X5J4U3_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4U3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 111 aa.

						>X5J4U3_MOUSE|X5J4U3
AELVRPGTSVKPSCKASGYTFTSYWINWVKQRPGQGLEWIGNIYPSDSYTSYNQKFKDKATLTVDKSSSTAYMQLSSPTSEDSAVYYCTKMYGNYEAMDYWGQGTSVTVSS
					

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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	A	69.5	Low	80	Confident	121 Å²	121	80.7 Å²	80.7	100%	1	47%	0.465	S	S	*	.				0	141.1	0	0	0	0	0	0	107.9	S106	A1-S106 CarbonylContact C-O 3.59Å; A1-S106 WeakPolarHBondContact CA-O 3.25Å
2	E	79.1	Confident	81.1	Confident	78 Å²	78	74.3 Å²	74.3	36%	0.364	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.7	-176.3	-159.7	171.2	167.9	0	0	109.2	V4 V10 S106 V107 T108	E2-V4 HydrophobicContact CB-CG2 4.44Å; E2-V4 HydrophobicContact CG-CG2 4.01Å; E2-V10 HydrophobicContact CB-CG2 4.45Å; E2-V10 HydrophobicContact CG-CG2 4.14Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.43Å; E2-S106 PolarHBondContact N-O 3.45Å; E2-V107 WeakPolarHBondContact O-CA 3.36Å; E2-T108 PolarHBondContact O-N 3.23Å
3	L	82.2	Confident	82.2	Confident	135 Å²	135	73.8 Å²	73.8	71%	0.707	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	120.5	174.5	-179.2	68.5	0	0	0	108.3	T108	L3-T108 HydrophobicContact CD1-CG2 4.22Å
4	V	81.1	Confident	83.1	Confident	7 Å²	7	69.4 Å²	69.4	4%	0.042	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.8	-168.5	-178.6	0	0	0	0	109.1	E2 T8 V10 P78 V107 T108 V109 S110	E2-V4 HydrophobicContact CB-CG2 4.44Å; E2-V4 HydrophobicContact CG-CG2 4.01Å; V4-T8 VanDerWaalsContact CG1-OG1 3.29Å; V4-T8 WeakPolarHBondContact CG1-OG1 3.3Å; V4-V10 HydrophobicContact CG1-CB 4.26Å; V4-V10 HydrophobicContact CG2-CB 3.76Å; V4-V10 HydrophobicContact CG2-CG2 3.6Å; V4-P78 HydrophobicContact CG1-CG 3.88Å; V4-V107 HydrophobicContact CG2-CG1 4.04Å; V4-T108 PolarHBondContact N-O 3.3Å; V4-V109 HydrophobicContact CB-CG2 4.35Å; V4-V109 WeakPolarHBondContact O-CA 3.47Å; V4-S110 PolarHBondContact O-N 2.74Å
5	R	78.8	Confident	84	Confident	195 Å²	195	75.3 Å²	75.3	74%	0.736	43%	0.425	S	S	*	.			trans	-77.9	146	172.8	-67.4	-176.4	-178.3	-177.6	0.4	109.7	G7 T8	R5-G7 PolarHBondContact O-N 3.2Å; R5-T8 HydrophobicContact CB-CG2 4.09Å; R5-T8 PolarHBondContact N-OG1 3.02Å; R5-T8 PolarHBondContact O-N 2.9Å; R5-T8 VanDerWaalsContact O-N 3.08Å; R5-T8 PolarHBondContact O-OG1 2.82Å
6	P	72.8	Confident	84.5	Confident	64 Å²	64	71.4 Å²	71.4	42%	0.416	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	137.2	177.3	-20.7	34.4	0	0	0	109.8	T8 V109 S110	P6-T8 VanDerWaalsContact C-N 3.28Å; P6-T8 PolarHBondContact O-N 2.83Å; P6-V109 HydrophobicContact CB-CG1 4.41Å; P6-V109 HydrophobicContact CG-CG1 4.21Å; P6-S110 WeakPolarHBondContact CD-O 2.76Å; P6-S110 WeakPolarHBondContact CG-O 3.45Å
7	G	67.7	Low	84.8	Confident	49 Å²	49	73.5 Å²	73.5	51%	0.505	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	-3.2	-178.7	0	0	0	0	0	115.7	R5	R5-G7 PolarHBondContact O-N 3.2Å
8	T	80.9	Confident	85	Confident	66 Å²	66	74.2 Å²	74.2	41%	0.405	45%	0.451	S	S	.	.	S	Bend	trans	-95.8	142.4	172	60.2	0	0	0	0	111.4	V4 R5 P6 P78	V4-T8 VanDerWaalsContact CG1-OG1 3.29Å; V4-T8 WeakPolarHBondContact CG1-OG1 3.3Å; R5-T8 HydrophobicContact CB-CG2 4.09Å; R5-T8 PolarHBondContact N-OG1 3.02Å; R5-T8 PolarHBondContact O-N 2.9Å; R5-T8 VanDerWaalsContact O-N 3.08Å; R5-T8 PolarHBondContact O-OG1 2.82Å; P6-T8 VanDerWaalsContact C-N 3.28Å; P6-T8 PolarHBondContact O-N 2.83Å; T8-P78 WeakPolarHBondContact O-CD 3.3Å; T8-P78 VanDerWaalsContact O-CG 3.26Å; T8-P78 WeakPolarHBondContact O-CG 3.47Å
9	S	83.9	Confident	85.1	Confident	71 Å²	71	73.1 Å²	73.1	50%	0.497	44%	0.438	S	S	.	.			trans	-73.7	144.9	179.2	53.3	0	0	0	0	111.9	L75	S9-L75 VanDerWaalsContact CA-O 3.3Å; S9-L75 WeakPolarHBondContact CA-O 3.45Å
10	V	90.8	Very high	85.5	Confident	0 Å²	0	74 Å²	74	0%	0	44%	0.444	C	S	.	.	B	Isolated β-bridge	trans	-118.9	139.7	172.7	63.1	0	0	0	0	108.6	E2 V4 P12 Q74 L75 P78 V107	E2-V10 HydrophobicContact CB-CG2 4.45Å; E2-V10 HydrophobicContact CG-CG2 4.14Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.43Å; V4-V10 HydrophobicContact CG1-CB 4.26Å; V4-V10 HydrophobicContact CG2-CB 3.76Å; V4-V10 HydrophobicContact CG2-CG2 3.6Å; V10-P12 HydrophobicContact CG2-CG 4.46Å; V10-Q74 CarbonylContact O-C 3.57Å; V10-Q74 WeakPolarHBondContact O-CA 3.31Å; V10-L75 HydrophobicContact CG1-CB 3.68Å; V10-L75 HydrophobicContact CG1-CD1 3.89Å; V10-L75 HydrophobicContact CG1-CG 4.24Å; V10-L75 PolarHBondContact N-O 2.88Å; V10-L75 VanDerWaalsContact N-O 3.15Å; V10-L75 PolarHBondContact O-N 2.91Å; V10-P78 HydrophobicContact CG1-CG 4.31Å; V10-V107 HydrophobicContact CG1-CG1 4.26Å; V10-V107 HydrophobicContact CG2-CG1 4.1Å; V10-V107 HydrophobicContact CG2-CG2 4.01Å
11	K	93.3	Very high	85.8	Confident	102 Å²	102	70.7 Å²	70.7	44%	0.443	42%	0.424	S	S	.	.			trans	-131.3	75	-174.3	-167	178.5	178.3	179.4	0	112.7	Y72 M73 Q74	K11-Y72 HydrophobicContact CD-CD1 4.37Å; K11-Y72 VanDerWaalsContact CE-CB 3.47Å; K11-Y72 HydrophobicContact CG-CD1 4.24Å; K11-M73 CarbonylContact C-O 3.58Å; K11-M73 VanDerWaalsContact CA-O 3.31Å; K11-M73 WeakPolarHBondContact CA-O 3.28Å; K11-Q74 HydrophobicContact CG-CB 4.26Å
12	P	93.3	Very high	87	Confident	4 Å²	4	67.5 Å²	67.5	3%	0.026	39%	0.392	C	S	.	.			trans	-55.7	140.8	171.8	-28.3	38.4	0	0	0	112.1	V10 W28 Y72 M73 V107	V10-P12 HydrophobicContact CG2-CG 4.46Å; P12-W28 HydrophobicContact CB-CH2 4.12Å; P12-W28 HydrophobicContact CB-CZ3 3.83Å; P12-W28 WeakPolarHBondContact O-CH2 3.4Å; P12-Y72 WeakPolarHBondContact O-CA 3.27Å; P12-M73 HydrophobicContact CB-CE 4.3Å; P12-M73 WeakPolarHBondContact CD-O 3.08Å; P12-M73 HydrophobicContact CG-CE 3.76Å; P12-M73 PolarHBondContact O-N 2.87Å; P12-M73 VanDerWaalsContact O-N 3.07Å; P12-V107 HydrophobicContact CG-CG2 4.27Å
13	S	95.3	Very high	87.6	Confident	68 Å²	68	65.6 Å²	65.6	48%	0.476	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	150.8	178.6	67.2	0	0	0	0	111.4	A71 Y72	S13-A71 CarbonylContact C-O 3.58Å; S13-A71 WeakPolarHBondContact CA-O 3.45Å; S13-Y72 VanDerWaalsContact CB-CD1 3.45Å; S13-Y72 VanDerWaalsContact CB-CE1 3.42Å
14	C	95.4	Very high	88	Confident	12 Å²	12	61.6 Å²	61.6	8%	0.081	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	102	177.4	-176.3	0	0	0	0	108.8	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.85Å; C14-W28 HydrophobicContact CB-CZ2 3.91Å; C14-T70 CarbonylContact O-C 3.53Å; C14-T70 WeakPolarHBondContact O-CA 3.41Å; C14-A71 HydrophobicContact CB-CB 4.4Å; C14-A71 PolarHBondContact N-O 3.13Å; C14-A71 PolarHBondContact O-N 3.12Å; C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.19Å; C14-C88 WeakPolarHBondContact SG-CB 3.37Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.05Å
15	K	95.4	Very high	88.6	Confident	157 Å²	157	63.1 Å²	63.1	68%	0.683	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	124.8	179.9	-172.7	175.4	-177.8	178.3	0	110.2	T70	K15-T70 HydrophobicContact CB-CG2 4.44Å
16	A	92.1	Very high	89.4	Confident	13 Å²	13	53.9 Å²	53.9	11%	0.107	33%	0.334	C	S	.	.			trans	-72.7	145.6	174.8	0	0	0	0	0	111.5	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.72Å; A16-Y19 HydrophobicContact CB-CE2 3.98Å; A16-Y19 VanDerWaalsContact CB-OH 3.31Å; A16-Y19 WeakPolarHBondContact CB-OH 3.48Å; A16-F21 HydrophobicContact CB-CB 3.88Å; A16-F21 HydrophobicContact CB-CD2 3.46Å; A16-F21 VanDerWaalsContact CB-CD2 3.46Å; A16-F21 HydrophobicContact CB-CE2 4.25Å; A16-F21 HydrophobicContact CB-CG 3.96Å; A16-S69 WeakPolarHBondContact CB-O 3.46Å; A16-S69 PolarHBondContact N-O 2.96Å
17	S	89.9	Confident	90.5	Very high	108 Å²	108	51 Å²	51	76%	0.755	32%	0.315	S	S	*	.			trans	-146	133.5	174.3	-177.7	0	0	0	0	109.4	Y19	S17-Y19 VanDerWaalsContact O-CD1 3.24Å; S17-Y19 WeakPolarHBondContact O-CD1 3.26Å
18	G	88.6	Confident	91.9	Very high	85 Å²	85	48.8 Å²	48.8	88%	0.876	29%	0.291	S	S	*	.	S	Bend	trans	75.8	19	174.7	0	0	0	0	0	116.1
19	Y	87.6	Confident	92.6	Very high	54 Å²	54	45.9 Å²	45.9	21%	0.212	27%	0.274	C	S	.	.	S	Bend	trans	-156.1	162.9	172.7	64.6	-83.6	0	0	0	112.3	A16 S17 F21 Y24 K90	A16-Y19 HydrophobicContact CB-CE1 3.72Å; A16-Y19 HydrophobicContact CB-CE2 3.98Å; A16-Y19 VanDerWaalsContact CB-OH 3.31Å; A16-Y19 WeakPolarHBondContact CB-OH 3.48Å; S17-Y19 VanDerWaalsContact O-CD1 3.24Å; S17-Y19 WeakPolarHBondContact O-CD1 3.26Å; Y19-F21 HydrophobicContact CE2-CD2 4.39Å; Y19-F21 PolarHBondContact O-N 3.06Å; Y19-Y24 AromaticContact CD2-CD2 3.46Å; Y19-Y24 HydrophobicContact CD2-CD2 3.46Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.46Å; Y19-Y24 AromaticContact CD2-CE2 3.7Å; Y19-Y24 HydrophobicContact CD2-CE2 3.7Å; Y19-Y24 AromaticContact CD2-CG 3.99Å; Y19-Y24 HydrophobicContact CD2-CG 3.99Å; Y19-Y24 AromaticContact CE2-CD2 3.95Å; Y19-Y24 HydrophobicContact CE2-CD2 3.95Å; Y19-Y24 HydrophobicContact CE2-CG 4.08Å; Y19-Y24 HydrophobicContact CG-CD2 4.48Å; Y19-Y24 HydrophobicContact CG-CE2 4.33Å; Y19-K90 HydrophobicContact CD1-CD 3.92Å; Y19-K90 VanDerWaalsContact CD1-NZ 3.26Å; Y19-K90 HydrophobicContact CD2-CD 4.12Å; Y19-K90 HydrophobicContact CE1-CD 3.6Å; Y19-K90 HydrophobicContact CE2-CD 3.8Å; Y19-K90 HydrophobicContact CG-CD 4.18Å
20	T	92.1	Very high	93.2	Very high	90 Å²	90	42.6 Å²	42.6	55%	0.552	25%	0.25	S	S	*	.			trans	-70.4	96.1	173.7	-51.9	0	0	0	0	110.1	T22 S23 Y24	T20-T22 PolarHBondContact O-N 3.22Å; T20-T22 VanDerWaalsContact O-N 3.11Å; T20-S23 WeakPolarHBondContact CG2-OG 3.41Å; T20-S23 PolarHBondContact O-N 3.31Å; T20-Y24 VanDerWaalsContact O-CD2 3.27Å; T20-Y24 WeakPolarHBondContact O-CD2 3Å
21	F	92.8	Very high	93.4	Very high	5 Å²	5	45.9 Å²	45.9	2%	0.022	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-50.9	-38.5	-174.3	177.1	-121.8	0	0	0	114.1	A16 Y19 S23 Y24 I26 P45 V64 A71	A16-F21 HydrophobicContact CB-CB 3.88Å; A16-F21 HydrophobicContact CB-CD2 3.46Å; A16-F21 VanDerWaalsContact CB-CD2 3.46Å; A16-F21 HydrophobicContact CB-CE2 4.25Å; A16-F21 HydrophobicContact CB-CG 3.96Å; Y19-F21 HydrophobicContact CE2-CD2 4.39Å; Y19-F21 PolarHBondContact O-N 3.06Å; F21-S23 PolarHBondContact O-N 2.83Å; F21-Y24 PolarHBondContact O-N 3.07Å; F21-I26 HydrophobicContact CD2-CD1 4.06Å; F21-I26 HydrophobicContact CD2-CG1 4.37Å; F21-I26 HydrophobicContact CE2-CD1 3.71Å; F21-I26 HydrophobicContact CE2-CG1 3.63Å; F21-I26 HydrophobicContact CZ-CG1 4.29Å; F21-P45 HydrophobicContact CD1-CB 3.84Å; F21-P45 HydrophobicContact CD1-CG 4.21Å; F21-P45 HydrophobicContact CD2-CG 4.24Å; F21-P45 HydrophobicContact CE1-CB 3.53Å; F21-P45 HydrophobicContact CE1-CG 3.83Å; F21-P45 HydrophobicContact CE2-CB 4.49Å; F21-P45 HydrophobicContact CE2-CG 3.89Å; F21-P45 HydrophobicContact CG-CB 4.45Å; F21-P45 HydrophobicContact CG-CG 4.42Å; F21-P45 HydrophobicContact CZ-CB 3.9Å; F21-P45 HydrophobicContact CZ-CG 3.66Å; F21-V64 HydrophobicContact CE1-CB 4.39Å; F21-V64 HydrophobicContact CE1-CG1 4.34Å; F21-V64 HydrophobicContact CZ-CG1 4.08Å; F21-A71 HydrophobicContact CE2-CB 4.31Å; F21-A71 HydrophobicContact CZ-CB 3.97Å
22	T	93.8	Very high	93.5	Very high	54 Å²	54	43.7 Å²	43.7	33%	0.331	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-74.4	-4.6	-178	50.8	0	0	0	0	114.9	T20 S46 K66	T20-T22 PolarHBondContact O-N 3.22Å; T20-T22 VanDerWaalsContact O-N 3.11Å; T22-S46 WeakPolarHBondContact O-CB 3.2Å; T22-K66 HydrophobicContact CG2-CG 4.5Å
23	S	91.8	Very high	93.3	Very high	39 Å²	39	49 Å²	49	27%	0.273	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-99.3	3	178.8	-53.9	0	0	0	0	113.7	T20 F21	T20-S23 WeakPolarHBondContact CG2-OG 3.41Å; T20-S23 PolarHBondContact O-N 3.31Å; F21-S23 PolarHBondContact O-N 2.83Å
24	Y	91.6	Very high	93.1	Very high	51 Å²	51	50.2 Å²	50.2	20%	0.2	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.6	-172.6	-68.1	-104.8	0	0	0	111.1	Y19 T20 F21 P45 K90 M91 Y92	Y19-Y24 AromaticContact CD2-CD2 3.46Å; Y19-Y24 HydrophobicContact CD2-CD2 3.46Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.46Å; Y19-Y24 AromaticContact CD2-CE2 3.7Å; Y19-Y24 HydrophobicContact CD2-CE2 3.7Å; Y19-Y24 AromaticContact CD2-CG 3.99Å; Y19-Y24 HydrophobicContact CD2-CG 3.99Å; Y19-Y24 AromaticContact CE2-CD2 3.95Å; Y19-Y24 HydrophobicContact CE2-CD2 3.95Å; Y19-Y24 HydrophobicContact CE2-CG 4.08Å; Y19-Y24 HydrophobicContact CG-CD2 4.48Å; Y19-Y24 HydrophobicContact CG-CE2 4.33Å; T20-Y24 VanDerWaalsContact O-CD2 3.27Å; T20-Y24 WeakPolarHBondContact O-CD2 3Å; F21-Y24 PolarHBondContact O-N 3.07Å; Y24-P45 WeakPolarHBondContact O-CD 2.94Å; Y24-K90 HydrophobicContact CD1-CB 4.26Å; Y24-K90 HydrophobicContact CD1-CD 4.03Å; Y24-K90 HydrophobicContact CD1-CG 4.14Å; Y24-K90 HydrophobicContact CE1-CD 4.27Å; Y24-M91 CarbonylContact C-O 3.53Å; Y24-M91 VanDerWaalsContact CA-O 3.29Å; Y24-M91 WeakPolarHBondContact CA-O 3.41Å; Y24-Y92 HydrophobicContact CD1-CD2 4.06Å; Y24-Y92 HydrophobicContact CD1-CG 4.5Å; Y24-Y92 HydrophobicContact CD2-CD2 4.31Å; Y24-Y92 AromaticContact CE1-CD2 3.59Å; Y24-Y92 HydrophobicContact CE1-CD2 3.59Å; Y24-Y92 HydrophobicContact CE1-CG 4.04Å; Y24-Y92 AromaticContact CE2-CD2 3.85Å; Y24-Y92 HydrophobicContact CE2-CD2 3.85Å; Y24-Y92 HydrophobicContact CE2-CE2 4.31Å; Y24-Y92 HydrophobicContact CG-CD2 4.4Å; Y24-Y92 AromaticContact CZ-CD2 3.45Å; Y24-Y92 VanDerWaalsContact CZ-CD2 3.45Å
25	W	93.4	Very high	92.9	Very high	39 Å²	39	54.4 Å²	54.4	15%	0.148	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	137.1	163.5	-68.3	92.2	0	0	0	109.9	N42 Y44 Y49 K90 M91 G93	W25-N42 HydrophobicContact CE3-CB 4.15Å; W25-N42 VanDerWaalsContact CE3-OD1 3.31Å; W25-N42 WeakPolarHBondContact CZ3-OD1 2.98Å; W25-Y44 AromaticContact CD1-CD2 3.97Å; W25-Y44 AromaticContact CD2-CD2 3.79Å; W25-Y44 HydrophobicContact CD2-CD2 3.79Å; W25-Y44 HydrophobicContact CD2-CG 4.09Å; W25-Y44 AromaticContact CE2-CD2 3.79Å; W25-Y44 AromaticContact CE2-CG 3.93Å; W25-Y44 HydrophobicContact CE3-CD2 4.39Å; W25-Y44 HydrophobicContact CE3-CG 4.35Å; W25-Y44 AromaticContact CG-CD2 3.91Å; W25-Y44 HydrophobicContact CG-CD2 3.91Å; W25-Y44 HydrophobicContact CH2-CG 4.33Å; W25-Y44 HydrophobicContact CZ2-CD1 4.49Å; W25-Y44 HydrophobicContact CZ2-CD2 4.37Å; W25-Y44 HydrophobicContact CZ2-CG 4.05Å; W25-Y44 HydrophobicContact CZ3-CG 4.48Å; W25-Y44 AromaticContact NE1-CD2 3.89Å; W25-Y49 AromaticContact CH2-CD1 3.4Å; W25-Y49 HydrophobicContact CH2-CD1 3.4Å; W25-Y49 VanDerWaalsContact CH2-CD1 3.4Å; W25-Y49 AromaticContact CH2-CE1 3.93Å; W25-Y49 HydrophobicContact CH2-CE1 3.93Å; W25-Y49 HydrophobicContact CH2-CG 4.33Å; W25-Y49 AromaticContact CZ3-CD1 3.73Å; W25-Y49 HydrophobicContact CZ3-CD1 3.73Å; W25-Y49 HydrophobicContact CZ3-CE1 4.34Å; W25-K90 CarbonylContact O-C 3.55Å; W25-K90 VanDerWaalsContact O-CA 3.28Å; W25-K90 WeakPolarHBondContact O-CA 3.5Å; W25-M91 HydrophobicContact CB-CB 4.28Å; W25-M91 HydrophobicContact CB-CE 4.22Å; W25-M91 HydrophobicContact CG-CE 4.04Å; W25-M91 PolarHBondContact N-O 3.5Å; W25-M91 PolarHBondContact O-N 3.11Å; W25-G93 PolarHBondContact NE1-O 3.15Å
26	I	95	Very high	92.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.1	171.1	-50.2	-61.9	0	0	0	107.7	F21 N42 I43 P45 A71 C88 T89 K90	F21-I26 HydrophobicContact CD2-CD1 4.06Å; F21-I26 HydrophobicContact CD2-CG1 4.37Å; F21-I26 HydrophobicContact CE2-CD1 3.71Å; F21-I26 HydrophobicContact CE2-CG1 3.63Å; F21-I26 HydrophobicContact CZ-CG1 4.29Å; I26-N42 CarbonylContact O-C 3.53Å; I26-N42 WeakPolarHBondContact O-CA 3.49Å; I26-N42 WeakPolarHBondContact O-CB 3.43Å; I26-I43 HydrophobicContact CB-CG2 4.09Å; I26-I43 PolarHBondContact N-O 2.79Å; I26-I43 PolarHBondContact O-N 3.38Å; I26-P45 HydrophobicContact CG1-CG 3.81Å; I26-A71 HydrophobicContact CB-CB 4.15Å; I26-A71 HydrophobicContact CG1-CB 4.23Å; I26-A71 HydrophobicContact CG2-CB 3.76Å; I26-C88 HydrophobicContact CG2-CB 4.31Å; I26-T89 CarbonylContact C-O 3.38Å; I26-T89 WeakPolarHBondContact CA-O 3.45Å; I26-K90 HydrophobicContact CD1-CB 4.23Å
27	N	95.4	Very high	92.9	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.021	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	148.7	177.6	-61.4	-94.3	0	0	0	110	W39 G41 N42 C88 T89 M98	N27-W39 PolarHBondContact OD1-NE1 2.82Å; N27-G41 WeakPolarHBondContact CA-O 3.05Å; N27-N42 HydrophobicContact CB-CB 4.36Å; N27-N42 VanDerWaalsContact OD1-CB 3.27Å; N27-N42 WeakPolarHBondContact OD1-CB 3.45Å; N27-C88 CarbonylContact O-C 3.59Å; N27-C88 WeakPolarHBondContact O-CA 3.3Å; N27-T89 WeakPolarHBondContact CB-OG1 3.46Å; N27-T89 PolarHBondContact N-O 3.01Å; N27-T89 PolarHBondContact O-N 2.8Å; N27-M98 HydrophobicContact CB-CE 3.69Å; N27-M98 HydrophobicContact CB-SD 4.44Å; N27-M98 WeakPolarHBondContact OD1-CE 2.89Å
28	W	96.9	Very high	93.2	Very high	3 Å²	3	50 Å²	50	1%	0.011	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.1	172.5	-70.2	92.8	0	0	0	110	P12 C14 I40 G41 L62 A71 M73 Y87 C88	P12-W28 HydrophobicContact CB-CH2 4.12Å; P12-W28 HydrophobicContact CB-CZ3 3.83Å; P12-W28 WeakPolarHBondContact O-CH2 3.4Å; C14-W28 HydrophobicContact CB-CH2 3.85Å; C14-W28 HydrophobicContact CB-CZ2 3.91Å; W28-I40 HydrophobicContact CB-CB 4.11Å; W28-I40 HydrophobicContact CB-CD1 4.29Å; W28-I40 WeakPolarHBondContact O-CB 3.2Å; W28-I40 PolarHBondContact O-N 2.57Å; W28-G41 PolarHBondContact N-O 2.8Å; W28-L62 VanDerWaalsContact CD1-CD2 3.46Å; W28-L62 HydrophobicContact CG-CD2 4.05Å; W28-A71 HydrophobicContact CZ2-CB 4.36Å; W28-M73 HydrophobicContact CB-SD 4.28Å; W28-M73 HydrophobicContact CD2-CB 3.53Å; W28-M73 HydrophobicContact CD2-CG 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.4Å; W28-M73 HydrophobicContact CE3-CB 3.83Å; W28-M73 HydrophobicContact CE3-CE 4.42Å; W28-M73 HydrophobicContact CE3-SD 4.3Å; W28-M73 HydrophobicContact CG-CB 3.97Å; W28-M73 HydrophobicContact CG-CG 4.47Å; W28-M73 HydrophobicContact CG-SD 4.41Å; W28-M73 HydrophobicContact CH2-CB 4.18Å; W28-M73 HydrophobicContact CZ2-CB 3.93Å; W28-M73 HydrophobicContact CZ3-CB 4.14Å; W28-Y87 WeakPolarHBondContact CA-O 3.2Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.26Å; W28-C88 HydrophobicContact CH2-CB 4.35Å; W28-C88 HydrophobicContact CZ3-CB 4.2Å
29	V	96.4	Very high	93.5	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.03	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134	-175.9	-175.7	0	0	0	0	109.4	L37 E38 Y86 Y87 T89 W101	V29-L37 HydrophobicContact CG1-CB 3.82Å; V29-L37 HydrophobicContact CG1-CD2 3.84Å; V29-L37 HydrophobicContact CG1-CG 4.37Å; V29-E38 WeakPolarHBondContact CA-O 3.25Å; V29-Y86 CarbonylContact O-C 3.41Å; V29-Y86 WeakPolarHBondContact O-CA 3.29Å; V29-Y87 PolarHBondContact N-O 2.89Å; V29-Y87 PolarHBondContact O-N 2.97Å; V29-T89 HydrophobicContact CG2-CG2 4.42Å; V29-W101 HydrophobicContact CB-CH2 4.14Å; V29-W101 HydrophobicContact CB-CZ3 3.99Å; V29-W101 HydrophobicContact CG1-CH2 3.98Å; V29-W101 HydrophobicContact CG1-CZ3 4.04Å; V29-W101 HydrophobicContact CG2-CH2 3.93Å; V29-W101 HydrophobicContact CG2-CZ3 4.17Å
30	K	95.8	Very high	93.9	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	137.7	174.5	-175.2	-179.5	179.7	-178.2	0	109.6	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.39Å; K30-E38 PolarHBondContact N-O 2.83Å; K30-E38 PolarHBondContact O-N 3.38Å; K30-I40 HydrophobicContact CB-CD1 4.01Å; K30-I40 HydrophobicContact CB-CG1 4.17Å; K30-F56 HydrophobicContact CD-CE1 4.03Å; K30-F56 HydrophobicContact CD-CZ 4.08Å; K30-E81 PolarHBondContact NZ-O 3.43Å; K30-D82 IonicContact NZ-OD1 3.31Å; K30-D82 PolarHBondContact NZ-OD1 2.87Å; K30-A84 HydrophobicContact CD-CB 4.17Å; K30-A84 HydrophobicContact CG-CB 3.51Å; K30-Y86 HydrophobicContact CB-CD1 4.32Å; K30-Y86 HydrophobicContact CB-CE1 4.05Å; K30-Y86 HydrophobicContact CD-CE1 4.14Å; K30-Y86 HydrophobicContact CG-CD1 4.45Å; K30-Y86 HydrophobicContact CG-CE1 3.89Å
31	Q	96.3	Very high	94.1	Very high	69 Å²	69	42.6 Å²	42.6	32%	0.322	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	116.4	168.9	-165.5	-178.4	26.8	0	0	110.2	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.91Å; Q31-L37 HydrophobicContact CG-CD2 3.98Å; Q31-A84 WeakPolarHBondContact O-CA 2.93Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.23Å; Q31-V85 PolarHBondContact N-O 2.87Å; Q31-V85 PolarHBondContact O-N 2.88Å; Q31-Y87 HydrophobicContact CB-CD2 4.31Å; Q31-Y87 HydrophobicContact CB-CE2 3.72Å; Q31-Y87 PolarHBondContact OE1-OH 2.86Å
32	R	94.2	Very high	94.3	Very high	56 Å²	56	43.4 Å²	43.4	21%	0.211	26%	0.256	C	S	.	.			trans	-85.6	149	169.2	-62.1	-164.8	-171.3	94.5	-3.7	110.2	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 3.04Å; R32-Q35 HydrophobicContact CB-CB 4.01Å; R32-Q35 HydrophobicContact CB-CG 4.02Å; R32-Q35 PolarHBondContact O-N 3.04Å; R32-E38 IonicContact CZ-OE1 2.57Å; R32-E38 IonicContact NH1-OE1 3.65Å; R32-E38 PolarHBondContact NH1-OE1 2.98Å; R32-E81 PolarHBondContact NE-O 3.15Å; R32-E81 PolarHBondContact NH2-O 2.83Å; R32-E81 VanDerWaalsContact NH2-O 3.13Å; R32-A84 HydrophobicContact CG-CB 4.24Å
33	P	89.3	Confident	94.4	Very high	117 Å²	117	41 Å²	41	76%	0.76	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	126.1	172.1	-25	34.4	0	0	0	111.3	Q35	P33-Q35 PolarHBondContact O-N 3.46Å
34	G	90.8	Very high	94.6	Very high	93 Å²	93	41.7 Å²	41.7	96%	0.959	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.5	4.6	-179.8	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 3.04Å
35	Q	92.4	Very high	94.8	Very high	100 Å²	100	39.2 Å²	39.2	47%	0.467	23%	0.228	S	C	.	.	S	Bend	trans	-114	162.5	175.1	-57.2	-173.2	-0.2	0	0	111.6	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.01Å; R32-Q35 HydrophobicContact CB-CG 4.02Å; R32-Q35 PolarHBondContact O-N 3.04Å; P33-Q35 PolarHBondContact O-N 3.46Å
36	G	92.4	Very high	94.8	Very high	56 Å²	56	39.6 Å²	39.6	58%	0.577	24%	0.236	S	C	*	.			trans	-67.8	174.9	173.5	0	0	0	0	0	113.3
37	L	94.5	Very high	94.8	Very high	95 Å²	95	44.4 Å²	44.4	50%	0.497	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	128.2	174.6	-65.5	166.5	0	0	0	110.1	V29 Q31 W101	V29-L37 HydrophobicContact CG1-CB 3.82Å; V29-L37 HydrophobicContact CG1-CD2 3.84Å; V29-L37 HydrophobicContact CG1-CG 4.37Å; Q31-L37 HydrophobicContact CB-CD2 3.91Å; Q31-L37 HydrophobicContact CG-CD2 3.98Å; L37-W101 HydrophobicContact CD1-CH2 3.74Å; L37-W101 HydrophobicContact CD1-CZ2 4.36Å; L37-W101 HydrophobicContact CD1-CZ3 4.32Å; L37-W101 HydrophobicContact CD2-CH2 4.21Å; L37-W101 HydrophobicContact CD2-CZ3 4.07Å; L37-W101 HydrophobicContact CG-CH2 4.5Å
38	E	95.7	Very high	94.8	Very high	33 Å²	33	47.1 Å²	47.1	15%	0.154	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.7	174.7	-63.9	-168.1	-93.6	0	0	109.7	V29 K30 R32 I40 K55 F56	V29-E38 WeakPolarHBondContact CA-O 3.25Å; K30-E38 HydrophobicContact CB-CB 4.39Å; K30-E38 PolarHBondContact N-O 2.83Å; K30-E38 PolarHBondContact O-N 3.38Å; R32-E38 IonicContact CZ-OE1 2.57Å; R32-E38 IonicContact NH1-OE1 3.65Å; R32-E38 PolarHBondContact NH1-OE1 2.98Å; E38-I40 PolarHBondContact O-N 2.82Å; E38-K55 IonicContact OE2-NZ 2.83Å; E38-K55 PolarHBondContact OE2-NZ 2.96Å; E38-F56 HydrophobicContact CB-CE2 4.39Å; E38-F56 HydrophobicContact CB-CZ 4.39Å
39	W	95.4	Very high	94.8	Very high	75 Å²	75	53.6 Å²	53.6	28%	0.284	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	128.4	173.7	-179.6	80.3	0	0	0	110.6	N27 G41 N42 N53	N27-W39 PolarHBondContact OD1-NE1 2.82Å; W39-G41 PolarHBondContact NE1-O 2.89Å; W39-N42 HydrophobicContact CZ2-CB 4.05Å; W39-N53 HydrophobicContact CE3-CB 3.75Å; W39-N53 HydrophobicContact CZ3-CB 3.92Å; W39-N53 VanDerWaalsContact CZ3-N 3.3Å; W39-N53 WeakPolarHBondContact O-CB 3.35Å; W39-N53 PolarHBondContact O-ND2 3.2Å
40	I	96.7	Very high	94.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-47.2	-177.7	-61.7	176	0	0	0	110.4	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.11Å; W28-I40 HydrophobicContact CB-CD1 4.29Å; W28-I40 WeakPolarHBondContact O-CB 3.2Å; W28-I40 PolarHBondContact O-N 2.57Å; K30-I40 HydrophobicContact CB-CD1 4.01Å; K30-I40 HydrophobicContact CB-CG1 4.17Å; E38-I40 PolarHBondContact O-N 2.82Å; I40-N53 WeakPolarHBondContact O-CB 3.47Å; I40-N53 PolarHBondContact O-N 2.95Å; I40-F56 HydrophobicContact CB-CD2 4.36Å; I40-F56 HydrophobicContact CB-CG 4.3Å; I40-F56 HydrophobicContact CG1-CD1 4.26Å; I40-F56 HydrophobicContact CG1-CD2 4.27Å; I40-F56 HydrophobicContact CG1-CE1 4.27Å; I40-F56 HydrophobicContact CG1-CE2 4.28Å; I40-F56 HydrophobicContact CG1-CG 4.26Å; I40-F56 HydrophobicContact CG1-CZ 4.28Å; I40-F56 HydrophobicContact CG2-CB 3.77Å; I40-F56 HydrophobicContact CG2-CD1 4.29Å; I40-F56 HydrophobicContact CG2-CD2 4.45Å; I40-F56 HydrophobicContact CG2-CG 3.93Å; I40-A60 HydrophobicContact CG2-CB 3.75Å; I40-M73 HydrophobicContact CD1-SD 3.45Å; I40-M73 WeakPolarHBondContact CD1-SD 3.37Å; I40-M73 HydrophobicContact CG2-SD 4.17Å; I40-Y86 HydrophobicContact CD1-CD1 3.71Å; I40-Y86 HydrophobicContact CD1-CE1 3.7Å
41	G	96.1	Very high	94.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.8	175.1	-170.5	0	0	0	0	0	111.7	N27 W28 W39 S51	N27-G41 WeakPolarHBondContact CA-O 3.05Å; W28-G41 PolarHBondContact N-O 2.8Å; W39-G41 PolarHBondContact NE1-O 2.89Å; G41-S51 CarbonylContact C-O 3.48Å; G41-S51 WeakPolarHBondContact CA-O 3.4Å
42	N	95.8	Very high	94.8	Very high	22 Å²	22	57 Å²	57	12%	0.118	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	159	173.4	66.1	33.8	0	0	0	112	W25 I26 N27 W39 T50 S51 L62	W25-N42 HydrophobicContact CE3-CB 4.15Å; W25-N42 VanDerWaalsContact CE3-OD1 3.31Å; W25-N42 WeakPolarHBondContact CZ3-OD1 2.98Å; I26-N42 CarbonylContact O-C 3.53Å; I26-N42 WeakPolarHBondContact O-CA 3.49Å; I26-N42 WeakPolarHBondContact O-CB 3.43Å; N27-N42 HydrophobicContact CB-CB 4.36Å; N27-N42 VanDerWaalsContact OD1-CB 3.27Å; N27-N42 WeakPolarHBondContact OD1-CB 3.45Å; W39-N42 HydrophobicContact CZ2-CB 4.05Å; N42-T50 VanDerWaalsContact O-CA 3.29Å; N42-T50 WeakPolarHBondContact O-CA 3.26Å; N42-S51 PolarHBondContact N-O 2.89Å; N42-S51 PolarHBondContact O-N 3.3Å; N42-S51 WeakPolarHBondContact OD1-CB 2.87Å; N42-L62 WeakPolarHBondContact O-CD1 3.16Å
43	I	96.4	Very high	94.9	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.01	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	133.7	175.3	-174.4	157.3	0	0	0	109.2	I26 P45 Y49 T50 L62 V64 A71	I26-I43 HydrophobicContact CB-CG2 4.09Å; I26-I43 PolarHBondContact N-O 2.79Å; I26-I43 PolarHBondContact O-N 3.38Å; I43-P45 WeakPolarHBondContact O-CD 3.29Å; I43-Y49 CarbonylContact C-O 3.57Å; I43-Y49 VanDerWaalsContact CA-O 3.31Å; I43-Y49 WeakPolarHBondContact CA-O 2.97Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.64Å; I43-T50 HydrophobicContact CG1-CG2 3.75Å; I43-L62 HydrophobicContact CB-CB 4.15Å; I43-L62 HydrophobicContact CB-CD1 4.41Å; I43-L62 HydrophobicContact CD1-CB 4.17Å; I43-L62 HydrophobicContact CG2-CB 4.46Å; I43-V64 HydrophobicContact CD1-CB 4.44Å; I43-V64 HydrophobicContact CD1-CG1 3.73Å; I43-V64 HydrophobicContact CD1-CG2 4.2Å; I43-V64 HydrophobicContact CG1-CG1 3.9Å; I43-V64 HydrophobicContact CG2-CG1 3.92Å; I43-A71 HydrophobicContact CG2-CB 4.43Å
44	Y	95.6	Very high	95.1	Very high	54 Å²	54	57.4 Å²	57.4	21%	0.212	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	111.7	171.4	-162.6	-136	0	0	0	109.3	W25 S46 S48 Y49	W25-Y44 AromaticContact CD1-CD2 3.97Å; W25-Y44 AromaticContact CD2-CD2 3.79Å; W25-Y44 HydrophobicContact CD2-CD2 3.79Å; W25-Y44 HydrophobicContact CD2-CG 4.09Å; W25-Y44 AromaticContact CE2-CD2 3.79Å; W25-Y44 AromaticContact CE2-CG 3.93Å; W25-Y44 HydrophobicContact CE3-CD2 4.39Å; W25-Y44 HydrophobicContact CE3-CG 4.35Å; W25-Y44 AromaticContact CG-CD2 3.91Å; W25-Y44 HydrophobicContact CG-CD2 3.91Å; W25-Y44 HydrophobicContact CH2-CG 4.33Å; W25-Y44 HydrophobicContact CZ2-CD1 4.49Å; W25-Y44 HydrophobicContact CZ2-CD2 4.37Å; W25-Y44 HydrophobicContact CZ2-CG 4.05Å; W25-Y44 HydrophobicContact CZ3-CG 4.48Å; W25-Y44 AromaticContact NE1-CD2 3.89Å; Y44-S46 WeakPolarHBondContact CD1-OG 3.42Å; Y44-S46 WeakPolarHBondContact CE1-OG 3.37Å; Y44-S46 PolarHBondContact O-N 2.88Å; Y44-S46 VanDerWaalsContact O-N 3.15Å; Y44-S48 VanDerWaalsContact O-CA 3.23Å; Y44-S48 WeakPolarHBondContact O-CA 3.49Å; Y44-S48 PolarHBondContact O-N 2.9Å; Y44-Y49 PolarHBondContact N-O 3.47Å
45	P	95.6	Very high	95.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-16.8	-170	-21	33.2	0	0	0	114.5	F21 Y24 I26 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.84Å; F21-P45 HydrophobicContact CD1-CG 4.21Å; F21-P45 HydrophobicContact CD2-CG 4.24Å; F21-P45 HydrophobicContact CE1-CB 3.53Å; F21-P45 HydrophobicContact CE1-CG 3.83Å; F21-P45 HydrophobicContact CE2-CB 4.49Å; F21-P45 HydrophobicContact CE2-CG 3.89Å; F21-P45 HydrophobicContact CG-CB 4.45Å; F21-P45 HydrophobicContact CG-CG 4.42Å; F21-P45 HydrophobicContact CZ-CB 3.9Å; F21-P45 HydrophobicContact CZ-CG 3.66Å; Y24-P45 WeakPolarHBondContact O-CD 2.94Å; I26-P45 HydrophobicContact CG1-CG 3.81Å; I43-P45 WeakPolarHBondContact O-CD 3.29Å; P45-V64 HydrophobicContact CB-CB 4.4Å; P45-V64 HydrophobicContact CB-CG1 3.96Å; P45-V64 HydrophobicContact CG-CG1 4.09Å; P45-K66 WeakPolarHBondContact O-CE 3.27Å
46	S	94.5	Very high	95.2	Very high	46 Å²	46	55.8 Å²	55.8	32%	0.322	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-45	-179.7	63	0	0	0	0	113	T22 Y44 K66	T22-S46 WeakPolarHBondContact O-CB 3.2Å; Y44-S46 WeakPolarHBondContact CD1-OG 3.42Å; Y44-S46 WeakPolarHBondContact CE1-OG 3.37Å; Y44-S46 PolarHBondContact O-N 2.88Å; Y44-S46 VanDerWaalsContact O-N 3.15Å; S46-K66 WeakPolarHBondContact O-CE 3.43Å; S46-K66 PolarHBondContact O-NZ 2.76Å
47	D	95.1	Very high	95.2	Very high	102 Å²	102	58.6 Å²	58.6	55%	0.545	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	1.1	-175.6	59.6	11.2	0	0	0	113	Y49	D47-Y49 PolarHBondContact O-N 3.09Å; D47-Y49 VanDerWaalsContact OD1-CB 3.25Å; D47-Y49 WeakPolarHBondContact OD1-CB 3.45Å; D47-Y49 PolarHBondContact OD1-N 3.06Å
48	S	95.4	Very high	95.1	Very high	60 Å²	60	61.2 Å²	61.2	42%	0.42	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	20.8	-177.3	-54	0	0	0	0	113.5	Y44 T50	Y44-S48 VanDerWaalsContact O-CA 3.23Å; Y44-S48 WeakPolarHBondContact O-CA 3.49Å; Y44-S48 PolarHBondContact O-N 2.9Å; S48-T50 PolarHBondContact O-N 2.83Å
49	Y	95.9	Very high	94.9	Very high	139 Å²	139	62.1 Å²	62.1	55%	0.545	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	136.3	173.2	-179.1	-85.5	0	0	0	110	W25 I43 Y44 D47	W25-Y49 AromaticContact CH2-CD1 3.4Å; W25-Y49 HydrophobicContact CH2-CD1 3.4Å; W25-Y49 VanDerWaalsContact CH2-CD1 3.4Å; W25-Y49 AromaticContact CH2-CE1 3.93Å; W25-Y49 HydrophobicContact CH2-CE1 3.93Å; W25-Y49 HydrophobicContact CH2-CG 4.33Å; W25-Y49 AromaticContact CZ3-CD1 3.73Å; W25-Y49 HydrophobicContact CZ3-CD1 3.73Å; W25-Y49 HydrophobicContact CZ3-CE1 4.34Å; I43-Y49 CarbonylContact C-O 3.57Å; I43-Y49 VanDerWaalsContact CA-O 3.31Å; I43-Y49 WeakPolarHBondContact CA-O 2.97Å; Y44-Y49 PolarHBondContact N-O 3.47Å; D47-Y49 PolarHBondContact O-N 3.09Å; D47-Y49 VanDerWaalsContact OD1-CB 3.25Å; D47-Y49 WeakPolarHBondContact OD1-CB 3.45Å; D47-Y49 PolarHBondContact OD1-N 3.06Å
50	T	96.7	Very high	94.9	Very high	48 Å²	48	58.7 Å²	58.7	29%	0.294	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.1	-179.2	51.2	0	0	0	0	111.7	N42 I43 S48 Y52 L62	N42-T50 VanDerWaalsContact O-CA 3.29Å; N42-T50 WeakPolarHBondContact O-CA 3.26Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.64Å; I43-T50 HydrophobicContact CG1-CG2 3.75Å; S48-T50 PolarHBondContact O-N 2.83Å; T50-Y52 HydrophobicContact CG2-CE2 4.5Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.26Å; T50-L62 HydrophobicContact CG2-CB 4Å
51	S	95.8	Very high	94.9	Very high	44 Å²	44	61.8 Å²	61.8	31%	0.308	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.7	168.5	-174.4	0	0	0	0	109.5	G41 N42	G41-S51 CarbonylContact C-O 3.48Å; G41-S51 WeakPolarHBondContact CA-O 3.4Å; N42-S51 PolarHBondContact N-O 2.89Å; N42-S51 PolarHBondContact O-N 3.3Å; N42-S51 WeakPolarHBondContact OD1-CB 2.87Å
52	Y	97	Very high	95	Very high	55 Å²	55	62.2 Å²	62.2	22%	0.216	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	147.2	-174.6	-66.3	-90.1	0	0	0	111.1	T50 K57 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.5Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.26Å; Y52-K57 HydrophobicContact CG-CG 4.44Å; Y52-A60 WeakPolarHBondContact CE1-O 3.47Å; Y52-L62 HydrophobicContact CE1-CD1 4.07Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 3.09Å; Y52-L62 VanDerWaalsContact OH-N 3.09Å
53	N	95.6	Very high	95.1	Very high	45 Å²	45	63.6 Å²	63.6	24%	0.241	32%	0.322	C	S	.	.			trans	-70.9	135.3	157.6	-177.8	-28.2	0	0	0	108.7	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.75Å; W39-N53 HydrophobicContact CZ3-CB 3.92Å; W39-N53 VanDerWaalsContact CZ3-N 3.3Å; W39-N53 WeakPolarHBondContact O-CB 3.35Å; W39-N53 PolarHBondContact O-ND2 3.2Å; I40-N53 WeakPolarHBondContact O-CB 3.47Å; I40-N53 PolarHBondContact O-N 2.95Å; N53-K55 PolarHBondContact O-N 3.21Å; N53-K55 PolarHBondContact OD1-N 2.89Å; N53-K55 VanDerWaalsContact OD1-N 3.09Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 3.18Å; N53-K57 PolarHBondContact O-N 3.08Å; N53-K57 VanDerWaalsContact O-N 3.16Å
54	Q	94.5	Very high	95.2	Very high	136 Å²	136	64.9 Å²	64.9	64%	0.636	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-32.2	-177.6	-167.8	61.1	29.6	0	0	113	F56	Q54-F56 PolarHBondContact O-N 2.83Å
55	K	91.7	Very high	95.2	Very high	150 Å²	150	65 Å²	65	65%	0.652	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-25.7	176.8	-68.2	-177	179.4	-179.8	0	114.2	E38 N53	E38-K55 IonicContact OE2-NZ 2.83Å; E38-K55 PolarHBondContact OE2-NZ 2.96Å; N53-K55 PolarHBondContact O-N 3.21Å; N53-K55 PolarHBondContact OD1-N 2.89Å; N53-K55 VanDerWaalsContact OD1-N 3.09Å
56	F	93.1	Very high	95.2	Very high	9 Å²	9	70.1 Å²	70.1	4%	0.039	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-6.6	-171.7	-62.6	-82.9	0	0	0	113.6	K30 E38 I40 N53 Q54 D58 K59 A60	K30-F56 HydrophobicContact CD-CE1 4.03Å; K30-F56 HydrophobicContact CD-CZ 4.08Å; E38-F56 HydrophobicContact CB-CE2 4.39Å; E38-F56 HydrophobicContact CB-CZ 4.39Å; I40-F56 HydrophobicContact CB-CD2 4.36Å; I40-F56 HydrophobicContact CB-CG 4.3Å; I40-F56 HydrophobicContact CG1-CD1 4.26Å; I40-F56 HydrophobicContact CG1-CD2 4.27Å; I40-F56 HydrophobicContact CG1-CE1 4.27Å; I40-F56 HydrophobicContact CG1-CE2 4.28Å; I40-F56 HydrophobicContact CG1-CG 4.26Å; I40-F56 HydrophobicContact CG1-CZ 4.28Å; I40-F56 HydrophobicContact CG2-CB 3.77Å; I40-F56 HydrophobicContact CG2-CD1 4.29Å; I40-F56 HydrophobicContact CG2-CD2 4.45Å; I40-F56 HydrophobicContact CG2-CG 3.93Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 3.18Å; Q54-F56 PolarHBondContact O-N 2.83Å; F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 2.03Å; F56-K59 PolarHBondContact O-N 3.28Å; F56-A60 HydrophobicContact CB-CB 4.36Å; F56-A60 PolarHBondContact O-N 3.38Å
57	K	92.3	Very high	95.2	Very high	115 Å²	115	73.1 Å²	73.1	50%	0.5	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-38.9	-173.9	-171.8	176.5	-178.3	179.2	0	113.8	Y52 N53	Y52-K57 HydrophobicContact CG-CG 4.44Å; N53-K57 PolarHBondContact O-N 3.08Å; N53-K57 VanDerWaalsContact O-N 3.16Å
58	D	91.9	Very high	95.2	Very high	151 Å²	151	70.1 Å²	70.1	81%	0.807	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	0.4	-178.7	-55.8	-39.6	0	0	0	113.1	F56	F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 2.03Å
59	K	92.3	Very high	95.3	Very high	51 Å²	51	69.2 Å²	69.2	22%	0.222	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-34.8	-172.3	-163.9	172.7	-165.9	174.4	0	113.4	F56 L75 S76 D82	F56-K59 PolarHBondContact O-N 3.28Å; K59-L75 HydrophobicContact CG-CD2 4.46Å; K59-L75 WeakPolarHBondContact O-CA 3.28Å; K59-S76 PolarHBondContact O-N 2.81Å; K59-S76 VanDerWaalsContact O-N 3.08Å; K59-D82 VanDerWaalsContact CE-CG 3.49Å; K59-D82 WeakPolarHBondContact CE-OD1 3.35Å; K59-D82 WeakPolarHBondContact CE-OD2 3.32Å; K59-D82 IonicContact NZ-OD1 2.76Å; K59-D82 PolarHBondContact NZ-OD1 3Å; K59-D82 IonicContact NZ-OD2 3.3Å; K59-D82 PolarHBondContact NZ-OD2 2.83Å
60	A	95.4	Very high	95.3	Very high	3 Å²	3	63 Å²	63	3%	0.025	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.2	-177.3	0	0	0	0	0	110.7	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.75Å; Y52-A60 WeakPolarHBondContact CE1-O 3.47Å; F56-A60 HydrophobicContact CB-CB 4.36Å; F56-A60 PolarHBondContact O-N 3.38Å; A60-M73 HydrophobicContact CB-CG 4.27Å; A60-Q74 CarbonylContact C-O 3.58Å; A60-Q74 VanDerWaalsContact CA-O 3.3Å; A60-Q74 WeakPolarHBondContact CA-O 3.07Å; A60-L75 HydrophobicContact CB-CD2 3.92Å
61	T	97.2	Very high	95.4	Very high	65 Å²	65	60.7 Å²	60.7	40%	0.399	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.1	170.7	-55.2	0	0	0	0	109	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.25Å; T61-M73 CarbonylContact O-C 3.5Å; T61-M73 WeakPolarHBondContact O-CA 3.1Å; T61-Q74 PolarHBondContact N-O 2.65Å; T61-Q74 PolarHBondContact O-N 2.95Å
62	L	97.8	Very high	95.4	Very high	9 Å²	9	61.2 Å²	61.2	5%	0.047	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133	177	-53.3	-174.6	0	0	0	110.6	W28 N42 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.46Å; W28-L62 HydrophobicContact CG-CD2 4.05Å; N42-L62 WeakPolarHBondContact O-CD1 3.16Å; I43-L62 HydrophobicContact CB-CB 4.15Å; I43-L62 HydrophobicContact CB-CD1 4.41Å; I43-L62 HydrophobicContact CD1-CB 4.17Å; I43-L62 HydrophobicContact CG2-CB 4.46Å; T50-L62 HydrophobicContact CG2-CB 4Å; Y52-L62 HydrophobicContact CE1-CD1 4.07Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 3.09Å; Y52-L62 VanDerWaalsContact OH-N 3.09Å; L62-Y72 WeakPolarHBondContact CA-O 3.39Å; L62-M73 HydrophobicContact CD2-CB 3.72Å; L62-M73 HydrophobicContact CD2-CG 3.67Å
63	T	97.6	Very high	95.4	Very high	51 Å²	51	58.6 Å²	58.6	31%	0.313	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	160.7	178.4	56.6	0	0	0	0	111.1	T61 A71 Y72	T61-T63 HydrophobicContact CG2-CG2 4.25Å; T63-A71 CarbonylContact O-C 3.59Å; T63-A71 WeakPolarHBondContact O-CA 3.31Å; T63-Y72 PolarHBondContact N-O 3.07Å; T63-Y72 PolarHBondContact O-N 2.77Å
64	V	97.5	Very high	95.4	Very high	30 Å²	30	59.2 Å²	59.2	18%	0.182	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.2	176.3	-71.5	0	0	0	0	110.6	F21 I43 P45 T70 A71	F21-V64 HydrophobicContact CE1-CB 4.39Å; F21-V64 HydrophobicContact CE1-CG1 4.34Å; F21-V64 HydrophobicContact CZ-CG1 4.08Å; I43-V64 HydrophobicContact CD1-CB 4.44Å; I43-V64 HydrophobicContact CD1-CG1 3.73Å; I43-V64 HydrophobicContact CD1-CG2 4.2Å; I43-V64 HydrophobicContact CG1-CG1 3.9Å; I43-V64 HydrophobicContact CG2-CG1 3.92Å; P45-V64 HydrophobicContact CB-CB 4.4Å; P45-V64 HydrophobicContact CB-CG1 3.96Å; P45-V64 HydrophobicContact CG-CG1 4.09Å; V64-T70 WeakPolarHBondContact CA-O 3.21Å; V64-A71 HydrophobicContact CG1-CB 4.12Å
65	D	96.6	Very high	95.4	Very high	56 Å²	56	52.8 Å²	52.8	30%	0.299	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	104.9	163.9	174.3	9.1	0	0	0	108.4	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.2Å; D65-S67 WeakPolarHBondContact OD1-CB 3.39Å; D65-S67 PolarHBondContact OD1-N 2.88Å; D65-S67 PolarHBondContact OD1-OG 2.93Å; D65-S67 PolarHBondContact OD2-OG 2.86Å; D65-S68 PolarHBondContact OD1-N 2.89Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.49Å; D65-S68 PolarHBondContact OD2-OG 3.4Å; D65-S69 WeakPolarHBondContact O-CA 3.02Å; D65-S69 PolarHBondContact O-N 2.89Å; D65-T70 PolarHBondContact N-O 2.9Å; D65-T70 PolarHBondContact O-N 3.19Å; D65-Y72 HydrophobicContact CB-CE2 3.96Å
66	K	95.1	Very high	95.3	Very high	107 Å²	107	48 Å²	48	47%	0.465	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-32.1	-179.4	-67.8	170.6	173	173.9	0	112	T22 P45 S46 S69	T22-K66 HydrophobicContact CG2-CG 4.5Å; P45-K66 WeakPolarHBondContact O-CE 3.27Å; S46-K66 WeakPolarHBondContact O-CE 3.43Å; S46-K66 PolarHBondContact O-NZ 2.76Å; K66-S69 PolarHBondContact O-N 3.16Å
67	S	94.6	Very high	95.1	Very high	110 Å²	110	51.3 Å²	51.3	77%	0.769	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-38.5	-176.1	73.1	0	0	0	0	111.8	D65	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.2Å; D65-S67 WeakPolarHBondContact OD1-CB 3.39Å; D65-S67 PolarHBondContact OD1-N 2.88Å; D65-S67 PolarHBondContact OD1-OG 2.93Å; D65-S67 PolarHBondContact OD2-OG 2.86Å
68	S	96.2	Very high	95	Very high	38 Å²	38	45.9 Å²	45.9	27%	0.266	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-0.7	176.6	67.1	0	0	0	0	113.7	D65 T70	D65-S68 PolarHBondContact OD1-N 2.89Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.49Å; D65-S68 PolarHBondContact OD2-OG 3.4Å; S68-T70 VanDerWaalsContact C-N 3.27Å; S68-T70 PolarHBondContact O-N 3.38Å; S68-T70 PolarHBondContact O-OG1 3.06Å; S68-T70 WeakPolarHBondContact OG-CB 3.24Å; S68-T70 PolarHBondContact OG-OG1 3.29Å; S68-T70 VanDerWaalsContact OG-OG1 3.05Å
69	S	96.1	Very high	94.9	Very high	42 Å²	42	41.7 Å²	41.7	29%	0.294	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	45.1	-173	-62.5	0	0	0	0	112.8	A16 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.46Å; A16-S69 PolarHBondContact N-O 2.96Å; D65-S69 WeakPolarHBondContact O-CA 3.02Å; D65-S69 PolarHBondContact O-N 2.89Å; K66-S69 PolarHBondContact O-N 3.16Å
70	T	97.2	Very high	94.8	Very high	8 Å²	8	43 Å²	43	5%	0.049	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.4	-174.8	-51.8	0	0	0	0	110.8	C14 K15 V64 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.53Å; C14-T70 WeakPolarHBondContact O-CA 3.41Å; K15-T70 HydrophobicContact CB-CG2 4.44Å; V64-T70 WeakPolarHBondContact CA-O 3.21Å; D65-T70 PolarHBondContact N-O 2.9Å; D65-T70 PolarHBondContact O-N 3.19Å; S68-T70 VanDerWaalsContact C-N 3.27Å; S68-T70 PolarHBondContact O-N 3.38Å; S68-T70 PolarHBondContact O-OG1 3.06Å; S68-T70 WeakPolarHBondContact OG-CB 3.24Å; S68-T70 PolarHBondContact OG-OG1 3.29Å; S68-T70 VanDerWaalsContact OG-OG1 3.05Å; T70-Y72 HydrophobicContact CG2-CD1 4.34Å; T70-Y72 HydrophobicContact CG2-CD2 4.33Å; T70-Y72 HydrophobicContact CG2-CE1 3.74Å; T70-Y72 HydrophobicContact CG2-CE2 3.71Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.44Å
71	A	97.3	Very high	94.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	149.4	166.4	0	0	0	0	0	109.8	S13 C14 F21 I26 W28 I43 T63 V64	S13-A71 CarbonylContact C-O 3.58Å; S13-A71 WeakPolarHBondContact CA-O 3.45Å; C14-A71 HydrophobicContact CB-CB 4.4Å; C14-A71 PolarHBondContact N-O 3.13Å; C14-A71 PolarHBondContact O-N 3.12Å; F21-A71 HydrophobicContact CE2-CB 4.31Å; F21-A71 HydrophobicContact CZ-CB 3.97Å; I26-A71 HydrophobicContact CB-CB 4.15Å; I26-A71 HydrophobicContact CG1-CB 4.23Å; I26-A71 HydrophobicContact CG2-CB 3.76Å; W28-A71 HydrophobicContact CZ2-CB 4.36Å; I43-A71 HydrophobicContact CG2-CB 4.43Å; T63-A71 CarbonylContact O-C 3.59Å; T63-A71 WeakPolarHBondContact O-CA 3.31Å; V64-A71 HydrophobicContact CG1-CB 4.12Å
72	Y	97.3	Very high	94.2	Very high	55 Å²	55	46.3 Å²	46.3	22%	0.216	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	144.2	175.6	-54	-93.1	0	0	0	110.1	K11 P12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.37Å; K11-Y72 VanDerWaalsContact CE-CB 3.47Å; K11-Y72 HydrophobicContact CG-CD1 4.24Å; P12-Y72 WeakPolarHBondContact O-CA 3.27Å; S13-Y72 VanDerWaalsContact CB-CD1 3.45Å; S13-Y72 VanDerWaalsContact CB-CE1 3.42Å; L62-Y72 WeakPolarHBondContact CA-O 3.39Å; T63-Y72 PolarHBondContact N-O 3.07Å; T63-Y72 PolarHBondContact O-N 2.77Å; D65-Y72 HydrophobicContact CB-CE2 3.96Å; T70-Y72 HydrophobicContact CG2-CD1 4.34Å; T70-Y72 HydrophobicContact CG2-CD2 4.33Å; T70-Y72 HydrophobicContact CG2-CE1 3.74Å; T70-Y72 HydrophobicContact CG2-CE2 3.71Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.44Å
73	M	96.9	Very high	94.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.6	162.8	176.3	-161.5	66.8	0	0	106.7	K11 P12 W28 I40 A60 T61 L62 L75 Y86	K11-M73 CarbonylContact C-O 3.58Å; K11-M73 VanDerWaalsContact CA-O 3.31Å; K11-M73 WeakPolarHBondContact CA-O 3.28Å; P12-M73 HydrophobicContact CB-CE 4.3Å; P12-M73 WeakPolarHBondContact CD-O 3.08Å; P12-M73 HydrophobicContact CG-CE 3.76Å; P12-M73 PolarHBondContact O-N 2.87Å; P12-M73 VanDerWaalsContact O-N 3.07Å; W28-M73 HydrophobicContact CB-SD 4.28Å; W28-M73 HydrophobicContact CD2-CB 3.53Å; W28-M73 HydrophobicContact CD2-CG 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.4Å; W28-M73 HydrophobicContact CE3-CB 3.83Å; W28-M73 HydrophobicContact CE3-CE 4.42Å; W28-M73 HydrophobicContact CE3-SD 4.3Å; W28-M73 HydrophobicContact CG-CB 3.97Å; W28-M73 HydrophobicContact CG-CG 4.47Å; W28-M73 HydrophobicContact CG-SD 4.41Å; W28-M73 HydrophobicContact CH2-CB 4.18Å; W28-M73 HydrophobicContact CZ2-CB 3.93Å; W28-M73 HydrophobicContact CZ3-CB 4.14Å; I40-M73 HydrophobicContact CD1-SD 3.45Å; I40-M73 WeakPolarHBondContact CD1-SD 3.37Å; I40-M73 HydrophobicContact CG2-SD 4.17Å; A60-M73 HydrophobicContact CB-CG 4.27Å; T61-M73 CarbonylContact O-C 3.5Å; T61-M73 WeakPolarHBondContact O-CA 3.1Å; L62-M73 HydrophobicContact CD2-CB 3.72Å; L62-M73 HydrophobicContact CD2-CG 3.67Å; M73-L75 HydrophobicContact CE-CD1 3.78Å; M73-L75 HydrophobicContact CE-CD2 4.35Å; M73-L75 HydrophobicContact CE-CG 3.8Å; M73-L75 HydrophobicContact SD-CD2 4.22Å; M73-L75 HydrophobicContact SD-CG 4.28Å; M73-Y86 HydrophobicContact CE-CD1 3.44Å; M73-Y86 VanDerWaalsContact CE-CD1 3.44Å; M73-Y86 HydrophobicContact CE-CE1 3.82Å; M73-Y86 HydrophobicContact CE-CG 4.01Å; M73-Y86 HydrophobicContact SD-CD1 4.1Å; M73-Y86 HydrophobicContact SD-CE1 4.35Å
74	Q	95.6	Very high	94	Very high	58 Å²	58	45.2 Å²	45.2	27%	0.271	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.5	170.5	178.5	176	-19.6	0	0	108.7	V10 K11 A60 T61	V10-Q74 CarbonylContact O-C 3.57Å; V10-Q74 WeakPolarHBondContact O-CA 3.31Å; K11-Q74 HydrophobicContact CG-CB 4.26Å; A60-Q74 CarbonylContact C-O 3.58Å; A60-Q74 VanDerWaalsContact CA-O 3.3Å; A60-Q74 WeakPolarHBondContact CA-O 3.07Å; T61-Q74 PolarHBondContact N-O 2.65Å; T61-Q74 PolarHBondContact O-N 2.95Å
75	L	93.3	Very high	93.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	125.8	167.7	-63.2	165.1	0	0	0	108.6	S9 V10 K59 A60 M73 Y86	S9-L75 VanDerWaalsContact CA-O 3.3Å; S9-L75 WeakPolarHBondContact CA-O 3.45Å; V10-L75 HydrophobicContact CG1-CB 3.68Å; V10-L75 HydrophobicContact CG1-CD1 3.89Å; V10-L75 HydrophobicContact CG1-CG 4.24Å; V10-L75 PolarHBondContact N-O 2.88Å; V10-L75 VanDerWaalsContact N-O 3.15Å; V10-L75 PolarHBondContact O-N 2.91Å; K59-L75 HydrophobicContact CG-CD2 4.46Å; K59-L75 WeakPolarHBondContact O-CA 3.28Å; A60-L75 HydrophobicContact CB-CD2 3.92Å; M73-L75 HydrophobicContact CE-CD1 3.78Å; M73-L75 HydrophobicContact CE-CD2 4.35Å; M73-L75 HydrophobicContact CE-CG 3.8Å; M73-L75 HydrophobicContact SD-CD2 4.22Å; M73-L75 HydrophobicContact SD-CG 4.28Å; L75-Y86 HydrophobicContact CD1-CD1 4.48Å; L75-Y86 HydrophobicContact CD1-CE1 3.63Å; L75-Y86 HydrophobicContact CD1-CE2 4.17Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.44Å; L75-Y86 VanDerWaalsContact CD1-OH 3.25Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.46Å
76	S	90.4	Very high	93.9	Very high	51 Å²	51	43 Å²	43	36%	0.357	25%	0.254	S	S	.	.	S	Bend	trans	-95.3	133.7	178.1	-63.9	0	0	0	0	110	K59	K59-S76 PolarHBondContact O-N 2.81Å; K59-S76 VanDerWaalsContact O-N 3.08Å
77	S	88.6	Confident	94	Very high	78 Å²	78	40 Å²	40	55%	0.545	24%	0.239	S	C	.	.	S	Bend	trans	46.6	54.2	179.2	-56	0	0	0	0	114
78	P	89.9	Confident	94	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	21%	0.208	C	C	.	.			trans	-64.6	146.8	-179.7	33.8	-36	0	0	0	110.5	V4 T8 V10 D82 V109	V4-P78 HydrophobicContact CG1-CG 3.88Å; T8-P78 WeakPolarHBondContact O-CD 3.3Å; T8-P78 VanDerWaalsContact O-CG 3.26Å; T8-P78 WeakPolarHBondContact O-CG 3.47Å; V10-P78 HydrophobicContact CG1-CG 4.31Å; P78-D82 VanDerWaalsContact CA-OD2 3.23Å; P78-D82 WeakPolarHBondContact CA-OD2 3.44Å; P78-D82 HydrophobicContact CB-CB 4.02Å; P78-V109 HydrophobicContact CB-CG2 3.98Å; P78-V109 HydrophobicContact CG-CG2 4.19Å
79	T	90.9	Very high	93.9	Very high	62 Å²	62	33.9 Å²	33.9	38%	0.38	20%	0.196	S	C	.	.			trans	-109.2	173.3	178.2	64.5	0	0	0	0	110	E81 D82 V109	T79-E81 PolarHBondContact O-N 3.34Å; T79-E81 VanDerWaalsContact O-N 3.12Å; T79-D82 PolarHBondContact N-OD2 3.09Å; T79-D82 WeakPolarHBondContact O-CB 3.46Å; T79-D82 PolarHBondContact O-N 2.94Å; T79-V109 WeakPolarHBondContact O-CB 3.41Å; T79-V109 WeakPolarHBondContact O-CG2 3.43Å
80	S	89.9	Confident	93.6	Very high	79 Å²	79	33.9 Å²	33.9	55%	0.552	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-54.2	-31.7	176.2	53.2	0	0	0	0	113	D82 S83	S80-D82 PolarHBondContact O-N 3.15Å; S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 3.31Å; S80-S83 PolarHBondContact O-N 2.88Å; S80-S83 PolarHBondContact O-OG 2.83Å
81	E	88.8	Confident	93.2	Very high	134 Å²	134	35.1 Å²	35.1	63%	0.626	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-67.4	-12.5	175.8	-59.9	-176.7	172.2	0	0	114.3	K30 R32 T79	K30-E81 PolarHBondContact NZ-O 3.43Å; R32-E81 PolarHBondContact NE-O 3.15Å; R32-E81 PolarHBondContact NH2-O 2.83Å; R32-E81 VanDerWaalsContact NH2-O 3.13Å; T79-E81 PolarHBondContact O-N 3.34Å; T79-E81 VanDerWaalsContact O-N 3.12Å
82	D	91.6	Very high	92.5	Very high	3 Å²	3	41 Å²	41	2%	0.016	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-86.9	-7.2	172.4	-60.2	-50.9	0	0	0	113.8	K30 K59 P78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.31Å; K30-D82 PolarHBondContact NZ-OD1 2.87Å; K59-D82 VanDerWaalsContact CE-CG 3.49Å; K59-D82 WeakPolarHBondContact CE-OD1 3.35Å; K59-D82 WeakPolarHBondContact CE-OD2 3.32Å; K59-D82 IonicContact NZ-OD1 2.76Å; K59-D82 PolarHBondContact NZ-OD1 3Å; K59-D82 IonicContact NZ-OD2 3.3Å; K59-D82 PolarHBondContact NZ-OD2 2.83Å; P78-D82 VanDerWaalsContact CA-OD2 3.23Å; P78-D82 WeakPolarHBondContact CA-OD2 3.44Å; P78-D82 HydrophobicContact CB-CB 4.02Å; T79-D82 PolarHBondContact N-OD2 3.09Å; T79-D82 WeakPolarHBondContact O-CB 3.46Å; T79-D82 PolarHBondContact O-N 2.94Å; S80-D82 PolarHBondContact O-N 3.15Å; D82-A84 PolarHBondContact O-N 3.08Å; D82-Y86 WeakPolarHBondContact O-CE2 3.43Å; D82-Y86 PolarHBondContact O-OH 3.03Å
83	S	93.8	Very high	91.2	Very high	33 Å²	33	39.3 Å²	39.3	23%	0.231	22%	0.219	C	C	.	.			trans	-61.3	114.3	174.5	-56.2	0	0	0	0	110.2	S80 V107 V109	S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 3.31Å; S80-S83 PolarHBondContact O-N 2.88Å; S80-S83 PolarHBondContact O-OG 2.83Å; S83-V107 CarbonylContact C-O 3.6Å; S83-V107 VanDerWaalsContact CA-O 3.26Å; S83-V107 WeakPolarHBondContact CA-O 3.31Å; S83-V109 PolarHBondContact OG-N 2.96Å
84	A	95.7	Very high	89.6	Confident	5 Å²	5	46.8 Å²	46.8	4%	0.041	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	170.2	-169.7	0	0	0	0	0	110.7	K30 Q31 R32 D82 Y86 V107	K30-A84 HydrophobicContact CD-CB 4.17Å; K30-A84 HydrophobicContact CG-CB 3.51Å; Q31-A84 WeakPolarHBondContact O-CA 2.93Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.23Å; R32-A84 HydrophobicContact CG-CB 4.24Å; D82-A84 PolarHBondContact O-N 3.08Å; A84-Y86 HydrophobicContact CB-CD2 4.37Å; A84-Y86 HydrophobicContact CB-CE2 3.84Å; A84-V107 PolarHBondContact N-O 2.63Å; A84-V107 PolarHBondContact O-N 2.6Å
85	V	96.6	Very high	88.2	Confident	38 Å²	38	52 Å²	52	23%	0.23	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	128.8	162.1	-169.7	0	0	0	0	108.7	Q31 Y87	Q31-V85 PolarHBondContact N-O 2.87Å; Q31-V85 PolarHBondContact O-N 2.88Å; V85-Y87 HydrophobicContact CB-CE2 3.71Å; V85-Y87 HydrophobicContact CG1-CD2 4.27Å; V85-Y87 HydrophobicContact CG1-CE1 3.86Å; V85-Y87 HydrophobicContact CG1-CE2 3.57Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.2Å
86	Y	96.6	Very high	86.5	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.008	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.9	178.9	-71	-91	0	0	0	109.9	V29 K30 I40 M73 L75 D82 A84 G104 T105 V107	V29-Y86 CarbonylContact O-C 3.41Å; V29-Y86 WeakPolarHBondContact O-CA 3.29Å; K30-Y86 HydrophobicContact CB-CD1 4.32Å; K30-Y86 HydrophobicContact CB-CE1 4.05Å; K30-Y86 HydrophobicContact CD-CE1 4.14Å; K30-Y86 HydrophobicContact CG-CD1 4.45Å; K30-Y86 HydrophobicContact CG-CE1 3.89Å; I40-Y86 HydrophobicContact CD1-CD1 3.71Å; I40-Y86 HydrophobicContact CD1-CE1 3.7Å; M73-Y86 HydrophobicContact CE-CD1 3.44Å; M73-Y86 VanDerWaalsContact CE-CD1 3.44Å; M73-Y86 HydrophobicContact CE-CE1 3.82Å; M73-Y86 HydrophobicContact CE-CG 4.01Å; M73-Y86 HydrophobicContact SD-CD1 4.1Å; M73-Y86 HydrophobicContact SD-CE1 4.35Å; L75-Y86 HydrophobicContact CD1-CD1 4.48Å; L75-Y86 HydrophobicContact CD1-CE1 3.63Å; L75-Y86 HydrophobicContact CD1-CE2 4.17Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.44Å; L75-Y86 VanDerWaalsContact CD1-OH 3.25Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.46Å; D82-Y86 WeakPolarHBondContact O-CE2 3.43Å; D82-Y86 PolarHBondContact O-OH 3.03Å; A84-Y86 HydrophobicContact CB-CD2 4.37Å; A84-Y86 HydrophobicContact CB-CE2 3.84Å; Y86-G104 CarbonylContact O-C 3.57Å; Y86-G104 VanDerWaalsContact O-CA 3.27Å; Y86-G104 WeakPolarHBondContact O-CA 3.23Å; Y86-T105 PolarHBondContact N-O 3.46Å; Y86-T105 PolarHBondContact O-N 3.05Å; Y86-V107 HydrophobicContact CD2-CB 3.88Å; Y86-V107 HydrophobicContact CD2-CG2 3.68Å; Y86-V107 HydrophobicContact CE2-CB 3.79Å; Y86-V107 HydrophobicContact CE2-CG1 4.43Å; Y86-V107 HydrophobicContact CE2-CG2 4.01Å
87	Y	96.3	Very high	85.3	Confident	42 Å²	42	61.1 Å²	61.1	17%	0.165	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	146.6	180	-59.8	-85.5	0	0	0	110.1	W28 V29 Q31 V85 W101 G102 G104	W28-Y87 WeakPolarHBondContact CA-O 3.2Å; V29-Y87 PolarHBondContact N-O 2.89Å; V29-Y87 PolarHBondContact O-N 2.97Å; Q31-Y87 HydrophobicContact CB-CD2 4.31Å; Q31-Y87 HydrophobicContact CB-CE2 3.72Å; Q31-Y87 PolarHBondContact OE1-OH 2.86Å; V85-Y87 HydrophobicContact CB-CE2 3.71Å; V85-Y87 HydrophobicContact CG1-CD2 4.27Å; V85-Y87 HydrophobicContact CG1-CE1 3.86Å; V85-Y87 HydrophobicContact CG1-CE2 3.57Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.2Å; Y87-W101 HydrophobicContact CD1-CE3 4.21Å; Y87-W101 HydrophobicContact CD2-CZ3 4.33Å; Y87-W101 AromaticContact CG-CE3 3.91Å; Y87-W101 HydrophobicContact CG-CE3 3.91Å; Y87-W101 HydrophobicContact CG-CZ3 4.07Å; Y87-G102 WeakPolarHBondContact CD1-O 3.03Å; Y87-G104 VanDerWaalsContact CD1-CA 3.46Å
88	C	95.3	Very high	84.5	Confident	17 Å²	17	60.2 Å²	60.2	12%	0.115	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	147.1	159.4	66.6	0	0	0	0	109.9	C14 I26 N27 W28 G102	C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.19Å; C14-C88 WeakPolarHBondContact SG-CB 3.37Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.05Å; I26-C88 HydrophobicContact CG2-CB 4.31Å; N27-C88 CarbonylContact O-C 3.59Å; N27-C88 WeakPolarHBondContact O-CA 3.3Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.26Å; W28-C88 HydrophobicContact CH2-CB 4.35Å; W28-C88 HydrophobicContact CZ3-CB 4.2Å; C88-G102 PolarHBondContact O-N 3.15Å
89	T	93.9	Very high	83.6	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.018	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	157	173.7	82.2	0	0	0	0	109.6	I26 N27 V29 M98 Y100 W101	I26-T89 CarbonylContact C-O 3.38Å; I26-T89 WeakPolarHBondContact CA-O 3.45Å; N27-T89 WeakPolarHBondContact CB-OG1 3.46Å; N27-T89 PolarHBondContact N-O 3.01Å; N27-T89 PolarHBondContact O-N 2.8Å; V29-T89 HydrophobicContact CG2-CG2 4.42Å; T89-M98 HydrophobicContact CG2-SD 4.07Å; T89-M98 WeakPolarHBondContact OG1-CG 3.37Å; T89-M98 PolarHBondContact OG1-SD 3.26Å; T89-Y100 WeakPolarHBondContact CA-O 3.47Å; T89-Y100 VanDerWaalsContact CB-O 3.26Å; T89-Y100 WeakPolarHBondContact CB-O 2.85Å; T89-W101 HydrophobicContact CG2-CD2 3.32Å; T89-W101 VanDerWaalsContact CG2-CE2 3.43Å; T89-W101 HydrophobicContact CG2-CE3 3.55Å; T89-W101 HydrophobicContact CG2-CG 3.79Å; T89-W101 HydrophobicContact CG2-CH2 3.93Å; T89-W101 HydrophobicContact CG2-CZ2 3.75Å; T89-W101 HydrophobicContact CG2-CZ3 3.85Å
90	K	90.7	Very high	83.3	Confident	42 Å²	42	71.1 Å²	71.1	18%	0.183	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	146.5	172.5	75.8	179.5	-178	166	0	111.1	Y19 Y24 W25 I26 Y100	Y19-K90 HydrophobicContact CD1-CD 3.92Å; Y19-K90 VanDerWaalsContact CD1-NZ 3.26Å; Y19-K90 HydrophobicContact CD2-CD 4.12Å; Y19-K90 HydrophobicContact CE1-CD 3.6Å; Y19-K90 HydrophobicContact CE2-CD 3.8Å; Y19-K90 HydrophobicContact CG-CD 4.18Å; Y24-K90 HydrophobicContact CD1-CB 4.26Å; Y24-K90 HydrophobicContact CD1-CD 4.03Å; Y24-K90 HydrophobicContact CD1-CG 4.14Å; Y24-K90 HydrophobicContact CE1-CD 4.27Å; W25-K90 CarbonylContact O-C 3.55Å; W25-K90 VanDerWaalsContact O-CA 3.28Å; W25-K90 WeakPolarHBondContact O-CA 3.5Å; I26-K90 HydrophobicContact CD1-CB 4.23Å; K90-Y100 PolarHBondContact N-O 3.27Å
91	M	87.1	Confident	83.3	Confident	34 Å²	34	71.6 Å²	71.6	17%	0.167	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	130.7	177.3	-177.1	-176.3	88	0	0	109.2	Y24 W25 G93 Y95	Y24-M91 CarbonylContact C-O 3.53Å; Y24-M91 VanDerWaalsContact CA-O 3.29Å; Y24-M91 WeakPolarHBondContact CA-O 3.41Å; W25-M91 HydrophobicContact CB-CB 4.28Å; W25-M91 HydrophobicContact CB-CE 4.22Å; W25-M91 HydrophobicContact CG-CE 4.04Å; W25-M91 PolarHBondContact N-O 3.5Å; W25-M91 PolarHBondContact O-N 3.11Å; M91-G93 WeakPolarHBondContact CE-O 3.5Å; M91-Y95 WeakPolarHBondContact CG-O 3.27Å
92	Y	82.9	Confident	83.5	Confident	124 Å²	124	66.5 Å²	66.5	49%	0.486	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	119.7	-178.9	-172.2	-112.1	0	0	0	110.1	Y24 N94 Y95	Y24-Y92 HydrophobicContact CD1-CD2 4.06Å; Y24-Y92 HydrophobicContact CD1-CG 4.5Å; Y24-Y92 HydrophobicContact CD2-CD2 4.31Å; Y24-Y92 AromaticContact CE1-CD2 3.59Å; Y24-Y92 HydrophobicContact CE1-CD2 3.59Å; Y24-Y92 HydrophobicContact CE1-CG 4.04Å; Y24-Y92 AromaticContact CE2-CD2 3.85Å; Y24-Y92 HydrophobicContact CE2-CD2 3.85Å; Y24-Y92 HydrophobicContact CE2-CE2 4.31Å; Y24-Y92 HydrophobicContact CG-CD2 4.4Å; Y24-Y92 AromaticContact CZ-CD2 3.45Å; Y24-Y92 VanDerWaalsContact CZ-CD2 3.45Å; Y92-N94 PolarHBondContact O-N 2.8Å; Y92-Y95 AromaticContact CD1-CD2 3.66Å; Y92-Y95 HydrophobicContact CD1-CD2 3.66Å; Y92-Y95 AromaticContact CD1-CE2 3.78Å; Y92-Y95 HydrophobicContact CD1-CE2 3.78Å; Y92-Y95 HydrophobicContact CE1-CD2 4.36Å; Y92-Y95 HydrophobicContact CE1-CE2 4.02Å; Y92-Y95 WeakPolarHBondContact O-CB 3.41Å; Y92-Y95 WeakPolarHBondContact O-CD2 3.36Å; Y92-Y95 PolarHBondContact O-N 2.87Å; Y92-Y95 VanDerWaalsContact O-N 3.15Å
93	G	70.8	Confident	83.5	Confident	20 Å²	20	75.2 Å²	75.2	21%	0.206	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	-133	174.3	0	0	0	0	0	114.9	W25 M91	W25-G93 PolarHBondContact NE1-O 3.15Å; M91-G93 WeakPolarHBondContact CE-O 3.5Å
94	N	63.1	Low	83.5	Confident	156 Å²	156	75 Å²	75	83%	0.834	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	11.1	178.3	-64.1	-22.2	0	0	0	113.5	Y92	Y92-N94 PolarHBondContact O-N 2.8Å
95	Y	66.1	Low	83.5	Confident	169 Å²	169	76.9 Å²	76.9	66%	0.663	38%	0.383	S	S	*	.			trans	-80.1	143.5	-179.7	-62	-81.1	0	0	0	110.5	M91 Y92 A97	M91-Y95 WeakPolarHBondContact CG-O 3.27Å; Y92-Y95 AromaticContact CD1-CD2 3.66Å; Y92-Y95 HydrophobicContact CD1-CD2 3.66Å; Y92-Y95 AromaticContact CD1-CE2 3.78Å; Y92-Y95 HydrophobicContact CD1-CE2 3.78Å; Y92-Y95 HydrophobicContact CE1-CD2 4.36Å; Y92-Y95 HydrophobicContact CE1-CE2 4.02Å; Y92-Y95 WeakPolarHBondContact O-CB 3.41Å; Y92-Y95 WeakPolarHBondContact O-CD2 3.36Å; Y92-Y95 PolarHBondContact O-N 2.87Å; Y92-Y95 VanDerWaalsContact O-N 3.15Å; Y95-A97 PolarHBondContact O-N 2.88Å
96	E	58.6	Low	83.4	Confident	193 Å²	193	77.3 Å²	77.3	90%	0.902	39%	0.388	S	S	*	.			trans	-81.9	-6	-161.9	-61.6	-172.3	161.2	0	0	115.9
97	A	63.8	Low	83.2	Confident	48 Å²	48	77.2 Å²	77.2	40%	0.397	39%	0.388	S	S	.	.			trans	-100.8	124.4	-169.9	0	0	0	0	0	113.3	Y95 D99	Y95-A97 PolarHBondContact O-N 2.88Å; A97-D99 VanDerWaalsContact C-N 3.26Å; A97-D99 WeakPolarHBondContact CB-OD1 3.29Å; A97-D99 PolarHBondContact O-N 3.45Å; A97-D99 VanDerWaalsContact O-N 3.09Å
98	M	71.3	Confident	83.1	Confident	59 Å²	59	78.4 Å²	78.4	29%	0.291	40%	0.399	S	S	.	.			trans	-81	72	168.2	-67.4	-171.8	178.4	0	0	109.7	N27 T89 Y100 W101	N27-M98 HydrophobicContact CB-CE 3.69Å; N27-M98 HydrophobicContact CB-SD 4.44Å; N27-M98 WeakPolarHBondContact OD1-CE 2.89Å; T89-M98 HydrophobicContact CG2-SD 4.07Å; T89-M98 WeakPolarHBondContact OG1-CG 3.37Å; T89-M98 PolarHBondContact OG1-SD 3.26Å; M98-Y100 PolarHBondContact O-N 2.97Å; M98-W101 PolarHBondContact O-NE1 3.4Å; M98-W101 HydrophobicContact SD-CZ2 4.16Å
99	D	71.2	Confident	82.8	Confident	134 Å²	134	77.9 Å²	77.9	72%	0.717	40%	0.395	S	S	*	.			trans	-68.2	-17.2	-168.4	-63.8	-33.9	0	0	0	114.4	A97	A97-D99 VanDerWaalsContact C-N 3.26Å; A97-D99 WeakPolarHBondContact CB-OD1 3.29Å; A97-D99 PolarHBondContact O-N 3.45Å; A97-D99 VanDerWaalsContact O-N 3.09Å
100	Y	84.5	Confident	82.2	Confident	158 Å²	158	80.3 Å²	80.3	62%	0.62	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.7	131.7	-176.7	-148.9	-89.4	0	0	0	112.4	T89 K90 M98	T89-Y100 WeakPolarHBondContact CA-O 3.47Å; T89-Y100 VanDerWaalsContact CB-O 3.26Å; T89-Y100 WeakPolarHBondContact CB-O 2.85Å; K90-Y100 PolarHBondContact N-O 3.27Å; M98-Y100 PolarHBondContact O-N 2.97Å
101	W	91.6	Very high	81.1	Confident	90 Å²	90	86.1 Å²	86.1	34%	0.341	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	137	179.6	-70	64.7	0	0	0	110.1	V29 L37 Y87 T89 M98	V29-W101 HydrophobicContact CB-CH2 4.14Å; V29-W101 HydrophobicContact CB-CZ3 3.99Å; V29-W101 HydrophobicContact CG1-CH2 3.98Å; V29-W101 HydrophobicContact CG1-CZ3 4.04Å; V29-W101 HydrophobicContact CG2-CH2 3.93Å; V29-W101 HydrophobicContact CG2-CZ3 4.17Å; L37-W101 HydrophobicContact CD1-CH2 3.74Å; L37-W101 HydrophobicContact CD1-CZ2 4.36Å; L37-W101 HydrophobicContact CD1-CZ3 4.32Å; L37-W101 HydrophobicContact CD2-CH2 4.21Å; L37-W101 HydrophobicContact CD2-CZ3 4.07Å; L37-W101 HydrophobicContact CG-CH2 4.5Å; Y87-W101 HydrophobicContact CD1-CE3 4.21Å; Y87-W101 HydrophobicContact CD2-CZ3 4.33Å; Y87-W101 AromaticContact CG-CE3 3.91Å; Y87-W101 HydrophobicContact CG-CE3 3.91Å; Y87-W101 HydrophobicContact CG-CZ3 4.07Å; T89-W101 HydrophobicContact CG2-CD2 3.32Å; T89-W101 VanDerWaalsContact CG2-CE2 3.43Å; T89-W101 HydrophobicContact CG2-CE3 3.55Å; T89-W101 HydrophobicContact CG2-CG 3.79Å; T89-W101 HydrophobicContact CG2-CH2 3.93Å; T89-W101 HydrophobicContact CG2-CZ2 3.75Å; T89-W101 HydrophobicContact CG2-CZ3 3.85Å; M98-W101 PolarHBondContact O-NE1 3.4Å; M98-W101 HydrophobicContact SD-CZ2 4.16Å
102	G	91.8	Very high	80.8	Confident	26 Å²	26	88.7 Å²	88.7	27%	0.268	47%	0.473	S	S	.	.			trans	-66	162.8	165.6	0	0	0	0	0	111.2	Y87 C88 G104	Y87-G102 WeakPolarHBondContact CD1-O 3.03Å; C88-G102 PolarHBondContact O-N 3.15Å; G102-G104 PolarHBondContact O-N 3.31Å
103	Q	92.8	Very high	80.7	Confident	187 Å²	187	86.8 Å²	86.8	87%	0.874	47%	0.472	S	S	*	.			trans	-63	-15.6	178.7	-65.2	-62.1	-44.6	0	0	113.7
104	G	93.3	Very high	81.2	Confident	29 Å²	29	90.6 Å²	90.6	30%	0.299	49%	0.487	S	S	.	.			trans	84.3	147.8	-178.4	0	0	0	0	0	112.7	Y86 Y87 G102	Y86-G104 CarbonylContact O-C 3.57Å; Y86-G104 VanDerWaalsContact O-CA 3.27Å; Y86-G104 WeakPolarHBondContact O-CA 3.23Å; Y87-G104 VanDerWaalsContact CD1-CA 3.46Å; G102-G104 PolarHBondContact O-N 3.31Å
105	T	94.8	Very high	82.3	Confident	43 Å²	43	86.7 Å²	86.7	26%	0.264	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	113.7	175.4	-62.5	0	0	0	0	108.6	Y86 V107	Y86-T105 PolarHBondContact N-O 3.46Å; Y86-T105 PolarHBondContact O-N 3.05Å; T105-V107 HydrophobicContact CG2-CG2 4.36Å; T105-V107 PolarHBondContact O-N 3.43Å
106	S	94.8	Very high	83.3	Confident	47 Å²	47	81.6 Å²	81.6	33%	0.329	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	123.3	170.1	-173	0	0	0	0	109.5	A1 E2	A1-S106 CarbonylContact C-O 3.59Å; A1-S106 WeakPolarHBondContact CA-O 3.25Å; E2-S106 PolarHBondContact N-O 3.45Å
107	V	93.3	Very high	85	Confident	1 Å²	1	74.1 Å²	74.1	1%	0.006	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.6	171.5	173.9	0	0	0	0	107.5	E2 V4 V10 P12 S83 A84 Y86 T105 V109	E2-V107 WeakPolarHBondContact O-CA 3.36Å; V4-V107 HydrophobicContact CG2-CG1 4.04Å; V10-V107 HydrophobicContact CG1-CG1 4.26Å; V10-V107 HydrophobicContact CG2-CG1 4.1Å; V10-V107 HydrophobicContact CG2-CG2 4.01Å; P12-V107 HydrophobicContact CG-CG2 4.27Å; S83-V107 CarbonylContact C-O 3.6Å; S83-V107 VanDerWaalsContact CA-O 3.26Å; S83-V107 WeakPolarHBondContact CA-O 3.31Å; A84-V107 PolarHBondContact N-O 2.63Å; A84-V107 PolarHBondContact O-N 2.6Å; Y86-V107 HydrophobicContact CD2-CB 3.88Å; Y86-V107 HydrophobicContact CD2-CG2 3.68Å; Y86-V107 HydrophobicContact CE2-CB 3.79Å; Y86-V107 HydrophobicContact CE2-CG1 4.43Å; Y86-V107 HydrophobicContact CE2-CG2 4.01Å; T105-V107 HydrophobicContact CG2-CG2 4.36Å; T105-V107 PolarHBondContact O-N 3.43Å; V107-V109 HydrophobicContact CG1-CG2 4.35Å
108	T	93.1	Very high	86.5	Confident	66 Å²	66	76 Å²	76	41%	0.405	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.3	177.3	-56.8	0	0	0	0	108.9	E2 L3 V4	E2-T108 PolarHBondContact O-N 3.23Å; L3-T108 HydrophobicContact CD1-CG2 4.22Å; V4-T108 PolarHBondContact N-O 3.3Å
109	V	88.5	Confident	87.6	Confident	6 Å²	6	77.3 Å²	77.3	4%	0.036	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	107.1	176.8	-172.9	0	0	0	0	108.3	V4 P6 P78 T79 S83 V107	V4-V109 HydrophobicContact CB-CG2 4.35Å; V4-V109 WeakPolarHBondContact O-CA 3.47Å; P6-V109 HydrophobicContact CB-CG1 4.41Å; P6-V109 HydrophobicContact CG-CG1 4.21Å; P78-V109 HydrophobicContact CB-CG2 3.98Å; P78-V109 HydrophobicContact CG-CG2 4.19Å; T79-V109 WeakPolarHBondContact O-CB 3.41Å; T79-V109 WeakPolarHBondContact O-CG2 3.43Å; S83-V109 PolarHBondContact OG-N 2.96Å; V107-V109 HydrophobicContact CG1-CG2 4.35Å
110	S	82.8	Confident	89	Confident	55 Å²	55	72.6 Å²	72.6	39%	0.385	41%	0.414	S	S	.	.			trans	-86.7	133.1	179	57.6	0	0	0	0	110.5	V4 P6	V4-S110 PolarHBondContact O-N 2.74Å; P6-S110 WeakPolarHBondContact CD-O 2.76Å; P6-S110 WeakPolarHBondContact CG-O 3.45Å
111	S	67.1	Low	89.4	Confident	163 Å²	163	64.8 Å²	64.8	100%	1.14	40%	0.395	S	S	*	.			trans	-61.2	0	172.2	56.1	0	0	0	0	113.3

Retrieved 111 of 111 residues in 27.3 ms (Link to these results)

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