB 4.13Å; Y85-V108 HydrophobicContact CD2-CG2 3.95Å; Y85-V108 HydrophobicContact CE2-CB 3.91Å; Y85-V108 HydrophobicContact CE2-CG2 4.15Å; T106-V108 HydrophobicContact CG2-CG2 4.28Å; T106-V108 PolarHBondContact O-N 3.23Å; V108-V110 HydrophobicContact CG1-CG2 4.38Å
109	T	93.9	Very high	89.3	Confident	60 Å²	60	62.9 Å²	62.9	37%	0.368	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.9	175.7	-54.5	0	0	0	0	108.7	G2 A4 T82	G2-T109 PolarHBondContact O-N 2.9Å; A4-T109 PolarHBondContact N-O 2.7Å; T82-T109 HydrophobicContact CG2-CG2 4.35Å
110	V	90.4	Very high	89.8	Confident	6 Å²	6	62.5 Å²	62.5	4%	0.036	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	116.8	175.5	-172.2	0	0	0	0	107.6	A4 P6 V77 T78 T82 V108	A4-V110 HydrophobicContact CB-CG2 4.33Å; A4-V110 WeakPolarHBondContact O-CA 3.47Å; P6-V110 HydrophobicContact CG-CG1 4.25Å; V77-V110 HydrophobicContact CB-CG2 4.23Å; V77-V110 HydrophobicContact CG2-CG1 4.1Å; V77-V110 HydrophobicContact CG2-CG2 4.16Å; T78-V110 VanDerWaalsContact O-CB 3.3Å; T78-V110 WeakPolarHBondContact O-CB 2.88Å; T78-V110 WeakPolarHBondContact O-CG1 3.21Å; T78-V110 WeakPolarHBondContact O-CG2 3.41Å; T82-V110 PolarHBondContact OG1-N 3Å; T82-V110 PolarHBondContact OG1-O 2.58Å; V108-V110 HydrophobicContact CG1-CG2 4.38Å
111	S	86.7	Confident	90.6	Very high	55 Å²	55	63.1 Å²	63.1	39%	0.385	40%	0.397	S	S	.	.			trans	-130.1	141.9	-178.8	59.8	0	0	0	0	110.5	P6	P6-S111 WeakPolarHBondContact CD-O 3.32Å
112	S	75.6	Confident	91.2	Very high	161 Å²	161	64.5 Å²	64.5	100%	1.126	41%	0.407	S	S	*	.			trans	-66.4	0	172.9	55.9	0	0	0	0	112.5

Retrieved 112 of 112 residues in 25.2 ms (Link to these results)

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