X5J527_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J527, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 aa.

						>X5J527_MOUSE|X5J527
PTLVKPSQTLSLTCSVSGDSITSGYWNWIRQFPGNKLEWMGYINYSGSTSYNPSLKSRISITRDTSKNQFFLQLNSVTPEDTGTYYCARDYYGSSYFDYWGQGTTLTVSS
					

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(Predicted Aligned Error values between residue pairs)

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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	65.1	Low	87.7	Confident	139 Å²	139	81.6 Å²	81.6	90%	0.903	48%	0.476	S	S	*	.				0	122.8	0	-5.7	25.6	0	0	0	110.4	T105	P1-T105 CarbonylContact C-O 3.52Å; P1-T105 WeakPolarHBondContact CA-O 3.45Å; P1-T105 HydrophobicContact CB-CG2 4.3Å
2	T	81.2	Confident	88.3	Confident	77 Å²	77	76 Å²	76	47%	0.472	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	129.5	176	-48.4	0	0	0	0	109.2	V4 T105 L106 T107	T2-V4 HydrophobicContact CG2-CG2 4.38Å; T2-T105 PolarHBondContact N-O 3.47Å; T2-L106 VanDerWaalsContact CB-CD2 3.48Å; T2-L106 HydrophobicContact CG2-CD2 4.36Å; T2-L106 WeakPolarHBondContact O-CA 3.27Å; T2-T107 PolarHBondContact O-N 3.01Å
3	L	85.1	Confident	88.8	Confident	122 Å²	122	75.5 Å²	75.5	64%	0.639	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	127.2	177.5	-168.7	68.6	0	0	0	109.8	T107 S109	L3-T107 WeakPolarHBondContact CA-O 3.2Å; L3-T107 HydrophobicContact CD1-CG2 4.16Å; L3-S109 WeakPolarHBondContact CD1-OG 3.38Å
4	V	87.8	Confident	89.2	Confident	17 Å²	17	70.6 Å²	70.6	10%	0.103	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	141.3	-179.1	-172	0	0	0	0	108.9	T2 Q8 V77 T107 V108 S109	T2-V4 HydrophobicContact CG2-CG2 4.38Å; V4-Q8 HydrophobicContact CG1-CB 3.97Å; V4-V77 HydrophobicContact CG1-CG2 3.89Å; V4-T107 PolarHBondContact N-O 3.42Å; V4-V108 HydrophobicContact CB-CG2 4.45Å; V4-V108 WeakPolarHBondContact O-CA 3.36Å; V4-S109 PolarHBondContact O-N 2.86Å
5	K	89.7	Confident	89.4	Confident	132 Å²	132	70.5 Å²	70.5	57%	0.574	42%	0.418	S	S	*	.			trans	-83.3	150.6	176.3	-66.1	-175.2	177.8	-175.3	0	110.6	Q8 V77	K5-Q8 HydrophobicContact CB-CG 4.19Å; K5-Q8 WeakPolarHBondContact O-CB 3.36Å; K5-Q8 WeakPolarHBondContact O-CG 3.48Å; K5-Q8 PolarHBondContact O-N 3.35Å; K5-V77 WeakPolarHBondContact O-CG2 3.24Å
6	P	92.5	Very high	89.4	Confident	49 Å²	49	66.8 Å²	66.8	32%	0.318	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	153.4	173.3	-25.7	34.4	0	0	0	112.9	Q8 V77 V108	P6-Q8 PolarHBondContact O-N 3.26Å; P6-Q8 VanDerWaalsContact O-N 3.12Å; P6-V77 CarbonylContact C-O 3.44Å; P6-V77 WeakPolarHBondContact CA-O 3.35Å; P6-V108 HydrophobicContact CG-CG1 4.21Å
7	S	91.6	Very high	89.3	Confident	99 Å²	99	68.6 Å²	68.6	69%	0.692	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	1.6	-179.7	-52.2	0	0	0	0	115.6	V77	S7-V77 PolarHBondContact N-O 2.92Å
8	Q	92.1	Very high	89.1	Confident	92 Å²	92	69.8 Å²	69.8	43%	0.43	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-77.9	162.5	172.3	-65.3	-172.3	-45.5	0	0	111.6	V4 K5 P6 S76 V77	V4-Q8 HydrophobicContact CG1-CB 3.97Å; K5-Q8 HydrophobicContact CB-CG 4.19Å; K5-Q8 WeakPolarHBondContact O-CB 3.36Å; K5-Q8 WeakPolarHBondContact O-CG 3.48Å; K5-Q8 PolarHBondContact O-N 3.35Å; P6-Q8 PolarHBondContact O-N 3.26Å; P6-Q8 VanDerWaalsContact O-N 3.12Å; Q8-S76 PolarHBondContact O-N 2.68Å; Q8-V77 HydrophobicContact CB-CG2 4.41Å; Q8-V77 WeakPolarHBondContact O-CG2 3.16Å; Q8-V77 PolarHBondContact O-N 3.34Å
9	T	93.3	Very high	88.9	Confident	74 Å²	74	68.1 Å²	68.1	45%	0.454	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-93.5	125.9	168.5	-66.1	0	0	0	0	109.5	Q73 L74 N75	T9-Q73 HydrophobicContact CG2-CG 3.48Å; T9-Q73 VanDerWaalsContact CG2-CG 3.48Å; T9-L74 WeakPolarHBondContact CA-O 3.5Å; T9-N75 WeakPolarHBondContact CG2-OD1 3.3Å; T9-N75 PolarHBondContact OG1-OD1 3.24Å
10	L	91.9	Very high	88.9	Confident	15 Å²	15	66.8 Å²	66.8	8%	0.079	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	135	170.5	171.6	68.8	0	0	0	109.4	L12 Q73 L74 V77 L106	L10-L12 HydrophobicContact CD1-CD2 4.16Å; L10-L12 HydrophobicContact CD1-CG 4.18Å; L10-L12 HydrophobicContact CD2-CD1 4.07Å; L10-L12 HydrophobicContact CD2-CG 4.17Å; L10-L12 HydrophobicContact CG-CG 4.09Å; L10-Q73 CarbonylContact O-C 3.49Å; L10-Q73 WeakPolarHBondContact O-CA 3.41Å; L10-L74 HydrophobicContact CB-CB 4.34Å; L10-L74 HydrophobicContact CD2-CB 4.44Å; L10-L74 HydrophobicContact CD2-CD2 4.39Å; L10-L74 PolarHBondContact N-O 3.18Å; L10-L74 PolarHBondContact O-N 3.44Å; L10-V77 HydrophobicContact CB-CG1 3.83Å; L10-L106 HydrophobicContact CD1-CD1 3.41Å; L10-L106 VanDerWaalsContact CD1-CD1 3.41Å; L10-L106 HydrophobicContact CD1-CD2 4.33Å; L10-L106 HydrophobicContact CD2-CD1 3.12Å; L10-L106 HydrophobicContact CG-CD1 3.84Å
11	S	94.5	Very high	88.9	Confident	82 Å²	82	63.7 Å²	63.7	57%	0.573	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.8	169.7	-172	0	0	0	0	109.3	L72	S11-L72 CarbonylContact C-O 3.59Å; S11-L72 WeakPolarHBondContact CA-O 3.34Å
12	L	94.9	Very high	90.1	Very high	14 Å²	14	60.3 Å²	60.3	7%	0.073	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	143.5	177.4	-68.4	176	0	0	0	110	L10 W28 F71 L72 Y85 T104 L106	L10-L12 HydrophobicContact CD1-CD2 4.16Å; L10-L12 HydrophobicContact CD1-CG 4.18Å; L10-L12 HydrophobicContact CD2-CD1 4.07Å; L10-L12 HydrophobicContact CD2-CG 4.17Å; L10-L12 HydrophobicContact CG-CG 4.09Å; L12-W28 HydrophobicContact CB-CH2 3.61Å; L12-W28 HydrophobicContact CB-CZ2 4.21Å; L12-W28 HydrophobicContact CB-CZ3 4Å; L12-W28 HydrophobicContact CD1-CZ3 4.06Å; L12-F71 CarbonylContact O-C 3.53Å; L12-F71 WeakPolarHBondContact O-CA 3.32Å; L12-L72 HydrophobicContact CB-CB 4.38Å; L12-L72 HydrophobicContact CD1-CD2 4.33Å; L12-L72 PolarHBondContact N-O 2.77Å; L12-L72 PolarHBondContact O-N 2.8Å; L12-Y85 VanDerWaalsContact CD1-CB 3.46Å; L12-Y85 HydrophobicContact CD1-CD1 3.7Å; L12-Y85 HydrophobicContact CD1-CD2 4.24Å; L12-Y85 HydrophobicContact CD1-CE1 4.48Å; L12-Y85 HydrophobicContact CD1-CG 3.54Å; L12-T104 HydrophobicContact CD2-CG2 4.11Å; L12-L106 HydrophobicContact CD1-CD1 4.16Å; L12-L106 HydrophobicContact CD2-CD1 4.18Å; L12-L106 HydrophobicContact CG-CD1 4.48Å
13	T	95.1	Very high	90.2	Very high	70 Å²	70	59.1 Å²	59.1	43%	0.429	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.8	177.5	-56.9	0	0	0	0	109.2	Q69 F71	T13-Q69 HydrophobicContact CG2-CB 4.38Å; T13-Q69 HydrophobicContact CG2-CG 4.14Å; T13-F71 HydrophobicContact CG2-CD1 3.87Å; T13-F71 HydrophobicContact CG2-CE1 3.48Å; T13-F71 VanDerWaalsContact CG2-CE1 3.48Å; T13-F71 HydrophobicContact CG2-CZ 4.27Å; T13-F71 VanDerWaalsContact OG1-CD1 3.26Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.17Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.21Å
14	C	93.4	Very high	90.2	Very high	6 Å²	6	53.4 Å²	53.4	4%	0.041	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.5	163.6	-175.5	0	0	0	0	109.1	W28 Q69 F70 C87	C14-W28 HydrophobicContact CB-CH2 4.02Å; C14-W28 HydrophobicContact CB-CZ2 4.01Å; C14-Q69 WeakPolarHBondContact O-CA 3.43Å; C14-F70 HydrophobicContact CB-CD1 3.96Å; C14-F70 HydrophobicContact CB-CE1 3.51Å; C14-F70 HydrophobicContact CB-CE2 4.28Å; C14-F70 HydrophobicContact CB-CZ 3.71Å; C14-F70 PolarHBondContact N-O 3.05Å; C14-F70 PolarHBondContact O-N 2.76Å; C14-F70 VanDerWaalsContact SG-CE1 3.57Å; C14-C87 HydrophobicContact CB-CB 3.48Å; C14-C87 VanDerWaalsContact CB-CB 3.48Å; C14-C87 WeakPolarHBondContact CB-SG 3.26Å; C14-C87 WeakPolarHBondContact SG-CB 3.35Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 3.03Å
15	S	92.8	Very high	90.4	Very high	69 Å²	69	54.1 Å²	54.1	48%	0.483	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.5	174.6	-55.1	0	0	0	0	108.5	Q69	S15-Q69 WeakPolarHBondContact OG-CG 3.41Å; S15-Q69 PolarHBondContact OG-NE2 3.44Å
16	V	89.4	Confident	90.5	Very high	12 Å²	12	47.9 Å²	47.9	7%	0.073	32%	0.319	C	S	.	.			trans	-93.7	131.8	-179.4	179	0	0	0	0	109	D19 I21 W26 N68 F70 W100	V16-D19 HydrophobicContact CG1-CB 4.02Å; V16-D19 WeakPolarHBondContact CG1-O 3.37Å; V16-I21 HydrophobicContact CB-CG2 3.98Å; V16-I21 HydrophobicContact CG2-CG2 3.59Å; V16-W26 HydrophobicContact CB-CH2 4.16Å; V16-W26 HydrophobicContact CG1-CH2 3.44Å; V16-W26 VanDerWaalsContact CG1-CH2 3.44Å; V16-W26 HydrophobicContact CG1-CZ2 3.91Å; V16-W26 HydrophobicContact CG1-CZ3 4.17Å; V16-W26 HydrophobicContact CG2-CD2 4.41Å; V16-W26 HydrophobicContact CG2-CE3 3.95Å; V16-W26 HydrophobicContact CG2-CH2 3.57Å; V16-W26 HydrophobicContact CG2-CZ2 4.07Å; V16-W26 HydrophobicContact CG2-CZ3 3.51Å; V16-N68 PolarHBondContact N-O 2.88Å; V16-N68 PolarHBondContact O-ND2 3.08Å; V16-F70 HydrophobicContact CG2-CD1 4.3Å; V16-F70 HydrophobicContact CG2-CE1 4.04Å; V16-W100 HydrophobicContact CG1-CE3 4.11Å; V16-W100 HydrophobicContact CG1-CZ3 4.14Å
17	S	87.8	Confident	90.5	Very high	98 Å²	98	45.8 Å²	45.8	69%	0.685	31%	0.305	S	S	*	.			trans	-125.5	137.7	175.9	56.3	0	0	0	0	110.1	D19 W100	S17-D19 VanDerWaalsContact C-N 3.28Å; S17-D19 PolarHBondContact O-N 2.83Å; S17-W100 WeakPolarHBondContact O-CZ3 3.37Å
18	G	85.6	Confident	90.7	Very high	90 Å²	90	41.4 Å²	41.4	93%	0.928	27%	0.273	S	S	*	.	S	Bend	trans	80.3	3.1	-178.5	0	0	0	0	0	115.3
19	D	85.2	Confident	90.8	Very high	37 Å²	37	37.4 Å²	37.4	20%	0.198	26%	0.255	C	S	.	.	S	Bend	trans	-155.2	171.6	176.7	-179.4	39.6	0	0	0	110.4	V16 S17 S23 W26 N68 R89 W100	V16-D19 HydrophobicContact CG1-CB 4.02Å; V16-D19 WeakPolarHBondContact CG1-O 3.37Å; S17-D19 VanDerWaalsContact C-N 3.28Å; S17-D19 PolarHBondContact O-N 2.83Å; D19-S23 PolarHBondContact OD1-OG 3.34Å; D19-W26 WeakPolarHBondContact OD2-CH2 3.32Å; D19-W26 WeakPolarHBondContact OD2-CZ2 3.37Å; D19-N68 PolarHBondContact O-ND2 3.28Å; D19-R89 IonicContact OD1-CZ 2.63Å; D19-R89 IonicContact OD1-NH1 2.71Å; D19-R89 PolarHBondContact OD1-NH1 3.18Å; D19-R89 IonicContact OD1-NH2 4Å; D19-R89 PolarHBondContact OD1-NH2 2.87Å; D19-R89 WeakPolarHBondContact OD2-CD 3.47Å; D19-R89 IonicContact OD2-CZ 3.73Å; D19-R89 IonicContact OD2-NE 2.9Å; D19-R89 PolarHBondContact OD2-NE 3.01Å; D19-R89 VanDerWaalsContact OD2-NE 3.12Å; D19-R89 IonicContact OD2-NH1 3.67Å; D19-R89 PolarHBondContact OD2-NH1 3.11Å; D19-R89 IonicContact OD2-NH2 3.67Å; D19-R89 PolarHBondContact OD2-NH2 2.83Å; D19-W100 HydrophobicContact CB-CH2 3.39Å; D19-W100 HydrophobicContact CB-CZ2 4.18Å; D19-W100 HydrophobicContact CB-CZ3 3.7Å
20	S	88.3	Confident	90.8	Very high	41 Å²	41	34.3 Å²	34.3	29%	0.287	24%	0.235	S	C	.	.			trans	-112.3	134.7	-179	-177.6	0	0	0	0	113	T22 S23 N68	S20-T22 PolarHBondContact O-N 2.78Å; S20-T22 PolarHBondContact OG-N 2.76Å; S20-T22 PolarHBondContact OG-OG1 3.48Å; S20-S23 WeakPolarHBondContact O-CB 3.16Å; S20-S23 PolarHBondContact O-N 2.86Å; S20-S23 VanDerWaalsContact O-N 3.11Å; S20-S23 PolarHBondContact O-OG 3.12Å; S20-N68 WeakPolarHBondContact CA-OD1 3.35Å
21	I	89.8	Confident	91	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.015	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-12.7	172.8	67.4	170.8	0	0	0	113.7	V16 W26 R63 T65 N68 Q69 F70	V16-I21 HydrophobicContact CB-CG2 3.98Å; V16-I21 HydrophobicContact CG2-CG2 3.59Å; I21-W26 VanDerWaalsContact CA-NE1 3.27Å; I21-W26 PolarHBondContact O-NE1 3.14Å; I21-R63 HydrophobicContact CD1-CB 3.93Å; I21-T65 HydrophobicContact CD1-CG2 4.02Å; I21-T65 HydrophobicContact CG1-CG2 4.24Å; I21-N68 WeakPolarHBondContact CG2-OD1 3.39Å; I21-N68 PolarHBondContact N-OD1 3.5Å; I21-Q69 VanDerWaalsContact CD1-O 3.23Å; I21-Q69 WeakPolarHBondContact CD1-O 3.17Å; I21-F70 HydrophobicContact CG2-CD1 4.24Å
22	T	89.6	Confident	91	Very high	68 Å²	68	33.7 Å²	33.7	42%	0.417	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	11.4	178.5	63.6	0	0	0	0	113.8	S20 Y45 T65	S20-T22 PolarHBondContact O-N 2.78Å; S20-T22 PolarHBondContact OG-N 2.76Å; S20-T22 PolarHBondContact OG-OG1 3.48Å; T22-Y45 VanDerWaalsContact C-CB 3.49Å; T22-Y45 WeakPolarHBondContact O-CB 3.39Å; T22-T65 HydrophobicContact CG2-CG2 3.58Å
23	S	83.9	Confident	90.7	Very high	51 Å²	51	38 Å²	38	36%	0.357	25%	0.25	S	S	.	.	S	Bend	trans	-113.1	-2.7	-174.3	70.5	0	0	0	0	115.1	D19 S20 R89	D19-S23 PolarHBondContact OD1-OG 3.34Å; S20-S23 WeakPolarHBondContact O-CB 3.16Å; S20-S23 PolarHBondContact O-N 2.86Å; S20-S23 VanDerWaalsContact O-N 3.11Å; S20-S23 PolarHBondContact O-OG 3.12Å; S23-R89 PolarHBondContact OG-NH2 3.05Å
24	G	85.6	Confident	90.5	Very high	3 Å²	3	38.1 Å²	38.1	3%	0.031	27%	0.265	C	S	.	.	S	Bend	trans	-169	-155.7	-173.2	0	0	0	0	0	114.7	N44 Y45	G24-N44 CarbonylContact O-C 3.58Å; G24-N44 WeakPolarHBondContact O-CA 3.45Å; G24-Y45 PolarHBondContact O-N 2.89Å
25	Y	90.6	Very high	90.2	Very high	31 Å²	31	43.8 Å²	43.8	12%	0.122	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.9	178	-65.9	-103.8	0	0	0	109.5	N27 Y42 N44 R89 D90 Y92	Y25-N27 PolarHBondContact O-ND2 2.87Å; Y25-Y42 HydrophobicContact CD1-CD1 4.46Å; Y25-Y42 AromaticContact CD1-CD2 3.73Å; Y25-Y42 HydrophobicContact CD1-CD2 3.73Å; Y25-Y42 HydrophobicContact CD1-CE1 4.4Å; Y25-Y42 AromaticContact CD1-CE2 3.65Å; Y25-Y42 HydrophobicContact CD1-CE2 3.65Å; Y25-Y42 HydrophobicContact CD1-CG 4.2Å; Y25-Y42 HydrophobicContact CE1-CD2 4.39Å; Y25-Y42 AromaticContact CE1-CE2 3.85Å; Y25-Y42 HydrophobicContact CE1-CE2 3.85Å; Y25-N44 HydrophobicContact CD1-CB 3.58Å; Y25-N44 HydrophobicContact CE1-CB 3.52Å; Y25-N44 HydrophobicContact CG-CB 4.21Å; Y25-R89 CarbonylContact O-C 3.5Å; Y25-R89 WeakPolarHBondContact O-CA 3.46Å; Y25-D90 PolarHBondContact N-O 2.74Å; Y25-D90 PolarHBondContact O-N 2.82Å; Y25-Y92 AromaticContact CE2-CD2 3.79Å; Y25-Y92 HydrophobicContact CE2-CD2 3.79Å; Y25-Y92 HydrophobicContact CE2-CG 4.42Å; Y25-Y92 AromaticContact CZ-CD2 3.79Å; Y25-Y92 VanDerWaalsContact OH-CD2 3.25Å; Y25-Y92 WeakPolarHBondContact OH-CD2 3.5Å
26	W	91.9	Very high	90.1	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.008	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.7	-178.7	-66.6	91.3	0	0	0	109.6	V16 D19 I21 Y42 I43 F70 R89 W100	V16-W26 HydrophobicContact CB-CH2 4.16Å; V16-W26 HydrophobicContact CG1-CH2 3.44Å; V16-W26 VanDerWaalsContact CG1-CH2 3.44Å; V16-W26 HydrophobicContact CG1-CZ2 3.91Å; V16-W26 HydrophobicContact CG1-CZ3 4.17Å; V16-W26 HydrophobicContact CG2-CD2 4.41Å; V16-W26 HydrophobicContact CG2-CE3 3.95Å; V16-W26 HydrophobicContact CG2-CH2 3.57Å; V16-W26 HydrophobicContact CG2-CZ2 4.07Å; V16-W26 HydrophobicContact CG2-CZ3 3.51Å; D19-W26 WeakPolarHBondContact OD2-CH2 3.32Å; D19-W26 WeakPolarHBondContact OD2-CZ2 3.37Å; I21-W26 VanDerWaalsContact CA-NE1 3.27Å; I21-W26 PolarHBondContact O-NE1 3.14Å; W26-Y42 CarbonylContact O-C 3.55Å; W26-Y42 WeakPolarHBondContact O-CA 3.46Å; W26-Y42 WeakPolarHBondContact O-CB 3.44Å; W26-I43 HydrophobicContact CB-CG2 4.26Å; W26-I43 PolarHBondContact N-O 3.28Å; W26-I43 PolarHBondContact O-N 3.27Å; W26-F70 HydrophobicContact CB-CD1 4.14Å; W26-F70 HydrophobicContact CB-CD2 4.14Å; W26-F70 HydrophobicContact CB-CE1 3.91Å; W26-F70 HydrophobicContact CB-CE2 3.93Å; W26-F70 HydrophobicContact CB-CG 4.23Å; W26-F70 HydrophobicContact CB-CZ 3.77Å; W26-F70 HydrophobicContact CD2-CD1 4.48Å; W26-F70 AromaticContact CD2-CE1 3.99Å; W26-F70 HydrophobicContact CD2-CE1 3.99Å; W26-F70 HydrophobicContact CD2-CZ 4.45Å; W26-F70 HydrophobicContact CE3-CD1 4.44Å; W26-F70 AromaticContact CE3-CE1 3.56Å; W26-F70 HydrophobicContact CE3-CE1 3.56Å; W26-F70 AromaticContact CE3-CZ 3.94Å; W26-F70 HydrophobicContact CE3-CZ 3.94Å; W26-F70 HydrophobicContact CG-CD1 4.36Å; W26-F70 HydrophobicContact CG-CE1 4.15Å; W26-F70 HydrophobicContact CG-CZ 4.43Å; W26-F70 HydrophobicContact CZ3-CE1 4.4Å; W26-R89 HydrophobicContact CD2-CG 4.43Å; W26-R89 HydrophobicContact CE3-CB 4.05Å; W26-R89 HydrophobicContact CE3-CG 4.4Å; W26-R89 HydrophobicContact CH2-CB 3.99Å; W26-R89 HydrophobicContact CH2-CG 3.98Å; W26-R89 HydrophobicContact CZ2-CB 4.47Å; W26-R89 HydrophobicContact CZ2-CG 3.99Å; W26-R89 HydrophobicContact CZ3-CB 3.76Å; W26-R89 HydrophobicContact CZ3-CG 4.18Å; W26-W100 AromaticContact CH2-CD2 3.95Å; W26-W100 HydrophobicContact CH2-CD2 3.95Å; W26-W100 HydrophobicContact CH2-CE3 4.13Å; W26-W100 HydrophobicContact CH2-CG 4.18Å; W26-W100 HydrophobicContact CZ3-CB 3.9Å; W26-W100 HydrophobicContact CZ3-CD2 4.01Å; W26-W100 HydrophobicContact CZ3-CE3 4.4Å; W26-W100 AromaticContact CZ3-CG 3.76Å; W26-W100 HydrophobicContact CZ3-CG 3.76Å
27	N	93.4	Very high	90.3	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.027	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	145.9	-167	-66	-92.3	0	0	0	110.3	Y25 W39 G41 Y42 C87 A88 F97	Y25-N27 PolarHBondContact O-ND2 2.87Å; N27-W39 PolarHBondContact OD1-NE1 2.98Å; N27-G41 WeakPolarHBondContact CA-O 3.49Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.45Å; N27-C87 WeakPolarHBondContact O-CA 3.35Å; N27-A88 HydrophobicContact CB-CB 4.32Å; N27-A88 PolarHBondContact N-O 3.3Å; N27-A88 PolarHBondContact O-N 2.71Å; N27-F97 HydrophobicContact CB-CD1 4.45Å; N27-F97 HydrophobicContact CB-CE1 4.15Å; N27-F97 VanDerWaalsContact CG-CE1 3.48Å; N27-F97 WeakPolarHBondContact ND2-CE1 3.4Å
28	W	94.9	Very high	90.6	Very high	7 Å²	7	47.9 Å²	47.9	3%	0.027	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.2	164.8	-77.4	100.7	0	0	0	109.8	L12 C14 M40 G41 F70 L72	L12-W28 HydrophobicContact CB-CH2 3.61Å; L12-W28 HydrophobicContact CB-CZ2 4.21Å; L12-W28 HydrophobicContact CB-CZ3 4Å; L12-W28 HydrophobicContact CD1-CZ3 4.06Å; C14-W28 HydrophobicContact CB-CH2 4.02Å; C14-W28 HydrophobicContact CB-CZ2 4.01Å; W28-M40 HydrophobicContact CB-CB 4.15Å; W28-M40 WeakPolarHBondContact O-CB 3.33Å; W28-M40 PolarHBondContact O-N 2.83Å; W28-G41 PolarHBondContact N-O 2.95Å; W28-F70 AromaticContact CD1-CD2 3.98Å; W28-F70 AromaticContact CD1-CE2 3.74Å; W28-F70 HydrophobicContact CD2-CE2 4.28Å; W28-F70 AromaticContact CE2-CD2 3.91Å; W28-F70 AromaticContact CE2-CE2 3.63Å; W28-F70 HydrophobicContact CG-CE2 4.36Å; W28-F70 HydrophobicContact CZ2-CD2 4.27Å; W28-F70 HydrophobicContact CZ2-CE2 4.1Å; W28-F70 AromaticContact NE1-CD2 3.26Å; W28-F70 VanDerWaalsContact NE1-CD2 3.26Å; W28-F70 AromaticContact NE1-CE2 3.26Å; W28-F70 VanDerWaalsContact NE1-CE2 3.26Å; W28-L72 HydrophobicContact CB-CD2 4.15Å; W28-L72 HydrophobicContact CD2-CB 3.65Å; W28-L72 HydrophobicContact CD2-CD2 3.92Å; W28-L72 HydrophobicContact CD2-CG 4.39Å; W28-L72 VanDerWaalsContact CE2-CB 3.42Å; W28-L72 HydrophobicContact CE3-CB 4.31Å; W28-L72 HydrophobicContact CE3-CD2 4.07Å; W28-L72 HydrophobicContact CG-CB 3.86Å; W28-L72 HydrophobicContact CG-CD2 3.97Å; W28-L72 HydrophobicContact CG-CG 4.35Å; W28-L72 HydrophobicContact CZ2-CB 3.91Å
29	I	94.5	Very high	91.1	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.041	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.3	179.3	-56.7	173.7	0	0	0	108.1	L37 E38 Y85 Y86 A88 F97	I29-L37 HydrophobicContact CG2-CB 4.24Å; I29-L37 HydrophobicContact CG2-CD2 4.03Å; I29-E38 WeakPolarHBondContact CA-O 3.43Å; I29-Y85 CarbonylContact O-C 3.58Å; I29-Y85 WeakPolarHBondContact O-CA 3.42Å; I29-Y86 PolarHBondContact N-O 2.63Å; I29-Y86 PolarHBondContact O-N 3.02Å; I29-A88 HydrophobicContact CD1-CB 3.81Å; I29-F97 HydrophobicContact CD1-CD2 4.26Å; I29-F97 HydrophobicContact CD1-CG 4.3Å
30	R	94.7	Very high	91.6	Very high	9 Å²	9	45.5 Å²	45.5	3%	0.034	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	133.3	170.9	176.8	168.6	66.7	-174.9	12.1	109.9	F32 L37 E38 M40 D81 T84 Y85	R30-F32 VanDerWaalsContact NE-CZ 3.34Å; R30-F32 VanDerWaalsContact NH2-CZ 3.33Å; R30-L37 CarbonylContact O-C 3.58Å; R30-L37 WeakPolarHBondContact O-CA 3.36Å; R30-E38 IonicContact CZ-OE2 3.68Å; R30-E38 PolarHBondContact N-O 3.42Å; R30-E38 IonicContact NE-OE2 2.77Å; R30-E38 PolarHBondContact NE-OE2 2.94Å; R30-E38 IonicContact NH2-OE1 3.1Å; R30-E38 IonicContact NH2-OE2 3.64Å; R30-E38 PolarHBondContact NH2-OE2 2.92Å; R30-E38 PolarHBondContact O-N 3.5Å; R30-M40 HydrophobicContact CB-CG 4.21Å; R30-M40 HydrophobicContact CB-SD 3.9Å; R30-D81 IonicContact CZ-OD1 3.35Å; R30-D81 VanDerWaalsContact NH1-CA 3.26Å; R30-D81 IonicContact NH1-OD1 2.74Å; R30-D81 PolarHBondContact NH1-OD1 2.9Å; R30-D81 IonicContact NH2-OD1 2.98Å; R30-T84 CarbonylContact C-O 3.55Å; R30-Y85 HydrophobicContact CB-CD1 4.31Å; R30-Y85 HydrophobicContact CB-CE1 4.2Å; R30-Y85 WeakPolarHBondContact CD-OH 3.37Å; R30-Y85 HydrophobicContact CG-CE1 4.22Å; R30-Y85 HydrophobicContact CG-CE2 4.37Å; R30-Y85 PolarHBondContact NH1-OH 2.74Å
31	Q	94.8	Very high	91.9	Very high	41 Å²	41	43.6 Å²	43.6	19%	0.192	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.8	169.4	-172.9	179.3	39.4	0	0	109.4	N35 K36 L37 G83 T84 Y86	Q31-N35 PolarHBondContact NE2-OD1 3.06Å; Q31-K36 CarbonylContact C-O 3.47Å; Q31-K36 WeakPolarHBondContact CA-O 3.32Å; Q31-L37 HydrophobicContact CB-CD2 3.65Å; Q31-L37 HydrophobicContact CG-CD2 3.75Å; Q31-G83 CarbonylContact O-C 3.45Å; Q31-G83 WeakPolarHBondContact O-CA 3.38Å; Q31-T84 PolarHBondContact N-O 2.91Å; Q31-T84 PolarHBondContact O-N 3.48Å; Q31-Y86 HydrophobicContact CB-CD2 4.25Å; Q31-Y86 HydrophobicContact CB-CE2 3.6Å; Q31-Y86 HydrophobicContact CG-CE2 4.47Å; Q31-Y86 PolarHBondContact OE1-OH 2.89Å
32	F	93.9	Very high	92.2	Very high	43 Å²	43	46.4 Å²	46.4	19%	0.189	25%	0.253	C	S	.	.			trans	-76.8	159.6	175	-64.1	-82.6	0	0	0	111.5	R30 G34 N35 K36 E38 E80	R30-F32 VanDerWaalsContact NE-CZ 3.34Å; R30-F32 VanDerWaalsContact NH2-CZ 3.33Å; F32-G34 PolarHBondContact O-N 2.96Å; F32-N35 PolarHBondContact O-N 2.88Å; F32-K36 HydrophobicContact CB-CB 4.4Å; F32-K36 HydrophobicContact CD2-CB 4.18Å; F32-K36 HydrophobicContact CD2-CD 4.24Å; F32-K36 HydrophobicContact CD2-CG 4.2Å; F32-K36 WeakPolarHBondContact CD2-O 3.28Å; F32-K36 PolarHBondContact N-O 3.03Å; F32-E38 HydrophobicContact CE2-CB 3.72Å; F32-E38 HydrophobicContact CZ-CB 4.42Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.46Å; F32-E80 WeakPolarHBondContact CE1-O 3.46Å
33	P	88.9	Confident	92.4	Very high	104 Å²	104	43.6 Å²	43.6	68%	0.675	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.3	128.2	160.3	-23.7	34.2	0	0	0	109.9	T82	P33-T82 HydrophobicContact CG-CG2 4.42Å
34	G	90.6	Very high	92.8	Very high	72 Å²	72	41.8 Å²	41.8	74%	0.742	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.7	14	-172.3	0	0	0	0	0	115.2	F32 K36	F32-G34 PolarHBondContact O-N 2.96Å; G34-K36 VanDerWaalsContact C-N 3.25Å; G34-K36 PolarHBondContact O-N 2.87Å
35	N	87.2	Confident	93	Very high	125 Å²	125	47.7 Å²	47.7	67%	0.668	24%	0.244	S	C	*	.	S	Bend	trans	67.4	9.4	169.8	-59.4	-41.3	0	0	0	116.7	Q31 F32 L37	Q31-N35 PolarHBondContact NE2-OD1 3.06Å; F32-N35 PolarHBondContact O-N 2.88Å; N35-L37 PolarHBondContact O-N 2.85Å
36	K	92.7	Very high	93.1	Very high	146 Å²	146	49.5 Å²	49.5	64%	0.635	26%	0.261	S	S	*	.			trans	-67.3	130	170.7	-177.7	-177.1	177	-172.9	0	109.7	Q31 F32 G34	Q31-K36 CarbonylContact C-O 3.47Å; Q31-K36 WeakPolarHBondContact CA-O 3.32Å; F32-K36 HydrophobicContact CB-CB 4.4Å; F32-K36 HydrophobicContact CD2-CB 4.18Å; F32-K36 HydrophobicContact CD2-CD 4.24Å; F32-K36 HydrophobicContact CD2-CG 4.2Å; F32-K36 WeakPolarHBondContact CD2-O 3.28Å; F32-K36 PolarHBondContact N-O 3.03Å; G34-K36 VanDerWaalsContact C-N 3.25Å; G34-K36 PolarHBondContact O-N 2.87Å
37	L	92.7	Very high	93.1	Very high	82 Å²	82	50.9 Å²	50.9	43%	0.429	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	143.9	175.3	-62	175.1	0	0	0	111	I29 R30 Q31 N35	I29-L37 HydrophobicContact CG2-CB 4.24Å; I29-L37 HydrophobicContact CG2-CD2 4.03Å; R30-L37 CarbonylContact O-C 3.58Å; R30-L37 WeakPolarHBondContact O-CA 3.36Å; Q31-L37 HydrophobicContact CB-CD2 3.65Å; Q31-L37 HydrophobicContact CG-CD2 3.75Å; N35-L37 PolarHBondContact O-N 2.85Å
38	E	94.7	Very high	93.2	Very high	38 Å²	38	53.6 Å²	53.6	18%	0.178	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	119.9	171.5	175.3	179.5	-122	0	0	109.2	I29 R30 F32 L55	I29-E38 WeakPolarHBondContact CA-O 3.43Å; R30-E38 IonicContact CZ-OE2 3.68Å; R30-E38 PolarHBondContact N-O 3.42Å; R30-E38 IonicContact NE-OE2 2.77Å; R30-E38 PolarHBondContact NE-OE2 2.94Å; R30-E38 IonicContact NH2-OE1 3.1Å; R30-E38 IonicContact NH2-OE2 3.64Å; R30-E38 PolarHBondContact NH2-OE2 2.92Å; R30-E38 PolarHBondContact O-N 3.5Å; F32-E38 HydrophobicContact CE2-CB 3.72Å; F32-E38 HydrophobicContact CZ-CB 4.42Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.46Å; E38-L55 HydrophobicContact CG-CD1 4.48Å
39	W	94.5	Very high	93.2	Very high	77 Å²	77	56.1 Å²	56.1	29%	0.292	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	128.9	168.7	175.7	80.3	0	0	0	109.1	N27 G41 Y42 N52	N27-W39 PolarHBondContact OD1-NE1 2.98Å; W39-G41 VanDerWaalsContact CE2-CA 3.5Å; W39-G41 PolarHBondContact NE1-O 2.6Å; W39-Y42 HydrophobicContact CH2-CD1 4.48Å; W39-Y42 AromaticContact CZ2-CD1 3.59Å; W39-Y42 HydrophobicContact CZ2-CD1 3.59Å; W39-Y42 HydrophobicContact CZ2-CE1 4.26Å; W39-Y42 HydrophobicContact CZ2-CG 4.38Å; W39-N52 HydrophobicContact CE3-CB 4Å; W39-N52 HydrophobicContact CZ3-CB 4.13Å; W39-N52 VanDerWaalsContact CZ3-N 3.34Å; W39-N52 VanDerWaalsContact O-CB 3.28Å; W39-N52 WeakPolarHBondContact O-CB 3.47Å; W39-N52 PolarHBondContact O-ND2 2.78Å
40	M	95.8	Very high	93.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-39.5	-178.2	-58.6	-174.9	72.6	0	0	111.6	W28 R30 N52 L55 I59 L72 L74 Y85	W28-M40 HydrophobicContact CB-CB 4.15Å; W28-M40 WeakPolarHBondContact O-CB 3.33Å; W28-M40 PolarHBondContact O-N 2.83Å; R30-M40 HydrophobicContact CB-CG 4.21Å; R30-M40 HydrophobicContact CB-SD 3.9Å; M40-N52 WeakPolarHBondContact O-CB 3.43Å; M40-N52 PolarHBondContact O-N 3.32Å; M40-L55 HydrophobicContact CB-CD1 4.11Å; M40-L55 HydrophobicContact CE-CD1 4.05Å; M40-L55 HydrophobicContact CG-CD1 3.93Å; M40-I59 HydrophobicContact CB-CD1 4.43Å; M40-I59 HydrophobicContact CE-CG2 4.02Å; M40-I59 WeakPolarHBondContact O-CD1 3.09Å; M40-L72 HydrophobicContact CE-CD1 4.4Å; M40-L72 HydrophobicContact CE-CD2 3.76Å; M40-L72 HydrophobicContact SD-CD2 3.67Å; M40-L74 HydrophobicContact CE-CD2 4.45Å; M40-Y85 HydrophobicContact CE-CD1 4.48Å; M40-Y85 HydrophobicContact CE-CE1 3.86Å; M40-Y85 HydrophobicContact SD-CD1 3.7Å; M40-Y85 HydrophobicContact SD-CE1 3.58Å; M40-Y85 VanDerWaalsContact SD-CE1 3.58Å
41	G	95.5	Very high	93.4	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.9	174	-175.2	0	0	0	0	0	112	N27 W28 W39 S50 I61	N27-G41 WeakPolarHBondContact CA-O 3.49Å; W28-G41 PolarHBondContact N-O 2.95Å; W39-G41 VanDerWaalsContact CE2-CA 3.5Å; W39-G41 PolarHBondContact NE1-O 2.6Å; G41-S50 CarbonylContact C-O 3.53Å; G41-S50 WeakPolarHBondContact CA-O 3.36Å; G41-I61 VanDerWaalsContact C-CD1 3.44Å
42	Y	94.9	Very high	93.4	Very high	63 Å²	63	58.9 Å²	58.9	25%	0.247	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	162.1	171.1	72.3	-112.9	0	0	0	112.6	Y25 W26 N27 W39 N44 T49 S50	Y25-Y42 HydrophobicContact CD1-CD1 4.46Å; Y25-Y42 AromaticContact CD1-CD2 3.73Å; Y25-Y42 HydrophobicContact CD1-CD2 3.73Å; Y25-Y42 HydrophobicContact CD1-CE1 4.4Å; Y25-Y42 AromaticContact CD1-CE2 3.65Å; Y25-Y42 HydrophobicContact CD1-CE2 3.65Å; Y25-Y42 HydrophobicContact CD1-CG 4.2Å; Y25-Y42 HydrophobicContact CE1-CD2 4.39Å; Y25-Y42 AromaticContact CE1-CE2 3.85Å; Y25-Y42 HydrophobicContact CE1-CE2 3.85Å; W26-Y42 CarbonylContact O-C 3.55Å; W26-Y42 WeakPolarHBondContact O-CA 3.46Å; W26-Y42 WeakPolarHBondContact O-CB 3.44Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.45Å; W39-Y42 HydrophobicContact CH2-CD1 4.48Å; W39-Y42 AromaticContact CZ2-CD1 3.59Å; W39-Y42 HydrophobicContact CZ2-CD1 3.59Å; W39-Y42 HydrophobicContact CZ2-CE1 4.26Å; W39-Y42 HydrophobicContact CZ2-CG 4.38Å; Y42-N44 HydrophobicContact CD2-CB 4.34Å; Y42-N44 HydrophobicContact CE2-CB 4.17Å; Y42-T49 VanDerWaalsContact O-CA 3.25Å; Y42-T49 WeakPolarHBondContact O-CA 3.34Å; Y42-S50 VanDerWaalsContact CZ-CB 3.4Å; Y42-S50 PolarHBondContact N-O 2.88Å; Y42-S50 PolarHBondContact O-N 2.87Å; Y42-S50 VanDerWaalsContact O-N 3.1Å
43	I	95.3	Very high	93.5	Very high	8 Å²	8	62.1 Å²	62.1	4%	0.041	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.4	159.4	-170.3	161.8	0	0	0	109.2	W26 S48 T49 I61 R63 F70	W26-I43 HydrophobicContact CB-CG2 4.26Å; W26-I43 PolarHBondContact N-O 3.28Å; W26-I43 PolarHBondContact O-N 3.27Å; I43-S48 WeakPolarHBondContact CA-O 3.38Å; I43-T49 HydrophobicContact CB-CG2 4Å; I43-T49 HydrophobicContact CD1-CG2 3.96Å; I43-T49 HydrophobicContact CG1-CG2 3.89Å; I43-I61 HydrophobicContact CB-CG2 3.72Å; I43-I61 HydrophobicContact CG2-CG2 3.7Å; I43-R63 HydrophobicContact CD1-CB 4.01Å; I43-R63 HydrophobicContact CD1-CG 3.74Å; I43-F70 HydrophobicContact CG2-CB 4.24Å; I43-F70 HydrophobicContact CG2-CD2 4.41Å
44	N	92.6	Very high	93.7	Very high	14 Å²	14	61.7 Å²	61.7	8%	0.075	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	177.1	-178.9	77.2	-2.5	0	0	0	111.9	G24 Y25 Y42 S46 G47 S48 R63	G24-N44 CarbonylContact O-C 3.58Å; G24-N44 WeakPolarHBondContact O-CA 3.45Å; Y25-N44 HydrophobicContact CD1-CB 3.58Å; Y25-N44 HydrophobicContact CE1-CB 3.52Å; Y25-N44 HydrophobicContact CG-CB 4.21Å; Y42-N44 HydrophobicContact CD2-CB 4.34Å; Y42-N44 HydrophobicContact CE2-CB 4.17Å; N44-S46 VanDerWaalsContact CG-OG 3.31Å; N44-S46 PolarHBondContact ND2-OG 3.09Å; N44-S46 PolarHBondContact O-N 3.12Å; N44-S46 WeakPolarHBondContact OD1-CA 3.42Å; N44-S46 PolarHBondContact OD1-N 3.43Å; N44-S46 PolarHBondContact OD1-OG 3.07Å; N44-G47 WeakPolarHBondContact O-CA 3.39Å; N44-G47 PolarHBondContact O-N 2.71Å; N44-G47 PolarHBondContact OD1-N 2.9Å; N44-S48 PolarHBondContact N-O 2.87Å; N44-S48 WeakPolarHBondContact OD1-CB 3.23Å; N44-S48 PolarHBondContact OD1-N 3.47Å; N44-S48 PolarHBondContact OD1-O 2.77Å; N44-R63 PolarHBondContact O-NH1 2.97Å
45	Y	89.7	Confident	93.8	Very high	127 Å²	127	58.5 Å²	58.5	50%	0.498	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.8	177.6	66.7	-88.8	0	0	0	114.6	T22 G24 G47 R63	T22-Y45 VanDerWaalsContact C-CB 3.49Å; T22-Y45 WeakPolarHBondContact O-CB 3.39Å; G24-Y45 PolarHBondContact O-N 2.89Å; Y45-G47 VanDerWaalsContact C-N 3.33Å; Y45-R63 VanDerWaalsContact O-CZ 3.25Å; Y45-R63 PolarHBondContact O-NH1 2.87Å; Y45-R63 PolarHBondContact O-NH2 2.9Å
46	S	91.7	Very high	94.1	Very high	69 Å²	69	59.1 Å²	59.1	48%	0.483	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-7.8	173.4	62.5	0	0	0	0	113.4	N44 S48 R63	N44-S46 VanDerWaalsContact CG-OG 3.31Å; N44-S46 PolarHBondContact ND2-OG 3.09Å; N44-S46 PolarHBondContact O-N 3.12Å; N44-S46 WeakPolarHBondContact OD1-CA 3.42Å; N44-S46 PolarHBondContact OD1-N 3.43Å; N44-S46 PolarHBondContact OD1-OG 3.07Å; S46-S48 PolarHBondContact OG-OG 2.9Å; S46-S48 VanDerWaalsContact OG-OG 3.09Å; S46-R63 PolarHBondContact O-NH2 2.99Å
47	G	92.8	Very high	94.3	Very high	30 Å²	30	57.6 Å²	57.6	31%	0.309	32%	0.323	S	S	.	.	S	Bend	trans	88.3	5.7	-178.3	0	0	0	0	0	113.3	N44 Y45 R63	N44-G47 WeakPolarHBondContact O-CA 3.39Å; N44-G47 PolarHBondContact O-N 2.71Å; N44-G47 PolarHBondContact OD1-N 2.9Å; Y45-G47 VanDerWaalsContact C-N 3.33Å; G47-R63 VanDerWaalsContact CA-CZ 3.43Å; G47-R63 VanDerWaalsContact N-CZ 3.29Å
48	S	94.6	Very high	94.4	Very high	63 Å²	63	56.3 Å²	56.3	44%	0.441	31%	0.312	S	S	.	.			trans	-71.9	137.4	173.2	-52	0	0	0	0	109.9	I43 N44 S46	I43-S48 WeakPolarHBondContact CA-O 3.38Å; N44-S48 PolarHBondContact N-O 2.87Å; N44-S48 WeakPolarHBondContact OD1-CB 3.23Å; N44-S48 PolarHBondContact OD1-N 3.47Å; N44-S48 PolarHBondContact OD1-O 2.77Å; S46-S48 PolarHBondContact OG-OG 2.9Å; S46-S48 VanDerWaalsContact OG-OG 3.09Å
49	T	96	Very high	94.5	Very high	59 Å²	59	55 Å²	55	36%	0.362	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	148.1	-177.6	49.7	0	0	0	0	111.8	Y42 I43 Y51 I61	Y42-T49 VanDerWaalsContact O-CA 3.25Å; Y42-T49 WeakPolarHBondContact O-CA 3.34Å; I43-T49 HydrophobicContact CB-CG2 4Å; I43-T49 HydrophobicContact CD1-CG2 3.96Å; I43-T49 HydrophobicContact CG1-CG2 3.89Å; T49-Y51 PolarHBondContact OG1-OH 3.44Å; T49-I61 HydrophobicContact CG2-CB 4.38Å
50	S	95.4	Very high	94.6	Very high	41 Å²	41	53.1 Å²	53.1	29%	0.287	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	149.1	166.4	-170.2	0	0	0	0	108.8	G41 Y42	G41-S50 CarbonylContact C-O 3.53Å; G41-S50 WeakPolarHBondContact CA-O 3.36Å; Y42-S50 VanDerWaalsContact CZ-CB 3.4Å; Y42-S50 PolarHBondContact N-O 2.88Å; Y42-S50 PolarHBondContact O-N 2.87Å; Y42-S50 VanDerWaalsContact O-N 3.1Å
51	Y	96.4	Very high	94.7	Very high	48 Å²	48	53.4 Å²	53.4	19%	0.188	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	148.3	-171.2	-59.3	-65.5	0	0	0	110.3	T49 P53 K56 I59 I61	T49-Y51 PolarHBondContact OG1-OH 3.44Å; Y51-P53 WeakPolarHBondContact O-CD 3.48Å; Y51-K56 HydrophobicContact CD2-CG 4.1Å; Y51-K56 HydrophobicContact CG-CG 4.38Å; Y51-I59 HydrophobicContact CD1-CD1 3.47Å; Y51-I59 VanDerWaalsContact CD1-CD1 3.47Å; Y51-I59 HydrophobicContact CD1-CG1 3.58Å; Y51-I59 HydrophobicContact CE1-CD1 4.31Å; Y51-I59 HydrophobicContact CE1-CG1 4.08Å; Y51-I59 HydrophobicContact CG-CD1 4.14Å; Y51-I59 HydrophobicContact CG-CG1 4.23Å; Y51-I61 HydrophobicContact CD1-CD1 4.16Å; Y51-I61 HydrophobicContact CE1-CB 4.15Å; Y51-I61 HydrophobicContact CE1-CD1 3.97Å; Y51-I61 HydrophobicContact CE1-CG1 3.92Å; Y51-I61 PolarHBondContact OH-N 2.78Å
52	N	95.6	Very high	94.7	Very high	27 Å²	27	56.6 Å²	56.6	14%	0.144	33%	0.326	C	S	.	.			trans	-61.5	124.5	164.4	-176.7	-31.1	0	0	0	109	W39 M40 S54 L55 K56	W39-N52 HydrophobicContact CE3-CB 4Å; W39-N52 HydrophobicContact CZ3-CB 4.13Å; W39-N52 VanDerWaalsContact CZ3-N 3.34Å; W39-N52 VanDerWaalsContact O-CB 3.28Å; W39-N52 WeakPolarHBondContact O-CB 3.47Å; W39-N52 PolarHBondContact O-ND2 2.78Å; M40-N52 WeakPolarHBondContact O-CB 3.43Å; M40-N52 PolarHBondContact O-N 3.32Å; N52-S54 PolarHBondContact O-N 3.11Å; N52-S54 VanDerWaalsContact O-N 3.11Å; N52-S54 PolarHBondContact OD1-N 3.06Å; N52-L55 HydrophobicContact CB-CB 4.4Å; N52-L55 HydrophobicContact CB-CD1 4.29Å; N52-L55 HydrophobicContact CB-CG 4.47Å; N52-L55 PolarHBondContact O-N 2.97Å; N52-K56 PolarHBondContact O-N 2.92Å
53	P	95.2	Very high	94.7	Very high	111 Å²	111	57 Å²	57	72%	0.721	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-36.5	-178.1	-29	35.7	0	0	0	113.9	Y51 L55	Y51-P53 WeakPolarHBondContact O-CD 3.48Å; P53-L55 PolarHBondContact O-N 3.25Å
54	S	93	Very high	94.7	Very high	95 Å²	95	58.5 Å²	58.5	66%	0.664	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-20.4	179.8	-59.3	0	0	0	0	113.7	N52	N52-S54 PolarHBondContact O-N 3.11Å; N52-S54 VanDerWaalsContact O-N 3.11Å; N52-S54 PolarHBondContact OD1-N 3.06Å
55	L	94.4	Very high	94.8	Very high	5 Å²	5	61.6 Å²	61.6	3%	0.026	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-13.4	-176.2	-62.3	175.2	0	0	0	113.1	E38 M40 N52 P53 S57 R58 I59	E38-L55 HydrophobicContact CG-CD1 4.48Å; M40-L55 HydrophobicContact CB-CD1 4.11Å; M40-L55 HydrophobicContact CE-CD1 4.05Å; M40-L55 HydrophobicContact CG-CD1 3.93Å; N52-L55 HydrophobicContact CB-CB 4.4Å; N52-L55 HydrophobicContact CB-CD1 4.29Å; N52-L55 HydrophobicContact CB-CG 4.47Å; N52-L55 PolarHBondContact O-N 2.97Å; P53-L55 PolarHBondContact O-N 3.25Å; L55-S57 PolarHBondContact O-N 3.08Å; L55-R58 PolarHBondContact O-N 3.45Å; L55-I59 HydrophobicContact CB-CD1 3.81Å; L55-I59 HydrophobicContact CB-CG1 4.24Å; L55-I59 HydrophobicContact CB-CG2 4.04Å; L55-I59 WeakPolarHBondContact O-CG1 3.46Å; L55-I59 PolarHBondContact O-N 2.9Å; L55-I59 VanDerWaalsContact O-N 3.08Å
56	K	93.2	Very high	95	Very high	139 Å²	139	60.5 Å²	60.5	60%	0.604	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-30.5	-170	-174.1	174.4	-178.6	-179.5	0	115	Y51 N52 R58	Y51-K56 HydrophobicContact CD2-CG 4.1Å; Y51-K56 HydrophobicContact CG-CG 4.38Å; N52-K56 PolarHBondContact O-N 2.92Å; K56-R58 VanDerWaalsContact C-N 3.35Å
57	S	95.2	Very high	95.2	Very high	113 Å²	113	63.3 Å²	63.3	79%	0.79	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-17.2	178.1	57.7	0	0	0	0	114	L55	L55-S57 PolarHBondContact O-N 3.08Å
58	R	95.6	Very high	95.2	Very high	55 Å²	55	63.4 Å²	63.4	21%	0.208	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-20.6	-173.4	-56.8	-166	-61.6	128.7	-3.2	113.5	L55 K56 L74 N75 S76 D81	L55-R58 PolarHBondContact O-N 3.45Å; K56-R58 VanDerWaalsContact C-N 3.35Å; R58-L74 HydrophobicContact CB-CD1 3.98Å; R58-N75 PolarHBondContact O-N 3.2Å; R58-N75 PolarHBondContact O-ND2 2.05Å; R58-S76 PolarHBondContact NH1-O 3.12Å; R58-D81 IonicContact CZ-OD1 3.01Å; R58-D81 IonicContact CZ-OD2 3.12Å; R58-D81 IonicContact NH1-OD1 3.24Å; R58-D81 PolarHBondContact NH1-OD1 3.09Å; R58-D81 IonicContact NH1-OD2 2.68Å; R58-D81 PolarHBondContact NH1-OD2 2.88Å; R58-D81 IonicContact NH2-OD1 3.2Å; R58-D81 PolarHBondContact NH2-OD1 2.83Å; R58-D81 IonicContact NH2-OD2 3.45Å
59	I	96.4	Very high	95.2	Very high	10 Å²	10	62.3 Å²	62.3	5%	0.051	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	147.5	-175.4	67.2	179.6	0	0	0	113.2	M40 Y51 L55 L72 Q73 L74	M40-I59 HydrophobicContact CB-CD1 4.43Å; M40-I59 HydrophobicContact CE-CG2 4.02Å; M40-I59 WeakPolarHBondContact O-CD1 3.09Å; Y51-I59 HydrophobicContact CD1-CD1 3.47Å; Y51-I59 VanDerWaalsContact CD1-CD1 3.47Å; Y51-I59 HydrophobicContact CD1-CG1 3.58Å; Y51-I59 HydrophobicContact CE1-CD1 4.31Å; Y51-I59 HydrophobicContact CE1-CG1 4.08Å; Y51-I59 HydrophobicContact CG-CD1 4.14Å; Y51-I59 HydrophobicContact CG-CG1 4.23Å; L55-I59 HydrophobicContact CB-CD1 3.81Å; L55-I59 HydrophobicContact CB-CG1 4.24Å; L55-I59 HydrophobicContact CB-CG2 4.04Å; L55-I59 WeakPolarHBondContact O-CG1 3.46Å; L55-I59 PolarHBondContact O-N 2.9Å; L55-I59 VanDerWaalsContact O-N 3.08Å; I59-L72 HydrophobicContact CB-CD1 4.09Å; I59-L72 HydrophobicContact CG2-CD1 4.24Å; I59-Q73 CarbonylContact C-O 3.59Å; I59-Q73 VanDerWaalsContact CA-O 3.24Å; I59-Q73 WeakPolarHBondContact CA-O 3.13Å; I59-L74 HydrophobicContact CG2-CB 4.47Å; I59-L74 HydrophobicContact CG2-CD1 3.46Å; I59-L74 VanDerWaalsContact CG2-CD1 3.46Å
60	S	97.3	Very high	95.2	Very high	39 Å²	39	59.6 Å²	59.6	27%	0.273	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	131.2	168.6	179.8	0	0	0	0	109.1	Q73	S60-Q73 PolarHBondContact N-O 3.01Å; S60-Q73 PolarHBondContact O-N 2.91Å
61	I	97.3	Very high	95.2	Very high	5 Å²	5	59.5 Å²	59.5	3%	0.026	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.4	177.3	-61.1	168.7	0	0	0	108.4	G41 I43 T49 Y51 F71 L72	G41-I61 VanDerWaalsContact C-CD1 3.44Å; I43-I61 HydrophobicContact CB-CG2 3.72Å; I43-I61 HydrophobicContact CG2-CG2 3.7Å; T49-I61 HydrophobicContact CG2-CB 4.38Å; Y51-I61 HydrophobicContact CD1-CD1 4.16Å; Y51-I61 HydrophobicContact CE1-CB 4.15Å; Y51-I61 HydrophobicContact CE1-CD1 3.97Å; Y51-I61 HydrophobicContact CE1-CG1 3.92Å; Y51-I61 PolarHBondContact OH-N 2.78Å; I61-F71 VanDerWaalsContact CA-O 3.3Å; I61-F71 WeakPolarHBondContact CA-O 3.46Å; I61-F71 WeakPolarHBondContact CG2-O 3.04Å; I61-L72 HydrophobicContact CG1-CD1 3.93Å
62	T	96.6	Very high	95.2	Very high	68 Å²	68	57.2 Å²	57.2	42%	0.417	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	170.5	-179.2	65.3	0	0	0	0	110.9	F70 F71	T62-F70 CarbonylContact O-C 3.56Å; T62-F70 VanDerWaalsContact O-CA 3.32Å; T62-F70 WeakPolarHBondContact O-CA 3.19Å; T62-F70 WeakPolarHBondContact O-CB 3.41Å; T62-F71 PolarHBondContact N-O 3.16Å; T62-F71 VanDerWaalsContact N-O 3.09Å; T62-F71 PolarHBondContact O-N 2.87Å
63	R	95.3	Very high	95.3	Very high	71 Å²	71	59.8 Å²	59.8	27%	0.268	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	152.7	178.4	68.5	-179	-179.5	168.7	4.9	112.9	I21 I43 N44 Y45 S46 G47 Q69 F70	I21-R63 HydrophobicContact CD1-CB 3.93Å; I43-R63 HydrophobicContact CD1-CB 4.01Å; I43-R63 HydrophobicContact CD1-CG 3.74Å; N44-R63 PolarHBondContact O-NH1 2.97Å; Y45-R63 VanDerWaalsContact O-CZ 3.25Å; Y45-R63 PolarHBondContact O-NH1 2.87Å; Y45-R63 PolarHBondContact O-NH2 2.9Å; S46-R63 PolarHBondContact O-NH2 2.99Å; G47-R63 VanDerWaalsContact CA-CZ 3.43Å; G47-R63 VanDerWaalsContact N-CZ 3.29Å; R63-Q69 WeakPolarHBondContact CA-O 3.17Å; R63-F70 HydrophobicContact CB-CB 4.1Å
64	D	95.3	Very high	95.3	Very high	40 Å²	40	54.5 Å²	54.5	21%	0.214	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	101.1	170.5	-175.8	-14.5	0	0	0	108.2	S66 K67 N68 Q69 F71	D64-S66 VanDerWaalsContact C-N 3.25Å; D64-S66 PolarHBondContact O-N 2.89Å; D64-S66 WeakPolarHBondContact OD1-CB 2.98Å; D64-S66 PolarHBondContact OD1-N 3Å; D64-S66 PolarHBondContact OD1-OG 3.24Å; D64-K67 HydrophobicContact CB-CB 4.42Å; D64-K67 PolarHBondContact O-N 2.96Å; D64-K67 PolarHBondContact OD1-N 3.45Å; D64-K67 WeakPolarHBondContact OD2-CD 3.39Å; D64-K67 VanDerWaalsContact OD2-CE 3.27Å; D64-K67 WeakPolarHBondContact OD2-CE 2.92Å; D64-K67 WeakPolarHBondContact OD2-CG 3.43Å; D64-K67 IonicContact OD2-NZ 3.47Å; D64-K67 PolarHBondContact OD2-NZ 2.84Å; D64-N68 PolarHBondContact O-N 2.88Å; D64-N68 VanDerWaalsContact O-N 3.07Å; D64-Q69 PolarHBondContact N-O 3.01Å; D64-Q69 PolarHBondContact O-N 2.83Å; D64-F71 HydrophobicContact CB-CE2 3.81Å; D64-F71 HydrophobicContact CB-CZ 4.31Å
65	T	93.8	Very high	95.4	Very high	79 Å²	79	52.4 Å²	52.4	49%	0.485	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-22.8	-178.8	52.5	0	0	0	0	112.6	I21 T22 K67	I21-T65 HydrophobicContact CD1-CG2 4.02Å; I21-T65 HydrophobicContact CG1-CG2 4.24Å; T22-T65 HydrophobicContact CG2-CG2 3.58Å; T65-K67 VanDerWaalsContact C-N 3.26Å; T65-K67 PolarHBondContact O-N 3.06Å
66	S	94.1	Very high	95.4	Very high	103 Å²	103	55.6 Å²	55.6	72%	0.72	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-27.4	176.3	76.1	0	0	0	0	112.2	D64	D64-S66 VanDerWaalsContact C-N 3.25Å; D64-S66 PolarHBondContact O-N 2.89Å; D64-S66 WeakPolarHBondContact OD1-CB 2.98Å; D64-S66 PolarHBondContact OD1-N 3Å; D64-S66 PolarHBondContact OD1-OG 3.24Å
67	K	94.9	Very high	95.5	Very high	128 Å²	128	49.1 Å²	49.1	56%	0.557	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-1.9	179.3	-62	-178.3	-169	159.6	0	113.8	D64 T65 Q69	D64-K67 HydrophobicContact CB-CB 4.42Å; D64-K67 PolarHBondContact O-N 2.96Å; D64-K67 PolarHBondContact OD1-N 3.45Å; D64-K67 WeakPolarHBondContact OD2-CD 3.39Å; D64-K67 VanDerWaalsContact OD2-CE 3.27Å; D64-K67 WeakPolarHBondContact OD2-CE 2.92Å; D64-K67 WeakPolarHBondContact OD2-CG 3.43Å; D64-K67 IonicContact OD2-NZ 3.47Å; D64-K67 PolarHBondContact OD2-NZ 2.84Å; T65-K67 VanDerWaalsContact C-N 3.26Å; T65-K67 PolarHBondContact O-N 3.06Å; K67-Q69 HydrophobicContact CB-CB 4.25Å; K67-Q69 HydrophobicContact CB-CG 4.12Å; K67-Q69 PolarHBondContact O-N 3.34Å
68	N	93.5	Very high	95.4	Very high	32 Å²	32	46 Å²	46	17%	0.171	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	43.1	-173.3	-156.2	37.3	0	0	0	112.8	V16 D19 S20 I21 D64	V16-N68 PolarHBondContact N-O 2.88Å; V16-N68 PolarHBondContact O-ND2 3.08Å; D19-N68 PolarHBondContact O-ND2 3.28Å; S20-N68 WeakPolarHBondContact CA-OD1 3.35Å; I21-N68 WeakPolarHBondContact CG2-OD1 3.39Å; I21-N68 PolarHBondContact N-OD1 3.5Å; D64-N68 PolarHBondContact O-N 2.88Å; D64-N68 VanDerWaalsContact O-N 3.07Å
69	Q	94.9	Very high	95.3	Very high	41 Å²	41	47.2 Å²	47.2	19%	0.192	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	149.8	-175.2	-78.4	172.5	-11.9	0	0	112	T13 C14 S15 I21 R63 D64 K67 F71	T13-Q69 HydrophobicContact CG2-CB 4.38Å; T13-Q69 HydrophobicContact CG2-CG 4.14Å; C14-Q69 WeakPolarHBondContact O-CA 3.43Å; S15-Q69 WeakPolarHBondContact OG-CG 3.41Å; S15-Q69 PolarHBondContact OG-NE2 3.44Å; I21-Q69 VanDerWaalsContact CD1-O 3.23Å; I21-Q69 WeakPolarHBondContact CD1-O 3.17Å; R63-Q69 WeakPolarHBondContact CA-O 3.17Å; D64-Q69 PolarHBondContact N-O 3.01Å; D64-Q69 PolarHBondContact O-N 2.83Å; K67-Q69 HydrophobicContact CB-CB 4.25Å; K67-Q69 HydrophobicContact CB-CG 4.12Å; K67-Q69 PolarHBondContact O-N 3.34Å; Q69-F71 HydrophobicContact CB-CE1 4.45Å; Q69-F71 HydrophobicContact CB-CE2 4Å; Q69-F71 HydrophobicContact CB-CZ 3.71Å
70	F	94.9	Very high	95.1	Very high	1 Å²	1	54 Å²	54	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153.9	166.8	71.5	-78.7	0	0	0	111.1	C14 V16 I21 W26 W28 I43 T62 R63 C87	C14-F70 HydrophobicContact CB-CD1 3.96Å; C14-F70 HydrophobicContact CB-CE1 3.51Å; C14-F70 HydrophobicContact CB-CE2 4.28Å; C14-F70 HydrophobicContact CB-CZ 3.71Å; C14-F70 PolarHBondContact N-O 3.05Å; C14-F70 PolarHBondContact O-N 2.76Å; C14-F70 VanDerWaalsContact SG-CE1 3.57Å; V16-F70 HydrophobicContact CG2-CD1 4.3Å; V16-F70 HydrophobicContact CG2-CE1 4.04Å; I21-F70 HydrophobicContact CG2-CD1 4.24Å; W26-F70 HydrophobicContact CB-CD1 4.14Å; W26-F70 HydrophobicContact CB-CD2 4.14Å; W26-F70 HydrophobicContact CB-CE1 3.91Å; W26-F70 HydrophobicContact CB-CE2 3.93Å; W26-F70 HydrophobicContact CB-CG 4.23Å; W26-F70 HydrophobicContact CB-CZ 3.77Å; W26-F70 HydrophobicContact CD2-CD1 4.48Å; W26-F70 AromaticContact CD2-CE1 3.99Å; W26-F70 HydrophobicContact CD2-CE1 3.99Å; W26-F70 HydrophobicContact CD2-CZ 4.45Å; W26-F70 HydrophobicContact CE3-CD1 4.44Å; W26-F70 AromaticContact CE3-CE1 3.56Å; W26-F70 HydrophobicContact CE3-CE1 3.56Å; W26-F70 AromaticContact CE3-CZ 3.94Å; W26-F70 HydrophobicContact CE3-CZ 3.94Å; W26-F70 HydrophobicContact CG-CD1 4.36Å; W26-F70 HydrophobicContact CG-CE1 4.15Å; W26-F70 HydrophobicContact CG-CZ 4.43Å; W26-F70 HydrophobicContact CZ3-CE1 4.4Å; W28-F70 AromaticContact CD1-CD2 3.98Å; W28-F70 AromaticContact CD1-CE2 3.74Å; W28-F70 HydrophobicContact CD2-CE2 4.28Å; W28-F70 AromaticContact CE2-CD2 3.91Å; W28-F70 AromaticContact CE2-CE2 3.63Å; W28-F70 HydrophobicContact CG-CE2 4.36Å; W28-F70 HydrophobicContact CZ2-CD2 4.27Å; W28-F70 HydrophobicContact CZ2-CE2 4.1Å; W28-F70 AromaticContact NE1-CD2 3.26Å; W28-F70 VanDerWaalsContact NE1-CD2 3.26Å; W28-F70 AromaticContact NE1-CE2 3.26Å; W28-F70 VanDerWaalsContact NE1-CE2 3.26Å; I43-F70 HydrophobicContact CG2-CB 4.24Å; I43-F70 HydrophobicContact CG2-CD2 4.41Å; T62-F70 CarbonylContact O-C 3.56Å; T62-F70 VanDerWaalsContact O-CA 3.32Å; T62-F70 WeakPolarHBondContact O-CA 3.19Å; T62-F70 WeakPolarHBondContact O-CB 3.41Å; R63-F70 HydrophobicContact CB-CB 4.1Å; F70-C87 HydrophobicContact CE1-CB 4.06Å; F70-C87 HydrophobicContact CE2-CB 4.16Å; F70-C87 HydrophobicContact CZ-CB 3.35Å
71	F	96.3	Very high	94.9	Very high	39 Å²	39	52.2 Å²	52.2	17%	0.171	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	146.9	-164.1	-50.9	-92	0	0	0	110.6	L12 T13 I61 T62 D64 Q69	L12-F71 CarbonylContact O-C 3.53Å; L12-F71 WeakPolarHBondContact O-CA 3.32Å; T13-F71 HydrophobicContact CG2-CD1 3.87Å; T13-F71 HydrophobicContact CG2-CE1 3.48Å; T13-F71 VanDerWaalsContact CG2-CE1 3.48Å; T13-F71 HydrophobicContact CG2-CZ 4.27Å; T13-F71 VanDerWaalsContact OG1-CD1 3.26Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.17Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.21Å; I61-F71 VanDerWaalsContact CA-O 3.3Å; I61-F71 WeakPolarHBondContact CA-O 3.46Å; I61-F71 WeakPolarHBondContact CG2-O 3.04Å; T62-F71 PolarHBondContact N-O 3.16Å; 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 4.31Å; Q69-F71 HydrophobicContact CB-CE1 4.45Å; Q69-F71 HydrophobicContact CB-CE2 4Å; Q69-F71 HydrophobicContact CB-CZ 3.71Å
72	L	97.1	Very high	94.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.6	167.8	170.7	68.5	0	0	0	108.4	S11 L12 W28 M40 I59 I61 Y85	S11-L72 CarbonylContact C-O 3.59Å; S11-L72 WeakPolarHBondContact CA-O 3.34Å; L12-L72 HydrophobicContact CB-CB 4.38Å; L12-L72 HydrophobicContact CD1-CD2 4.33Å; L12-L72 PolarHBondContact N-O 2.77Å; L12-L72 PolarHBondContact O-N 2.8Å; W28-L72 HydrophobicContact CB-CD2 4.15Å; W28-L72 HydrophobicContact CD2-CB 3.65Å; W28-L72 HydrophobicContact CD2-CD2 3.92Å; W28-L72 HydrophobicContact CD2-CG 4.39Å; W28-L72 VanDerWaalsContact CE2-CB 3.42Å; W28-L72 HydrophobicContact CE3-CB 4.31Å; W28-L72 HydrophobicContact CE3-CD2 4.07Å; W28-L72 HydrophobicContact CG-CB 3.86Å; W28-L72 HydrophobicContact CG-CD2 3.97Å; W28-L72 HydrophobicContact CG-CG 4.35Å; W28-L72 HydrophobicContact CZ2-CB 3.91Å; M40-L72 HydrophobicContact CE-CD1 4.4Å; M40-L72 HydrophobicContact CE-CD2 3.76Å; M40-L72 HydrophobicContact SD-CD2 3.67Å; I59-L72 HydrophobicContact CB-CD1 4.09Å; I59-L72 HydrophobicContact CG2-CD1 4.24Å; I61-L72 HydrophobicContact CG1-CD1 3.93Å; L72-Y85 HydrophobicContact CD2-CD1 4.08Å; L72-Y85 HydrophobicContact CD2-CE1 4.39Å
73	Q	96.8	Very high	94.7	Very high	81 Å²	81	50.4 Å²	50.4	38%	0.379	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	127.4	165.9	-169.7	177.2	34.3	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 3.49Å; L10-Q73 WeakPolarHBondContact O-CA 3.41Å; I59-Q73 CarbonylContact C-O 3.59Å; I59-Q73 VanDerWaalsContact CA-O 3.24Å; I59-Q73 WeakPolarHBondContact CA-O 3.13Å; S60-Q73 PolarHBondContact N-O 3.01Å; S60-Q73 PolarHBondContact O-N 2.91Å
74	L	95.9	Very high	94.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	114.9	173.5	174.5	66.6	0	0	0	108.6	T9 L10 M40 R58 I59 V77 D81	T9-L74 WeakPolarHBondContact CA-O 3.5Å; L10-L74 HydrophobicContact CB-CB 4.34Å; L10-L74 HydrophobicContact CD2-CB 4.44Å; L10-L74 HydrophobicContact CD2-CD2 4.39Å; L10-L74 PolarHBondContact N-O 3.18Å; L10-L74 PolarHBondContact O-N 3.44Å; M40-L74 HydrophobicContact CE-CD2 4.45Å; R58-L74 HydrophobicContact CB-CD1 3.98Å; I59-L74 HydrophobicContact CG2-CB 4.47Å; I59-L74 HydrophobicContact CG2-CD1 3.46Å; I59-L74 VanDerWaalsContact CG2-CD1 3.46Å; L74-V77 HydrophobicContact CD2-CG1 3.95Å; L74-V77 HydrophobicContact CG-CG1 3.98Å; L74-D81 HydrophobicContact CD2-CB 4Å
75	N	95.8	Very high	94.7	Very high	52 Å²	52	46.4 Å²	46.4	28%	0.278	26%	0.257	S	S	.	.			trans	-90.2	151.1	-177.7	-63.4	-46.3	0	0	0	111.6	T9 R58	T9-N75 WeakPolarHBondContact CG2-OD1 3.3Å; T9-N75 PolarHBondContact OG1-OD1 3.24Å; R58-N75 PolarHBondContact O-N 3.2Å; R58-N75 PolarHBondContact O-ND2 2.05Å
76	S	93.9	Very high	94.7	Very high	71 Å²	71	44.6 Å²	44.6	50%	0.497	24%	0.242	S	C	.	.	S	Bend	trans	52.4	57.6	175.9	-54.7	0	0	0	0	112	Q8 R58	Q8-S76 PolarHBondContact O-N 2.68Å; R58-S76 PolarHBondContact NH1-O 3.12Å
77	V	94.4	Very high	94.7	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.018	21%	0.211	C	C	.	.			trans	-63	142.6	-177.8	-61.5	0	0	0	0	111.7	V4 K5 P6 S7 Q8 L10 L74 D81 V108	V4-V77 HydrophobicContact CG1-CG2 3.89Å; K5-V77 WeakPolarHBondContact O-CG2 3.24Å; P6-V77 CarbonylContact C-O 3.44Å; P6-V77 WeakPolarHBondContact CA-O 3.35Å; S7-V77 PolarHBondContact N-O 2.92Å; Q8-V77 HydrophobicContact CB-CG2 4.41Å; Q8-V77 WeakPolarHBondContact O-CG2 3.16Å; Q8-V77 PolarHBondContact O-N 3.34Å; L10-V77 HydrophobicContact CB-CG1 3.83Å; L74-V77 HydrophobicContact CD2-CG1 3.95Å; L74-V77 HydrophobicContact CG-CG1 3.98Å; V77-D81 VanDerWaalsContact CA-OD2 3.32Å; V77-D81 WeakPolarHBondContact CA-OD2 3.48Å; V77-V108 HydrophobicContact CB-CG2 4.25Å; V77-V108 HydrophobicContact CG2-CG1 4.03Å; V77-V108 HydrophobicContact CG2-CG2 4.18Å
78	T	94.3	Very high	94.5	Very high	48 Å²	48	34.1 Å²	34.1	29%	0.294	18%	0.184	S	C	.	.			trans	-119.8	167.3	176.3	70.6	0	0	0	0	110.5	E80 D81 V108	T78-E80 PolarHBondContact O-N 2.82Å; T78-E80 VanDerWaalsContact O-N 3.14Å; T78-E80 PolarHBondContact OG1-N 2.92Å; T78-D81 PolarHBondContact N-OD2 2.93Å; T78-D81 WeakPolarHBondContact O-CB 3.25Å; T78-D81 PolarHBondContact O-N 2.87Å; T78-D81 PolarHBondContact OG1-OD2 2.99Å; T78-V108 WeakPolarHBondContact O-CB 3.47Å; T78-V108 WeakPolarHBondContact O-CG1 3.25Å
79	P	93.2	Very high	94.2	Very high	80 Å²	80	33.1 Å²	33.1	52%	0.519	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-53.5	-30.4	172.9	-29.4	37.8	0	0	0	114	D81 T82	P79-D81 PolarHBondContact O-N 2.92Å; P79-T82 WeakPolarHBondContact O-CB 3.46Å; P79-T82 PolarHBondContact O-N 2.96Å; P79-T82 VanDerWaalsContact O-N 3.12Å; P79-T82 PolarHBondContact O-OG1 3.1Å
80	E	91.9	Very high	93.6	Very high	154 Å²	154	32.7 Å²	32.7	72%	0.72	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-65.4	-20.4	175.4	-59.5	175.3	179.3	0	0	112.5	F32 T78 T82	F32-E80 WeakPolarHBondContact CE1-O 3.46Å; T78-E80 PolarHBondContact O-N 2.82Å; T78-E80 VanDerWaalsContact O-N 3.14Å; T78-E80 PolarHBondContact OG1-N 2.92Å; E80-T82 PolarHBondContact O-N 3.31Å
81	D	93.8	Very high	92.3	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-81.1	4.3	175.7	-59.2	-50.8	0	0	0	113.4	R30 R58 L74 V77 T78 P79 G83 Y85	R30-D81 IonicContact CZ-OD1 3.35Å; R30-D81 VanDerWaalsContact NH1-CA 3.26Å; R30-D81 IonicContact NH1-OD1 2.74Å; R30-D81 PolarHBondContact NH1-OD1 2.9Å; R30-D81 IonicContact NH2-OD1 2.98Å; R58-D81 IonicContact CZ-OD1 3.01Å; R58-D81 IonicContact CZ-OD2 3.12Å; R58-D81 IonicContact NH1-OD1 3.24Å; R58-D81 PolarHBondContact NH1-OD1 3.09Å; R58-D81 IonicContact NH1-OD2 2.68Å; R58-D81 PolarHBondContact NH1-OD2 2.88Å; R58-D81 IonicContact NH2-OD1 3.2Å; R58-D81 PolarHBondContact NH2-OD1 2.83Å; R58-D81 IonicContact NH2-OD2 3.45Å; L74-D81 HydrophobicContact CD2-CB 4Å; V77-D81 VanDerWaalsContact CA-OD2 3.32Å; V77-D81 WeakPolarHBondContact CA-OD2 3.48Å; T78-D81 PolarHBondContact N-OD2 2.93Å; T78-D81 WeakPolarHBondContact O-CB 3.25Å; T78-D81 PolarHBondContact O-N 2.87Å; T78-D81 PolarHBondContact OG1-OD2 2.99Å; P79-D81 PolarHBondContact O-N 2.92Å; D81-G83 PolarHBondContact O-N 3.36Å; D81-Y85 PolarHBondContact O-OH 2.75Å
82	T	94.8	Very high	90.6	Very high	31 Å²	31	45.7 Å²	45.7	19%	0.19	23%	0.227	C	C	.	.			trans	-65.4	129.3	172.9	-65.8	0	0	0	0	111.2	P33 P79 E80 V108	P33-T82 HydrophobicContact CG-CG2 4.42Å; P79-T82 WeakPolarHBondContact O-CB 3.46Å; P79-T82 PolarHBondContact O-N 2.96Å; P79-T82 VanDerWaalsContact O-N 3.12Å; P79-T82 PolarHBondContact O-OG1 3.1Å; E80-T82 PolarHBondContact O-N 3.31Å; T82-V108 PolarHBondContact OG1-N 3.41Å
83	G	94.9	Very high	88.7	Confident	4 Å²	4	49.6 Å²	49.6	4%	0.041	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.4	-178.9	-179.7	0	0	0	0	0	113.3	Q31 D81 L106	Q31-G83 CarbonylContact O-C 3.45Å; Q31-G83 WeakPolarHBondContact O-CA 3.38Å; D81-G83 PolarHBondContact O-N 3.36Å; G83-L106 PolarHBondContact N-O 2.59Å; G83-L106 PolarHBondContact O-N 2.73Å
84	T	95.2	Very high	87	Confident	23 Å²	23	48 Å²	48	14%	0.141	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.2	171.4	-55.2	0	0	0	0	109.9	R30 Q31 Y86 T104 T105	R30-T84 CarbonylContact C-O 3.55Å; Q31-T84 PolarHBondContact N-O 2.91Å; Q31-T84 PolarHBondContact O-N 3.48Å; T84-Y86 HydrophobicContact CG2-CD2 4.28Å; T84-Y86 HydrophobicContact CG2-CE1 3.82Å; T84-Y86 HydrophobicContact CG2-CE2 3.56Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.32Å; T84-T104 WeakPolarHBondContact CA-O 3.45Å; T84-T105 PolarHBondContact OG1-OG1 3.45Å
85	Y	94.9	Very high	85.4	Confident	3 Å²	3	52.8 Å²	52.8	1%	0.012	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.5	-177	-69.2	-104.8	0	0	0	109.7	L12 I29 R30 M40 L72 D81 G103 T104 L106	L12-Y85 VanDerWaalsContact CD1-CB 3.46Å; L12-Y85 HydrophobicContact CD1-CD1 3.7Å; L12-Y85 HydrophobicContact CD1-CD2 4.24Å; L12-Y85 HydrophobicContact CD1-CE1 4.48Å; L12-Y85 HydrophobicContact CD1-CG 3.54Å; I29-Y85 CarbonylContact O-C 3.58Å; I29-Y85 WeakPolarHBondContact O-CA 3.42Å; R30-Y85 HydrophobicContact CB-CD1 4.31Å; R30-Y85 HydrophobicContact CB-CE1 4.2Å; R30-Y85 WeakPolarHBondContact CD-OH 3.37Å; R30-Y85 HydrophobicContact CG-CE1 4.22Å; R30-Y85 HydrophobicContact CG-CE2 4.37Å; R30-Y85 PolarHBondContact NH1-OH 2.74Å; M40-Y85 HydrophobicContact CE-CD1 4.48Å; M40-Y85 HydrophobicContact CE-CE1 3.86Å; M40-Y85 HydrophobicContact SD-CD1 3.7Å; M40-Y85 HydrophobicContact SD-CE1 3.58Å; M40-Y85 VanDerWaalsContact SD-CE1 3.58Å; L72-Y85 HydrophobicContact CD2-CD1 4.08Å; L72-Y85 HydrophobicContact CD2-CE1 4.39Å; D81-Y85 PolarHBondContact O-OH 2.75Å; Y85-G103 CarbonylContact O-C 3.56Å; Y85-G103 WeakPolarHBondContact O-CA 3.5Å; Y85-T104 PolarHBondContact N-O 3.31Å; Y85-T104 PolarHBondContact O-N 3.39Å; Y85-L106 HydrophobicContact CD2-CB 4.37Å; Y85-L106 HydrophobicContact CD2-CD1 3.67Å; Y85-L106 HydrophobicContact CD2-CG 3.99Å; Y85-L106 HydrophobicContact CE2-CB 4.14Å; Y85-L106 HydrophobicContact CE2-CD1 3.66Å; Y85-L106 HydrophobicContact CE2-CG 4.15Å; Y85-L106 HydrophobicContact CG-CD1 4.44Å
86	Y	93.6	Very high	83.8	Confident	42 Å²	42	58.8 Å²	58.8	17%	0.165	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	144.5	-177.6	-59.4	-85.8	0	0	0	110.7	I29 Q31 T84 G103	I29-Y86 PolarHBondContact N-O 2.63Å; I29-Y86 PolarHBondContact O-N 3.02Å; Q31-Y86 HydrophobicContact CB-CD2 4.25Å; Q31-Y86 HydrophobicContact CB-CE2 3.6Å; Q31-Y86 HydrophobicContact CG-CE2 4.47Å; Q31-Y86 PolarHBondContact OE1-OH 2.89Å; T84-Y86 HydrophobicContact CG2-CD2 4.28Å; T84-Y86 HydrophobicContact CG2-CE1 3.82Å; T84-Y86 HydrophobicContact CG2-CE2 3.56Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.32Å; Y86-G103 VanDerWaalsContact CD1-CA 3.41Å
87	C	92.8	Very high	82.5	Confident	11 Å²	11	59.2 Å²	59.2	7%	0.074	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	139.2	159.3	39.1	0	0	0	0	110.7	C14 N27 F70 W100	C14-C87 HydrophobicContact CB-CB 3.48Å; C14-C87 VanDerWaalsContact CB-CB 3.48Å; C14-C87 WeakPolarHBondContact CB-SG 3.26Å; C14-C87 WeakPolarHBondContact SG-CB 3.35Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 3.03Å; N27-C87 WeakPolarHBondContact O-CA 3.35Å; F70-C87 HydrophobicContact CE1-CB 4.06Å; F70-C87 HydrophobicContact CE2-CB 4.16Å; F70-C87 HydrophobicContact CZ-CB 3.35Å; C87-W100 PolarHBondContact O-N 3.21Å; C87-W100 VanDerWaalsContact O-N 3.08Å
88	A	91	Very high	81.3	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	152.1	178.4	0	0	0	0	0	110.9	N27 I29 F97 D98	N27-A88 HydrophobicContact CB-CB 4.32Å; N27-A88 PolarHBondContact N-O 3.3Å; N27-A88 PolarHBondContact O-N 2.71Å; I29-A88 HydrophobicContact CD1-CB 3.81Å; A88-F97 HydrophobicContact CB-CB 4.08Å; A88-F97 HydrophobicContact CB-CD1 4.22Å; A88-F97 HydrophobicContact CB-CG 4.38Å; A88-D98 CarbonylContact C-O 3.59Å; A88-D98 VanDerWaalsContact CA-O 3.23Å; A88-D98 WeakPolarHBondContact CA-O 3.18Å; A88-D98 WeakPolarHBondContact CB-O 3.49Å
89	R	87.9	Confident	79.9	Confident	10 Å²	10	67.2 Å²	67.2	4%	0.038	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	143.7	175.1	-171.1	-174	178.3	-174.2	7.5	109.6	D19 S23 Y25 W26 Y91 F97 D98 W100	D19-R89 IonicContact OD1-CZ 2.63Å; D19-R89 IonicContact OD1-NH1 2.71Å; D19-R89 PolarHBondContact OD1-NH1 3.18Å; D19-R89 IonicContact OD1-NH2 4Å; D19-R89 PolarHBondContact OD1-NH2 2.87Å; D19-R89 WeakPolarHBondContact OD2-CD 3.47Å; D19-R89 IonicContact OD2-CZ 3.73Å; D19-R89 IonicContact OD2-NE 2.9Å; D19-R89 PolarHBondContact OD2-NE 3.01Å; D19-R89 VanDerWaalsContact OD2-NE 3.12Å; D19-R89 IonicContact OD2-NH1 3.67Å; D19-R89 PolarHBondContact OD2-NH1 3.11Å; D19-R89 IonicContact OD2-NH2 3.67Å; D19-R89 PolarHBondContact OD2-NH2 2.83Å; S23-R89 PolarHBondContact OG-NH2 3.05Å; Y25-R89 CarbonylContact O-C 3.5Å; Y25-R89 WeakPolarHBondContact O-CA 3.46Å; W26-R89 HydrophobicContact CD2-CG 4.43Å; W26-R89 HydrophobicContact CE3-CB 4.05Å; W26-R89 HydrophobicContact CE3-CG 4.4Å; W26-R89 HydrophobicContact CH2-CB 3.99Å; W26-R89 HydrophobicContact CH2-CG 3.98Å; W26-R89 HydrophobicContact CZ2-CB 4.47Å; W26-R89 HydrophobicContact CZ2-CG 3.99Å; W26-R89 HydrophobicContact CZ3-CB 3.76Å; W26-R89 HydrophobicContact CZ3-CG 4.18Å; R89-Y91 PolarHBondContact NH1-OH 2.94Å; R89-Y91 VanDerWaalsContact NH2-CZ 3.35Å; R89-Y91 PolarHBondContact NH2-OH 2.9Å; R89-Y91 VanDerWaalsContact NH2-OH 3.16Å; R89-F97 WeakPolarHBondContact O-CA 3.32Å; R89-D98 HydrophobicContact CB-CB 4.43Å; R89-D98 PolarHBondContact N-O 3.03Å; R89-D98 PolarHBondContact O-N 3.09Å; R89-W100 HydrophobicContact CB-CG 4.1Å
90	D	81.8	Confident	78.8	Confident	33 Å²	33	67 Å²	67	18%	0.176	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148	167.8	-173.5	21.1	0	0	0	110.4	Y25 S94 F97	Y25-D90 PolarHBondContact N-O 2.74Å; Y25-D90 PolarHBondContact O-N 2.82Å; D90-S94 WeakPolarHBondContact OD1-CB 3.23Å; D90-F97 HydrophobicContact CB-CD1 3.79Å; D90-F97 HydrophobicContact CB-CE1 3.76Å
91	Y	68.2	Low	77.7	Confident	107 Å²	107	61.2 Å²	61.2	42%	0.42	31%	0.314	S	S	.	.			trans	-104.1	143.2	173.8	-71.6	-84.3	0	0	0	109.5	R89 G93 S94	R89-Y91 PolarHBondContact NH1-OH 2.94Å; R89-Y91 VanDerWaalsContact NH2-CZ 3.35Å; R89-Y91 PolarHBondContact NH2-OH 2.9Å; R89-Y91 VanDerWaalsContact NH2-OH 3.16Å; Y91-G93 PolarHBondContact O-N 2.9Å; Y91-S94 WeakPolarHBondContact O-CB 3.41Å; Y91-S94 PolarHBondContact O-N 2.81Å
92	Y	59.7	Low	77.1	Confident	205 Å²	205	70.2 Å²	70.2	80%	0.804	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	113.9	178.7	-163.4	-102	0	0	0	111	Y25	Y25-Y92 AromaticContact CE2-CD2 3.79Å; Y25-Y92 HydrophobicContact CE2-CD2 3.79Å; Y25-Y92 HydrophobicContact CE2-CG 4.42Å; Y25-Y92 AromaticContact CZ-CD2 3.79Å; Y25-Y92 VanDerWaalsContact OH-CD2 3.25Å; Y25-Y92 WeakPolarHBondContact OH-CD2 3.5Å
93	G	58.6	Low	76.6	Confident	82 Å²	82	70 Å²	70	85%	0.845	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.3	3.1	-178.2	0	0	0	0	0	115.8	Y91	Y91-G93 PolarHBondContact O-N 2.9Å
94	S	61.3	Low	76.4	Confident	49 Å²	49	72.6 Å²	72.6	34%	0.343	38%	0.375	S	S	.	.			trans	-85.5	143.7	169.5	174.2	0	0	0	0	110.8	D90 Y91 Y96	D90-S94 WeakPolarHBondContact OD1-CB 3.23Å; Y91-S94 WeakPolarHBondContact O-CB 3.41Å; Y91-S94 PolarHBondContact O-N 2.81Å; S94-Y96 PolarHBondContact OG-N 3.05Å; S94-Y96 VanDerWaalsContact OG-N 3.09Å; S94-Y96 PolarHBondContact OG-O 2.84Å; S94-Y96 VanDerWaalsContact OG-O 3.07Å
95	S	61	Low	76.2	Confident	100 Å²	100	74.4 Å²	74.4	70%	0.699	39%	0.386	S	S	*	.	S	Bend	trans	-94.3	6.1	171.3	57	0	0	0	0	112.8
96	Y	61.9	Low	75.9	Confident	177 Å²	177	74.5 Å²	74.5	69%	0.694	39%	0.387	S	S	*	.			trans	-127.1	132.9	-171.3	-62.8	-79.4	0	0	0	111.3	S94	S94-Y96 PolarHBondContact OG-N 3.05Å; S94-Y96 VanDerWaalsContact OG-N 3.09Å; S94-Y96 PolarHBondContact OG-O 2.84Å; S94-Y96 VanDerWaalsContact OG-O 3.07Å
97	F	67.4	Low	75.6	Confident	81 Å²	81	75 Å²	75	36%	0.355	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-87.7	124.9	169.3	-69.3	-67.4	0	0	0	109.7	N27 I29 A88 R89 D90	N27-F97 HydrophobicContact CB-CD1 4.45Å; N27-F97 HydrophobicContact CB-CE1 4.15Å; N27-F97 VanDerWaalsContact CG-CE1 3.48Å; N27-F97 WeakPolarHBondContact ND2-CE1 3.4Å; I29-F97 HydrophobicContact CD1-CD2 4.26Å; I29-F97 HydrophobicContact CD1-CG 4.3Å; A88-F97 HydrophobicContact CB-CB 4.08Å; A88-F97 HydrophobicContact CB-CD1 4.22Å; A88-F97 HydrophobicContact CB-CG 4.38Å; R89-F97 WeakPolarHBondContact O-CA 3.32Å; D90-F97 HydrophobicContact CB-CD1 3.79Å; D90-F97 HydrophobicContact CB-CE1 3.76Å
98	D	69.1	Low	75.2	Confident	76 Å²	76	74.9 Å²	74.9	41%	0.406	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	129.7	162.4	-67.5	-32.8	0	0	0	107.6	A88 R89 W100	A88-D98 CarbonylContact C-O 3.59Å; A88-D98 VanDerWaalsContact CA-O 3.23Å; A88-D98 WeakPolarHBondContact CA-O 3.18Å; A88-D98 WeakPolarHBondContact CB-O 3.49Å; R89-D98 HydrophobicContact CB-CB 4.43Å; R89-D98 PolarHBondContact N-O 3.03Å; R89-D98 PolarHBondContact O-N 3.09Å; D98-W100 VanDerWaalsContact CB-CD1 3.47Å; D98-W100 VanDerWaalsContact O-CD1 3.27Å; D98-W100 PolarHBondContact O-N 3.07Å
99	Y	65.1	Low	74.8	Confident	142 Å²	142	77.2 Å²	77.2	56%	0.557	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	116.2	173.9	-72.2	-83.6	0	0	0	109.3
100	W	69.3	Low	73.9	Confident	76 Å²	76	84.3 Å²	84.3	29%	0.288	46%	0.46	S	S	.	.			trans	-108.1	18.5	-171.9	-84	80.9	0	0	0	113.7	V16 S17 D19 W26 C87 R89 D98	V16-W100 HydrophobicContact CG1-CE3 4.11Å; V16-W100 HydrophobicContact CG1-CZ3 4.14Å; S17-W100 WeakPolarHBondContact O-CZ3 3.37Å; D19-W100 HydrophobicContact CB-CH2 3.39Å; D19-W100 HydrophobicContact CB-CZ2 4.18Å; D19-W100 HydrophobicContact CB-CZ3 3.7Å; W26-W100 AromaticContact CH2-CD2 3.95Å; W26-W100 HydrophobicContact CH2-CD2 3.95Å; W26-W100 HydrophobicContact CH2-CE3 4.13Å; W26-W100 HydrophobicContact CH2-CG 4.18Å; W26-W100 HydrophobicContact CZ3-CB 3.9Å; W26-W100 HydrophobicContact CZ3-CD2 4.01Å; W26-W100 HydrophobicContact CZ3-CE3 4.4Å; W26-W100 AromaticContact CZ3-CG 3.76Å; W26-W100 HydrophobicContact CZ3-CG 3.76Å; C87-W100 PolarHBondContact O-N 3.21Å; C87-W100 VanDerWaalsContact O-N 3.08Å; R89-W100 HydrophobicContact CB-CG 4.1Å; D98-W100 VanDerWaalsContact CB-CD1 3.47Å; D98-W100 VanDerWaalsContact O-CD1 3.27Å; D98-W100 PolarHBondContact O-N 3.07Å
101	G	70.2	Confident	73.5	Confident	33 Å²	33	86.9 Å²	86.9	34%	0.34	48%	0.475	S	S	.	.	S	Bend	trans	-166.3	161.2	174.4	0	0	0	0	0	113.7	G103	G101-G103 PolarHBondContact O-N 3.36Å
102	Q	79.6	Confident	73.8	Confident	190 Å²	190	85.8 Å²	85.8	89%	0.888	48%	0.477	S	S	*	.			trans	-70	-10.3	177.1	-66.6	-67.5	-42.2	0	0	113.4
103	G	85.4	Confident	74.6	Confident	26 Å²	26	79.2 Å²	79.2	27%	0.268	46%	0.459	S	S	.	.			trans	76.5	156.3	-175.1	0	0	0	0	0	113.4	Y85 Y86 G101	Y85-G103 CarbonylContact O-C 3.56Å; Y85-G103 WeakPolarHBondContact O-CA 3.5Å; Y86-G103 VanDerWaalsContact CD1-CA 3.41Å; G101-G103 PolarHBondContact O-N 3.36Å
104	T	90.3	Very high	75.5	Confident	59 Å²	59	79 Å²	79	36%	0.362	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	114.8	177.3	-60.3	0	0	0	0	109.3	L12 T84 Y85 L106	L12-T104 HydrophobicContact CD2-CG2 4.11Å; T84-T104 WeakPolarHBondContact CA-O 3.45Å; Y85-T104 PolarHBondContact N-O 3.31Å; Y85-T104 PolarHBondContact O-N 3.39Å; T104-L106 HydrophobicContact CG2-CD2 3.81Å; T104-L106 HydrophobicContact CG2-CG 4.33Å
105	T	90.4	Very high	76.4	Confident	61 Å²	61	80.9 Å²	80.9	37%	0.374	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	126.1	176.2	-52.6	0	0	0	0	111	P1 T2 T84	P1-T105 CarbonylContact C-O 3.52Å; P1-T105 WeakPolarHBondContact CA-O 3.45Å; P1-T105 HydrophobicContact CB-CG2 4.3Å; T2-T105 PolarHBondContact N-O 3.47Å; T84-T105 PolarHBondContact OG1-OG1 3.45Å
106	L	88.6	Confident	77.5	Confident	4 Å²	4	79.6 Å²	79.6	2%	0.021	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	138.6	179.1	-56	179.7	0	0	0	110.5	T2 L10 L12 G83 Y85 T104	T2-L106 VanDerWaalsContact CB-CD2 3.48Å; T2-L106 HydrophobicContact CG2-CD2 4.36Å; T2-L106 WeakPolarHBondContact O-CA 3.27Å; L10-L106 HydrophobicContact CD1-CD1 3.41Å; L10-L106 VanDerWaalsContact CD1-CD1 3.41Å; L10-L106 HydrophobicContact CD1-CD2 4.33Å; L10-L106 HydrophobicContact CD2-CD1 3.12Å; L10-L106 HydrophobicContact CG-CD1 3.84Å; L12-L106 HydrophobicContact CD1-CD1 4.16Å; L12-L106 HydrophobicContact CD2-CD1 4.18Å; L12-L106 HydrophobicContact CG-CD1 4.48Å; G83-L106 PolarHBondContact N-O 2.59Å; G83-L106 PolarHBondContact O-N 2.73Å; Y85-L106 HydrophobicContact CD2-CB 4.37Å; Y85-L106 HydrophobicContact CD2-CD1 3.67Å; Y85-L106 HydrophobicContact CD2-CG 3.99Å; Y85-L106 HydrophobicContact CE2-CB 4.14Å; Y85-L106 HydrophobicContact CE2-CD1 3.66Å; Y85-L106 HydrophobicContact CE2-CG 4.15Å; Y85-L106 HydrophobicContact CG-CD1 4.44Å; T104-L106 HydrophobicContact CG2-CD2 3.81Å; T104-L106 HydrophobicContact CG2-CG 4.33Å
107	T	88.8	Confident	78.6	Confident	52 Å²	52	72.6 Å²	72.6	32%	0.319	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.1	174.8	-56.8	0	0	0	0	108.9	T2 L3 V4	T2-T107 PolarHBondContact O-N 3.01Å; L3-T107 WeakPolarHBondContact CA-O 3.2Å; L3-T107 HydrophobicContact CD1-CG2 4.16Å; V4-T107 PolarHBondContact N-O 3.42Å
108	V	83.4	Confident	79.4	Confident	10 Å²	10	72 Å²	72	6%	0.061	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	110.8	175.9	-175.1	0	0	0	0	108.8	V4 P6 V77 T78 T82	V4-V108 HydrophobicContact CB-CG2 4.45Å; V4-V108 WeakPolarHBondContact O-CA 3.36Å; P6-V108 HydrophobicContact CG-CG1 4.21Å; V77-V108 HydrophobicContact CB-CG2 4.25Å; V77-V108 HydrophobicContact CG2-CG1 4.03Å; V77-V108 HydrophobicContact CG2-CG2 4.18Å; T78-V108 WeakPolarHBondContact O-CB 3.47Å; T78-V108 WeakPolarHBondContact O-CG1 3.25Å; T82-V108 PolarHBondContact OG1-N 3.41Å
109	S	81.7	Confident	80.3	Confident	49 Å²	49	71.7 Å²	71.7	34%	0.343	41%	0.41	S	S	.	.			trans	-145.1	152.4	178.4	69.3	0	0	0	0	111.5	L3 V4	L3-S109 WeakPolarHBondContact CD1-OG 3.38Å; V4-S109 PolarHBondContact O-N 2.86Å
110	S	70.8	Confident	81.7	Confident	158 Å²	158	65.3 Å²	65.3	100%	1.105	40%	0.397	S	S	*	.			trans	-76.9	0	173.8	58.3	0	0	0	0	112.3

Retrieved 110 of 110 residues in 24.1 ms (Link to these results)

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