X5J4T1_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4T1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 104 aa.

						>X5J4T1_MOUSE|X5J4T1
PGLVKPSQTVSLTCTVTGYSITNGNHWWNWIRQVSGSKLEWIGYISSSGSTDSNPSLKSRISITRDTSKNQLFLQLNSVTTEDIATYYCARGDFRTARAFAYWG
					

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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	50.9	Low	70.2	Confident	180 Å²	180	101.8 Å²	101.8	100%	1.169	62%	0.619	S	S	*	*				0	120.7	0	-2.2	23.7	0	0	0	110.1
2	G	60.1	Low	72.2	Confident	67 Å²	67	96.8 Å²	96.8	69%	0.691	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-82.7	155.8	-175.4	0	0	0	0	0	113.2	V4	G2-V4 WeakPolarHBondContact O-CG2 3.32Å; G2-V4 PolarHBondContact O-N 3.28Å
3	L	55.8	Low	73.9	Confident	188 Å²	188	95 Å²	95	98%	0.984	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-65.2	117.5	175.2	-152.3	85.4	0	0	0	109.4
4	V	58.6	Low	75.3	Confident	66 Å²	66	89.6 Å²	89.6	40%	0.4	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-101.9	143.1	-179	-168	0	0	0	0	109.8	G2 Q8 V10	G2-V4 WeakPolarHBondContact O-CG2 3.32Å; G2-V4 PolarHBondContact O-N 3.28Å; V4-Q8 HydrophobicContact CG1-CB 3.82Å; V4-Q8 HydrophobicContact CG1-CG 4.42Å; V4-V10 HydrophobicContact CB-CG2 3.97Å; V4-V10 HydrophobicContact CG1-CG2 3.56Å; V4-V10 HydrophobicContact CG2-CG2 3.73Å
5	K	63.7	Low	76.5	Confident	156 Å²	156	88.7 Å²	88.7	68%	0.678	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-75.3	146.7	174.7	-66.6	-178.8	-179.7	-179.8	0	110.3	Q8	K5-Q8 HydrophobicContact CB-CG 4.43Å; K5-Q8 VanDerWaalsContact N-OE1 3.15Å; K5-Q8 WeakPolarHBondContact O-CG 3.37Å; K5-Q8 PolarHBondContact O-N 3.26Å
6	P	63.3	Low	77.3	Confident	88 Å²	88	84.3 Å²	84.3	57%	0.571	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	150.2	173.7	-23.7	33.2	0	0	0	112.2	Q8 V79	P6-Q8 VanDerWaalsContact C-N 3.27Å; P6-Q8 PolarHBondContact O-N 3.16Å; P6-V79 WeakPolarHBondContact CA-O 3.49Å
7	S	68.9	Low	78	Confident	103 Å²	103	86.2 Å²	86.2	72%	0.72	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	10.1	-179.3	-49.5	0	0	0	0	116.3	V79	S7-V79 PolarHBondContact N-O 2.88Å
8	Q	81.4	Confident	78.4	Confident	92 Å²	92	86.6 Å²	86.6	43%	0.43	55%	0.548	S	S	.	.			trans	-90.4	156.1	169.7	-64	-172.8	-56.4	0	0	111	V4 K5 P6 V79	V4-Q8 HydrophobicContact CG1-CB 3.82Å; V4-Q8 HydrophobicContact CG1-CG 4.42Å; K5-Q8 HydrophobicContact CB-CG 4.43Å; K5-Q8 VanDerWaalsContact N-OE1 3.15Å; K5-Q8 WeakPolarHBondContact O-CG 3.37Å; K5-Q8 PolarHBondContact O-N 3.26Å; P6-Q8 VanDerWaalsContact C-N 3.27Å; P6-Q8 PolarHBondContact O-N 3.16Å; Q8-V79 WeakPolarHBondContact O-CG2 3.46Å; Q8-V79 PolarHBondContact O-N 2.91Å
9	T	87.7	Confident	78.7	Confident	78 Å²	78	84.6 Å²	84.6	48%	0.479	53%	0.529	S	S	.	.			trans	-84.8	131.5	165.9	-68.4	0	0	0	0	109.1	Q75 L76 N77	T9-Q75 HydrophobicContact CG2-CG 3.6Å; T9-Q75 VanDerWaalsContact CG2-NE2 3.33Å; T9-L76 CarbonylContact C-O 3.53Å; T9-L76 VanDerWaalsContact CA-O 3.26Å; T9-L76 WeakPolarHBondContact CA-O 3.39Å; T9-N77 WeakPolarHBondContact CG2-OD1 3.22Å; T9-N77 PolarHBondContact OG1-OD1 3.29Å
10	V	90.2	Very high	79.2	Confident	30 Å²	30	82.8 Å²	82.8	18%	0.182	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	137.8	175.4	178.5	0	0	0	0	109	V4 L12 Q75 L76 V79	V4-V10 HydrophobicContact CB-CG2 3.97Å; V4-V10 HydrophobicContact CG1-CG2 3.56Å; V4-V10 HydrophobicContact CG2-CG2 3.73Å; V10-L12 HydrophobicContact CG1-CD2 4.19Å; V10-L12 HydrophobicContact CG1-CG 4.37Å; V10-Q75 CarbonylContact O-C 3.55Å; V10-Q75 WeakPolarHBondContact O-CA 3.26Å; V10-L76 PolarHBondContact N-O 2.79Å; V10-L76 PolarHBondContact O-N 3.06Å; V10-V79 HydrophobicContact CB-CG2 4.17Å; V10-V79 HydrophobicContact CG2-CG2 3.83Å
11	S	92	Very high	79.6	Confident	72 Å²	72	78.9 Å²	78.9	50%	0.503	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	120.1	170	-174.1	0	0	0	0	109.3
12	L	93.3	Very high	81.5	Confident	41 Å²	41	73.2 Å²	73.2	22%	0.215	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	137.9	172.9	-61.6	172.1	0	0	0	108.6	V10 W30 F73 L74 Y87	V10-L12 HydrophobicContact CG1-CD2 4.19Å; V10-L12 HydrophobicContact CG1-CG 4.37Å; L12-W30 HydrophobicContact CB-CH2 4Å; L12-W30 HydrophobicContact CB-CZ3 4.07Å; L12-F73 VanDerWaalsContact O-CA 3.27Å; L12-F73 WeakPolarHBondContact O-CA 3.36Å; L12-L74 HydrophobicContact CB-CB 4.34Å; L12-L74 HydrophobicContact CD1-CD2 4.07Å; L12-L74 PolarHBondContact N-O 2.8Å; L12-L74 PolarHBondContact O-N 3.26Å; L12-Y87 HydrophobicContact CD1-CD1 3.42Å; L12-Y87 VanDerWaalsContact CD1-CD1 3.42Å; L12-Y87 HydrophobicContact CD1-CD2 3.85Å; L12-Y87 HydrophobicContact CD1-CE1 3.93Å; L12-Y87 HydrophobicContact CD1-CE2 4.34Å; L12-Y87 HydrophobicContact CD1-CG 3.37Å
13	T	94.8	Very high	82.7	Confident	74 Å²	74	74.5 Å²	74.5	45%	0.454	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.9	-179.6	-55.9	0	0	0	0	109.9	Q71 L72 F73	T13-Q71 HydrophobicContact CG2-CB 4.36Å; T13-Q71 HydrophobicContact CG2-CG 4.18Å; T13-L72 CarbonylContact C-O 3.58Å; T13-L72 WeakPolarHBondContact CA-O 3.38Å; T13-F73 HydrophobicContact CG2-CD1 3.99Å; T13-F73 HydrophobicContact CG2-CE1 3.54Å; T13-F73 HydrophobicContact CG2-CZ 4.24Å; T13-F73 WeakPolarHBondContact OG1-CD1 3.29Å; T13-F73 WeakPolarHBondContact OG1-CE1 3.32Å
14	C	92.9	Very high	83.8	Confident	19 Å²	19	67.6 Å²	67.6	13%	0.128	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115.1	170	166.4	0	0	0	0	108.4	W30 Q71 L72 C89	C14-W30 HydrophobicContact CB-CH2 3.67Å; C14-W30 HydrophobicContact CB-CZ2 3.84Å; C14-Q71 CarbonylContact O-C 3.47Å; C14-Q71 WeakPolarHBondContact O-CA 3.4Å; C14-L72 HydrophobicContact CB-CB 4.14Å; C14-L72 PolarHBondContact N-O 3.44Å; C14-L72 PolarHBondContact O-N 2.68Å; C14-C89 HydrophobicContact CB-CB 3.32Å; C14-C89 WeakPolarHBondContact CB-SG 3.5Å; C14-C89 WeakPolarHBondContact SG-CB 3.49Å; C14-C89 CovalentContact SG-SG 2.04Å; C14-C89 PolarHBondContact SG-SG 3.42Å
15	T	93.6	Very high	84.8	Confident	77 Å²	77	68.6 Å²	68.6	47%	0.472	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120.7	176.9	-55.9	0	0	0	0	108.7	T17 Q71	T15-T17 HydrophobicContact CG2-CG2 4.47Å; T15-Q71 HydrophobicContact CG2-CG 4.06Å; T15-Q71 PolarHBondContact OG1-NE2 2.91Å
16	V	89.9	Confident	85.7	Confident	17 Å²	17	62 Å²	62	10%	0.103	40%	0.397	C	S	.	.			trans	-92.7	136	177.1	-178.2	0	0	0	0	108.2	Y19 I21 W28 N70 L72	V16-Y19 VanDerWaalsContact CG1-O 3.28Å; V16-Y19 WeakPolarHBondContact CG1-O 3.39Å; V16-I21 HydrophobicContact CB-CG2 3.79Å; V16-I21 HydrophobicContact CG1-CG2 4.35Å; V16-I21 HydrophobicContact CG2-CG2 3.56Å; V16-W28 HydrophobicContact CB-CH2 4.27Å; V16-W28 HydrophobicContact CG1-CH2 3.64Å; V16-W28 HydrophobicContact CG1-CZ2 4.35Å; V16-W28 HydrophobicContact CG1-CZ3 4.26Å; V16-W28 HydrophobicContact CG2-CE3 4.15Å; V16-W28 HydrophobicContact CG2-CH2 3.65Å; V16-W28 HydrophobicContact CG2-CZ2 4.34Å; V16-W28 HydrophobicContact CG2-CZ3 3.53Å; V16-N70 VanDerWaalsContact C-ND2 3.35Å; V16-N70 PolarHBondContact N-O 2.98Å; V16-N70 PolarHBondContact O-ND2 3.14Å; V16-L72 HydrophobicContact CG2-CD1 4.26Å
17	T	89.1	Confident	86.8	Confident	118 Å²	118	60.3 Å²	60.3	72%	0.724	38%	0.379	S	S	*	.			trans	-124	149.2	177.4	57.2	0	0	0	0	109.6	T15 Y19	T15-T17 HydrophobicContact CG2-CG2 4.47Å; T17-Y19 PolarHBondContact O-N 2.77Å; T17-Y19 VanDerWaalsContact O-N 3.11Å
18	G	85.6	Confident	87.8	Confident	93 Å²	93	55.6 Å²	55.6	96%	0.959	35%	0.346	S	S	*	.	S	Bend	trans	71.6	-1.4	-179.9	0	0	0	0	0	116.1
19	Y	83	Confident	88.3	Confident	49 Å²	49	52 Å²	52	19%	0.192	33%	0.329	C	S	.	.	S	Bend	trans	-153.3	137.7	-179.6	-170.8	-96.2	0	0	0	111.8	V16 T17 N23 H26 W28 N70	V16-Y19 VanDerWaalsContact CG1-O 3.28Å; V16-Y19 WeakPolarHBondContact CG1-O 3.39Å; T17-Y19 PolarHBondContact O-N 2.77Å; T17-Y19 VanDerWaalsContact O-N 3.11Å; Y19-N23 HydrophobicContact CE1-CB 4.2Å; Y19-N23 HydrophobicContact CE2-CB 4.47Å; Y19-N23 PolarHBondContact OH-O 3.44Å; Y19-H26 AromaticContact CZ-CD2 3.89Å; Y19-H26 PolarHBondContact OH-CD2 3.09Å; Y19-H26 PolarHBondContact OH-NE2 3.31Å; Y19-H26 VanDerWaalsContact OH-NE2 3.1Å; Y19-W28 HydrophobicContact CD1-CH2 4.34Å; Y19-W28 HydrophobicContact CD1-CZ2 4.05Å; Y19-W28 HydrophobicContact CE1-CZ2 4.29Å; Y19-N70 PolarHBondContact O-ND2 3.27Å; Y19-N70 PolarHBondContact O-OD1 2.93Å
20	S	88.3	Confident	88.6	Confident	48 Å²	48	48.6 Å²	48.6	34%	0.336	31%	0.308	S	S	.	.			trans	-79.8	130.2	178	172.6	0	0	0	0	112.4	T22 N23 N70	S20-T22 PolarHBondContact O-N 3.1Å; S20-T22 VanDerWaalsContact O-N 3.13Å; S20-T22 PolarHBondContact OG-N 3.25Å; S20-T22 PolarHBondContact OG-OG1 3.17Å; S20-N23 WeakPolarHBondContact O-CB 3.25Å; S20-N23 PolarHBondContact O-N 2.88Å; S20-N23 VanDerWaalsContact O-N 3.09Å; S20-N70 WeakPolarHBondContact CA-OD1 3.28Å
21	I	89.2	Confident	88.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-15.6	177.7	62.8	174	0	0	0	114.1	V16 W28 R65 T67 N70 Q71 L72	V16-I21 HydrophobicContact CB-CG2 3.79Å; V16-I21 HydrophobicContact CG1-CG2 4.35Å; V16-I21 HydrophobicContact CG2-CG2 3.56Å; I21-W28 HydrophobicContact CB-CZ2 4.17Å; I21-W28 HydrophobicContact CG2-CD2 4.39Å; I21-W28 HydrophobicContact CG2-CH2 4.36Å; I21-W28 HydrophobicContact CG2-CZ2 3.8Å; I21-W28 PolarHBondContact O-NE1 3.21Å; I21-R65 HydrophobicContact CD1-CB 4.02Å; I21-T67 HydrophobicContact CD1-CG2 4.38Å; I21-N70 WeakPolarHBondContact CG1-OD1 3.38Å; I21-N70 WeakPolarHBondContact CG2-OD1 3.41Å; I21-N70 PolarHBondContact N-OD1 2.95Å; I21-Q71 WeakPolarHBondContact CD1-O 3.43Å; I21-L72 HydrophobicContact CD1-CD2 4.27Å; I21-L72 HydrophobicContact CD1-CG 4.47Å; I21-L72 HydrophobicContact CG2-CD1 4.31Å; I21-L72 HydrophobicContact CG2-CG 4.36Å
22	T	89.7	Confident	88.7	Confident	62 Å²	62	45 Å²	45	38%	0.38	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-6.7	177.6	59	0	0	0	0	113.4	S20 T67	S20-T22 PolarHBondContact O-N 3.1Å; S20-T22 VanDerWaalsContact O-N 3.13Å; S20-T22 PolarHBondContact OG-N 3.25Å; S20-T22 PolarHBondContact OG-OG1 3.17Å; T22-T67 HydrophobicContact CG2-CG2 3.3Å
23	N	85.4	Confident	88.5	Confident	93 Å²	93	46.2 Å²	46.2	50%	0.497	29%	0.285	S	S	.	.	S	Bend	trans	-79	146.6	-176.3	-165.5	9.2	0	0	0	111.4	Y19 S20 H26	Y19-N23 HydrophobicContact CE1-CB 4.2Å; Y19-N23 HydrophobicContact CE2-CB 4.47Å; Y19-N23 PolarHBondContact OH-O 3.44Å; S20-N23 WeakPolarHBondContact O-CB 3.25Å; S20-N23 PolarHBondContact O-N 2.88Å; S20-N23 VanDerWaalsContact O-N 3.09Å; N23-H26 PolarHBondContact O-CD2 2.74Å; N23-H26 VanDerWaalsContact O-CD2 3.29Å
24	G	79.3	Confident	88.2	Confident	43 Å²	43	45 Å²	45	44%	0.443	28%	0.278	S	S	.	.	S	Bend	trans	65.9	-166.6	176.8	0	0	0	0	0	115.1	S47	G24-S47 WeakPolarHBondContact O-CB 3.42Å; G24-S47 PolarHBondContact O-OG 2.84Å
25	N	78.8	Confident	87.9	Confident	87 Å²	87	49.7 Å²	49.7	47%	0.465	31%	0.31	S	S	.	.	S	Bend	trans	-106.8	71.1	175.7	-162.3	26.5	0	0	0	108.9	F94	N25-F94 HydrophobicContact CB-CD2 4.17Å; N25-F94 WeakPolarHBondContact ND2-CD2 3.45Å; N25-F94 WeakPolarHBondContact ND2-CE2 3.28Å; N25-F94 WeakPolarHBondContact ND2-CG 3.43Å; N25-F94 WeakPolarHBondContact O-CD2 3.49Å; N25-F94 WeakPolarHBondContact OD1-CD2 3.24Å; N25-F94 WeakPolarHBondContact OD1-CE2 3.42Å
26	H	82.7	Confident	87.3	Confident	17 Å²	17	50.3 Å²	50.3	8%	0.079	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	157.5	-176.7	-60.5	-53.6	0	0	0	111.4	Y19 N23 S46 S47 R91 G92 D93	Y19-H26 AromaticContact CZ-CD2 3.89Å; Y19-H26 PolarHBondContact OH-CD2 3.09Å; Y19-H26 PolarHBondContact OH-NE2 3.31Å; Y19-H26 VanDerWaalsContact OH-NE2 3.1Å; N23-H26 PolarHBondContact O-CD2 2.74Å; N23-H26 VanDerWaalsContact O-CD2 3.29Å; H26-S46 CarbonylContact O-C 3.57Å; H26-S46 WeakPolarHBondContact O-CA 3.4Å; H26-S47 PolarHBondContact O-N 3.4Å; H26-R91 HydrophobicContact CB-CG 4.05Å; H26-R91 PolarHBondContact CD2-NH1 2.72Å; H26-R91 PolarHBondContact CE1-NH1 3.01Å; H26-R91 PolarHBondContact NE2-NH1 2.87Å; H26-G92 VanDerWaalsContact CA-O 3.29Å; H26-G92 WeakPolarHBondContact CA-O 3.2Å; H26-G92 WeakPolarHBondContact CB-O 3.48Å; H26-D93 IonicContact CE1-OD2 3.59Å; H26-D93 PolarHBondContact CE1-OD2 2.93Å; H26-D93 IonicContact ND1-OD2 3.67Å
27	W	86.8	Confident	87	Confident	54 Å²	54	52.4 Å²	52.4	21%	0.205	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	143	169.6	-46	-83.3	0	0	0	110.4	N29 Y44 R91 G92 D93 F94	W27-N29 PolarHBondContact O-ND2 2.79Å; W27-Y44 HydrophobicContact CB-CD2 4.06Å; W27-Y44 HydrophobicContact CB-CG 4.19Å; W27-Y44 AromaticContact CD1-CD2 3.69Å; W27-Y44 AromaticContact CD1-CE2 3.62Å; W27-Y44 HydrophobicContact CG-CD2 4.15Å; W27-Y44 HydrophobicContact CG-CE2 4.43Å; W27-R91 CarbonylContact O-C 3.55Å; W27-R91 WeakPolarHBondContact O-CA 3.3Å; W27-G92 PolarHBondContact N-O 2.93Å; W27-G92 PolarHBondContact O-N 3.09Å; W27-D93 WeakPolarHBondContact CZ3-O 3.43Å; W27-F94 AromaticContact CD2-CD2 3.93Å; W27-F94 HydrophobicContact CD2-CD2 3.93Å; W27-F94 AromaticContact CD2-CE2 3.91Å; W27-F94 HydrophobicContact CD2-CE2 3.91Å; W27-F94 AromaticContact CE2-CD2 3.32Å; W27-F94 AromaticContact CE2-CE1 3.83Å; W27-F94 AromaticContact CE2-CE2 3.03Å; W27-F94 AromaticContact CE2-CG 3.89Å; W27-F94 AromaticContact CE2-CZ 3.31Å; W27-F94 HydrophobicContact CE3-CD2 4.22Å; W27-F94 HydrophobicContact CH2-CB 3.82Å; W27-F94 AromaticContact CH2-CD1 3.43Å; W27-F94 HydrophobicContact CH2-CD1 3.43Å; W27-F94 VanDerWaalsContact CH2-CD1 3.43Å; W27-F94 AromaticContact CH2-CD2 3.56Å; W27-F94 HydrophobicContact CH2-CD2 3.56Å; W27-F94 AromaticContact CH2-CE1 3.91Å; W27-F94 HydrophobicContact CH2-CE1 3.91Å; W27-F94 HydrophobicContact CH2-CE2 4.05Å; W27-F94 AromaticContact CH2-CG 3.26Å; W27-F94 HydrophobicContact CH2-CG 3.26Å; W27-F94 HydrophobicContact CH2-CZ 4.2Å; W27-F94 HydrophobicContact CZ2-CB 4.26Å; W27-F94 AromaticContact CZ2-CD1 3.15Å; W27-F94 HydrophobicContact CZ2-CD1 3.15Å; W27-F94 AromaticContact CZ2-CD2 3.19Å; W27-F94 HydrophobicContact CZ2-CD2 3.19Å; W27-F94 AromaticContact CZ2-CE1 3.11Å; W27-F94 HydrophobicContact CZ2-CE1 3.11Å; W27-F94 AromaticContact CZ2-CE2 3.18Å; W27-F94 HydrophobicContact CZ2-CE2 3.18Å; W27-F94 AromaticContact CZ2-CG 3.22Å; W27-F94 HydrophobicContact CZ2-CG 3.22Å; W27-F94 AromaticContact CZ2-CZ 3.14Å; W27-F94 HydrophobicContact CZ2-CZ 3.14Å; W27-F94 VanDerWaalsContact CZ3-CA 3.44Å; W27-F94 HydrophobicContact CZ3-CB 4.27Å; W27-F94 HydrophobicContact CZ3-CD2 4.05Å; W27-F94 HydrophobicContact CZ3-CG 4Å; W27-F94 AromaticContact NE1-CD2 3.84Å; W27-F94 AromaticContact NE1-CE2 3.05Å; W27-F94 AromaticContact NE1-CZ 3.22Å
28	W	90.4	Very high	86.8	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.015	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	111.8	174.7	-63.2	96.9	0	0	0	108.4	V16 Y19 I21 Y44 I45 L72 R91	V16-W28 HydrophobicContact CB-CH2 4.27Å; V16-W28 HydrophobicContact CG1-CH2 3.64Å; V16-W28 HydrophobicContact CG1-CZ2 4.35Å; V16-W28 HydrophobicContact CG1-CZ3 4.26Å; V16-W28 HydrophobicContact CG2-CE3 4.15Å; V16-W28 HydrophobicContact CG2-CH2 3.65Å; V16-W28 HydrophobicContact CG2-CZ2 4.34Å; V16-W28 HydrophobicContact CG2-CZ3 3.53Å; Y19-W28 HydrophobicContact CD1-CH2 4.34Å; Y19-W28 HydrophobicContact CD1-CZ2 4.05Å; Y19-W28 HydrophobicContact CE1-CZ2 4.29Å; I21-W28 HydrophobicContact CB-CZ2 4.17Å; I21-W28 HydrophobicContact CG2-CD2 4.39Å; I21-W28 HydrophobicContact CG2-CH2 4.36Å; I21-W28 HydrophobicContact CG2-CZ2 3.8Å; I21-W28 PolarHBondContact O-NE1 3.21Å; W28-Y44 CarbonylContact O-C 3.55Å; W28-Y44 WeakPolarHBondContact O-CA 3.35Å; W28-Y44 WeakPolarHBondContact O-CB 3.45Å; W28-I45 HydrophobicContact CB-CG2 4.11Å; W28-I45 PolarHBondContact N-O 3.34Å; W28-I45 PolarHBondContact O-N 2.85Å; W28-L72 HydrophobicContact CB-CD1 3.49Å; W28-L72 VanDerWaalsContact CB-CD1 3.49Å; W28-L72 HydrophobicContact CB-CD2 3.84Å; W28-L72 HydrophobicContact CB-CG 4.31Å; W28-L72 HydrophobicContact CD2-CD1 3.6Å; W28-L72 HydrophobicContact CE3-CD1 3.64Å; W28-L72 HydrophobicContact CG-CD1 3.53Å; W28-L72 HydrophobicContact CG-CD2 3.99Å; W28-L72 HydrophobicContact CG-CG 4.39Å; W28-R91 HydrophobicContact CD2-CB 4.43Å; W28-R91 HydrophobicContact CD2-CG 4.34Å; W28-R91 HydrophobicContact CE3-CB 3.85Å; W28-R91 HydrophobicContact CE3-CG 4.23Å; W28-R91 HydrophobicContact CH2-CB 3.89Å; W28-R91 HydrophobicContact CH2-CG 3.87Å; W28-R91 HydrophobicContact CZ2-CB 4.44Å; W28-R91 HydrophobicContact CZ2-CG 3.96Å; W28-R91 HydrophobicContact CZ3-CB 3.57Å; W28-R91 HydrophobicContact CZ3-CG 4.02Å
29	N	91.6	Very high	86.9	Confident	15 Å²	15	55.8 Å²	55.8	8%	0.08	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	141.9	-173.5	-65.2	-94.7	0	0	0	109.8	W27 I31 W41 G43 Y44 C89 A90 F100	W27-N29 PolarHBondContact O-ND2 2.79Å; N29-I31 HydrophobicContact CB-CG1 4.44Å; N29-W41 PolarHBondContact OD1-NE1 3.06Å; N29-G43 CarbonylContact C-O 3.49Å; N29-G43 WeakPolarHBondContact CA-O 3.48Å; N29-Y44 WeakPolarHBondContact OD1-CB 3.42Å; N29-C89 CarbonylContact O-C 3.55Å; N29-C89 WeakPolarHBondContact O-CA 3.39Å; N29-A90 HydrophobicContact CB-CB 4.47Å; N29-A90 WeakPolarHBondContact CB-O 3.46Å; N29-A90 PolarHBondContact N-O 3.09Å; N29-A90 PolarHBondContact ND2-O 3.13Å; N29-A90 PolarHBondContact O-N 2.87Å; N29-F100 HydrophobicContact CB-CE1 3.92Å
30	W	93.3	Very high	87.3	Confident	7 Å²	7	56.3 Å²	56.3	3%	0.027	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.4	165.4	-74.7	100	0	0	0	108.9	L12 C14 I42 G43 L72 L74 Y88 C89	L12-W30 HydrophobicContact CB-CH2 4Å; L12-W30 HydrophobicContact CB-CZ3 4.07Å; C14-W30 HydrophobicContact CB-CH2 3.67Å; C14-W30 HydrophobicContact CB-CZ2 3.84Å; W30-I42 HydrophobicContact CB-CB 4.03Å; W30-I42 HydrophobicContact CB-CD1 4.42Å; W30-I42 HydrophobicContact CB-CG2 4.41Å; W30-I42 WeakPolarHBondContact O-CB 3.26Å; W30-I42 PolarHBondContact O-N 3.45Å; W30-G43 PolarHBondContact N-O 3.44Å; W30-L72 HydrophobicContact CZ2-CB 4.25Å; W30-L74 HydrophobicContact CB-CD2 4.03Å; W30-L74 HydrophobicContact CD2-CB 3.58Å; W30-L74 HydrophobicContact CD2-CD2 3.84Å; W30-L74 HydrophobicContact CD2-CG 4.3Å; W30-L74 VanDerWaalsContact CE2-CB 3.47Å; W30-L74 HydrophobicContact CE3-CB 3.99Å; W30-L74 HydrophobicContact CE3-CD2 3.81Å; W30-L74 HydrophobicContact CG-CB 3.98Å; W30-L74 HydrophobicContact CG-CD2 3.95Å; W30-L74 HydrophobicContact CG-CG 4.4Å; W30-L74 HydrophobicContact CH2-CB 4.15Å; W30-L74 HydrophobicContact CZ2-CB 3.77Å; W30-L74 HydrophobicContact CZ3-CB 4.25Å; W30-Y88 WeakPolarHBondContact CA-O 3.37Å; W30-C89 HydrophobicContact CE3-CB 4.5Å; W30-C89 HydrophobicContact CH2-CB 4.44Å; W30-C89 HydrophobicContact CZ3-CB 4.3Å
31	I	92.4	Very high	87.4	Confident	7 Å²	7	58 Å²	58	4%	0.036	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	140.6	-177.9	-56.2	170.4	0	0	0	106.7	N29 L39 E40 Y87 Y88 A90 F100 W103	N29-I31 HydrophobicContact CB-CG1 4.44Å; I31-L39 HydrophobicContact CG2-CB 3.8Å; I31-L39 HydrophobicContact CG2-CD2 3.69Å; I31-L39 HydrophobicContact CG2-CG 4.26Å; I31-E40 CarbonylContact C-O 3.59Å; I31-E40 WeakPolarHBondContact CA-O 2.88Å; I31-E40 WeakPolarHBondContact CG2-O 3.4Å; I31-Y87 CarbonylContact O-C 3.57Å; I31-Y87 WeakPolarHBondContact O-CA 3.01Å; I31-Y88 PolarHBondContact N-O 2.83Å; I31-Y88 PolarHBondContact O-N 2.96Å; I31-A90 HydrophobicContact CD1-CB 3.96Å; I31-F100 HydrophobicContact CD1-CD2 4.3Å; I31-F100 HydrophobicContact CD1-CE1 4.18Å; I31-F100 HydrophobicContact CD1-CE2 3.95Å; I31-F100 HydrophobicContact CD1-CZ 3.88Å; I31-W103 HydrophobicContact CD1-CH2 3.84Å; I31-W103 HydrophobicContact CD1-CZ3 4.07Å
32	R	91.8	Very high	87.6	Confident	19 Å²	19	58 Å²	58	7%	0.072	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	152.1	168.6	62.6	179.2	-173.8	-176.5	2.4	111.7	E40 I42 D83 A85 T86 Y87	R32-E40 HydrophobicContact CG-CB 4.06Å; R32-E40 IonicContact CZ-OE2 2.85Å; R32-E40 PolarHBondContact N-O 2.72Å; R32-E40 IonicContact NE-OE2 3.34Å; R32-E40 PolarHBondContact NE-OE2 3.01Å; R32-E40 IonicContact NH2-OE1 2.74Å; R32-E40 PolarHBondContact NH2-OE1 3.09Å; R32-E40 IonicContact NH2-OE2 3.54Å; R32-E40 PolarHBondContact NH2-OE2 3.41Å; R32-E40 PolarHBondContact O-N 2.94Å; R32-I42 HydrophobicContact CB-CD1 3.9Å; R32-I42 HydrophobicContact CB-CG1 4.43Å; R32-I42 HydrophobicContact CG-CD1 3.95Å; R32-I42 HydrophobicContact CG-CG1 4.02Å; R32-D83 IonicContact NH1-OD1 3.2Å; R32-D83 PolarHBondContact NH1-OD1 3.21Å; R32-A85 HydrophobicContact CB-CB 3.82Å; R32-A85 HydrophobicContact CG-CB 4.43Å; R32-T86 CarbonylContact C-O 3.57Å; R32-T86 VanDerWaalsContact CA-O 3.25Å; R32-T86 WeakPolarHBondContact CA-O 3.39Å; R32-Y87 HydrophobicContact CB-CD1 4.01Å; R32-Y87 HydrophobicContact CB-CE1 3.99Å; R32-Y87 HydrophobicContact CB-CG 4.39Å
33	Q	90	Very high	87.8	Confident	67 Å²	67	55.1 Å²	55.1	31%	0.313	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	107.1	171.9	-168.3	177	15.8	0	0	109	L39 A85 T86 Y88	Q33-L39 HydrophobicContact CB-CD2 3.8Å; Q33-L39 HydrophobicContact CG-CD2 4.18Å; Q33-A85 WeakPolarHBondContact O-CA 3.5Å; Q33-A85 WeakPolarHBondContact O-CB 3.43Å; Q33-T86 PolarHBondContact N-O 3.33Å; Q33-T86 PolarHBondContact O-N 2.95Å; Q33-Y88 HydrophobicContact CB-CE2 3.78Å; Q33-Y88 PolarHBondContact OE1-OH 2.84Å
34	V	88.6	Confident	88.1	Confident	50 Å²	50	53.1 Å²	53.1	30%	0.303	30%	0.301	S	S	.	.			trans	-68.8	138.7	167.4	-178.1	0	0	0	0	107.5	G36 S37 A85	V34-G36 PolarHBondContact O-N 3.32Å; V34-S37 WeakPolarHBondContact O-CA 3.41Å; V34-S37 WeakPolarHBondContact O-CB 2.99Å; V34-S37 PolarHBondContact O-N 2.85Å; V34-A85 HydrophobicContact CG2-CB 4.1Å
35	S	85.6	Confident	88.8	Confident	117 Å²	117	51.4 Å²	51.4	82%	0.818	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	128.9	-177.3	-168.8	0	0	0	0	111.1	S37	S35-S37 PolarHBondContact O-N 2.04Å
36	G	81.6	Confident	89.4	Confident	89 Å²	89	47.5 Å²	47.5	92%	0.918	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	2	-176.7	0	0	0	0	0	115.9	V34	V34-G36 PolarHBondContact O-N 3.32Å
37	S	82.9	Confident	89.7	Confident	62 Å²	62	47.4 Å²	47.4	43%	0.434	26%	0.262	S	S	.	.	S	Bend	trans	-109.5	169.2	-179	-60.9	0	0	0	0	113.1	V34 S35	V34-S37 WeakPolarHBondContact O-CA 3.41Å; V34-S37 WeakPolarHBondContact O-CB 2.99Å; V34-S37 PolarHBondContact O-N 2.85Å; S35-S37 PolarHBondContact O-N 2.04Å
38	K	85.3	Confident	89.8	Confident	191 Å²	191	49.4 Å²	49.4	83%	0.83	28%	0.284	S	S	*	.			trans	-68.8	159.6	173	-65.7	-177.1	179.9	178.9	0	111	E40	K38-E40 PolarHBondContact O-N 3.41Å
39	L	89.1	Confident	89.8	Confident	90 Å²	90	50.7 Å²	50.7	47%	0.471	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	127.4	169.7	-69.6	166.8	0	0	0	109.9	I31 Q33 Y88 W103	I31-L39 HydrophobicContact CG2-CB 3.8Å; I31-L39 HydrophobicContact CG2-CD2 3.69Å; I31-L39 HydrophobicContact CG2-CG 4.26Å; Q33-L39 HydrophobicContact CB-CD2 3.8Å; Q33-L39 HydrophobicContact CG-CD2 4.18Å; L39-Y88 HydrophobicContact CD2-CD2 4.1Å; L39-Y88 HydrophobicContact CD2-CE2 4.03Å; L39-W103 HydrophobicContact CD1-CH2 4.18Å
40	E	89.8	Confident	89.8	Confident	60 Å²	60	53.1 Å²	53.1	28%	0.28	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.1	176	-172.7	-173.6	177.4	0	0	109.6	I31 R32 K38	I31-E40 CarbonylContact C-O 3.59Å; I31-E40 WeakPolarHBondContact CA-O 2.88Å; I31-E40 WeakPolarHBondContact CG2-O 3.4Å; R32-E40 HydrophobicContact CG-CB 4.06Å; R32-E40 IonicContact CZ-OE2 2.85Å; R32-E40 PolarHBondContact N-O 2.72Å; R32-E40 IonicContact NE-OE2 3.34Å; R32-E40 PolarHBondContact NE-OE2 3.01Å; R32-E40 IonicContact NH2-OE1 2.74Å; R32-E40 PolarHBondContact NH2-OE1 3.09Å; R32-E40 IonicContact NH2-OE2 3.54Å; R32-E40 PolarHBondContact NH2-OE2 3.41Å; R32-E40 PolarHBondContact O-N 2.94Å; K38-E40 PolarHBondContact O-N 3.41Å
41	W	90.9	Very high	89.7	Confident	84 Å²	84	56.5 Å²	56.5	32%	0.318	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	130.8	175.1	177.8	82	0	0	0	110.7	N29 G43 Y44 D52 N54	N29-W41 PolarHBondContact OD1-NE1 3.06Å; W41-G43 VanDerWaalsContact CE2-CA 3.46Å; W41-G43 VanDerWaalsContact CZ2-C 3.5Å; W41-G43 PolarHBondContact NE1-O 2.82Å; W41-Y44 AromaticContact CZ2-CD1 3.64Å; W41-Y44 HydrophobicContact CZ2-CD1 3.64Å; W41-Y44 HydrophobicContact CZ2-CE1 4.36Å; W41-Y44 HydrophobicContact CZ2-CG 4.45Å; W41-D52 HydrophobicContact CH2-CB 4.36Å; W41-N54 HydrophobicContact CE3-CB 4.09Å; W41-N54 HydrophobicContact CZ3-CB 4.15Å; W41-N54 VanDerWaalsContact CZ3-N 3.31Å; W41-N54 WeakPolarHBondContact O-CB 3.49Å; W41-N54 PolarHBondContact O-ND2 3.22Å
42	I	93.6	Very high	89.7	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-45.7	-179.7	-62.6	175.9	0	0	0	110.5	W30 R32 S53 N54 L57 I61 L74 Y87	W30-I42 HydrophobicContact CB-CB 4.03Å; W30-I42 HydrophobicContact CB-CD1 4.42Å; W30-I42 HydrophobicContact CB-CG2 4.41Å; W30-I42 WeakPolarHBondContact O-CB 3.26Å; W30-I42 PolarHBondContact O-N 3.45Å; R32-I42 HydrophobicContact CB-CD1 3.9Å; R32-I42 HydrophobicContact CB-CG1 4.43Å; R32-I42 HydrophobicContact CG-CD1 3.95Å; R32-I42 HydrophobicContact CG-CG1 4.02Å; I42-S53 WeakPolarHBondContact O-CA 3.29Å; I42-N54 PolarHBondContact O-N 3.49Å; I42-L57 HydrophobicContact CB-CD1 4.42Å; I42-L57 HydrophobicContact CG1-CD1 4.09Å; I42-L57 HydrophobicContact CG2-CD1 4.24Å; I42-I61 HydrophobicContact CG2-CD1 3.42Å; I42-I61 VanDerWaalsContact CG2-CD1 3.42Å; I42-I61 HydrophobicContact CG2-CG2 4.38Å; I42-L74 HydrophobicContact CD1-CD2 3.77Å; I42-L74 HydrophobicContact CG2-CD1 4.02Å; I42-L74 HydrophobicContact CG2-CD2 4.26Å; I42-Y87 HydrophobicContact CD1-CD1 3.6Å; I42-Y87 HydrophobicContact CD1-CE1 3.48Å; I42-Y87 VanDerWaalsContact CD1-CE1 3.48Å
43	G	93.3	Very high	89.8	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.8	173.7	-173.1	0	0	0	0	0	112.5	N29 W30 W41 D52	N29-G43 CarbonylContact C-O 3.49Å; N29-G43 WeakPolarHBondContact CA-O 3.48Å; W30-G43 PolarHBondContact N-O 3.44Å; W41-G43 VanDerWaalsContact CE2-CA 3.46Å; W41-G43 VanDerWaalsContact CZ2-C 3.5Å; W41-G43 PolarHBondContact NE1-O 2.82Å; G43-D52 CarbonylContact C-O 3.49Å; G43-D52 WeakPolarHBondContact CA-O 3.35Å
44	Y	93.1	Very high	89.8	Confident	52 Å²	52	57.7 Å²	57.7	20%	0.204	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	162.4	172.1	75.7	-108.4	0	0	0	112.5	W27 W28 N29 W41 T51 D52	W27-Y44 HydrophobicContact CB-CD2 4.06Å; W27-Y44 HydrophobicContact CB-CG 4.19Å; W27-Y44 AromaticContact CD1-CD2 3.69Å; W27-Y44 AromaticContact CD1-CE2 3.62Å; W27-Y44 HydrophobicContact CG-CD2 4.15Å; W27-Y44 HydrophobicContact CG-CE2 4.43Å; W28-Y44 CarbonylContact O-C 3.55Å; W28-Y44 WeakPolarHBondContact O-CA 3.35Å; W28-Y44 WeakPolarHBondContact O-CB 3.45Å; N29-Y44 WeakPolarHBondContact OD1-CB 3.42Å; W41-Y44 AromaticContact CZ2-CD1 3.64Å; W41-Y44 HydrophobicContact CZ2-CD1 3.64Å; W41-Y44 HydrophobicContact CZ2-CE1 4.36Å; W41-Y44 HydrophobicContact CZ2-CG 4.45Å; Y44-T51 VanDerWaalsContact O-CA 3.26Å; Y44-T51 WeakPolarHBondContact O-CA 3.43Å; Y44-D52 HydrophobicContact CD1-CB 4.14Å; Y44-D52 HydrophobicContact CE1-CB 3.5Å; Y44-D52 HydrophobicContact CE2-CB 4.41Å; Y44-D52 PolarHBondContact N-O 3.38Å; Y44-D52 PolarHBondContact O-N 2.77Å; Y44-D52 VanDerWaalsContact O-N 3.15Å
45	I	93.1	Very high	89.9	Confident	7 Å²	7	60.5 Å²	60.5	4%	0.036	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	130	161.1	-171.6	163.5	0	0	0	110.1	W28 S50 T51 I63 R65 L72	W28-I45 HydrophobicContact CB-CG2 4.11Å; W28-I45 PolarHBondContact N-O 3.34Å; W28-I45 PolarHBondContact O-N 2.85Å; I45-S50 CarbonylContact C-O 3.59Å; I45-S50 WeakPolarHBondContact CA-O 3.41Å; I45-T51 HydrophobicContact CB-CG2 4Å; I45-T51 HydrophobicContact CD1-CG2 3.81Å; I45-T51 HydrophobicContact CG1-CG2 3.75Å; I45-I63 HydrophobicContact CB-CG2 3.89Å; I45-I63 HydrophobicContact CG2-CG2 3.94Å; I45-R65 HydrophobicContact CD1-CB 4.14Å; I45-R65 HydrophobicContact CD1-CG 3.83Å; I45-L72 HydrophobicContact CG2-CD2 3.45Å; I45-L72 VanDerWaalsContact CG2-CD2 3.45Å
46	S	91.2	Very high	90	Very high	4 Å²	4	59.6 Å²	59.6	3%	0.028	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	166.6	179.6	74.4	0	0	0	0	111.9	H26 S48 G49 S50 R65	H26-S46 CarbonylContact O-C 3.57Å; H26-S46 WeakPolarHBondContact O-CA 3.4Å; S46-S48 PolarHBondContact O-N 2.92Å; S46-S48 PolarHBondContact OG-N 3.18Å; S46-S48 PolarHBondContact OG-OG 3.41Å; S46-G49 PolarHBondContact O-N 2.95Å; S46-G49 PolarHBondContact OG-N 2.97Å; S46-G49 VanDerWaalsContact OG-N 3.09Å; S46-S50 PolarHBondContact N-O 3.03Å; S46-S50 WeakPolarHBondContact OG-CB 3.39Å; S46-S50 PolarHBondContact OG-N 2.81Å; S46-S50 PolarHBondContact OG-O 2.81Å; S46-R65 PolarHBondContact O-NH1 2.98Å
47	S	89	Confident	90.4	Very high	16 Å²	16	55.7 Å²	55.7	11%	0.112	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.6	168.5	57.7	0	0	0	0	113.2	G24 H26 R65	G24-S47 WeakPolarHBondContact O-CB 3.42Å; G24-S47 PolarHBondContact O-OG 2.84Å; H26-S47 PolarHBondContact O-N 3.4Å; S47-R65 VanDerWaalsContact O-CZ 3.24Å; S47-R65 PolarHBondContact O-NH1 2.86Å; S47-R65 PolarHBondContact O-NH2 2.82Å
48	S	89.3	Confident	90.7	Very high	95 Å²	95	58.7 Å²	58.7	66%	0.664	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-9.7	171.7	58.5	0	0	0	0	114.4	S46	S46-S48 PolarHBondContact O-N 2.92Å; S46-S48 PolarHBondContact OG-N 3.18Å; S46-S48 PolarHBondContact OG-OG 3.41Å
49	G	89.9	Confident	91	Very high	32 Å²	32	54.8 Å²	54.8	33%	0.33	32%	0.323	S	S	.	.			trans	92.1	5.9	-179.3	0	0	0	0	0	114.6	S46	S46-G49 PolarHBondContact O-N 2.95Å; S46-G49 PolarHBondContact OG-N 2.97Å; S46-G49 VanDerWaalsContact OG-N 3.09Å
50	S	91.1	Very high	91.1	Very high	65 Å²	65	53 Å²	53	46%	0.455	31%	0.31	S	S	.	.			trans	-67.7	132.7	170.3	176.7	0	0	0	0	109.8	I45 S46	I45-S50 CarbonylContact C-O 3.59Å; I45-S50 WeakPolarHBondContact CA-O 3.41Å; S46-S50 PolarHBondContact N-O 3.03Å; S46-S50 WeakPolarHBondContact OG-CB 3.39Å; S46-S50 PolarHBondContact OG-N 2.81Å; S46-S50 PolarHBondContact OG-O 2.81Å
51	T	92.8	Very high	91.3	Very high	79 Å²	79	51.1 Å²	51.1	49%	0.485	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.9	-178.4	56.4	0	0	0	0	111.1	Y44 I45	Y44-T51 VanDerWaalsContact O-CA 3.26Å; Y44-T51 WeakPolarHBondContact O-CA 3.43Å; I45-T51 HydrophobicContact CB-CG2 4Å; I45-T51 HydrophobicContact CD1-CG2 3.81Å; I45-T51 HydrophobicContact CG1-CG2 3.75Å
52	D	92.4	Very high	91.5	Very high	70 Å²	70	49.3 Å²	49.3	37%	0.374	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	157.8	163.1	-160.7	9.9	0	0	0	110.2	W41 G43 Y44	W41-D52 HydrophobicContact CH2-CB 4.36Å; G43-D52 CarbonylContact C-O 3.49Å; G43-D52 WeakPolarHBondContact CA-O 3.35Å; Y44-D52 HydrophobicContact CD1-CB 4.14Å; Y44-D52 HydrophobicContact CE1-CB 3.5Å; Y44-D52 HydrophobicContact CE2-CB 4.41Å; Y44-D52 PolarHBondContact N-O 3.38Å; Y44-D52 PolarHBondContact O-N 2.77Å; Y44-D52 VanDerWaalsContact O-N 3.15Å
53	S	92.6	Very high	91.6	Very high	18 Å²	18	50.2 Å²	50.2	13%	0.126	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	152.3	-171.5	44.2	0	0	0	0	111.8	I42 P55 K58	I42-S53 WeakPolarHBondContact O-CA 3.29Å; S53-P55 WeakPolarHBondContact O-CD 3.08Å; S53-K58 WeakPolarHBondContact OG-CG 3.48Å
54	N	90.8	Very high	91.7	Very high	30 Å²	30	53.4 Å²	53.4	16%	0.16	33%	0.326	C	S	.	.			trans	-59.8	121.2	172.8	-176	-27.1	0	0	0	109.2	W41 I42 S56 L57 K58	W41-N54 HydrophobicContact CE3-CB 4.09Å; W41-N54 HydrophobicContact CZ3-CB 4.15Å; W41-N54 VanDerWaalsContact CZ3-N 3.31Å; W41-N54 WeakPolarHBondContact O-CB 3.49Å; W41-N54 PolarHBondContact O-ND2 3.22Å; I42-N54 PolarHBondContact O-N 3.49Å; N54-S56 PolarHBondContact O-N 2.82Å; N54-S56 VanDerWaalsContact O-N 3.08Å; N54-S56 WeakPolarHBondContact OD1-CB 3.42Å; N54-S56 PolarHBondContact OD1-N 2.92Å; N54-S56 VanDerWaalsContact OD1-N 3.09Å; N54-L57 PolarHBondContact O-N 3.08Å; N54-K58 PolarHBondContact O-N 2.95Å
55	P	90.8	Very high	91.7	Very high	109 Å²	109	54 Å²	54	71%	0.708	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-33.9	-177.7	-28.5	35.3	0	0	0	114	S53 L57	S53-P55 WeakPolarHBondContact O-CD 3.08Å; P55-L57 VanDerWaalsContact C-N 3.25Å; P55-L57 PolarHBondContact O-N 3.34Å
56	S	88.7	Confident	91.7	Very high	97 Å²	97	55.7 Å²	55.7	68%	0.678	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-24	179.2	-58.2	0	0	0	0	113.7	N54	N54-S56 PolarHBondContact O-N 2.82Å; N54-S56 VanDerWaalsContact O-N 3.08Å; N54-S56 WeakPolarHBondContact OD1-CB 3.42Å; N54-S56 PolarHBondContact OD1-N 2.92Å; N54-S56 VanDerWaalsContact OD1-N 3.09Å
57	L	89.1	Confident	91.8	Very high	7 Å²	7	59.2 Å²	59.2	4%	0.037	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-15.1	-178.6	-61.8	176.4	0	0	0	112.7	I42 N54 P55 S59 R60 I61	I42-L57 HydrophobicContact CB-CD1 4.42Å; I42-L57 HydrophobicContact CG1-CD1 4.09Å; I42-L57 HydrophobicContact CG2-CD1 4.24Å; N54-L57 PolarHBondContact O-N 3.08Å; P55-L57 VanDerWaalsContact C-N 3.25Å; P55-L57 PolarHBondContact O-N 3.34Å; L57-S59 PolarHBondContact O-N 3.11Å; L57-S59 VanDerWaalsContact O-N 3.07Å; L57-R60 PolarHBondContact O-N 2.72Å; L57-I61 HydrophobicContact CB-CD1 4.29Å; L57-I61 HydrophobicContact CB-CG2 4.07Å; L57-I61 WeakPolarHBondContact O-CG1 3.35Å; L57-I61 PolarHBondContact O-N 3.03Å; L57-I61 VanDerWaalsContact O-N 3.13Å
58	K	88.8	Confident	91.9	Very high	125 Å²	125	63.2 Å²	63.2	54%	0.543	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-32.8	-170.9	-172.9	166.1	-173.3	172.2	0	114.8	S53 N54 R60	S53-K58 WeakPolarHBondContact OG-CG 3.48Å; N54-K58 PolarHBondContact O-N 2.95Å; K58-R60 VanDerWaalsContact C-N 3.32Å
59	S	91.2	Very high	92.1	Very high	110 Å²	110	64.9 Å²	64.9	77%	0.769	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-20.6	178.4	59.2	0	0	0	0	113.9	L57	L57-S59 PolarHBondContact O-N 3.11Å; L57-S59 VanDerWaalsContact O-N 3.07Å
60	R	92.5	Very high	92.3	Very high	52 Å²	52	64.8 Å²	64.8	20%	0.196	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-12.2	-174.3	-59.3	-165.9	-60.3	121.8	-0.5	113.4	L57 K58 N77 S78 D83	L57-R60 PolarHBondContact O-N 2.72Å; K58-R60 VanDerWaalsContact C-N 3.32Å; R60-N77 PolarHBondContact O-N 3.27Å; R60-S78 PolarHBondContact NH1-O 2.85Å; R60-D83 IonicContact CZ-OD1 2.92Å; R60-D83 IonicContact CZ-OD2 3.41Å; R60-D83 IonicContact NH1-OD1 3.18Å; R60-D83 IonicContact NH1-OD2 3.77Å; R60-D83 PolarHBondContact NH1-OD2 3.07Å; R60-D83 IonicContact NH2-OD1 3.66Å; R60-D83 PolarHBondContact NH2-OD1 2.88Å; R60-D83 IonicContact NH2-OD2 2.72Å; R60-D83 PolarHBondContact NH2-OD2 3.42Å
61	I	93.9	Very high	92.5	Very high	21 Å²	21	63.7 Å²	63.7	11%	0.108	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	153.1	-175.8	71.6	172.6	0	0	0	113.3	I42 L57 I63 L74 Q75 L76	I42-I61 HydrophobicContact CG2-CD1 3.42Å; I42-I61 VanDerWaalsContact CG2-CD1 3.42Å; I42-I61 HydrophobicContact CG2-CG2 4.38Å; L57-I61 HydrophobicContact CB-CD1 4.29Å; L57-I61 HydrophobicContact CB-CG2 4.07Å; L57-I61 WeakPolarHBondContact O-CG1 3.35Å; L57-I61 PolarHBondContact O-N 3.03Å; L57-I61 VanDerWaalsContact O-N 3.13Å; I61-I63 HydrophobicContact CD1-CD1 4.28Å; I61-L74 HydrophobicContact CB-CD1 4.09Å; I61-L74 HydrophobicContact CG2-CD1 4.37Å; I61-Q75 CarbonylContact C-O 3.6Å; I61-Q75 WeakPolarHBondContact CA-O 3.12Å; I61-L76 HydrophobicContact CG2-CD1 3.72Å; I61-L76 HydrophobicContact CG2-CG 3.91Å
62	S	94.8	Very high	92.5	Very high	46 Å²	46	59.9 Å²	59.9	32%	0.322	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	129	165.3	179.5	0	0	0	0	109.3	Q75	S62-Q75 PolarHBondContact N-O 3.1Å; S62-Q75 PolarHBondContact O-N 3.48Å
63	I	95.1	Very high	92.7	Very high	20 Å²	20	58.6 Å²	58.6	10%	0.103	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.4	179.1	-59.7	172.7	0	0	0	107.9	I45 I61 F73 L74	I45-I63 HydrophobicContact CB-CG2 3.89Å; I45-I63 HydrophobicContact CG2-CG2 3.94Å; I61-I63 HydrophobicContact CD1-CD1 4.28Å; I63-F73 WeakPolarHBondContact CA-O 3.27Å; I63-L74 HydrophobicContact CD1-CD1 4.5Å; I63-L74 HydrophobicContact CG1-CD1 3.8Å
64	T	95	Very high	92.8	Very high	67 Å²	67	57.7 Å²	57.7	41%	0.411	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	174.5	-179.1	66.9	0	0	0	0	111.1	F73	T64-F73 PolarHBondContact N-O 2.8Å; T64-F73 PolarHBondContact O-N 2.82Å
65	R	93.8	Very high	93	Very high	65 Å²	65	60 Å²	60	25%	0.245	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	148.5	179.5	68.9	-177.4	-177	163.4	3.6	111.6	I21 I45 S46 S47 T67 Q71 L72	I21-R65 HydrophobicContact CD1-CB 4.02Å; I45-R65 HydrophobicContact CD1-CB 4.14Å; I45-R65 HydrophobicContact CD1-CG 3.83Å; S46-R65 PolarHBondContact O-NH1 2.98Å; S47-R65 VanDerWaalsContact O-CZ 3.24Å; S47-R65 PolarHBondContact O-NH1 2.86Å; S47-R65 PolarHBondContact O-NH2 2.82Å; R65-T67 HydrophobicContact CG-CG2 4.29Å; R65-Q71 CarbonylContact C-O 3.42Å; R65-Q71 VanDerWaalsContact CA-O 3.3Å; R65-Q71 WeakPolarHBondContact CA-O 3.39Å; R65-L72 HydrophobicContact CB-CD2 3.86Å
66	D	93.8	Very high	93.1	Very high	41 Å²	41	55.1 Å²	55.1	22%	0.219	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	104.6	167.6	-176.5	-17	0	0	0	108	S68 K69 N70 Q71 F73	D66-S68 VanDerWaalsContact C-N 3.28Å; D66-S68 PolarHBondContact O-N 2.82Å; D66-S68 WeakPolarHBondContact OD1-CA 3.39Å; D66-S68 WeakPolarHBondContact OD1-CB 3.02Å; D66-S68 PolarHBondContact OD1-N 2.89Å; D66-S68 PolarHBondContact OD1-OG 3.49Å; D66-K69 HydrophobicContact CB-CB 4.37Å; D66-K69 PolarHBondContact O-N 3.39Å; D66-K69 PolarHBondContact OD1-N 2.94Å; D66-K69 VanDerWaalsContact OD2-CD 3.24Å; D66-K69 WeakPolarHBondContact OD2-CD 3.33Å; D66-K69 WeakPolarHBondContact OD2-CE 3.43Å; D66-K69 WeakPolarHBondContact OD2-CG 3.39Å; D66-K69 IonicContact OD2-NZ 2.79Å; D66-N70 WeakPolarHBondContact O-CA 3.5Å; D66-N70 PolarHBondContact O-N 2.72Å; D66-Q71 PolarHBondContact N-O 2.84Å; D66-Q71 PolarHBondContact O-N 2.96Å; D66-F73 HydrophobicContact CB-CE2 3.72Å; D66-F73 HydrophobicContact CB-CZ 4.38Å
67	T	92	Very high	93.2	Very high	78 Å²	78	53 Å²	53	48%	0.479	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-22.3	-178.3	57.8	0	0	0	0	112.5	I21 T22 R65 K69	I21-T67 HydrophobicContact CD1-CG2 4.38Å; T22-T67 HydrophobicContact CG2-CG2 3.3Å; R65-T67 HydrophobicContact CG-CG2 4.29Å; T67-K69 VanDerWaalsContact C-N 3.34Å
68	S	92.1	Very high	93.2	Very high	101 Å²	101	56.1 Å²	56.1	71%	0.706	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-32	176.4	75.7	0	0	0	0	111.7	D66	D66-S68 VanDerWaalsContact C-N 3.28Å; D66-S68 PolarHBondContact O-N 2.82Å; D66-S68 WeakPolarHBondContact OD1-CA 3.39Å; D66-S68 WeakPolarHBondContact OD1-CB 3.02Å; D66-S68 PolarHBondContact OD1-N 2.89Å; D66-S68 PolarHBondContact OD1-OG 3.49Å
69	K	93.6	Very high	93.2	Very high	129 Å²	129	51.1 Å²	51.1	56%	0.561	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-3	178.8	-63	-178.6	-169.6	160.4	0	113.9	D66 T67 Q71	D66-K69 HydrophobicContact CB-CB 4.37Å; D66-K69 PolarHBondContact O-N 3.39Å; D66-K69 PolarHBondContact OD1-N 2.94Å; D66-K69 VanDerWaalsContact OD2-CD 3.24Å; D66-K69 WeakPolarHBondContact OD2-CD 3.33Å; D66-K69 WeakPolarHBondContact OD2-CE 3.43Å; D66-K69 WeakPolarHBondContact OD2-CG 3.39Å; D66-K69 IonicContact OD2-NZ 2.79Å; T67-K69 VanDerWaalsContact C-N 3.34Å; K69-Q71 VanDerWaalsContact C-N 3.28Å; K69-Q71 HydrophobicContact CB-CB 4.33Å; K69-Q71 HydrophobicContact CB-CG 4.09Å; K69-Q71 PolarHBondContact O-N 3.44Å
70	N	93	Very high	93	Very high	30 Å²	30	48.5 Å²	48.5	16%	0.16	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	42.1	-176.4	-154.4	43.6	0	0	0	112.7	V16 Y19 S20 I21 D66	V16-N70 VanDerWaalsContact C-ND2 3.35Å; V16-N70 PolarHBondContact N-O 2.98Å; V16-N70 PolarHBondContact O-ND2 3.14Å; Y19-N70 PolarHBondContact O-ND2 3.27Å; Y19-N70 PolarHBondContact O-OD1 2.93Å; S20-N70 WeakPolarHBondContact CA-OD1 3.28Å; I21-N70 WeakPolarHBondContact CG1-OD1 3.38Å; I21-N70 WeakPolarHBondContact CG2-OD1 3.41Å; I21-N70 PolarHBondContact N-OD1 2.95Å; D66-N70 WeakPolarHBondContact O-CA 3.5Å; D66-N70 PolarHBondContact O-N 2.72Å
71	Q	94.9	Very high	92.6	Very high	42 Å²	42	51 Å²	51	20%	0.196	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	148.3	-173.5	-77.1	177	-26.4	0	0	112.2	T13 C14 T15 I21 R65 D66 K69 F73	T13-Q71 HydrophobicContact CG2-CB 4.36Å; T13-Q71 HydrophobicContact CG2-CG 4.18Å; C14-Q71 CarbonylContact O-C 3.47Å; C14-Q71 WeakPolarHBondContact O-CA 3.4Å; T15-Q71 HydrophobicContact CG2-CG 4.06Å; T15-Q71 PolarHBondContact OG1-NE2 2.91Å; I21-Q71 WeakPolarHBondContact CD1-O 3.43Å; R65-Q71 CarbonylContact C-O 3.42Å; R65-Q71 VanDerWaalsContact CA-O 3.3Å; R65-Q71 WeakPolarHBondContact CA-O 3.39Å; D66-Q71 PolarHBondContact N-O 2.84Å; D66-Q71 PolarHBondContact O-N 2.96Å; K69-Q71 VanDerWaalsContact C-N 3.28Å; K69-Q71 HydrophobicContact CB-CB 4.33Å; K69-Q71 HydrophobicContact CB-CG 4.09Å; K69-Q71 PolarHBondContact O-N 3.44Å; Q71-F73 HydrophobicContact CB-CE1 4.49Å; Q71-F73 HydrophobicContact CB-CE2 3.84Å; Q71-F73 HydrophobicContact CB-CZ 3.69Å
72	L	94.1	Very high	92.2	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.2	174.8	-60.9	154.4	0	0	0	108.2	T13 C14 V16 I21 W28 W30 I45 R65	T13-L72 CarbonylContact C-O 3.58Å; T13-L72 WeakPolarHBondContact CA-O 3.38Å; C14-L72 HydrophobicContact CB-CB 4.14Å; C14-L72 PolarHBondContact N-O 3.44Å; C14-L72 PolarHBondContact O-N 2.68Å; V16-L72 HydrophobicContact CG2-CD1 4.26Å; I21-L72 HydrophobicContact CD1-CD2 4.27Å; I21-L72 HydrophobicContact CD1-CG 4.47Å; I21-L72 HydrophobicContact CG2-CD1 4.31Å; I21-L72 HydrophobicContact CG2-CG 4.36Å; W28-L72 HydrophobicContact CB-CD1 3.49Å; W28-L72 VanDerWaalsContact CB-CD1 3.49Å; W28-L72 HydrophobicContact CB-CD2 3.84Å; W28-L72 HydrophobicContact CB-CG 4.31Å; W28-L72 HydrophobicContact CD2-CD1 3.6Å; W28-L72 HydrophobicContact CE3-CD1 3.64Å; W28-L72 HydrophobicContact CG-CD1 3.53Å; W28-L72 HydrophobicContact CG-CD2 3.99Å; W28-L72 HydrophobicContact CG-CG 4.39Å; W30-L72 HydrophobicContact CZ2-CB 4.25Å; I45-L72 HydrophobicContact CG2-CD2 3.45Å; I45-L72 VanDerWaalsContact CG2-CD2 3.45Å; R65-L72 HydrophobicContact CB-CD2 3.86Å
73	F	95.3	Very high	91.8	Very high	42 Å²	42	55.1 Å²	55.1	18%	0.184	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	138.6	-178.5	-54.5	-86.2	0	0	0	110.5	L12 T13 I63 T64 D66 Q71	L12-F73 VanDerWaalsContact O-CA 3.27Å; L12-F73 WeakPolarHBondContact O-CA 3.36Å; T13-F73 HydrophobicContact CG2-CD1 3.99Å; T13-F73 HydrophobicContact CG2-CE1 3.54Å; T13-F73 HydrophobicContact CG2-CZ 4.24Å; T13-F73 WeakPolarHBondContact OG1-CD1 3.29Å; T13-F73 WeakPolarHBondContact OG1-CE1 3.32Å; I63-F73 WeakPolarHBondContact CA-O 3.27Å; T64-F73 PolarHBondContact N-O 2.8Å; T64-F73 PolarHBondContact O-N 2.82Å; D66-F73 HydrophobicContact CB-CE2 3.72Å; D66-F73 HydrophobicContact CB-CZ 4.38Å; Q71-F73 HydrophobicContact CB-CE1 4.49Å; Q71-F73 HydrophobicContact CB-CE2 3.84Å; Q71-F73 HydrophobicContact CB-CZ 3.69Å
74	L	95.6	Very high	91.5	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	111.2	167.8	170	67.2	0	0	0	107.8	L12 W30 I42 I61 I63 L76 Y87	L12-L74 HydrophobicContact CB-CB 4.34Å; L12-L74 HydrophobicContact CD1-CD2 4.07Å; L12-L74 PolarHBondContact N-O 2.8Å; L12-L74 PolarHBondContact O-N 3.26Å; W30-L74 HydrophobicContact CB-CD2 4.03Å; W30-L74 HydrophobicContact CD2-CB 3.58Å; W30-L74 HydrophobicContact CD2-CD2 3.84Å; W30-L74 HydrophobicContact CD2-CG 4.3Å; W30-L74 VanDerWaalsContact CE2-CB 3.47Å; W30-L74 HydrophobicContact CE3-CB 3.99Å; W30-L74 HydrophobicContact CE3-CD2 3.81Å; W30-L74 HydrophobicContact CG-CB 3.98Å; W30-L74 HydrophobicContact CG-CD2 3.95Å; W30-L74 HydrophobicContact CG-CG 4.4Å; W30-L74 HydrophobicContact CH2-CB 4.15Å; W30-L74 HydrophobicContact CZ2-CB 3.77Å; W30-L74 HydrophobicContact CZ3-CB 4.25Å; I42-L74 HydrophobicContact CD1-CD2 3.77Å; I42-L74 HydrophobicContact CG2-CD1 4.02Å; I42-L74 HydrophobicContact CG2-CD2 4.26Å; I61-L74 HydrophobicContact CB-CD1 4.09Å; I61-L74 HydrophobicContact CG2-CD1 4.37Å; I63-L74 HydrophobicContact CD1-CD1 4.5Å; I63-L74 HydrophobicContact CG1-CD1 3.8Å; L74-L76 HydrophobicContact CD1-CD1 3.71Å; L74-L76 HydrophobicContact CD2-CD1 3.69Å; L74-L76 HydrophobicContact CG-CD1 3.51Å; L74-Y87 HydrophobicContact CD2-CD1 3.89Å; L74-Y87 HydrophobicContact CD2-CE1 4.1Å
75	Q	94.6	Very high	91.3	Very high	78 Å²	78	57.9 Å²	57.9	36%	0.364	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.6	172.9	-175.1	177.3	-4.1	0	0	108.9	T9 V10 I61 S62 N77	T9-Q75 HydrophobicContact CG2-CG 3.6Å; T9-Q75 VanDerWaalsContact CG2-NE2 3.33Å; V10-Q75 CarbonylContact O-C 3.55Å; V10-Q75 WeakPolarHBondContact O-CA 3.26Å; I61-Q75 CarbonylContact C-O 3.6Å; I61-Q75 WeakPolarHBondContact CA-O 3.12Å; S62-Q75 PolarHBondContact N-O 3.1Å; S62-Q75 PolarHBondContact O-N 3.48Å; Q75-N77 PolarHBondContact NE2-OD1 2.96Å
76	L	92.9	Very high	91.1	Very high	6 Å²	6	58.4 Å²	58.4	3%	0.031	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.5	170.3	-99.8	73.4	0	0	0	108.9	T9 V10 I61 L74 V79 D83 Y87	T9-L76 CarbonylContact C-O 3.53Å; T9-L76 VanDerWaalsContact CA-O 3.26Å; T9-L76 WeakPolarHBondContact CA-O 3.39Å; V10-L76 PolarHBondContact N-O 2.79Å; V10-L76 PolarHBondContact O-N 3.06Å; I61-L76 HydrophobicContact CG2-CD1 3.72Å; I61-L76 HydrophobicContact CG2-CG 3.91Å; L74-L76 HydrophobicContact CD1-CD1 3.71Å; L74-L76 HydrophobicContact CD2-CD1 3.69Å; L74-L76 HydrophobicContact CG-CD1 3.51Å; L76-V79 HydrophobicContact CB-CG2 3.94Å; L76-D83 HydrophobicContact CD2-CB 4.07Å; L76-Y87 HydrophobicContact CD1-CE1 4.41Å; L76-Y87 HydrophobicContact CD2-CE1 4.28Å; L76-Y87 VanDerWaalsContact CD2-OH 3.26Å; L76-Y87 WeakPolarHBondContact CD2-OH 3.36Å
77	N	91.7	Very high	91.1	Very high	53 Å²	53	58.6 Å²	58.6	28%	0.283	32%	0.322	S	S	.	.	S	Bend	trans	-98.4	147.5	174	-61.8	-43.8	0	0	0	110.3	T9 R60 Q75 V79	T9-N77 WeakPolarHBondContact CG2-OD1 3.22Å; T9-N77 PolarHBondContact OG1-OD1 3.29Å; R60-N77 PolarHBondContact O-N 3.27Å; Q75-N77 PolarHBondContact NE2-OD1 2.96Å; N77-V79 PolarHBondContact O-N 2.87Å
78	S	88.4	Confident	91	Very high	72 Å²	72	57.5 Å²	57.5	50%	0.503	31%	0.309	S	S	.	.	S	Bend	trans	53.3	55.4	178.2	-54.3	0	0	0	0	112.2	R60 T80	R60-S78 PolarHBondContact NH1-O 2.85Å; S78-T80 PolarHBondContact O-N 3.13Å
79	V	88.3	Confident	91	Very high	21 Å²	21	53 Å²	53	13%	0.127	28%	0.278	C	S	.	.			trans	-60.9	130.1	-178.9	176	0	0	0	0	110.3	P6 S7 Q8 V10 L76 N77 D83	P6-V79 WeakPolarHBondContact CA-O 3.49Å; S7-V79 PolarHBondContact N-O 2.88Å; Q8-V79 WeakPolarHBondContact O-CG2 3.46Å; Q8-V79 PolarHBondContact O-N 2.91Å; V10-V79 HydrophobicContact CB-CG2 4.17Å; V10-V79 HydrophobicContact CG2-CG2 3.83Å; L76-V79 HydrophobicContact CB-CG2 3.94Å; N77-V79 PolarHBondContact O-N 2.87Å; V79-D83 HydrophobicContact CG1-CB 3.99Å
80	T	87.6	Confident	90.8	Very high	55 Å²	55	46.8 Å²	46.8	34%	0.337	25%	0.251	S	S	.	.			trans	-114	176	176.6	72.1	0	0	0	0	111.2	S78 E82 D83	S78-T80 PolarHBondContact O-N 3.13Å; T80-E82 PolarHBondContact O-N 2.74Å; T80-E82 PolarHBondContact OG1-N 2.9Å; T80-D83 PolarHBondContact N-OD2 2.81Å; T80-D83 WeakPolarHBondContact O-CB 3.35Å; T80-D83 PolarHBondContact O-N 2.79Å; T80-D83 VanDerWaalsContact O-N 3.09Å
81	T	84.9	Confident	90.5	Very high	105 Å²	105	47.2 Å²	47.2	64%	0.644	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-62.1	-23.6	174.2	48.4	0	0	0	0	113.2	D83 I84	T81-D83 PolarHBondContact O-N 3.47Å; T81-I84 HydrophobicContact CG2-CD1 4.37Å; T81-I84 WeakPolarHBondContact O-CB 3.37Å; T81-I84 WeakPolarHBondContact O-CG1 3.26Å; T81-I84 PolarHBondContact O-N 2.97Å
82	E	84.3	Confident	89.7	Confident	147 Å²	147	45.7 Å²	45.7	69%	0.687	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-71.6	-20.8	176.2	-60	177	174.9	0	0	112.5	T80 I84	T80-E82 PolarHBondContact O-N 2.74Å; T80-E82 PolarHBondContact OG1-N 2.9Å; E82-I84 VanDerWaalsContact C-N 3.27Å
83	D	86.6	Confident	88.4	Confident	5 Å²	5	48 Å²	48	3%	0.027	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-87	1.8	176.6	-58.5	-46.9	0	0	0	112	R32 R60 L76 V79 T80 T81 A85 Y87	R32-D83 IonicContact NH1-OD1 3.2Å; R32-D83 PolarHBondContact NH1-OD1 3.21Å; R60-D83 IonicContact CZ-OD1 2.92Å; R60-D83 IonicContact CZ-OD2 3.41Å; R60-D83 IonicContact NH1-OD1 3.18Å; R60-D83 IonicContact NH1-OD2 3.77Å; R60-D83 PolarHBondContact NH1-OD2 3.07Å; R60-D83 IonicContact NH2-OD1 3.66Å; R60-D83 PolarHBondContact NH2-OD1 2.88Å; R60-D83 IonicContact NH2-OD2 2.72Å; R60-D83 PolarHBondContact NH2-OD2 3.42Å; L76-D83 HydrophobicContact CD2-CB 4.07Å; V79-D83 HydrophobicContact CG1-CB 3.99Å; T80-D83 PolarHBondContact N-OD2 2.81Å; T80-D83 WeakPolarHBondContact O-CB 3.35Å; T80-D83 PolarHBondContact O-N 2.79Å; T80-D83 VanDerWaalsContact O-N 3.09Å; T81-D83 PolarHBondContact O-N 3.47Å; D83-A85 PolarHBondContact O-N 3.32Å; D83-Y87 WeakPolarHBondContact O-CE2 3.49Å; D83-Y87 PolarHBondContact O-OH 3.15Å
84	I	88.6	Confident	86.5	Confident	121 Å²	121	51.2 Å²	51.2	62%	0.621	27%	0.272	S	S	*	.			trans	-72.4	98.6	173.5	-60.9	173.8	0	0	0	108.7	T81 E82	T81-I84 HydrophobicContact CG2-CD1 4.37Å; T81-I84 WeakPolarHBondContact O-CB 3.37Å; T81-I84 WeakPolarHBondContact O-CG1 3.26Å; T81-I84 PolarHBondContact O-N 2.97Å; E82-I84 VanDerWaalsContact C-N 3.27Å
85	A	90.8	Very high	84.3	Confident	25 Å²	25	62 Å²	62	21%	0.207	31%	0.313	C	S	.	.	S	Bend	trans	-150.6	164.9	-177	0	0	0	0	0	110.9	R32 Q33 V34 D83 Y87	R32-A85 HydrophobicContact CB-CB 3.82Å; R32-A85 HydrophobicContact CG-CB 4.43Å; Q33-A85 WeakPolarHBondContact O-CA 3.5Å; Q33-A85 WeakPolarHBondContact O-CB 3.43Å; V34-A85 HydrophobicContact CG2-CB 4.1Å; D83-A85 PolarHBondContact O-N 3.32Å; A85-Y87 HydrophobicContact CB-CD2 4.46Å; A85-Y87 HydrophobicContact CB-CE2 4.02Å; A85-Y87 VanDerWaalsContact O-CD2 3.29Å; A85-Y87 WeakPolarHBondContact O-CD2 3.49Å
86	T	91	Very high	82.2	Confident	76 Å²	76	62 Å²	62	47%	0.466	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	128.1	162.8	-52.2	0	0	0	0	108.3	R32 Q33 Y88	R32-T86 CarbonylContact C-O 3.57Å; R32-T86 VanDerWaalsContact CA-O 3.25Å; R32-T86 WeakPolarHBondContact CA-O 3.39Å; Q33-T86 PolarHBondContact N-O 3.33Å; Q33-T86 PolarHBondContact O-N 2.95Å; T86-Y88 HydrophobicContact CG2-CD1 4.42Å; T86-Y88 HydrophobicContact CG2-CE1 3.66Å; T86-Y88 HydrophobicContact CG2-CE2 3.84Å; T86-Y88 WeakPolarHBondContact CG2-OH 3.36Å
87	Y	92.1	Very high	80.1	Confident	44 Å²	44	67.1 Å²	67.1	17%	0.173	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	136.7	-179.6	-71.2	-102.9	0	0	0	109.6	L12 I31 R32 I42 L74 L76 D83 A85	L12-Y87 HydrophobicContact CD1-CD1 3.42Å; L12-Y87 VanDerWaalsContact CD1-CD1 3.42Å; L12-Y87 HydrophobicContact CD1-CD2 3.85Å; L12-Y87 HydrophobicContact CD1-CE1 3.93Å; L12-Y87 HydrophobicContact CD1-CE2 4.34Å; L12-Y87 HydrophobicContact CD1-CG 3.37Å; I31-Y87 CarbonylContact O-C 3.57Å; I31-Y87 WeakPolarHBondContact O-CA 3.01Å; R32-Y87 HydrophobicContact CB-CD1 4.01Å; R32-Y87 HydrophobicContact CB-CE1 3.99Å; R32-Y87 HydrophobicContact CB-CG 4.39Å; I42-Y87 HydrophobicContact CD1-CD1 3.6Å; I42-Y87 HydrophobicContact CD1-CE1 3.48Å; I42-Y87 VanDerWaalsContact CD1-CE1 3.48Å; L74-Y87 HydrophobicContact CD2-CD1 3.89Å; L74-Y87 HydrophobicContact CD2-CE1 4.1Å; L76-Y87 HydrophobicContact CD1-CE1 4.41Å; L76-Y87 HydrophobicContact CD2-CE1 4.28Å; L76-Y87 VanDerWaalsContact CD2-OH 3.26Å; L76-Y87 WeakPolarHBondContact CD2-OH 3.36Å; D83-Y87 WeakPolarHBondContact O-CE2 3.49Å; D83-Y87 PolarHBondContact O-OH 3.15Å; A85-Y87 HydrophobicContact CB-CD2 4.46Å; A85-Y87 HydrophobicContact CB-CE2 4.02Å; A85-Y87 VanDerWaalsContact O-CD2 3.29Å; A85-Y87 WeakPolarHBondContact O-CD2 3.49Å
88	Y	91.1	Very high	78.2	Confident	55 Å²	55	75.3 Å²	75.3	22%	0.216	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	143.1	-177.5	-55.8	-78.4	0	0	0	110.3	W30 I31 Q33 L39 T86 W103	W30-Y88 WeakPolarHBondContact CA-O 3.37Å; I31-Y88 PolarHBondContact N-O 2.83Å; I31-Y88 PolarHBondContact O-N 2.96Å; Q33-Y88 HydrophobicContact CB-CE2 3.78Å; Q33-Y88 PolarHBondContact OE1-OH 2.84Å; L39-Y88 HydrophobicContact CD2-CD2 4.1Å; L39-Y88 HydrophobicContact CD2-CE2 4.03Å; T86-Y88 HydrophobicContact CG2-CD1 4.42Å; T86-Y88 HydrophobicContact CG2-CE1 3.66Å; T86-Y88 HydrophobicContact CG2-CE2 3.84Å; T86-Y88 WeakPolarHBondContact CG2-OH 3.36Å; Y88-W103 HydrophobicContact CD1-CE3 4.17Å; Y88-W103 HydrophobicContact CD2-CZ3 4.42Å; Y88-W103 HydrophobicContact CG-CE3 4.01Å; Y88-W103 HydrophobicContact CG-CZ3 4.09Å
89	C	91.4	Very high	76.4	Confident	6 Å²	6	75.2 Å²	75.2	4%	0.041	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.8	171.9	174.8	0	0	0	0	109.4	C14 N29 W30 G104	C14-C89 HydrophobicContact CB-CB 3.32Å; C14-C89 WeakPolarHBondContact CB-SG 3.5Å; C14-C89 WeakPolarHBondContact SG-CB 3.49Å; C14-C89 CovalentContact SG-SG 2.04Å; C14-C89 PolarHBondContact SG-SG 3.42Å; N29-C89 CarbonylContact O-C 3.55Å; N29-C89 WeakPolarHBondContact O-CA 3.39Å; W30-C89 HydrophobicContact CE3-CB 4.5Å; W30-C89 HydrophobicContact CH2-CB 4.44Å; W30-C89 HydrophobicContact CZ3-CB 4.3Å; C89-G104 PolarHBondContact N-O 2.93Å
90	A	89.1	Confident	74.8	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	126	-166.8	0	0	0	0	0	113.2	N29 I31 F100 Y102	N29-A90 HydrophobicContact CB-CB 4.47Å; N29-A90 WeakPolarHBondContact CB-O 3.46Å; N29-A90 PolarHBondContact N-O 3.09Å; N29-A90 PolarHBondContact ND2-O 3.13Å; N29-A90 PolarHBondContact O-N 2.87Å; I31-A90 HydrophobicContact CD1-CB 3.96Å; A90-F100 HydrophobicContact CB-CB 3.92Å; A90-F100 HydrophobicContact CB-CD1 3.42Å; A90-F100 VanDerWaalsContact CB-CD1 3.42Å; A90-F100 HydrophobicContact CB-CE1 4.12Å; A90-F100 HydrophobicContact CB-CG 3.79Å; A90-Y102 WeakPolarHBondContact CA-O 3.36Å
91	R	87.4	Confident	73.1	Confident	39 Å²	39	78 Å²	78	15%	0.147	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.9	177.2	-167.3	-178.2	64.9	134.4	-2.3	111.6	H26 W27 W28 F100 A101 Y102	H26-R91 HydrophobicContact CB-CG 4.05Å; H26-R91 PolarHBondContact CD2-NH1 2.72Å; H26-R91 PolarHBondContact CE1-NH1 3.01Å; H26-R91 PolarHBondContact NE2-NH1 2.87Å; W27-R91 CarbonylContact O-C 3.55Å; W27-R91 WeakPolarHBondContact O-CA 3.3Å; W28-R91 HydrophobicContact CD2-CB 4.43Å; W28-R91 HydrophobicContact CD2-CG 4.34Å; W28-R91 HydrophobicContact CE3-CB 3.85Å; W28-R91 HydrophobicContact CE3-CG 4.23Å; W28-R91 HydrophobicContact CH2-CB 3.89Å; W28-R91 HydrophobicContact CH2-CG 3.87Å; W28-R91 HydrophobicContact CZ2-CB 4.44Å; W28-R91 HydrophobicContact CZ2-CG 3.96Å; W28-R91 HydrophobicContact CZ3-CB 3.57Å; W28-R91 HydrophobicContact CZ3-CG 4.02Å; R91-F100 VanDerWaalsContact O-CA 3.28Å; R91-F100 WeakPolarHBondContact O-CA 3.49Å; R91-A101 PolarHBondContact O-N 3.21Å; R91-A101 VanDerWaalsContact O-N 3.1Å; R91-Y102 HydrophobicContact CB-CD2 4.19Å
92	G	78.1	Confident	71.6	Confident	9 Å²	9	78.9 Å²	78.9	9%	0.093	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	161.1	170.9	0	0	0	0	0	113.3	H26 W27	H26-G92 VanDerWaalsContact CA-O 3.29Å; H26-G92 WeakPolarHBondContact CA-O 3.2Å; H26-G92 WeakPolarHBondContact CB-O 3.48Å; W27-G92 PolarHBondContact N-O 2.93Å; W27-G92 PolarHBondContact O-N 3.09Å
93	D	67.7	Low	70.1	Confident	48 Å²	48	78 Å²	78	26%	0.257	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	139.4	179.9	-170	-34.6	0	0	0	111.1	H26 W27 R95 T96	H26-D93 IonicContact CE1-OD2 3.59Å; H26-D93 PolarHBondContact CE1-OD2 2.93Å; H26-D93 IonicContact ND1-OD2 3.67Å; W27-D93 WeakPolarHBondContact CZ3-O 3.43Å; D93-R95 PolarHBondContact O-N 3.19Å; D93-R95 PolarHBondContact OD1-N 2.76Å; D93-T96 PolarHBondContact O-N 3.24Å
94	F	54.1	Low	68.3	Low	110 Å²	110	82.6 Å²	82.6	48%	0.482	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-28.4	175.1	-84.3	-97.5	0	0	0	114.2	N25 W27	N25-F94 HydrophobicContact CB-CD2 4.17Å; N25-F94 WeakPolarHBondContact ND2-CD2 3.45Å; N25-F94 WeakPolarHBondContact ND2-CE2 3.28Å; N25-F94 WeakPolarHBondContact ND2-CG 3.43Å; N25-F94 WeakPolarHBondContact O-CD2 3.49Å; N25-F94 WeakPolarHBondContact OD1-CD2 3.24Å; N25-F94 WeakPolarHBondContact OD1-CE2 3.42Å; W27-F94 AromaticContact CD2-CD2 3.93Å; W27-F94 HydrophobicContact CD2-CD2 3.93Å; W27-F94 AromaticContact CD2-CE2 3.91Å; W27-F94 HydrophobicContact CD2-CE2 3.91Å; W27-F94 AromaticContact CE2-CD2 3.32Å; W27-F94 AromaticContact CE2-CE1 3.83Å; W27-F94 AromaticContact CE2-CE2 3.03Å; W27-F94 AromaticContact CE2-CG 3.89Å; W27-F94 AromaticContact CE2-CZ 3.31Å; W27-F94 HydrophobicContact CE3-CD2 4.22Å; W27-F94 HydrophobicContact CH2-CB 3.82Å; W27-F94 AromaticContact CH2-CD1 3.43Å; W27-F94 HydrophobicContact CH2-CD1 3.43Å; W27-F94 VanDerWaalsContact CH2-CD1 3.43Å; W27-F94 AromaticContact CH2-CD2 3.56Å; W27-F94 HydrophobicContact CH2-CD2 3.56Å; W27-F94 AromaticContact CH2-CE1 3.91Å; W27-F94 HydrophobicContact CH2-CE1 3.91Å; W27-F94 HydrophobicContact CH2-CE2 4.05Å; W27-F94 AromaticContact CH2-CG 3.26Å; W27-F94 HydrophobicContact CH2-CG 3.26Å; W27-F94 HydrophobicContact CH2-CZ 4.2Å; W27-F94 HydrophobicContact CZ2-CB 4.26Å; W27-F94 AromaticContact CZ2-CD1 3.15Å; W27-F94 HydrophobicContact CZ2-CD1 3.15Å; W27-F94 AromaticContact CZ2-CD2 3.19Å; W27-F94 HydrophobicContact CZ2-CD2 3.19Å; W27-F94 AromaticContact CZ2-CE1 3.11Å; W27-F94 HydrophobicContact CZ2-CE1 3.11Å; W27-F94 AromaticContact CZ2-CE2 3.18Å; W27-F94 HydrophobicContact CZ2-CE2 3.18Å; W27-F94 AromaticContact CZ2-CG 3.22Å; W27-F94 HydrophobicContact CZ2-CG 3.22Å; W27-F94 AromaticContact CZ2-CZ 3.14Å; W27-F94 HydrophobicContact CZ2-CZ 3.14Å; W27-F94 VanDerWaalsContact CZ3-CA 3.44Å; W27-F94 HydrophobicContact CZ3-CB 4.27Å; W27-F94 HydrophobicContact CZ3-CD2 4.05Å; W27-F94 HydrophobicContact CZ3-CG 4Å; W27-F94 AromaticContact NE1-CD2 3.84Å; W27-F94 AromaticContact NE1-CE2 3.05Å; W27-F94 AromaticContact NE1-CZ 3.22Å
95	R	50.2	Low	67.3	Low	228 Å²	228	80.7 Å²	80.7	86%	0.86	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-19.9	-172.5	-63.2	-174.5	-166.9	-118.2	2.2	114.3	D93	D93-R95 PolarHBondContact O-N 3.19Å; D93-R95 PolarHBondContact OD1-N 2.76Å
96	T	49.6	Very low	66	Low	78 Å²	78	83.6 Å²	83.6	48%	0.479	44%	0.441	S	S	.	.	B	Isolated β-bridge	trans	-138.1	103.5	-176.6	51.4	0	0	0	0	107.6	D93 R98	D93-T96 PolarHBondContact O-N 3.24Å; T96-R98 PolarHBondContact O-N 3.43Å
97	A	49.8	Very low	64.7	Low	112 Å²	112	84 Å²	84	93%	0.926	44%	0.44	S	S	*	.	S	Bend	trans	-58.8	16.4	172.8	0	0	0	0	0	114.6
98	R	50.6	Low	63	Low	225 Å²	225	86.4 Å²	86.4	85%	0.849	46%	0.455	S	S	*	.	S	Bend	trans	-155.1	94.5	-172.7	-63.2	-173.9	177.8	158.7	-0.7	109.8	T96	T96-R98 PolarHBondContact O-N 3.43Å
99	A	50.7	Low	61.3	Low	71 Å²	71	88.3 Å²	88.3	59%	0.587	47%	0.47	S	S	*	.			trans	159.7	103	143.2	0	0	0	0	0	108.8	A101	A99-A101 PolarHBondContact O-N 2.59Å; A99-A101 VanDerWaalsContact O-N 3.17Å
100	F	54.7	Low	59.3	Low	82 Å²	82	93.8 Å²	93.8	36%	0.36	50%	0.499	S	S	.	.			trans	-69.8	106.7	164.3	-68.9	-65.5	0	0	0	108	N29 I31 A90 R91 W103	N29-F100 HydrophobicContact CB-CE1 3.92Å; I31-F100 HydrophobicContact CD1-CD2 4.3Å; I31-F100 HydrophobicContact CD1-CE1 4.18Å; I31-F100 HydrophobicContact CD1-CE2 3.95Å; I31-F100 HydrophobicContact CD1-CZ 3.88Å; A90-F100 HydrophobicContact CB-CB 3.92Å; A90-F100 HydrophobicContact CB-CD1 3.42Å; A90-F100 VanDerWaalsContact CB-CD1 3.42Å; A90-F100 HydrophobicContact CB-CE1 4.12Å; A90-F100 HydrophobicContact CB-CG 3.79Å; R91-F100 VanDerWaalsContact O-CA 3.28Å; R91-F100 WeakPolarHBondContact O-CA 3.49Å; F100-W103 HydrophobicContact CB-CH2 4.35Å; F100-W103 HydrophobicContact CB-CZ2 3.47Å; F100-W103 VanDerWaalsContact CB-CZ2 3.47Å; F100-W103 HydrophobicContact CD2-CH2 4.06Å; F100-W103 AromaticContact CD2-CZ2 3.71Å; F100-W103 HydrophobicContact CD2-CZ2 3.71Å; F100-W103 HydrophobicContact CG-CH2 4.37Å; F100-W103 AromaticContact CG-CZ2 3.88Å; F100-W103 HydrophobicContact CG-CZ2 3.88Å; F100-W103 PolarHBondContact O-NE1 3.48Å; F100-W103 VanDerWaalsContact O-NE1 3.14Å
101	A	51.7	Low	57.2	Low	53 Å²	53	100.5 Å²	100.5	44%	0.438	54%	0.535	S	S	.	.			trans	-82.8	-13.2	-166.6	0	0	0	0	0	114.4	R91 A99	R91-A101 PolarHBondContact O-N 3.21Å; R91-A101 VanDerWaalsContact O-N 3.1Å; A99-A101 PolarHBondContact O-N 2.59Å; A99-A101 VanDerWaalsContact O-N 3.17Å
102	Y	53.3	Low	54.8	Low	123 Å²	123	105.2 Å²	105.2	48%	0.482	56%	0.564	S	S	.	*			trans	-140.1	132.2	179.2	-65.2	-73.6	0	0	0	108.3	A90 R91	A90-Y102 WeakPolarHBondContact CA-O 3.36Å; R91-Y102 HydrophobicContact CB-CD2 4.19Å
103	W	53.9	Low	52.9	Low	128 Å²	128	113.3 Å²	113.3	49%	0.485	60%	0.604	S	S	.	*	B	Isolated β-bridge	trans	-127	128.1	174.5	-65.3	86.6	0	0	0	107.6	I31 L39 Y88 F100	I31-W103 HydrophobicContact CD1-CH2 3.84Å; I31-W103 HydrophobicContact CD1-CZ3 4.07Å; L39-W103 HydrophobicContact CD1-CH2 4.18Å; Y88-W103 HydrophobicContact CD1-CE3 4.17Å; Y88-W103 HydrophobicContact CD2-CZ3 4.42Å; Y88-W103 HydrophobicContact CG-CE3 4.01Å; Y88-W103 HydrophobicContact CG-CZ3 4.09Å; F100-W103 HydrophobicContact CB-CH2 4.35Å; F100-W103 HydrophobicContact CB-CZ2 3.47Å; F100-W103 VanDerWaalsContact CB-CZ2 3.47Å; F100-W103 HydrophobicContact CD2-CH2 4.06Å; F100-W103 AromaticContact CD2-CZ2 3.71Å; F100-W103 HydrophobicContact CD2-CZ2 3.71Å; F100-W103 HydrophobicContact CG-CH2 4.37Å; F100-W103 AromaticContact CG-CZ2 3.88Å; F100-W103 HydrophobicContact CG-CZ2 3.88Å; F100-W103 PolarHBondContact O-NE1 3.48Å; F100-W103 VanDerWaalsContact O-NE1 3.14Å
104	G	48.3	Very low	51.6	Low	101 Å²	101	119.2 Å²	119.2	100%	1.041	64%	0.635	S	S	*	*			trans	-154.3	0	174.6	0	0	0	0	0	109.3	C89	C89-G104 PolarHBondContact N-O 2.93Å

Retrieved 104 of 104 residues in 28.4 ms (Link to these results)

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