X5J4G5_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4G5, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 aa.

						>X5J4G5_MOUSE|X5J4G5
PSLVKPSQTLSLTCSVSGDSITSGYWNWIRQFPGNKLEWMGYINYSGSTSYNPSLKSRIPITRDTSKNQFFLQLNSVTPEDTGTYYCARDYYGSSYFDYWGQGTTLTVSS
					

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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	63.5	Low	87.5	Confident	141 Å²	141	82.4 Å²	82.4	92%	0.916	48%	0.482	S	S	*	.				0	119.2	0	-4	24.2	0	0	0	110.4	T105	P1-T105 CarbonylContact C-O 3.51Å; P1-T105 VanDerWaalsContact CA-O 3.22Å; P1-T105 WeakPolarHBondContact CA-O 3.19Å; P1-T105 HydrophobicContact CB-CG2 4.39Å
2	S	80.5	Confident	88.2	Confident	63 Å²	63	76.7 Å²	76.7	44%	0.441	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.4	175.8	-55.1	0	0	0	0	109.7	T105 T107	S2-T105 PolarHBondContact N-O 3.46Å; S2-T107 PolarHBondContact O-N 3.41Å
3	L	85.5	Confident	88.8	Confident	129 Å²	129	76.1 Å²	76.1	68%	0.675	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	128.4	177.2	-170.8	66.4	0	0	0	109.9	T107 S109	L3-T107 WeakPolarHBondContact CA-O 3.43Å; L3-T107 HydrophobicContact CD1-CG2 4.06Å; L3-S109 WeakPolarHBondContact CD1-OG 3.34Å
4	V	88.5	Confident	89.3	Confident	9 Å²	9	71.4 Å²	71.4	6%	0.055	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	142.4	-172.4	-171.6	0	0	0	0	109.5	Q8 L10 V77 T107 V108 S109	V4-Q8 HydrophobicContact CG1-CB 4.05Å; V4-L10 HydrophobicContact CB-CD1 4.25Å; V4-L10 HydrophobicContact CB-CD2 4.31Å; V4-L10 HydrophobicContact CG1-CD1 3.96Å; V4-L10 HydrophobicContact CG1-CD2 3.62Å; V4-L10 HydrophobicContact CG1-CG 3.93Å; V4-L10 HydrophobicContact CG2-CD1 3.82Å; V4-L10 HydrophobicContact CG2-CD2 3.69Å; V4-L10 HydrophobicContact CG2-CG 4.32Å; V4-V77 HydrophobicContact CG1-CG2 3.95Å; V4-T107 PolarHBondContact N-O 2.91Å; V4-V108 HydrophobicContact CB-CG2 4.43Å; V4-V108 WeakPolarHBondContact O-CA 3.39Å; V4-S109 PolarHBondContact O-N 2.59Å
5	K	89.8	Confident	89.7	Confident	139 Å²	139	71.5 Å²	71.5	60%	0.604	43%	0.425	S	S	*	.			trans	-84.2	149.6	175.3	-67	-175.5	177.8	-175.7	0	110.7	Q8 V77	K5-Q8 HydrophobicContact CB-CG 4.3Å; K5-Q8 WeakPolarHBondContact O-CB 3.37Å; K5-Q8 WeakPolarHBondContact O-CG 3.34Å; K5-Q8 PolarHBondContact O-OE1 3.24Å; K5-V77 WeakPolarHBondContact O-CG2 3.31Å
6	P	92.1	Very high	89.9	Confident	47 Å²	47	68.3 Å²	68.3	31%	0.305	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	155.8	174	-25.4	34.3	0	0	0	113.2	Q8 V77 V108	P6-Q8 PolarHBondContact O-N 3.34Å; P6-Q8 VanDerWaalsContact O-N 3.12Å; P6-V77 CarbonylContact C-O 3.59Å; P6-V77 WeakPolarHBondContact CA-O 3.34Å; P6-V108 HydrophobicContact CG-CG1 4.22Å
7	S	91.3	Very high	90	Very high	100 Å²	100	70.8 Å²	70.8	70%	0.699	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	1.2	-179.9	-52.3	0	0	0	0	115.7	V77	S7-V77 PolarHBondContact N-O 3.2Å
8	Q	91.5	Very high	89.8	Confident	94 Å²	94	72.1 Å²	72.1	44%	0.439	46%	0.459	S	S	.	.			trans	-75.7	157.8	171.7	-65	-172.8	-47.5	0	0	111.4	V4 K5 P6 S76 V77	V4-Q8 HydrophobicContact CG1-CB 4.05Å; K5-Q8 HydrophobicContact CB-CG 4.3Å; K5-Q8 WeakPolarHBondContact O-CB 3.37Å; K5-Q8 WeakPolarHBondContact O-CG 3.34Å; K5-Q8 PolarHBondContact O-OE1 3.24Å; P6-Q8 PolarHBondContact O-N 3.34Å; P6-Q8 VanDerWaalsContact O-N 3.12Å; Q8-S76 PolarHBondContact O-N 3.45Å; Q8-V77 HydrophobicContact CB-CG2 4.16Å; Q8-V77 WeakPolarHBondContact O-CG2 3.43Å; Q8-V77 PolarHBondContact O-N 3.03Å
9	T	93.1	Very high	89.6	Confident	72 Å²	72	70.9 Å²	70.9	44%	0.442	45%	0.448	S	S	.	.			trans	-97.6	130.6	168.4	-68.9	0	0	0	0	109.4	Q73 L74 N75	T9-Q73 HydrophobicContact CG2-CG 3.4Å; T9-Q73 VanDerWaalsContact CG2-NE2 3.32Å; T9-L74 WeakPolarHBondContact CA-O 3.39Å; T9-N75 WeakPolarHBondContact CG2-OD1 3.16Å; T9-N75 PolarHBondContact OG1-OD1 2.99Å; T9-N75 VanDerWaalsContact OG1-OD1 3.13Å
10	L	91.9	Very high	89.7	Confident	30 Å²	30	69.4 Å²	69.4	16%	0.157	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	145.2	175	-69.1	177.2	0	0	0	110.9	V4 Q73 L74 V77 L106	V4-L10 HydrophobicContact CB-CD1 4.25Å; V4-L10 HydrophobicContact CB-CD2 4.31Å; V4-L10 HydrophobicContact CG1-CD1 3.96Å; V4-L10 HydrophobicContact CG1-CD2 3.62Å; V4-L10 HydrophobicContact CG1-CG 3.93Å; V4-L10 HydrophobicContact CG2-CD1 3.82Å; V4-L10 HydrophobicContact CG2-CD2 3.69Å; V4-L10 HydrophobicContact CG2-CG 4.32Å; L10-Q73 CarbonylContact O-C 3.57Å; L10-Q73 VanDerWaalsContact O-CA 3.23Å; L10-Q73 WeakPolarHBondContact O-CA 3.23Å; L10-Q73 WeakPolarHBondContact O-CG 3.44Å; L10-L74 PolarHBondContact N-O 2.74Å; L10-L74 PolarHBondContact O-N 2.85Å; L10-V77 HydrophobicContact CB-CG1 4.42Å; L10-V77 HydrophobicContact CD1-CG1 3.78Å; L10-V77 HydrophobicContact CG-CG1 3.96Å; L10-L106 HydrophobicContact CD1-CD1 3.61Å
11	S	94.6	Very high	89.7	Confident	82 Å²	82	66.2 Å²	66.2	57%	0.573	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	119.9	170.5	-172.1	0	0	0	0	108.4
12	L	95.9	Very high	91	Very high	14 Å²	14	62.8 Å²	62.8	7%	0.073	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	134.2	175.2	-68.9	170.2	0	0	0	108.7	W28 F71 L72 Y85 T104 L106	L12-W28 HydrophobicContact CB-CH2 3.6Å; L12-W28 HydrophobicContact CB-CZ2 4.2Å; L12-W28 HydrophobicContact CB-CZ3 3.92Å; L12-W28 HydrophobicContact CD1-CZ3 4.25Å; L12-F71 CarbonylContact O-C 3.57Å; L12-F71 WeakPolarHBondContact O-CA 3.26Å; L12-L72 HydrophobicContact CB-CB 4.33Å; L12-L72 HydrophobicContact CD1-CD2 4.03Å; L12-L72 PolarHBondContact N-O 2.94Å; L12-L72 PolarHBondContact O-N 2.93Å; L12-Y85 HydrophobicContact CD1-CD1 3.47Å; L12-Y85 VanDerWaalsContact CD1-CD1 3.47Å; L12-Y85 HydrophobicContact CD1-CD2 4.24Å; L12-Y85 HydrophobicContact CD1-CE1 4.09Å; L12-Y85 HydrophobicContact CD1-CG 3.53Å; L12-T104 HydrophobicContact CD2-CG2 4.24Å; L12-L106 HydrophobicContact CD1-CD1 4.14Å; L12-L106 HydrophobicContact CD2-CD1 3.93Å; L12-L106 HydrophobicContact CD2-CG 4.48Å; L12-L106 HydrophobicContact CG-CD1 4.35Å
13	T	96.7	Very high	91.3	Very high	69 Å²	69	61.6 Å²	61.6	42%	0.423	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.1	179.6	-56.5	0	0	0	0	109.3	Q69 F71	T13-Q69 HydrophobicContact CG2-CB 4.42Å; T13-Q69 HydrophobicContact CG2-CG 4.22Å; T13-F71 HydrophobicContact CG2-CD1 3.79Å; T13-F71 HydrophobicContact CG2-CE1 3.43Å; T13-F71 VanDerWaalsContact CG2-CE1 3.43Å; T13-F71 HydrophobicContact CG2-CZ 4.33Å; T13-F71 VanDerWaalsContact OG1-CD1 3.29Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.36Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.32Å
14	C	95.9	Very high	91.4	Very high	11 Å²	11	55.5 Å²	55.5	7%	0.074	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124.2	164.2	-174.1	0	0	0	0	109.2	W28 Q69 F70 C87	C14-W28 HydrophobicContact CB-CH2 4.02Å; C14-W28 HydrophobicContact CB-CZ2 4.01Å; C14-Q69 VanDerWaalsContact O-CA 3.31Å; C14-Q69 WeakPolarHBondContact O-CA 3.46Å; C14-F70 HydrophobicContact CB-CD1 3.96Å; C14-F70 HydrophobicContact CB-CE1 3.47Å; C14-F70 VanDerWaalsContact CB-CE1 3.47Å; C14-F70 HydrophobicContact CB-CE2 4.13Å; C14-F70 HydrophobicContact CB-CG 4.49Å; C14-F70 HydrophobicContact CB-CZ 3.59Å; C14-F70 PolarHBondContact N-O 3.05Å; C14-F70 PolarHBondContact O-N 3.19Å; C14-F70 VanDerWaalsContact SG-CE1 3.54Å; C14-C87 HydrophobicContact CB-CB 3.49Å; C14-C87 VanDerWaalsContact CB-CB 3.49Å; C14-C87 WeakPolarHBondContact CB-SG 3.31Å; C14-C87 WeakPolarHBondContact SG-CB 3.49Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 3.38Å
15	S	95.4	Very high	91.7	Very high	72 Å²	72	56.3 Å²	56.3	50%	0.503	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	125.3	175	-54.6	0	0	0	0	108.7	Q69	S15-Q69 WeakPolarHBondContact OG-CG 3.44Å; S15-Q69 PolarHBondContact OG-NE2 2.81Å
16	V	92.5	Very high	91.9	Very high	20 Å²	20	50.4 Å²	50.4	12%	0.121	33%	0.333	C	S	.	.			trans	-94.1	132.4	-179.9	180	0	0	0	0	109.1	D19 I21 W26 N68 F70	V16-D19 HydrophobicContact CG1-CB 3.97Å; V16-D19 WeakPolarHBondContact CG1-O 3.41Å; V16-I21 HydrophobicContact CB-CG2 4Å; V16-I21 HydrophobicContact CG2-CG2 3.56Å; V16-W26 HydrophobicContact CB-CH2 4.21Å; V16-W26 HydrophobicContact CB-CZ2 4.44Å; V16-W26 HydrophobicContact CG1-CH2 3.55Å; V16-W26 HydrophobicContact CG1-CZ2 3.79Å; V16-W26 HydrophobicContact CG1-CZ3 4.43Å; V16-W26 HydrophobicContact CG2-CD2 4.32Å; V16-W26 HydrophobicContact CG2-CE3 4.05Å; V16-W26 HydrophobicContact CG2-CH2 3.53Å; V16-W26 HydrophobicContact CG2-CZ2 3.84Å; V16-W26 HydrophobicContact CG2-CZ3 3.65Å; V16-N68 PolarHBondContact N-O 2.78Å; V16-N68 PolarHBondContact O-ND2 2.91Å; V16-F70 HydrophobicContact CG2-CD1 4.39Å; V16-F70 HydrophobicContact CG2-CE1 4.09Å
17	S	91.3	Very high	92.1	Very high	112 Å²	112	48.3 Å²	48.3	78%	0.783	32%	0.319	S	S	*	.			trans	-124.5	141.7	174.5	57.4	0	0	0	0	109.7	D19	S17-D19 PolarHBondContact O-N 3.01Å
18	G	87.4	Confident	92.3	Very high	94 Å²	94	43.9 Å²	43.9	97%	0.969	29%	0.287	S	S	*	.	S	Bend	trans	75.7	-0.7	-178.3	0	0	0	0	0	115.7
19	D	85.9	Confident	92.6	Very high	49 Å²	49	39.6 Å²	39.6	26%	0.262	27%	0.267	S	S	.	.	S	Bend	trans	-149.2	174.9	174.5	-173.7	28	0	0	0	110.1	V16 S17 S23 N68 R89	V16-D19 HydrophobicContact CG1-CB 3.97Å; V16-D19 WeakPolarHBondContact CG1-O 3.41Å; S17-D19 PolarHBondContact O-N 3.01Å; D19-S23 WeakPolarHBondContact OD1-CB 3.46Å; D19-S23 PolarHBondContact OD1-OG 3.41Å; D19-S23 PolarHBondContact OD2-OG 3.08Å; D19-N68 PolarHBondContact O-ND2 2.88Å; D19-R89 IonicContact OD1-NH1 3.85Å; D19-R89 WeakPolarHBondContact OD2-CD 3.46Å; D19-R89 IonicContact OD2-CZ 2.63Å; D19-R89 IonicContact OD2-NE 3.57Å; D19-R89 IonicContact OD2-NH1 3.08Å; D19-R89 PolarHBondContact OD2-NH1 2.91Å
20	S	90.1	Very high	92.8	Very high	41 Å²	41	36.7 Å²	36.7	29%	0.287	25%	0.248	S	C	.	.			trans	-108.5	140.6	176.2	-178.2	0	0	0	0	112.6	T22 S23 N68	S20-T22 PolarHBondContact O-N 2.76Å; S20-T22 PolarHBondContact OG-N 2.78Å; S20-T22 VanDerWaalsContact OG-N 3.12Å; S20-T22 PolarHBondContact OG-OG1 3.34Å; S20-S23 WeakPolarHBondContact O-CB 3.23Å; S20-S23 PolarHBondContact O-N 2.93Å; S20-S23 PolarHBondContact O-OG 3.25Å; S20-N68 WeakPolarHBondContact CA-OD1 3.29Å
21	I	91.5	Very high	93	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.015	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-10.8	170.1	66	171.5	0	0	0	113.4	V16 W26 R63 D64 T65 N68 Q69 F70	V16-I21 HydrophobicContact CB-CG2 4Å; V16-I21 HydrophobicContact CG2-CG2 3.56Å; I21-W26 VanDerWaalsContact CA-NE1 3.3Å; I21-W26 VanDerWaalsContact O-CD1 3.31Å; I21-W26 PolarHBondContact O-NE1 2.63Å; I21-R63 HydrophobicContact CD1-CB 3.95Å; I21-D64 WeakPolarHBondContact CD1-O 3.22Å; I21-T65 HydrophobicContact CD1-CG2 3.95Å; I21-T65 HydrophobicContact CG1-CG2 4.17Å; I21-N68 PolarHBondContact N-OD1 2.88Å; I21-Q69 WeakPolarHBondContact CD1-O 3.43Å; I21-F70 HydrophobicContact CG2-CD1 4.1Å
22	T	90.6	Very high	93.1	Very high	68 Å²	68	35.4 Å²	35.4	42%	0.417	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	8.3	175.8	67.6	0	0	0	0	113.3	S20 Y45 T65	S20-T22 PolarHBondContact O-N 2.76Å; S20-T22 PolarHBondContact OG-N 2.78Å; S20-T22 VanDerWaalsContact OG-N 3.12Å; S20-T22 PolarHBondContact OG-OG1 3.34Å; T22-Y45 WeakPolarHBondContact O-CB 3.14Å; T22-T65 HydrophobicContact CG2-CG2 3.63Å
23	S	86.1	Confident	92.8	Very high	39 Å²	39	39.5 Å²	39.5	27%	0.273	26%	0.259	S	S	.	.	S	Bend	trans	-89.1	-21.9	-178.9	71	0	0	0	0	113.6	D19 S20 Y91	D19-S23 WeakPolarHBondContact OD1-CB 3.46Å; D19-S23 PolarHBondContact OD1-OG 3.41Å; D19-S23 PolarHBondContact OD2-OG 3.08Å; S20-S23 WeakPolarHBondContact O-CB 3.23Å; S20-S23 PolarHBondContact O-N 2.93Å; S20-S23 PolarHBondContact O-OG 3.25Å; S23-Y91 VanDerWaalsContact O-CE1 3.26Å; S23-Y91 WeakPolarHBondContact O-CE1 3.44Å
24	G	88.2	Confident	92.5	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.01	27%	0.274	C	S	.	.	S	Bend	trans	-164.7	-144.5	-170	0	0	0	0	0	114.4	N44 Y45	G24-N44 CarbonylContact O-C 3.55Å; G24-N44 WeakPolarHBondContact O-CA 3.48Å; G24-Y45 PolarHBondContact O-N 3.13Å
25	Y	93.3	Very high	92.2	Very high	26 Å²	26	45.1 Å²	45.1	10%	0.102	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125	-178.3	-68.2	-110.2	0	0	0	108.3	N27 Y42 N44 Y45 R89 D90 Y92	Y25-N27 PolarHBondContact O-ND2 3.08Å; Y25-Y42 AromaticContact CD1-CD2 3.75Å; Y25-Y42 HydrophobicContact CD1-CD2 3.75Å; Y25-Y42 HydrophobicContact CD1-CE1 4.39Å; Y25-Y42 AromaticContact CD1-CE2 3.61Å; Y25-Y42 HydrophobicContact CD1-CE2 3.61Å; Y25-Y42 HydrophobicContact CD1-CG 4.27Å; Y25-Y42 AromaticContact CD1-CZ 3.96Å; Y25-Y42 HydrophobicContact CE1-CD2 4.46Å; Y25-Y42 AromaticContact CE1-CE2 3.87Å; Y25-Y42 HydrophobicContact CE1-CE2 3.87Å; Y25-N44 HydrophobicContact CD1-CB 3.6Å; Y25-N44 HydrophobicContact CE1-CB 3.6Å; Y25-N44 HydrophobicContact CG-CB 4.1Å; Y25-Y45 HydrophobicContact CE2-CD1 4.38Å; Y25-Y45 HydrophobicContact CE2-CE1 4.27Å; Y25-R89 WeakPolarHBondContact O-CA 3.35Å; Y25-D90 WeakPolarHBondContact CB-OD1 3.21Å; Y25-D90 PolarHBondContact N-O 2.89Å; Y25-D90 PolarHBondContact O-N 2.91Å; Y25-Y92 HydrophobicContact CE2-CD2 4.41Å; Y25-Y92 AromaticContact CZ-CD2 3.91Å; Y25-Y92 VanDerWaalsContact OH-CD2 3.25Å; Y25-Y92 WeakPolarHBondContact OH-CD2 3.18Å
26	W	94.6	Very high	92.2	Very high	15 Å²	15	48.5 Å²	48.5	6%	0.057	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	116.7	-175.6	-70	95.3	0	0	0	109.4	V16 I21 Y42 I43 F70 R89	V16-W26 HydrophobicContact CB-CH2 4.21Å; V16-W26 HydrophobicContact CB-CZ2 4.44Å; V16-W26 HydrophobicContact CG1-CH2 3.55Å; V16-W26 HydrophobicContact CG1-CZ2 3.79Å; V16-W26 HydrophobicContact CG1-CZ3 4.43Å; V16-W26 HydrophobicContact CG2-CD2 4.32Å; V16-W26 HydrophobicContact CG2-CE3 4.05Å; V16-W26 HydrophobicContact CG2-CH2 3.53Å; V16-W26 HydrophobicContact CG2-CZ2 3.84Å; V16-W26 HydrophobicContact CG2-CZ3 3.65Å; I21-W26 VanDerWaalsContact CA-NE1 3.3Å; I21-W26 VanDerWaalsContact O-CD1 3.31Å; I21-W26 PolarHBondContact O-NE1 2.63Å; W26-Y42 CarbonylContact O-C 3.52Å; W26-Y42 WeakPolarHBondContact O-CA 3.42Å; W26-Y42 WeakPolarHBondContact O-CB 3.48Å; W26-I43 HydrophobicContact CB-CG2 4.37Å; W26-I43 PolarHBondContact N-O 3.14Å; W26-I43 PolarHBondContact O-N 2.88Å; W26-F70 HydrophobicContact CB-CD1 4.08Å; W26-F70 HydrophobicContact CB-CD2 4.17Å; W26-F70 HydrophobicContact CB-CE1 3.8Å; W26-F70 HydrophobicContact CB-CE2 3.91Å; W26-F70 HydrophobicContact CB-CG 4.24Å; W26-F70 HydrophobicContact CB-CZ 3.68Å; W26-F70 HydrophobicContact CD2-CD1 4.48Å; W26-F70 AromaticContact CD2-CE1 3.87Å; W26-F70 HydrophobicContact CD2-CE1 3.87Å; W26-F70 HydrophobicContact CD2-CZ 4.33Å; W26-F70 AromaticContact CE3-CE1 3.57Å; W26-F70 HydrophobicContact CE3-CE1 3.57Å; W26-F70 AromaticContact CE3-CZ 3.87Å; W26-F70 HydrophobicContact CE3-CZ 3.87Å; W26-F70 HydrophobicContact CG-CD1 4.3Å; W26-F70 AromaticContact CG-CE1 4Å; W26-F70 HydrophobicContact CG-CE1 4Å; W26-F70 HydrophobicContact CG-CZ 4.3Å; W26-F70 HydrophobicContact CZ3-CE1 4.4Å; W26-R89 HydrophobicContact CD2-CB 4.42Å; W26-R89 HydrophobicContact CD2-CG 4.27Å; W26-R89 HydrophobicContact CE3-CB 3.96Å; W26-R89 HydrophobicContact CE3-CG 4.29Å; W26-R89 HydrophobicContact CH2-CB 3.89Å; W26-R89 HydrophobicContact CH2-CG 3.94Å; W26-R89 HydrophobicContact CZ2-CB 4.32Å; W26-R89 HydrophobicContact CZ2-CG 3.87Å; W26-R89 HydrophobicContact CZ3-CB 3.69Å; W26-R89 HydrophobicContact CZ3-CG 4.15Å
27	N	95.6	Very high	92.3	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.016	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	148.9	-166.7	-64.8	-98	0	0	0	110.6	Y25 W39 G41 Y42 C87 A88 D90 F97	Y25-N27 PolarHBondContact O-ND2 3.08Å; N27-W39 PolarHBondContact OD1-NE1 3.42Å; N27-G41 WeakPolarHBondContact CA-O 3.32Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.4Å; N27-C87 CarbonylContact O-C 3.47Å; N27-C87 VanDerWaalsContact O-CA 3.28Å; N27-C87 WeakPolarHBondContact O-CA 3.21Å; N27-A88 HydrophobicContact CB-CB 4.48Å; N27-A88 PolarHBondContact N-O 2.81Å; N27-A88 PolarHBondContact O-N 2.82Å; N27-D90 PolarHBondContact ND2-OD1 3.2Å; N27-F97 HydrophobicContact CB-CE1 3.99Å; N27-F97 HydrophobicContact CB-CZ 4.48Å; N27-F97 WeakPolarHBondContact ND2-CE1 3.15Å
28	W	97	Very high	92.5	Very high	6 Å²	6	48.5 Å²	48.5	2%	0.023	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129.7	165.3	-76.5	100.5	0	0	0	110.1	L12 C14 M40 G41 F70 L72	L12-W28 HydrophobicContact CB-CH2 3.6Å; L12-W28 HydrophobicContact CB-CZ2 4.2Å; L12-W28 HydrophobicContact CB-CZ3 3.92Å; L12-W28 HydrophobicContact CD1-CZ3 4.25Å; C14-W28 HydrophobicContact CB-CH2 4.02Å; C14-W28 HydrophobicContact CB-CZ2 4.01Å; W28-M40 HydrophobicContact CB-CB 4.14Å; W28-M40 WeakPolarHBondContact O-CB 3.34Å; W28-M40 PolarHBondContact O-N 2.84Å; W28-G41 PolarHBondContact N-O 3.12Å; W28-F70 AromaticContact CD1-CE2 3.83Å; W28-F70 HydrophobicContact CD2-CE2 4.33Å; W28-F70 AromaticContact CE2-CD2 3.9Å; W28-F70 AromaticContact CE2-CE2 3.63Å; W28-F70 HydrophobicContact CG-CE2 4.45Å; W28-F70 HydrophobicContact CZ2-CD2 4.22Å; W28-F70 HydrophobicContact CZ2-CE2 4.05Å; W28-F70 AromaticContact NE1-CD2 3.28Å; W28-F70 VanDerWaalsContact NE1-CD2 3.28Å; W28-F70 AromaticContact NE1-CE2 3.28Å; W28-F70 VanDerWaalsContact NE1-CE2 3.28Å; W28-L72 HydrophobicContact CB-CD2 3.97Å; W28-L72 HydrophobicContact CD2-CB 3.64Å; W28-L72 HydrophobicContact CD2-CD2 3.8Å; W28-L72 HydrophobicContact CD2-CG 4.32Å; W28-L72 HydrophobicContact CE3-CB 4.33Å; W28-L72 HydrophobicContact CE3-CD2 4Å; W28-L72 HydrophobicContact CG-CB 3.81Å; W28-L72 HydrophobicContact CG-CD1 4.46Å; W28-L72 HydrophobicContact CG-CD2 3.8Å; W28-L72 HydrophobicContact CG-CG 4.25Å; W28-L72 HydrophobicContact CZ2-CB 3.9Å
29	I	96.8	Very high	92.9	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.026	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	128.6	-178	-56.8	171.4	0	0	0	108.1	L37 E38 Y86 A88 F97 W100	I29-L37 HydrophobicContact CG2-CB 4.29Å; I29-L37 HydrophobicContact CG2-CD2 4.04Å; I29-E38 WeakPolarHBondContact CA-O 3.35Å; I29-Y86 PolarHBondContact N-O 3.01Å; I29-Y86 PolarHBondContact O-N 3Å; I29-A88 HydrophobicContact CD1-CB 3.78Å; I29-F97 HydrophobicContact CD1-CD2 3.93Å; I29-F97 HydrophobicContact CD1-CE1 4.45Å; I29-F97 HydrophobicContact CD1-CE2 3.56Å; I29-F97 HydrophobicContact CD1-CZ 3.86Å; I29-W100 HydrophobicContact CB-CH2 4.47Å; I29-W100 HydrophobicContact CB-CZ3 4.19Å; I29-W100 HydrophobicContact CD1-CE3 4.48Å; I29-W100 HydrophobicContact CD1-CH2 3.31Å; I29-W100 HydrophobicContact CD1-CZ2 3.93Å; I29-W100 HydrophobicContact CD1-CZ3 3.63Å; I29-W100 HydrophobicContact CG1-CH2 4.46Å; I29-W100 HydrophobicContact CG1-CZ3 4.5Å; I29-W100 HydrophobicContact CG2-CH2 4.16Å; I29-W100 HydrophobicContact CG2-CZ3 4.12Å
30	R	96.7	Very high	93.4	Very high	11 Å²	11	45.5 Å²	45.5	4%	0.042	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	134.6	172.9	175.3	170.6	65.4	-175.8	5.8	109.9	F32 L37 E38 M40 D81 T84 Y85	R30-F32 VanDerWaalsContact CZ-CZ 3.47Å; R30-F32 VanDerWaalsContact NE-CZ 3.28Å; R30-L37 CarbonylContact O-C 3.59Å; R30-L37 WeakPolarHBondContact O-CA 3.43Å; R30-E38 IonicContact CZ-OE2 3.56Å; R30-E38 PolarHBondContact N-O 2.98Å; R30-E38 IonicContact NE-OE2 3.8Å; R30-E38 PolarHBondContact NE-OE2 2.92Å; R30-E38 VanDerWaalsContact NE-OE2 3.08Å; R30-E38 IonicContact NH2-OE2 2.72Å; R30-E38 PolarHBondContact NH2-OE2 2.81Å; R30-E38 PolarHBondContact O-N 3.16Å; R30-M40 HydrophobicContact CB-CG 4.23Å; R30-M40 HydrophobicContact CB-SD 3.83Å; R30-D81 IonicContact CZ-OD1 3.18Å; R30-D81 VanDerWaalsContact NH1-CA 3.34Å; R30-D81 IonicContact NH1-OD1 3.39Å; R30-D81 PolarHBondContact NH1-OD1 2.74Å; R30-T84 CarbonylContact C-O 3.53Å; R30-Y85 HydrophobicContact CB-CD1 4.29Å; R30-Y85 HydrophobicContact CB-CE1 4.18Å; R30-Y85 HydrophobicContact CG-CE1 4.26Å; R30-Y85 HydrophobicContact CG-CE2 4.43Å
31	Q	97.3	Very high	93.7	Very high	40 Å²	40	43.6 Å²	43.6	19%	0.187	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	119.3	167.9	-171.5	-179.9	35.3	0	0	109.6	N35 K36 L37 G83 T84 Y86	Q31-N35 PolarHBondContact NE2-OD1 2.91Å; Q31-K36 CarbonylContact C-O 3.49Å; Q31-K36 WeakPolarHBondContact CA-O 3.46Å; Q31-L37 HydrophobicContact CB-CD2 3.61Å; Q31-L37 HydrophobicContact CG-CD2 3.76Å; Q31-G83 CarbonylContact O-C 3.6Å; Q31-G83 WeakPolarHBondContact O-CA 3.03Å; Q31-T84 PolarHBondContact N-O 2.87Å; Q31-T84 PolarHBondContact O-N 2.86Å; Q31-Y86 HydrophobicContact CB-CD2 4.28Å; Q31-Y86 HydrophobicContact CB-CE2 3.61Å; Q31-Y86 HydrophobicContact CG-CE2 4.49Å; Q31-Y86 PolarHBondContact OE1-OH 3.12Å
32	F	95.4	Very high	93.9	Very high	45 Å²	45	46.4 Å²	46.4	20%	0.197	25%	0.25	C	S	.	.			trans	-75.9	159.1	175	-66.5	-85.6	0	0	0	111.5	R30 G34 N35 K36 E38 E80	R30-F32 VanDerWaalsContact CZ-CZ 3.47Å; R30-F32 VanDerWaalsContact NE-CZ 3.28Å; F32-G34 PolarHBondContact O-N 2.87Å; F32-N35 PolarHBondContact O-N 2.86Å; F32-K36 HydrophobicContact CB-CB 4.42Å; F32-K36 HydrophobicContact CD2-CB 4.27Å; F32-K36 HydrophobicContact CD2-CD 4.32Å; F32-K36 HydrophobicContact CD2-CG 4.33Å; F32-K36 PolarHBondContact N-O 2.85Å; F32-E38 HydrophobicContact CE2-CB 3.8Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.48Å; F32-E80 WeakPolarHBondContact CE1-O 3.35Å
33	P	90.3	Very high	94.1	Very high	99 Å²	99	43.6 Å²	43.6	64%	0.643	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.5	126.9	160.1	-23.3	33.7	0	0	0	109.8	T82	P33-T82 WeakPolarHBondContact CD-O 3.34Å; P33-T82 HydrophobicContact CG-CG2 4.3Å
34	G	91.4	Very high	94.5	Very high	72 Å²	72	42.3 Å²	42.3	74%	0.742	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.3	13.8	-172	0	0	0	0	0	115.2	F32 K36	F32-G34 PolarHBondContact O-N 2.87Å; G34-K36 VanDerWaalsContact C-N 3.27Å; G34-K36 PolarHBondContact O-N 2.78Å
35	N	88.9	Confident	94.6	Very high	126 Å²	126	48.2 Å²	48.2	67%	0.674	25%	0.245	S	C	*	.	S	Bend	trans	67.7	11.1	168.8	-59.1	-42.9	0	0	0	116.7	Q31 F32 L37	Q31-N35 PolarHBondContact NE2-OD1 2.91Å; F32-N35 PolarHBondContact O-N 2.86Å; N35-L37 PolarHBondContact O-N 2.93Å
36	K	94.6	Very high	94.6	Very high	144 Å²	144	50.1 Å²	50.1	63%	0.626	26%	0.263	S	S	*	.			trans	-70.1	128	170.7	-176.9	-175.8	176	-172.4	0	109.8	Q31 F32 G34	Q31-K36 CarbonylContact C-O 3.49Å; Q31-K36 WeakPolarHBondContact CA-O 3.46Å; F32-K36 HydrophobicContact CB-CB 4.42Å; F32-K36 HydrophobicContact CD2-CB 4.27Å; F32-K36 HydrophobicContact CD2-CD 4.32Å; F32-K36 HydrophobicContact CD2-CG 4.33Å; F32-K36 PolarHBondContact N-O 2.85Å; G34-K36 VanDerWaalsContact C-N 3.27Å; G34-K36 PolarHBondContact O-N 2.78Å
37	L	95.2	Very high	94.5	Very high	91 Å²	91	50.9 Å²	50.9	48%	0.476	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	143.9	173.7	-63.7	174.9	0	0	0	111.2	I29 R30 Q31 N35 W100	I29-L37 HydrophobicContact CG2-CB 4.29Å; I29-L37 HydrophobicContact CG2-CD2 4.04Å; R30-L37 CarbonylContact O-C 3.59Å; R30-L37 WeakPolarHBondContact O-CA 3.43Å; Q31-L37 HydrophobicContact CB-CD2 3.61Å; Q31-L37 HydrophobicContact CG-CD2 3.76Å; N35-L37 PolarHBondContact O-N 2.93Å; L37-W100 HydrophobicContact CD1-CH2 4.27Å
38	E	96.1	Very high	94.5	Very high	40 Å²	40	53.8 Å²	53.8	19%	0.187	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	119.8	173	177.6	179.1	-120.7	0	0	109.4	I29 R30 F32	I29-E38 WeakPolarHBondContact CA-O 3.35Å; R30-E38 IonicContact CZ-OE2 3.56Å; R30-E38 PolarHBondContact N-O 2.98Å; R30-E38 IonicContact NE-OE2 3.8Å; R30-E38 PolarHBondContact NE-OE2 2.92Å; R30-E38 VanDerWaalsContact NE-OE2 3.08Å; R30-E38 IonicContact NH2-OE2 2.72Å; R30-E38 PolarHBondContact NH2-OE2 2.81Å; R30-E38 PolarHBondContact O-N 3.16Å; F32-E38 HydrophobicContact CE2-CB 3.8Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.48Å
39	W	95.6	Very high	94.4	Very high	81 Å²	81	56.1 Å²	56.1	31%	0.307	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	128.9	169.3	176.7	81.8	0	0	0	109.3	N27 Y42 Y51 N52	N27-W39 PolarHBondContact OD1-NE1 3.42Å; W39-Y42 HydrophobicContact CH2-CD1 4.49Å; W39-Y42 AromaticContact CZ2-CD1 3.59Å; W39-Y42 HydrophobicContact CZ2-CD1 3.59Å; W39-Y42 HydrophobicContact CZ2-CE1 4.23Å; W39-Y42 HydrophobicContact CZ2-CG 4.39Å; W39-Y51 VanDerWaalsContact CZ3-C 3.45Å; W39-N52 HydrophobicContact CE3-CB 4.08Å; W39-N52 HydrophobicContact CZ3-CB 4.17Å; W39-N52 VanDerWaalsContact CZ3-N 3.32Å; W39-N52 WeakPolarHBondContact O-CB 3.49Å; W39-N52 PolarHBondContact O-ND2 2.66Å
40	M	96.5	Very high	94.3	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-40.4	-176.5	-59.7	-175.3	71	0	0	111.7	W28 R30 N52 L55 I59 L72 Y85	W28-M40 HydrophobicContact CB-CB 4.14Å; W28-M40 WeakPolarHBondContact O-CB 3.34Å; W28-M40 PolarHBondContact O-N 2.84Å; R30-M40 HydrophobicContact CB-CG 4.23Å; R30-M40 HydrophobicContact CB-SD 3.83Å; M40-N52 WeakPolarHBondContact O-CB 3Å; M40-N52 PolarHBondContact O-N 3.47Å; M40-L55 HydrophobicContact CB-CD1 4.12Å; M40-L55 HydrophobicContact CE-CD1 4.15Å; M40-L55 HydrophobicContact CG-CD1 3.94Å; M40-I59 HydrophobicContact CB-CD1 3.97Å; M40-I59 HydrophobicContact CE-CD1 4.48Å; M40-I59 HydrophobicContact CE-CG2 3.86Å; M40-I59 WeakPolarHBondContact O-CD1 3.49Å; M40-L72 HydrophobicContact CE-CD2 3.77Å; M40-L72 HydrophobicContact SD-CD2 3.8Å; M40-Y85 HydrophobicContact CE-CE1 3.89Å; M40-Y85 HydrophobicContact SD-CD1 3.75Å; M40-Y85 HydrophobicContact SD-CE1 3.62Å
41	G	96	Very high	94.3	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.2	173.2	-175.3	0	0	0	0	0	111.8	N27 W28 S50	N27-G41 WeakPolarHBondContact CA-O 3.32Å; W28-G41 PolarHBondContact N-O 3.12Å; G41-S50 CarbonylContact C-O 3.53Å; G41-S50 WeakPolarHBondContact CA-O 3.18Å
42	Y	95.6	Very high	94.3	Very high	63 Å²	63	59.2 Å²	59.2	25%	0.247	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	162	171.4	71.9	-113.2	0	0	0	112.2	Y25 W26 N27 W39 N44 T49 S50	Y25-Y42 AromaticContact CD1-CD2 3.75Å; Y25-Y42 HydrophobicContact CD1-CD2 3.75Å; Y25-Y42 HydrophobicContact CD1-CE1 4.39Å; Y25-Y42 AromaticContact CD1-CE2 3.61Å; Y25-Y42 HydrophobicContact CD1-CE2 3.61Å; Y25-Y42 HydrophobicContact CD1-CG 4.27Å; Y25-Y42 AromaticContact CD1-CZ 3.96Å; Y25-Y42 HydrophobicContact CE1-CD2 4.46Å; Y25-Y42 AromaticContact CE1-CE2 3.87Å; Y25-Y42 HydrophobicContact CE1-CE2 3.87Å; W26-Y42 CarbonylContact O-C 3.52Å; W26-Y42 WeakPolarHBondContact O-CA 3.42Å; W26-Y42 WeakPolarHBondContact O-CB 3.48Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.4Å; W39-Y42 HydrophobicContact CH2-CD1 4.49Å; W39-Y42 AromaticContact CZ2-CD1 3.59Å; W39-Y42 HydrophobicContact CZ2-CD1 3.59Å; W39-Y42 HydrophobicContact CZ2-CE1 4.23Å; W39-Y42 HydrophobicContact CZ2-CG 4.39Å; Y42-N44 HydrophobicContact CD2-CB 4.37Å; Y42-N44 HydrophobicContact CE2-CB 4.21Å; Y42-T49 VanDerWaalsContact O-CA 3.22Å; Y42-T49 WeakPolarHBondContact O-CA 3.37Å; Y42-S50 PolarHBondContact N-O 2.05Å; Y42-S50 PolarHBondContact O-N 2.79Å
43	I	95.8	Very high	94.2	Very high	9 Å²	9	62.5 Å²	62.5	5%	0.046	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.5	160.2	-170	162.1	0	0	0	109.3	W26 S48 T49 I61 R63 F70	W26-I43 HydrophobicContact CB-CG2 4.37Å; W26-I43 PolarHBondContact N-O 3.14Å; W26-I43 PolarHBondContact O-N 2.88Å; I43-S48 WeakPolarHBondContact CA-O 3.08Å; I43-T49 HydrophobicContact CB-CG2 4.07Å; I43-T49 HydrophobicContact CD1-CG2 3.93Å; I43-T49 HydrophobicContact CG1-CG2 3.89Å; I43-I61 HydrophobicContact CB-CG2 3.75Å; I43-I61 HydrophobicContact CG2-CG2 3.78Å; I43-R63 HydrophobicContact CD1-CB 4.01Å; I43-R63 HydrophobicContact CD1-CG 3.78Å; I43-F70 HydrophobicContact CG2-CB 4.2Å; I43-F70 HydrophobicContact CG2-CD2 4.37Å
44	N	93.5	Very high	94.3	Very high	12 Å²	12	62.6 Å²	62.6	6%	0.064	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	176.8	-178.6	77	-2.3	0	0	0	112.1	G24 Y25 Y42 S46 G47 S48 R63	G24-N44 CarbonylContact O-C 3.55Å; G24-N44 WeakPolarHBondContact O-CA 3.48Å; Y25-N44 HydrophobicContact CD1-CB 3.6Å; Y25-N44 HydrophobicContact CE1-CB 3.6Å; Y25-N44 HydrophobicContact CG-CB 4.1Å; Y42-N44 HydrophobicContact CD2-CB 4.37Å; Y42-N44 HydrophobicContact CE2-CB 4.21Å; N44-S46 PolarHBondContact ND2-OG 3.01Å; N44-S46 PolarHBondContact O-N 2.91Å; N44-S46 PolarHBondContact OD1-N 2.72Å; N44-S46 PolarHBondContact OD1-OG 2.96Å; N44-G47 WeakPolarHBondContact O-CA 3.33Å; N44-G47 PolarHBondContact O-N 2.84Å; N44-G47 PolarHBondContact OD1-N 3.49Å; N44-S48 PolarHBondContact N-O 3.34Å; N44-S48 WeakPolarHBondContact OD1-CA 3.5Å; N44-S48 WeakPolarHBondContact OD1-CB 3.42Å; N44-S48 PolarHBondContact OD1-N 2.93Å; N44-S48 PolarHBondContact OD1-O 3.12Å; N44-R63 PolarHBondContact O-NH1 2.69Å
45	Y	91.2	Very high	94.4	Very high	124 Å²	124	59.7 Å²	59.7	49%	0.486	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.2	177.5	66.9	-88.4	0	0	0	114.8	T22 G24 Y25 G47 R63	T22-Y45 WeakPolarHBondContact O-CB 3.14Å; G24-Y45 PolarHBondContact O-N 3.13Å; Y25-Y45 HydrophobicContact CE2-CD1 4.38Å; Y25-Y45 HydrophobicContact CE2-CE1 4.27Å; Y45-G47 VanDerWaalsContact C-N 3.33Å; Y45-R63 VanDerWaalsContact O-CZ 3.27Å; Y45-R63 PolarHBondContact O-NH1 3.31Å; Y45-R63 PolarHBondContact O-NH2 2.89Å
46	S	92.1	Very high	94.5	Very high	67 Å²	67	60.2 Å²	60.2	47%	0.469	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-7	173.4	62.7	0	0	0	0	113.4	N44 S48 R63	N44-S46 PolarHBondContact ND2-OG 3.01Å; N44-S46 PolarHBondContact O-N 2.91Å; N44-S46 PolarHBondContact OD1-N 2.72Å; N44-S46 PolarHBondContact OD1-OG 2.96Å; S46-S48 PolarHBondContact OG-OG 2.99Å; S46-S48 VanDerWaalsContact OG-OG 3.09Å; S46-R63 VanDerWaalsContact C-NH2 3.28Å
47	G	93.5	Very high	94.4	Very high	30 Å²	30	58.7 Å²	58.7	31%	0.309	33%	0.329	S	S	.	.	S	Bend	trans	87	6.8	-176.9	0	0	0	0	0	113.5	N44 Y45 R63	N44-G47 WeakPolarHBondContact O-CA 3.33Å; N44-G47 PolarHBondContact O-N 2.84Å; N44-G47 PolarHBondContact OD1-N 3.49Å; Y45-G47 VanDerWaalsContact C-N 3.33Å; G47-R63 VanDerWaalsContact CA-CZ 3.47Å; G47-R63 VanDerWaalsContact N-CZ 3.31Å; G47-R63 VanDerWaalsContact N-NH2 3.19Å
48	S	94.4	Very high	94.4	Very high	64 Å²	64	57 Å²	57	45%	0.448	32%	0.317	S	S	.	.			trans	-75	136.8	174.1	-52.1	0	0	0	0	110.1	I43 N44 S46	I43-S48 WeakPolarHBondContact CA-O 3.08Å; N44-S48 PolarHBondContact N-O 3.34Å; N44-S48 WeakPolarHBondContact OD1-CA 3.5Å; N44-S48 WeakPolarHBondContact OD1-CB 3.42Å; N44-S48 PolarHBondContact OD1-N 2.93Å; N44-S48 PolarHBondContact OD1-O 3.12Å; S46-S48 PolarHBondContact OG-OG 2.99Å; S46-S48 VanDerWaalsContact OG-OG 3.09Å
49	T	95.9	Very high	94.3	Very high	55 Å²	55	55.1 Å²	55.1	34%	0.337	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	143.1	-176.2	56.7	0	0	0	0	112	Y42 I43 Y51 I61	Y42-T49 VanDerWaalsContact O-CA 3.22Å; Y42-T49 WeakPolarHBondContact O-CA 3.37Å; I43-T49 HydrophobicContact CB-CG2 4.07Å; I43-T49 HydrophobicContact CD1-CG2 3.93Å; I43-T49 HydrophobicContact CG1-CG2 3.89Å; T49-Y51 WeakPolarHBondContact CB-OH 3.28Å; T49-Y51 VanDerWaalsContact OG1-CE2 3.23Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.39Å; T49-Y51 PolarHBondContact OG1-OH 3.1Å; T49-I61 HydrophobicContact CG2-CB 4.43Å
50	S	95.3	Very high	94.3	Very high	44 Å²	44	53.4 Å²	53.4	31%	0.308	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	151.2	165.5	-169.2	0	0	0	0	109.6	G41 Y42	G41-S50 CarbonylContact C-O 3.53Å; G41-S50 WeakPolarHBondContact CA-O 3.18Å; Y42-S50 PolarHBondContact N-O 2.05Å; Y42-S50 PolarHBondContact O-N 2.79Å
51	Y	96.5	Very high	94.4	Very high	47 Å²	47	53.8 Å²	53.8	18%	0.184	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	151.4	-172.9	-57.4	-82.1	0	0	0	110.7	W39 T49 P53 K56 I59 I61	W39-Y51 VanDerWaalsContact CZ3-C 3.45Å; T49-Y51 WeakPolarHBondContact CB-OH 3.28Å; T49-Y51 VanDerWaalsContact OG1-CE2 3.23Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.39Å; T49-Y51 PolarHBondContact OG1-OH 3.1Å; Y51-P53 WeakPolarHBondContact O-CD 3.38Å; Y51-K56 HydrophobicContact CD2-CD 4.42Å; Y51-K56 HydrophobicContact CD2-CG 3.98Å; Y51-K56 HydrophobicContact CG-CB 4.41Å; Y51-K56 HydrophobicContact CG-CG 4.09Å; Y51-I59 HydrophobicContact CD1-CD1 3.97Å; Y51-I59 HydrophobicContact CD1-CG1 4.11Å; Y51-I59 WeakPolarHBondContact CD1-O 3.4Å; Y51-I59 WeakPolarHBondContact CE1-O 3.42Å; Y51-I61 HydrophobicContact CD1-CD1 4.09Å; Y51-I61 HydrophobicContact CE1-CB 4.14Å; Y51-I61 HydrophobicContact CE1-CD1 3.83Å; Y51-I61 HydrophobicContact CE1-CG1 3.86Å
52	N	95.6	Very high	94.4	Very high	30 Å²	30	57.4 Å²	57.4	16%	0.16	33%	0.331	C	S	.	.			trans	-62.8	123.8	161.1	-175.7	-33	0	0	0	108.7	W39 M40 S54 L55 K56	W39-N52 HydrophobicContact CE3-CB 4.08Å; W39-N52 HydrophobicContact CZ3-CB 4.17Å; W39-N52 VanDerWaalsContact CZ3-N 3.32Å; W39-N52 WeakPolarHBondContact O-CB 3.49Å; W39-N52 PolarHBondContact O-ND2 2.66Å; M40-N52 WeakPolarHBondContact O-CB 3Å; M40-N52 PolarHBondContact O-N 3.47Å; N52-S54 PolarHBondContact O-N 3.03Å; N52-S54 VanDerWaalsContact O-N 3.1Å; N52-S54 PolarHBondContact OD1-N 3.39Å; N52-S54 VanDerWaalsContact OD1-N 3.12Å; N52-L55 HydrophobicContact CB-CB 4.41Å; N52-L55 HydrophobicContact CB-CD1 4.21Å; N52-L55 HydrophobicContact CB-CG 4.42Å; N52-L55 PolarHBondContact O-N 2.95Å; N52-K56 PolarHBondContact O-N 2.97Å
53	P	94.4	Very high	94.4	Very high	115 Å²	115	58 Å²	58	75%	0.747	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-35.9	-176.8	-28.7	35.5	0	0	0	113.9	Y51 L55	Y51-P53 WeakPolarHBondContact O-CD 3.38Å; P53-L55 PolarHBondContact O-N 3.11Å
54	S	92	Very high	94.3	Very high	101 Å²	101	59.4 Å²	59.4	71%	0.706	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-21.4	-179.8	-59.6	0	0	0	0	113.7	N52	N52-S54 PolarHBondContact O-N 3.03Å; N52-S54 VanDerWaalsContact O-N 3.1Å; N52-S54 PolarHBondContact OD1-N 3.39Å; N52-S54 VanDerWaalsContact OD1-N 3.12Å
55	L	93.3	Very high	94.4	Very high	11 Å²	11	62.7 Å²	62.7	6%	0.058	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-20.9	-174.8	-61.3	173.9	0	0	0	112.6	M40 N52 P53 S57 R58 I59	M40-L55 HydrophobicContact CB-CD1 4.12Å; M40-L55 HydrophobicContact CE-CD1 4.15Å; M40-L55 HydrophobicContact CG-CD1 3.94Å; N52-L55 HydrophobicContact CB-CB 4.41Å; N52-L55 HydrophobicContact CB-CD1 4.21Å; N52-L55 HydrophobicContact CB-CG 4.42Å; N52-L55 PolarHBondContact O-N 2.95Å; P53-L55 PolarHBondContact O-N 3.11Å; L55-S57 PolarHBondContact O-N 2.78Å; L55-R58 PolarHBondContact O-N 2.92Å; L55-I59 HydrophobicContact CB-CD1 3.57Å; L55-I59 HydrophobicContact CB-CG1 3.72Å; L55-I59 HydrophobicContact CB-CG2 4.49Å; L55-I59 HydrophobicContact CD1-CD1 4.35Å; L55-I59 VanDerWaalsContact O-CG1 3.24Å; L55-I59 WeakPolarHBondContact O-CG1 3.05Å; L55-I59 PolarHBondContact O-N 2.67Å
56	K	91.6	Very high	94.5	Very high	137 Å²	137	61.7 Å²	61.7	60%	0.596	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44	-37	-169.6	-175.3	176.2	-179.9	-179.1	0	115.8	Y51 N52 R58	Y51-K56 HydrophobicContact CD2-CD 4.42Å; Y51-K56 HydrophobicContact CD2-CG 3.98Å; Y51-K56 HydrophobicContact CG-CB 4.41Å; Y51-K56 HydrophobicContact CG-CG 4.09Å; N52-K56 PolarHBondContact O-N 2.97Å; K56-R58 VanDerWaalsContact C-N 3.29Å; K56-R58 PolarHBondContact O-N 3.41Å
57	S	92.9	Very high	94.7	Very high	111 Å²	111	64.7 Å²	64.7	78%	0.776	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.4	179.8	57.5	0	0	0	0	114.3	L55	L55-S57 PolarHBondContact O-N 2.78Å
58	R	94.4	Very high	94.8	Very high	57 Å²	57	65 Å²	65	22%	0.215	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-14.8	-172	-64.8	-175.3	55.6	-158.1	-16.6	114.1	L55 K56 N75 S76 D81	L55-R58 PolarHBondContact O-N 2.92Å; K56-R58 VanDerWaalsContact C-N 3.29Å; K56-R58 PolarHBondContact O-N 3.41Å; R58-N75 PolarHBondContact NE-O 2.92Å; R58-N75 PolarHBondContact NH2-O 2.83Å; R58-N75 PolarHBondContact O-N 3.01Å; R58-S76 PolarHBondContact NH2-O 3.45Å; R58-D81 IonicContact CZ-OD2 3.94Å; R58-D81 IonicContact NH1-OD1 3.71Å; R58-D81 IonicContact NH1-OD2 2.66Å; R58-D81 IonicContact NH2-OD1 3.77Å; R58-D81 IonicContact NH2-OD2 3.42Å; R58-D81 PolarHBondContact NH2-OD2 2.76Å
59	I	94.7	Very high	94.9	Very high	0 Å²	0	64 Å²	64	0%	0	36%	0.36	C	S	.	.			trans	-127.3	76.4	-166.6	56.8	154.5	0	0	0	115.7	M40 Y51 L55 I61 L72 Q73 L74	M40-I59 HydrophobicContact CB-CD1 3.97Å; M40-I59 HydrophobicContact CE-CD1 4.48Å; M40-I59 HydrophobicContact CE-CG2 3.86Å; M40-I59 WeakPolarHBondContact O-CD1 3.49Å; Y51-I59 HydrophobicContact CD1-CD1 3.97Å; Y51-I59 HydrophobicContact CD1-CG1 4.11Å; Y51-I59 WeakPolarHBondContact CD1-O 3.4Å; Y51-I59 WeakPolarHBondContact CE1-O 3.42Å; L55-I59 HydrophobicContact CB-CD1 3.57Å; L55-I59 HydrophobicContact CB-CG1 3.72Å; L55-I59 HydrophobicContact CB-CG2 4.49Å; L55-I59 HydrophobicContact CD1-CD1 4.35Å; L55-I59 VanDerWaalsContact O-CG1 3.24Å; L55-I59 WeakPolarHBondContact O-CG1 3.05Å; L55-I59 PolarHBondContact O-N 2.67Å; I59-I61 PolarHBondContact O-N 2.94Å; I59-L72 HydrophobicContact CB-CD1 3.71Å; I59-L72 HydrophobicContact CD1-CD1 4.48Å; I59-L72 HydrophobicContact CG2-CD1 4.08Å; I59-Q73 VanDerWaalsContact CA-O 3.23Å; I59-Q73 WeakPolarHBondContact CA-O 3.37Å; I59-L74 HydrophobicContact CG2-CD1 3.36Å
60	P	95.8	Very high	94.9	Very high	45 Å²	45	61.4 Å²	61.4	29%	0.292	34%	0.344	S	S	.	.			trans	-69.5	134.8	172.2	27	-28.1	0	0	0	110.7	Q73	P60-Q73 WeakPolarHBondContact CD-O 3.16Å; P60-Q73 HydrophobicContact CG-CB 3.73Å; P60-Q73 PolarHBondContact O-N 3.02Å
61	I	96.9	Very high	95	Very high	7 Å²	7	61.2 Å²	61.2	4%	0.036	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	130.6	175.3	-62.8	168	0	0	0	108.5	I43 T49 Y51 I59 F71 L72	I43-I61 HydrophobicContact CB-CG2 3.75Å; I43-I61 HydrophobicContact CG2-CG2 3.78Å; T49-I61 HydrophobicContact CG2-CB 4.43Å; Y51-I61 HydrophobicContact CD1-CD1 4.09Å; Y51-I61 HydrophobicContact CE1-CB 4.14Å; Y51-I61 HydrophobicContact CE1-CD1 3.83Å; Y51-I61 HydrophobicContact CE1-CG1 3.86Å; I59-I61 PolarHBondContact O-N 2.94Å; I61-F71 VanDerWaalsContact CA-O 3.31Å; I61-F71 WeakPolarHBondContact CA-O 3.48Å; I61-L72 HydrophobicContact CD1-CD1 4.37Å; I61-L72 HydrophobicContact CG1-CD1 3.73Å
62	T	96.1	Very high	95	Very high	77 Å²	77	59 Å²	59	47%	0.472	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	170.9	-179.2	64.8	0	0	0	0	111.3	F70 F71	T62-F70 CarbonylContact O-C 3.47Å; T62-F70 WeakPolarHBondContact O-CA 3.23Å; T62-F70 WeakPolarHBondContact O-CB 3.12Å; T62-F71 PolarHBondContact N-O 2.8Å; T62-F71 PolarHBondContact O-N 2.9Å
63	R	95.5	Very high	95	Very high	74 Å²	74	61.4 Å²	61.4	28%	0.279	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	153.8	178.4	69.4	179.8	-174.3	170	4.8	113	I21 I43 N44 Y45 S46 G47 Q69 F70	I21-R63 HydrophobicContact CD1-CB 3.95Å; I43-R63 HydrophobicContact CD1-CB 4.01Å; I43-R63 HydrophobicContact CD1-CG 3.78Å; N44-R63 PolarHBondContact O-NH1 2.69Å; Y45-R63 VanDerWaalsContact O-CZ 3.27Å; Y45-R63 PolarHBondContact O-NH1 3.31Å; Y45-R63 PolarHBondContact O-NH2 2.89Å; S46-R63 VanDerWaalsContact C-NH2 3.28Å; G47-R63 VanDerWaalsContact CA-CZ 3.47Å; G47-R63 VanDerWaalsContact N-CZ 3.31Å; G47-R63 VanDerWaalsContact N-NH2 3.19Å; R63-Q69 WeakPolarHBondContact CA-O 3.21Å; R63-F70 HydrophobicContact CB-CB 4.06Å
64	D	95.6	Very high	95	Very high	40 Å²	40	56 Å²	56	21%	0.214	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	100.6	170.9	-175.4	-15.5	0	0	0	108.5	I21 S66 K67 N68 Q69 F71	I21-D64 WeakPolarHBondContact CD1-O 3.22Å; D64-S66 VanDerWaalsContact C-N 3.25Å; D64-S66 PolarHBondContact O-N 2.91Å; D64-S66 WeakPolarHBondContact OD1-CB 3.11Å; D64-S66 PolarHBondContact OD1-N 2.99Å; D64-S66 PolarHBondContact OD1-OG 2.89Å; D64-K67 HydrophobicContact CB-CB 4.4Å; D64-K67 PolarHBondContact O-N 3.18Å; D64-K67 PolarHBondContact OD1-N 2.86Å; D64-K67 WeakPolarHBondContact OD2-CD 2.94Å; D64-K67 VanDerWaalsContact OD2-CE 3.24Å; D64-K67 WeakPolarHBondContact OD2-CE 3.45Å; D64-K67 WeakPolarHBondContact OD2-CG 3.24Å; D64-K67 IonicContact OD2-NZ 2.69Å; D64-K67 PolarHBondContact OD2-NZ 3.02Å; D64-N68 PolarHBondContact O-N 3.36Å; D64-Q69 PolarHBondContact N-O 2.61Å; D64-Q69 PolarHBondContact O-N 3.17Å; D64-F71 HydrophobicContact CB-CE2 3.8Å; D64-F71 HydrophobicContact CB-CZ 4.32Å
65	T	94.3	Very high	95.2	Very high	80 Å²	80	53.3 Å²	53.3	49%	0.491	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-23.7	-179.2	52.5	0	0	0	0	112.6	I21 T22 K67 N68	I21-T65 HydrophobicContact CD1-CG2 3.95Å; I21-T65 HydrophobicContact CG1-CG2 4.17Å; T22-T65 HydrophobicContact CG2-CG2 3.63Å; T65-K67 VanDerWaalsContact C-N 3.28Å; T65-K67 PolarHBondContact O-N 2.87Å; T65-N68 PolarHBondContact O-N 3.45Å
66	S	94.3	Very high	95.2	Very high	103 Å²	103	56.2 Å²	56.2	72%	0.72	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-29.4	177.1	75.8	0	0	0	0	112.1	D64	D64-S66 VanDerWaalsContact C-N 3.25Å; D64-S66 PolarHBondContact O-N 2.91Å; D64-S66 WeakPolarHBondContact OD1-CB 3.11Å; D64-S66 PolarHBondContact OD1-N 2.99Å; D64-S66 PolarHBondContact OD1-OG 2.89Å
67	K	95.8	Very high	95.3	Very high	131 Å²	131	49.7 Å²	49.7	57%	0.57	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-3.7	178.6	-62.7	-178.3	-168.9	160.9	0	113.7	D64 T65 Q69	D64-K67 HydrophobicContact CB-CB 4.4Å; D64-K67 PolarHBondContact O-N 3.18Å; D64-K67 PolarHBondContact OD1-N 2.86Å; D64-K67 WeakPolarHBondContact OD2-CD 2.94Å; D64-K67 VanDerWaalsContact OD2-CE 3.24Å; D64-K67 WeakPolarHBondContact OD2-CE 3.45Å; D64-K67 WeakPolarHBondContact OD2-CG 3.24Å; D64-K67 IonicContact OD2-NZ 2.69Å; D64-K67 PolarHBondContact OD2-NZ 3.02Å; T65-K67 VanDerWaalsContact C-N 3.28Å; T65-K67 PolarHBondContact O-N 2.87Å; K67-Q69 VanDerWaalsContact C-N 3.26Å; K67-Q69 HydrophobicContact CB-CB 4.26Å; K67-Q69 HydrophobicContact CB-CG 4.1Å; K67-Q69 PolarHBondContact O-N 3.16Å
68	N	95.4	Very high	95.3	Very high	35 Å²	35	46.5 Å²	46.5	19%	0.187	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	43.4	-173.2	-155.8	35.4	0	0	0	112.8	V16 D19 S20 I21 D64 T65	V16-N68 PolarHBondContact N-O 2.78Å; V16-N68 PolarHBondContact O-ND2 2.91Å; D19-N68 PolarHBondContact O-ND2 2.88Å; S20-N68 WeakPolarHBondContact CA-OD1 3.29Å; I21-N68 PolarHBondContact N-OD1 2.88Å; D64-N68 PolarHBondContact O-N 3.36Å; T65-N68 PolarHBondContact O-N 3.45Å
69	Q	96.5	Very high	95.3	Very high	43 Å²	43	47.5 Å²	47.5	20%	0.201	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	149.6	-175.2	-75.3	174	-16.4	0	0	111.9	T13 C14 S15 I21 R63 D64 K67 F71	T13-Q69 HydrophobicContact CG2-CB 4.42Å; T13-Q69 HydrophobicContact CG2-CG 4.22Å; C14-Q69 VanDerWaalsContact O-CA 3.31Å; C14-Q69 WeakPolarHBondContact O-CA 3.46Å; S15-Q69 WeakPolarHBondContact OG-CG 3.44Å; S15-Q69 PolarHBondContact OG-NE2 2.81Å; I21-Q69 WeakPolarHBondContact CD1-O 3.43Å; R63-Q69 WeakPolarHBondContact CA-O 3.21Å; D64-Q69 PolarHBondContact N-O 2.61Å; D64-Q69 PolarHBondContact O-N 3.17Å; K67-Q69 VanDerWaalsContact C-N 3.26Å; K67-Q69 HydrophobicContact CB-CB 4.26Å; K67-Q69 HydrophobicContact CB-CG 4.1Å; K67-Q69 PolarHBondContact O-N 3.16Å; Q69-F71 HydrophobicContact CB-CE1 4.29Å; Q69-F71 HydrophobicContact CB-CE2 3.98Å; Q69-F71 HydrophobicContact CB-CZ 3.61Å
70	F	96.1	Very high	95.2	Very high	1 Å²	1	54.6 Å²	54.6	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	153.2	166.8	69.8	-79.4	0	0	0	110.8	C14 V16 I21 W26 W28 I43 T62 R63 C87	C14-F70 HydrophobicContact CB-CD1 3.96Å; C14-F70 HydrophobicContact CB-CE1 3.47Å; C14-F70 VanDerWaalsContact CB-CE1 3.47Å; C14-F70 HydrophobicContact CB-CE2 4.13Å; C14-F70 HydrophobicContact CB-CG 4.49Å; C14-F70 HydrophobicContact CB-CZ 3.59Å; C14-F70 PolarHBondContact N-O 3.05Å; C14-F70 PolarHBondContact O-N 3.19Å; C14-F70 VanDerWaalsContact SG-CE1 3.54Å; V16-F70 HydrophobicContact CG2-CD1 4.39Å; V16-F70 HydrophobicContact CG2-CE1 4.09Å; I21-F70 HydrophobicContact CG2-CD1 4.1Å; W26-F70 HydrophobicContact CB-CD1 4.08Å; W26-F70 HydrophobicContact CB-CD2 4.17Å; W26-F70 HydrophobicContact CB-CE1 3.8Å; W26-F70 HydrophobicContact CB-CE2 3.91Å; W26-F70 HydrophobicContact CB-CG 4.24Å; W26-F70 HydrophobicContact CB-CZ 3.68Å; W26-F70 HydrophobicContact CD2-CD1 4.48Å; W26-F70 AromaticContact CD2-CE1 3.87Å; W26-F70 HydrophobicContact CD2-CE1 3.87Å; W26-F70 HydrophobicContact CD2-CZ 4.33Å; W26-F70 AromaticContact CE3-CE1 3.57Å; W26-F70 HydrophobicContact CE3-CE1 3.57Å; W26-F70 AromaticContact CE3-CZ 3.87Å; W26-F70 HydrophobicContact CE3-CZ 3.87Å; W26-F70 HydrophobicContact CG-CD1 4.3Å; W26-F70 AromaticContact CG-CE1 4Å; W26-F70 HydrophobicContact CG-CE1 4Å; W26-F70 HydrophobicContact CG-CZ 4.3Å; W26-F70 HydrophobicContact CZ3-CE1 4.4Å; W28-F70 AromaticContact CD1-CE2 3.83Å; W28-F70 HydrophobicContact CD2-CE2 4.33Å; W28-F70 AromaticContact CE2-CD2 3.9Å; W28-F70 AromaticContact CE2-CE2 3.63Å; W28-F70 HydrophobicContact CG-CE2 4.45Å; W28-F70 HydrophobicContact CZ2-CD2 4.22Å; W28-F70 HydrophobicContact CZ2-CE2 4.05Å; W28-F70 AromaticContact NE1-CD2 3.28Å; W28-F70 VanDerWaalsContact NE1-CD2 3.28Å; W28-F70 AromaticContact NE1-CE2 3.28Å; W28-F70 VanDerWaalsContact NE1-CE2 3.28Å; I43-F70 HydrophobicContact CG2-CB 4.2Å; I43-F70 HydrophobicContact CG2-CD2 4.37Å; T62-F70 CarbonylContact O-C 3.47Å; T62-F70 WeakPolarHBondContact O-CA 3.23Å; T62-F70 WeakPolarHBondContact O-CB 3.12Å; R63-F70 HydrophobicContact CB-CB 4.06Å; F70-C87 HydrophobicContact CE1-CB 4.18Å; F70-C87 HydrophobicContact CE2-CB 4.1Å; F70-C87 HydrophobicContact CZ-CB 3.37Å
71	F	96.8	Very high	95.1	Very high	40 Å²	40	52.6 Å²	52.6	18%	0.175	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	145.2	-164.6	-48.5	-90.7	0	0	0	110.5	L12 T13 I61 T62 D64 Q69	L12-F71 CarbonylContact O-C 3.57Å; L12-F71 WeakPolarHBondContact O-CA 3.26Å; T13-F71 HydrophobicContact CG2-CD1 3.79Å; T13-F71 HydrophobicContact CG2-CE1 3.43Å; T13-F71 VanDerWaalsContact CG2-CE1 3.43Å; T13-F71 HydrophobicContact CG2-CZ 4.33Å; T13-F71 VanDerWaalsContact OG1-CD1 3.29Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.36Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.32Å; I61-F71 VanDerWaalsContact CA-O 3.31Å; I61-F71 WeakPolarHBondContact CA-O 3.48Å; T62-F71 PolarHBondContact N-O 2.8Å; T62-F71 PolarHBondContact O-N 2.9Å; D64-F71 HydrophobicContact CB-CE2 3.8Å; D64-F71 HydrophobicContact CB-CZ 4.32Å; Q69-F71 HydrophobicContact CB-CE1 4.29Å; Q69-F71 HydrophobicContact CB-CE2 3.98Å; Q69-F71 HydrophobicContact CB-CZ 3.61Å
72	L	97.2	Very high	95	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	118.3	168.5	170.2	72.9	0	0	0	107.5	L12 W28 M40 I59 I61 Y85	L12-L72 HydrophobicContact CB-CB 4.33Å; L12-L72 HydrophobicContact CD1-CD2 4.03Å; L12-L72 PolarHBondContact N-O 2.94Å; L12-L72 PolarHBondContact O-N 2.93Å; W28-L72 HydrophobicContact CB-CD2 3.97Å; W28-L72 HydrophobicContact CD2-CB 3.64Å; W28-L72 HydrophobicContact CD2-CD2 3.8Å; W28-L72 HydrophobicContact CD2-CG 4.32Å; W28-L72 HydrophobicContact CE3-CB 4.33Å; W28-L72 HydrophobicContact CE3-CD2 4Å; W28-L72 HydrophobicContact CG-CB 3.81Å; W28-L72 HydrophobicContact CG-CD1 4.46Å; W28-L72 HydrophobicContact CG-CD2 3.8Å; W28-L72 HydrophobicContact CG-CG 4.25Å; W28-L72 HydrophobicContact CZ2-CB 3.9Å; M40-L72 HydrophobicContact CE-CD2 3.77Å; M40-L72 HydrophobicContact SD-CD2 3.8Å; I59-L72 HydrophobicContact CB-CD1 3.71Å; I59-L72 HydrophobicContact CD1-CD1 4.48Å; I59-L72 HydrophobicContact CG2-CD1 4.08Å; I61-L72 HydrophobicContact CD1-CD1 4.37Å; I61-L72 HydrophobicContact CG1-CD1 3.73Å; L72-Y85 HydrophobicContact CD2-CD1 4.28Å
73	Q	95.8	Very high	95	Very high	81 Å²	81	50.3 Å²	50.3	38%	0.379	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	140.4	165.8	-159.8	175.4	28.4	0	0	108.4	T9 L10 I59 P60	T9-Q73 HydrophobicContact CG2-CG 3.4Å; T9-Q73 VanDerWaalsContact CG2-NE2 3.32Å; L10-Q73 CarbonylContact O-C 3.57Å; L10-Q73 VanDerWaalsContact O-CA 3.23Å; L10-Q73 WeakPolarHBondContact O-CA 3.23Å; L10-Q73 WeakPolarHBondContact O-CG 3.44Å; I59-Q73 VanDerWaalsContact CA-O 3.23Å; I59-Q73 WeakPolarHBondContact CA-O 3.37Å; P60-Q73 WeakPolarHBondContact CD-O 3.16Å; P60-Q73 HydrophobicContact CG-CB 3.73Å; P60-Q73 PolarHBondContact O-N 3.02Å
74	L	94.9	Very high	95.1	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	110.6	173.2	179.8	63.2	0	0	0	108.4	T9 L10 I59 V77 D81 Y85	T9-L74 WeakPolarHBondContact CA-O 3.39Å; L10-L74 PolarHBondContact N-O 2.74Å; L10-L74 PolarHBondContact O-N 2.85Å; I59-L74 HydrophobicContact CG2-CD1 3.36Å; L74-V77 HydrophobicContact CB-CG1 4.37Å; L74-V77 HydrophobicContact CD2-CG1 3.78Å; L74-V77 HydrophobicContact CG-CG1 3.78Å; L74-D81 HydrophobicContact CD2-CB 3.93Å; L74-Y85 HydrophobicContact CD2-CE1 4.36Å; L74-Y85 VanDerWaalsContact CD2-OH 3.32Å; L74-Y85 WeakPolarHBondContact CD2-OH 3.45Å
75	N	94.9	Very high	95.1	Very high	45 Å²	45	46.1 Å²	46.1	24%	0.241	26%	0.255	C	S	.	.			trans	-88.4	146.2	-176.6	-65.1	-40.1	0	0	0	111.6	T9 R58 V77	T9-N75 WeakPolarHBondContact CG2-OD1 3.16Å; T9-N75 PolarHBondContact OG1-OD1 2.99Å; T9-N75 VanDerWaalsContact OG1-OD1 3.13Å; R58-N75 PolarHBondContact NE-O 2.92Å; R58-N75 PolarHBondContact NH2-O 2.83Å; R58-N75 PolarHBondContact O-N 3.01Å; N75-V77 PolarHBondContact O-N 2.98Å
76	S	93	Very high	95.3	Very high	72 Å²	72	44.4 Å²	44.4	50%	0.503	24%	0.24	S	C	.	.	S	Bend	trans	51.5	57.4	175.2	-54.5	0	0	0	0	112.6	Q8 R58	Q8-S76 PolarHBondContact O-N 3.45Å; R58-S76 PolarHBondContact NH2-O 3.45Å
77	V	93.9	Very high	95.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	21%	0.211	C	C	.	.			trans	-59.3	141.7	-175.8	-67.2	0	0	0	0	112.7	V4 K5 P6 S7 Q8 L10 L74 N75 D81 V108	V4-V77 HydrophobicContact CG1-CG2 3.95Å; K5-V77 WeakPolarHBondContact O-CG2 3.31Å; P6-V77 CarbonylContact C-O 3.59Å; P6-V77 WeakPolarHBondContact CA-O 3.34Å; S7-V77 PolarHBondContact N-O 3.2Å; Q8-V77 HydrophobicContact CB-CG2 4.16Å; Q8-V77 WeakPolarHBondContact O-CG2 3.43Å; Q8-V77 PolarHBondContact O-N 3.03Å; L10-V77 HydrophobicContact CB-CG1 4.42Å; L10-V77 HydrophobicContact CD1-CG1 3.78Å; L10-V77 HydrophobicContact CG-CG1 3.96Å; L74-V77 HydrophobicContact CB-CG1 4.37Å; L74-V77 HydrophobicContact CD2-CG1 3.78Å; L74-V77 HydrophobicContact CG-CG1 3.78Å; N75-V77 PolarHBondContact O-N 2.98Å; V77-D81 WeakPolarHBondContact CA-OD2 3.38Å; V77-V108 HydrophobicContact CB-CG1 4.49Å; V77-V108 HydrophobicContact CB-CG2 4.24Å; V77-V108 HydrophobicContact CG2-CG1 4.18Å; V77-V108 HydrophobicContact CG2-CG2 4.38Å
78	T	94.1	Very high	95.3	Very high	43 Å²	43	34.1 Å²	34.1	26%	0.264	18%	0.184	S	C	.	.			trans	-120.6	166	176.5	67.9	0	0	0	0	110.2	E80 D81 V108	T78-E80 PolarHBondContact O-N 3.13Å; T78-E80 VanDerWaalsContact O-N 3.13Å; T78-D81 PolarHBondContact N-OD2 3.02Å; T78-D81 VanDerWaalsContact O-CB 3.32Å; T78-D81 WeakPolarHBondContact O-CB 3.23Å; T78-D81 PolarHBondContact O-N 3.05Å; T78-D81 PolarHBondContact OG1-OD2 3.18Å; T78-V108 WeakPolarHBondContact O-CB 3.25Å; T78-V108 WeakPolarHBondContact O-CG1 3.23Å
79	P	93.8	Very high	95.2	Very high	78 Å²	78	33.3 Å²	33.3	51%	0.506	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-53.7	-30	173.5	-29.6	38	0	0	0	114.1	D81 T82	P79-D81 PolarHBondContact O-N 3.27Å; P79-T82 VanDerWaalsContact O-CB 3.23Å; P79-T82 WeakPolarHBondContact O-CB 3.22Å; P79-T82 PolarHBondContact O-N 2.89Å; P79-T82 VanDerWaalsContact O-N 3.08Å; P79-T82 PolarHBondContact O-OG1 3.05Å
80	E	91.9	Very high	94.8	Very high	150 Å²	150	32.7 Å²	32.7	70%	0.701	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-65.1	-18.8	175.3	-60.3	169.1	179.6	0	0	112.8	F32 T78 T82	F32-E80 WeakPolarHBondContact CE1-O 3.35Å; T78-E80 PolarHBondContact O-N 3.13Å; T78-E80 VanDerWaalsContact O-N 3.13Å; E80-T82 PolarHBondContact O-N 3.4Å
81	D	93.7	Very high	94.2	Very high	3 Å²	3	37 Å²	37	2%	0.016	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-80.7	0.7	174.4	-60.4	-50.2	0	0	0	113.7	R30 R58 L74 V77 T78 P79 G83 Y85 V108	R30-D81 IonicContact CZ-OD1 3.18Å; R30-D81 VanDerWaalsContact NH1-CA 3.34Å; R30-D81 IonicContact NH1-OD1 3.39Å; R30-D81 PolarHBondContact NH1-OD1 2.74Å; R58-D81 IonicContact CZ-OD2 3.94Å; R58-D81 IonicContact NH1-OD1 3.71Å; R58-D81 IonicContact NH1-OD2 2.66Å; R58-D81 IonicContact NH2-OD1 3.77Å; R58-D81 IonicContact NH2-OD2 3.42Å; R58-D81 PolarHBondContact NH2-OD2 2.76Å; L74-D81 HydrophobicContact CD2-CB 3.93Å; V77-D81 WeakPolarHBondContact CA-OD2 3.38Å; T78-D81 PolarHBondContact N-OD2 3.02Å; T78-D81 VanDerWaalsContact O-CB 3.32Å; T78-D81 WeakPolarHBondContact O-CB 3.23Å; T78-D81 PolarHBondContact O-N 3.05Å; T78-D81 PolarHBondContact OG1-OD2 3.18Å; P79-D81 PolarHBondContact O-N 3.27Å; D81-G83 PolarHBondContact O-N 3.04Å; D81-Y85 WeakPolarHBondContact O-CE2 3.46Å; D81-Y85 PolarHBondContact O-OH 3Å; D81-V108 HydrophobicContact CB-CG2 4.46Å
82	T	95.1	Very high	93	Very high	32 Å²	32	44.7 Å²	44.7	20%	0.196	22%	0.223	C	C	.	.			trans	-63.3	127.1	172.9	-65.5	0	0	0	0	110.9	P33 P79 E80 T107 V108	P33-T82 WeakPolarHBondContact CD-O 3.34Å; P33-T82 HydrophobicContact CG-CG2 4.3Å; P79-T82 VanDerWaalsContact O-CB 3.23Å; P79-T82 WeakPolarHBondContact O-CB 3.22Å; P79-T82 PolarHBondContact O-N 2.89Å; P79-T82 VanDerWaalsContact O-N 3.08Å; P79-T82 PolarHBondContact O-OG1 3.05Å; E80-T82 PolarHBondContact O-N 3.4Å; T82-T107 HydrophobicContact CG2-CG2 4.47Å; T82-V108 PolarHBondContact OG1-N 2.73Å
83	G	95.9	Very high	91.6	Very high	4 Å²	4	48.5 Å²	48.5	4%	0.041	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.6	-179.7	-179.4	0	0	0	0	0	113.2	Q31 D81 L106	Q31-G83 CarbonylContact O-C 3.6Å; Q31-G83 WeakPolarHBondContact O-CA 3.03Å; D81-G83 PolarHBondContact O-N 3.04Å; G83-L106 PolarHBondContact N-O 3Å; G83-L106 PolarHBondContact O-N 2.86Å
84	T	97.3	Very high	90.6	Very high	23 Å²	23	47.1 Å²	47.1	14%	0.141	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	126.9	171.8	-55.9	0	0	0	0	109.6	R30 Q31 Y86 T104 T105	R30-T84 CarbonylContact C-O 3.53Å; Q31-T84 PolarHBondContact N-O 2.87Å; Q31-T84 PolarHBondContact O-N 2.86Å; T84-Y86 HydrophobicContact CG2-CD2 4.32Å; T84-Y86 HydrophobicContact CG2-CE1 3.83Å; T84-Y86 HydrophobicContact CG2-CE2 3.59Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.48Å; T84-T104 WeakPolarHBondContact CA-O 3.24Å; T84-T105 PolarHBondContact OG1-OG1 2.79Å
85	Y	97.2	Very high	89.7	Confident	3 Å²	3	51.9 Å²	51.9	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	122.7	-176.9	-70	-103.6	0	0	0	109.7	L12 R30 M40 L72 L74 D81 G103 T104 L106	L12-Y85 HydrophobicContact CD1-CD1 3.47Å; L12-Y85 VanDerWaalsContact CD1-CD1 3.47Å; L12-Y85 HydrophobicContact CD1-CD2 4.24Å; L12-Y85 HydrophobicContact CD1-CE1 4.09Å; L12-Y85 HydrophobicContact CD1-CG 3.53Å; R30-Y85 HydrophobicContact CB-CD1 4.29Å; R30-Y85 HydrophobicContact CB-CE1 4.18Å; R30-Y85 HydrophobicContact CG-CE1 4.26Å; R30-Y85 HydrophobicContact CG-CE2 4.43Å; M40-Y85 HydrophobicContact CE-CE1 3.89Å; M40-Y85 HydrophobicContact SD-CD1 3.75Å; M40-Y85 HydrophobicContact SD-CE1 3.62Å; L72-Y85 HydrophobicContact CD2-CD1 4.28Å; L74-Y85 HydrophobicContact CD2-CE1 4.36Å; L74-Y85 VanDerWaalsContact CD2-OH 3.32Å; L74-Y85 WeakPolarHBondContact CD2-OH 3.45Å; D81-Y85 WeakPolarHBondContact O-CE2 3.46Å; D81-Y85 PolarHBondContact O-OH 3Å; Y85-G103 CarbonylContact O-C 3.54Å; Y85-G103 VanDerWaalsContact O-CA 3.23Å; Y85-G103 WeakPolarHBondContact O-CA 3.42Å; Y85-T104 PolarHBondContact N-O 3.48Å; Y85-T104 PolarHBondContact O-N 3.2Å; Y85-L106 HydrophobicContact CD2-CB 4.29Å; Y85-L106 HydrophobicContact CD2-CD1 3.75Å; Y85-L106 HydrophobicContact CD2-CG 3.99Å; Y85-L106 HydrophobicContact CE2-CB 4.04Å; Y85-L106 HydrophobicContact CE2-CD1 3.63Å; Y85-L106 HydrophobicContact CE2-CG 4.09Å; Y85-L106 HydrophobicContact CG-CD1 4.49Å
86	Y	97.1	Very high	88.9	Confident	43 Å²	43	58.1 Å²	58.1	17%	0.169	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	142.9	-179.2	-58.1	-85.7	0	0	0	110.1	I29 Q31 T84 W100 G101	I29-Y86 PolarHBondContact N-O 3.01Å; I29-Y86 PolarHBondContact O-N 3Å; Q31-Y86 HydrophobicContact CB-CD2 4.28Å; Q31-Y86 HydrophobicContact CB-CE2 3.61Å; Q31-Y86 HydrophobicContact CG-CE2 4.49Å; Q31-Y86 PolarHBondContact OE1-OH 3.12Å; T84-Y86 HydrophobicContact CG2-CD2 4.32Å; T84-Y86 HydrophobicContact CG2-CE1 3.83Å; T84-Y86 HydrophobicContact CG2-CE2 3.59Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.48Å; Y86-W100 HydrophobicContact CD1-CE3 4.42Å; Y86-W100 HydrophobicContact CD2-CZ3 4.42Å; Y86-W100 HydrophobicContact CG-CE3 4.08Å; Y86-W100 HydrophobicContact CG-CZ3 4.21Å; Y86-G101 WeakPolarHBondContact CD1-O 3.36Å
87	C	95.5	Very high	88.6	Confident	17 Å²	17	58 Å²	58	12%	0.115	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	143.2	156.1	38.9	0	0	0	0	110.1	C14 N27 F70 W100 G101	C14-C87 HydrophobicContact CB-CB 3.49Å; C14-C87 VanDerWaalsContact CB-CB 3.49Å; C14-C87 WeakPolarHBondContact CB-SG 3.31Å; C14-C87 WeakPolarHBondContact SG-CB 3.49Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 3.38Å; N27-C87 CarbonylContact O-C 3.47Å; N27-C87 VanDerWaalsContact O-CA 3.28Å; N27-C87 WeakPolarHBondContact O-CA 3.21Å; F70-C87 HydrophobicContact CE1-CB 4.18Å; F70-C87 HydrophobicContact CE2-CB 4.1Å; F70-C87 HydrophobicContact CZ-CB 3.37Å; C87-W100 CarbonylContact O-C 3.45Å; C87-W100 WeakPolarHBondContact O-CA 3.44Å; C87-G101 PolarHBondContact O-N 3.35Å
88	A	94.8	Very high	88.2	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.008	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	153.8	175.2	0	0	0	0	0	111.6	N27 I29 F97 Y99 W100	N27-A88 HydrophobicContact CB-CB 4.48Å; N27-A88 PolarHBondContact N-O 2.81Å; N27-A88 PolarHBondContact O-N 2.82Å; I29-A88 HydrophobicContact CD1-CB 3.78Å; A88-F97 HydrophobicContact CB-CB 4.14Å; A88-F97 HydrophobicContact CB-CD1 3.88Å; A88-F97 HydrophobicContact CB-CG 3.94Å; A88-Y99 CarbonylContact C-O 3.59Å; A88-Y99 WeakPolarHBondContact CA-O 3.49Å; A88-Y99 WeakPolarHBondContact CB-O 3.49Å; A88-W100 HydrophobicContact CB-CD2 4.05Å; A88-W100 HydrophobicContact CB-CE3 4.26Å; A88-W100 HydrophobicContact CB-CG 4.41Å
89	R	92.9	Very high	87.9	Confident	19 Å²	19	66.3 Å²	66.3	7%	0.072	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	141.1	177.4	-167.1	-175.5	74	172	10	110.7	D19 Y25 W26 Y91 F97 D98 Y99	D19-R89 IonicContact OD1-NH1 3.85Å; D19-R89 WeakPolarHBondContact OD2-CD 3.46Å; D19-R89 IonicContact OD2-CZ 2.63Å; D19-R89 IonicContact OD2-NE 3.57Å; D19-R89 IonicContact OD2-NH1 3.08Å; D19-R89 PolarHBondContact OD2-NH1 2.91Å; Y25-R89 WeakPolarHBondContact O-CA 3.35Å; W26-R89 HydrophobicContact CD2-CB 4.42Å; W26-R89 HydrophobicContact CD2-CG 4.27Å; W26-R89 HydrophobicContact CE3-CB 3.96Å; W26-R89 HydrophobicContact CE3-CG 4.29Å; W26-R89 HydrophobicContact CH2-CB 3.89Å; W26-R89 HydrophobicContact CH2-CG 3.94Å; W26-R89 HydrophobicContact CZ2-CB 4.32Å; W26-R89 HydrophobicContact CZ2-CG 3.87Å; W26-R89 HydrophobicContact CZ3-CB 3.69Å; W26-R89 HydrophobicContact CZ3-CG 4.15Å; R89-Y91 PolarHBondContact NH1-OH 3.28Å; R89-Y91 VanDerWaalsContact NH1-OH 3.16Å; R89-Y91 VanDerWaalsContact NH2-CE2 3.3Å; R89-Y91 PolarHBondContact NH2-OH 2.95Å; R89-F97 CarbonylContact O-C 3.55Å; R89-F97 WeakPolarHBondContact O-CA 3.44Å; R89-F97 WeakPolarHBondContact O-CD1 3.48Å; R89-D98 IonicContact CZ-OD1 3.85Å; R89-D98 IonicContact CZ-OD2 3.03Å; R89-D98 IonicContact NE-OD1 3.46Å; R89-D98 PolarHBondContact NE-OD1 3.03Å; R89-D98 IonicContact NE-OD2 2.61Å; R89-D98 PolarHBondContact NE-OD2 2.8Å; R89-D98 IonicContact NH2-OD1 3.99Å; R89-D98 IonicContact NH2-OD2 3.66Å; R89-D98 PolarHBondContact NH2-OD2 3.07Å; R89-D98 PolarHBondContact O-N 2.98Å; R89-D98 VanDerWaalsContact O-N 3.11Å; R89-Y99 VanDerWaalsContact CZ-CD2 3.4Å; R89-Y99 VanDerWaalsContact CZ-CE2 3.48Å; R89-Y99 PolarHBondContact N-O 3.47Å
90	D	89.7	Confident	87.9	Confident	29 Å²	29	67.9 Å²	67.9	16%	0.155	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	171.5	161.3	67.7	-35.2	0	0	0	111.4	Y25 N27 F97	Y25-D90 WeakPolarHBondContact CB-OD1 3.21Å; Y25-D90 PolarHBondContact N-O 2.89Å; Y25-D90 PolarHBondContact O-N 2.91Å; N27-D90 PolarHBondContact ND2-OD1 3.2Å; D90-F97 HydrophobicContact CB-CD1 3.82Å; D90-F97 HydrophobicContact CB-CE1 4.08Å
91	Y	83.6	Confident	87.9	Confident	92 Å²	92	62 Å²	62	36%	0.361	32%	0.315	S	S	.	.			trans	-116.2	153.3	173.6	-70.4	-74.5	0	0	0	110.3	S23 R89 G93 S94 D98	S23-Y91 VanDerWaalsContact O-CE1 3.26Å; S23-Y91 WeakPolarHBondContact O-CE1 3.44Å; R89-Y91 PolarHBondContact NH1-OH 3.28Å; R89-Y91 VanDerWaalsContact NH1-OH 3.16Å; R89-Y91 VanDerWaalsContact NH2-CE2 3.3Å; R89-Y91 PolarHBondContact NH2-OH 2.95Å; Y91-G93 PolarHBondContact O-N 2.79Å; Y91-S94 WeakPolarHBondContact O-CB 3.35Å; Y91-S94 PolarHBondContact O-N 2.84Å; Y91-D98 WeakPolarHBondContact CE2-OD2 3.5Å
92	Y	70.2	Confident	87.9	Confident	202 Å²	202	71 Å²	71	79%	0.792	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	123.1	176.7	-171.6	-106.2	0	0	0	111.1	Y25	Y25-Y92 HydrophobicContact CE2-CD2 4.41Å; Y25-Y92 AromaticContact CZ-CD2 3.91Å; Y25-Y92 VanDerWaalsContact OH-CD2 3.25Å; Y25-Y92 WeakPolarHBondContact OH-CD2 3.18Å
93	G	69.1	Low	87.9	Confident	79 Å²	79	70.8 Å²	70.8	81%	0.814	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	0.3	-177.2	0	0	0	0	0	115	Y91	Y91-G93 PolarHBondContact O-N 2.79Å
94	S	73.7	Confident	87.9	Confident	52 Å²	52	73.8 Å²	73.8	36%	0.364	38%	0.379	S	S	.	.			trans	-78.8	139.5	169	-174.2	0	0	0	0	110.7	Y91 Y96	Y91-S94 WeakPolarHBondContact O-CB 3.35Å; Y91-S94 PolarHBondContact O-N 2.84Å; S94-Y96 PolarHBondContact OG-N 3.06Å; S94-Y96 VanDerWaalsContact OG-N 3.14Å; S94-Y96 PolarHBondContact OG-O 3.09Å
95	S	75.4	Confident	87.8	Confident	101 Å²	101	75.5 Å²	75.5	71%	0.706	39%	0.389	S	S	*	.	S	Bend	trans	-93.8	2.8	169.4	47.5	0	0	0	0	113.2
96	Y	79.8	Confident	87.6	Confident	176 Å²	176	75.6 Å²	75.6	69%	0.69	39%	0.39	S	S	*	.	S	Bend	trans	-134.7	147.1	-174.7	-55.3	-78.7	0	0	0	112.2	S94	S94-Y96 PolarHBondContact OG-N 3.06Å; S94-Y96 VanDerWaalsContact OG-N 3.14Å; S94-Y96 PolarHBondContact OG-O 3.09Å
97	F	85.7	Confident	87.4	Confident	71 Å²	71	76 Å²	76	31%	0.311	40%	0.397	S	S	.	.			trans	-84.6	117.3	167.1	-62.6	-63.2	0	0	0	109.5	N27 I29 A88 R89 D90 W100	N27-F97 HydrophobicContact CB-CE1 3.99Å; N27-F97 HydrophobicContact CB-CZ 4.48Å; N27-F97 WeakPolarHBondContact ND2-CE1 3.15Å; I29-F97 HydrophobicContact CD1-CD2 3.93Å; I29-F97 HydrophobicContact CD1-CE1 4.45Å; I29-F97 HydrophobicContact CD1-CE2 3.56Å; I29-F97 HydrophobicContact CD1-CZ 3.86Å; A88-F97 HydrophobicContact CB-CB 4.14Å; A88-F97 HydrophobicContact CB-CD1 3.88Å; A88-F97 HydrophobicContact CB-CG 3.94Å; R89-F97 CarbonylContact O-C 3.55Å; R89-F97 WeakPolarHBondContact O-CA 3.44Å; R89-F97 WeakPolarHBondContact O-CD1 3.48Å; D90-F97 HydrophobicContact CB-CD1 3.82Å; D90-F97 HydrophobicContact CB-CE1 4.08Å; F97-W100 HydrophobicContact CB-CZ2 4.16Å; F97-W100 HydrophobicContact CD2-CH2 4.35Å; F97-W100 AromaticContact CD2-CZ2 3.61Å; F97-W100 HydrophobicContact CD2-CZ2 3.61Å; F97-W100 HydrophobicContact CE2-CZ2 4.43Å; F97-W100 HydrophobicContact CG-CZ2 4.19Å
98	D	85.1	Confident	87.2	Confident	74 Å²	74	75.4 Å²	75.4	40%	0.396	39%	0.393	S	S	.	.			trans	-86.7	-21.2	-176.1	58.9	-7.1	0	0	0	113.1	R89 Y91	R89-D98 IonicContact CZ-OD1 3.85Å; R89-D98 IonicContact CZ-OD2 3.03Å; R89-D98 IonicContact NE-OD1 3.46Å; R89-D98 PolarHBondContact NE-OD1 3.03Å; R89-D98 IonicContact NE-OD2 2.61Å; R89-D98 PolarHBondContact NE-OD2 2.8Å; R89-D98 IonicContact NH2-OD1 3.99Å; R89-D98 IonicContact NH2-OD2 3.66Å; R89-D98 PolarHBondContact NH2-OD2 3.07Å; R89-D98 PolarHBondContact O-N 2.98Å; R89-D98 VanDerWaalsContact O-N 3.11Å; Y91-D98 WeakPolarHBondContact CE2-OD2 3.5Å
99	Y	88	Confident	86.8	Confident	143 Å²	143	77.8 Å²	77.8	56%	0.561	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.6	174.2	-69.7	-90.6	0	0	0	112.2	A88 R89	A88-Y99 CarbonylContact C-O 3.59Å; A88-Y99 WeakPolarHBondContact CA-O 3.49Å; A88-Y99 WeakPolarHBondContact CB-O 3.49Å; R89-Y99 VanDerWaalsContact CZ-CD2 3.4Å; R89-Y99 VanDerWaalsContact CZ-CE2 3.48Å; R89-Y99 PolarHBondContact N-O 3.47Å
100	W	93.5	Very high	86	Confident	112 Å²	112	84.5 Å²	84.5	42%	0.424	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136.4	173.9	-70.5	74.4	0	0	0	110.1	I29 L37 Y86 C87 A88 F97	I29-W100 HydrophobicContact CB-CH2 4.47Å; I29-W100 HydrophobicContact CB-CZ3 4.19Å; I29-W100 HydrophobicContact CD1-CE3 4.48Å; I29-W100 HydrophobicContact CD1-CH2 3.31Å; I29-W100 HydrophobicContact CD1-CZ2 3.93Å; I29-W100 HydrophobicContact CD1-CZ3 3.63Å; I29-W100 HydrophobicContact CG1-CH2 4.46Å; I29-W100 HydrophobicContact CG1-CZ3 4.5Å; I29-W100 HydrophobicContact CG2-CH2 4.16Å; I29-W100 HydrophobicContact CG2-CZ3 4.12Å; L37-W100 HydrophobicContact CD1-CH2 4.27Å; Y86-W100 HydrophobicContact CD1-CE3 4.42Å; Y86-W100 HydrophobicContact CD2-CZ3 4.42Å; Y86-W100 HydrophobicContact CG-CE3 4.08Å; Y86-W100 HydrophobicContact CG-CZ3 4.21Å; C87-W100 CarbonylContact O-C 3.45Å; C87-W100 WeakPolarHBondContact O-CA 3.44Å; A88-W100 HydrophobicContact CB-CD2 4.05Å; A88-W100 HydrophobicContact CB-CE3 4.26Å; A88-W100 HydrophobicContact CB-CG 4.41Å; F97-W100 HydrophobicContact CB-CZ2 4.16Å; F97-W100 HydrophobicContact CD2-CH2 4.35Å; F97-W100 AromaticContact CD2-CZ2 3.61Å; F97-W100 HydrophobicContact CD2-CZ2 3.61Å; F97-W100 HydrophobicContact CE2-CZ2 4.43Å; F97-W100 HydrophobicContact CG-CZ2 4.19Å
101	G	93.4	Very high	85.8	Confident	27 Å²	27	87.3 Å²	87.3	28%	0.278	47%	0.474	S	S	.	.			trans	-70.5	164.7	167.6	0	0	0	0	0	111.6	Y86 C87 G103	Y86-G101 WeakPolarHBondContact CD1-O 3.36Å; C87-G101 PolarHBondContact O-N 3.35Å; G101-G103 PolarHBondContact O-N 3.32Å; G101-G103 VanDerWaalsContact O-N 3.16Å
102	Q	93.7	Very high	85.9	Confident	191 Å²	191	87 Å²	87	89%	0.893	48%	0.48	S	S	*	.			trans	-64.5	-18.6	179	-65.3	-62.8	-48.9	0	0	113.7
103	G	94.3	Very high	86.8	Confident	28 Å²	28	80.6 Å²	80.6	29%	0.289	46%	0.463	S	S	.	.			trans	83.9	150.8	-179.4	0	0	0	0	0	113.4	Y85 G101	Y85-G103 CarbonylContact O-C 3.54Å; Y85-G103 VanDerWaalsContact O-CA 3.23Å; Y85-G103 WeakPolarHBondContact O-CA 3.42Å; G101-G103 PolarHBondContact O-N 3.32Å; G101-G103 VanDerWaalsContact O-N 3.16Å
104	T	95.1	Very high	87.8	Confident	67 Å²	67	80.7 Å²	80.7	41%	0.411	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	117.1	175.6	-62.9	0	0	0	0	109.2	L12 T84 Y85 L106	L12-T104 HydrophobicContact CD2-CG2 4.24Å; T84-T104 WeakPolarHBondContact CA-O 3.24Å; Y85-T104 PolarHBondContact N-O 3.48Å; Y85-T104 PolarHBondContact O-N 3.2Å; T104-L106 HydrophobicContact CG2-CD2 4.2Å
105	T	95.3	Very high	88.7	Confident	58 Å²	58	82.5 Å²	82.5	36%	0.356	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	124.6	176.8	-51.7	0	0	0	0	111.2	P1 S2 T84	P1-T105 CarbonylContact C-O 3.51Å; P1-T105 VanDerWaalsContact CA-O 3.22Å; P1-T105 WeakPolarHBondContact CA-O 3.19Å; P1-T105 HydrophobicContact CB-CG2 4.39Å; S2-T105 PolarHBondContact N-O 3.46Å; T84-T105 PolarHBondContact OG1-OG1 2.79Å
106	L	92.8	Very high	89.6	Confident	6 Å²	6	81.3 Å²	81.3	3%	0.031	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.3	174.4	-61.3	-179.1	0	0	0	110	L10 L12 G83 Y85 T104	L10-L106 HydrophobicContact CD1-CD1 3.61Å; L12-L106 HydrophobicContact CD1-CD1 4.14Å; L12-L106 HydrophobicContact CD2-CD1 3.93Å; L12-L106 HydrophobicContact CD2-CG 4.48Å; L12-L106 HydrophobicContact CG-CD1 4.35Å; G83-L106 PolarHBondContact N-O 3Å; G83-L106 PolarHBondContact O-N 2.86Å; Y85-L106 HydrophobicContact CD2-CB 4.29Å; Y85-L106 HydrophobicContact CD2-CD1 3.75Å; Y85-L106 HydrophobicContact CD2-CG 3.99Å; Y85-L106 HydrophobicContact CE2-CB 4.04Å; Y85-L106 HydrophobicContact CE2-CD1 3.63Å; Y85-L106 HydrophobicContact CE2-CG 4.09Å; Y85-L106 HydrophobicContact CG-CD1 4.49Å; T104-L106 HydrophobicContact CG2-CD2 4.2Å
107	T	93.4	Very high	90.3	Very high	50 Å²	50	74.5 Å²	74.5	31%	0.307	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.1	173.8	-55.6	0	0	0	0	108.6	S2 L3 V4 T82	S2-T107 PolarHBondContact O-N 3.41Å; L3-T107 WeakPolarHBondContact CA-O 3.43Å; L3-T107 HydrophobicContact CD1-CG2 4.06Å; V4-T107 PolarHBondContact N-O 2.91Å; T82-T107 HydrophobicContact CG2-CG2 4.47Å
108	V	90.9	Very high	90.6	Very high	6 Å²	6	74.8 Å²	74.8	4%	0.036	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	112.8	177.9	-174.4	0	0	0	0	108.4	V4 P6 V77 T78 D81 T82	V4-V108 HydrophobicContact CB-CG2 4.43Å; V4-V108 WeakPolarHBondContact O-CA 3.39Å; P6-V108 HydrophobicContact CG-CG1 4.22Å; V77-V108 HydrophobicContact CB-CG1 4.49Å; V77-V108 HydrophobicContact CB-CG2 4.24Å; V77-V108 HydrophobicContact CG2-CG1 4.18Å; V77-V108 HydrophobicContact CG2-CG2 4.38Å; T78-V108 WeakPolarHBondContact O-CB 3.25Å; T78-V108 WeakPolarHBondContact O-CG1 3.23Å; D81-V108 HydrophobicContact CB-CG2 4.46Å; T82-V108 PolarHBondContact OG1-N 2.73Å
109	S	87.9	Confident	91.1	Very high	51 Å²	51	74.8 Å²	74.8	36%	0.357	42%	0.421	S	S	.	.			trans	-141	148.8	179	68.5	0	0	0	0	111.3	L3 V4	L3-S109 WeakPolarHBondContact CD1-OG 3.34Å; V4-S109 PolarHBondContact O-N 2.59Å
110	S	75.1	Confident	91.4	Very high	159 Å²	159	68.6 Å²	68.6	100%	1.112	41%	0.409	S	S	*	.			trans	-75	0	173.1	57.5	0	0	0	0	112.3

Retrieved 110 of 110 residues in 25.6 ms (Link to these results)

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