X5J5N7_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5N7, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 aa.

						>X5J5N7_MOUSE|X5J5N7
PSLVRPSQTLSLTCSVSGDSITSGYWNWILQFPGNKLEWMGYINYSGSTSYNPSLKSRISITRDTSKNQFFLQLNSVTPEDTGTYYCARDYYGSSYFDYWGQGTTLTVSS
					

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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	64.4	Low	88.7	Confident	136 Å²	136	85.3 Å²	85.3	88%	0.883	49%	0.488	S	S	*	.				0	121.1	0	-3.8	24.3	0	0	0	110.3	T105	P1-T105 CarbonylContact C-O 3.51Å; P1-T105 WeakPolarHBondContact CA-O 3.18Å; P1-T105 HydrophobicContact CB-CG2 4.3Å
2	S	83.4	Confident	89.4	Confident	69 Å²	69	79.5 Å²	79.5	48%	0.483	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	134.8	175.6	-49.7	0	0	0	0	110	T105 L106 T107	S2-T105 PolarHBondContact N-O 2.82Å; S2-L106 WeakPolarHBondContact O-CA 3.14Å; S2-T107 PolarHBondContact O-N 2.93Å
3	L	87.3	Confident	90	Very high	126 Å²	126	79.1 Å²	79.1	66%	0.66	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	128.4	179.4	-177.8	67.1	0	0	0	110.2	T107 S109	L3-T107 WeakPolarHBondContact CA-O 3.4Å; L3-T107 HydrophobicContact CD1-CG2 4.38Å; L3-S109 VanDerWaalsContact CD1-OG 3.28Å; L3-S109 WeakPolarHBondContact CD1-OG 3.28Å
4	V	89.3	Confident	90.5	Very high	20 Å²	20	74.1 Å²	74.1	12%	0.121	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	142.5	-179.8	-173	0	0	0	0	109	Q8 V77 T107 V108 S109	V4-Q8 HydrophobicContact CG1-CB 4.11Å; V4-V77 HydrophobicContact CG1-CG2 3.95Å; V4-T107 PolarHBondContact N-O 2.76Å; V4-V108 HydrophobicContact CB-CG2 4.44Å; V4-V108 WeakPolarHBondContact O-CA 3.39Å; V4-S109 PolarHBondContact O-N 2.58Å
5	R	90.6	Very high	90.8	Very high	171 Å²	171	73.9 Å²	73.9	65%	0.645	43%	0.431	S	S	*	.			trans	-85	150.2	176.7	-67.8	-178.8	175.4	168	-0.5	110.8	Q8 V77	R5-Q8 HydrophobicContact CB-CG 4.16Å; R5-Q8 WeakPolarHBondContact O-CB 3.47Å; R5-Q8 WeakPolarHBondContact O-CG 3.34Å; R5-Q8 PolarHBondContact O-N 3.47Å; R5-V77 WeakPolarHBondContact O-CG2 3.45Å
6	P	92.8	Very high	90.9	Very high	49 Å²	49	70.2 Å²	70.2	32%	0.318	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	153.8	173.6	-25.4	34.1	0	0	0	113	Q8 V77 V108	P6-Q8 PolarHBondContact O-N 3.22Å; P6-Q8 VanDerWaalsContact O-N 3.09Å; P6-V77 CarbonylContact C-O 3.57Å; P6-V77 WeakPolarHBondContact CA-O 3.2Å; P6-V108 HydrophobicContact CG-CG1 4.2Å
7	S	91.8	Very high	91	Very high	99 Å²	99	71.5 Å²	71.5	69%	0.692	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	1.6	-179.9	-52.4	0	0	0	0	115.5	V77	S7-V77 PolarHBondContact N-O 3.44Å
8	Q	92.5	Very high	90.8	Very high	93 Å²	93	72.8 Å²	72.8	44%	0.435	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-77	162.4	172.2	-65.8	-172.1	-42.5	0	0	111.5	V4 R5 P6 S76 V77	V4-Q8 HydrophobicContact CG1-CB 4.11Å; R5-Q8 HydrophobicContact CB-CG 4.16Å; R5-Q8 WeakPolarHBondContact O-CB 3.47Å; R5-Q8 WeakPolarHBondContact O-CG 3.34Å; R5-Q8 PolarHBondContact O-N 3.47Å; P6-Q8 PolarHBondContact O-N 3.22Å; P6-Q8 VanDerWaalsContact O-N 3.09Å; Q8-S76 PolarHBondContact O-N 3.06Å; Q8-V77 HydrophobicContact CB-CG2 4.42Å; Q8-V77 WeakPolarHBondContact O-CG2 2.95Å; Q8-V77 PolarHBondContact O-N 3.31Å; Q8-V77 VanDerWaalsContact O-N 3.09Å
9	T	94.3	Very high	90.5	Very high	75 Å²	75	71.5 Å²	71.5	46%	0.46	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-92	124.2	167.7	-65.4	0	0	0	0	109.2	Q73 L74 N75	T9-Q73 HydrophobicContact CG2-CG 3.48Å; T9-Q73 VanDerWaalsContact CG2-CG 3.48Å; T9-L74 WeakPolarHBondContact CA-O 3.4Å; T9-N75 WeakPolarHBondContact CG2-OD1 3.21Å; T9-N75 PolarHBondContact OG1-OD1 2.94Å
10	L	93.7	Very high	90.5	Very high	17 Å²	17	70.2 Å²	70.2	9%	0.089	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	134.7	169.5	172	65.7	0	0	0	109.4	L12 Q73 L74 V77 Y85 L106	L10-L12 HydrophobicContact CD1-CD2 4.13Å; L10-L12 HydrophobicContact CD1-CG 4.14Å; L10-L12 HydrophobicContact CD2-CD1 4.11Å; L10-L12 HydrophobicContact CD2-CG 4.2Å; L10-L12 HydrophobicContact CG-CG 4.09Å; L10-Q73 CarbonylContact O-C 3.53Å; L10-Q73 WeakPolarHBondContact O-CA 3.44Å; L10-L74 HydrophobicContact CB-CB 4.35Å; L10-L74 HydrophobicContact CD2-CD2 4.48Å; L10-L74 PolarHBondContact N-O 2.89Å; L10-L74 PolarHBondContact O-N 2.8Å; L10-V77 HydrophobicContact CB-CG1 3.82Å; L10-Y85 HydrophobicContact CD2-CE1 4.35Å; L10-Y85 HydrophobicContact CD2-CE2 4.25Å; L10-L106 HydrophobicContact CD1-CD1 3.38Å; L10-L106 HydrophobicContact CD2-CD1 3.19Å; L10-L106 HydrophobicContact CG-CD1 3.88Å
11	S	95.6	Very high	90.6	Very high	83 Å²	83	67 Å²	67	58%	0.58	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.4	123.6	170.4	-172.2	0	0	0	0	109.3	L72	S11-L72 CarbonylContact C-O 3.6Å; S11-L72 WeakPolarHBondContact CA-O 3.05Å
12	L	97.1	Very high	91.9	Very high	16 Å²	16	63.6 Å²	63.6	8%	0.084	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.9	177.6	-68.5	178.2	0	0	0	110.3	L10 W28 F71 L72 Y85 T104 L106	L10-L12 HydrophobicContact CD1-CD2 4.13Å; L10-L12 HydrophobicContact CD1-CG 4.14Å; L10-L12 HydrophobicContact CD2-CD1 4.11Å; L10-L12 HydrophobicContact CD2-CG 4.2Å; L10-L12 HydrophobicContact CG-CG 4.09Å; L12-W28 HydrophobicContact CB-CH2 3.58Å; L12-W28 HydrophobicContact CB-CZ2 4.14Å; L12-W28 HydrophobicContact CB-CZ3 4.01Å; L12-W28 HydrophobicContact CD1-CH2 4.42Å; L12-W28 HydrophobicContact CD1-CZ3 3.99Å; L12-F71 CarbonylContact O-C 3.56Å; L12-F71 WeakPolarHBondContact O-CA 3.39Å; L12-L72 HydrophobicContact CB-CB 4.37Å; L12-L72 HydrophobicContact CD1-CD2 4.38Å; L12-L72 PolarHBondContact N-O 2.91Å; L12-L72 PolarHBondContact O-N 2.63Å; L12-Y85 VanDerWaalsContact CD1-CB 3.47Å; L12-Y85 HydrophobicContact CD1-CD1 3.75Å; L12-Y85 HydrophobicContact CD1-CD2 4.09Å; L12-Y85 HydrophobicContact CD1-CE1 4.47Å; L12-Y85 HydrophobicContact CD1-CG 3.5Å; L12-T104 HydrophobicContact CD2-CG2 4.28Å; L12-L106 HydrophobicContact CD1-CD1 4.25Å; L12-L106 HydrophobicContact CD2-CD1 4.18Å
13	T	97.3	Very high	92.1	Very high	74 Å²	74	62.1 Å²	62.1	45%	0.454	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	133.4	177.8	-56.4	0	0	0	0	109.1	Q69 F71	T13-Q69 HydrophobicContact CG2-CB 4.38Å; T13-Q69 HydrophobicContact CG2-CG 4.1Å; T13-F71 HydrophobicContact CG2-CD1 3.84Å; T13-F71 HydrophobicContact CG2-CE1 3.49Å; T13-F71 VanDerWaalsContact CG2-CE1 3.49Å; T13-F71 HydrophobicContact CG2-CZ 4.37Å; T13-F71 VanDerWaalsContact OG1-CD1 3.31Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.36Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.18Å
14	C	96.4	Very high	92.2	Very high	9 Å²	9	56.2 Å²	56.2	6%	0.061	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121	163.8	-176	0	0	0	0	109.4	W28 Q69 F70 C87	C14-W28 HydrophobicContact CB-CH2 4.03Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; C14-Q69 WeakPolarHBondContact O-CA 3.28Å; C14-F70 HydrophobicContact CB-CD1 3.93Å; C14-F70 HydrophobicContact CB-CE1 3.45Å; C14-F70 VanDerWaalsContact CB-CE1 3.45Å; C14-F70 HydrophobicContact CB-CE2 4.39Å; C14-F70 HydrophobicContact CB-CZ 3.74Å; C14-F70 PolarHBondContact N-O 2.86Å; C14-F70 PolarHBondContact O-N 3.14Å; C14-F70 VanDerWaalsContact SG-CE1 3.54Å; C14-C87 HydrophobicContact CB-CB 3.5Å; C14-C87 VanDerWaalsContact CB-CB 3.5Å; C14-C87 WeakPolarHBondContact CB-SG 3.45Å; C14-C87 WeakPolarHBondContact SG-CB 3.42Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 3.01Å
15	S	95.8	Very high	92.4	Very high	71 Å²	71	56.5 Å²	56.5	50%	0.497	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.7	174.4	-57.8	0	0	0	0	109.1	Q69	S15-Q69 PolarHBondContact OG-NE2 3.02Å
16	V	92.8	Very high	92.6	Very high	15 Å²	15	48.5 Å²	48.5	9%	0.091	32%	0.322	C	S	.	.			trans	-91.6	134.1	177.5	178.3	0	0	0	0	109.3	D19 I21 W26 N68 F70	V16-D19 HydrophobicContact CG1-CB 4.03Å; V16-D19 WeakPolarHBondContact CG1-O 3.42Å; V16-I21 HydrophobicContact CB-CG2 3.91Å; V16-I21 HydrophobicContact CG2-CG2 3.62Å; V16-W26 HydrophobicContact CB-CH2 4.18Å; V16-W26 HydrophobicContact CB-CZ2 4.36Å; V16-W26 HydrophobicContact CG1-CH2 3.5Å; V16-W26 HydrophobicContact CG1-CZ2 3.66Å; V16-W26 HydrophobicContact CG1-CZ3 4.39Å; V16-W26 HydrophobicContact CG2-CD2 4.18Å; V16-W26 HydrophobicContact CG2-CE3 3.96Å; V16-W26 HydrophobicContact CG2-CH2 3.51Å; V16-W26 HydrophobicContact CG2-CZ2 3.77Å; V16-W26 HydrophobicContact CG2-CZ3 3.62Å; V16-N68 PolarHBondContact N-O 3.26Å; V16-N68 PolarHBondContact O-ND2 3.1Å; V16-F70 HydrophobicContact CG2-CD1 4.32Å; V16-F70 HydrophobicContact CG2-CE1 4.2Å
17	S	91.3	Very high	92.8	Very high	93 Å²	93	46.3 Å²	46.3	65%	0.65	31%	0.308	S	S	*	.			trans	-130.6	136.4	179.1	58.3	0	0	0	0	109.9	D19	S17-D19 PolarHBondContact O-N 2.87Å
18	G	87.7	Confident	93.1	Very high	95 Å²	95	42 Å²	42	98%	0.979	28%	0.276	S	S	*	.	S	Bend	trans	79	0.4	-178.3	0	0	0	0	0	114.8
19	D	86.3	Confident	93.3	Very high	48 Å²	48	37.8 Å²	37.8	26%	0.257	26%	0.257	S	S	.	.	S	Bend	trans	-150	174.6	174.4	-170.9	23	0	0	0	110	V16 S17 S23 N68 R89	V16-D19 HydrophobicContact CG1-CB 4.03Å; V16-D19 WeakPolarHBondContact CG1-O 3.42Å; S17-D19 PolarHBondContact O-N 2.87Å; D19-S23 WeakPolarHBondContact OD1-CB 3.45Å; D19-S23 PolarHBondContact OD1-OG 3.39Å; D19-S23 PolarHBondContact OD2-OG 3.11Å; D19-N68 PolarHBondContact O-ND2 2.79Å; D19-R89 VanDerWaalsContact CG-NH1 3.31Å; D19-R89 IonicContact OD2-CZ 2.85Å; D19-R89 IonicContact OD2-NH1 3.61Å; D19-R89 PolarHBondContact OD2-NH1 2.83Å
20	S	90.4	Very high	93.4	Very high	45 Å²	45	34.2 Å²	34.2	32%	0.315	24%	0.235	S	C	.	.			trans	-103.1	142	174.4	179.6	0	0	0	0	112.2	T22 S23 N68	S20-T22 PolarHBondContact O-N 3.45Å; S20-T22 PolarHBondContact OG-N 2.91Å; S20-T22 VanDerWaalsContact OG-N 3.12Å; S20-T22 PolarHBondContact OG-OG1 3.16Å; S20-S23 VanDerWaalsContact O-CB 3.29Å; S20-S23 WeakPolarHBondContact O-CB 3.2Å; S20-S23 PolarHBondContact O-N 3.12Å; S20-S23 PolarHBondContact O-OG 2.95Å; S20-N68 WeakPolarHBondContact CA-OD1 3.43Å
21	I	92	Very high	93.6	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.015	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-12.6	170.5	68.6	166.9	0	0	0	113.3	V16 W26 R63 T65 N68 Q69	V16-I21 HydrophobicContact CB-CG2 3.91Å; V16-I21 HydrophobicContact CG2-CG2 3.62Å; I21-W26 VanDerWaalsContact CA-NE1 3.32Å; I21-W26 PolarHBondContact O-NE1 3.45Å; I21-R63 HydrophobicContact CD1-CB 3.76Å; I21-R63 HydrophobicContact CD1-CG 4.14Å; I21-T65 HydrophobicContact CD1-CG2 3.78Å; I21-T65 HydrophobicContact CG1-CG2 4.03Å; I21-N68 WeakPolarHBondContact CG2-O 3.35Å; I21-N68 WeakPolarHBondContact CG2-OD1 3.15Å; I21-N68 PolarHBondContact N-OD1 2.86Å; I21-Q69 WeakPolarHBondContact CD1-O 3.46Å
22	T	91.4	Very high	93.6	Very high	65 Å²	65	33.4 Å²	33.4	40%	0.399	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	9.3	176.5	68.2	0	0	0	0	113.2	S20 Y45 T65	S20-T22 PolarHBondContact O-N 3.45Å; S20-T22 PolarHBondContact OG-N 2.91Å; S20-T22 VanDerWaalsContact OG-N 3.12Å; S20-T22 PolarHBondContact OG-OG1 3.16Å; T22-Y45 WeakPolarHBondContact O-CB 3.26Å; T22-T65 HydrophobicContact CG2-CG2 3.65Å
23	S	87.7	Confident	93.4	Very high	37 Å²	37	37.5 Å²	37.5	26%	0.259	25%	0.249	S	C	.	.	S	Bend	trans	-83.7	-23.4	-178.6	69.1	0	0	0	0	113.4	D19 S20 Y91	D19-S23 WeakPolarHBondContact OD1-CB 3.45Å; D19-S23 PolarHBondContact OD1-OG 3.39Å; D19-S23 PolarHBondContact OD2-OG 3.11Å; S20-S23 VanDerWaalsContact O-CB 3.29Å; S20-S23 WeakPolarHBondContact O-CB 3.2Å; S20-S23 PolarHBondContact O-N 3.12Å; S20-S23 PolarHBondContact O-OG 2.95Å; S23-Y91 WeakPolarHBondContact O-CE1 3.44Å
24	G	89.6	Confident	93.1	Very high	2 Å²	2	37.5 Å²	37.5	2%	0.021	26%	0.263	C	S	.	.	S	Bend	trans	-167.1	-141.9	-170	0	0	0	0	0	113.9	N44 Y45	G24-N44 CarbonylContact O-C 3.59Å; G24-Y45 PolarHBondContact O-N 2.79Å
25	Y	94	Very high	92.8	Very high	26 Å²	26	43.1 Å²	43.1	10%	0.102	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.9	-178	-67.8	-109.6	0	0	0	108.3	N27 Y42 N44 Y45 R89 D90 Y92	Y25-N27 PolarHBondContact O-ND2 3.05Å; Y25-Y42 HydrophobicContact CD1-CD1 4.42Å; Y25-Y42 AromaticContact CD1-CD2 3.72Å; Y25-Y42 HydrophobicContact CD1-CD2 3.72Å; Y25-Y42 HydrophobicContact CD1-CE1 4.36Å; Y25-Y42 AromaticContact CD1-CE2 3.64Å; Y25-Y42 HydrophobicContact CD1-CE2 3.64Å; Y25-Y42 HydrophobicContact CD1-CG 4.18Å; Y25-Y42 AromaticContact CD1-CZ 3.99Å; Y25-Y42 HydrophobicContact CE1-CD2 4.4Å; Y25-Y42 AromaticContact CE1-CE2 3.86Å; Y25-Y42 HydrophobicContact CE1-CE2 3.86Å; Y25-N44 HydrophobicContact CD1-CB 3.58Å; Y25-N44 HydrophobicContact CE1-CB 3.52Å; Y25-N44 HydrophobicContact CE2-CB 4.48Å; Y25-N44 HydrophobicContact CG-CB 4.13Å; Y25-Y45 HydrophobicContact CE2-CD1 4.31Å; Y25-Y45 HydrophobicContact CE2-CE1 4.26Å; Y25-R89 WeakPolarHBondContact O-CA 3.37Å; Y25-D90 WeakPolarHBondContact CB-OD1 3.46Å; Y25-D90 PolarHBondContact N-O 2.85Å; Y25-D90 PolarHBondContact O-N 2.9Å; Y25-Y92 HydrophobicContact CE2-CD2 4.42Å; Y25-Y92 AromaticContact CZ-CD2 3.97Å; Y25-Y92 VanDerWaalsContact OH-CD2 3.28Å; Y25-Y92 WeakPolarHBondContact OH-CD2 3.31Å
26	W	95.3	Very high	92.8	Very high	3 Å²	3	46.2 Å²	46.2	1%	0.011	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119.1	-177.2	-68.9	95.7	0	0	0	109.4	V16 I21 Y42 I43 F70 R89 Y99	V16-W26 HydrophobicContact CB-CH2 4.18Å; V16-W26 HydrophobicContact CB-CZ2 4.36Å; V16-W26 HydrophobicContact CG1-CH2 3.5Å; V16-W26 HydrophobicContact CG1-CZ2 3.66Å; V16-W26 HydrophobicContact CG1-CZ3 4.39Å; V16-W26 HydrophobicContact CG2-CD2 4.18Å; V16-W26 HydrophobicContact CG2-CE3 3.96Å; V16-W26 HydrophobicContact CG2-CH2 3.51Å; V16-W26 HydrophobicContact CG2-CZ2 3.77Å; V16-W26 HydrophobicContact CG2-CZ3 3.62Å; I21-W26 VanDerWaalsContact CA-NE1 3.32Å; I21-W26 PolarHBondContact O-NE1 3.45Å; W26-Y42 CarbonylContact O-C 3.53Å; W26-Y42 WeakPolarHBondContact O-CA 3.48Å; W26-Y42 WeakPolarHBondContact O-CB 3.19Å; W26-I43 HydrophobicContact CB-CG2 4.3Å; W26-I43 PolarHBondContact N-O 3.39Å; W26-I43 PolarHBondContact O-N 3.36Å; W26-F70 HydrophobicContact CB-CD1 4.09Å; W26-F70 HydrophobicContact CB-CD2 4.1Å; W26-F70 HydrophobicContact CB-CE1 3.86Å; W26-F70 HydrophobicContact CB-CE2 3.89Å; W26-F70 HydrophobicContact CB-CG 4.18Å; W26-F70 HydrophobicContact CB-CZ 3.73Å; W26-F70 HydrophobicContact CD2-CD1 4.49Å; W26-F70 HydrophobicContact CD2-CE1 4Å; W26-F70 HydrophobicContact CD2-CZ 4.47Å; W26-F70 AromaticContact CE3-CE1 3.63Å; W26-F70 HydrophobicContact CE3-CE1 3.63Å; W26-F70 HydrophobicContact CE3-CZ 4.01Å; W26-F70 HydrophobicContact CG-CD1 4.33Å; W26-F70 HydrophobicContact CG-CE1 4.12Å; W26-F70 HydrophobicContact CG-CZ 4.42Å; W26-F70 HydrophobicContact CZ3-CE1 4.48Å; W26-R89 HydrophobicContact CD2-CB 4.43Å; W26-R89 HydrophobicContact CD2-CG 4.31Å; W26-R89 HydrophobicContact CE3-CB 3.96Å; W26-R89 HydrophobicContact CE3-CG 4.32Å; W26-R89 HydrophobicContact CH2-CB 3.89Å; W26-R89 HydrophobicContact CH2-CG 3.96Å; W26-R89 HydrophobicContact CZ2-CB 4.33Å; W26-R89 HydrophobicContact CZ2-CG 3.91Å; W26-R89 HydrophobicContact CZ3-CB 3.68Å; W26-R89 HydrophobicContact CZ3-CG 4.17Å; W26-Y99 HydrophobicContact CZ3-CD1 4.19Å
27	N	96.3	Very high	92.9	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.016	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	148.4	-166.2	-63.8	-97	0	0	0	110.5	Y25 W39 G41 Y42 C87 A88 D90 F97	Y25-N27 PolarHBondContact O-ND2 3.05Å; N27-W39 PolarHBondContact OD1-NE1 3.17Å; N27-G41 WeakPolarHBondContact CA-O 3.4Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.45Å; N27-C87 CarbonylContact O-C 3.52Å; N27-C87 VanDerWaalsContact O-CA 3.28Å; N27-C87 WeakPolarHBondContact O-CA 3.28Å; N27-A88 HydrophobicContact CB-CB 4.45Å; N27-A88 PolarHBondContact N-O 3.12Å; N27-A88 PolarHBondContact ND2-O 2.84Å; N27-A88 PolarHBondContact O-N 3.21Å; N27-D90 PolarHBondContact ND2-OD1 3.08Å; N27-F97 HydrophobicContact CB-CE1 4.01Å; N27-F97 HydrophobicContact CB-CZ 4.46Å; N27-F97 VanDerWaalsContact CG-CE1 3.5Å; N27-F97 WeakPolarHBondContact ND2-CE1 3.41Å
28	W	97.6	Very high	93.1	Very high	8 Å²	8	47.5 Å²	47.5	3%	0.03	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.7	164.4	-76.9	100.7	0	0	0	110	L12 C14 M40 G41 F70 L72 Y86	L12-W28 HydrophobicContact CB-CH2 3.58Å; L12-W28 HydrophobicContact CB-CZ2 4.14Å; L12-W28 HydrophobicContact CB-CZ3 4.01Å; L12-W28 HydrophobicContact CD1-CH2 4.42Å; L12-W28 HydrophobicContact CD1-CZ3 3.99Å; C14-W28 HydrophobicContact CB-CH2 4.03Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; W28-M40 HydrophobicContact CB-CB 4.16Å; W28-M40 HydrophobicContact CB-SD 4.38Å; W28-M40 WeakPolarHBondContact O-CB 3.42Å; W28-M40 PolarHBondContact O-N 2.89Å; W28-G41 PolarHBondContact N-O 2.84Å; W28-F70 AromaticContact CD1-CE2 3.68Å; W28-F70 HydrophobicContact CD2-CE2 4.32Å; W28-F70 AromaticContact CE2-CE2 3.66Å; W28-F70 HydrophobicContact CG-CE2 4.34Å; W28-F70 HydrophobicContact CZ2-CD2 4.41Å; W28-F70 HydrophobicContact CZ2-CE2 4.18Å; W28-F70 AromaticContact NE1-CD2 3.3Å; W28-F70 VanDerWaalsContact NE1-CD2 3.3Å; W28-F70 AromaticContact NE1-CE2 3.22Å; W28-L72 HydrophobicContact CB-CD2 4.21Å; W28-L72 HydrophobicContact CD2-CB 3.65Å; W28-L72 HydrophobicContact CD2-CD2 3.97Å; W28-L72 HydrophobicContact CD2-CG 4.39Å; W28-L72 VanDerWaalsContact CE2-CB 3.41Å; W28-L72 HydrophobicContact CE3-CB 4.32Å; W28-L72 HydrophobicContact CE3-CD2 4.11Å; W28-L72 HydrophobicContact CG-CB 3.84Å; W28-L72 HydrophobicContact CG-CD1 4.42Å; W28-L72 HydrophobicContact CG-CD2 4.02Å; W28-L72 HydrophobicContact CG-CG 4.32Å; W28-L72 HydrophobicContact CZ2-CB 3.91Å; W28-Y86 WeakPolarHBondContact CA-O 3.29Å
29	I	97.3	Very high	93.5	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	126.9	-177.2	-57.3	170.9	0	0	0	108.2	L37 E38 Y85 Y86 A88 F97 W100	I29-L37 HydrophobicContact CG2-CB 4.24Å; I29-L37 HydrophobicContact CG2-CD2 4.01Å; I29-E38 CarbonylContact C-O 3.57Å; I29-E38 WeakPolarHBondContact CA-O 3.5Å; I29-Y85 CarbonylContact O-C 3.6Å; I29-Y85 WeakPolarHBondContact O-CA 3.23Å; I29-Y86 PolarHBondContact N-O 3.32Å; I29-Y86 PolarHBondContact O-N 2.64Å; I29-A88 HydrophobicContact CD1-CB 3.72Å; I29-F97 HydrophobicContact CD1-CD2 3.87Å; I29-F97 HydrophobicContact CD1-CE2 3.51Å; I29-F97 HydrophobicContact CD1-CG 4.49Å; I29-F97 HydrophobicContact CD1-CZ 3.88Å; I29-W100 HydrophobicContact CB-CZ3 4.25Å; I29-W100 HydrophobicContact CD1-CE3 4.41Å; I29-W100 HydrophobicContact CD1-CH2 3.32Å; I29-W100 HydrophobicContact CD1-CZ2 4Å; I29-W100 HydrophobicContact CD1-CZ3 3.57Å; I29-W100 HydrophobicContact CG1-CZ3 4.5Å; I29-W100 HydrophobicContact CG2-CH2 4.24Å; I29-W100 HydrophobicContact CG2-CZ3 4.17Å
30	L	96.9	Very high	94.1	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	127.5	172.7	177.3	55.8	0	0	0	109.4	F32 L37 E38 M40 Y85	L30-F32 HydrophobicContact CD2-CD1 4.22Å; L30-F32 HydrophobicContact CD2-CE1 3.5Å; L30-F32 HydrophobicContact CD2-CE2 4.27Å; L30-F32 HydrophobicContact CD2-CZ 3.55Å; L30-F32 HydrophobicContact CG-CD1 4.41Å; L30-F32 HydrophobicContact CG-CE1 4.11Å; L30-F32 HydrophobicContact CG-CE2 4.38Å; L30-F32 HydrophobicContact CG-CZ 4.1Å; L30-L37 CarbonylContact O-C 3.59Å; L30-L37 WeakPolarHBondContact O-CA 3.47Å; L30-E38 PolarHBondContact N-O 3.09Å; L30-E38 PolarHBondContact O-N 2.87Å; L30-M40 HydrophobicContact CB-CG 4.2Å; L30-M40 HydrophobicContact CB-SD 3.99Å; L30-Y85 HydrophobicContact CB-CE1 4.49Å; L30-Y85 HydrophobicContact CD1-CD1 4.15Å; L30-Y85 HydrophobicContact CD1-CD2 3.92Å; L30-Y85 HydrophobicContact CD1-CE1 3.93Å; L30-Y85 HydrophobicContact CD1-CE2 3.66Å; L30-Y85 HydrophobicContact CD1-CG 4.16Å; L30-Y85 HydrophobicContact CD2-CE1 4.45Å
31	Q	97.5	Very high	94.4	Very high	40 Å²	40	42.4 Å²	42.4	19%	0.187	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	113.4	167.9	-173	-179.8	40.4	0	0	109.6	N35 K36 L37 G83 T84 Y86	Q31-N35 PolarHBondContact NE2-OD1 2.79Å; Q31-K36 CarbonylContact C-O 3.55Å; Q31-K36 WeakPolarHBondContact CA-O 3.47Å; Q31-L37 HydrophobicContact CB-CD2 3.6Å; Q31-L37 HydrophobicContact CG-CD2 3.71Å; Q31-G83 CarbonylContact O-C 3.6Å; Q31-G83 WeakPolarHBondContact O-CA 3.17Å; Q31-T84 PolarHBondContact N-O 2.88Å; Q31-T84 PolarHBondContact O-N 3.03Å; Q31-Y86 HydrophobicContact CB-CD2 4.17Å; Q31-Y86 HydrophobicContact CB-CE2 3.61Å; Q31-Y86 HydrophobicContact CG-CE2 4.41Å; Q31-Y86 VanDerWaalsContact OE1-CE2 3.27Å; Q31-Y86 PolarHBondContact OE1-OH 3Å
32	F	96	Very high	94.6	Very high	42 Å²	42	45.3 Å²	45.3	18%	0.184	25%	0.246	C	C	.	.			trans	-74.4	159.1	175	-64	-76.3	0	0	0	111.6	L30 G34 N35 K36 E38 E80	L30-F32 HydrophobicContact CD2-CD1 4.22Å; L30-F32 HydrophobicContact CD2-CE1 3.5Å; L30-F32 HydrophobicContact CD2-CE2 4.27Å; L30-F32 HydrophobicContact CD2-CZ 3.55Å; L30-F32 HydrophobicContact CG-CD1 4.41Å; L30-F32 HydrophobicContact CG-CE1 4.11Å; L30-F32 HydrophobicContact CG-CE2 4.38Å; L30-F32 HydrophobicContact CG-CZ 4.1Å; F32-G34 PolarHBondContact O-N 2.87Å; F32-N35 PolarHBondContact O-N 2.93Å; F32-K36 HydrophobicContact CB-CB 4.41Å; F32-K36 HydrophobicContact CD2-CB 4.32Å; F32-K36 HydrophobicContact CD2-CD 4.2Å; F32-K36 HydrophobicContact CD2-CG 4.29Å; F32-K36 PolarHBondContact N-O 2.88Å; F32-E38 HydrophobicContact CE2-CB 3.66Å; F32-E38 WeakPolarHBondContact CE2-OE2 3.48Å; F32-E38 HydrophobicContact CZ-CB 4.42Å; F32-E38 VanDerWaalsContact CZ-OE2 3.26Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.44Å; F32-E80 WeakPolarHBondContact CE1-O 3.45Å
33	P	91.5	Very high	94.8	Very high	102 Å²	102	42.6 Å²	42.6	66%	0.662	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.9	131.3	162.2	-24.5	34.1	0	0	0	110.4	T82	P33-T82 WeakPolarHBondContact CD-O 3.48Å
34	G	92.7	Very high	95.1	Very high	74 Å²	74	41.5 Å²	41.5	76%	0.763	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.3	13.6	-172.5	0	0	0	0	0	115	F32 K36	F32-G34 PolarHBondContact O-N 2.87Å; G34-K36 VanDerWaalsContact C-N 3.26Å; G34-K36 PolarHBondContact O-N 2.82Å
35	N	90.1	Very high	95.2	Very high	127 Å²	127	47.2 Å²	47.2	68%	0.679	24%	0.242	S	C	*	.	S	Bend	trans	66.9	13.9	170.4	-57.7	-44.6	0	0	0	116.1	Q31 F32 L37	Q31-N35 PolarHBondContact NE2-OD1 2.79Å; F32-N35 PolarHBondContact O-N 2.93Å; N35-L37 PolarHBondContact O-N 2.9Å
36	K	94.9	Very high	95.2	Very high	137 Å²	137	49.2 Å²	49.2	60%	0.596	26%	0.261	S	S	*	.			trans	-70.9	127	170.4	-178.2	-172.9	173.8	-165.5	0	109.4	Q31 F32 G34	Q31-K36 CarbonylContact C-O 3.55Å; Q31-K36 WeakPolarHBondContact CA-O 3.47Å; F32-K36 HydrophobicContact CB-CB 4.41Å; F32-K36 HydrophobicContact CD2-CB 4.32Å; F32-K36 HydrophobicContact CD2-CD 4.2Å; F32-K36 HydrophobicContact CD2-CG 4.29Å; F32-K36 PolarHBondContact N-O 2.88Å; G34-K36 VanDerWaalsContact C-N 3.26Å; G34-K36 PolarHBondContact O-N 2.82Å
37	L	95.3	Very high	95.1	Very high	91 Å²	91	50.5 Å²	50.5	48%	0.476	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	138.9	174.2	-62.5	173	0	0	0	110.6	I29 L30 Q31 N35 W100	I29-L37 HydrophobicContact CG2-CB 4.24Å; I29-L37 HydrophobicContact CG2-CD2 4.01Å; L30-L37 CarbonylContact O-C 3.59Å; L30-L37 WeakPolarHBondContact O-CA 3.47Å; Q31-L37 HydrophobicContact CB-CD2 3.6Å; Q31-L37 HydrophobicContact CG-CD2 3.71Å; N35-L37 PolarHBondContact O-N 2.9Å; L37-W100 HydrophobicContact CD1-CH2 4.25Å
38	E	96	Very high	95.1	Very high	43 Å²	43	53.4 Å²	53.4	20%	0.201	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	121.9	170.5	177	165.4	-123.9	0	0	109.7	I29 L30 F32 N52	I29-E38 CarbonylContact C-O 3.57Å; I29-E38 WeakPolarHBondContact CA-O 3.5Å; L30-E38 PolarHBondContact N-O 3.09Å; L30-E38 PolarHBondContact O-N 2.87Å; F32-E38 HydrophobicContact CE2-CB 3.66Å; F32-E38 WeakPolarHBondContact CE2-OE2 3.48Å; F32-E38 HydrophobicContact CZ-CB 4.42Å; F32-E38 VanDerWaalsContact CZ-OE2 3.26Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.44Å; E38-N52 PolarHBondContact OE1-ND2 3.44Å
39	W	96.1	Very high	95.1	Very high	81 Å²	81	55.7 Å²	55.7	31%	0.307	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129.2	170.5	175.4	80.2	0	0	0	109.2	N27 G41 Y42 N52	N27-W39 PolarHBondContact OD1-NE1 3.17Å; W39-G41 VanDerWaalsContact CE2-CA 3.49Å; W39-G41 VanDerWaalsContact CZ2-C 3.49Å; W39-G41 PolarHBondContact NE1-O 2.85Å; W39-Y42 HydrophobicContact CH2-CD1 4.42Å; W39-Y42 AromaticContact CZ2-CD1 3.54Å; W39-Y42 HydrophobicContact CZ2-CD1 3.54Å; W39-Y42 HydrophobicContact CZ2-CE1 4.2Å; W39-Y42 HydrophobicContact CZ2-CG 4.31Å; W39-N52 HydrophobicContact CE3-CB 3.98Å; W39-N52 HydrophobicContact CZ3-CB 4.1Å; W39-N52 VanDerWaalsContact O-CB 3.26Å; W39-N52 WeakPolarHBondContact O-CB 3.43Å; W39-N52 PolarHBondContact O-ND2 3.22Å
40	M	97	Very high	95	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-40.2	-178.5	-57.7	-176.2	74.6	0	0	111.7	W28 L30 N52 L55 I59 L72 L74 Y85	W28-M40 HydrophobicContact CB-CB 4.16Å; W28-M40 HydrophobicContact CB-SD 4.38Å; W28-M40 WeakPolarHBondContact O-CB 3.42Å; W28-M40 PolarHBondContact O-N 2.89Å; L30-M40 HydrophobicContact CB-CG 4.2Å; L30-M40 HydrophobicContact CB-SD 3.99Å; M40-N52 WeakPolarHBondContact O-CB 3.43Å; M40-N52 PolarHBondContact O-N 2.92Å; M40-L55 HydrophobicContact CB-CD1 4.09Å; M40-L55 HydrophobicContact CE-CD1 4.04Å; M40-L55 HydrophobicContact CG-CD1 3.9Å; M40-I59 HydrophobicContact CE-CG2 4.04Å; M40-I59 WeakPolarHBondContact O-CD1 3.47Å; M40-L72 HydrophobicContact CE-CD1 4.41Å; M40-L72 HydrophobicContact CE-CD2 3.83Å; M40-L72 HydrophobicContact SD-CD2 3.74Å; M40-L74 HydrophobicContact CE-CD2 4.33Å; M40-Y85 HydrophobicContact CE-CE1 3.93Å; M40-Y85 HydrophobicContact SD-CD1 3.79Å; M40-Y85 HydrophobicContact SD-CE1 3.7Å
41	G	96.6	Very high	95	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.4	172.1	-174.3	0	0	0	0	0	112	N27 W28 W39 S50	N27-G41 WeakPolarHBondContact CA-O 3.4Å; W28-G41 PolarHBondContact N-O 2.84Å; W39-G41 VanDerWaalsContact CE2-CA 3.49Å; W39-G41 VanDerWaalsContact CZ2-C 3.49Å; W39-G41 PolarHBondContact NE1-O 2.85Å; G41-S50 CarbonylContact C-O 3.53Å; G41-S50 WeakPolarHBondContact CA-O 3.42Å
42	Y	96.3	Very high	95	Very high	64 Å²	64	59 Å²	59	25%	0.251	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	162.6	171.5	71.8	-113.7	0	0	0	112.5	Y25 W26 N27 W39 N44 T49 S50	Y25-Y42 HydrophobicContact CD1-CD1 4.42Å; Y25-Y42 AromaticContact CD1-CD2 3.72Å; Y25-Y42 HydrophobicContact CD1-CD2 3.72Å; Y25-Y42 HydrophobicContact CD1-CE1 4.36Å; Y25-Y42 AromaticContact CD1-CE2 3.64Å; Y25-Y42 HydrophobicContact CD1-CE2 3.64Å; Y25-Y42 HydrophobicContact CD1-CG 4.18Å; Y25-Y42 AromaticContact CD1-CZ 3.99Å; Y25-Y42 HydrophobicContact CE1-CD2 4.4Å; Y25-Y42 AromaticContact CE1-CE2 3.86Å; Y25-Y42 HydrophobicContact CE1-CE2 3.86Å; W26-Y42 CarbonylContact O-C 3.53Å; W26-Y42 WeakPolarHBondContact O-CA 3.48Å; W26-Y42 WeakPolarHBondContact O-CB 3.19Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.45Å; W39-Y42 HydrophobicContact CH2-CD1 4.42Å; W39-Y42 AromaticContact CZ2-CD1 3.54Å; W39-Y42 HydrophobicContact CZ2-CD1 3.54Å; W39-Y42 HydrophobicContact CZ2-CE1 4.2Å; W39-Y42 HydrophobicContact CZ2-CG 4.31Å; Y42-N44 HydrophobicContact CD2-CB 4.33Å; Y42-N44 HydrophobicContact CE2-CB 4.15Å; Y42-T49 VanDerWaalsContact O-CA 3.24Å; Y42-T49 WeakPolarHBondContact O-CA 3.18Å; Y42-S50 VanDerWaalsContact CE1-CB 3.41Å; Y42-S50 PolarHBondContact N-O 2.67Å; Y42-S50 PolarHBondContact O-N 2.05Å; Y42-S50 VanDerWaalsContact O-N 3.09Å
43	I	96.8	Very high	95	Very high	9 Å²	9	62.3 Å²	62.3	5%	0.046	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.9	159	-169.6	162.3	0	0	0	109.3	W26 S48 T49 I61 R63 F70	W26-I43 HydrophobicContact CB-CG2 4.3Å; W26-I43 PolarHBondContact N-O 3.39Å; W26-I43 PolarHBondContact O-N 3.36Å; I43-S48 WeakPolarHBondContact CA-O 3.38Å; I43-T49 HydrophobicContact CB-CG2 4Å; I43-T49 HydrophobicContact CD1-CG2 3.94Å; I43-T49 HydrophobicContact CG1-CG2 3.87Å; I43-I61 HydrophobicContact CB-CG2 3.76Å; I43-I61 HydrophobicContact CG2-CG2 3.73Å; I43-R63 HydrophobicContact CD1-CB 4.01Å; I43-R63 HydrophobicContact CD1-CG 3.82Å; I43-F70 HydrophobicContact CG2-CB 4.27Å; I43-F70 HydrophobicContact CG2-CD2 4.37Å
44	N	94.3	Very high	95	Very high	13 Å²	13	61.9 Å²	61.9	7%	0.07	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	177.4	-178.1	77.3	-2	0	0	0	112	G24 Y25 Y42 S46 G47 S48 R63	G24-N44 CarbonylContact O-C 3.59Å; Y25-N44 HydrophobicContact CD1-CB 3.58Å; Y25-N44 HydrophobicContact CE1-CB 3.52Å; Y25-N44 HydrophobicContact CE2-CB 4.48Å; Y25-N44 HydrophobicContact CG-CB 4.13Å; Y42-N44 HydrophobicContact CD2-CB 4.33Å; Y42-N44 HydrophobicContact CE2-CB 4.15Å; N44-S46 PolarHBondContact ND2-OG 3.04Å; N44-S46 VanDerWaalsContact ND2-OG 3.08Å; N44-S46 PolarHBondContact O-N 2.78Å; N44-S46 PolarHBondContact OD1-N 2.87Å; N44-S46 PolarHBondContact OD1-OG 3.1Å; N44-G47 PolarHBondContact O-N 3.43Å; N44-G47 PolarHBondContact OD1-N 3.33Å; N44-S48 PolarHBondContact N-O 2.85Å; N44-S48 WeakPolarHBondContact OD1-CB 3.37Å; N44-S48 PolarHBondContact OD1-N 2.93Å; N44-S48 PolarHBondContact OD1-O 3.46Å; N44-R63 PolarHBondContact O-NH1 2.78Å
45	Y	91.8	Very high	95	Very high	122 Å²	122	58.8 Å²	58.8	48%	0.478	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.6	178	65.7	-89.2	0	0	0	114.7	T22 G24 Y25 G47 R63	T22-Y45 WeakPolarHBondContact O-CB 3.26Å; G24-Y45 PolarHBondContact O-N 2.79Å; Y25-Y45 HydrophobicContact CE2-CD1 4.31Å; Y25-Y45 HydrophobicContact CE2-CE1 4.26Å; Y45-G47 VanDerWaalsContact C-N 3.33Å; Y45-R63 VanDerWaalsContact O-CZ 3.3Å; Y45-R63 PolarHBondContact O-NH1 3.04Å; Y45-R63 PolarHBondContact O-NH2 2.69Å
46	S	92.9	Very high	95.2	Very high	69 Å²	69	59.3 Å²	59.3	48%	0.483	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-7	173.5	62.7	0	0	0	0	113.6	N44 S48 R63	N44-S46 PolarHBondContact ND2-OG 3.04Å; N44-S46 VanDerWaalsContact ND2-OG 3.08Å; N44-S46 PolarHBondContact O-N 2.78Å; N44-S46 PolarHBondContact OD1-N 2.87Å; N44-S46 PolarHBondContact OD1-OG 3.1Å; S46-S48 PolarHBondContact OG-OG 2.8Å; S46-R63 VanDerWaalsContact C-NH2 3.34Å
47	G	94.4	Very high	95.2	Very high	29 Å²	29	58.1 Å²	58.1	30%	0.299	33%	0.325	S	S	.	.	S	Bend	trans	87.9	7.1	-177.6	0	0	0	0	0	113.7	N44 Y45 R63	N44-G47 PolarHBondContact O-N 3.43Å; N44-G47 PolarHBondContact OD1-N 3.33Å; Y45-G47 VanDerWaalsContact C-N 3.33Å; G47-R63 VanDerWaalsContact CA-CZ 3.45Å; G47-R63 VanDerWaalsContact N-CZ 3.33Å
48	S	95.4	Very high	95.2	Very high	65 Å²	65	56.3 Å²	56.3	46%	0.455	31%	0.312	S	S	.	.			trans	-75.4	137.8	174.2	-52.3	0	0	0	0	110.1	I43 N44 S46	I43-S48 WeakPolarHBondContact CA-O 3.38Å; N44-S48 PolarHBondContact N-O 2.85Å; N44-S48 WeakPolarHBondContact OD1-CB 3.37Å; N44-S48 PolarHBondContact OD1-N 2.93Å; N44-S48 PolarHBondContact OD1-O 3.46Å; S46-S48 PolarHBondContact OG-OG 2.8Å
49	T	96.9	Very high	95.2	Very high	56 Å²	56	54.8 Å²	54.8	34%	0.344	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	149.9	-178.2	54.6	0	0	0	0	112.2	Y42 I43 Y51 I61	Y42-T49 VanDerWaalsContact O-CA 3.24Å; Y42-T49 WeakPolarHBondContact O-CA 3.18Å; I43-T49 HydrophobicContact CB-CG2 4Å; I43-T49 HydrophobicContact CD1-CG2 3.94Å; I43-T49 HydrophobicContact CG1-CG2 3.87Å; T49-Y51 PolarHBondContact OG1-OH 3.39Å; T49-I61 HydrophobicContact CG2-CB 4.39Å
50	S	96.1	Very high	95.3	Very high	42 Å²	42	52.7 Å²	52.7	29%	0.294	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148.3	166	-171.1	0	0	0	0	108.7	G41 Y42	G41-S50 CarbonylContact C-O 3.53Å; G41-S50 WeakPolarHBondContact CA-O 3.42Å; Y42-S50 VanDerWaalsContact CE1-CB 3.41Å; Y42-S50 PolarHBondContact N-O 2.67Å; Y42-S50 PolarHBondContact O-N 2.05Å; Y42-S50 VanDerWaalsContact O-N 3.09Å
51	Y	97.3	Very high	95.4	Very high	49 Å²	49	53 Å²	53	19%	0.192	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	146.3	-170.8	-60.4	-53.3	0	0	0	110.2	T49 P53 K56 I59 I61	T49-Y51 PolarHBondContact OG1-OH 3.39Å; Y51-P53 WeakPolarHBondContact O-CD 3.26Å; Y51-K56 HydrophobicContact CD2-CG 4.02Å; Y51-K56 HydrophobicContact CG-CG 4.41Å; Y51-I59 HydrophobicContact CD1-CD1 3.44Å; Y51-I59 VanDerWaalsContact CD1-CD1 3.44Å; Y51-I59 HydrophobicContact CD1-CG1 3.67Å; Y51-I59 HydrophobicContact CE1-CD1 4.28Å; Y51-I59 HydrophobicContact CE1-CG1 4.17Å; Y51-I59 HydrophobicContact CG-CD1 3.98Å; Y51-I59 HydrophobicContact CG-CG1 4.1Å; Y51-I61 HydrophobicContact CD1-CD1 4.18Å; Y51-I61 HydrophobicContact CE1-CB 4.12Å; Y51-I61 HydrophobicContact CE1-CD1 3.98Å; Y51-I61 HydrophobicContact CE1-CG1 3.91Å; Y51-I61 PolarHBondContact OH-N 3.34Å
52	N	96.3	Very high	95.4	Very high	24 Å²	24	56.3 Å²	56.3	13%	0.128	33%	0.325	C	S	.	.			trans	-61.5	124.2	165.4	-178.4	-27.5	0	0	0	108.8	E38 W39 M40 S54 L55 K56	E38-N52 PolarHBondContact OE1-ND2 3.44Å; W39-N52 HydrophobicContact CE3-CB 3.98Å; W39-N52 HydrophobicContact CZ3-CB 4.1Å; W39-N52 VanDerWaalsContact O-CB 3.26Å; W39-N52 WeakPolarHBondContact O-CB 3.43Å; W39-N52 PolarHBondContact O-ND2 3.22Å; M40-N52 WeakPolarHBondContact O-CB 3.43Å; M40-N52 PolarHBondContact O-N 2.92Å; N52-S54 PolarHBondContact O-N 3.07Å; N52-S54 VanDerWaalsContact O-N 3.1Å; N52-S54 WeakPolarHBondContact OD1-CB 3.28Å; N52-S54 PolarHBondContact OD1-N 2.98Å; N52-S54 PolarHBondContact OD1-OG 2.79Å; N52-L55 HydrophobicContact CB-CB 4.46Å; N52-L55 HydrophobicContact CB-CD1 4.39Å; N52-L55 PolarHBondContact O-N 3.47Å; N52-K56 PolarHBondContact O-N 3.42Å
53	P	95.5	Very high	95.4	Very high	112 Å²	112	56.6 Å²	56.6	73%	0.727	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-36.1	-178.3	-29.2	35.9	0	0	0	114	Y51 L55	Y51-P53 WeakPolarHBondContact O-CD 3.26Å; P53-L55 PolarHBondContact O-N 2.98Å
54	S	92.4	Very high	95.4	Very high	93 Å²	93	58 Å²	58	65%	0.65	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-24.7	179.8	-55.2	0	0	0	0	113.4	N52	N52-S54 PolarHBondContact O-N 3.07Å; N52-S54 VanDerWaalsContact O-N 3.1Å; N52-S54 WeakPolarHBondContact OD1-CB 3.28Å; N52-S54 PolarHBondContact OD1-N 2.98Å; N52-S54 PolarHBondContact OD1-OG 2.79Å
55	L	93.3	Very high	95.4	Very high	9 Å²	9	61.2 Å²	61.2	5%	0.047	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-12.1	-174.9	-63.1	174.2	0	0	0	113	M40 N52 P53 S57 R58 I59	M40-L55 HydrophobicContact CB-CD1 4.09Å; M40-L55 HydrophobicContact CE-CD1 4.04Å; M40-L55 HydrophobicContact CG-CD1 3.9Å; N52-L55 HydrophobicContact CB-CB 4.46Å; N52-L55 HydrophobicContact CB-CD1 4.39Å; N52-L55 PolarHBondContact O-N 3.47Å; P53-L55 PolarHBondContact O-N 2.98Å; L55-S57 PolarHBondContact O-N 2.91Å; L55-R58 VanDerWaalsContact CD2-NH2 3.33Å; L55-R58 PolarHBondContact O-N 2.87Å; L55-I59 HydrophobicContact CB-CD1 3.98Å; L55-I59 HydrophobicContact CB-CG1 4.37Å; L55-I59 HydrophobicContact CB-CG2 3.98Å; L55-I59 WeakPolarHBondContact O-CG1 3.42Å; L55-I59 PolarHBondContact O-N 3.09Å; L55-I59 VanDerWaalsContact O-N 3.1Å
56	K	93.2	Very high	95.5	Very high	137 Å²	137	60.3 Å²	60.3	60%	0.596	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-30.7	-169.7	-175.6	172.7	-178.7	-179.9	0	115	Y51 N52 R58	Y51-K56 HydrophobicContact CD2-CG 4.02Å; Y51-K56 HydrophobicContact CG-CG 4.41Å; N52-K56 PolarHBondContact O-N 3.42Å; K56-R58 VanDerWaalsContact C-N 3.34Å
57	S	95.1	Very high	95.7	Very high	113 Å²	113	63.1 Å²	63.1	79%	0.79	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-18.1	178.8	58.4	0	0	0	0	113.9	L55	L55-S57 PolarHBondContact O-N 2.91Å
58	R	95.8	Very high	95.8	Very high	53 Å²	53	63.5 Å²	63.5	20%	0.2	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-21	-173.7	-58.1	-167.5	-61.1	126.9	-2.4	113.5	L55 K56 L74 N75 S76 D81	L55-R58 VanDerWaalsContact CD2-NH2 3.33Å; L55-R58 PolarHBondContact O-N 2.87Å; K56-R58 VanDerWaalsContact C-N 3.34Å; R58-L74 HydrophobicContact CB-CD1 3.96Å; R58-N75 PolarHBondContact O-N 2.91Å; R58-S76 PolarHBondContact NH1-O 2.92Å; R58-D81 IonicContact CZ-OD1 3.69Å; R58-D81 IonicContact CZ-OD2 3.41Å; R58-D81 IonicContact NH1-OD1 3.66Å; R58-D81 PolarHBondContact NH1-OD1 2.89Å; R58-D81 IonicContact NH1-OD2 2.67Å; R58-D81 PolarHBondContact NH1-OD2 3.27Å; R58-D81 IonicContact NH2-OD1 2.78Å; R58-D81 PolarHBondContact NH2-OD1 3.09Å; R58-D81 IonicContact NH2-OD2 3.39Å
59	I	96.6	Very high	95.8	Very high	11 Å²	11	62.5 Å²	62.5	6%	0.056	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	146.9	-175.1	67.9	178.1	0	0	0	113.3	M40 Y51 L55 L72 Q73 L74	M40-I59 HydrophobicContact CE-CG2 4.04Å; M40-I59 WeakPolarHBondContact O-CD1 3.47Å; Y51-I59 HydrophobicContact CD1-CD1 3.44Å; Y51-I59 VanDerWaalsContact CD1-CD1 3.44Å; Y51-I59 HydrophobicContact CD1-CG1 3.67Å; Y51-I59 HydrophobicContact CE1-CD1 4.28Å; Y51-I59 HydrophobicContact CE1-CG1 4.17Å; Y51-I59 HydrophobicContact CG-CD1 3.98Å; Y51-I59 HydrophobicContact CG-CG1 4.1Å; L55-I59 HydrophobicContact CB-CD1 3.98Å; L55-I59 HydrophobicContact CB-CG1 4.37Å; L55-I59 HydrophobicContact CB-CG2 3.98Å; L55-I59 WeakPolarHBondContact O-CG1 3.42Å; L55-I59 PolarHBondContact O-N 3.09Å; L55-I59 VanDerWaalsContact O-N 3.1Å; I59-L72 HydrophobicContact CB-CD1 4.2Å; I59-L72 HydrophobicContact CG2-CD1 4.3Å; I59-Q73 CarbonylContact C-O 3.6Å; I59-Q73 VanDerWaalsContact CA-O 3.29Å; I59-Q73 WeakPolarHBondContact CA-O 2.99Å; I59-L74 HydrophobicContact CG2-CD1 3.5Å
60	S	97.6	Very high	95.8	Very high	37 Å²	37	59.9 Å²	59.9	26%	0.259	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	130.4	167.1	-180	0	0	0	0	108.9	Q73	S60-Q73 PolarHBondContact N-O 2.88Å; S60-Q73 PolarHBondContact O-N 2.83Å
61	I	98.1	Very high	95.9	Very high	5 Å²	5	59.9 Å²	59.9	3%	0.026	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.8	176.7	-59.1	171.1	0	0	0	108.1	I43 T49 Y51 F71 L72	I43-I61 HydrophobicContact CB-CG2 3.76Å; I43-I61 HydrophobicContact CG2-CG2 3.73Å; T49-I61 HydrophobicContact CG2-CB 4.39Å; Y51-I61 HydrophobicContact CD1-CD1 4.18Å; Y51-I61 HydrophobicContact CE1-CB 4.12Å; Y51-I61 HydrophobicContact CE1-CD1 3.98Å; Y51-I61 HydrophobicContact CE1-CG1 3.91Å; Y51-I61 PolarHBondContact OH-N 3.34Å; I61-F71 VanDerWaalsContact CA-O 3.31Å; I61-F71 WeakPolarHBondContact CA-O 3.44Å; I61-L72 HydrophobicContact CG1-CD1 4Å
62	T	97.3	Very high	95.9	Very high	70 Å²	70	57.6 Å²	57.6	43%	0.429	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	171	-179.4	64.8	0	0	0	0	110.7	F70 F71	T62-F70 CarbonylContact O-C 3.42Å; T62-F70 VanDerWaalsContact O-CA 3.32Å; T62-F70 WeakPolarHBondContact O-CA 3.05Å; T62-F70 WeakPolarHBondContact O-CB 3.36Å; T62-F71 PolarHBondContact N-O 3.18Å; T62-F71 VanDerWaalsContact N-O 3.09Å; T62-F71 PolarHBondContact O-N 2.87Å
63	R	96.4	Very high	96	Very high	70 Å²	70	60.4 Å²	60.4	26%	0.264	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	154.3	179.1	73.2	179.9	-175.2	178.4	5	113.2	I21 I43 N44 Y45 S46 G47 Q69 F70	I21-R63 HydrophobicContact CD1-CB 3.76Å; I21-R63 HydrophobicContact CD1-CG 4.14Å; I43-R63 HydrophobicContact CD1-CB 4.01Å; I43-R63 HydrophobicContact CD1-CG 3.82Å; N44-R63 PolarHBondContact O-NH1 2.78Å; Y45-R63 VanDerWaalsContact O-CZ 3.3Å; Y45-R63 PolarHBondContact O-NH1 3.04Å; Y45-R63 PolarHBondContact O-NH2 2.69Å; S46-R63 VanDerWaalsContact C-NH2 3.34Å; G47-R63 VanDerWaalsContact CA-CZ 3.45Å; G47-R63 VanDerWaalsContact N-CZ 3.33Å; R63-Q69 WeakPolarHBondContact CA-O 3.47Å; R63-F70 HydrophobicContact CB-CB 4.08Å
64	D	95.9	Very high	96	Very high	38 Å²	38	55.1 Å²	55.1	20%	0.203	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	100.7	171.5	-174.8	-17	0	0	0	108.5	S66 K67 N68 Q69 F71	D64-S66 PolarHBondContact O-N 2.94Å; D64-S66 WeakPolarHBondContact OD1-CB 3.46Å; D64-S66 PolarHBondContact OD1-N 3.23Å; D64-S66 PolarHBondContact OD1-OG 2.95Å; D64-K67 HydrophobicContact CB-CB 4.35Å; D64-K67 PolarHBondContact O-N 3.47Å; D64-K67 PolarHBondContact OD1-N 3.5Å; D64-K67 WeakPolarHBondContact OD2-CD 3.1Å; D64-K67 VanDerWaalsContact OD2-CE 3.24Å; D64-K67 WeakPolarHBondContact OD2-CE 3.24Å; D64-K67 WeakPolarHBondContact OD2-CG 3.49Å; D64-K67 IonicContact OD2-NZ 3.39Å; D64-K67 PolarHBondContact OD2-NZ 2.89Å; D64-N68 PolarHBondContact O-N 3.16Å; D64-Q69 PolarHBondContact N-O 3.41Å; D64-Q69 PolarHBondContact O-N 3.02Å; D64-F71 HydrophobicContact CB-CE2 3.81Å; D64-F71 HydrophobicContact CB-CZ 4.28Å
65	T	95	Very high	96.2	Very high	82 Å²	82	53 Å²	53	50%	0.503	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-25.6	-179.2	52	0	0	0	0	112.3	I21 T22 K67 N68	I21-T65 HydrophobicContact CD1-CG2 3.78Å; I21-T65 HydrophobicContact CG1-CG2 4.03Å; T22-T65 HydrophobicContact CG2-CG2 3.65Å; T65-K67 VanDerWaalsContact C-N 3.28Å; T65-K67 PolarHBondContact O-N 2.86Å; T65-N68 PolarHBondContact O-N 2.86Å
66	S	94.9	Very high	96.3	Very high	103 Å²	103	56 Å²	56	72%	0.72	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-28.8	177.8	75.9	0	0	0	0	112.2	D64	D64-S66 PolarHBondContact O-N 2.94Å; D64-S66 WeakPolarHBondContact OD1-CB 3.46Å; D64-S66 PolarHBondContact OD1-N 3.23Å; D64-S66 PolarHBondContact OD1-OG 2.95Å
67	K	96.1	Very high	96.4	Very high	128 Å²	128	49.6 Å²	49.6	56%	0.557	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-2.7	178.6	-63.3	-178.6	-168.9	151.3	0	113.7	D64 T65 Q69	D64-K67 HydrophobicContact CB-CB 4.35Å; D64-K67 PolarHBondContact O-N 3.47Å; D64-K67 PolarHBondContact OD1-N 3.5Å; D64-K67 WeakPolarHBondContact OD2-CD 3.1Å; D64-K67 VanDerWaalsContact OD2-CE 3.24Å; D64-K67 WeakPolarHBondContact OD2-CE 3.24Å; D64-K67 WeakPolarHBondContact OD2-CG 3.49Å; D64-K67 IonicContact OD2-NZ 3.39Å; D64-K67 PolarHBondContact OD2-NZ 2.89Å; T65-K67 VanDerWaalsContact C-N 3.28Å; T65-K67 PolarHBondContact O-N 2.86Å; K67-Q69 VanDerWaalsContact C-N 3.27Å; K67-Q69 HydrophobicContact CB-CB 4.24Å; K67-Q69 HydrophobicContact CB-CG 4.17Å; K67-Q69 PolarHBondContact O-N 2.96Å
68	N	95.6	Very high	96.4	Very high	36 Å²	36	46.5 Å²	46.5	19%	0.193	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	44.8	-173.5	-153.1	38.8	0	0	0	112.5	V16 D19 S20 I21 D64 T65	V16-N68 PolarHBondContact N-O 3.26Å; V16-N68 PolarHBondContact O-ND2 3.1Å; D19-N68 PolarHBondContact O-ND2 2.79Å; S20-N68 WeakPolarHBondContact CA-OD1 3.43Å; I21-N68 WeakPolarHBondContact CG2-O 3.35Å; I21-N68 WeakPolarHBondContact CG2-OD1 3.15Å; I21-N68 PolarHBondContact N-OD1 2.86Å; D64-N68 PolarHBondContact O-N 3.16Å; T65-N68 PolarHBondContact O-N 2.86Å
69	Q	96.8	Very high	96.3	Very high	44 Å²	44	47.9 Å²	47.9	21%	0.206	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150.4	-174.1	-79.7	172.1	-11.3	0	0	111.7	T13 C14 S15 I21 R63 D64 K67 F71	T13-Q69 HydrophobicContact CG2-CB 4.38Å; T13-Q69 HydrophobicContact CG2-CG 4.1Å; C14-Q69 WeakPolarHBondContact O-CA 3.28Å; S15-Q69 PolarHBondContact OG-NE2 3.02Å; I21-Q69 WeakPolarHBondContact CD1-O 3.46Å; R63-Q69 WeakPolarHBondContact CA-O 3.47Å; D64-Q69 PolarHBondContact N-O 3.41Å; D64-Q69 PolarHBondContact O-N 3.02Å; K67-Q69 VanDerWaalsContact C-N 3.27Å; K67-Q69 HydrophobicContact CB-CB 4.24Å; K67-Q69 HydrophobicContact CB-CG 4.17Å; K67-Q69 PolarHBondContact O-N 2.96Å; Q69-F71 HydrophobicContact CB-CE1 4.32Å; Q69-F71 HydrophobicContact CB-CE2 4.06Å; Q69-F71 HydrophobicContact CB-CZ 3.67Å
70	F	96.6	Very high	96.1	Very high	1 Å²	1	54.7 Å²	54.7	0%	0.004	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153.9	166.5	74	-77	0	0	0	111.1	C14 V16 W26 W28 I43 T62 R63 C87	C14-F70 HydrophobicContact CB-CD1 3.93Å; C14-F70 HydrophobicContact CB-CE1 3.45Å; C14-F70 VanDerWaalsContact CB-CE1 3.45Å; C14-F70 HydrophobicContact CB-CE2 4.39Å; C14-F70 HydrophobicContact CB-CZ 3.74Å; C14-F70 PolarHBondContact N-O 2.86Å; C14-F70 PolarHBondContact O-N 3.14Å; C14-F70 VanDerWaalsContact SG-CE1 3.54Å; V16-F70 HydrophobicContact CG2-CD1 4.32Å; V16-F70 HydrophobicContact CG2-CE1 4.2Å; W26-F70 HydrophobicContact CB-CD1 4.09Å; W26-F70 HydrophobicContact CB-CD2 4.1Å; W26-F70 HydrophobicContact CB-CE1 3.86Å; W26-F70 HydrophobicContact CB-CE2 3.89Å; W26-F70 HydrophobicContact CB-CG 4.18Å; W26-F70 HydrophobicContact CB-CZ 3.73Å; W26-F70 HydrophobicContact CD2-CD1 4.49Å; W26-F70 HydrophobicContact CD2-CE1 4Å; W26-F70 HydrophobicContact CD2-CZ 4.47Å; W26-F70 AromaticContact CE3-CE1 3.63Å; W26-F70 HydrophobicContact CE3-CE1 3.63Å; W26-F70 HydrophobicContact CE3-CZ 4.01Å; W26-F70 HydrophobicContact CG-CD1 4.33Å; W26-F70 HydrophobicContact CG-CE1 4.12Å; W26-F70 HydrophobicContact CG-CZ 4.42Å; W26-F70 HydrophobicContact CZ3-CE1 4.48Å; W28-F70 AromaticContact CD1-CE2 3.68Å; W28-F70 HydrophobicContact CD2-CE2 4.32Å; W28-F70 AromaticContact CE2-CE2 3.66Å; W28-F70 HydrophobicContact CG-CE2 4.34Å; W28-F70 HydrophobicContact CZ2-CD2 4.41Å; W28-F70 HydrophobicContact CZ2-CE2 4.18Å; W28-F70 AromaticContact NE1-CD2 3.3Å; W28-F70 VanDerWaalsContact NE1-CD2 3.3Å; W28-F70 AromaticContact NE1-CE2 3.22Å; I43-F70 HydrophobicContact CG2-CB 4.27Å; I43-F70 HydrophobicContact CG2-CD2 4.37Å; T62-F70 CarbonylContact O-C 3.42Å; T62-F70 VanDerWaalsContact O-CA 3.32Å; T62-F70 WeakPolarHBondContact O-CA 3.05Å; T62-F70 WeakPolarHBondContact O-CB 3.36Å; R63-F70 HydrophobicContact CB-CB 4.08Å; F70-C87 HydrophobicContact CE1-CB 4.01Å; F70-C87 HydrophobicContact CE2-CB 4.22Å; F70-C87 HydrophobicContact CZ-CB 3.35Å
71	F	97.7	Very high	96	Very high	43 Å²	43	53.3 Å²	53.3	19%	0.189	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	145.4	-164.2	-49.6	-88.8	0	0	0	110.6	L12 T13 I61 T62 D64 Q69	L12-F71 CarbonylContact O-C 3.56Å; L12-F71 WeakPolarHBondContact O-CA 3.39Å; T13-F71 HydrophobicContact CG2-CD1 3.84Å; T13-F71 HydrophobicContact CG2-CE1 3.49Å; T13-F71 VanDerWaalsContact CG2-CE1 3.49Å; T13-F71 HydrophobicContact CG2-CZ 4.37Å; T13-F71 VanDerWaalsContact OG1-CD1 3.31Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.36Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.18Å; I61-F71 VanDerWaalsContact CA-O 3.31Å; I61-F71 WeakPolarHBondContact CA-O 3.44Å; T62-F71 PolarHBondContact N-O 3.18Å; T62-F71 VanDerWaalsContact N-O 3.09Å; T62-F71 PolarHBondContact O-N 2.87Å; D64-F71 HydrophobicContact CB-CE2 3.81Å; D64-F71 HydrophobicContact CB-CZ 4.28Å; Q69-F71 HydrophobicContact CB-CE1 4.32Å; Q69-F71 HydrophobicContact CB-CE2 4.06Å; Q69-F71 HydrophobicContact CB-CZ 3.67Å
72	L	98.1	Very high	95.9	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.2	166.8	172.5	69.1	0	0	0	108.5	S11 L12 W28 M40 I59 I61 Y85	S11-L72 CarbonylContact C-O 3.6Å; S11-L72 WeakPolarHBondContact CA-O 3.05Å; L12-L72 HydrophobicContact CB-CB 4.37Å; L12-L72 HydrophobicContact CD1-CD2 4.38Å; L12-L72 PolarHBondContact N-O 2.91Å; L12-L72 PolarHBondContact O-N 2.63Å; W28-L72 HydrophobicContact CB-CD2 4.21Å; W28-L72 HydrophobicContact CD2-CB 3.65Å; W28-L72 HydrophobicContact CD2-CD2 3.97Å; W28-L72 HydrophobicContact CD2-CG 4.39Å; W28-L72 VanDerWaalsContact CE2-CB 3.41Å; W28-L72 HydrophobicContact CE3-CB 4.32Å; W28-L72 HydrophobicContact CE3-CD2 4.11Å; W28-L72 HydrophobicContact CG-CB 3.84Å; W28-L72 HydrophobicContact CG-CD1 4.42Å; W28-L72 HydrophobicContact CG-CD2 4.02Å; W28-L72 HydrophobicContact CG-CG 4.32Å; W28-L72 HydrophobicContact CZ2-CB 3.91Å; M40-L72 HydrophobicContact CE-CD1 4.41Å; M40-L72 HydrophobicContact CE-CD2 3.83Å; M40-L72 HydrophobicContact SD-CD2 3.74Å; I59-L72 HydrophobicContact CB-CD1 4.2Å; I59-L72 HydrophobicContact CG2-CD1 4.3Å; I61-L72 HydrophobicContact CG1-CD1 4Å; L72-Y85 HydrophobicContact CD2-CD1 3.99Å; L72-Y85 HydrophobicContact CD2-CE1 4.21Å
73	Q	97.6	Very high	95.9	Very high	83 Å²	83	51.4 Å²	51.4	39%	0.388	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.8	164.5	-170.2	177.2	35.3	0	0	108.5	T9 L10 I59 S60	T9-Q73 HydrophobicContact CG2-CG 3.48Å; T9-Q73 VanDerWaalsContact CG2-CG 3.48Å; L10-Q73 CarbonylContact O-C 3.53Å; L10-Q73 WeakPolarHBondContact O-CA 3.44Å; I59-Q73 CarbonylContact C-O 3.6Å; I59-Q73 VanDerWaalsContact CA-O 3.29Å; I59-Q73 WeakPolarHBondContact CA-O 2.99Å; S60-Q73 PolarHBondContact N-O 2.88Å; S60-Q73 PolarHBondContact O-N 2.83Å
74	L	96.6	Very high	95.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	114.4	174.7	175.5	66.2	0	0	0	108.6	T9 L10 M40 R58 I59 V77 D81 Y85	T9-L74 WeakPolarHBondContact CA-O 3.4Å; L10-L74 HydrophobicContact CB-CB 4.35Å; L10-L74 HydrophobicContact CD2-CD2 4.48Å; L10-L74 PolarHBondContact N-O 2.89Å; L10-L74 PolarHBondContact O-N 2.8Å; M40-L74 HydrophobicContact CE-CD2 4.33Å; R58-L74 HydrophobicContact CB-CD1 3.96Å; I59-L74 HydrophobicContact CG2-CD1 3.5Å; L74-V77 HydrophobicContact CD2-CG1 3.96Å; L74-V77 HydrophobicContact CG-CG1 3.97Å; L74-D81 HydrophobicContact CD2-CB 4.02Å; L74-Y85 HydrophobicContact CD2-CE1 4.46Å; L74-Y85 WeakPolarHBondContact CD2-OH 3.31Å
75	N	96.3	Very high	96	Very high	50 Å²	50	47.5 Å²	47.5	27%	0.267	26%	0.263	S	S	.	.			trans	-90.1	151.2	-177.6	-64.5	-46.4	0	0	0	111.7	T9 R58 V77	T9-N75 WeakPolarHBondContact CG2-OD1 3.21Å; T9-N75 PolarHBondContact OG1-OD1 2.94Å; R58-N75 PolarHBondContact O-N 2.91Å; N75-V77 PolarHBondContact O-N 3.09Å
76	S	94.4	Very high	96.1	Very high	71 Å²	71	45.8 Å²	45.8	50%	0.497	25%	0.247	S	C	.	.	S	Bend	trans	52.4	57.3	175.9	-55.1	0	0	0	0	112	Q8 R58	Q8-S76 PolarHBondContact O-N 3.06Å; R58-S76 PolarHBondContact NH1-O 2.92Å
77	V	95.1	Very high	96.2	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.018	22%	0.217	C	C	.	.			trans	-62.7	142.8	-177.9	-62.1	0	0	0	0	111.8	V4 R5 P6 S7 Q8 L10 L74 N75 D81 V108	V4-V77 HydrophobicContact CG1-CG2 3.95Å; R5-V77 WeakPolarHBondContact O-CG2 3.45Å; P6-V77 CarbonylContact C-O 3.57Å; P6-V77 WeakPolarHBondContact CA-O 3.2Å; S7-V77 PolarHBondContact N-O 3.44Å; Q8-V77 HydrophobicContact CB-CG2 4.42Å; Q8-V77 WeakPolarHBondContact O-CG2 2.95Å; Q8-V77 PolarHBondContact O-N 3.31Å; Q8-V77 VanDerWaalsContact O-N 3.09Å; L10-V77 HydrophobicContact CB-CG1 3.82Å; L74-V77 HydrophobicContact CD2-CG1 3.96Å; L74-V77 HydrophobicContact CG-CG1 3.97Å; N75-V77 PolarHBondContact O-N 3.09Å; V77-D81 VanDerWaalsContact CA-OD2 3.28Å; V77-D81 WeakPolarHBondContact CA-OD2 3.22Å; V77-V108 HydrophobicContact CB-CG2 4.27Å; V77-V108 HydrophobicContact CG2-CG1 4.03Å; V77-V108 HydrophobicContact CG2-CG2 4.22Å
78	T	94.9	Very high	96.1	Very high	48 Å²	48	35.4 Å²	35.4	29%	0.294	19%	0.191	S	C	.	.			trans	-119.7	166.5	177.3	71.4	0	0	0	0	110.2	E80 D81 V108	T78-E80 PolarHBondContact O-N 3.49Å; T78-E80 VanDerWaalsContact O-N 3.11Å; T78-E80 WeakPolarHBondContact OG1-CB 3.18Å; T78-E80 PolarHBondContact OG1-N 2.91Å; T78-D81 PolarHBondContact N-OD2 2.95Å; T78-D81 WeakPolarHBondContact O-CB 3.19Å; T78-D81 PolarHBondContact O-N 2.86Å; T78-V108 WeakPolarHBondContact O-CB 3.37Å; T78-V108 WeakPolarHBondContact O-CG1 3.33Å
79	P	94.6	Very high	96	Very high	81 Å²	81	35.6 Å²	35.6	53%	0.526	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-53.9	-27.9	172.5	-29	37.8	0	0	0	114	D81 T82	P79-D81 PolarHBondContact O-N 2.83Å; P79-T82 WeakPolarHBondContact O-CB 3.41Å; P79-T82 PolarHBondContact O-N 2.76Å; P79-T82 VanDerWaalsContact O-N 3.16Å; P79-T82 PolarHBondContact O-OG1 2.94Å
80	E	92.9	Very high	95.7	Very high	155 Å²	155	35 Å²	35	72%	0.724	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-65.5	-27.7	176.6	-60.1	173.2	175.8	0	0	111.9	F32 T78 T82	F32-E80 WeakPolarHBondContact CE1-O 3.45Å; T78-E80 PolarHBondContact O-N 3.49Å; T78-E80 VanDerWaalsContact O-N 3.11Å; T78-E80 WeakPolarHBondContact OG1-CB 3.18Å; T78-E80 PolarHBondContact OG1-N 2.91Å; E80-T82 PolarHBondContact O-N 2.76Å; E80-T82 VanDerWaalsContact O-N 3.12Å
81	D	94.8	Very high	95.2	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.037	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-75.5	7.3	176.3	-58.1	-52.6	0	0	0	112.5	R58 L74 V77 T78 P79 G83 Y85	R58-D81 IonicContact CZ-OD1 3.69Å; R58-D81 IonicContact CZ-OD2 3.41Å; R58-D81 IonicContact NH1-OD1 3.66Å; R58-D81 PolarHBondContact NH1-OD1 2.89Å; R58-D81 IonicContact NH1-OD2 2.67Å; R58-D81 PolarHBondContact NH1-OD2 3.27Å; R58-D81 IonicContact NH2-OD1 2.78Å; R58-D81 PolarHBondContact NH2-OD1 3.09Å; R58-D81 IonicContact NH2-OD2 3.39Å; L74-D81 HydrophobicContact CD2-CB 4.02Å; V77-D81 VanDerWaalsContact CA-OD2 3.28Å; V77-D81 WeakPolarHBondContact CA-OD2 3.22Å; T78-D81 PolarHBondContact N-OD2 2.95Å; T78-D81 WeakPolarHBondContact O-CB 3.19Å; T78-D81 PolarHBondContact O-N 2.86Å; P79-D81 PolarHBondContact O-N 2.83Å; D81-G83 PolarHBondContact O-N 3.39Å; D81-Y85 PolarHBondContact O-OH 2.86Å
82	T	96.1	Very high	94	Very high	31 Å²	31	46.7 Å²	46.7	19%	0.19	23%	0.232	C	C	.	.			trans	-69.8	126.7	174.8	-67.3	0	0	0	0	111.1	P33 P79 E80 T107 V108	P33-T82 WeakPolarHBondContact CD-O 3.48Å; P79-T82 WeakPolarHBondContact O-CB 3.41Å; P79-T82 PolarHBondContact O-N 2.76Å; P79-T82 VanDerWaalsContact O-N 3.16Å; P79-T82 PolarHBondContact O-OG1 2.94Å; E80-T82 PolarHBondContact O-N 2.76Å; E80-T82 VanDerWaalsContact O-N 3.12Å; T82-T107 HydrophobicContact CG2-CG2 4.41Å; T82-V108 PolarHBondContact OG1-N 2.77Å
83	G	96.6	Very high	92.7	Very high	5 Å²	5	50.4 Å²	50.4	5%	0.052	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.5	-169.6	178.3	0	0	0	0	0	113.5	Q31 D81 T105 L106	Q31-G83 CarbonylContact O-C 3.6Å; Q31-G83 WeakPolarHBondContact O-CA 3.17Å; D81-G83 PolarHBondContact O-N 3.39Å; G83-T105 WeakPolarHBondContact O-CA 3.24Å; G83-L106 PolarHBondContact N-O 3.39Å; G83-L106 VanDerWaalsContact N-O 3.14Å; G83-L106 PolarHBondContact O-N 3.06Å
84	T	97.9	Very high	91.7	Very high	22 Å²	22	48.3 Å²	48.3	14%	0.135	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	122.8	174.2	-56	0	0	0	0	110	Q31 Y86 T104 T105	Q31-T84 PolarHBondContact N-O 2.88Å; Q31-T84 PolarHBondContact O-N 3.03Å; T84-Y86 HydrophobicContact CG2-CD2 4.18Å; T84-Y86 HydrophobicContact CG2-CE1 3.94Å; T84-Y86 HydrophobicContact CG2-CE2 3.49Å; T84-Y86 VanDerWaalsContact CG2-CE2 3.49Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.48Å; T84-Y86 WeakPolarHBondContact O-CD2 3.24Å; T84-T104 WeakPolarHBondContact CA-O 3.43Å; T84-T105 PolarHBondContact OG1-OG1 3.02Å
85	Y	97.7	Very high	90.8	Very high	3 Å²	3	54.1 Å²	54.1	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.3	179.9	-68.5	-101.1	0	0	0	109.9	L10 L12 I29 L30 M40 L72 L74 D81 G103 T104 L106	L10-Y85 HydrophobicContact CD2-CE1 4.35Å; L10-Y85 HydrophobicContact CD2-CE2 4.25Å; L12-Y85 VanDerWaalsContact CD1-CB 3.47Å; L12-Y85 HydrophobicContact CD1-CD1 3.75Å; L12-Y85 HydrophobicContact CD1-CD2 4.09Å; L12-Y85 HydrophobicContact CD1-CE1 4.47Å; L12-Y85 HydrophobicContact CD1-CG 3.5Å; I29-Y85 CarbonylContact O-C 3.6Å; I29-Y85 WeakPolarHBondContact O-CA 3.23Å; L30-Y85 HydrophobicContact CB-CE1 4.49Å; L30-Y85 HydrophobicContact CD1-CD1 4.15Å; L30-Y85 HydrophobicContact CD1-CD2 3.92Å; L30-Y85 HydrophobicContact CD1-CE1 3.93Å; L30-Y85 HydrophobicContact CD1-CE2 3.66Å; L30-Y85 HydrophobicContact CD1-CG 4.16Å; L30-Y85 HydrophobicContact CD2-CE1 4.45Å; M40-Y85 HydrophobicContact CE-CE1 3.93Å; M40-Y85 HydrophobicContact SD-CD1 3.79Å; M40-Y85 HydrophobicContact SD-CE1 3.7Å; L72-Y85 HydrophobicContact CD2-CD1 3.99Å; L72-Y85 HydrophobicContact CD2-CE1 4.21Å; L74-Y85 HydrophobicContact CD2-CE1 4.46Å; L74-Y85 WeakPolarHBondContact CD2-OH 3.31Å; D81-Y85 PolarHBondContact O-OH 2.86Å; Y85-G103 CarbonylContact O-C 3.45Å; Y85-G103 VanDerWaalsContact O-CA 3.23Å; Y85-G103 WeakPolarHBondContact O-CA 3.37Å; Y85-T104 PolarHBondContact N-O 3.23Å; Y85-T104 PolarHBondContact O-N 3.46Å; Y85-L106 HydrophobicContact CD2-CB 4.39Å; Y85-L106 HydrophobicContact CD2-CD1 3.78Å; Y85-L106 HydrophobicContact CD2-CG 4.09Å; Y85-L106 HydrophobicContact CE2-CB 4.1Å; Y85-L106 HydrophobicContact CE2-CD1 3.67Å; Y85-L106 HydrophobicContact CE2-CG 4.17Å
86	Y	97.6	Very high	90.1	Very high	46 Å²	46	59.3 Å²	59.3	18%	0.18	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	142.9	177.8	-61.7	-86.2	0	0	0	110.6	W28 I29 Q31 T84 W100 G101 G103	W28-Y86 WeakPolarHBondContact CA-O 3.29Å; I29-Y86 PolarHBondContact N-O 3.32Å; I29-Y86 PolarHBondContact O-N 2.64Å; Q31-Y86 HydrophobicContact CB-CD2 4.17Å; Q31-Y86 HydrophobicContact CB-CE2 3.61Å; Q31-Y86 HydrophobicContact CG-CE2 4.41Å; Q31-Y86 VanDerWaalsContact OE1-CE2 3.27Å; Q31-Y86 PolarHBondContact OE1-OH 3Å; T84-Y86 HydrophobicContact CG2-CD2 4.18Å; T84-Y86 HydrophobicContact CG2-CE1 3.94Å; T84-Y86 HydrophobicContact CG2-CE2 3.49Å; T84-Y86 VanDerWaalsContact CG2-CE2 3.49Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.48Å; T84-Y86 WeakPolarHBondContact O-CD2 3.24Å; Y86-W100 HydrophobicContact CD1-CE3 4.3Å; Y86-W100 HydrophobicContact CD2-CZ3 4.42Å; Y86-W100 HydrophobicContact CG-CE3 4.02Å; Y86-W100 HydrophobicContact CG-CZ3 4.17Å; Y86-G101 WeakPolarHBondContact CD1-O 3.45Å; Y86-G103 VanDerWaalsContact CD1-CA 3.43Å
87	C	95.9	Very high	89.7	Confident	13 Å²	13	59 Å²	59	9%	0.088	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	141.4	156.2	40.5	0	0	0	0	110.2	C14 N27 F70 W100 G101	C14-C87 HydrophobicContact CB-CB 3.5Å; C14-C87 VanDerWaalsContact CB-CB 3.5Å; C14-C87 WeakPolarHBondContact CB-SG 3.45Å; C14-C87 WeakPolarHBondContact SG-CB 3.42Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 3.01Å; N27-C87 CarbonylContact O-C 3.52Å; N27-C87 VanDerWaalsContact O-CA 3.28Å; N27-C87 WeakPolarHBondContact O-CA 3.28Å; F70-C87 HydrophobicContact CE1-CB 4.01Å; F70-C87 HydrophobicContact CE2-CB 4.22Å; F70-C87 HydrophobicContact CZ-CB 3.35Å; C87-W100 WeakPolarHBondContact O-CA 3.47Å; C87-G101 PolarHBondContact O-N 3.33Å
88	A	95.1	Very high	89.3	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	154.4	176	0	0	0	0	0	111.8	N27 I29 F97 Y99 W100	N27-A88 HydrophobicContact CB-CB 4.45Å; N27-A88 PolarHBondContact N-O 3.12Å; N27-A88 PolarHBondContact ND2-O 2.84Å; N27-A88 PolarHBondContact O-N 3.21Å; I29-A88 HydrophobicContact CD1-CB 3.72Å; A88-F97 HydrophobicContact CB-CB 4.1Å; A88-F97 HydrophobicContact CB-CD1 3.88Å; A88-F97 HydrophobicContact CB-CD2 4.46Å; A88-F97 HydrophobicContact CB-CE1 4.49Å; A88-F97 HydrophobicContact CB-CG 3.88Å; A88-Y99 CarbonylContact C-O 3.54Å; A88-Y99 WeakPolarHBondContact CA-O 3.35Å; A88-Y99 WeakPolarHBondContact CB-O 3.42Å; A88-W100 HydrophobicContact CB-CD2 4.09Å; A88-W100 HydrophobicContact CB-CE3 4.26Å; A88-W100 HydrophobicContact CB-CG 4.48Å
89	R	93.4	Very high	88.9	Confident	41 Å²	41	64.1 Å²	64.1	16%	0.155	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	141.5	176.7	-168.6	-173.3	68.3	-180	3.6	110.9	D19 Y25 W26 Y91 F97 D98 Y99	D19-R89 VanDerWaalsContact CG-NH1 3.31Å; D19-R89 IonicContact OD2-CZ 2.85Å; D19-R89 IonicContact OD2-NH1 3.61Å; D19-R89 PolarHBondContact OD2-NH1 2.83Å; Y25-R89 WeakPolarHBondContact O-CA 3.37Å; W26-R89 HydrophobicContact CD2-CB 4.43Å; W26-R89 HydrophobicContact CD2-CG 4.31Å; W26-R89 HydrophobicContact CE3-CB 3.96Å; W26-R89 HydrophobicContact CE3-CG 4.32Å; W26-R89 HydrophobicContact CH2-CB 3.89Å; W26-R89 HydrophobicContact CH2-CG 3.96Å; W26-R89 HydrophobicContact CZ2-CB 4.33Å; W26-R89 HydrophobicContact CZ2-CG 3.91Å; W26-R89 HydrophobicContact CZ3-CB 3.68Å; W26-R89 HydrophobicContact CZ3-CG 4.17Å; R89-Y91 VanDerWaalsContact CZ-OH 3.28Å; R89-Y91 PolarHBondContact NH1-OH 3.15Å; R89-F97 CarbonylContact O-C 3.54Å; R89-F97 WeakPolarHBondContact O-CA 3.32Å; R89-D98 IonicContact CZ-OD1 3.68Å; R89-D98 IonicContact CZ-OD2 2.92Å; R89-D98 IonicContact NE-OD1 2.63Å; R89-D98 PolarHBondContact NE-OD1 3.22Å; R89-D98 IonicContact NE-OD2 3.42Å; R89-D98 PolarHBondContact NE-OD2 2.82Å; R89-D98 VanDerWaalsContact NH2-CG 3.27Å; R89-D98 IonicContact NH2-OD1 3.23Å; R89-D98 PolarHBondContact NH2-OD1 2.95Å; R89-D98 IonicContact NH2-OD2 3.58Å; R89-D98 PolarHBondContact NH2-OD2 3.06Å; R89-D98 PolarHBondContact O-N 2.91Å; R89-D98 VanDerWaalsContact O-OD1 3.06Å; R89-Y99 PolarHBondContact N-O 3.45Å
90	D	90.8	Very high	88.9	Confident	31 Å²	31	64.9 Å²	64.9	17%	0.166	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	171.7	160.9	67.4	-39.9	0	0	0	111.5	Y25 N27 F97	Y25-D90 WeakPolarHBondContact CB-OD1 3.46Å; Y25-D90 PolarHBondContact N-O 2.85Å; Y25-D90 PolarHBondContact O-N 2.9Å; N27-D90 PolarHBondContact ND2-OD1 3.08Å; D90-F97 HydrophobicContact CB-CD1 3.82Å; D90-F97 HydrophobicContact CB-CE1 4.13Å
91	Y	84.8	Confident	89	Confident	92 Å²	92	58 Å²	58	36%	0.361	29%	0.294	S	S	.	.			trans	-115.2	154.4	174	-69.7	-76.9	0	0	0	110.2	S23 R89 G93 S94 D98	S23-Y91 WeakPolarHBondContact O-CE1 3.44Å; R89-Y91 VanDerWaalsContact CZ-OH 3.28Å; R89-Y91 PolarHBondContact NH1-OH 3.15Å; Y91-G93 PolarHBondContact O-N 2.96Å; Y91-G93 VanDerWaalsContact O-N 3.16Å; Y91-S94 WeakPolarHBondContact O-CB 3.29Å; Y91-S94 PolarHBondContact O-N 3.03Å; Y91-D98 VanDerWaalsContact CE2-OD2 3.24Å; Y91-D98 WeakPolarHBondContact CE2-OD2 3.32Å
92	Y	72.1	Confident	88.9	Confident	197 Å²	197	66.5 Å²	66.5	77%	0.773	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	122.6	177.1	-173.3	-104.5	0	0	0	111	Y25	Y25-Y92 HydrophobicContact CE2-CD2 4.42Å; Y25-Y92 AromaticContact CZ-CD2 3.97Å; Y25-Y92 VanDerWaalsContact OH-CD2 3.28Å; Y25-Y92 WeakPolarHBondContact OH-CD2 3.31Å
93	G	71.2	Confident	88.9	Confident	80 Å²	80	66.3 Å²	66.3	83%	0.825	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	1.9	-177.2	0	0	0	0	0	115.1	Y91	Y91-G93 PolarHBondContact O-N 2.96Å; Y91-G93 VanDerWaalsContact O-N 3.16Å
94	S	77.1	Confident	88.8	Confident	39 Å²	39	69.1 Å²	69.1	27%	0.273	36%	0.355	S	S	.	.			trans	-74.4	143.2	169.4	-171.3	0	0	0	0	110.9	Y91 Y96	Y91-S94 WeakPolarHBondContact O-CB 3.29Å; Y91-S94 PolarHBondContact O-N 3.03Å; S94-Y96 PolarHBondContact OG-N 2.8Å; S94-Y96 PolarHBondContact OG-O 3.32Å
95	S	77.4	Confident	88.8	Confident	122 Å²	122	71 Å²	71	85%	0.853	37%	0.366	S	S	*	.	S	Bend	trans	-96.3	0.1	171.3	55	0	0	0	0	113.2
96	Y	80.9	Confident	88.6	Confident	158 Å²	158	71.1 Å²	71.1	62%	0.62	37%	0.367	S	S	*	.	S	Bend	trans	-142.6	153.4	-176.3	60.4	-87.4	0	0	0	112.5	S94 D98	S94-Y96 PolarHBondContact OG-N 2.8Å; S94-Y96 PolarHBondContact OG-O 3.32Å; Y96-D98 HydrophobicContact CD2-CB 4.34Å; Y96-D98 HydrophobicContact CE2-CB 4.1Å
97	F	87.4	Confident	88.5	Confident	65 Å²	65	71.4 Å²	71.4	29%	0.285	37%	0.373	S	S	.	.			trans	-83.9	121.1	169.3	-61.8	-62.9	0	0	0	109.5	N27 I29 A88 R89 D90 W100	N27-F97 HydrophobicContact CB-CE1 4.01Å; N27-F97 HydrophobicContact CB-CZ 4.46Å; N27-F97 VanDerWaalsContact CG-CE1 3.5Å; N27-F97 WeakPolarHBondContact ND2-CE1 3.41Å; I29-F97 HydrophobicContact CD1-CD2 3.87Å; I29-F97 HydrophobicContact CD1-CE2 3.51Å; I29-F97 HydrophobicContact CD1-CG 4.49Å; I29-F97 HydrophobicContact CD1-CZ 3.88Å; A88-F97 HydrophobicContact CB-CB 4.1Å; A88-F97 HydrophobicContact CB-CD1 3.88Å; A88-F97 HydrophobicContact CB-CD2 4.46Å; A88-F97 HydrophobicContact CB-CE1 4.49Å; A88-F97 HydrophobicContact CB-CG 3.88Å; R89-F97 CarbonylContact O-C 3.54Å; R89-F97 WeakPolarHBondContact O-CA 3.32Å; D90-F97 HydrophobicContact CB-CD1 3.82Å; D90-F97 HydrophobicContact CB-CE1 4.13Å; F97-W100 HydrophobicContact CB-CZ2 4.13Å; F97-W100 HydrophobicContact CD2-CH2 4.25Å; F97-W100 AromaticContact CD2-CZ2 3.57Å; F97-W100 HydrophobicContact CD2-CZ2 3.57Å; F97-W100 HydrophobicContact CE2-CZ2 4.42Å; F97-W100 HydrophobicContact CG-CZ2 4.19Å
98	D	85.6	Confident	88.3	Confident	64 Å²	64	71.2 Å²	71.2	34%	0.342	37%	0.372	S	S	.	.	S	Bend	trans	-90.5	-17.6	-176.1	62.7	-3.9	0	0	0	113.2	R89 Y91 Y96	R89-D98 IonicContact CZ-OD1 3.68Å; R89-D98 IonicContact CZ-OD2 2.92Å; R89-D98 IonicContact NE-OD1 2.63Å; R89-D98 PolarHBondContact NE-OD1 3.22Å; R89-D98 IonicContact NE-OD2 3.42Å; R89-D98 PolarHBondContact NE-OD2 2.82Å; R89-D98 VanDerWaalsContact NH2-CG 3.27Å; R89-D98 IonicContact NH2-OD1 3.23Å; R89-D98 PolarHBondContact NH2-OD1 2.95Å; R89-D98 IonicContact NH2-OD2 3.58Å; R89-D98 PolarHBondContact NH2-OD2 3.06Å; R89-D98 PolarHBondContact O-N 2.91Å; R89-D98 VanDerWaalsContact O-OD1 3.06Å; Y91-D98 VanDerWaalsContact CE2-OD2 3.24Å; Y91-D98 WeakPolarHBondContact CE2-OD2 3.32Å; Y96-D98 HydrophobicContact CD2-CB 4.34Å; Y96-D98 HydrophobicContact CE2-CB 4.1Å
99	Y	88.2	Confident	88	Confident	95 Å²	95	73.6 Å²	73.6	37%	0.373	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	141.3	174.1	-177.7	-94.7	0	0	0	111.6	W26 A88 R89	W26-Y99 HydrophobicContact CZ3-CD1 4.19Å; A88-Y99 CarbonylContact C-O 3.54Å; A88-Y99 WeakPolarHBondContact CA-O 3.35Å; A88-Y99 WeakPolarHBondContact CB-O 3.42Å; R89-Y99 PolarHBondContact N-O 3.45Å
100	W	93.9	Very high	87.2	Confident	97 Å²	97	79.2 Å²	79.2	37%	0.367	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134.8	173.3	-70.1	75.7	0	0	0	110.1	I29 L37 Y86 C87 A88 F97	I29-W100 HydrophobicContact CB-CZ3 4.25Å; I29-W100 HydrophobicContact CD1-CE3 4.41Å; I29-W100 HydrophobicContact CD1-CH2 3.32Å; I29-W100 HydrophobicContact CD1-CZ2 4Å; I29-W100 HydrophobicContact CD1-CZ3 3.57Å; I29-W100 HydrophobicContact CG1-CZ3 4.5Å; I29-W100 HydrophobicContact CG2-CH2 4.24Å; I29-W100 HydrophobicContact CG2-CZ3 4.17Å; L37-W100 HydrophobicContact CD1-CH2 4.25Å; Y86-W100 HydrophobicContact CD1-CE3 4.3Å; Y86-W100 HydrophobicContact CD2-CZ3 4.42Å; Y86-W100 HydrophobicContact CG-CE3 4.02Å; Y86-W100 HydrophobicContact CG-CZ3 4.17Å; C87-W100 WeakPolarHBondContact O-CA 3.47Å; A88-W100 HydrophobicContact CB-CD2 4.09Å; A88-W100 HydrophobicContact CB-CE3 4.26Å; A88-W100 HydrophobicContact CB-CG 4.48Å; F97-W100 HydrophobicContact CB-CZ2 4.13Å; F97-W100 HydrophobicContact CD2-CH2 4.25Å; F97-W100 AromaticContact CD2-CZ2 3.57Å; F97-W100 HydrophobicContact CD2-CZ2 3.57Å; F97-W100 HydrophobicContact CE2-CZ2 4.42Å; F97-W100 HydrophobicContact CG-CZ2 4.19Å
101	G	93.9	Very high	87	Confident	9 Å²	9	81.7 Å²	81.7	9%	0.093	45%	0.448	C	S	.	.			trans	-69.1	166.4	167	0	0	0	0	0	111.7	Y86 C87 G103	Y86-G101 WeakPolarHBondContact CD1-O 3.45Å; C87-G101 PolarHBondContact O-N 3.33Å; G101-G103 PolarHBondContact O-N 3.29Å; G101-G103 VanDerWaalsContact O-N 3.17Å
102	Q	94	Very high	87.1	Confident	186 Å²	186	81.1 Å²	81.1	87%	0.869	45%	0.452	S	S	*	.			trans	-65.5	-17.5	179.1	-65.2	-62.5	-53.6	0	0	113.7
103	G	95.1	Very high	88	Confident	27 Å²	27	74.7 Å²	74.7	28%	0.278	43%	0.434	S	S	.	.			trans	82.6	151.7	-178.4	0	0	0	0	0	113.2	Y85 Y86 G101	Y85-G103 CarbonylContact O-C 3.45Å; Y85-G103 VanDerWaalsContact O-CA 3.23Å; Y85-G103 WeakPolarHBondContact O-CA 3.37Å; Y86-G103 VanDerWaalsContact CD1-CA 3.43Å; G101-G103 PolarHBondContact O-N 3.29Å; G101-G103 VanDerWaalsContact O-N 3.17Å
104	T	95.9	Very high	89	Confident	65 Å²	65	74.4 Å²	74.4	40%	0.399	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	115.6	174.8	-62.9	0	0	0	0	109.2	L12 T84 Y85 L106	L12-T104 HydrophobicContact CD2-CG2 4.28Å; T84-T104 WeakPolarHBondContact CA-O 3.43Å; Y85-T104 PolarHBondContact N-O 3.23Å; Y85-T104 PolarHBondContact O-N 3.46Å; T104-L106 HydrophobicContact CG2-CD2 4.01Å; T104-L106 HydrophobicContact CG2-CG 4.36Å
105	T	96.3	Very high	89.7	Confident	61 Å²	61	76.6 Å²	76.6	37%	0.374	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	126.7	177.3	-50.9	0	0	0	0	111.2	P1 S2 G83 T84	P1-T105 CarbonylContact C-O 3.51Å; P1-T105 WeakPolarHBondContact CA-O 3.18Å; P1-T105 HydrophobicContact CB-CG2 4.3Å; S2-T105 PolarHBondContact N-O 2.82Å; G83-T105 WeakPolarHBondContact O-CA 3.24Å; T84-T105 PolarHBondContact OG1-OG1 3.02Å
106	L	94	Very high	90.5	Very high	6 Å²	6	73.5 Å²	73.5	3%	0.031	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145.8	177	-58.3	179	0	0	0	110.6	S2 L10 L12 G83 Y85 T104	S2-L106 WeakPolarHBondContact O-CA 3.14Å; L10-L106 HydrophobicContact CD1-CD1 3.38Å; L10-L106 HydrophobicContact CD2-CD1 3.19Å; L10-L106 HydrophobicContact CG-CD1 3.88Å; L12-L106 HydrophobicContact CD1-CD1 4.25Å; L12-L106 HydrophobicContact CD2-CD1 4.18Å; G83-L106 PolarHBondContact N-O 3.39Å; G83-L106 VanDerWaalsContact N-O 3.14Å; G83-L106 PolarHBondContact O-N 3.06Å; Y85-L106 HydrophobicContact CD2-CB 4.39Å; Y85-L106 HydrophobicContact CD2-CD1 3.78Å; Y85-L106 HydrophobicContact CD2-CG 4.09Å; Y85-L106 HydrophobicContact CE2-CB 4.1Å; Y85-L106 HydrophobicContact CE2-CD1 3.67Å; Y85-L106 HydrophobicContact CE2-CG 4.17Å; T104-L106 HydrophobicContact CG2-CD2 4.01Å; T104-L106 HydrophobicContact CG2-CG 4.36Å
107	T	94.7	Very high	91.2	Very high	52 Å²	52	67.5 Å²	67.5	32%	0.319	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.7	175	-55.4	0	0	0	0	108.6	S2 L3 V4 T82	S2-T107 PolarHBondContact O-N 2.93Å; L3-T107 WeakPolarHBondContact CA-O 3.4Å; L3-T107 HydrophobicContact CD1-CG2 4.38Å; V4-T107 PolarHBondContact N-O 2.76Å; T82-T107 HydrophobicContact CG2-CG2 4.41Å
108	V	92.4	Very high	91.5	Very high	8 Å²	8	67.7 Å²	67.7	5%	0.048	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	108.8	175.8	-174.9	0	0	0	0	108.3	V4 P6 V77 T78 T82	V4-V108 HydrophobicContact CB-CG2 4.44Å; V4-V108 WeakPolarHBondContact O-CA 3.39Å; P6-V108 HydrophobicContact CG-CG1 4.2Å; V77-V108 HydrophobicContact CB-CG2 4.27Å; V77-V108 HydrophobicContact CG2-CG1 4.03Å; V77-V108 HydrophobicContact CG2-CG2 4.22Å; T78-V108 WeakPolarHBondContact O-CB 3.37Å; T78-V108 WeakPolarHBondContact O-CG1 3.33Å; T82-V108 PolarHBondContact OG1-N 2.77Å
109	S	89.3	Confident	92	Very high	50 Å²	50	68 Å²	68	35%	0.35	39%	0.385	S	S	.	.			trans	-142.6	152.4	176.6	75.8	0	0	0	0	111.7	L3 V4	L3-S109 VanDerWaalsContact CD1-OG 3.28Å; L3-S109 WeakPolarHBondContact CD1-OG 3.28Å; V4-S109 PolarHBondContact O-N 2.58Å
110	S	76.1	Confident	92.3	Very high	160 Å²	160	65.5 Å²	65.5	100%	1.119	39%	0.386	S	S	*	.			trans	-75.5	0	173	58.5	0	0	0	0	112.1

Retrieved 110 of 110 residues in 23.5 ms (Link to these results)

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