X5J4S5_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4S5, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 aa.

						>X5J4S5_MOUSE|X5J4S5
PSLVKPSQTLSLTCSVSGDSITSGYWNWIRQFPGNKLEWMGYINYSGSTSYNPSLKSRISITRDTSKNQFFLQLNSVIPEDTGTYYCARDYYGSSYFDYWGQGTTLTVSS
					

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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	64	Low	87.9	Confident	141 Å²	141	81.3 Å²	81.3	92%	0.916	48%	0.479	S	S	*	.				0	121.8	0	-5.2	25.2	0	0	0	110.2	T105	P1-T105 CarbonylContact C-O 3.58Å; P1-T105 WeakPolarHBondContact CA-O 3.4Å; P1-T105 HydrophobicContact CB-CG2 4.42Å
2	S	81.8	Confident	88.7	Confident	66 Å²	66	75.6 Å²	75.6	46%	0.462	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	134.4	175.6	-49	0	0	0	0	110	T105 L106 T107	S2-T105 PolarHBondContact N-O 3.5Å; S2-L106 WeakPolarHBondContact O-CA 3.29Å; S2-T107 PolarHBondContact O-N 3.43Å
3	L	86.1	Confident	89.3	Confident	123 Å²	123	75.4 Å²	75.4	64%	0.644	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.2	178.6	-173.1	68.1	0	0	0	110	T107 S109	L3-T107 WeakPolarHBondContact CA-O 3.32Å; L3-T107 HydrophobicContact CD1-CG2 4.13Å; L3-T107 WeakPolarHBondContact CD1-O 3.19Å; L3-S109 WeakPolarHBondContact CD1-OG 3.37Å
4	V	88.5	Confident	89.8	Confident	19 Å²	19	70.7 Å²	70.7	12%	0.115	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.4	-178.9	-171.6	0	0	0	0	109	Q8 V77 T107 V108 S109	V4-Q8 HydrophobicContact CG1-CB 3.98Å; V4-V77 HydrophobicContact CG1-CG2 3.91Å; V4-T107 PolarHBondContact N-O 2.87Å; V4-V108 VanDerWaalsContact O-CA 3.31Å; V4-V108 WeakPolarHBondContact O-CA 3.13Å; V4-S109 PolarHBondContact O-N 2.92Å
5	K	89.7	Confident	90.1	Very high	130 Å²	130	70.7 Å²	70.7	57%	0.565	42%	0.423	S	S	*	.			trans	-83.8	151.3	176.4	-66.5	-174.8	177.3	-174.7	0	110.7	Q8 V77	K5-Q8 HydrophobicContact CB-CG 4.22Å; K5-Q8 WeakPolarHBondContact O-CB 3.49Å; K5-Q8 WeakPolarHBondContact O-CG 3.35Å; K5-Q8 PolarHBondContact O-N 3.37Å; K5-V77 WeakPolarHBondContact O-CG2 3.43Å
6	P	92.4	Very high	90.3	Very high	49 Å²	49	67.1 Å²	67.1	32%	0.318	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	153.7	173.4	-25.6	34.3	0	0	0	113	Q8 V77 V108	P6-Q8 PolarHBondContact O-N 3.18Å; P6-Q8 VanDerWaalsContact O-N 3.1Å; P6-V77 CarbonylContact C-O 3.52Å; P6-V77 WeakPolarHBondContact CA-O 3.14Å; P6-V108 HydrophobicContact CG-CG1 4.21Å
7	S	91.4	Very high	90.3	Very high	101 Å²	101	68.8 Å²	68.8	71%	0.706	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	0.5	-179.5	-52.8	0	0	0	0	115.7	V77	S7-V77 PolarHBondContact N-O 2.9Å
8	Q	92.1	Very high	90.1	Very high	95 Å²	95	70.3 Å²	70.3	44%	0.444	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-76.4	162.5	171.9	-64.9	-171.5	-46.8	0	0	111.4	V4 K5 P6 S76 V77	V4-Q8 HydrophobicContact CG1-CB 3.98Å; K5-Q8 HydrophobicContact CB-CG 4.22Å; K5-Q8 WeakPolarHBondContact O-CB 3.49Å; K5-Q8 WeakPolarHBondContact O-CG 3.35Å; K5-Q8 PolarHBondContact O-N 3.37Å; P6-Q8 PolarHBondContact O-N 3.18Å; P6-Q8 VanDerWaalsContact O-N 3.1Å; Q8-S76 PolarHBondContact O-N 2.85Å; Q8-V77 HydrophobicContact CB-CG2 4.38Å; Q8-V77 WeakPolarHBondContact O-CG2 2.94Å; Q8-V77 PolarHBondContact O-N 2.92Å
9	T	93.7	Very high	89.8	Confident	74 Å²	74	69.2 Å²	69.2	45%	0.454	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-93.5	126	167.6	-66.7	0	0	0	0	109.2	Q73 L74 N75	T9-Q73 HydrophobicContact CG2-CG 3.49Å; T9-Q73 VanDerWaalsContact CG2-CG 3.49Å; T9-L74 WeakPolarHBondContact CA-O 3.18Å; T9-N75 WeakPolarHBondContact CG2-OD1 2.98Å; T9-N75 PolarHBondContact OG1-OD1 2.83Å
10	L	92.7	Very high	89.8	Confident	17 Å²	17	68 Å²	68	9%	0.089	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	134.8	170.1	170.8	68.5	0	0	0	109.4	L12 Q73 L74 V77 L106	L10-L12 HydrophobicContact CD1-CD2 4.32Å; L10-L12 HydrophobicContact CD1-CG 4.19Å; L10-L12 HydrophobicContact CD2-CD1 4.06Å; L10-L12 HydrophobicContact CD2-CG 4.2Å; L10-L12 HydrophobicContact CG-CG 4.12Å; L10-Q73 CarbonylContact O-C 3.52Å; L10-Q73 WeakPolarHBondContact O-CA 3.49Å; L10-L74 HydrophobicContact CB-CB 4.35Å; L10-L74 HydrophobicContact CD2-CB 4.47Å; L10-L74 HydrophobicContact CD2-CD2 4.38Å; L10-L74 PolarHBondContact N-O 3.45Å; L10-L74 PolarHBondContact O-N 3.03Å; L10-V77 HydrophobicContact CB-CG1 3.79Å; L10-L106 HydrophobicContact CD1-CD1 3.39Å; L10-L106 HydrophobicContact CD1-CD2 4.39Å; L10-L106 HydrophobicContact CD2-CD1 3.14Å; L10-L106 HydrophobicContact CG-CD1 3.84Å
11	S	95.2	Very high	89.9	Confident	79 Å²	79	64.8 Å²	64.8	55%	0.552	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.3	169.5	-171.5	0	0	0	0	109.4	L72	S11-L72 CarbonylContact C-O 3.57Å; S11-L72 WeakPolarHBondContact CA-O 3.44Å
12	L	96.6	Very high	91.1	Very high	13 Å²	13	61.2 Å²	61.2	7%	0.068	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	142.6	177.4	-72.1	174	0	0	0	109.8	L10 W28 F71 L72 Y85 T104 L106	L10-L12 HydrophobicContact CD1-CD2 4.32Å; L10-L12 HydrophobicContact CD1-CG 4.19Å; L10-L12 HydrophobicContact CD2-CD1 4.06Å; L10-L12 HydrophobicContact CD2-CG 4.2Å; L10-L12 HydrophobicContact CG-CG 4.12Å; L12-W28 HydrophobicContact CB-CH2 3.61Å; L12-W28 HydrophobicContact CB-CZ2 4.18Å; L12-W28 HydrophobicContact CB-CZ3 4Å; L12-W28 HydrophobicContact CD1-CZ3 4.07Å; L12-F71 CarbonylContact O-C 3.55Å; L12-F71 WeakPolarHBondContact O-CA 3.36Å; L12-L72 HydrophobicContact CB-CB 4.37Å; L12-L72 HydrophobicContact CD1-CD2 4.34Å; L12-L72 PolarHBondContact N-O 3.17Å; L12-L72 PolarHBondContact O-N 2.84Å; L12-Y85 VanDerWaalsContact CD1-CB 3.46Å; L12-Y85 HydrophobicContact CD1-CD1 3.71Å; L12-Y85 HydrophobicContact CD1-CD2 4.2Å; L12-Y85 HydrophobicContact CD1-CE1 4.49Å; L12-Y85 HydrophobicContact CD1-CG 3.52Å; L12-T104 HydrophobicContact CD2-CG2 4.13Å; L12-L106 HydrophobicContact CD1-CD1 4.07Å; L12-L106 HydrophobicContact CD2-CD1 4.12Å; L12-L106 HydrophobicContact CG-CD1 4.36Å
13	T	96.9	Very high	91.4	Very high	73 Å²	73	59.8 Å²	59.8	45%	0.448	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.4	178.2	-55.8	0	0	0	0	109.1	Q69 F71	T13-Q69 HydrophobicContact CG2-CB 4.37Å; T13-Q69 HydrophobicContact CG2-CG 4.12Å; T13-F71 HydrophobicContact CG2-CD1 3.81Å; T13-F71 HydrophobicContact CG2-CE1 3.46Å; T13-F71 VanDerWaalsContact CG2-CE1 3.46Å; T13-F71 HydrophobicContact CG2-CZ 4.34Å; T13-F71 VanDerWaalsContact OG1-CD1 3.3Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.46Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.31Å
14	C	95.9	Very high	91.5	Very high	10 Å²	10	54 Å²	54	7%	0.068	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.5	164.5	-176.6	0	0	0	0	109.6	W28 Q69 F70 C87	C14-W28 HydrophobicContact CB-CH2 4.01Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; C14-Q69 WeakPolarHBondContact O-CA 3.49Å; C14-F70 HydrophobicContact CB-CD1 3.85Å; C14-F70 HydrophobicContact CB-CE1 3.44Å; C14-F70 VanDerWaalsContact CB-CE1 3.44Å; C14-F70 HydrophobicContact CB-CE2 4.49Å; C14-F70 HydrophobicContact CB-CZ 3.81Å; C14-F70 PolarHBondContact N-O 3.25Å; C14-F70 PolarHBondContact O-N 2.93Å; C14-F70 VanDerWaalsContact SG-CE1 3.54Å; C14-C87 HydrophobicContact CB-CB 3.47Å; C14-C87 VanDerWaalsContact CB-CB 3.47Å; C14-C87 WeakPolarHBondContact CB-SG 3.34Å; C14-C87 WeakPolarHBondContact SG-CB 3.4Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 3.4Å
15	S	95.2	Very high	91.7	Very high	70 Å²	70	54.2 Å²	54.2	49%	0.49	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.4	175.2	-56.9	0	0	0	0	109.3	Q69	S15-Q69 PolarHBondContact OG-NE2 3.13Å
16	V	92.1	Very high	92	Very high	14 Å²	14	48.1 Å²	48.1	9%	0.085	32%	0.321	C	S	.	.			trans	-88.2	132.7	176.8	-178.6	0	0	0	0	108.6	D19 I21 W26 N68 F70	V16-D19 HydrophobicContact CG1-CB 4.02Å; V16-D19 WeakPolarHBondContact CG1-O 3.37Å; V16-I21 HydrophobicContact CG2-CB 4.48Å; V16-I21 HydrophobicContact CG2-CD1 4.44Å; V16-I21 HydrophobicContact CG2-CG1 4.41Å; V16-W26 HydrophobicContact CB-CH2 4.24Å; V16-W26 HydrophobicContact CB-CZ2 4.38Å; V16-W26 HydrophobicContact CG1-CH2 3.54Å; V16-W26 HydrophobicContact CG1-CZ2 3.66Å; V16-W26 HydrophobicContact CG1-CZ3 4.43Å; V16-W26 HydrophobicContact CG2-CD2 4.21Å; V16-W26 HydrophobicContact CG2-CE3 4.07Å; V16-W26 HydrophobicContact CG2-CH2 3.61Å; V16-W26 HydrophobicContact CG2-CZ2 3.77Å; V16-W26 HydrophobicContact CG2-CZ3 3.77Å; V16-N68 PolarHBondContact N-O 2.85Å; V16-N68 PolarHBondContact O-ND2 2.88Å; V16-F70 HydrophobicContact CG2-CD1 4.45Å; V16-F70 HydrophobicContact CG2-CE1 4.3Å
17	S	90.7	Very high	92.1	Very high	96 Å²	96	46 Å²	46	67%	0.671	31%	0.307	S	S	*	.			trans	-129.7	140.3	177	64.1	0	0	0	0	109.4	D19	S17-D19 PolarHBondContact O-N 3.05Å
18	G	86.6	Confident	92.4	Very high	95 Å²	95	41.5 Å²	41.5	98%	0.979	27%	0.274	S	S	*	.	S	Bend	trans	74.8	0.8	-176.8	0	0	0	0	0	115.6
19	D	85.3	Confident	92.7	Very high	49 Å²	49	37.2 Å²	37.2	26%	0.262	25%	0.254	S	S	.	.	S	Bend	trans	-149.4	172.9	174.8	-170.9	22.9	0	0	0	110.3	V16 S17 S23 N68 R89	V16-D19 HydrophobicContact CG1-CB 4.02Å; V16-D19 WeakPolarHBondContact CG1-O 3.37Å; S17-D19 PolarHBondContact O-N 3.05Å; D19-S23 WeakPolarHBondContact OD1-CB 3.31Å; D19-S23 PolarHBondContact OD1-OG 3.37Å; D19-S23 PolarHBondContact OD2-OG 3.04Å; D19-N68 PolarHBondContact O-ND2 2.97Å; D19-R89 VanDerWaalsContact CG-NH1 3.34Å; D19-R89 IonicContact OD2-CZ 3.16Å; D19-R89 IonicContact OD2-NH1 2.64Å; D19-R89 PolarHBondContact OD2-NH1 3.17Å
20	S	89.6	Confident	92.8	Very high	46 Å²	46	34.1 Å²	34.1	32%	0.322	23%	0.234	S	C	.	.			trans	-101.1	141.7	174.1	-178.3	0	0	0	0	112.1	T22 S23 N68	S20-T22 PolarHBondContact O-N 3.22Å; S20-T22 PolarHBondContact OG-N 2.77Å; S20-T22 VanDerWaalsContact OG-N 3.17Å; S20-T22 PolarHBondContact OG-OG1 3.43Å; S20-S23 VanDerWaalsContact O-CB 3.23Å; S20-S23 WeakPolarHBondContact O-CB 3.24Å; S20-S23 PolarHBondContact O-N 2.87Å; S20-S23 PolarHBondContact O-OG 2.83Å; S20-N68 WeakPolarHBondContact CA-OD1 3.16Å
21	I	91.2	Very high	93	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-12.5	172.4	-156.9	162.2	0	0	0	113.7	V16 W26 R63 T65 N68 Q69 F70	V16-I21 HydrophobicContact CG2-CB 4.48Å; V16-I21 HydrophobicContact CG2-CD1 4.44Å; V16-I21 HydrophobicContact CG2-CG1 4.41Å; I21-W26 HydrophobicContact CG1-CD2 4.47Å; I21-W26 HydrophobicContact CG1-CG 4.04Å; I21-W26 PolarHBondContact O-NE1 2.83Å; I21-W26 VanDerWaalsContact O-NE1 3.17Å; I21-R63 HydrophobicContact CD1-CB 4.19Å; I21-T65 HydrophobicContact CG2-CG2 3.98Å; I21-N68 WeakPolarHBondContact CB-OD1 3.35Å; I21-N68 PolarHBondContact N-OD1 2.87Å; I21-Q69 WeakPolarHBondContact CD1-O 3.3Å; I21-F70 HydrophobicContact CD1-CB 3.47Å; I21-F70 VanDerWaalsContact CD1-CB 3.47Å; I21-F70 HydrophobicContact CD1-CD1 3.56Å; I21-F70 HydrophobicContact CD1-CG 3.86Å; I21-F70 VanDerWaalsContact CD1-N 3.33Å; I21-F70 HydrophobicContact CG1-CD1 4.39Å
22	T	90.4	Very high	93.1	Very high	66 Å²	66	33.6 Å²	33.6	41%	0.405	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	9	174.2	66.9	0	0	0	0	113.1	S20 Y45 T65	S20-T22 PolarHBondContact O-N 3.22Å; S20-T22 PolarHBondContact OG-N 2.77Å; S20-T22 VanDerWaalsContact OG-N 3.17Å; S20-T22 PolarHBondContact OG-OG1 3.43Å; T22-Y45 WeakPolarHBondContact O-CB 3.36Å; T22-T65 HydrophobicContact CG2-CG2 3.68Å
23	S	86.4	Confident	92.8	Very high	36 Å²	36	37.8 Å²	37.8	25%	0.252	25%	0.25	S	C	.	.	S	Bend	trans	-82	-23.3	-178.1	70	0	0	0	0	113.5	D19 S20 Y91	D19-S23 WeakPolarHBondContact OD1-CB 3.31Å; D19-S23 PolarHBondContact OD1-OG 3.37Å; D19-S23 PolarHBondContact OD2-OG 3.04Å; S20-S23 VanDerWaalsContact O-CB 3.23Å; S20-S23 WeakPolarHBondContact O-CB 3.24Å; S20-S23 PolarHBondContact O-N 2.87Å; S20-S23 PolarHBondContact O-OG 2.83Å; S23-Y91 VanDerWaalsContact O-CE1 3.24Å; S23-Y91 WeakPolarHBondContact O-CE1 3.23Å
24	G	88.8	Confident	92.5	Very high	2 Å²	2	37.7 Å²	37.7	2%	0.021	26%	0.264	C	S	.	.	S	Bend	trans	-167.8	-142	-171	0	0	0	0	0	113.9	N44 Y45	G24-N44 CarbonylContact O-C 3.59Å; G24-Y45 PolarHBondContact O-N 3.22Å
25	Y	93.5	Very high	92.2	Very high	22 Å²	22	43.2 Å²	43.2	9%	0.086	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124.9	-178.2	-68.7	-109.6	0	0	0	108.4	N27 Y42 N44 Y45 R89 D90 Y92	Y25-N27 PolarHBondContact O-ND2 3.11Å; Y25-Y42 HydrophobicContact CD1-CD1 4.45Å; Y25-Y42 AromaticContact CD1-CD2 3.71Å; Y25-Y42 HydrophobicContact CD1-CD2 3.71Å; Y25-Y42 HydrophobicContact CD1-CE1 4.39Å; Y25-Y42 AromaticContact CD1-CE2 3.63Å; Y25-Y42 HydrophobicContact CD1-CE2 3.63Å; Y25-Y42 HydrophobicContact CD1-CG 4.19Å; Y25-Y42 HydrophobicContact CE1-CD2 4.36Å; Y25-Y42 AromaticContact CE1-CE2 3.82Å; Y25-Y42 HydrophobicContact CE1-CE2 3.82Å; Y25-N44 HydrophobicContact CD1-CB 3.57Å; Y25-N44 HydrophobicContact CE1-CB 3.49Å; Y25-N44 VanDerWaalsContact CE1-CB 3.49Å; Y25-N44 HydrophobicContact CE2-CB 4.41Å; Y25-N44 HydrophobicContact CG-CB 4.1Å; Y25-Y45 HydrophobicContact CE2-CD1 4.23Å; Y25-Y45 HydrophobicContact CE2-CE1 4.15Å; Y25-R89 WeakPolarHBondContact O-CA 3.45Å; Y25-D90 WeakPolarHBondContact CB-OD1 3.3Å; Y25-D90 PolarHBondContact N-O 2.79Å; Y25-D90 PolarHBondContact O-N 3.17Å; Y25-Y92 HydrophobicContact CE2-CD2 4.23Å; Y25-Y92 HydrophobicContact CE2-CG 4.48Å; Y25-Y92 AromaticContact CZ-CD2 3.87Å; Y25-Y92 WeakPolarHBondContact OH-CD2 3.24Å
26	W	94.9	Very high	92.2	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.011	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.5	-177.3	-68.9	95.9	0	0	0	109.4	V16 I21 Y42 I43 F70 R89 Y99	V16-W26 HydrophobicContact CB-CH2 4.24Å; V16-W26 HydrophobicContact CB-CZ2 4.38Å; V16-W26 HydrophobicContact CG1-CH2 3.54Å; V16-W26 HydrophobicContact CG1-CZ2 3.66Å; V16-W26 HydrophobicContact CG1-CZ3 4.43Å; V16-W26 HydrophobicContact CG2-CD2 4.21Å; V16-W26 HydrophobicContact CG2-CE3 4.07Å; V16-W26 HydrophobicContact CG2-CH2 3.61Å; V16-W26 HydrophobicContact CG2-CZ2 3.77Å; V16-W26 HydrophobicContact CG2-CZ3 3.77Å; I21-W26 HydrophobicContact CG1-CD2 4.47Å; I21-W26 HydrophobicContact CG1-CG 4.04Å; I21-W26 PolarHBondContact O-NE1 2.83Å; I21-W26 VanDerWaalsContact O-NE1 3.17Å; W26-Y42 CarbonylContact O-C 3.54Å; W26-Y42 WeakPolarHBondContact O-CA 3.33Å; W26-Y42 WeakPolarHBondContact O-CB 3.36Å; W26-I43 HydrophobicContact CB-CG2 4.29Å; W26-I43 PolarHBondContact N-O 2.83Å; W26-I43 PolarHBondContact O-N 2.89Å; W26-F70 HydrophobicContact CB-CD1 4.21Å; W26-F70 HydrophobicContact CB-CD2 4.08Å; W26-F70 HydrophobicContact CB-CE1 3.92Å; W26-F70 HydrophobicContact CB-CE2 3.83Å; W26-F70 HydrophobicContact CB-CG 4.25Å; W26-F70 HydrophobicContact CB-CZ 3.71Å; W26-F70 HydrophobicContact CD2-CE1 4.07Å; W26-F70 HydrophobicContact CD2-CZ 4.43Å; W26-F70 AromaticContact CE3-CE1 3.7Å; W26-F70 HydrophobicContact CE3-CE1 3.7Å; W26-F70 AromaticContact CE3-CZ 3.96Å; W26-F70 HydrophobicContact CE3-CZ 3.96Å; W26-F70 HydrophobicContact CG-CD1 4.48Å; W26-F70 HydrophobicContact CG-CE1 4.19Å; W26-F70 HydrophobicContact CG-CZ 4.39Å; W26-R89 HydrophobicContact CD2-CB 4.42Å; W26-R89 HydrophobicContact CD2-CG 4.32Å; W26-R89 HydrophobicContact CE3-CB 3.95Å; W26-R89 HydrophobicContact CE3-CG 4.33Å; W26-R89 HydrophobicContact CH2-CB 3.88Å; W26-R89 HydrophobicContact CH2-CG 3.96Å; W26-R89 HydrophobicContact CZ2-CB 4.34Å; W26-R89 HydrophobicContact CZ2-CG 3.93Å; W26-R89 HydrophobicContact CZ3-CB 3.67Å; W26-R89 HydrophobicContact CZ3-CG 4.17Å; W26-Y99 HydrophobicContact CZ3-CD1 4.2Å
27	N	95.9	Very high	92.4	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.021	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	148	-166.3	-65	-99.9	0	0	0	110.5	Y25 W39 G41 Y42 C87 A88 D90 F97	Y25-N27 PolarHBondContact O-ND2 3.11Å; N27-W39 PolarHBondContact OD1-NE1 2.78Å; N27-G41 WeakPolarHBondContact CA-O 3.48Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.18Å; N27-C87 CarbonylContact O-C 3.56Å; N27-C87 VanDerWaalsContact O-CA 3.3Å; N27-C87 WeakPolarHBondContact O-CA 3.5Å; N27-A88 HydrophobicContact CB-CB 4.44Å; N27-A88 PolarHBondContact N-O 3.06Å; N27-A88 PolarHBondContact O-N 2.98Å; N27-D90 PolarHBondContact ND2-OD1 2.83Å; N27-F97 HydrophobicContact CB-CE1 3.99Å; N27-F97 HydrophobicContact CB-CZ 4.44Å; N27-F97 VanDerWaalsContact CG-CE1 3.47Å; N27-F97 WeakPolarHBondContact ND2-CE1 3.26Å
28	W	97.3	Very high	92.7	Very high	6 Å²	6	47.7 Å²	47.7	2%	0.023	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129	164.6	-77.2	100.9	0	0	0	109.9	L12 C14 M40 G41 F70 L72 Y86	L12-W28 HydrophobicContact CB-CH2 3.61Å; L12-W28 HydrophobicContact CB-CZ2 4.18Å; L12-W28 HydrophobicContact CB-CZ3 4Å; L12-W28 HydrophobicContact CD1-CZ3 4.07Å; C14-W28 HydrophobicContact CB-CH2 4.01Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; W28-M40 HydrophobicContact CB-CB 4.18Å; W28-M40 WeakPolarHBondContact O-CB 3.43Å; W28-M40 PolarHBondContact O-N 3.1Å; W28-G41 PolarHBondContact N-O 3.43Å; W28-F70 AromaticContact CD1-CD2 3.86Å; W28-F70 AromaticContact CD1-CE2 3.66Å; W28-F70 HydrophobicContact CD2-CE2 4.3Å; W28-F70 AromaticContact CE2-CD2 3.91Å; W28-F70 AromaticContact CE2-CE2 3.68Å; W28-F70 HydrophobicContact CG-CE2 4.3Å; W28-F70 HydrophobicContact CZ2-CD2 4.35Å; W28-F70 HydrophobicContact CZ2-CE2 4.22Å; W28-F70 AromaticContact NE1-CD2 3.2Å; W28-F70 AromaticContact NE1-CE2 3.25Å; W28-L72 HydrophobicContact CB-CD2 4.14Å; W28-L72 HydrophobicContact CD2-CB 3.62Å; W28-L72 HydrophobicContact CD2-CD2 3.96Å; W28-L72 HydrophobicContact CD2-CG 4.37Å; W28-L72 VanDerWaalsContact CE2-CB 3.42Å; W28-L72 HydrophobicContact CE3-CB 4.29Å; W28-L72 HydrophobicContact CE3-CD2 4.1Å; W28-L72 HydrophobicContact CG-CB 3.8Å; W28-L72 HydrophobicContact CG-CD1 4.39Å; W28-L72 HydrophobicContact CG-CD2 3.99Å; W28-L72 HydrophobicContact CG-CG 4.29Å; W28-L72 HydrophobicContact CZ2-CB 3.93Å; W28-Y86 WeakPolarHBondContact CA-O 3.42Å
29	I	97.1	Very high	93.1	Very high	5 Å²	5	47 Å²	47	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.7	-178.5	-57.5	171.1	0	0	0	108	L37 E38 Y86 A88 F97 W100	I29-L37 HydrophobicContact CG2-CB 4.27Å; I29-L37 HydrophobicContact CG2-CD2 4.01Å; I29-E38 CarbonylContact C-O 3.56Å; I29-E38 WeakPolarHBondContact CA-O 3.49Å; I29-Y86 PolarHBondContact N-O 2.85Å; I29-Y86 PolarHBondContact O-N 3.04Å; I29-A88 HydrophobicContact CD1-CB 3.79Å; I29-F97 HydrophobicContact CD1-CD2 3.9Å; I29-F97 HydrophobicContact CD1-CE1 4.46Å; I29-F97 HydrophobicContact CD1-CE2 3.53Å; I29-F97 HydrophobicContact CD1-CG 4.48Å; I29-F97 HydrophobicContact CD1-CZ 3.86Å; I29-W100 HydrophobicContact CB-CH2 4.43Å; I29-W100 HydrophobicContact CB-CZ3 4.15Å; I29-W100 HydrophobicContact CD1-CE3 4.48Å; I29-W100 HydrophobicContact CD1-CH2 3.29Å; I29-W100 HydrophobicContact CD1-CZ2 3.92Å; I29-W100 HydrophobicContact CD1-CZ3 3.62Å; I29-W100 HydrophobicContact CG1-CH2 4.43Å; I29-W100 HydrophobicContact CG1-CZ3 4.47Å; I29-W100 HydrophobicContact CG2-CH2 4.14Å; I29-W100 HydrophobicContact CG2-CZ3 4.09Å
30	R	96.9	Very high	93.7	Very high	9 Å²	9	44.7 Å²	44.7	3%	0.034	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	133.1	173.5	176.5	169.4	65.6	-173.7	11.1	109.9	F32 L37 E38 M40 D81 T84 Y85	R30-F32 VanDerWaalsContact NH2-CZ 3.29Å; R30-L37 CarbonylContact O-C 3.45Å; R30-L37 WeakPolarHBondContact O-CA 3.45Å; R30-E38 IonicContact CZ-OE2 2.71Å; R30-E38 PolarHBondContact N-O 2.95Å; R30-E38 IonicContact NE-OE2 3.67Å; R30-E38 PolarHBondContact NE-OE2 2.77Å; R30-E38 VanDerWaalsContact NE-OE2 3.08Å; R30-E38 IonicContact NH2-OE2 2.83Å; R30-E38 PolarHBondContact NH2-OE2 2.59Å; R30-E38 PolarHBondContact O-N 2.93Å; R30-M40 HydrophobicContact CB-CG 4.23Å; R30-M40 HydrophobicContact CB-SD 3.88Å; R30-D81 IonicContact CZ-OD1 3.65Å; R30-D81 VanDerWaalsContact NH1-CA 3.28Å; R30-D81 IonicContact NH1-OD1 3.51Å; R30-D81 PolarHBondContact NH1-OD1 2.87Å; R30-D81 IonicContact NH2-OD1 3.08Å; R30-T84 CarbonylContact C-O 3.59Å; R30-Y85 HydrophobicContact CB-CD1 4.31Å; R30-Y85 HydrophobicContact CB-CE1 4.19Å; R30-Y85 WeakPolarHBondContact CD-OH 3.48Å; R30-Y85 HydrophobicContact CG-CE1 4.22Å; R30-Y85 HydrophobicContact CG-CE2 4.4Å; R30-Y85 PolarHBondContact NH1-OH 3.01Å
31	Q	97.4	Very high	94	Very high	41 Å²	41	42.5 Å²	42.5	19%	0.192	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	119.8	167.7	-168.7	-178.7	39.6	0	0	109.7	N35 K36 L37 G83 T84 Y86	Q31-N35 PolarHBondContact NE2-OD1 2.87Å; Q31-K36 CarbonylContact C-O 3.48Å; Q31-K36 WeakPolarHBondContact CA-O 3.21Å; Q31-L37 HydrophobicContact CB-CD2 3.61Å; Q31-L37 HydrophobicContact CG-CD2 3.72Å; Q31-G83 CarbonylContact O-C 3.55Å; Q31-G83 WeakPolarHBondContact O-CA 3.43Å; Q31-T84 PolarHBondContact N-O 3.08Å; Q31-T84 PolarHBondContact O-N 3.43Å; Q31-Y86 HydrophobicContact CB-CD2 4.27Å; Q31-Y86 HydrophobicContact CB-CE2 3.66Å; Q31-Y86 PolarHBondContact OE1-OH 2.67Å; Q31-Y86 VanDerWaalsContact OE1-OH 3.13Å
32	F	95.6	Very high	94.2	Very high	44 Å²	44	45.5 Å²	45.5	19%	0.193	25%	0.246	C	C	.	.			trans	-76.6	159.1	174.8	-65	-85.7	0	0	0	111.5	R30 G34 N35 K36 E38 E80	R30-F32 VanDerWaalsContact NH2-CZ 3.29Å; F32-G34 PolarHBondContact O-N 2.64Å; F32-N35 PolarHBondContact O-N 3.02Å; F32-K36 HydrophobicContact CB-CB 4.46Å; F32-K36 HydrophobicContact CD2-CB 4.27Å; F32-K36 HydrophobicContact CD2-CD 4.37Å; F32-K36 HydrophobicContact CD2-CG 4.3Å; F32-K36 WeakPolarHBondContact CD2-O 3.47Å; F32-K36 PolarHBondContact N-O 2.88Å; F32-E38 HydrophobicContact CE2-CB 3.7Å; F32-E38 HydrophobicContact CZ-CB 4.46Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.31Å; F32-E80 VanDerWaalsContact CE1-O 3.31Å; F32-E80 WeakPolarHBondContact CE1-O 3.17Å
33	P	90.9	Very high	94.5	Very high	101 Å²	101	42.8 Å²	42.8	66%	0.656	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.4	127.8	160.4	-23.6	34	0	0	0	110	T82	P33-T82 HydrophobicContact CG-CG2 4.36Å
34	G	91.8	Very high	94.9	Very high	72 Å²	72	41.6 Å²	41.6	74%	0.742	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.4	13.7	-171.8	0	0	0	0	0	115.1	F32 K36	F32-G34 PolarHBondContact O-N 2.64Å; G34-K36 VanDerWaalsContact C-N 3.26Å; G34-K36 PolarHBondContact O-N 2.87Å
35	N	89.6	Confident	95	Very high	125 Å²	125	47.3 Å²	47.3	67%	0.668	24%	0.242	S	C	*	.	S	Bend	trans	67.6	10	168.9	-58.8	-43	0	0	0	116.7	Q31 F32 L37	Q31-N35 PolarHBondContact NE2-OD1 2.87Å; F32-N35 PolarHBondContact O-N 3.02Å; N35-L37 PolarHBondContact O-N 3.15Å
36	K	94.9	Very high	94.9	Very high	145 Å²	145	49.5 Å²	49.5	63%	0.63	26%	0.261	S	S	*	.			trans	-69.2	129.3	171.1	-178.1	-178.1	175.9	-173.3	0	109.8	Q31 F32 G34	Q31-K36 CarbonylContact C-O 3.48Å; Q31-K36 WeakPolarHBondContact CA-O 3.21Å; F32-K36 HydrophobicContact CB-CB 4.46Å; F32-K36 HydrophobicContact CD2-CB 4.27Å; F32-K36 HydrophobicContact CD2-CD 4.37Å; F32-K36 HydrophobicContact CD2-CG 4.3Å; F32-K36 WeakPolarHBondContact CD2-O 3.47Å; F32-K36 PolarHBondContact N-O 2.88Å; G34-K36 VanDerWaalsContact C-N 3.26Å; G34-K36 PolarHBondContact O-N 2.87Å
37	L	95.3	Very high	94.9	Very high	91 Å²	91	50.8 Å²	50.8	48%	0.476	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	143.9	174	-63.5	173.3	0	0	0	111.2	I29 R30 Q31 N35 W100	I29-L37 HydrophobicContact CG2-CB 4.27Å; I29-L37 HydrophobicContact CG2-CD2 4.01Å; R30-L37 CarbonylContact O-C 3.45Å; R30-L37 WeakPolarHBondContact O-CA 3.45Å; Q31-L37 HydrophobicContact CB-CD2 3.61Å; Q31-L37 HydrophobicContact CG-CD2 3.72Å; N35-L37 PolarHBondContact O-N 3.15Å; L37-W100 HydrophobicContact CD1-CH2 4.33Å
38	E	96.5	Very high	94.8	Very high	38 Å²	38	53.7 Å²	53.7	18%	0.178	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	119	172.1	174.9	179.3	-118.9	0	0	109.2	I29 R30 F32 L55	I29-E38 CarbonylContact C-O 3.56Å; I29-E38 WeakPolarHBondContact CA-O 3.49Å; R30-E38 IonicContact CZ-OE2 2.71Å; R30-E38 PolarHBondContact N-O 2.95Å; R30-E38 IonicContact NE-OE2 3.67Å; R30-E38 PolarHBondContact NE-OE2 2.77Å; R30-E38 VanDerWaalsContact NE-OE2 3.08Å; R30-E38 IonicContact NH2-OE2 2.83Å; R30-E38 PolarHBondContact NH2-OE2 2.59Å; R30-E38 PolarHBondContact O-N 2.93Å; F32-E38 HydrophobicContact CE2-CB 3.7Å; F32-E38 HydrophobicContact CZ-CB 4.46Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.31Å; E38-L55 HydrophobicContact CG-CD1 4.45Å
39	W	96.2	Very high	94.8	Very high	81 Å²	81	56.1 Å²	56.1	31%	0.307	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	129	168.8	176.4	80.6	0	0	0	109.2	N27 G41 Y42 N52	N27-W39 PolarHBondContact OD1-NE1 2.78Å; W39-G41 VanDerWaalsContact CZ2-C 3.48Å; W39-G41 PolarHBondContact NE1-O 3.16Å; 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 4.19Å; W39-Y42 HydrophobicContact CZ2-CG 4.3Å; W39-N52 HydrophobicContact CE3-CB 3.99Å; W39-N52 HydrophobicContact CZ3-CB 4.1Å; W39-N52 VanDerWaalsContact O-CB 3.29Å; W39-N52 WeakPolarHBondContact O-CB 3.17Å; W39-N52 PolarHBondContact O-ND2 3.27Å
40	M	97.1	Very high	94.7	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-39.5	-177.7	-57.6	-176.1	72.6	0	0	111.7	W28 R30 N52 L55 I59 L72 L74 Y85	W28-M40 HydrophobicContact CB-CB 4.18Å; W28-M40 WeakPolarHBondContact O-CB 3.43Å; W28-M40 PolarHBondContact O-N 3.1Å; R30-M40 HydrophobicContact CB-CG 4.23Å; R30-M40 HydrophobicContact CB-SD 3.88Å; M40-N52 WeakPolarHBondContact O-CB 3.32Å; M40-N52 PolarHBondContact O-N 2.67Å; M40-L55 HydrophobicContact CB-CD1 4.06Å; M40-L55 HydrophobicContact CE-CD1 4.02Å; M40-L55 HydrophobicContact CG-CD1 3.89Å; M40-I59 HydrophobicContact CB-CD1 4.36Å; M40-I59 HydrophobicContact CE-CG2 3.99Å; M40-I59 WeakPolarHBondContact O-CD1 3.49Å; M40-L72 HydrophobicContact CE-CD1 4.44Å; M40-L72 HydrophobicContact CE-CD2 3.79Å; M40-L72 HydrophobicContact SD-CD2 3.73Å; M40-L74 HydrophobicContact CE-CD2 4.5Å; M40-Y85 HydrophobicContact CE-CE1 3.87Å; M40-Y85 HydrophobicContact SD-CD1 3.74Å; M40-Y85 HydrophobicContact SD-CE1 3.61Å
41	G	96.6	Very high	94.7	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.7	172.7	-175.3	0	0	0	0	0	111.9	N27 W28 W39 S50 I61	N27-G41 WeakPolarHBondContact CA-O 3.48Å; W28-G41 PolarHBondContact N-O 3.43Å; W39-G41 VanDerWaalsContact CZ2-C 3.48Å; W39-G41 PolarHBondContact NE1-O 3.16Å; G41-S50 CarbonylContact C-O 3.52Å; G41-S50 WeakPolarHBondContact CA-O 3.43Å; G41-I61 VanDerWaalsContact C-CD1 3.44Å
42	Y	96	Very high	94.7	Very high	65 Å²	65	59.2 Å²	59.2	26%	0.255	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	162.3	171.2	71.3	-113.9	0	0	0	112.2	Y25 W26 N27 W39 N44 T49 S50	Y25-Y42 HydrophobicContact CD1-CD1 4.45Å; Y25-Y42 AromaticContact CD1-CD2 3.71Å; Y25-Y42 HydrophobicContact CD1-CD2 3.71Å; Y25-Y42 HydrophobicContact CD1-CE1 4.39Å; Y25-Y42 AromaticContact CD1-CE2 3.63Å; Y25-Y42 HydrophobicContact CD1-CE2 3.63Å; Y25-Y42 HydrophobicContact CD1-CG 4.19Å; Y25-Y42 HydrophobicContact CE1-CD2 4.36Å; Y25-Y42 AromaticContact CE1-CE2 3.82Å; Y25-Y42 HydrophobicContact CE1-CE2 3.82Å; W26-Y42 CarbonylContact O-C 3.54Å; W26-Y42 WeakPolarHBondContact O-CA 3.33Å; W26-Y42 WeakPolarHBondContact O-CB 3.36Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.18Å; 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 4.19Å; W39-Y42 HydrophobicContact CZ2-CG 4.3Å; Y42-N44 HydrophobicContact CD2-CB 4.38Å; Y42-N44 HydrophobicContact CE2-CB 4.23Å; Y42-T49 VanDerWaalsContact O-CA 3.23Å; Y42-T49 WeakPolarHBondContact O-CA 3.38Å; Y42-S50 VanDerWaalsContact CE1-CB 3.4Å; Y42-S50 PolarHBondContact N-O 2.79Å; Y42-S50 PolarHBondContact O-N 3.11Å
43	I	96.3	Very high	94.7	Very high	8 Å²	8	62.5 Å²	62.5	4%	0.041	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.3	160.1	-169.8	162.8	0	0	0	109.3	W26 S48 T49 I61 R63 F70	W26-I43 HydrophobicContact CB-CG2 4.29Å; W26-I43 PolarHBondContact N-O 2.83Å; W26-I43 PolarHBondContact O-N 2.89Å; I43-S48 WeakPolarHBondContact CA-O 3.34Å; I43-T49 HydrophobicContact CB-CG2 4.12Å; I43-T49 HydrophobicContact CD1-CG2 3.98Å; I43-T49 HydrophobicContact CG1-CG2 3.94Å; I43-I61 HydrophobicContact CB-CG2 3.76Å; I43-I61 HydrophobicContact CG2-CG2 3.74Å; I43-R63 HydrophobicContact CD1-CB 4.02Å; I43-R63 HydrophobicContact CD1-CG 3.74Å; I43-F70 HydrophobicContact CG2-CB 4.26Å; I43-F70 HydrophobicContact CG2-CD2 4.36Å
44	N	93.7	Very high	94.8	Very high	12 Å²	12	62.3 Å²	62.3	6%	0.064	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	177.8	-178	77.9	-3.4	0	0	0	112.3	G24 Y25 Y42 S46 G47 S48 R63	G24-N44 CarbonylContact O-C 3.59Å; Y25-N44 HydrophobicContact CD1-CB 3.57Å; Y25-N44 HydrophobicContact CE1-CB 3.49Å; Y25-N44 VanDerWaalsContact CE1-CB 3.49Å; Y25-N44 HydrophobicContact CE2-CB 4.41Å; Y25-N44 HydrophobicContact CG-CB 4.1Å; Y42-N44 HydrophobicContact CD2-CB 4.38Å; Y42-N44 HydrophobicContact CE2-CB 4.23Å; N44-S46 PolarHBondContact ND2-OG 2.85Å; N44-S46 PolarHBondContact O-N 2.73Å; N44-S46 PolarHBondContact OD1-N 3.28Å; N44-S46 PolarHBondContact OD1-OG 2.87Å; N44-G47 WeakPolarHBondContact O-CA 3.48Å; N44-G47 PolarHBondContact O-N 2.92Å; N44-G47 PolarHBondContact OD1-N 3.06Å; N44-S48 PolarHBondContact N-O 2.71Å; N44-S48 WeakPolarHBondContact OD1-CA 3.42Å; N44-S48 WeakPolarHBondContact OD1-CB 3.37Å; N44-S48 PolarHBondContact OD1-N 2.83Å; N44-S48 PolarHBondContact OD1-O 2.9Å; N44-R63 PolarHBondContact O-NH1 2.66Å
45	Y	91	Very high	95	Very high	122 Å²	122	59.1 Å²	59.1	48%	0.478	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.5	177.9	65.2	-89.8	0	0	0	114.6	T22 G24 Y25 G47 R63	T22-Y45 WeakPolarHBondContact O-CB 3.36Å; G24-Y45 PolarHBondContact O-N 3.22Å; Y25-Y45 HydrophobicContact CE2-CD1 4.23Å; Y25-Y45 HydrophobicContact CE2-CE1 4.15Å; Y45-G47 VanDerWaalsContact C-N 3.33Å; Y45-R63 VanDerWaalsContact O-CZ 3.26Å; Y45-R63 PolarHBondContact O-NH1 3.02Å; Y45-R63 PolarHBondContact O-NH2 2.92Å
46	S	92.3	Very high	95.2	Very high	68 Å²	68	59.7 Å²	59.7	48%	0.476	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-7	173.3	63.1	0	0	0	0	113.5	N44 S48 R63	N44-S46 PolarHBondContact ND2-OG 2.85Å; N44-S46 PolarHBondContact O-N 2.73Å; N44-S46 PolarHBondContact OD1-N 3.28Å; N44-S46 PolarHBondContact OD1-OG 2.87Å; S46-S48 PolarHBondContact OG-OG 3.33Å; S46-S48 VanDerWaalsContact OG-OG 3.11Å; S46-R63 VanDerWaalsContact C-NH2 3.29Å
47	G	93.6	Very high	95.2	Very high	29 Å²	29	58.2 Å²	58.2	30%	0.299	33%	0.327	S	S	.	.	S	Bend	trans	87.2	6.7	-176.8	0	0	0	0	0	113.7	N44 Y45 R63	N44-G47 WeakPolarHBondContact O-CA 3.48Å; N44-G47 PolarHBondContact O-N 2.92Å; N44-G47 PolarHBondContact OD1-N 3.06Å; Y45-G47 VanDerWaalsContact C-N 3.33Å; G47-R63 VanDerWaalsContact N-CZ 3.35Å; G47-R63 VanDerWaalsContact N-NH2 3.18Å
48	S	95.1	Very high	95.2	Very high	66 Å²	66	56.2 Å²	56.2	46%	0.462	31%	0.313	S	S	.	.			trans	-74.2	135.9	174	-52.9	0	0	0	0	110.3	I43 N44 S46	I43-S48 WeakPolarHBondContact CA-O 3.34Å; N44-S48 PolarHBondContact N-O 2.71Å; N44-S48 WeakPolarHBondContact OD1-CA 3.42Å; N44-S48 WeakPolarHBondContact OD1-CB 3.37Å; N44-S48 PolarHBondContact OD1-N 2.83Å; N44-S48 PolarHBondContact OD1-O 2.9Å; S46-S48 PolarHBondContact OG-OG 3.33Å; S46-S48 VanDerWaalsContact OG-OG 3.11Å
49	T	96.6	Very high	95.2	Very high	57 Å²	57	54.9 Å²	54.9	35%	0.35	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	143.9	-176.8	56.8	0	0	0	0	112	Y42 I43 Y51	Y42-T49 VanDerWaalsContact O-CA 3.23Å; Y42-T49 WeakPolarHBondContact O-CA 3.38Å; I43-T49 HydrophobicContact CB-CG2 4.12Å; I43-T49 HydrophobicContact CD1-CG2 3.98Å; I43-T49 HydrophobicContact CG1-CG2 3.94Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.38Å; T49-Y51 PolarHBondContact OG1-OH 2.05Å
50	S	96	Very high	95.3	Very high	43 Å²	43	52.9 Å²	52.9	30%	0.301	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149.6	164.6	-169.5	0	0	0	0	109.5	G41 Y42	G41-S50 CarbonylContact C-O 3.52Å; G41-S50 WeakPolarHBondContact CA-O 3.43Å; Y42-S50 VanDerWaalsContact CE1-CB 3.4Å; Y42-S50 PolarHBondContact N-O 2.79Å; Y42-S50 PolarHBondContact O-N 3.11Å
51	Y	97.2	Very high	95.3	Very high	48 Å²	48	53.1 Å²	53.1	19%	0.188	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	148.1	-172.4	-59.3	-68.4	0	0	0	110.5	T49 P53 K56 I59 I61	T49-Y51 WeakPolarHBondContact OG1-CE2 3.38Å; T49-Y51 PolarHBondContact OG1-OH 2.05Å; Y51-P53 WeakPolarHBondContact O-CD 3.29Å; Y51-K56 HydrophobicContact CD2-CG 4.16Å; Y51-K56 HydrophobicContact CG-CG 4.37Å; Y51-I59 HydrophobicContact CD1-CD1 3.5Å; Y51-I59 VanDerWaalsContact CD1-CD1 3.5Å; Y51-I59 HydrophobicContact CD1-CG1 3.59Å; Y51-I59 HydrophobicContact CE1-CD1 4.33Å; Y51-I59 HydrophobicContact CE1-CG1 4.1Å; Y51-I59 HydrophobicContact CG-CD1 4.22Å; Y51-I59 HydrophobicContact CG-CG1 4.3Å; Y51-I61 HydrophobicContact CD1-CD1 4.18Å; Y51-I61 HydrophobicContact CE1-CB 4.13Å; Y51-I61 HydrophobicContact CE1-CD1 3.98Å; Y51-I61 HydrophobicContact CE1-CG1 3.93Å; Y51-I61 PolarHBondContact OH-N 2.82Å
52	N	96.4	Very high	95.3	Very high	29 Å²	29	56.3 Å²	56.3	16%	0.155	33%	0.326	C	S	.	.			trans	-62.6	124.6	165.2	-176.6	-32	0	0	0	109	W39 M40 S54 L55 K56	W39-N52 HydrophobicContact CE3-CB 3.99Å; W39-N52 HydrophobicContact CZ3-CB 4.1Å; W39-N52 VanDerWaalsContact O-CB 3.29Å; W39-N52 WeakPolarHBondContact O-CB 3.17Å; W39-N52 PolarHBondContact O-ND2 3.27Å; M40-N52 WeakPolarHBondContact O-CB 3.32Å; M40-N52 PolarHBondContact O-N 2.67Å; N52-S54 PolarHBondContact O-N 2.93Å; N52-S54 VanDerWaalsContact O-N 3.11Å; N52-S54 PolarHBondContact OD1-N 3.41Å; N52-L55 HydrophobicContact CB-CB 4.43Å; N52-L55 HydrophobicContact CB-CD1 4.35Å; N52-L55 PolarHBondContact O-N 3.12Å; N52-K56 PolarHBondContact O-N 3.45Å
53	P	95.9	Very high	95.3	Very high	113 Å²	113	56.5 Å²	56.5	73%	0.734	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-36.4	-178	-28.8	35.6	0	0	0	114	Y51 L55	Y51-P53 WeakPolarHBondContact O-CD 3.29Å; P53-L55 PolarHBondContact O-N 2.97Å
54	S	93.4	Very high	95.3	Very high	96 Å²	96	58.1 Å²	58.1	67%	0.671	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-20.3	-180	-59.2	0	0	0	0	113.8	N52	N52-S54 PolarHBondContact O-N 2.93Å; N52-S54 VanDerWaalsContact O-N 3.11Å; N52-S54 PolarHBondContact OD1-N 3.41Å
55	L	94.7	Very high	95.3	Very high	5 Å²	5	61.3 Å²	61.3	3%	0.026	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-13.7	-176.2	-63.3	174.7	0	0	0	113.1	E38 M40 N52 P53 S57 R58 I59	E38-L55 HydrophobicContact CG-CD1 4.45Å; M40-L55 HydrophobicContact CB-CD1 4.06Å; M40-L55 HydrophobicContact CE-CD1 4.02Å; M40-L55 HydrophobicContact CG-CD1 3.89Å; N52-L55 HydrophobicContact CB-CB 4.43Å; N52-L55 HydrophobicContact CB-CD1 4.35Å; N52-L55 PolarHBondContact O-N 3.12Å; P53-L55 PolarHBondContact O-N 2.97Å; L55-S57 PolarHBondContact O-N 2.79Å; L55-R58 PolarHBondContact O-N 2.96Å; L55-I59 HydrophobicContact CB-CD1 3.81Å; L55-I59 HydrophobicContact CB-CG1 4.25Å; L55-I59 HydrophobicContact CB-CG2 4.06Å; L55-I59 WeakPolarHBondContact O-CG1 3.43Å; L55-I59 PolarHBondContact O-N 2.92Å; L55-I59 VanDerWaalsContact O-N 3.09Å
56	K	93.8	Very high	95.5	Very high	138 Å²	138	60.4 Å²	60.4	60%	0.6	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-30.4	-170.7	-173.9	175.7	-179.1	-178.6	0	114.9	Y51 N52	Y51-K56 HydrophobicContact CD2-CG 4.16Å; Y51-K56 HydrophobicContact CG-CG 4.37Å; N52-K56 PolarHBondContact O-N 3.45Å
57	S	95.3	Very high	95.6	Very high	114 Å²	114	63.3 Å²	63.3	80%	0.797	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-17.8	178.3	57.7	0	0	0	0	114	L55	L55-S57 PolarHBondContact O-N 2.79Å
58	R	95.8	Very high	95.7	Very high	49 Å²	49	63.6 Å²	63.6	19%	0.185	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-21.9	-174.1	-57.3	-164.6	-60.6	132	-0.9	113.4	L55 L74 N75 S76 D81	L55-R58 PolarHBondContact O-N 2.96Å; R58-L74 HydrophobicContact CB-CD1 3.96Å; R58-N75 PolarHBondContact O-N 2.9Å; R58-S76 PolarHBondContact NH1-O 2.89Å; R58-D81 IonicContact CZ-OD1 3.62Å; R58-D81 IonicContact CZ-OD2 3.44Å; R58-D81 IonicContact NH1-OD1 3.57Å; R58-D81 IonicContact NH1-OD2 2.67Å; R58-D81 PolarHBondContact NH1-OD2 3.05Å; R58-D81 IonicContact NH2-OD1 2.73Å; R58-D81 PolarHBondContact NH2-OD1 2.92Å; R58-D81 IonicContact NH2-OD2 3.45Å
59	I	96.7	Very high	95.8	Very high	10 Å²	10	62.5 Å²	62.5	5%	0.051	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	147	-175.2	67.7	179.9	0	0	0	113.1	M40 Y51 L55 L72 Q73 L74	M40-I59 HydrophobicContact CB-CD1 4.36Å; M40-I59 HydrophobicContact CE-CG2 3.99Å; M40-I59 WeakPolarHBondContact O-CD1 3.49Å; Y51-I59 HydrophobicContact CD1-CD1 3.5Å; Y51-I59 VanDerWaalsContact CD1-CD1 3.5Å; Y51-I59 HydrophobicContact CD1-CG1 3.59Å; Y51-I59 HydrophobicContact CE1-CD1 4.33Å; Y51-I59 HydrophobicContact CE1-CG1 4.1Å; Y51-I59 HydrophobicContact CG-CD1 4.22Å; Y51-I59 HydrophobicContact CG-CG1 4.3Å; L55-I59 HydrophobicContact CB-CD1 3.81Å; L55-I59 HydrophobicContact CB-CG1 4.25Å; L55-I59 HydrophobicContact CB-CG2 4.06Å; L55-I59 WeakPolarHBondContact O-CG1 3.43Å; L55-I59 PolarHBondContact O-N 2.92Å; L55-I59 VanDerWaalsContact O-N 3.09Å; I59-L72 HydrophobicContact CB-CD1 4.09Å; I59-L72 HydrophobicContact CG2-CD1 4.26Å; I59-Q73 CarbonylContact C-O 3.6Å; I59-Q73 VanDerWaalsContact CA-O 3.25Å; I59-Q73 WeakPolarHBondContact CA-O 3.05Å; I59-L74 HydrophobicContact CG2-CD1 3.49Å; I59-L74 VanDerWaalsContact CG2-CD1 3.49Å
60	S	97.5	Very high	95.7	Very high	38 Å²	38	59.8 Å²	59.8	27%	0.266	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	131.7	168.2	178.2	0	0	0	0	108.9	Q73	S60-Q73 PolarHBondContact N-O 2.63Å; S60-Q73 PolarHBondContact O-N 2.87Å
61	I	97.9	Very high	95.8	Very high	5 Å²	5	59.7 Å²	59.7	3%	0.026	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127	177.4	-61.5	168.7	0	0	0	108.2	G41 I43 Y51 F71 L72	G41-I61 VanDerWaalsContact C-CD1 3.44Å; I43-I61 HydrophobicContact CB-CG2 3.76Å; I43-I61 HydrophobicContact CG2-CG2 3.74Å; Y51-I61 HydrophobicContact CD1-CD1 4.18Å; Y51-I61 HydrophobicContact CE1-CB 4.13Å; Y51-I61 HydrophobicContact CE1-CD1 3.98Å; Y51-I61 HydrophobicContact CE1-CG1 3.93Å; Y51-I61 PolarHBondContact OH-N 2.82Å; I61-F71 VanDerWaalsContact CA-O 3.32Å; I61-F71 WeakPolarHBondContact CA-O 3.4Å; I61-L72 HydrophobicContact CG1-CD1 3.88Å
62	T	97	Very high	95.8	Very high	68 Å²	68	57.4 Å²	57.4	42%	0.417	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	167.6	-179.8	62.1	0	0	0	0	110.8	F70 F71	T62-F70 CarbonylContact O-C 3.43Å; T62-F70 VanDerWaalsContact O-CA 3.26Å; T62-F70 WeakPolarHBondContact O-CA 3.04Å; T62-F70 VanDerWaalsContact O-CB 3.25Å; T62-F70 WeakPolarHBondContact O-CB 3.46Å; T62-F71 PolarHBondContact N-O 3.29Å; T62-F71 VanDerWaalsContact N-O 3.11Å; T62-F71 PolarHBondContact O-N 2.97Å
63	R	95.9	Very high	95.9	Very high	69 Å²	69	60 Å²	60	26%	0.26	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	152.5	176.9	68.9	-178.4	-174.3	169.4	4.6	112.3	I21 I43 N44 Y45 S46 G47 Q69 F70	I21-R63 HydrophobicContact CD1-CB 4.19Å; I43-R63 HydrophobicContact CD1-CB 4.02Å; I43-R63 HydrophobicContact CD1-CG 3.74Å; N44-R63 PolarHBondContact O-NH1 2.66Å; Y45-R63 VanDerWaalsContact O-CZ 3.26Å; Y45-R63 PolarHBondContact O-NH1 3.02Å; Y45-R63 PolarHBondContact O-NH2 2.92Å; S46-R63 VanDerWaalsContact C-NH2 3.29Å; G47-R63 VanDerWaalsContact N-CZ 3.35Å; G47-R63 VanDerWaalsContact N-NH2 3.18Å; R63-Q69 CarbonylContact C-O 3.56Å; R63-Q69 WeakPolarHBondContact CA-O 3.48Å; R63-F70 HydrophobicContact CB-CB 4.16Å
64	D	95.5	Very high	95.9	Very high	41 Å²	41	54.6 Å²	54.6	22%	0.219	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	101.7	169.4	-175.7	-16.9	0	0	0	107.9	S66 K67 N68 Q69 F71	D64-S66 VanDerWaalsContact C-N 3.25Å; D64-S66 PolarHBondContact O-N 3.28Å; D64-S66 WeakPolarHBondContact OD1-CB 3.47Å; D64-S66 PolarHBondContact OD1-N 2.93Å; D64-S66 PolarHBondContact OD1-OG 3.48Å; D64-K67 HydrophobicContact CB-CB 4.36Å; D64-K67 PolarHBondContact O-N 3.05Å; D64-K67 PolarHBondContact OD1-N 3.34Å; D64-K67 WeakPolarHBondContact OD2-CD 3.31Å; D64-K67 VanDerWaalsContact OD2-CE 3.29Å; D64-K67 WeakPolarHBondContact OD2-CE 3.45Å; D64-K67 WeakPolarHBondContact OD2-CG 3.08Å; D64-K67 IonicContact OD2-NZ 3.73Å; D64-N68 PolarHBondContact O-N 2.89Å; D64-Q69 PolarHBondContact N-O 3Å; D64-Q69 PolarHBondContact O-N 3.09Å; D64-F71 HydrophobicContact CB-CE2 3.82Å; D64-F71 HydrophobicContact CB-CZ 4.28Å
65	T	93.9	Very high	96	Very high	79 Å²	79	52.5 Å²	52.5	49%	0.485	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-24.9	-179.3	52.1	0	0	0	0	112.3	I21 T22 K67 N68	I21-T65 HydrophobicContact CG2-CG2 3.98Å; T22-T65 HydrophobicContact CG2-CG2 3.68Å; T65-K67 VanDerWaalsContact C-N 3.3Å; T65-K67 PolarHBondContact O-N 2.83Å; T65-N68 PolarHBondContact O-N 3.15Å
66	S	94.2	Very high	96	Very high	104 Å²	104	55.6 Å²	55.6	73%	0.727	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-30.7	177.7	76.2	0	0	0	0	112.1	D64	D64-S66 VanDerWaalsContact C-N 3.25Å; D64-S66 PolarHBondContact O-N 3.28Å; D64-S66 WeakPolarHBondContact OD1-CB 3.47Å; D64-S66 PolarHBondContact OD1-N 2.93Å; D64-S66 PolarHBondContact OD1-OG 3.48Å
67	K	95.6	Very high	96	Very high	129 Å²	129	49.1 Å²	49.1	56%	0.561	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-2.9	177.8	-63	-178.1	-169.3	160.4	0	113.7	D64 T65 Q69	D64-K67 HydrophobicContact CB-CB 4.36Å; D64-K67 PolarHBondContact O-N 3.05Å; D64-K67 PolarHBondContact OD1-N 3.34Å; D64-K67 WeakPolarHBondContact OD2-CD 3.31Å; D64-K67 VanDerWaalsContact OD2-CE 3.29Å; D64-K67 WeakPolarHBondContact OD2-CE 3.45Å; D64-K67 WeakPolarHBondContact OD2-CG 3.08Å; D64-K67 IonicContact OD2-NZ 3.73Å; T65-K67 VanDerWaalsContact C-N 3.3Å; T65-K67 PolarHBondContact O-N 2.83Å; K67-Q69 VanDerWaalsContact C-N 3.3Å; K67-Q69 HydrophobicContact CB-CB 4.26Å; K67-Q69 HydrophobicContact CB-CG 4.16Å; K67-Q69 WeakPolarHBondContact O-CG 3.18Å; K67-Q69 PolarHBondContact O-N 2.84Å
68	N	95.2	Very high	96	Very high	35 Å²	35	47.1 Å²	47.1	19%	0.187	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	44.5	-174.2	-155	34.2	0	0	0	112.8	V16 D19 S20 I21 D64 T65	V16-N68 PolarHBondContact N-O 2.85Å; V16-N68 PolarHBondContact O-ND2 2.88Å; D19-N68 PolarHBondContact O-ND2 2.97Å; S20-N68 WeakPolarHBondContact CA-OD1 3.16Å; I21-N68 WeakPolarHBondContact CB-OD1 3.35Å; I21-N68 PolarHBondContact N-OD1 2.87Å; D64-N68 PolarHBondContact O-N 2.89Å; T65-N68 PolarHBondContact O-N 3.15Å
69	Q	96.4	Very high	95.9	Very high	42 Å²	42	48 Å²	48	20%	0.196	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.2	-172.4	-79.1	173.2	-12.4	0	0	112	T13 C14 S15 I21 R63 D64 K67 F71	T13-Q69 HydrophobicContact CG2-CB 4.37Å; T13-Q69 HydrophobicContact CG2-CG 4.12Å; C14-Q69 WeakPolarHBondContact O-CA 3.49Å; S15-Q69 PolarHBondContact OG-NE2 3.13Å; I21-Q69 WeakPolarHBondContact CD1-O 3.3Å; R63-Q69 CarbonylContact C-O 3.56Å; R63-Q69 WeakPolarHBondContact CA-O 3.48Å; D64-Q69 PolarHBondContact N-O 3Å; D64-Q69 PolarHBondContact O-N 3.09Å; K67-Q69 VanDerWaalsContact C-N 3.3Å; K67-Q69 HydrophobicContact CB-CB 4.26Å; K67-Q69 HydrophobicContact CB-CG 4.16Å; K67-Q69 WeakPolarHBondContact O-CG 3.18Å; K67-Q69 PolarHBondContact O-N 2.84Å; Q69-F71 HydrophobicContact CB-CE1 4.31Å; Q69-F71 HydrophobicContact CB-CE2 4.06Å; Q69-F71 HydrophobicContact CB-CZ 3.66Å
70	F	96.3	Very high	95.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	157	164.1	64.4	-61.5	0	0	0	111.6	C14 V16 I21 W26 W28 I43 T62 R63 C87	C14-F70 HydrophobicContact CB-CD1 3.85Å; C14-F70 HydrophobicContact CB-CE1 3.44Å; C14-F70 VanDerWaalsContact CB-CE1 3.44Å; C14-F70 HydrophobicContact CB-CE2 4.49Å; C14-F70 HydrophobicContact CB-CZ 3.81Å; C14-F70 PolarHBondContact N-O 3.25Å; C14-F70 PolarHBondContact O-N 2.93Å; C14-F70 VanDerWaalsContact SG-CE1 3.54Å; V16-F70 HydrophobicContact CG2-CD1 4.45Å; V16-F70 HydrophobicContact CG2-CE1 4.3Å; I21-F70 HydrophobicContact CD1-CB 3.47Å; I21-F70 VanDerWaalsContact CD1-CB 3.47Å; I21-F70 HydrophobicContact CD1-CD1 3.56Å; I21-F70 HydrophobicContact CD1-CG 3.86Å; I21-F70 VanDerWaalsContact CD1-N 3.33Å; I21-F70 HydrophobicContact CG1-CD1 4.39Å; W26-F70 HydrophobicContact CB-CD1 4.21Å; W26-F70 HydrophobicContact CB-CD2 4.08Å; W26-F70 HydrophobicContact CB-CE1 3.92Å; W26-F70 HydrophobicContact CB-CE2 3.83Å; W26-F70 HydrophobicContact CB-CG 4.25Å; W26-F70 HydrophobicContact CB-CZ 3.71Å; W26-F70 HydrophobicContact CD2-CE1 4.07Å; W26-F70 HydrophobicContact CD2-CZ 4.43Å; W26-F70 AromaticContact CE3-CE1 3.7Å; W26-F70 HydrophobicContact CE3-CE1 3.7Å; W26-F70 AromaticContact CE3-CZ 3.96Å; W26-F70 HydrophobicContact CE3-CZ 3.96Å; W26-F70 HydrophobicContact CG-CD1 4.48Å; W26-F70 HydrophobicContact CG-CE1 4.19Å; W26-F70 HydrophobicContact CG-CZ 4.39Å; W28-F70 AromaticContact CD1-CD2 3.86Å; W28-F70 AromaticContact CD1-CE2 3.66Å; W28-F70 HydrophobicContact CD2-CE2 4.3Å; W28-F70 AromaticContact CE2-CD2 3.91Å; W28-F70 AromaticContact CE2-CE2 3.68Å; W28-F70 HydrophobicContact CG-CE2 4.3Å; W28-F70 HydrophobicContact CZ2-CD2 4.35Å; W28-F70 HydrophobicContact CZ2-CE2 4.22Å; W28-F70 AromaticContact NE1-CD2 3.2Å; W28-F70 AromaticContact NE1-CE2 3.25Å; I43-F70 HydrophobicContact CG2-CB 4.26Å; I43-F70 HydrophobicContact CG2-CD2 4.36Å; T62-F70 CarbonylContact O-C 3.43Å; T62-F70 VanDerWaalsContact O-CA 3.26Å; T62-F70 WeakPolarHBondContact O-CA 3.04Å; T62-F70 VanDerWaalsContact O-CB 3.25Å; T62-F70 WeakPolarHBondContact O-CB 3.46Å; R63-F70 HydrophobicContact CB-CB 4.16Å; F70-C87 HydrophobicContact CE1-CB 3.96Å; F70-C87 HydrophobicContact CE2-CB 4.17Å; F70-C87 HydrophobicContact CZ-CB 3.32Å
71	F	97.3	Very high	95.5	Very high	41 Å²	41	51.5 Å²	51.5	18%	0.18	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.5	-167.6	-47.8	-89	0	0	0	110.2	L12 T13 I61 T62 D64 Q69	L12-F71 CarbonylContact O-C 3.55Å; L12-F71 WeakPolarHBondContact O-CA 3.36Å; T13-F71 HydrophobicContact CG2-CD1 3.81Å; T13-F71 HydrophobicContact CG2-CE1 3.46Å; T13-F71 VanDerWaalsContact CG2-CE1 3.46Å; T13-F71 HydrophobicContact CG2-CZ 4.34Å; T13-F71 VanDerWaalsContact OG1-CD1 3.3Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.46Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.31Å; I61-F71 VanDerWaalsContact CA-O 3.32Å; I61-F71 WeakPolarHBondContact CA-O 3.4Å; T62-F71 PolarHBondContact N-O 3.29Å; T62-F71 VanDerWaalsContact N-O 3.11Å; T62-F71 PolarHBondContact O-N 2.97Å; D64-F71 HydrophobicContact CB-CE2 3.82Å; D64-F71 HydrophobicContact CB-CZ 4.28Å; Q69-F71 HydrophobicContact CB-CE1 4.31Å; Q69-F71 HydrophobicContact CB-CE2 4.06Å; Q69-F71 HydrophobicContact CB-CZ 3.66Å
72	L	97.9	Very high	95.4	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	121.5	165.9	172.8	70	0	0	0	108	S11 L12 W28 M40 I59 I61 Y85	S11-L72 CarbonylContact C-O 3.57Å; S11-L72 WeakPolarHBondContact CA-O 3.44Å; L12-L72 HydrophobicContact CB-CB 4.37Å; L12-L72 HydrophobicContact CD1-CD2 4.34Å; L12-L72 PolarHBondContact N-O 3.17Å; L12-L72 PolarHBondContact O-N 2.84Å; W28-L72 HydrophobicContact CB-CD2 4.14Å; W28-L72 HydrophobicContact CD2-CB 3.62Å; W28-L72 HydrophobicContact CD2-CD2 3.96Å; W28-L72 HydrophobicContact CD2-CG 4.37Å; W28-L72 VanDerWaalsContact CE2-CB 3.42Å; W28-L72 HydrophobicContact CE3-CB 4.29Å; W28-L72 HydrophobicContact CE3-CD2 4.1Å; W28-L72 HydrophobicContact CG-CB 3.8Å; W28-L72 HydrophobicContact CG-CD1 4.39Å; W28-L72 HydrophobicContact CG-CD2 3.99Å; W28-L72 HydrophobicContact CG-CG 4.29Å; W28-L72 HydrophobicContact CZ2-CB 3.93Å; M40-L72 HydrophobicContact CE-CD1 4.44Å; M40-L72 HydrophobicContact CE-CD2 3.79Å; M40-L72 HydrophobicContact SD-CD2 3.73Å; I59-L72 HydrophobicContact CB-CD1 4.09Å; I59-L72 HydrophobicContact CG2-CD1 4.26Å; I61-L72 HydrophobicContact CG1-CD1 3.88Å; L72-Y85 HydrophobicContact CD2-CD1 4.04Å; L72-Y85 HydrophobicContact CD2-CE1 4.33Å
73	Q	97.3	Very high	95.4	Very high	83 Å²	83	49.7 Å²	49.7	39%	0.388	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.6	165.9	-170.5	179.4	28.1	0	0	108.4	T9 L10 I59 S60	T9-Q73 HydrophobicContact CG2-CG 3.49Å; T9-Q73 VanDerWaalsContact CG2-CG 3.49Å; L10-Q73 CarbonylContact O-C 3.52Å; L10-Q73 WeakPolarHBondContact O-CA 3.49Å; I59-Q73 CarbonylContact C-O 3.6Å; I59-Q73 VanDerWaalsContact CA-O 3.25Å; I59-Q73 WeakPolarHBondContact CA-O 3.05Å; S60-Q73 PolarHBondContact N-O 2.63Å; S60-Q73 PolarHBondContact O-N 2.87Å
74	L	96.3	Very high	95.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	114.2	174.2	174.6	65.9	0	0	0	108.4	T9 L10 M40 R58 I59 V77 D81	T9-L74 WeakPolarHBondContact CA-O 3.18Å; L10-L74 HydrophobicContact CB-CB 4.35Å; L10-L74 HydrophobicContact CD2-CB 4.47Å; L10-L74 HydrophobicContact CD2-CD2 4.38Å; L10-L74 PolarHBondContact N-O 3.45Å; L10-L74 PolarHBondContact O-N 3.03Å; M40-L74 HydrophobicContact CE-CD2 4.5Å; R58-L74 HydrophobicContact CB-CD1 3.96Å; I59-L74 HydrophobicContact CG2-CD1 3.49Å; I59-L74 VanDerWaalsContact CG2-CD1 3.49Å; L74-V77 HydrophobicContact CD2-CG1 3.95Å; L74-V77 HydrophobicContact CG-CG1 3.97Å; L74-D81 HydrophobicContact CD2-CB 4.03Å
75	N	95.8	Very high	95.6	Very high	52 Å²	52	45.7 Å²	45.7	28%	0.278	25%	0.251	S	S	.	.			trans	-90.2	150.2	-177.7	-63.8	-46.9	0	0	0	111.5	T9 R58	T9-N75 WeakPolarHBondContact CG2-OD1 2.98Å; T9-N75 PolarHBondContact OG1-OD1 2.83Å; R58-N75 PolarHBondContact O-N 2.9Å
76	S	93.9	Very high	95.7	Very high	70 Å²	70	44 Å²	44	49%	0.49	24%	0.236	S	C	.	.	S	Bend	trans	51.8	59.8	177	-55	0	0	0	0	111.5	Q8 R58	Q8-S76 PolarHBondContact O-N 2.85Å; R58-S76 PolarHBondContact NH1-O 2.89Å
77	V	94.7	Very high	95.8	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.012	21%	0.206	C	C	.	.			trans	-63	141.5	-179.4	-61.8	0	0	0	0	111.3	V4 K5 P6 S7 Q8 L10 L74 D81 V108	V4-V77 HydrophobicContact CG1-CG2 3.91Å; K5-V77 WeakPolarHBondContact O-CG2 3.43Å; P6-V77 CarbonylContact C-O 3.52Å; P6-V77 WeakPolarHBondContact CA-O 3.14Å; S7-V77 PolarHBondContact N-O 2.9Å; Q8-V77 HydrophobicContact CB-CG2 4.38Å; Q8-V77 WeakPolarHBondContact O-CG2 2.94Å; Q8-V77 PolarHBondContact O-N 2.92Å; L10-V77 HydrophobicContact CB-CG1 3.79Å; L74-V77 HydrophobicContact CD2-CG1 3.95Å; L74-V77 HydrophobicContact CG-CG1 3.97Å; V77-D81 WeakPolarHBondContact CA-OD2 3.18Å; V77-V108 HydrophobicContact CB-CG2 4.22Å; V77-V108 HydrophobicContact CG2-CG1 4.05Å; V77-V108 HydrophobicContact CG2-CG2 4.21Å
78	I	94.6	Very high	95.7	Very high	72 Å²	72	33.6 Å²	33.6	37%	0.369	18%	0.179	S	C	.	.			trans	-121.4	162.7	178.3	58.7	176.6	0	0	0	109.9	E80 D81 V108	I78-E80 WeakPolarHBondContact CB-OE2 3.4Å; I78-E80 HydrophobicContact CD1-CB 4.02Å; I78-E80 HydrophobicContact CD1-CG 4.4Å; I78-E80 VanDerWaalsContact CD1-OE2 3.24Å; I78-E80 WeakPolarHBondContact CD1-OE2 3.25Å; I78-E80 HydrophobicContact CG1-CB 4.08Å; I78-E80 VanDerWaalsContact CG1-OE2 3.24Å; I78-E80 WeakPolarHBondContact CG1-OE2 3.32Å; I78-E80 PolarHBondContact O-N 3.11Å; I78-E80 VanDerWaalsContact O-N 3.11Å; I78-D81 WeakPolarHBondContact CG1-OD2 3.24Å; I78-D81 PolarHBondContact N-OD2 3.34Å; I78-D81 WeakPolarHBondContact O-CA 3.16Å; I78-D81 VanDerWaalsContact O-CB 3.31Å; I78-D81 WeakPolarHBondContact O-CB 3.4Å; I78-D81 PolarHBondContact O-N 3.45Å; I78-V108 WeakPolarHBondContact O-CB 3.34Å; I78-V108 WeakPolarHBondContact O-CG1 3.44Å
79	P	93.8	Very high	95.6	Very high	66 Å²	66	33.8 Å²	33.8	43%	0.429	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-51.3	-34.7	178.5	-30.1	38.3	0	0	0	114	D81 T82	P79-D81 PolarHBondContact O-N 2.83Å; P79-T82 WeakPolarHBondContact O-CB 3.22Å; P79-T82 PolarHBondContact O-N 2.76Å; P79-T82 PolarHBondContact O-OG1 2.79Å
80	E	92.8	Very high	95.3	Very high	120 Å²	120	33.1 Å²	33.1	56%	0.561	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-65	-17.7	176.7	-61	72	-161.1	0	0	112.7	F32 I78 T82	F32-E80 VanDerWaalsContact CE1-O 3.31Å; F32-E80 WeakPolarHBondContact CE1-O 3.17Å; I78-E80 WeakPolarHBondContact CB-OE2 3.4Å; I78-E80 HydrophobicContact CD1-CB 4.02Å; I78-E80 HydrophobicContact CD1-CG 4.4Å; I78-E80 VanDerWaalsContact CD1-OE2 3.24Å; I78-E80 WeakPolarHBondContact CD1-OE2 3.25Å; I78-E80 HydrophobicContact CG1-CB 4.08Å; I78-E80 VanDerWaalsContact CG1-OE2 3.24Å; I78-E80 WeakPolarHBondContact CG1-OE2 3.32Å; I78-E80 PolarHBondContact O-N 3.11Å; I78-E80 VanDerWaalsContact O-N 3.11Å; E80-T82 PolarHBondContact O-N 2.77Å
81	D	94.3	Very high	94.8	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.011	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-79.4	1	173.5	-60.5	-45.7	0	0	0	113.3	R30 R58 L74 V77 I78 P79 G83 Y85 V108	R30-D81 IonicContact CZ-OD1 3.65Å; R30-D81 VanDerWaalsContact NH1-CA 3.28Å; R30-D81 IonicContact NH1-OD1 3.51Å; R30-D81 PolarHBondContact NH1-OD1 2.87Å; R30-D81 IonicContact NH2-OD1 3.08Å; R58-D81 IonicContact CZ-OD1 3.62Å; R58-D81 IonicContact CZ-OD2 3.44Å; R58-D81 IonicContact NH1-OD1 3.57Å; R58-D81 IonicContact NH1-OD2 2.67Å; R58-D81 PolarHBondContact NH1-OD2 3.05Å; R58-D81 IonicContact NH2-OD1 2.73Å; R58-D81 PolarHBondContact NH2-OD1 2.92Å; R58-D81 IonicContact NH2-OD2 3.45Å; L74-D81 HydrophobicContact CD2-CB 4.03Å; V77-D81 WeakPolarHBondContact CA-OD2 3.18Å; I78-D81 WeakPolarHBondContact CG1-OD2 3.24Å; I78-D81 PolarHBondContact N-OD2 3.34Å; I78-D81 WeakPolarHBondContact O-CA 3.16Å; I78-D81 VanDerWaalsContact O-CB 3.31Å; I78-D81 WeakPolarHBondContact O-CB 3.4Å; I78-D81 PolarHBondContact O-N 3.45Å; P79-D81 PolarHBondContact O-N 2.83Å; D81-G83 PolarHBondContact O-N 2.93Å; D81-Y85 WeakPolarHBondContact O-CE2 3.23Å; D81-Y85 PolarHBondContact O-OH 2.95Å; D81-V108 HydrophobicContact CB-CG2 4.48Å
82	T	95.5	Very high	93.5	Very high	31 Å²	31	45.1 Å²	45.1	19%	0.19	22%	0.221	C	C	.	.			trans	-61.9	129.8	171.9	-66.3	0	0	0	0	111	P33 P79 E80 T107 V108	P33-T82 HydrophobicContact CG-CG2 4.36Å; P79-T82 WeakPolarHBondContact O-CB 3.22Å; P79-T82 PolarHBondContact O-N 2.76Å; P79-T82 PolarHBondContact O-OG1 2.79Å; E80-T82 PolarHBondContact O-N 2.77Å; T82-T107 HydrophobicContact CG2-CG2 4.45Å; T82-V108 PolarHBondContact OG1-N 2.75Å
83	G	96.1	Very high	92.1	Very high	5 Å²	5	49 Å²	49	5%	0.052	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.8	-178.8	-179.6	0	0	0	0	0	113.2	Q31 D81 L106	Q31-G83 CarbonylContact O-C 3.55Å; Q31-G83 WeakPolarHBondContact O-CA 3.43Å; D81-G83 PolarHBondContact O-N 2.93Å; G83-L106 PolarHBondContact N-O 2.99Å; G83-L106 PolarHBondContact O-N 2.58Å
84	T	97.5	Very high	91	Very high	22 Å²	22	46.6 Å²	46.6	14%	0.135	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.2	171.3	-54.9	0	0	0	0	109.8	R30 Q31 Y86 T104 T105	R30-T84 CarbonylContact C-O 3.59Å; Q31-T84 PolarHBondContact N-O 3.08Å; Q31-T84 PolarHBondContact O-N 3.43Å; T84-Y86 HydrophobicContact CG2-CD2 4.25Å; T84-Y86 HydrophobicContact CG2-CE1 3.94Å; T84-Y86 HydrophobicContact CG2-CE2 3.51Å; T84-Y86 VanDerWaalsContact CG2-OH 3.32Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.47Å; T84-Y86 WeakPolarHBondContact O-CD2 3.49Å; T84-T104 WeakPolarHBondContact CA-O 3.4Å; T84-T105 PolarHBondContact OG1-OG1 2.86Å
85	Y	97.5	Very high	90	Very high	3 Å²	3	52.3 Å²	52.3	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.2	-177.2	-69.8	-103.5	0	0	0	109.7	L12 R30 M40 L72 D81 G103 T104 L106	L12-Y85 VanDerWaalsContact CD1-CB 3.46Å; L12-Y85 HydrophobicContact CD1-CD1 3.71Å; L12-Y85 HydrophobicContact CD1-CD2 4.2Å; L12-Y85 HydrophobicContact CD1-CE1 4.49Å; L12-Y85 HydrophobicContact CD1-CG 3.52Å; R30-Y85 HydrophobicContact CB-CD1 4.31Å; R30-Y85 HydrophobicContact CB-CE1 4.19Å; R30-Y85 WeakPolarHBondContact CD-OH 3.48Å; R30-Y85 HydrophobicContact CG-CE1 4.22Å; R30-Y85 HydrophobicContact CG-CE2 4.4Å; R30-Y85 PolarHBondContact NH1-OH 3.01Å; M40-Y85 HydrophobicContact CE-CE1 3.87Å; M40-Y85 HydrophobicContact SD-CD1 3.74Å; M40-Y85 HydrophobicContact SD-CE1 3.61Å; L72-Y85 HydrophobicContact CD2-CD1 4.04Å; L72-Y85 HydrophobicContact CD2-CE1 4.33Å; D81-Y85 WeakPolarHBondContact O-CE2 3.23Å; D81-Y85 PolarHBondContact O-OH 2.95Å; Y85-G103 CarbonylContact O-C 3.52Å; Y85-G103 WeakPolarHBondContact O-CA 3.49Å; Y85-T104 PolarHBondContact N-O 3.36Å; Y85-T104 PolarHBondContact O-N 3.28Å; Y85-L106 HydrophobicContact CD2-CB 4.36Å; Y85-L106 HydrophobicContact CD2-CD1 3.75Å; Y85-L106 HydrophobicContact CD2-CG 4.1Å; Y85-L106 HydrophobicContact CE2-CB 4.16Å; Y85-L106 HydrophobicContact CE2-CD1 3.79Å; Y85-L106 HydrophobicContact CE2-CG 4.29Å
86	Y	97.3	Very high	89.3	Confident	44 Å²	44	57.3 Å²	57.3	17%	0.173	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	141.2	-178	-61.2	-85.8	0	0	0	110.3	W28 I29 Q31 T84 W100 G101 G103	W28-Y86 WeakPolarHBondContact CA-O 3.42Å; I29-Y86 PolarHBondContact N-O 2.85Å; I29-Y86 PolarHBondContact O-N 3.04Å; Q31-Y86 HydrophobicContact CB-CD2 4.27Å; Q31-Y86 HydrophobicContact CB-CE2 3.66Å; Q31-Y86 PolarHBondContact OE1-OH 2.67Å; Q31-Y86 VanDerWaalsContact OE1-OH 3.13Å; T84-Y86 HydrophobicContact CG2-CD2 4.25Å; T84-Y86 HydrophobicContact CG2-CE1 3.94Å; T84-Y86 HydrophobicContact CG2-CE2 3.51Å; T84-Y86 VanDerWaalsContact CG2-OH 3.32Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.47Å; T84-Y86 WeakPolarHBondContact O-CD2 3.49Å; Y86-W100 HydrophobicContact CD1-CE3 4.34Å; Y86-W100 HydrophobicContact CD2-CZ3 4.5Å; Y86-W100 HydrophobicContact CG-CE3 4.07Å; Y86-W100 HydrophobicContact CG-CZ3 4.2Å; Y86-G101 WeakPolarHBondContact CD1-O 3.49Å; Y86-G103 VanDerWaalsContact CD1-CA 3.44Å
87	C	95.6	Very high	88.9	Confident	14 Å²	14	57.3 Å²	57.3	10%	0.095	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	141.5	157.1	40.4	0	0	0	0	110.1	C14 N27 F70 W100 G101	C14-C87 HydrophobicContact CB-CB 3.47Å; C14-C87 VanDerWaalsContact CB-CB 3.47Å; C14-C87 WeakPolarHBondContact CB-SG 3.34Å; C14-C87 WeakPolarHBondContact SG-CB 3.4Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 3.4Å; N27-C87 CarbonylContact O-C 3.56Å; N27-C87 VanDerWaalsContact O-CA 3.3Å; N27-C87 WeakPolarHBondContact O-CA 3.5Å; F70-C87 HydrophobicContact CE1-CB 3.96Å; F70-C87 HydrophobicContact CE2-CB 4.17Å; F70-C87 HydrophobicContact CZ-CB 3.32Å; C87-W100 CarbonylContact O-C 3.52Å; C87-W100 WeakPolarHBondContact O-CA 3.45Å; C87-G101 PolarHBondContact O-N 3.04Å
88	A	94.8	Very high	88.5	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	153.8	176.1	0	0	0	0	0	111.7	N27 I29 F97 Y99 W100	N27-A88 HydrophobicContact CB-CB 4.44Å; N27-A88 PolarHBondContact N-O 3.06Å; N27-A88 PolarHBondContact O-N 2.98Å; I29-A88 HydrophobicContact CD1-CB 3.79Å; A88-F97 HydrophobicContact CB-CB 4.14Å; A88-F97 HydrophobicContact CB-CD1 3.86Å; A88-F97 HydrophobicContact CB-CE1 4.48Å; A88-F97 HydrophobicContact CB-CG 3.93Å; A88-Y99 CarbonylContact C-O 3.59Å; A88-Y99 WeakPolarHBondContact CA-O 3.35Å; A88-Y99 WeakPolarHBondContact CB-O 3.12Å; A88-W100 HydrophobicContact CB-CD2 4.03Å; A88-W100 HydrophobicContact CB-CE3 4.22Å; A88-W100 HydrophobicContact CB-CG 4.42Å
89	R	93	Very high	88.2	Confident	39 Å²	39	61.5 Å²	61.5	15%	0.147	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	140.6	176.8	-169.3	-174.3	67.9	-178.7	3.2	110.9	D19 Y25 W26 Y91 F97 D98 Y99	D19-R89 VanDerWaalsContact CG-NH1 3.34Å; D19-R89 IonicContact OD2-CZ 3.16Å; D19-R89 IonicContact OD2-NH1 2.64Å; D19-R89 PolarHBondContact OD2-NH1 3.17Å; Y25-R89 WeakPolarHBondContact O-CA 3.45Å; W26-R89 HydrophobicContact CD2-CB 4.42Å; W26-R89 HydrophobicContact CD2-CG 4.32Å; W26-R89 HydrophobicContact CE3-CB 3.95Å; W26-R89 HydrophobicContact CE3-CG 4.33Å; W26-R89 HydrophobicContact CH2-CB 3.88Å; W26-R89 HydrophobicContact CH2-CG 3.96Å; W26-R89 HydrophobicContact CZ2-CB 4.34Å; W26-R89 HydrophobicContact CZ2-CG 3.93Å; W26-R89 HydrophobicContact CZ3-CB 3.67Å; W26-R89 HydrophobicContact CZ3-CG 4.17Å; R89-Y91 VanDerWaalsContact CZ-OH 3.29Å; R89-Y91 PolarHBondContact NH1-OH 2.91Å; R89-F97 CarbonylContact O-C 3.58Å; R89-F97 WeakPolarHBondContact O-CA 3.25Å; R89-D98 IonicContact CZ-OD1 3.71Å; R89-D98 IonicContact CZ-OD2 2.93Å; R89-D98 IonicContact NE-OD1 2.63Å; R89-D98 PolarHBondContact NE-OD1 3.03Å; R89-D98 IonicContact NE-OD2 3.41Å; R89-D98 PolarHBondContact NE-OD2 3.31Å; R89-D98 VanDerWaalsContact NH2-CG 3.28Å; R89-D98 IonicContact NH2-OD1 3.51Å; R89-D98 PolarHBondContact NH2-OD1 3.22Å; R89-D98 IonicContact NH2-OD2 3.59Å; R89-D98 PolarHBondContact NH2-OD2 2.78Å; R89-D98 PolarHBondContact O-N 3.11Å; R89-D98 VanDerWaalsContact O-N 3.12Å; R89-D98 VanDerWaalsContact O-OD1 3.12Å; R89-Y99 PolarHBondContact N-O 2.95Å
90	D	90.1	Very high	88.2	Confident	29 Å²	29	62.8 Å²	62.8	16%	0.155	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	168.3	160.7	68.6	-47.5	0	0	0	111.3	Y25 N27 F97	Y25-D90 WeakPolarHBondContact CB-OD1 3.3Å; Y25-D90 PolarHBondContact N-O 2.79Å; Y25-D90 PolarHBondContact O-N 3.17Å; N27-D90 PolarHBondContact ND2-OD1 2.83Å; D90-F97 HydrophobicContact CB-CD1 3.82Å; D90-F97 HydrophobicContact CB-CE1 4.07Å
91	Y	83.9	Confident	88.2	Confident	91 Å²	91	57.7 Å²	57.7	36%	0.357	29%	0.294	S	S	.	.			trans	-112	154	173.6	-71.2	-76.2	0	0	0	110.3	S23 R89 G93 S94 D98	S23-Y91 VanDerWaalsContact O-CE1 3.24Å; S23-Y91 WeakPolarHBondContact O-CE1 3.23Å; R89-Y91 VanDerWaalsContact CZ-OH 3.29Å; R89-Y91 PolarHBondContact NH1-OH 2.91Å; Y91-G93 PolarHBondContact O-N 2.96Å; Y91-G93 VanDerWaalsContact O-N 3.15Å; Y91-S94 WeakPolarHBondContact O-CB 3.41Å; Y91-S94 PolarHBondContact O-N 2.89Å; Y91-D98 VanDerWaalsContact CE2-OD2 3.31Å; Y91-D98 WeakPolarHBondContact CE2-OD2 3.19Å
92	Y	70.1	Confident	88.2	Confident	201 Å²	201	66.5 Å²	66.5	79%	0.788	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	122.1	177.2	-171.1	-108	0	0	0	111	Y25	Y25-Y92 HydrophobicContact CE2-CD2 4.23Å; Y25-Y92 HydrophobicContact CE2-CG 4.48Å; Y25-Y92 AromaticContact CZ-CD2 3.87Å; Y25-Y92 WeakPolarHBondContact OH-CD2 3.24Å
93	G	69.1	Low	88.2	Confident	82 Å²	82	66.3 Å²	66.3	85%	0.845	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	1.2	-177.7	0	0	0	0	0	115	Y91	Y91-G93 PolarHBondContact O-N 2.96Å; Y91-G93 VanDerWaalsContact O-N 3.15Å
94	S	74.8	Confident	88.1	Confident	33 Å²	33	69 Å²	69	23%	0.231	36%	0.355	C	S	.	.			trans	-77	141.5	169.4	-172.8	0	0	0	0	110.9	Y91 Y96	Y91-S94 WeakPolarHBondContact O-CB 3.41Å; Y91-S94 PolarHBondContact O-N 2.89Å; S94-Y96 PolarHBondContact OG-N 3.06Å; S94-Y96 VanDerWaalsContact OG-N 3.16Å; S94-Y96 PolarHBondContact OG-O 2.84Å
95	S	75.7	Confident	88	Confident	121 Å²	121	70.9 Å²	70.9	85%	0.846	37%	0.367	S	S	*	.	S	Bend	trans	-95	1.9	170.2	54.4	0	0	0	0	113.1
96	Y	80.3	Confident	87.8	Confident	156 Å²	156	71 Å²	71	61%	0.612	37%	0.367	S	S	*	.	S	Bend	trans	-137.4	149.9	-173.7	55	-91	0	0	0	112.4	S94 D98	S94-Y96 PolarHBondContact OG-N 3.06Å; S94-Y96 VanDerWaalsContact OG-N 3.16Å; S94-Y96 PolarHBondContact OG-O 2.84Å; Y96-D98 HydrophobicContact CD2-CB 4.25Å; Y96-D98 HydrophobicContact CE2-CB 4.22Å
97	F	86.2	Confident	87.6	Confident	70 Å²	70	71.5 Å²	71.5	31%	0.307	38%	0.375	S	S	.	.			trans	-86.8	115.9	168.3	-63	-63.7	0	0	0	109.3	N27 I29 A88 R89 D90 W100	N27-F97 HydrophobicContact CB-CE1 3.99Å; N27-F97 HydrophobicContact CB-CZ 4.44Å; N27-F97 VanDerWaalsContact CG-CE1 3.47Å; N27-F97 WeakPolarHBondContact ND2-CE1 3.26Å; I29-F97 HydrophobicContact CD1-CD2 3.9Å; I29-F97 HydrophobicContact CD1-CE1 4.46Å; I29-F97 HydrophobicContact CD1-CE2 3.53Å; I29-F97 HydrophobicContact CD1-CG 4.48Å; I29-F97 HydrophobicContact CD1-CZ 3.86Å; A88-F97 HydrophobicContact CB-CB 4.14Å; A88-F97 HydrophobicContact CB-CD1 3.86Å; A88-F97 HydrophobicContact CB-CE1 4.48Å; A88-F97 HydrophobicContact CB-CG 3.93Å; R89-F97 CarbonylContact O-C 3.58Å; R89-F97 WeakPolarHBondContact O-CA 3.25Å; D90-F97 HydrophobicContact CB-CD1 3.82Å; D90-F97 HydrophobicContact CB-CE1 4.07Å; F97-W100 HydrophobicContact CB-CZ2 4.09Å; F97-W100 VanDerWaalsContact CB-NE1 3.33Å; F97-W100 HydrophobicContact CD2-CH2 4.33Å; F97-W100 AromaticContact CD2-CZ2 3.6Å; F97-W100 HydrophobicContact CD2-CZ2 3.6Å; F97-W100 HydrophobicContact CE2-CZ2 4.44Å; F97-W100 HydrophobicContact CG-CZ2 4.15Å
98	D	86.1	Confident	87.4	Confident	68 Å²	68	71.3 Å²	71.3	36%	0.364	37%	0.373	S	S	.	.			trans	-87.3	-17.3	-175.9	63.8	-7.3	0	0	0	113.3	R89 Y91 Y96	R89-D98 IonicContact CZ-OD1 3.71Å; R89-D98 IonicContact CZ-OD2 2.93Å; R89-D98 IonicContact NE-OD1 2.63Å; R89-D98 PolarHBondContact NE-OD1 3.03Å; R89-D98 IonicContact NE-OD2 3.41Å; R89-D98 PolarHBondContact NE-OD2 3.31Å; R89-D98 VanDerWaalsContact NH2-CG 3.28Å; R89-D98 IonicContact NH2-OD1 3.51Å; R89-D98 PolarHBondContact NH2-OD1 3.22Å; R89-D98 IonicContact NH2-OD2 3.59Å; R89-D98 PolarHBondContact NH2-OD2 2.78Å; R89-D98 PolarHBondContact O-N 3.11Å; R89-D98 VanDerWaalsContact O-N 3.12Å; R89-D98 VanDerWaalsContact O-OD1 3.12Å; Y91-D98 VanDerWaalsContact CE2-OD2 3.31Å; Y91-D98 WeakPolarHBondContact CE2-OD2 3.19Å; Y96-D98 HydrophobicContact CD2-CB 4.25Å; Y96-D98 HydrophobicContact CE2-CB 4.22Å
99	Y	88.6	Confident	87.1	Confident	95 Å²	95	73.5 Å²	73.5	37%	0.373	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	140.6	175.2	-177.4	-93.9	0	0	0	111.6	W26 A88 R89	W26-Y99 HydrophobicContact CZ3-CD1 4.2Å; A88-Y99 CarbonylContact C-O 3.59Å; A88-Y99 WeakPolarHBondContact CA-O 3.35Å; A88-Y99 WeakPolarHBondContact CB-O 3.12Å; R89-Y99 PolarHBondContact N-O 2.95Å
100	W	93.6	Very high	86.3	Confident	93 Å²	93	79 Å²	79	35%	0.352	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135.5	173.5	-70.2	74.8	0	0	0	110.1	I29 L37 Y86 C87 A88 F97	I29-W100 HydrophobicContact CB-CH2 4.43Å; I29-W100 HydrophobicContact CB-CZ3 4.15Å; I29-W100 HydrophobicContact CD1-CE3 4.48Å; I29-W100 HydrophobicContact CD1-CH2 3.29Å; I29-W100 HydrophobicContact CD1-CZ2 3.92Å; I29-W100 HydrophobicContact CD1-CZ3 3.62Å; I29-W100 HydrophobicContact CG1-CH2 4.43Å; I29-W100 HydrophobicContact CG1-CZ3 4.47Å; I29-W100 HydrophobicContact CG2-CH2 4.14Å; I29-W100 HydrophobicContact CG2-CZ3 4.09Å; L37-W100 HydrophobicContact CD1-CH2 4.33Å; Y86-W100 HydrophobicContact CD1-CE3 4.34Å; Y86-W100 HydrophobicContact CD2-CZ3 4.5Å; Y86-W100 HydrophobicContact CG-CE3 4.07Å; Y86-W100 HydrophobicContact CG-CZ3 4.2Å; C87-W100 CarbonylContact O-C 3.52Å; C87-W100 WeakPolarHBondContact O-CA 3.45Å; A88-W100 HydrophobicContact CB-CD2 4.03Å; A88-W100 HydrophobicContact CB-CE3 4.22Å; A88-W100 HydrophobicContact CB-CG 4.42Å; F97-W100 HydrophobicContact CB-CZ2 4.09Å; F97-W100 VanDerWaalsContact CB-NE1 3.33Å; F97-W100 HydrophobicContact CD2-CH2 4.33Å; F97-W100 AromaticContact CD2-CZ2 3.6Å; F97-W100 HydrophobicContact CD2-CZ2 3.6Å; F97-W100 HydrophobicContact CE2-CZ2 4.44Å; F97-W100 HydrophobicContact CG-CZ2 4.15Å
101	G	93.4	Very high	86.1	Confident	12 Å²	12	81.5 Å²	81.5	12%	0.124	45%	0.447	C	S	.	.			trans	-69.2	164.3	166.8	0	0	0	0	0	111.6	Y86 C87 G103	Y86-G101 WeakPolarHBondContact CD1-O 3.49Å; C87-G101 PolarHBondContact O-N 3.04Å; G101-G103 PolarHBondContact O-N 3.44Å; G101-G103 VanDerWaalsContact O-N 3.15Å
102	Q	93.6	Very high	86.2	Confident	187 Å²	187	80.9 Å²	80.9	87%	0.874	45%	0.451	S	S	*	.			trans	-63.6	-20.2	179.2	-65.3	-62.8	-48.4	0	0	113.6
103	G	94.3	Very high	87.1	Confident	28 Å²	28	74.3 Å²	74.3	29%	0.289	43%	0.433	S	S	.	.			trans	84.1	151.1	-179.2	0	0	0	0	0	113.4	Y85 Y86 G101	Y85-G103 CarbonylContact O-C 3.52Å; Y85-G103 WeakPolarHBondContact O-CA 3.49Å; Y86-G103 VanDerWaalsContact CD1-CA 3.44Å; G101-G103 PolarHBondContact O-N 3.44Å; G101-G103 VanDerWaalsContact O-N 3.15Å
104	T	95.3	Very high	88.2	Confident	62 Å²	62	73.8 Å²	73.8	38%	0.38	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	116.1	176.7	-61	0	0	0	0	109.3	L12 T84 Y85 L106	L12-T104 HydrophobicContact CD2-CG2 4.13Å; T84-T104 WeakPolarHBondContact CA-O 3.4Å; Y85-T104 PolarHBondContact N-O 3.36Å; Y85-T104 PolarHBondContact O-N 3.28Å; T104-L106 HydrophobicContact CG2-CD2 4Å; T104-L106 HydrophobicContact CG2-CG 4.38Å
105	T	95.4	Very high	89	Confident	61 Å²	61	76.4 Å²	76.4	37%	0.374	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	127.6	177	-52	0	0	0	0	111	P1 S2 T84	P1-T105 CarbonylContact C-O 3.58Å; P1-T105 WeakPolarHBondContact CA-O 3.4Å; P1-T105 HydrophobicContact CB-CG2 4.42Å; S2-T105 PolarHBondContact N-O 3.5Å; T84-T105 PolarHBondContact OG1-OG1 2.86Å
106	L	93.1	Very high	89.9	Confident	6 Å²	6	73.4 Å²	73.4	3%	0.031	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	139.9	178	-58.8	178.5	0	0	0	110.3	S2 L10 L12 G83 Y85 T104	S2-L106 WeakPolarHBondContact O-CA 3.29Å; L10-L106 HydrophobicContact CD1-CD1 3.39Å; L10-L106 HydrophobicContact CD1-CD2 4.39Å; L10-L106 HydrophobicContact CD2-CD1 3.14Å; L10-L106 HydrophobicContact CG-CD1 3.84Å; L12-L106 HydrophobicContact CD1-CD1 4.07Å; L12-L106 HydrophobicContact CD2-CD1 4.12Å; L12-L106 HydrophobicContact CG-CD1 4.36Å; G83-L106 PolarHBondContact N-O 2.99Å; G83-L106 PolarHBondContact O-N 2.58Å; Y85-L106 HydrophobicContact CD2-CB 4.36Å; Y85-L106 HydrophobicContact CD2-CD1 3.75Å; Y85-L106 HydrophobicContact CD2-CG 4.1Å; Y85-L106 HydrophobicContact CE2-CB 4.16Å; Y85-L106 HydrophobicContact CE2-CD1 3.79Å; Y85-L106 HydrophobicContact CE2-CG 4.29Å; T104-L106 HydrophobicContact CG2-CD2 4Å; T104-L106 HydrophobicContact CG2-CG 4.38Å
107	T	93.4	Very high	90.6	Very high	53 Å²	53	67.5 Å²	67.5	33%	0.325	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124.6	175.6	-56.2	0	0	0	0	108.8	S2 L3 V4 T82	S2-T107 PolarHBondContact O-N 3.43Å; L3-T107 WeakPolarHBondContact CA-O 3.32Å; L3-T107 HydrophobicContact CD1-CG2 4.13Å; L3-T107 WeakPolarHBondContact CD1-O 3.19Å; V4-T107 PolarHBondContact N-O 2.87Å; T82-T107 HydrophobicContact CG2-CG2 4.45Å
108	V	91.3	Very high	90.9	Very high	10 Å²	10	67.3 Å²	67.3	6%	0.061	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	109.7	175.7	-175.6	0	0	0	0	108.3	V4 P6 V77 I78 D81 T82	V4-V108 VanDerWaalsContact O-CA 3.31Å; V4-V108 WeakPolarHBondContact O-CA 3.13Å; P6-V108 HydrophobicContact CG-CG1 4.21Å; V77-V108 HydrophobicContact CB-CG2 4.22Å; V77-V108 HydrophobicContact CG2-CG1 4.05Å; V77-V108 HydrophobicContact CG2-CG2 4.21Å; I78-V108 WeakPolarHBondContact O-CB 3.34Å; I78-V108 WeakPolarHBondContact O-CG1 3.44Å; D81-V108 HydrophobicContact CB-CG2 4.48Å; T82-V108 PolarHBondContact OG1-N 2.75Å
109	S	88.1	Confident	91.3	Very high	47 Å²	47	67.3 Å²	67.3	33%	0.329	38%	0.382	S	S	.	.			trans	-145	153.4	178	70.8	0	0	0	0	111.3	L3 V4	L3-S109 WeakPolarHBondContact CD1-OG 3.37Å; V4-S109 PolarHBondContact O-N 2.92Å
110	S	75.7	Confident	91.6	Very high	153 Å²	153	64.7 Å²	64.7	100%	1.07	38%	0.383	S	S	*	.			trans	-76.5	0	174	58.6	0	0	0	0	112.3

Retrieved 110 of 110 residues in 36.1 ms (Link to these results)

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