X5J5D3_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5D3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 aa.

						>X5J5D3_MOUSE|X5J5D3
PSLVKPSQTLSLTCSVSGDSITSGYWNWIRQFPGNKLEWMGYINYSGSTSYNPSLKSRISITRDTSKNQFFLQLNSVTPEDTGTYYCARGYYGSSYFDYWGQGTTLTVSS
					

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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	62.8	Low	85	Confident	139 Å²	139	82.5 Å²	82.5	90%	0.903	48%	0.484	S	S	*	.				0	121.3	0	-3.4	23.9	0	0	0	110.2	T105	P1-T105 CarbonylContact C-O 3.52Å; P1-T105 WeakPolarHBondContact CA-O 3.45Å; P1-T105 HydrophobicContact CB-CG2 4.37Å
2	S	78.9	Confident	85.9	Confident	65 Å²	65	76.8 Å²	76.8	46%	0.455	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.8	175.5	-49.4	0	0	0	0	110	T105 L106 T107	S2-T105 PolarHBondContact N-O 2.74Å; S2-L106 WeakPolarHBondContact O-CA 3.28Å; S2-T107 PolarHBondContact O-N 3.41Å
3	L	81.9	Confident	86.7	Confident	130 Å²	130	76.5 Å²	76.5	68%	0.681	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	126.9	178.9	-167.1	68.7	0	0	0	109.8	T107 S109	L3-T107 WeakPolarHBondContact CA-O 3.19Å; L3-T107 HydrophobicContact CD1-CG2 4.19Å; L3-S109 WeakPolarHBondContact CD1-OG 3.37Å
4	V	83.7	Confident	87.3	Confident	20 Å²	20	71.9 Å²	71.9	12%	0.121	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	140.4	-178.8	-172.4	0	0	0	0	109.2	Q8 V77 T107 V108 S109	V4-Q8 HydrophobicContact CG1-CB 4.04Å; V4-V77 HydrophobicContact CG1-CG2 3.94Å; V4-T107 PolarHBondContact N-O 2.58Å; V4-V108 HydrophobicContact CB-CG2 4.42Å; V4-V108 WeakPolarHBondContact O-CA 3.38Å; V4-S109 PolarHBondContact O-N 2.9Å
5	K	84.4	Confident	87.8	Confident	138 Å²	138	71.9 Å²	71.9	60%	0.6	43%	0.429	S	S	*	.			trans	-81.7	150.7	176.5	-66.2	-174.3	178.4	-174.9	0	110.6	Q8 V77	K5-Q8 HydrophobicContact CB-CG 4.19Å; K5-Q8 WeakPolarHBondContact O-CB 3.36Å; K5-Q8 WeakPolarHBondContact O-CG 3.34Å; K5-Q8 PolarHBondContact O-N 3.3Å; K5-V77 WeakPolarHBondContact O-CG2 2.93Å
6	P	86.8	Confident	88	Confident	48 Å²	48	68.6 Å²	68.6	31%	0.312	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	154.9	174.1	-24.8	34.1	0	0	0	112.8	Q8 V77 V108 S109	P6-Q8 PolarHBondContact O-N 3.03Å; P6-Q8 VanDerWaalsContact O-N 3.08Å; P6-V77 CarbonylContact C-O 3.48Å; P6-V77 WeakPolarHBondContact CA-O 3.41Å; P6-V108 HydrophobicContact CG-CG1 4.27Å; P6-S109 WeakPolarHBondContact CD-O 3.4Å
7	S	87.8	Confident	88.1	Confident	101 Å²	101	71.1 Å²	71.1	71%	0.706	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	1.9	179.8	-52.1	0	0	0	0	115.5	V77	S7-V77 PolarHBondContact N-O 2.9Å
8	Q	89.9	Confident	87.9	Confident	93 Å²	93	72.4 Å²	72.4	44%	0.435	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-77.2	162.7	172	-65.4	-171.1	-46.4	0	0	111.5	V4 K5 P6 S76 V77	V4-Q8 HydrophobicContact CG1-CB 4.04Å; K5-Q8 HydrophobicContact CB-CG 4.19Å; K5-Q8 WeakPolarHBondContact O-CB 3.36Å; K5-Q8 WeakPolarHBondContact O-CG 3.34Å; K5-Q8 PolarHBondContact O-N 3.3Å; P6-Q8 PolarHBondContact O-N 3.03Å; P6-Q8 VanDerWaalsContact O-N 3.08Å; Q8-S76 PolarHBondContact O-N 3.16Å; Q8-V77 HydrophobicContact CB-CG2 4.41Å; Q8-V77 WeakPolarHBondContact O-CG2 3.19Å; Q8-V77 PolarHBondContact O-N 2.82Å; Q8-V77 VanDerWaalsContact O-N 3.09Å
9	T	92.3	Very high	87.6	Confident	76 Å²	76	71.3 Å²	71.3	47%	0.466	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-93.6	124.3	168	-66.6	0	0	0	0	109.1	Q73 L74 N75	T9-Q73 HydrophobicContact CG2-CG 3.44Å; T9-Q73 VanDerWaalsContact CG2-CG 3.44Å; T9-L74 WeakPolarHBondContact CA-O 2.98Å; T9-N75 WeakPolarHBondContact CG2-OD1 3.42Å; T9-N75 PolarHBondContact OG1-OD1 3.29Å
10	L	91.6	Very high	87.6	Confident	18 Å²	18	69.9 Å²	69.9	9%	0.094	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.2	170.5	171.7	68.4	0	0	0	109.3	L12 Q73 L74 V77 L106	L10-L12 HydrophobicContact CD1-CD2 4.28Å; L10-L12 HydrophobicContact CD1-CG 4.26Å; L10-L12 HydrophobicContact CD2-CD1 4.1Å; L10-L12 HydrophobicContact CD2-CG 4.18Å; L10-L12 HydrophobicContact CG-CG 4.12Å; L10-Q73 CarbonylContact O-C 3.56Å; L10-Q73 WeakPolarHBondContact O-CA 3.5Å; L10-L74 HydrophobicContact CB-CB 4.37Å; L10-L74 HydrophobicContact CD2-CD2 4.45Å; L10-L74 PolarHBondContact N-O 3.27Å; L10-L74 PolarHBondContact O-N 3.18Å; L10-V77 HydrophobicContact CB-CG1 3.82Å; L10-L106 HydrophobicContact CD1-CD1 3.39Å; L10-L106 HydrophobicContact CD1-CD2 4.42Å; L10-L106 HydrophobicContact CD2-CD1 3.14Å; L10-L106 HydrophobicContact CG-CD1 3.84Å
11	S	94.6	Very high	87.7	Confident	79 Å²	79	66.7 Å²	66.7	55%	0.552	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.1	169.8	-171.7	0	0	0	0	109.5	L72	S11-L72 CarbonylContact C-O 3.59Å; S11-L72 WeakPolarHBondContact CA-O 3.49Å
12	L	95.9	Very high	88.9	Confident	14 Å²	14	63.2 Å²	63.2	7%	0.073	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	142	176.9	-70	175.3	0	0	0	110.1	L10 W28 F71 L72 Y85 T104 L106	L10-L12 HydrophobicContact CD1-CD2 4.28Å; L10-L12 HydrophobicContact CD1-CG 4.26Å; L10-L12 HydrophobicContact CD2-CD1 4.1Å; L10-L12 HydrophobicContact CD2-CG 4.18Å; L10-L12 HydrophobicContact CG-CG 4.12Å; L12-W28 HydrophobicContact CB-CH2 3.61Å; L12-W28 HydrophobicContact CB-CZ2 4.17Å; L12-W28 HydrophobicContact CB-CZ3 4.01Å; L12-W28 HydrophobicContact CD1-CH2 4.49Å; L12-W28 HydrophobicContact CD1-CZ3 4.04Å; L12-F71 CarbonylContact O-C 3.52Å; L12-F71 WeakPolarHBondContact O-CA 3.35Å; L12-L72 HydrophobicContact CB-CB 4.34Å; L12-L72 HydrophobicContact CD1-CD2 4.3Å; L12-L72 PolarHBondContact N-O 3.43Å; L12-L72 PolarHBondContact O-N 2.86Å; L12-Y85 VanDerWaalsContact CD1-CB 3.43Å; L12-Y85 HydrophobicContact CD1-CD1 3.68Å; L12-Y85 HydrophobicContact CD1-CD2 4.21Å; L12-Y85 HydrophobicContact CD1-CE1 4.48Å; L12-Y85 HydrophobicContact CD1-CG 3.51Å; L12-T104 HydrophobicContact CD2-CG2 4.17Å; L12-L106 HydrophobicContact CD1-CD1 4.27Å; L12-L106 HydrophobicContact CD2-CD1 4.15Å; L12-L106 HydrophobicContact CG-CD1 4.49Å
13	T	96.5	Very high	89.2	Confident	74 Å²	74	62 Å²	62	45%	0.454	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.7	178.2	-56.8	0	0	0	0	109.2	Q69 F71	T13-Q69 HydrophobicContact CG2-CB 4.45Å; T13-Q69 HydrophobicContact CG2-CG 4.14Å; T13-F71 HydrophobicContact CG2-CD1 3.82Å; T13-F71 HydrophobicContact CG2-CE1 3.47Å; T13-F71 VanDerWaalsContact CG2-CE1 3.47Å; T13-F71 HydrophobicContact CG2-CZ 4.36Å; T13-F71 VanDerWaalsContact OG1-CD1 3.3Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.15Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.2Å
14	C	95.3	Very high	89.4	Confident	12 Å²	12	56 Å²	56	8%	0.081	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122.7	164.7	-174.5	0	0	0	0	109.4	W28 Q69 F70 C87	C14-W28 HydrophobicContact CB-CH2 3.99Å; C14-W28 HydrophobicContact CB-CZ2 3.96Å; C14-Q69 WeakPolarHBondContact O-CA 3.42Å; C14-F70 HydrophobicContact CB-CD1 3.93Å; C14-F70 HydrophobicContact CB-CE1 3.48Å; C14-F70 VanDerWaalsContact CB-CE1 3.48Å; C14-F70 HydrophobicContact CB-CE2 4.28Å; C14-F70 HydrophobicContact CB-CZ 3.7Å; C14-F70 PolarHBondContact N-O 3.46Å; C14-F70 PolarHBondContact O-N 2.75Å; C14-F70 VanDerWaalsContact SG-CE1 3.54Å; C14-C87 HydrophobicContact CB-CB 3.46Å; C14-C87 VanDerWaalsContact CB-CB 3.46Å; C14-C87 WeakPolarHBondContact CB-SG 3.46Å; C14-C87 WeakPolarHBondContact SG-CB 3.36Å; C14-C87 CovalentContact SG-SG 2.04Å; C14-C87 PolarHBondContact SG-SG 3.03Å
15	S	94.6	Very high	89.8	Confident	72 Å²	72	56.7 Å²	56.7	50%	0.503	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	123	174.7	-55.6	0	0	0	0	108.8	Q69	S15-Q69 WeakPolarHBondContact OG-CG 3.39Å; S15-Q69 PolarHBondContact OG-NE2 3.01Å
16	V	91	Very high	90.3	Very high	18 Å²	18	50.9 Å²	50.9	11%	0.109	34%	0.336	C	S	.	.			trans	-88.9	133.9	178.7	178.4	0	0	0	0	108.8	D19 I21 W26 N68 F70	V16-D19 HydrophobicContact CG1-CB 3.99Å; V16-D19 WeakPolarHBondContact CG1-O 3.37Å; V16-I21 HydrophobicContact CB-CG2 3.97Å; V16-I21 HydrophobicContact CG2-CG2 3.71Å; V16-W26 HydrophobicContact CB-CH2 4.24Å; V16-W26 HydrophobicContact CB-CZ2 4.42Å; V16-W26 HydrophobicContact CG1-CH2 3.53Å; V16-W26 HydrophobicContact CG1-CZ2 3.71Å; V16-W26 HydrophobicContact CG1-CZ3 4.39Å; V16-W26 HydrophobicContact CG2-CD2 4.21Å; V16-W26 HydrophobicContact CG2-CE3 4Å; V16-W26 HydrophobicContact CG2-CH2 3.59Å; V16-W26 HydrophobicContact CG2-CZ2 3.84Å; V16-W26 HydrophobicContact CG2-CZ3 3.68Å; V16-N68 PolarHBondContact N-O 2.85Å; V16-N68 PolarHBondContact O-ND2 3.09Å; V16-F70 HydrophobicContact CG2-CD1 4.27Å; V16-F70 HydrophobicContact CG2-CE1 4.06Å
17	S	89.4	Confident	90.7	Very high	112 Å²	112	49 Å²	49	78%	0.783	32%	0.323	S	S	*	.			trans	-128.1	142	176.6	61	0	0	0	0	109.4	D19	S17-D19 PolarHBondContact O-N 2.86Å
18	G	85.1	Confident	91.1	Very high	95 Å²	95	44.5 Å²	44.5	98%	0.979	29%	0.291	S	S	*	.	S	Bend	trans	75.3	-2	-177.5	0	0	0	0	0	115.8
19	D	82.3	Confident	91.3	Very high	50 Å²	50	40.3 Å²	40.3	27%	0.267	27%	0.271	S	S	.	.	S	Bend	trans	-148.1	173.6	176.9	-158.1	-17.7	0	0	0	109.6	V16 S17 S23 N68 R89	V16-D19 HydrophobicContact CG1-CB 3.99Å; V16-D19 WeakPolarHBondContact CG1-O 3.37Å; S17-D19 PolarHBondContact O-N 2.86Å; D19-S23 VanDerWaalsContact CG-OG 3.26Å; D19-S23 VanDerWaalsContact OD1-CB 3.26Å; D19-S23 WeakPolarHBondContact OD1-CB 3.2Å; D19-S23 PolarHBondContact OD1-OG 2.9Å; D19-S23 PolarHBondContact OD2-OG 3.38Å; D19-N68 PolarHBondContact O-ND2 3.33Å; D19-R89 IonicContact OD2-CZ 3.72Å; D19-R89 IonicContact OD2-NE 2.76Å; D19-R89 IonicContact OD2-NH1 2.7Å; D19-R89 PolarHBondContact OD2-NH1 3.04Å; D19-R89 IonicContact OD2-NH2 3.84Å
20	S	87.4	Confident	91.5	Very high	44 Å²	44	37.1 Å²	37.1	31%	0.308	25%	0.251	S	S	.	.			trans	-104.4	141.6	175.7	-179.6	0	0	0	0	111.9	T22 S23 N68	S20-T22 PolarHBondContact O-N 2.87Å; S20-T22 PolarHBondContact OG-N 2.78Å; S20-T22 VanDerWaalsContact OG-N 3.16Å; S20-T22 PolarHBondContact OG-OG1 3.45Å; S20-S23 WeakPolarHBondContact O-CB 3.46Å; S20-S23 PolarHBondContact O-N 2.77Å; S20-S23 PolarHBondContact O-OG 3.1Å; S20-N68 WeakPolarHBondContact CA-OD1 3.3Å
21	I	89.7	Confident	91.8	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.015	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-12.9	171.4	75.2	175.5	0	0	0	113.3	V16 W26 R63 T65 N68 Q69	V16-I21 HydrophobicContact CB-CG2 3.97Å; V16-I21 HydrophobicContact CG2-CG2 3.71Å; I21-W26 VanDerWaalsContact CA-NE1 3.29Å; I21-W26 PolarHBondContact O-NE1 2.88Å; I21-W26 VanDerWaalsContact O-NE1 3.16Å; I21-R63 HydrophobicContact CD1-CB 3.74Å; I21-R63 HydrophobicContact CD1-CG 4.21Å; I21-T65 HydrophobicContact CD1-CG2 3.8Å; I21-T65 HydrophobicContact CG1-CG2 3.94Å; I21-N68 WeakPolarHBondContact CG2-O 3.11Å; I21-N68 WeakPolarHBondContact CG2-OD1 3.48Å; I21-N68 PolarHBondContact N-OD1 3.27Å; I21-Q69 VanDerWaalsContact CD1-O 3.26Å; I21-Q69 WeakPolarHBondContact CD1-O 3.4Å
22	T	88.6	Confident	91.8	Very high	65 Å²	65	36.6 Å²	36.6	40%	0.399	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	8.5	177.5	63.6	0	0	0	0	113.6	S20 Y45 T65	S20-T22 PolarHBondContact O-N 2.87Å; S20-T22 PolarHBondContact OG-N 2.78Å; S20-T22 VanDerWaalsContact OG-N 3.16Å; S20-T22 PolarHBondContact OG-OG1 3.45Å; T22-Y45 WeakPolarHBondContact O-CB 3.37Å; T22-T65 HydrophobicContact CG2-CG2 3.67Å
23	S	84.6	Confident	91.5	Very high	41 Å²	41	40.8 Å²	40.8	29%	0.287	27%	0.267	S	S	.	.	S	Bend	trans	-97.8	2.7	-176.8	73.6	0	0	0	0	115	D19 S20 R89	D19-S23 VanDerWaalsContact CG-OG 3.26Å; D19-S23 VanDerWaalsContact OD1-CB 3.26Å; D19-S23 WeakPolarHBondContact OD1-CB 3.2Å; D19-S23 PolarHBondContact OD1-OG 2.9Å; D19-S23 PolarHBondContact OD2-OG 3.38Å; S20-S23 WeakPolarHBondContact O-CB 3.46Å; S20-S23 PolarHBondContact O-N 2.77Å; S20-S23 PolarHBondContact O-OG 3.1Å; S23-R89 PolarHBondContact O-NH2 2.99Å; S23-R89 PolarHBondContact OG-NH2 3.02Å
24	G	86.6	Confident	91.3	Very high	3 Å²	3	40.7 Å²	40.7	3%	0.031	28%	0.28	C	S	.	.	S	Bend	trans	179.4	-150.9	-175.7	0	0	0	0	0	115.1	N44 Y45	G24-N44 CarbonylContact O-C 3.58Å; G24-Y45 PolarHBondContact O-N 3.36Å
25	Y	92.1	Very high	91	Very high	35 Å²	35	46.1 Å²	46.1	14%	0.137	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120	177.3	-61.9	-108.5	0	0	0	108.6	N27 Y42 N44 Y45 R89 G90 Y92	Y25-N27 PolarHBondContact O-ND2 3.13Å; Y25-Y42 HydrophobicContact CD1-CD1 4.48Å; Y25-Y42 AromaticContact CD1-CD2 3.73Å; Y25-Y42 HydrophobicContact CD1-CD2 3.73Å; Y25-Y42 HydrophobicContact CD1-CE1 4.4Å; Y25-Y42 AromaticContact CD1-CE2 3.64Å; Y25-Y42 HydrophobicContact CD1-CE2 3.64Å; Y25-Y42 HydrophobicContact CD1-CG 4.22Å; Y25-Y42 HydrophobicContact CE1-CD2 4.45Å; Y25-Y42 AromaticContact CE1-CE2 3.92Å; Y25-Y42 HydrophobicContact CE1-CE2 3.92Å; Y25-N44 HydrophobicContact CD1-CB 3.55Å; Y25-N44 HydrophobicContact CE1-CB 3.45Å; Y25-N44 VanDerWaalsContact CE1-CB 3.45Å; Y25-N44 HydrophobicContact CG-CB 4.2Å; Y25-Y45 HydrophobicContact CE2-CD1 4.47Å; Y25-Y45 HydrophobicContact CE2-CE1 4.41Å; Y25-R89 WeakPolarHBondContact O-CA 3.49Å; Y25-G90 WeakPolarHBondContact CB-O 3.45Å; Y25-G90 PolarHBondContact N-O 2.83Å; Y25-G90 PolarHBondContact O-N 2.83Å; Y25-Y92 AromaticContact CE1-CD2 3.95Å; Y25-Y92 HydrophobicContact CE1-CD2 3.95Å; Y25-Y92 HydrophobicContact CE1-CG 4.43Å; Y25-Y92 WeakPolarHBondContact OH-CB 3.3Å
26	W	93.6	Very high	91	Very high	15 Å²	15	49.7 Å²	49.7	6%	0.057	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	118.6	-179.9	-68.4	97.2	0	0	0	109.2	V16 I21 Y42 I43 F70 R89	V16-W26 HydrophobicContact CB-CH2 4.24Å; V16-W26 HydrophobicContact CB-CZ2 4.42Å; V16-W26 HydrophobicContact CG1-CH2 3.53Å; V16-W26 HydrophobicContact CG1-CZ2 3.71Å; V16-W26 HydrophobicContact CG1-CZ3 4.39Å; V16-W26 HydrophobicContact CG2-CD2 4.21Å; V16-W26 HydrophobicContact CG2-CE3 4Å; V16-W26 HydrophobicContact CG2-CH2 3.59Å; V16-W26 HydrophobicContact CG2-CZ2 3.84Å; V16-W26 HydrophobicContact CG2-CZ3 3.68Å; I21-W26 VanDerWaalsContact CA-NE1 3.29Å; I21-W26 PolarHBondContact O-NE1 2.88Å; I21-W26 VanDerWaalsContact O-NE1 3.16Å; W26-Y42 CarbonylContact O-C 3.6Å; W26-Y42 WeakPolarHBondContact O-CA 3.23Å; W26-Y42 WeakPolarHBondContact O-CB 3.46Å; W26-I43 HydrophobicContact CB-CG2 4.28Å; W26-I43 PolarHBondContact N-O 3.28Å; W26-I43 PolarHBondContact O-N 2.89Å; W26-F70 HydrophobicContact CB-CD1 4.09Å; W26-F70 HydrophobicContact CB-CD2 4.12Å; W26-F70 HydrophobicContact CB-CE1 3.83Å; W26-F70 HydrophobicContact CB-CE2 3.87Å; W26-F70 HydrophobicContact CB-CG 4.2Å; W26-F70 HydrophobicContact CB-CZ 3.68Å; W26-F70 HydrophobicContact CD2-CD1 4.5Å; W26-F70 AromaticContact CD2-CE1 3.95Å; W26-F70 HydrophobicContact CD2-CE1 3.95Å; W26-F70 HydrophobicContact CD2-CZ 4.4Å; W26-F70 AromaticContact CE3-CE1 3.64Å; W26-F70 HydrophobicContact CE3-CE1 3.64Å; W26-F70 AromaticContact CE3-CZ 3.97Å; W26-F70 HydrophobicContact CE3-CZ 3.97Å; W26-F70 HydrophobicContact CG-CD1 4.3Å; W26-F70 HydrophobicContact CG-CE1 4.05Å; W26-F70 HydrophobicContact CG-CZ 4.34Å; W26-F70 HydrophobicContact CZ3-CE1 4.49Å; W26-R89 HydrophobicContact CE3-CB 4.01Å; W26-R89 HydrophobicContact CH2-CB 3.85Å; W26-R89 HydrophobicContact CH2-CG 4.1Å; W26-R89 HydrophobicContact CZ2-CB 4.34Å; W26-R89 HydrophobicContact CZ2-CG 4.1Å; W26-R89 HydrophobicContact CZ3-CB 3.66Å; W26-R89 HydrophobicContact CZ3-CG 4.3Å
27	N	94.8	Very high	91.1	Very high	9 Å²	9	53.1 Å²	53.1	5%	0.048	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	146.8	-167.8	-64.1	-96.6	0	0	0	110.2	Y25 W39 G41 Y42 C87 A88 F97	Y25-N27 PolarHBondContact O-ND2 3.13Å; N27-W39 PolarHBondContact OD1-NE1 2.64Å; N27-G41 WeakPolarHBondContact CA-O 3.44Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.48Å; N27-C87 CarbonylContact O-C 3.52Å; N27-C87 VanDerWaalsContact O-CA 3.32Å; N27-C87 WeakPolarHBondContact O-CA 3.42Å; N27-A88 PolarHBondContact N-O 2.88Å; N27-A88 PolarHBondContact ND2-O 2.85Å; N27-A88 PolarHBondContact O-N 2.69Å; N27-F97 HydrophobicContact CB-CE1 3.93Å; N27-F97 HydrophobicContact CB-CZ 4.48Å
28	W	96.3	Very high	91.4	Very high	6 Å²	6	49.7 Å²	49.7	2%	0.023	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.2	165.2	-77.7	102.7	0	0	0	109.7	L12 C14 M40 G41 F70 L72	L12-W28 HydrophobicContact CB-CH2 3.61Å; L12-W28 HydrophobicContact CB-CZ2 4.17Å; L12-W28 HydrophobicContact CB-CZ3 4.01Å; L12-W28 HydrophobicContact CD1-CH2 4.49Å; L12-W28 HydrophobicContact CD1-CZ3 4.04Å; C14-W28 HydrophobicContact CB-CH2 3.99Å; C14-W28 HydrophobicContact CB-CZ2 3.96Å; W28-M40 HydrophobicContact CB-CB 4.2Å; W28-M40 WeakPolarHBondContact O-CB 3.37Å; W28-M40 PolarHBondContact O-N 3.39Å; W28-G41 PolarHBondContact N-O 2.59Å; W28-F70 AromaticContact CD1-CE2 3.74Å; W28-F70 HydrophobicContact CD2-CE2 4.29Å; W28-F70 AromaticContact CE2-CD2 3.93Å; W28-F70 AromaticContact CE2-CE2 3.62Å; W28-F70 HydrophobicContact CG-CE2 4.36Å; W28-F70 HydrophobicContact CZ2-CD2 4.31Å; W28-F70 HydrophobicContact CZ2-CE2 4.1Å; W28-F70 AromaticContact NE1-CD2 3.27Å; W28-F70 VanDerWaalsContact NE1-CD2 3.27Å; W28-F70 AromaticContact NE1-CE2 3.25Å; W28-L72 HydrophobicContact CB-CD1 4.49Å; W28-L72 HydrophobicContact CB-CD2 4.17Å; W28-L72 HydrophobicContact CD2-CB 3.67Å; W28-L72 HydrophobicContact CD2-CD2 4.01Å; W28-L72 HydrophobicContact CD2-CG 4.4Å; W28-L72 VanDerWaalsContact CE2-CB 3.45Å; W28-L72 HydrophobicContact CE3-CB 4.34Å; W28-L72 HydrophobicContact CE3-CD2 4.17Å; W28-L72 HydrophobicContact CG-CB 3.85Å; W28-L72 HydrophobicContact CG-CD1 4.31Å; W28-L72 HydrophobicContact CG-CD2 4.02Å; W28-L72 HydrophobicContact CG-CG 4.3Å; W28-L72 HydrophobicContact CZ2-CB 3.95Å
29	I	95.8	Very high	91.9	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129.7	-177.5	-56.6	169.5	0	0	0	107.9	L37 E38 Y86 A88 F97 W100	I29-L37 HydrophobicContact CG2-CB 4.3Å; I29-L37 HydrophobicContact CG2-CD2 4.08Å; I29-E38 CarbonylContact C-O 3.56Å; I29-E38 WeakPolarHBondContact CA-O 3.43Å; I29-Y86 PolarHBondContact N-O 3.08Å; I29-Y86 PolarHBondContact O-N 2.97Å; I29-A88 HydrophobicContact CD1-CB 3.82Å; I29-F97 HydrophobicContact CD1-CD2 3.92Å; I29-F97 HydrophobicContact CD1-CE1 4.28Å; I29-F97 HydrophobicContact CD1-CE2 3.47Å; I29-F97 VanDerWaalsContact CD1-CE2 3.47Å; I29-F97 HydrophobicContact CD1-CG 4.48Å; I29-F97 HydrophobicContact CD1-CZ 3.68Å; I29-W100 HydrophobicContact CB-CH2 4.49Å; I29-W100 HydrophobicContact CB-CZ3 4.21Å; I29-W100 HydrophobicContact CD1-CE3 4.47Å; I29-W100 HydrophobicContact CD1-CH2 3.34Å; I29-W100 HydrophobicContact CD1-CZ2 3.96Å; I29-W100 HydrophobicContact CD1-CZ3 3.64Å; I29-W100 HydrophobicContact CG1-CH2 4.49Å; I29-W100 HydrophobicContact CG2-CH2 4.18Å; I29-W100 HydrophobicContact CG2-CZ3 4.15Å
30	R	96.2	Very high	92.5	Very high	9 Å²	9	46.5 Å²	46.5	3%	0.034	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133.6	172.9	176.8	170.1	66.2	-173.9	10.8	109.9	F32 L37 E38 M40 D81 T84 Y85	R30-F32 VanDerWaalsContact NE-CZ 3.34Å; R30-L37 CarbonylContact O-C 3.59Å; R30-L37 WeakPolarHBondContact O-CA 3.14Å; R30-E38 IonicContact CZ-OE2 3.66Å; R30-E38 PolarHBondContact N-O 3.42Å; R30-E38 IonicContact NE-OE2 3.64Å; R30-E38 PolarHBondContact NE-OE2 2.83Å; R30-E38 VanDerWaalsContact NE-OE2 3.08Å; R30-E38 IonicContact NH2-OE2 3.43Å; R30-E38 PolarHBondContact NH2-OE2 2.91Å; R30-E38 PolarHBondContact O-N 2.88Å; R30-M40 HydrophobicContact CB-CG 4.22Å; R30-M40 HydrophobicContact CB-SD 3.88Å; R30-D81 IonicContact CZ-OD1 3.15Å; R30-D81 VanDerWaalsContact NH1-CA 3.29Å; R30-D81 IonicContact NH1-OD1 3.08Å; R30-D81 PolarHBondContact NH1-OD1 3.03Å; R30-D81 IonicContact NH2-OD1 2.64Å; R30-T84 CarbonylContact C-O 3.43Å; R30-Y85 HydrophobicContact CB-CD1 4.3Å; R30-Y85 HydrophobicContact CB-CE1 4.19Å; R30-Y85 WeakPolarHBondContact CD-OH 3.25Å; R30-Y85 HydrophobicContact CG-CE1 4.2Å; R30-Y85 HydrophobicContact CG-CE2 4.45Å; R30-Y85 PolarHBondContact NH1-OH 2.77Å
31	Q	96.8	Very high	92.9	Very high	41 Å²	41	44.4 Å²	44.4	19%	0.192	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119.1	168.3	-172	179.7	35.3	0	0	109.5	N35 K36 L37 G83 T84 Y86	Q31-N35 PolarHBondContact NE2-OD1 3Å; Q31-K36 CarbonylContact C-O 3.48Å; Q31-K36 WeakPolarHBondContact CA-O 3.44Å; Q31-L37 HydrophobicContact CB-CD2 3.61Å; Q31-L37 HydrophobicContact CG-CD2 3.74Å; Q31-G83 CarbonylContact O-C 3.58Å; Q31-G83 WeakPolarHBondContact O-CA 3.25Å; Q31-T84 PolarHBondContact N-O 2.87Å; Q31-T84 PolarHBondContact O-N 3.48Å; Q31-Y86 HydrophobicContact CB-CD2 4.27Å; Q31-Y86 HydrophobicContact CB-CE2 3.62Å; Q31-Y86 HydrophobicContact CG-CE2 4.49Å; Q31-Y86 PolarHBondContact OE1-OH 2.91Å
32	F	95.1	Very high	93.1	Very high	45 Å²	45	46.2 Å²	46.2	20%	0.197	25%	0.251	C	S	.	.			trans	-75.8	159	174.8	-65.4	-84.5	0	0	0	111.4	R30 G34 N35 K36 E38 E80	R30-F32 VanDerWaalsContact NE-CZ 3.34Å; F32-G34 PolarHBondContact O-N 2.88Å; F32-N35 PolarHBondContact O-N 2.95Å; F32-K36 HydrophobicContact CB-CB 4.44Å; F32-K36 HydrophobicContact CD2-CB 4.25Å; F32-K36 HydrophobicContact CD2-CD 4.37Å; F32-K36 HydrophobicContact CD2-CG 4.29Å; F32-K36 WeakPolarHBondContact CD2-O 3.29Å; F32-K36 PolarHBondContact N-O 2.78Å; F32-E38 HydrophobicContact CE2-CB 3.73Å; F32-E38 HydrophobicContact CZ-CB 4.5Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.41Å; F32-E80 WeakPolarHBondContact CE1-O 3.36Å
33	P	90.4	Very high	93.4	Very high	103 Å²	103	43.5 Å²	43.5	67%	0.669	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.2	128.7	160	-23.6	34	0	0	0	109.9	T82	P33-T82 HydrophobicContact CG-CG2 4.33Å
34	G	91.5	Very high	93.8	Very high	72 Å²	72	42.1 Å²	42.1	74%	0.742	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.2	14	-171.9	0	0	0	0	0	115.1	F32 K36	F32-G34 PolarHBondContact O-N 2.88Å; G34-K36 VanDerWaalsContact C-N 3.27Å; G34-K36 PolarHBondContact O-N 2.95Å
35	N	88.7	Confident	94	Very high	125 Å²	125	48 Å²	48	67%	0.668	25%	0.245	S	C	*	.	S	Bend	trans	67.5	10.3	168.9	-59.8	-43	0	0	0	116.8	Q31 F32 L37	Q31-N35 PolarHBondContact NE2-OD1 3Å; F32-N35 PolarHBondContact O-N 2.95Å; N35-L37 PolarHBondContact O-N 3.05Å
36	K	94.1	Very high	94	Very high	147 Å²	147	50 Å²	50	64%	0.639	26%	0.264	S	S	*	.			trans	-69.3	129.2	170.8	-177.8	-178.8	176.1	-173.9	0	109.9	Q31 F32 G34	Q31-K36 CarbonylContact C-O 3.48Å; Q31-K36 WeakPolarHBondContact CA-O 3.44Å; F32-K36 HydrophobicContact CB-CB 4.44Å; F32-K36 HydrophobicContact CD2-CB 4.25Å; F32-K36 HydrophobicContact CD2-CD 4.37Å; F32-K36 HydrophobicContact CD2-CG 4.29Å; F32-K36 WeakPolarHBondContact CD2-O 3.29Å; F32-K36 PolarHBondContact N-O 2.78Å; G34-K36 VanDerWaalsContact C-N 3.27Å; G34-K36 PolarHBondContact O-N 2.95Å
37	L	94.3	Very high	93.9	Very high	91 Å²	91	50.7 Å²	50.7	48%	0.476	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	143.2	174.7	-63.1	174.7	0	0	0	111.1	I29 R30 Q31 N35 W100	I29-L37 HydrophobicContact CG2-CB 4.3Å; I29-L37 HydrophobicContact CG2-CD2 4.08Å; R30-L37 CarbonylContact O-C 3.59Å; R30-L37 WeakPolarHBondContact O-CA 3.14Å; Q31-L37 HydrophobicContact CB-CD2 3.61Å; Q31-L37 HydrophobicContact CG-CD2 3.74Å; N35-L37 PolarHBondContact O-N 3.05Å; L37-W100 HydrophobicContact CD1-CH2 4.3Å
38	E	95.3	Very high	93.9	Very high	40 Å²	40	53.3 Å²	53.3	19%	0.187	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	120.3	172.4	175.7	179	-121.7	0	0	109.4	I29 R30 F32	I29-E38 CarbonylContact C-O 3.56Å; I29-E38 WeakPolarHBondContact CA-O 3.43Å; R30-E38 IonicContact CZ-OE2 3.66Å; R30-E38 PolarHBondContact N-O 3.42Å; R30-E38 IonicContact NE-OE2 3.64Å; R30-E38 PolarHBondContact NE-OE2 2.83Å; R30-E38 VanDerWaalsContact NE-OE2 3.08Å; R30-E38 IonicContact NH2-OE2 3.43Å; R30-E38 PolarHBondContact NH2-OE2 2.91Å; R30-E38 PolarHBondContact O-N 2.88Å; F32-E38 HydrophobicContact CE2-CB 3.73Å; F32-E38 HydrophobicContact CZ-CB 4.5Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.41Å
39	W	94.8	Very high	93.8	Very high	77 Å²	77	55.4 Å²	55.4	29%	0.292	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	128.4	168.8	176.3	79.8	0	0	0	109.1	N27 G41 Y42 N52	N27-W39 PolarHBondContact OD1-NE1 2.64Å; W39-G41 VanDerWaalsContact CZ2-C 3.46Å; W39-G41 PolarHBondContact NE1-O 2.97Å; W39-Y42 HydrophobicContact CH2-CD1 4.42Å; W39-Y42 AromaticContact CZ2-CD1 3.53Å; W39-Y42 HydrophobicContact CZ2-CD1 3.53Å; W39-Y42 HydrophobicContact CZ2-CE1 4.18Å; W39-Y42 HydrophobicContact CZ2-CG 4.29Å; W39-N52 HydrophobicContact CE3-CB 4Å; W39-N52 HydrophobicContact CZ3-CB 4.11Å; W39-N52 VanDerWaalsContact O-CB 3.29Å; W39-N52 WeakPolarHBondContact O-CB 3.29Å; W39-N52 PolarHBondContact O-ND2 3.14Å
40	M	95.8	Very high	93.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-39.5	-178.1	-58.5	-176.8	74	0	0	111.6	W28 R30 N52 L55 I59 L72 L74 Y85	W28-M40 HydrophobicContact CB-CB 4.2Å; W28-M40 WeakPolarHBondContact O-CB 3.37Å; W28-M40 PolarHBondContact O-N 3.39Å; R30-M40 HydrophobicContact CB-CG 4.22Å; R30-M40 HydrophobicContact CB-SD 3.88Å; M40-N52 WeakPolarHBondContact O-CB 3.44Å; M40-N52 PolarHBondContact O-N 2.92Å; M40-L55 HydrophobicContact CB-CD1 4.04Å; M40-L55 HydrophobicContact CE-CD1 4.01Å; M40-L55 HydrophobicContact CG-CD1 3.85Å; M40-I59 HydrophobicContact CB-CD1 4.4Å; M40-I59 HydrophobicContact CE-CG2 4.01Å; M40-I59 WeakPolarHBondContact O-CD1 3.49Å; M40-L72 HydrophobicContact CE-CD2 3.81Å; M40-L72 HydrophobicContact SD-CD2 3.76Å; M40-L74 HydrophobicContact CE-CD2 4.43Å; M40-Y85 HydrophobicContact CE-CE1 3.88Å; M40-Y85 HydrophobicContact SD-CD1 3.76Å; M40-Y85 HydrophobicContact SD-CE1 3.63Å
41	G	95.3	Very high	93.8	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168	173.9	-175.8	0	0	0	0	0	112	N27 W28 W39 S50 I61	N27-G41 WeakPolarHBondContact CA-O 3.44Å; W28-G41 PolarHBondContact N-O 2.59Å; W39-G41 VanDerWaalsContact CZ2-C 3.46Å; W39-G41 PolarHBondContact NE1-O 2.97Å; G41-S50 CarbonylContact C-O 3.52Å; G41-S50 WeakPolarHBondContact CA-O 3.31Å; G41-I61 VanDerWaalsContact C-CD1 3.47Å
42	Y	95	Very high	93.7	Very high	42 Å²	42	58.5 Å²	58.5	17%	0.165	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	161.8	170.7	71.3	-114.2	0	0	0	112.4	Y25 W26 N27 W39 N44 T49 S50	Y25-Y42 HydrophobicContact CD1-CD1 4.48Å; Y25-Y42 AromaticContact CD1-CD2 3.73Å; Y25-Y42 HydrophobicContact CD1-CD2 3.73Å; Y25-Y42 HydrophobicContact CD1-CE1 4.4Å; Y25-Y42 AromaticContact CD1-CE2 3.64Å; Y25-Y42 HydrophobicContact CD1-CE2 3.64Å; Y25-Y42 HydrophobicContact CD1-CG 4.22Å; Y25-Y42 HydrophobicContact CE1-CD2 4.45Å; Y25-Y42 AromaticContact CE1-CE2 3.92Å; Y25-Y42 HydrophobicContact CE1-CE2 3.92Å; W26-Y42 CarbonylContact O-C 3.6Å; W26-Y42 WeakPolarHBondContact O-CA 3.23Å; W26-Y42 WeakPolarHBondContact O-CB 3.46Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.48Å; W39-Y42 HydrophobicContact CH2-CD1 4.42Å; W39-Y42 AromaticContact CZ2-CD1 3.53Å; W39-Y42 HydrophobicContact CZ2-CD1 3.53Å; W39-Y42 HydrophobicContact CZ2-CE1 4.18Å; W39-Y42 HydrophobicContact CZ2-CG 4.29Å; Y42-N44 HydrophobicContact CD2-CB 4.39Å; Y42-N44 HydrophobicContact CE2-CB 4.24Å; Y42-T49 VanDerWaalsContact O-CA 3.25Å; Y42-T49 WeakPolarHBondContact O-CA 3.46Å; Y42-S50 VanDerWaalsContact CE1-CB 3.43Å; Y42-S50 PolarHBondContact N-O 2.98Å; Y42-S50 PolarHBondContact O-N 2.88Å
43	I	95.3	Very high	93.7	Very high	7 Å²	7	61.7 Å²	61.7	4%	0.036	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.5	159.3	-169.5	161.2	0	0	0	109.3	W26 S48 T49 I61 R63 F70	W26-I43 HydrophobicContact CB-CG2 4.28Å; W26-I43 PolarHBondContact N-O 3.28Å; W26-I43 PolarHBondContact O-N 2.89Å; I43-S48 WeakPolarHBondContact CA-O 3.34Å; I43-T49 HydrophobicContact CB-CG2 4Å; I43-T49 HydrophobicContact CD1-CG2 3.91Å; I43-T49 HydrophobicContact CG1-CG2 3.86Å; I43-I61 HydrophobicContact CB-CG2 3.74Å; I43-I61 HydrophobicContact CG2-CG2 3.76Å; I43-R63 HydrophobicContact CD1-CB 3.97Å; I43-R63 HydrophobicContact CD1-CG 3.76Å; I43-F70 HydrophobicContact CG2-CB 4.28Å; I43-F70 HydrophobicContact CG2-CD2 4.4Å
44	N	92.8	Very high	93.8	Very high	13 Å²	13	61.3 Å²	61.3	7%	0.07	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	176.8	-178.7	78.9	-1.9	0	0	0	112.1	G24 Y25 Y42 S46 G47 S48 R63	G24-N44 CarbonylContact O-C 3.58Å; Y25-N44 HydrophobicContact CD1-CB 3.55Å; Y25-N44 HydrophobicContact CE1-CB 3.45Å; Y25-N44 VanDerWaalsContact CE1-CB 3.45Å; Y25-N44 HydrophobicContact CG-CB 4.2Å; Y42-N44 HydrophobicContact CD2-CB 4.39Å; Y42-N44 HydrophobicContact CE2-CB 4.24Å; N44-S46 PolarHBondContact ND2-OG 2.7Å; N44-S46 PolarHBondContact O-N 3.38Å; N44-S46 WeakPolarHBondContact OD1-CA 3.38Å; N44-S46 PolarHBondContact OD1-N 2.88Å; N44-S46 PolarHBondContact OD1-OG 2.76Å; N44-G47 PolarHBondContact O-N 3.32Å; N44-G47 PolarHBondContact OD1-N 2.88Å; N44-S48 PolarHBondContact N-O 3.02Å; N44-S48 WeakPolarHBondContact OD1-CB 3.45Å; N44-S48 PolarHBondContact OD1-N 3.43Å; N44-S48 PolarHBondContact OD1-O 3.07Å; N44-R63 PolarHBondContact O-NH1 2.94Å
45	Y	89.9	Confident	93.9	Very high	126 Å²	126	58.1 Å²	58.1	49%	0.494	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.8	177.9	65.3	-88.6	0	0	0	114.8	T22 G24 Y25 R63	T22-Y45 WeakPolarHBondContact O-CB 3.37Å; G24-Y45 PolarHBondContact O-N 3.36Å; Y25-Y45 HydrophobicContact CE2-CD1 4.47Å; Y25-Y45 HydrophobicContact CE2-CE1 4.41Å; Y45-R63 VanDerWaalsContact O-CZ 3.27Å; Y45-R63 PolarHBondContact O-NH1 2.87Å; Y45-R63 PolarHBondContact O-NH2 2.87Å
46	S	91.4	Very high	94.1	Very high	77 Å²	77	58.8 Å²	58.8	54%	0.538	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-6.3	174.1	66.1	0	0	0	0	113.5	N44 R63	N44-S46 PolarHBondContact ND2-OG 2.7Å; N44-S46 PolarHBondContact O-N 3.38Å; N44-S46 WeakPolarHBondContact OD1-CA 3.38Å; N44-S46 PolarHBondContact OD1-N 2.88Å; N44-S46 PolarHBondContact OD1-OG 2.76Å; S46-R63 VanDerWaalsContact C-NH2 3.3Å
47	G	92.8	Very high	94.2	Very high	30 Å²	30	57.2 Å²	57.2	31%	0.309	32%	0.323	S	S	.	.	S	Bend	trans	89.2	4.4	-177.7	0	0	0	0	0	113.9	N44	N44-G47 PolarHBondContact O-N 3.32Å; N44-G47 PolarHBondContact OD1-N 2.88Å
48	S	94	Very high	94.2	Very high	64 Å²	64	55.4 Å²	55.4	45%	0.448	31%	0.31	S	S	.	.			trans	-70	137.5	172.4	-175.9	0	0	0	0	110.4	I43 N44	I43-S48 WeakPolarHBondContact CA-O 3.34Å; N44-S48 PolarHBondContact N-O 3.02Å; N44-S48 WeakPolarHBondContact OD1-CB 3.45Å; N44-S48 PolarHBondContact OD1-N 3.43Å; N44-S48 PolarHBondContact OD1-O 3.07Å
49	T	95.6	Very high	94.3	Very high	50 Å²	50	54 Å²	54	31%	0.307	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	146.9	-178.5	50.2	0	0	0	0	111.6	Y42 I43 Y51 I61	Y42-T49 VanDerWaalsContact O-CA 3.25Å; Y42-T49 WeakPolarHBondContact O-CA 3.46Å; I43-T49 HydrophobicContact CB-CG2 4Å; I43-T49 HydrophobicContact CD1-CG2 3.91Å; I43-T49 HydrophobicContact CG1-CG2 3.86Å; T49-Y51 PolarHBondContact OG1-OH 2.86Å; T49-I61 HydrophobicContact CG2-CB 4.35Å
50	S	94.6	Very high	94.4	Very high	43 Å²	43	52.2 Å²	52.2	30%	0.301	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	147.5	166.6	-171.3	0	0	0	0	108.9	G41 Y42	G41-S50 CarbonylContact C-O 3.52Å; G41-S50 WeakPolarHBondContact CA-O 3.31Å; Y42-S50 VanDerWaalsContact CE1-CB 3.43Å; Y42-S50 PolarHBondContact N-O 2.98Å; Y42-S50 PolarHBondContact O-N 2.88Å
51	Y	95.9	Very high	94.4	Very high	50 Å²	50	52.4 Å²	52.4	20%	0.196	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148.4	-171.7	-59	-66.9	0	0	0	110.2	T49 P53 K56 I59 I61	T49-Y51 PolarHBondContact OG1-OH 2.86Å; Y51-P53 WeakPolarHBondContact O-CD 3.49Å; Y51-K56 HydrophobicContact CD2-CG 4.15Å; Y51-K56 HydrophobicContact CG-CG 4.38Å; Y51-I59 HydrophobicContact CD1-CD1 3.47Å; Y51-I59 VanDerWaalsContact CD1-CD1 3.47Å; Y51-I59 HydrophobicContact CD1-CG1 3.57Å; Y51-I59 HydrophobicContact CE1-CD1 4.32Å; Y51-I59 HydrophobicContact CE1-CG1 4.08Å; Y51-I59 HydrophobicContact CG-CD1 4.16Å; Y51-I59 HydrophobicContact CG-CG1 4.24Å; Y51-I61 HydrophobicContact CD1-CD1 4.16Å; Y51-I61 HydrophobicContact CE1-CB 4.13Å; Y51-I61 HydrophobicContact CE1-CD1 3.97Å; Y51-I61 HydrophobicContact CE1-CG1 3.92Å; Y51-I61 PolarHBondContact OH-N 3.32Å
52	N	95.1	Very high	94.5	Very high	27 Å²	27	55.8 Å²	55.8	14%	0.144	32%	0.324	C	S	.	.			trans	-62.1	124.9	164.8	-176.5	-31.2	0	0	0	108.9	W39 M40 S54 L55 K56	W39-N52 HydrophobicContact CE3-CB 4Å; W39-N52 HydrophobicContact CZ3-CB 4.11Å; W39-N52 VanDerWaalsContact O-CB 3.29Å; W39-N52 WeakPolarHBondContact O-CB 3.29Å; W39-N52 PolarHBondContact O-ND2 3.14Å; M40-N52 WeakPolarHBondContact O-CB 3.44Å; M40-N52 PolarHBondContact O-N 2.92Å; N52-S54 PolarHBondContact O-N 2.97Å; N52-S54 VanDerWaalsContact O-N 3.11Å; N52-S54 PolarHBondContact OD1-N 2.8Å; N52-L55 HydrophobicContact CB-CB 4.42Å; N52-L55 HydrophobicContact CB-CD1 4.35Å; N52-L55 PolarHBondContact O-N 2.04Å; N52-K56 PolarHBondContact O-N 3.11Å
53	P	94.9	Very high	94.5	Very high	112 Å²	112	57.2 Å²	57.2	73%	0.727	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-37.2	-178.4	-29.1	35.7	0	0	0	113.9	Y51 L55	Y51-P53 WeakPolarHBondContact O-CD 3.49Å; P53-L55 PolarHBondContact O-N 2.87Å
54	S	92.6	Very high	94.5	Very high	95 Å²	95	58.7 Å²	58.7	66%	0.664	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-20.8	-179.8	-58.7	0	0	0	0	113.8	N52	N52-S54 PolarHBondContact O-N 2.97Å; N52-S54 VanDerWaalsContact O-N 3.11Å; N52-S54 PolarHBondContact OD1-N 2.8Å
55	L	94.1	Very high	94.5	Very high	5 Å²	5	61.9 Å²	61.9	3%	0.026	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-12.5	-176.4	-63.6	174.5	0	0	0	113	M40 N52 P53 S57 R58 I59	M40-L55 HydrophobicContact CB-CD1 4.04Å; M40-L55 HydrophobicContact CE-CD1 4.01Å; M40-L55 HydrophobicContact CG-CD1 3.85Å; N52-L55 HydrophobicContact CB-CB 4.42Å; N52-L55 HydrophobicContact CB-CD1 4.35Å; N52-L55 PolarHBondContact O-N 2.04Å; P53-L55 PolarHBondContact O-N 2.87Å; L55-S57 PolarHBondContact O-N 3.39Å; L55-R58 PolarHBondContact O-N 3.21Å; L55-I59 HydrophobicContact CB-CD1 3.82Å; L55-I59 HydrophobicContact CB-CG1 4.26Å; L55-I59 HydrophobicContact CB-CG2 4.05Å; L55-I59 WeakPolarHBondContact O-CG1 3.07Å; L55-I59 PolarHBondContact O-N 2.78Å; L55-I59 VanDerWaalsContact O-N 3.08Å
56	K	93.3	Very high	94.7	Very high	139 Å²	139	60.8 Å²	60.8	60%	0.604	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-30.4	-170.2	-173.4	175.4	-178.6	-178	0	114.8	Y51 N52	Y51-K56 HydrophobicContact CD2-CG 4.15Å; Y51-K56 HydrophobicContact CG-CG 4.38Å; N52-K56 PolarHBondContact O-N 3.11Å
57	S	94.9	Very high	94.8	Very high	113 Å²	113	63.4 Å²	63.4	79%	0.79	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-18.6	178.1	58	0	0	0	0	114	L55	L55-S57 PolarHBondContact O-N 3.39Å
58	R	95.4	Very high	94.9	Very high	54 Å²	54	63.6 Å²	63.6	20%	0.204	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-21.8	-173.4	-57.4	-165.3	-61.1	129.8	-2.6	113.5	L55 L74 N75 S76 D81	L55-R58 PolarHBondContact O-N 3.21Å; R58-L74 HydrophobicContact CB-CD1 3.96Å; R58-N75 PolarHBondContact O-N 2.66Å; R58-N75 PolarHBondContact O-ND2 2.92Å; R58-S76 PolarHBondContact NH1-O 3.49Å; R58-D81 IonicContact CZ-OD1 3.04Å; R58-D81 IonicContact CZ-OD2 3.87Å; R58-D81 IonicContact NH1-OD1 3.85Å; R58-D81 PolarHBondContact NH1-OD1 3.11Å; R58-D81 IonicContact NH1-OD2 2.87Å; R58-D81 PolarHBondContact NH1-OD2 2.82Å; R58-D81 IonicContact NH2-OD1 3.56Å; R58-D81 PolarHBondContact NH2-OD1 2.87Å; R58-D81 IonicContact NH2-OD2 3.39Å
59	I	96.3	Very high	95	Very high	10 Å²	10	62.6 Å²	62.6	5%	0.051	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	146.9	-175.3	67.4	-179.7	0	0	0	113.2	M40 Y51 L55 L72 Q73 L74	M40-I59 HydrophobicContact CB-CD1 4.4Å; M40-I59 HydrophobicContact CE-CG2 4.01Å; M40-I59 WeakPolarHBondContact O-CD1 3.49Å; Y51-I59 HydrophobicContact CD1-CD1 3.47Å; Y51-I59 VanDerWaalsContact CD1-CD1 3.47Å; Y51-I59 HydrophobicContact CD1-CG1 3.57Å; Y51-I59 HydrophobicContact CE1-CD1 4.32Å; Y51-I59 HydrophobicContact CE1-CG1 4.08Å; Y51-I59 HydrophobicContact CG-CD1 4.16Å; Y51-I59 HydrophobicContact CG-CG1 4.24Å; L55-I59 HydrophobicContact CB-CD1 3.82Å; L55-I59 HydrophobicContact CB-CG1 4.26Å; L55-I59 HydrophobicContact CB-CG2 4.05Å; L55-I59 WeakPolarHBondContact O-CG1 3.07Å; L55-I59 PolarHBondContact O-N 2.78Å; L55-I59 VanDerWaalsContact O-N 3.08Å; I59-L72 HydrophobicContact CB-CD1 4.14Å; I59-L72 HydrophobicContact CG2-CD1 4.31Å; I59-Q73 CarbonylContact C-O 3.49Å; I59-Q73 VanDerWaalsContact CA-O 3.25Å; I59-Q73 WeakPolarHBondContact CA-O 3.04Å; I59-L74 HydrophobicContact CG2-CD1 3.48Å; I59-L74 VanDerWaalsContact CG2-CD1 3.48Å
60	S	97	Very high	95	Very high	39 Å²	39	60.3 Å²	60.3	27%	0.273	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	131.3	168.1	179.6	0	0	0	0	108.9	Q73	S60-Q73 PolarHBondContact N-O 2.99Å; S60-Q73 PolarHBondContact O-N 3.07Å
61	I	97.4	Very high	95.1	Very high	5 Å²	5	60.2 Å²	60.2	3%	0.026	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.9	177.5	-61.5	168.6	0	0	0	108.2	G41 I43 T49 Y51 F71 L72	G41-I61 VanDerWaalsContact C-CD1 3.47Å; I43-I61 HydrophobicContact CB-CG2 3.74Å; I43-I61 HydrophobicContact CG2-CG2 3.76Å; T49-I61 HydrophobicContact CG2-CB 4.35Å; Y51-I61 HydrophobicContact CD1-CD1 4.16Å; Y51-I61 HydrophobicContact CE1-CB 4.13Å; Y51-I61 HydrophobicContact CE1-CD1 3.97Å; Y51-I61 HydrophobicContact CE1-CG1 3.92Å; Y51-I61 PolarHBondContact OH-N 3.32Å; I61-F71 VanDerWaalsContact CA-O 3.32Å; I61-F71 WeakPolarHBondContact CA-O 3.46Å; I61-L72 HydrophobicContact CD1-CD1 4.41Å; I61-L72 HydrophobicContact CG1-CD1 3.77Å
62	T	96.4	Very high	95.2	Very high	70 Å²	70	57.9 Å²	57.9	43%	0.429	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	170	-179.7	64.5	0	0	0	0	110.8	F70 F71	T62-F70 CarbonylContact O-C 3.56Å; T62-F70 WeakPolarHBondContact O-CA 3.35Å; T62-F70 WeakPolarHBondContact O-CB 3.4Å; T62-F71 PolarHBondContact N-O 3.49Å; T62-F71 VanDerWaalsContact N-O 3.11Å; T62-F71 PolarHBondContact O-N 2.84Å
63	R	95.3	Very high	95.2	Very high	72 Å²	72	60.5 Å²	60.5	27%	0.272	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	153.1	178.9	71.4	178.1	-174.9	173.1	3.9	112.9	I21 I43 N44 Y45 S46 Q69 F70	I21-R63 HydrophobicContact CD1-CB 3.74Å; I21-R63 HydrophobicContact CD1-CG 4.21Å; I43-R63 HydrophobicContact CD1-CB 3.97Å; I43-R63 HydrophobicContact CD1-CG 3.76Å; N44-R63 PolarHBondContact O-NH1 2.94Å; Y45-R63 VanDerWaalsContact O-CZ 3.27Å; Y45-R63 PolarHBondContact O-NH1 2.87Å; Y45-R63 PolarHBondContact O-NH2 2.87Å; S46-R63 VanDerWaalsContact C-NH2 3.3Å; R63-Q69 WeakPolarHBondContact CA-O 3.32Å; R63-F70 HydrophobicContact CB-CB 4.08Å
64	D	94.9	Very high	95.3	Very high	39 Å²	39	55.1 Å²	55.1	21%	0.209	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	101.2	170.9	-175.5	-16.6	0	0	0	108.4	S66 K67 N68 Q69 F71	D64-S66 PolarHBondContact O-N 3.48Å; D64-S66 WeakPolarHBondContact OD1-CB 3.5Å; D64-S66 PolarHBondContact OD1-N 3.08Å; D64-S66 PolarHBondContact OD1-OG 3.07Å; D64-K67 HydrophobicContact CB-CB 4.37Å; D64-K67 PolarHBondContact O-N 2.9Å; D64-K67 PolarHBondContact OD1-N 3.02Å; D64-K67 WeakPolarHBondContact OD2-CD 3.39Å; D64-K67 VanDerWaalsContact OD2-CE 3.28Å; D64-K67 WeakPolarHBondContact OD2-CE 3.37Å; D64-K67 WeakPolarHBondContact OD2-CG 3.48Å; D64-K67 IonicContact OD2-NZ 3.68Å; D64-N68 PolarHBondContact O-N 3.4Å; D64-N68 VanDerWaalsContact O-N 3.07Å; D64-Q69 PolarHBondContact N-O 3.08Å; D64-Q69 PolarHBondContact O-N 2.86Å; D64-F71 HydrophobicContact CB-CE2 3.83Å; D64-F71 HydrophobicContact CB-CZ 4.32Å
65	T	93	Very high	95.4	Very high	80 Å²	80	53.1 Å²	53.1	49%	0.491	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-24.5	-179.5	51.7	0	0	0	0	112.5	I21 T22 K67 N68	I21-T65 HydrophobicContact CD1-CG2 3.8Å; I21-T65 HydrophobicContact CG1-CG2 3.94Å; T22-T65 HydrophobicContact CG2-CG2 3.67Å; T65-K67 VanDerWaalsContact C-N 3.3Å; T65-N68 PolarHBondContact O-N 3Å
66	S	93.3	Very high	95.3	Very high	103 Å²	103	56.2 Å²	56.2	72%	0.72	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-30.9	177.7	75.5	0	0	0	0	112	D64	D64-S66 PolarHBondContact O-N 3.48Å; D64-S66 WeakPolarHBondContact OD1-CB 3.5Å; D64-S66 PolarHBondContact OD1-N 3.08Å; D64-S66 PolarHBondContact OD1-OG 3.07Å
67	K	94.6	Very high	95.4	Very high	131 Å²	131	49.7 Å²	49.7	57%	0.57	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-1.4	178.2	-62.6	-178.4	-168.9	163.3	0	113.7	D64 T65 Q69	D64-K67 HydrophobicContact CB-CB 4.37Å; D64-K67 PolarHBondContact O-N 2.9Å; D64-K67 PolarHBondContact OD1-N 3.02Å; D64-K67 WeakPolarHBondContact OD2-CD 3.39Å; D64-K67 VanDerWaalsContact OD2-CE 3.28Å; D64-K67 WeakPolarHBondContact OD2-CE 3.37Å; D64-K67 WeakPolarHBondContact OD2-CG 3.48Å; D64-K67 IonicContact OD2-NZ 3.68Å; T65-K67 VanDerWaalsContact C-N 3.3Å; K67-Q69 VanDerWaalsContact C-N 3.25Å; K67-Q69 HydrophobicContact CB-CB 4.23Å; K67-Q69 HydrophobicContact CB-CG 4.18Å; K67-Q69 WeakPolarHBondContact O-CG 3.38Å; K67-Q69 PolarHBondContact O-N 2.93Å
68	N	94.3	Very high	95.3	Very high	35 Å²	35	46.7 Å²	46.7	19%	0.187	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	44.2	-173.5	-153.7	40.1	0	0	0	112.5	V16 D19 S20 I21 D64 T65	V16-N68 PolarHBondContact N-O 2.85Å; V16-N68 PolarHBondContact O-ND2 3.09Å; D19-N68 PolarHBondContact O-ND2 3.33Å; S20-N68 WeakPolarHBondContact CA-OD1 3.3Å; I21-N68 WeakPolarHBondContact CG2-O 3.11Å; I21-N68 WeakPolarHBondContact CG2-OD1 3.48Å; I21-N68 PolarHBondContact N-OD1 3.27Å; D64-N68 PolarHBondContact O-N 3.4Å; D64-N68 VanDerWaalsContact O-N 3.07Å; T65-N68 PolarHBondContact O-N 3Å
69	Q	95.6	Very high	95.2	Very high	43 Å²	43	47.8 Å²	47.8	20%	0.201	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	150.7	-173.7	-80.7	171.5	-7.8	0	0	112	T13 C14 S15 I21 R63 D64 K67 F71	T13-Q69 HydrophobicContact CG2-CB 4.45Å; T13-Q69 HydrophobicContact CG2-CG 4.14Å; C14-Q69 WeakPolarHBondContact O-CA 3.42Å; S15-Q69 WeakPolarHBondContact OG-CG 3.39Å; S15-Q69 PolarHBondContact OG-NE2 3.01Å; I21-Q69 VanDerWaalsContact CD1-O 3.26Å; I21-Q69 WeakPolarHBondContact CD1-O 3.4Å; R63-Q69 WeakPolarHBondContact CA-O 3.32Å; D64-Q69 PolarHBondContact N-O 3.08Å; D64-Q69 PolarHBondContact O-N 2.86Å; K67-Q69 VanDerWaalsContact C-N 3.25Å; K67-Q69 HydrophobicContact CB-CB 4.23Å; K67-Q69 HydrophobicContact CB-CG 4.18Å; K67-Q69 WeakPolarHBondContact O-CG 3.38Å; K67-Q69 PolarHBondContact O-N 2.93Å; Q69-F71 HydrophobicContact CB-CE1 4.34Å; Q69-F71 HydrophobicContact CB-CE2 4.05Å; Q69-F71 HydrophobicContact CB-CZ 3.68Å
70	F	95.6	Very high	95	Very high	1 Å²	1	54.6 Å²	54.6	0%	0.004	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	153.7	166.9	72.4	-78.6	0	0	0	111	C14 V16 W26 W28 I43 T62 R63 C87	C14-F70 HydrophobicContact CB-CD1 3.93Å; C14-F70 HydrophobicContact CB-CE1 3.48Å; C14-F70 VanDerWaalsContact CB-CE1 3.48Å; C14-F70 HydrophobicContact CB-CE2 4.28Å; C14-F70 HydrophobicContact CB-CZ 3.7Å; C14-F70 PolarHBondContact N-O 3.46Å; C14-F70 PolarHBondContact O-N 2.75Å; C14-F70 VanDerWaalsContact SG-CE1 3.54Å; V16-F70 HydrophobicContact CG2-CD1 4.27Å; V16-F70 HydrophobicContact CG2-CE1 4.06Å; W26-F70 HydrophobicContact CB-CD1 4.09Å; W26-F70 HydrophobicContact CB-CD2 4.12Å; W26-F70 HydrophobicContact CB-CE1 3.83Å; W26-F70 HydrophobicContact CB-CE2 3.87Å; W26-F70 HydrophobicContact CB-CG 4.2Å; W26-F70 HydrophobicContact CB-CZ 3.68Å; W26-F70 HydrophobicContact CD2-CD1 4.5Å; W26-F70 AromaticContact CD2-CE1 3.95Å; W26-F70 HydrophobicContact CD2-CE1 3.95Å; W26-F70 HydrophobicContact CD2-CZ 4.4Å; W26-F70 AromaticContact CE3-CE1 3.64Å; W26-F70 HydrophobicContact CE3-CE1 3.64Å; W26-F70 AromaticContact CE3-CZ 3.97Å; W26-F70 HydrophobicContact CE3-CZ 3.97Å; W26-F70 HydrophobicContact CG-CD1 4.3Å; W26-F70 HydrophobicContact CG-CE1 4.05Å; W26-F70 HydrophobicContact CG-CZ 4.34Å; W26-F70 HydrophobicContact CZ3-CE1 4.49Å; W28-F70 AromaticContact CD1-CE2 3.74Å; W28-F70 HydrophobicContact CD2-CE2 4.29Å; W28-F70 AromaticContact CE2-CD2 3.93Å; W28-F70 AromaticContact CE2-CE2 3.62Å; W28-F70 HydrophobicContact CG-CE2 4.36Å; W28-F70 HydrophobicContact CZ2-CD2 4.31Å; W28-F70 HydrophobicContact CZ2-CE2 4.1Å; W28-F70 AromaticContact NE1-CD2 3.27Å; W28-F70 VanDerWaalsContact NE1-CD2 3.27Å; W28-F70 AromaticContact NE1-CE2 3.25Å; I43-F70 HydrophobicContact CG2-CB 4.28Å; I43-F70 HydrophobicContact CG2-CD2 4.4Å; T62-F70 CarbonylContact O-C 3.56Å; T62-F70 WeakPolarHBondContact O-CA 3.35Å; T62-F70 WeakPolarHBondContact O-CB 3.4Å; R63-F70 HydrophobicContact CB-CB 4.08Å; F70-C87 HydrophobicContact CE1-CB 4.06Å; F70-C87 HydrophobicContact CE2-CB 4.12Å; F70-C87 HydrophobicContact CZ-CB 3.34Å
71	F	96.8	Very high	94.8	Very high	42 Å²	42	52.8 Å²	52.8	18%	0.184	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.9	-163.9	-49.6	-89.1	0	0	0	110.6	L12 T13 I61 T62 D64 Q69	L12-F71 CarbonylContact O-C 3.52Å; L12-F71 WeakPolarHBondContact O-CA 3.35Å; T13-F71 HydrophobicContact CG2-CD1 3.82Å; T13-F71 HydrophobicContact CG2-CE1 3.47Å; T13-F71 VanDerWaalsContact CG2-CE1 3.47Å; T13-F71 HydrophobicContact CG2-CZ 4.36Å; T13-F71 VanDerWaalsContact OG1-CD1 3.3Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.15Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.2Å; I61-F71 VanDerWaalsContact CA-O 3.32Å; I61-F71 WeakPolarHBondContact CA-O 3.46Å; T62-F71 PolarHBondContact N-O 3.49Å; T62-F71 VanDerWaalsContact N-O 3.11Å; T62-F71 PolarHBondContact O-N 2.84Å; D64-F71 HydrophobicContact CB-CE2 3.83Å; D64-F71 HydrophobicContact CB-CZ 4.32Å; Q69-F71 HydrophobicContact CB-CE1 4.34Å; Q69-F71 HydrophobicContact CB-CE2 4.05Å; Q69-F71 HydrophobicContact CB-CZ 3.68Å
72	L	97.6	Very high	94.7	Very high	1 Å²	1	54 Å²	54	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.8	167.2	175.9	71.8	0	0	0	108.5	S11 L12 W28 M40 I59 I61 Y85	S11-L72 CarbonylContact C-O 3.59Å; S11-L72 WeakPolarHBondContact CA-O 3.49Å; L12-L72 HydrophobicContact CB-CB 4.34Å; L12-L72 HydrophobicContact CD1-CD2 4.3Å; L12-L72 PolarHBondContact N-O 3.43Å; L12-L72 PolarHBondContact O-N 2.86Å; W28-L72 HydrophobicContact CB-CD1 4.49Å; W28-L72 HydrophobicContact CB-CD2 4.17Å; W28-L72 HydrophobicContact CD2-CB 3.67Å; W28-L72 HydrophobicContact CD2-CD2 4.01Å; W28-L72 HydrophobicContact CD2-CG 4.4Å; W28-L72 VanDerWaalsContact CE2-CB 3.45Å; W28-L72 HydrophobicContact CE3-CB 4.34Å; W28-L72 HydrophobicContact CE3-CD2 4.17Å; W28-L72 HydrophobicContact CG-CB 3.85Å; W28-L72 HydrophobicContact CG-CD1 4.31Å; W28-L72 HydrophobicContact CG-CD2 4.02Å; W28-L72 HydrophobicContact CG-CG 4.3Å; W28-L72 HydrophobicContact CZ2-CB 3.95Å; M40-L72 HydrophobicContact CE-CD2 3.81Å; M40-L72 HydrophobicContact SD-CD2 3.76Å; I59-L72 HydrophobicContact CB-CD1 4.14Å; I59-L72 HydrophobicContact CG2-CD1 4.31Å; I61-L72 HydrophobicContact CD1-CD1 4.41Å; I61-L72 HydrophobicContact CG1-CD1 3.77Å; L72-Y85 HydrophobicContact CD2-CD1 4.15Å; L72-Y85 HydrophobicContact CD2-CE1 4.43Å
73	Q	96.9	Very high	94.6	Very high	81 Å²	81	50.9 Å²	50.9	38%	0.379	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.9	165.9	-169.4	178.1	36.1	0	0	108.6	T9 L10 I59 S60	T9-Q73 HydrophobicContact CG2-CG 3.44Å; T9-Q73 VanDerWaalsContact CG2-CG 3.44Å; L10-Q73 CarbonylContact O-C 3.56Å; L10-Q73 WeakPolarHBondContact O-CA 3.5Å; I59-Q73 CarbonylContact C-O 3.49Å; I59-Q73 VanDerWaalsContact CA-O 3.25Å; I59-Q73 WeakPolarHBondContact CA-O 3.04Å; S60-Q73 PolarHBondContact N-O 2.99Å; S60-Q73 PolarHBondContact O-N 3.07Å
74	L	95.8	Very high	94.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	114.7	173.9	174.8	66.3	0	0	0	108.4	T9 L10 M40 R58 I59 V77 D81	T9-L74 WeakPolarHBondContact CA-O 2.98Å; L10-L74 HydrophobicContact CB-CB 4.37Å; L10-L74 HydrophobicContact CD2-CD2 4.45Å; L10-L74 PolarHBondContact N-O 3.27Å; L10-L74 PolarHBondContact O-N 3.18Å; M40-L74 HydrophobicContact CE-CD2 4.43Å; R58-L74 HydrophobicContact CB-CD1 3.96Å; I59-L74 HydrophobicContact CG2-CD1 3.48Å; I59-L74 VanDerWaalsContact CG2-CD1 3.48Å; L74-V77 HydrophobicContact CD2-CG1 3.95Å; L74-V77 HydrophobicContact CG-CG1 3.97Å; L74-D81 HydrophobicContact CD2-CB 4.01Å
75	N	95	Very high	94.8	Very high	52 Å²	52	46.9 Å²	46.9	28%	0.278	26%	0.259	S	S	.	.			trans	-91.7	150	-176.8	-63.4	-47.3	0	0	0	111.5	T9 R58	T9-N75 WeakPolarHBondContact CG2-OD1 3.42Å; T9-N75 PolarHBondContact OG1-OD1 3.29Å; R58-N75 PolarHBondContact O-N 2.66Å; R58-N75 PolarHBondContact O-ND2 2.92Å
76	S	92.9	Very high	95	Very high	70 Å²	70	45.1 Å²	45.1	49%	0.49	24%	0.244	S	C	.	.	S	Bend	trans	53.1	59.1	177.6	-54.6	0	0	0	0	111.9	Q8 R58	Q8-S76 PolarHBondContact O-N 3.16Å; R58-S76 PolarHBondContact NH1-O 3.49Å
77	V	93.7	Very high	95.1	Very high	3 Å²	3	41 Å²	41	2%	0.018	22%	0.215	C	C	.	.			trans	-64.4	141.9	-179	-61.8	0	0	0	0	111.7	V4 K5 P6 S7 Q8 L10 L74 D81 V108	V4-V77 HydrophobicContact CG1-CG2 3.94Å; K5-V77 WeakPolarHBondContact O-CG2 2.93Å; P6-V77 CarbonylContact C-O 3.48Å; P6-V77 WeakPolarHBondContact CA-O 3.41Å; S7-V77 PolarHBondContact N-O 2.9Å; Q8-V77 HydrophobicContact CB-CG2 4.41Å; Q8-V77 WeakPolarHBondContact O-CG2 3.19Å; Q8-V77 PolarHBondContact O-N 2.82Å; Q8-V77 VanDerWaalsContact O-N 3.09Å; L10-V77 HydrophobicContact CB-CG1 3.82Å; L74-V77 HydrophobicContact CD2-CG1 3.95Å; L74-V77 HydrophobicContact CG-CG1 3.97Å; V77-D81 VanDerWaalsContact CA-OD2 3.31Å; V77-D81 WeakPolarHBondContact CA-OD2 3.16Å; V77-V108 HydrophobicContact CB-CG2 4.27Å; V77-V108 HydrophobicContact CG2-CG1 4.1Å; V77-V108 HydrophobicContact CG2-CG2 4.21Å
78	T	93.7	Very high	95	Very high	50 Å²	50	34.9 Å²	34.9	31%	0.307	19%	0.188	S	C	.	.			trans	-119.4	167.1	176.2	69.8	0	0	0	0	110.4	E80 D81 V108	T78-E80 PolarHBondContact O-N 2.86Å; T78-E80 VanDerWaalsContact O-N 3.13Å; T78-E80 PolarHBondContact OG1-N 2.91Å; T78-D81 PolarHBondContact N-OD2 2.92Å; T78-D81 WeakPolarHBondContact O-CB 3.4Å; T78-D81 PolarHBondContact O-N 2.91Å; T78-V108 WeakPolarHBondContact O-CB 3.33Å; T78-V108 WeakPolarHBondContact O-CG1 3.37Å
79	P	92.9	Very high	94.9	Very high	77 Å²	77	34.3 Å²	34.3	50%	0.5	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-53.4	-29.9	172.8	-29.5	38	0	0	0	114.1	D81 T82	P79-D81 PolarHBondContact O-N 2.97Å; P79-T82 WeakPolarHBondContact O-CB 3.32Å; P79-T82 PolarHBondContact O-N 3.06Å; P79-T82 VanDerWaalsContact O-N 3.1Å; P79-T82 PolarHBondContact O-OG1 3.37Å
80	E	91.6	Very high	94.5	Very high	153 Å²	153	32.4 Å²	32.4	72%	0.715	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-65.7	-20.1	175.4	-58.9	176.3	177.9	0	0	112.7	F32 T78 T82	F32-E80 WeakPolarHBondContact CE1-O 3.36Å; T78-E80 PolarHBondContact O-N 2.86Å; T78-E80 VanDerWaalsContact O-N 3.13Å; T78-E80 PolarHBondContact OG1-N 2.91Å; E80-T82 PolarHBondContact O-N 2.91Å
81	D	93.5	Very high	93.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-81	3.8	175.2	-59	-50.6	0	0	0	113.2	R30 R58 L74 V77 T78 P79 G83 Y85	R30-D81 IonicContact CZ-OD1 3.15Å; R30-D81 VanDerWaalsContact NH1-CA 3.29Å; R30-D81 IonicContact NH1-OD1 3.08Å; R30-D81 PolarHBondContact NH1-OD1 3.03Å; R30-D81 IonicContact NH2-OD1 2.64Å; R58-D81 IonicContact CZ-OD1 3.04Å; R58-D81 IonicContact CZ-OD2 3.87Å; R58-D81 IonicContact NH1-OD1 3.85Å; R58-D81 PolarHBondContact NH1-OD1 3.11Å; R58-D81 IonicContact NH1-OD2 2.87Å; R58-D81 PolarHBondContact NH1-OD2 2.82Å; R58-D81 IonicContact NH2-OD1 3.56Å; R58-D81 PolarHBondContact NH2-OD1 2.87Å; R58-D81 IonicContact NH2-OD2 3.39Å; L74-D81 HydrophobicContact CD2-CB 4.01Å; V77-D81 VanDerWaalsContact CA-OD2 3.31Å; V77-D81 WeakPolarHBondContact CA-OD2 3.16Å; T78-D81 PolarHBondContact N-OD2 2.92Å; T78-D81 WeakPolarHBondContact O-CB 3.4Å; T78-D81 PolarHBondContact O-N 2.91Å; P79-D81 PolarHBondContact O-N 2.97Å; D81-G83 PolarHBondContact O-N 3.31Å; D81-Y85 WeakPolarHBondContact O-CE2 3.15Å; D81-Y85 PolarHBondContact O-OH 2.77Å
82	T	94.7	Very high	92.4	Very high	29 Å²	29	44.6 Å²	44.6	18%	0.178	22%	0.222	C	C	.	.			trans	-64	129.6	171.9	-66.6	0	0	0	0	111.1	P33 P79 E80 T107 V108	P33-T82 HydrophobicContact CG-CG2 4.33Å; P79-T82 WeakPolarHBondContact O-CB 3.32Å; P79-T82 PolarHBondContact O-N 3.06Å; P79-T82 VanDerWaalsContact O-N 3.1Å; P79-T82 PolarHBondContact O-OG1 3.37Å; E80-T82 PolarHBondContact O-N 2.91Å; T82-T107 HydrophobicContact CG2-CG2 4.47Å; T82-V108 PolarHBondContact OG1-N 2.97Å
83	G	95.6	Very high	91.1	Very high	5 Å²	5	48.5 Å²	48.5	5%	0.052	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.4	-179.3	180	0	0	0	0	0	113.4	Q31 D81 L106	Q31-G83 CarbonylContact O-C 3.58Å; Q31-G83 WeakPolarHBondContact O-CA 3.25Å; D81-G83 PolarHBondContact O-N 3.31Å; G83-L106 PolarHBondContact N-O 3.29Å; G83-L106 PolarHBondContact O-N 3.34Å
84	T	97	Very high	89.9	Confident	23 Å²	23	47 Å²	47	14%	0.141	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.1	170.9	-55.7	0	0	0	0	109.8	R30 Q31 Y86 T104 T105	R30-T84 CarbonylContact C-O 3.43Å; Q31-T84 PolarHBondContact N-O 2.87Å; Q31-T84 PolarHBondContact O-N 3.48Å; T84-Y86 HydrophobicContact CG2-CD2 4.26Å; T84-Y86 HydrophobicContact CG2-CE1 3.83Å; T84-Y86 HydrophobicContact CG2-CE2 3.55Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.46Å; T84-T104 WeakPolarHBondContact CA-O 3.48Å; T84-T105 PolarHBondContact OG1-OG1 3.16Å
85	Y	97.1	Very high	88.8	Confident	4 Å²	4	53 Å²	53	2%	0.016	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.2	-177.8	-69.3	-102.4	0	0	0	109.6	L12 R30 M40 L72 D81 G103 T104 L106	L12-Y85 VanDerWaalsContact CD1-CB 3.43Å; L12-Y85 HydrophobicContact CD1-CD1 3.68Å; L12-Y85 HydrophobicContact CD1-CD2 4.21Å; L12-Y85 HydrophobicContact CD1-CE1 4.48Å; L12-Y85 HydrophobicContact CD1-CG 3.51Å; R30-Y85 HydrophobicContact CB-CD1 4.3Å; R30-Y85 HydrophobicContact CB-CE1 4.19Å; R30-Y85 WeakPolarHBondContact CD-OH 3.25Å; R30-Y85 HydrophobicContact CG-CE1 4.2Å; R30-Y85 HydrophobicContact CG-CE2 4.45Å; R30-Y85 PolarHBondContact NH1-OH 2.77Å; M40-Y85 HydrophobicContact CE-CE1 3.88Å; M40-Y85 HydrophobicContact SD-CD1 3.76Å; M40-Y85 HydrophobicContact SD-CE1 3.63Å; L72-Y85 HydrophobicContact CD2-CD1 4.15Å; L72-Y85 HydrophobicContact CD2-CE1 4.43Å; D81-Y85 WeakPolarHBondContact O-CE2 3.15Å; D81-Y85 PolarHBondContact O-OH 2.77Å; Y85-G103 CarbonylContact O-C 3.58Å; Y85-G103 VanDerWaalsContact O-CA 3.23Å; Y85-G103 WeakPolarHBondContact O-CA 3.06Å; Y85-T104 PolarHBondContact N-O 3.26Å; Y85-T104 PolarHBondContact O-N 3.36Å; Y85-L106 HydrophobicContact CD2-CB 4.37Å; Y85-L106 HydrophobicContact CD2-CD1 3.75Å; Y85-L106 HydrophobicContact CD2-CG 4.09Å; Y85-L106 HydrophobicContact CE2-CB 4.15Å; Y85-L106 HydrophobicContact CE2-CD1 3.77Å; Y85-L106 HydrophobicContact CE2-CG 4.27Å
86	Y	96.6	Very high	87.9	Confident	44 Å²	44	58.6 Å²	58.6	17%	0.173	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	141.3	-179.3	-58.7	-86.6	0	0	0	110.2	I29 Q31 T84 W100 G101	I29-Y86 PolarHBondContact N-O 3.08Å; I29-Y86 PolarHBondContact O-N 2.97Å; Q31-Y86 HydrophobicContact CB-CD2 4.27Å; Q31-Y86 HydrophobicContact CB-CE2 3.62Å; Q31-Y86 HydrophobicContact CG-CE2 4.49Å; Q31-Y86 PolarHBondContact OE1-OH 2.91Å; T84-Y86 HydrophobicContact CG2-CD2 4.26Å; T84-Y86 HydrophobicContact CG2-CE1 3.83Å; T84-Y86 HydrophobicContact CG2-CE2 3.55Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.46Å; Y86-W100 HydrophobicContact CD1-CE3 4.34Å; Y86-W100 HydrophobicContact CD2-CZ3 4.37Å; Y86-W100 HydrophobicContact CG-CE3 4.03Å; Y86-W100 HydrophobicContact CG-CZ3 4.15Å; Y86-G101 WeakPolarHBondContact CD1-O 3.43Å
87	C	95	Very high	87.5	Confident	17 Å²	17	57.3 Å²	57.3	12%	0.115	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	142.4	156.6	40.5	0	0	0	0	110	C14 N27 F70 G101	C14-C87 HydrophobicContact CB-CB 3.46Å; C14-C87 VanDerWaalsContact CB-CB 3.46Å; C14-C87 WeakPolarHBondContact CB-SG 3.46Å; C14-C87 WeakPolarHBondContact SG-CB 3.36Å; C14-C87 CovalentContact SG-SG 2.04Å; C14-C87 PolarHBondContact SG-SG 3.03Å; N27-C87 CarbonylContact O-C 3.52Å; N27-C87 VanDerWaalsContact O-CA 3.32Å; N27-C87 WeakPolarHBondContact O-CA 3.42Å; F70-C87 HydrophobicContact CE1-CB 4.06Å; F70-C87 HydrophobicContact CE2-CB 4.12Å; F70-C87 HydrophobicContact CZ-CB 3.34Å; C87-G101 PolarHBondContact O-N 3.47Å
88	A	93.9	Very high	87.1	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.008	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	147	175.4	0	0	0	0	0	112.2	N27 I29 F97 Y99 W100	N27-A88 PolarHBondContact N-O 2.88Å; N27-A88 PolarHBondContact ND2-O 2.85Å; N27-A88 PolarHBondContact O-N 2.69Å; I29-A88 HydrophobicContact CD1-CB 3.82Å; A88-F97 HydrophobicContact CB-CB 4.1Å; A88-F97 HydrophobicContact CB-CD1 3.88Å; A88-F97 HydrophobicContact CB-CE1 4.49Å; A88-F97 HydrophobicContact CB-CG 3.93Å; A88-Y99 CarbonylContact C-O 3.6Å; A88-Y99 WeakPolarHBondContact CA-O 3.33Å; A88-Y99 WeakPolarHBondContact CB-O 3.43Å; A88-W100 HydrophobicContact CB-CD2 4.04Å; A88-W100 HydrophobicContact CB-CE3 4.25Å; A88-W100 HydrophobicContact CB-CG 4.38Å
89	R	92.1	Very high	86.7	Confident	24 Å²	24	63.9 Å²	63.9	9%	0.091	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	137.8	170.7	-170.1	-175.8	175.4	-163.5	8.9	109.5	D19 S23 Y25 W26 Y91 F97 D98 Y99	D19-R89 IonicContact OD2-CZ 3.72Å; D19-R89 IonicContact OD2-NE 2.76Å; D19-R89 IonicContact OD2-NH1 2.7Å; D19-R89 PolarHBondContact OD2-NH1 3.04Å; D19-R89 IonicContact OD2-NH2 3.84Å; S23-R89 PolarHBondContact O-NH2 2.99Å; S23-R89 PolarHBondContact OG-NH2 3.02Å; Y25-R89 WeakPolarHBondContact O-CA 3.49Å; W26-R89 HydrophobicContact CE3-CB 4.01Å; W26-R89 HydrophobicContact CH2-CB 3.85Å; W26-R89 HydrophobicContact CH2-CG 4.1Å; W26-R89 HydrophobicContact CZ2-CB 4.34Å; W26-R89 HydrophobicContact CZ2-CG 4.1Å; W26-R89 HydrophobicContact CZ3-CB 3.66Å; W26-R89 HydrophobicContact CZ3-CG 4.3Å; R89-Y91 PolarHBondContact NH2-OH 2.92Å; R89-F97 CarbonylContact O-C 3.53Å; R89-F97 WeakPolarHBondContact O-CA 3.43Å; R89-F97 VanDerWaalsContact O-CB 3.29Å; R89-F97 WeakPolarHBondContact O-CB 3.38Å; R89-F97 VanDerWaalsContact O-CD1 3.3Å; R89-F97 WeakPolarHBondContact O-CD1 3.34Å; R89-D98 WeakPolarHBondContact CB-OD1 3.38Å; R89-D98 WeakPolarHBondContact CD-OD2 3.41Å; R89-D98 WeakPolarHBondContact CG-OD1 3.26Å; R89-D98 IonicContact CZ-OD2 2.66Å; R89-D98 IonicContact NE-OD2 3.57Å; R89-D98 IonicContact NH1-OD2 3.59Å; R89-D98 PolarHBondContact NH1-OD2 3.18Å; R89-D98 PolarHBondContact O-N 2.94Å; R89-Y99 HydrophobicContact CB-CD2 4.21Å; R89-Y99 PolarHBondContact N-O 2.92Å
90	G	87.6	Confident	86.7	Confident	2 Å²	2	65.5 Å²	65.5	2%	0.021	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	-176	170.3	0	0	0	0	0	112.2	Y25	Y25-G90 WeakPolarHBondContact CB-O 3.45Å; Y25-G90 PolarHBondContact N-O 2.83Å; Y25-G90 PolarHBondContact O-N 2.83Å
91	Y	78.1	Confident	86.8	Confident	123 Å²	123	59.4 Å²	59.4	48%	0.482	31%	0.305	S	S	.	.			trans	-119.9	153.6	177.5	-62.7	-79.2	0	0	0	110.9	R89 G93 S94	R89-Y91 PolarHBondContact NH2-OH 2.92Å; Y91-G93 PolarHBondContact O-N 2.74Å; Y91-S94 WeakPolarHBondContact O-CB 3.26Å; Y91-S94 PolarHBondContact O-N 2.99Å
92	Y	69.8	Low	86.7	Confident	176 Å²	176	68.2 Å²	68.2	69%	0.69	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	127.1	176.8	-169.9	-106.8	0	0	0	111.3	Y25 S94	Y25-Y92 AromaticContact CE1-CD2 3.95Å; Y25-Y92 HydrophobicContact CE1-CD2 3.95Å; Y25-Y92 HydrophobicContact CE1-CG 4.43Å; Y25-Y92 WeakPolarHBondContact OH-CB 3.3Å; Y92-S94 PolarHBondContact O-N 3.21Å
93	G	68.8	Low	86.6	Confident	83 Å²	83	68.2 Å²	68.2	86%	0.856	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	1.1	-179	0	0	0	0	0	115.1	Y91	Y91-G93 PolarHBondContact O-N 2.74Å
94	S	73.1	Confident	86.6	Confident	51 Å²	51	71 Å²	71	36%	0.357	37%	0.368	S	S	.	.			trans	-87.7	134.1	173.5	-179.2	0	0	0	0	110.9	Y91 Y92 Y96	Y91-S94 WeakPolarHBondContact O-CB 3.26Å; Y91-S94 PolarHBondContact O-N 2.99Å; Y92-S94 PolarHBondContact O-N 3.21Å; S94-Y96 VanDerWaalsContact C-N 3.29Å; S94-Y96 PolarHBondContact OG-N 2.92Å; S94-Y96 PolarHBondContact OG-O 2.81Å
95	S	71.4	Confident	86.5	Confident	124 Å²	124	72.9 Å²	72.9	87%	0.867	38%	0.379	S	S	*	.	S	Bend	trans	-84.4	-6.6	165.7	53.1	0	0	0	0	112.8
96	Y	77.5	Confident	86.2	Confident	170 Å²	170	72.9 Å²	72.9	67%	0.667	38%	0.38	S	S	*	.			trans	-99.7	135.1	-178.7	-167.4	-97.2	0	0	0	111.3	S94 D98	S94-Y96 VanDerWaalsContact C-N 3.29Å; S94-Y96 PolarHBondContact OG-N 2.92Å; S94-Y96 PolarHBondContact OG-O 2.81Å; Y96-D98 HydrophobicContact CE1-CB 4.49Å
97	F	83.9	Confident	86	Confident	44 Å²	44	73.3 Å²	73.3	19%	0.193	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.6	172	-61.9	-69.2	0	0	0	109.1	N27 I29 A88 R89 W100	N27-F97 HydrophobicContact CB-CE1 3.93Å; N27-F97 HydrophobicContact CB-CZ 4.48Å; I29-F97 HydrophobicContact CD1-CD2 3.92Å; I29-F97 HydrophobicContact CD1-CE1 4.28Å; I29-F97 HydrophobicContact CD1-CE2 3.47Å; I29-F97 VanDerWaalsContact CD1-CE2 3.47Å; I29-F97 HydrophobicContact CD1-CG 4.48Å; I29-F97 HydrophobicContact CD1-CZ 3.68Å; A88-F97 HydrophobicContact CB-CB 4.1Å; A88-F97 HydrophobicContact CB-CD1 3.88Å; A88-F97 HydrophobicContact CB-CE1 4.49Å; A88-F97 HydrophobicContact CB-CG 3.93Å; R89-F97 CarbonylContact O-C 3.53Å; R89-F97 WeakPolarHBondContact O-CA 3.43Å; R89-F97 VanDerWaalsContact O-CB 3.29Å; R89-F97 WeakPolarHBondContact O-CB 3.38Å; R89-F97 VanDerWaalsContact O-CD1 3.3Å; R89-F97 WeakPolarHBondContact O-CD1 3.34Å; F97-W100 HydrophobicContact CB-CZ2 4.21Å; F97-W100 HydrophobicContact CD2-CH2 4.27Å; F97-W100 AromaticContact CD2-CZ2 3.51Å; F97-W100 HydrophobicContact CD2-CZ2 3.51Å; F97-W100 HydrophobicContact CE2-CZ2 4.26Å; F97-W100 HydrophobicContact CG-CZ2 4.17Å
98	D	84.4	Confident	85.7	Confident	51 Å²	51	73 Å²	73	27%	0.273	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-27.1	-177	53.4	-34.9	0	0	0	112.6	R89 Y96	R89-D98 WeakPolarHBondContact CB-OD1 3.38Å; R89-D98 WeakPolarHBondContact CD-OD2 3.41Å; R89-D98 WeakPolarHBondContact CG-OD1 3.26Å; R89-D98 IonicContact CZ-OD2 2.66Å; R89-D98 IonicContact NE-OD2 3.57Å; R89-D98 IonicContact NH1-OD2 3.59Å; R89-D98 PolarHBondContact NH1-OD2 3.18Å; R89-D98 PolarHBondContact O-N 2.94Å; Y96-D98 HydrophobicContact CE1-CB 4.49Å
99	Y	86.6	Confident	85.3	Confident	139 Å²	139	75.3 Å²	75.3	55%	0.545	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	141.3	176.6	-64.2	-82.3	0	0	0	112.1	A88 R89	A88-Y99 CarbonylContact C-O 3.6Å; A88-Y99 WeakPolarHBondContact CA-O 3.33Å; A88-Y99 WeakPolarHBondContact CB-O 3.43Å; R89-Y99 HydrophobicContact CB-CD2 4.21Å; R89-Y99 PolarHBondContact N-O 2.92Å
100	W	92.6	Very high	84.3	Confident	111 Å²	111	81.9 Å²	81.9	42%	0.42	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.3	172.8	-70.5	75.2	0	0	0	110.1	I29 L37 Y86 A88 F97	I29-W100 HydrophobicContact CB-CH2 4.49Å; I29-W100 HydrophobicContact CB-CZ3 4.21Å; I29-W100 HydrophobicContact CD1-CE3 4.47Å; I29-W100 HydrophobicContact CD1-CH2 3.34Å; I29-W100 HydrophobicContact CD1-CZ2 3.96Å; I29-W100 HydrophobicContact CD1-CZ3 3.64Å; I29-W100 HydrophobicContact CG1-CH2 4.49Å; I29-W100 HydrophobicContact CG2-CH2 4.18Å; I29-W100 HydrophobicContact CG2-CZ3 4.15Å; L37-W100 HydrophobicContact CD1-CH2 4.3Å; Y86-W100 HydrophobicContact CD1-CE3 4.34Å; Y86-W100 HydrophobicContact CD2-CZ3 4.37Å; Y86-W100 HydrophobicContact CG-CE3 4.03Å; Y86-W100 HydrophobicContact CG-CZ3 4.15Å; A88-W100 HydrophobicContact CB-CD2 4.04Å; A88-W100 HydrophobicContact CB-CE3 4.25Å; A88-W100 HydrophobicContact CB-CG 4.38Å; F97-W100 HydrophobicContact CB-CZ2 4.21Å; F97-W100 HydrophobicContact CD2-CH2 4.27Å; F97-W100 AromaticContact CD2-CZ2 3.51Å; F97-W100 HydrophobicContact CD2-CZ2 3.51Å; F97-W100 HydrophobicContact CE2-CZ2 4.26Å; F97-W100 HydrophobicContact CG-CZ2 4.17Å
101	G	92.6	Very high	84.1	Confident	25 Å²	25	85.9 Å²	85.9	26%	0.258	47%	0.472	S	S	.	.			trans	-69.4	164.4	166.6	0	0	0	0	0	111.4	Y86 C87 G103	Y86-G101 WeakPolarHBondContact CD1-O 3.43Å; C87-G101 PolarHBondContact O-N 3.47Å; G101-G103 PolarHBondContact O-N 3.07Å; G101-G103 VanDerWaalsContact O-N 3.14Å
102	Q	92.6	Very high	84.5	Confident	187 Å²	187	83.9 Å²	83.9	87%	0.874	47%	0.471	S	S	*	.			trans	-63.8	-18.3	178.7	-65.4	-62.9	-50.1	0	0	113.6
103	G	93.4	Very high	85.3	Confident	28 Å²	28	78.8 Å²	78.8	29%	0.289	46%	0.459	S	S	.	.			trans	83.4	150.9	-179	0	0	0	0	0	113.2	Y85 G101	Y85-G103 CarbonylContact O-C 3.58Å; Y85-G103 VanDerWaalsContact O-CA 3.23Å; Y85-G103 WeakPolarHBondContact O-CA 3.06Å; G101-G103 PolarHBondContact O-N 3.07Å; G101-G103 VanDerWaalsContact O-N 3.14Å
104	T	94.5	Very high	86.2	Confident	65 Å²	65	78.6 Å²	78.6	40%	0.399	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	115.8	175.7	-61.3	0	0	0	0	109.1	L12 T84 Y85 L106	L12-T104 HydrophobicContact CD2-CG2 4.17Å; T84-T104 WeakPolarHBondContact CA-O 3.48Å; Y85-T104 PolarHBondContact N-O 3.26Å; Y85-T104 PolarHBondContact O-N 3.36Å; T104-L106 HydrophobicContact CG2-CD2 4.01Å; T104-L106 HydrophobicContact CG2-CG 4.38Å
105	T	94.4	Very high	87.1	Confident	61 Å²	61	80.3 Å²	80.3	37%	0.374	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	126.8	177.3	-52.5	0	0	0	0	111.2	P1 S2 T84	P1-T105 CarbonylContact C-O 3.52Å; P1-T105 WeakPolarHBondContact CA-O 3.45Å; P1-T105 HydrophobicContact CB-CG2 4.37Å; S2-T105 PolarHBondContact N-O 2.74Å; T84-T105 PolarHBondContact OG1-OG1 3.16Å
106	L	91.9	Very high	88.1	Confident	5 Å²	5	77.4 Å²	77.4	3%	0.026	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.9	177.9	-58.5	178.2	0	0	0	110.5	S2 L10 L12 G83 Y85 T104	S2-L106 WeakPolarHBondContact O-CA 3.28Å; L10-L106 HydrophobicContact CD1-CD1 3.39Å; L10-L106 HydrophobicContact CD1-CD2 4.42Å; L10-L106 HydrophobicContact CD2-CD1 3.14Å; L10-L106 HydrophobicContact CG-CD1 3.84Å; L12-L106 HydrophobicContact CD1-CD1 4.27Å; L12-L106 HydrophobicContact CD2-CD1 4.15Å; L12-L106 HydrophobicContact CG-CD1 4.49Å; G83-L106 PolarHBondContact N-O 3.29Å; G83-L106 PolarHBondContact O-N 3.34Å; Y85-L106 HydrophobicContact CD2-CB 4.37Å; Y85-L106 HydrophobicContact CD2-CD1 3.75Å; Y85-L106 HydrophobicContact CD2-CG 4.09Å; Y85-L106 HydrophobicContact CE2-CB 4.15Å; Y85-L106 HydrophobicContact CE2-CD1 3.77Å; Y85-L106 HydrophobicContact CE2-CG 4.27Å; T104-L106 HydrophobicContact CG2-CD2 4.01Å; T104-L106 HydrophobicContact CG2-CG 4.38Å
107	T	91.8	Very high	88.9	Confident	52 Å²	52	70.8 Å²	70.8	32%	0.319	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.3	175.4	-55.7	0	0	0	0	108.5	S2 L3 V4 T82	S2-T107 PolarHBondContact O-N 3.41Å; L3-T107 WeakPolarHBondContact CA-O 3.19Å; L3-T107 HydrophobicContact CD1-CG2 4.19Å; V4-T107 PolarHBondContact N-O 2.58Å; T82-T107 HydrophobicContact CG2-CG2 4.47Å
108	V	88.8	Confident	89.3	Confident	11 Å²	11	72.8 Å²	72.8	7%	0.067	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	113.5	175.4	-175.5	0	0	0	0	108	V4 P6 V77 T78 T82	V4-V108 HydrophobicContact CB-CG2 4.42Å; V4-V108 WeakPolarHBondContact O-CA 3.38Å; P6-V108 HydrophobicContact CG-CG1 4.27Å; V77-V108 HydrophobicContact CB-CG2 4.27Å; V77-V108 HydrophobicContact CG2-CG1 4.1Å; V77-V108 HydrophobicContact CG2-CG2 4.21Å; T78-V108 WeakPolarHBondContact O-CB 3.33Å; T78-V108 WeakPolarHBondContact O-CG1 3.37Å; T82-V108 PolarHBondContact OG1-N 2.97Å
109	S	85.4	Confident	89.7	Confident	50 Å²	50	74.7 Å²	74.7	35%	0.35	42%	0.421	S	S	.	.			trans	-137.5	146.9	179.2	68.2	0	0	0	0	111	L3 V4 P6	L3-S109 WeakPolarHBondContact CD1-OG 3.37Å; V4-S109 PolarHBondContact O-N 2.9Å; P6-S109 WeakPolarHBondContact CD-O 3.4Å
110	S	71.3	Confident	89.9	Confident	162 Å²	162	68.8 Å²	68.8	100%	1.133	41%	0.41	S	S	*	.			trans	-71.8	0	172.3	57	0	0	0	0	112.4

Retrieved 110 of 110 residues in 63.1 ms (Link to these results)

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