X5J4W4_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4W4, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 106 aa.

						>X5J4W4_MOUSE|X5J4W4
PDLVKPFQSLSLTCTVTGYSITSGYSWHWIRQFPGNKLEWMGYIHYSGSTNYNPSLKSRISITRDTSKNQFLLQLNSVTTEDTATYYCARRGYGSSYAFAYWGQGT
					

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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	44.8	Very low	63.8	Low	178 Å²	178	117.9 Å²	117.9	100%	1.156	64%	0.644	S	S	*	*				0	98	0	9.3	13.3	0	0	0	109	L3	P1-L3 PolarHBondContact O-N 3.23Å
2	D	46.1	Very low	66.1	Low	165 Å²	165	108.6 Å²	108.6	88%	0.882	59%	0.593	S	S	*	*			trans	-70.9	119.9	-178.5	-102.6	-30.4	0	0	0	110.4	V4	D2-V4 PolarHBondContact O-N 3.32Å
3	L	53.5	Low	68.1	Low	168 Å²	168	103.5 Å²	103.5	88%	0.88	57%	0.568	S	S	*	*			trans	-88.3	89.9	-179.3	-158.4	89.3	0	0	0	107.8	P1 K5	P1-L3 PolarHBondContact O-N 3.23Å; L3-K5 PolarHBondContact O-N 3.21Å
4	V	55.2	Low	69.7	Low	67 Å²	67	96.4 Å²	96.4	41%	0.406	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-70.1	126.7	-178.3	-173.4	0	0	0	0	109.8	D2 Q8	D2-V4 PolarHBondContact O-N 3.32Å; V4-Q8 HydrophobicContact CG1-CB 3.73Å
5	K	51.5	Low	71	Confident	156 Å²	156	94.8 Å²	94.8	68%	0.678	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-76.8	145	175.2	-78.1	176.9	179	176.1	0	110	L3 Q8	L3-K5 PolarHBondContact O-N 3.21Å; K5-Q8 PolarHBondContact O-N 3.11Å
6	P	49.4	Very low	72	Confident	98 Å²	98	89.2 Å²	89.2	64%	0.636	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	142.1	176	23.5	-31.8	0	0	0	110.2
7	F	61.6	Low	72.7	Confident	191 Å²	191	89.6 Å²	89.6	84%	0.838	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	1.7	-171.4	-60	-84.1	0	0	0	117.8
8	Q	76.4	Confident	73.3	Confident	104 Å²	104	88.9 Å²	88.9	49%	0.486	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-81.3	156.1	168.2	-80.6	176.3	-26.7	0	0	112	V4 K5 V78	V4-Q8 HydrophobicContact CG1-CB 3.73Å; K5-Q8 PolarHBondContact O-N 3.11Å; Q8-V78 VanDerWaalsContact O-CG2 3.31Å; Q8-V78 WeakPolarHBondContact O-CG2 3.4Å; Q8-V78 PolarHBondContact O-N 3.34Å
9	S	84.7	Confident	73.7	Confident	70 Å²	70	89.7 Å²	89.7	49%	0.49	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-96.4	133.1	170.3	64.5	0	0	0	0	109	Q74 L75 N76	S9-Q74 VanDerWaalsContact CB-NE2 3.26Å; S9-Q74 PolarHBondContact OG-NE2 2.85Å; S9-L75 CarbonylContact C-O 3.6Å; S9-L75 VanDerWaalsContact CA-O 3.29Å; S9-L75 WeakPolarHBondContact CA-O 3.37Å; S9-N76 WeakPolarHBondContact CB-OD1 3.28Å
10	L	87.7	Confident	74.3	Confident	39 Å²	39	87.6 Å²	87.6	20%	0.204	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.9	176.4	175.7	66.7	0	0	0	108.4	L12 Q74 L75 V78 Y86	L10-L12 HydrophobicContact CD1-CD2 4.18Å; L10-L12 HydrophobicContact CD1-CG 4.4Å; L10-L12 HydrophobicContact CD2-CD1 3.94Å; L10-L12 HydrophobicContact CD2-CD2 4.3Å; L10-L12 HydrophobicContact CD2-CG 4.09Å; L10-L12 HydrophobicContact CG-CD1 4.33Å; L10-L12 HydrophobicContact CG-CD2 4.26Å; L10-L12 HydrophobicContact CG-CG 3.98Å; L10-Q74 CarbonylContact O-C 3.43Å; L10-Q74 WeakPolarHBondContact O-CA 3.42Å; L10-Q74 PolarHBondContact O-NE2 2.75Å; L10-L75 HydrophobicContact CB-CB 4.43Å; L10-L75 PolarHBondContact N-O 2.96Å; L10-L75 PolarHBondContact O-N 3.29Å; L10-V78 HydrophobicContact CB-CG2 3.72Å; L10-Y86 HydrophobicContact CD2-CE2 4.04Å
11	S	90.9	Very high	74.9	Confident	61 Å²	61	83.5 Å²	83.5	43%	0.427	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	117.8	174.1	-155.4	0	0	0	0	108.8	L73 Q74	S11-L73 WeakPolarHBondContact CA-O 3.3Å; S11-Q74 PolarHBondContact OG-OE1 3.16Å
12	L	91	Very high	77	Confident	6 Å²	6	78.1 Å²	78.1	3%	0.031	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.4	179.2	-63.6	164.3	0	0	0	108.9	L10 W29 L72 L73 Y86	L10-L12 HydrophobicContact CD1-CD2 4.18Å; L10-L12 HydrophobicContact CD1-CG 4.4Å; L10-L12 HydrophobicContact CD2-CD1 3.94Å; L10-L12 HydrophobicContact CD2-CD2 4.3Å; L10-L12 HydrophobicContact CD2-CG 4.09Å; L10-L12 HydrophobicContact CG-CD1 4.33Å; L10-L12 HydrophobicContact CG-CD2 4.26Å; L10-L12 HydrophobicContact CG-CG 3.98Å; L12-W29 HydrophobicContact CB-CH2 3.57Å; L12-W29 HydrophobicContact CB-CZ2 4.22Å; L12-W29 HydrophobicContact CB-CZ3 3.92Å; L12-W29 HydrophobicContact CD1-CZ3 4.26Å; L12-L72 CarbonylContact O-C 3.59Å; L12-L72 VanDerWaalsContact O-CA 3.24Å; L12-L72 WeakPolarHBondContact O-CA 3.49Å; L12-L73 HydrophobicContact CB-CB 4.39Å; L12-L73 HydrophobicContact CD1-CD2 3.99Å; L12-L73 PolarHBondContact N-O 2.87Å; L12-L73 PolarHBondContact O-N 2.83Å; L12-Y86 HydrophobicContact CD1-CD1 3.42Å; L12-Y86 VanDerWaalsContact CD1-CD1 3.42Å; L12-Y86 HydrophobicContact CD1-CD2 3.86Å; L12-Y86 HydrophobicContact CD1-CE1 4.02Å; L12-Y86 HydrophobicContact CD1-CE2 4.44Å; L12-Y86 HydrophobicContact CD1-CG 3.32Å
13	T	92.3	Very high	78.8	Confident	43 Å²	43	72.4 Å²	72.4	26%	0.264	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131.1	178.8	-60.2	0	0	0	0	110.2	Q70 L72	T13-Q70 HydrophobicContact CG2-CB 4.1Å; T13-Q70 HydrophobicContact CG2-CG 3.91Å; T13-L72 HydrophobicContact CG2-CG 4.37Å
14	C	90.2	Very high	80.2	Confident	3 Å²	3	65.9 Å²	65.9	2%	0.02	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.9	170	-162.5	0	0	0	0	110.5	W29 Q70 F71 C88 W102	C14-W29 HydrophobicContact CB-CH2 3.95Å; C14-W29 HydrophobicContact CB-CZ2 3.87Å; C14-Q70 VanDerWaalsContact O-CA 3.25Å; C14-Q70 WeakPolarHBondContact O-CA 3.17Å; C14-F71 HydrophobicContact CB-CD1 4Å; C14-F71 HydrophobicContact CB-CD2 4.2Å; C14-F71 HydrophobicContact CB-CE1 3.58Å; C14-F71 HydrophobicContact CB-CE2 3.8Å; C14-F71 HydrophobicContact CB-CG 4.31Å; C14-F71 HydrophobicContact CB-CZ 3.5Å; C14-F71 PolarHBondContact N-O 3.31Å; C14-F71 PolarHBondContact O-N 3.32Å; C14-C88 HydrophobicContact CB-CB 3.6Å; C14-C88 WeakPolarHBondContact CB-SG 3.34Å; C14-C88 WeakPolarHBondContact SG-CB 3.25Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.5Å; C14-W102 PolarHBondContact SG-O 2.83Å
15	T	90.4	Very high	81.7	Confident	73 Å²	73	65.8 Å²	65.8	45%	0.448	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	121.6	176.4	-56.7	0	0	0	0	109.8	Q70	T15-Q70 HydrophobicContact CG2-CG 4.12Å; T15-Q70 WeakPolarHBondContact OG1-CG 2.9Å; T15-Q70 PolarHBondContact OG1-NE2 3.24Å
16	V	86.1	Confident	83.5	Confident	5 Å²	5	59.2 Å²	59.2	3%	0.03	35%	0.354	C	S	.	.			trans	-90.4	132.6	177.1	-179.6	0	0	0	0	109.1	Y19 I21 W27 N69 F71	V16-Y19 WeakPolarHBondContact CG1-O 3.24Å; V16-I21 HydrophobicContact CB-CG2 3.85Å; V16-I21 HydrophobicContact CG1-CG2 4.48Å; V16-I21 HydrophobicContact CG2-CG2 3.54Å; V16-W27 HydrophobicContact CB-CH2 4.35Å; V16-W27 HydrophobicContact CB-CZ3 4.43Å; V16-W27 HydrophobicContact CG1-CH2 3.54Å; V16-W27 HydrophobicContact CG1-CZ2 4.31Å; V16-W27 HydrophobicContact CG1-CZ3 3.91Å; V16-W27 HydrophobicContact CG2-CD2 4.45Å; V16-W27 HydrophobicContact CG2-CE3 3.9Å; V16-W27 HydrophobicContact CG2-CH2 3.9Å; V16-W27 HydrophobicContact CG2-CZ2 4.47Å; V16-W27 HydrophobicContact CG2-CZ3 3.58Å; V16-N69 PolarHBondContact N-O 2.77Å; V16-N69 PolarHBondContact O-ND2 2.87Å; V16-F71 HydrophobicContact CG2-CD1 4.02Å; V16-F71 HydrophobicContact CG2-CE1 3.7Å
17	T	84.6	Confident	85.4	Confident	96 Å²	96	54.7 Å²	54.7	59%	0.589	32%	0.324	S	S	*	.			trans	-120.5	145.3	175	54.6	0	0	0	0	109.4	Y19 W102	T17-Y19 PolarHBondContact O-N 2.87Å; T17-Y19 VanDerWaalsContact O-N 3.14Å; T17-W102 WeakPolarHBondContact O-CZ3 3.37Å
18	G	82.4	Confident	86.8	Confident	78 Å²	78	46 Å²	46	80%	0.804	29%	0.286	S	S	*	.	S	Bend	trans	74.3	-5.5	179.5	0	0	0	0	0	116.4
19	Y	81.1	Confident	87.6	Confident	103 Å²	103	41.1 Å²	41.1	40%	0.404	26%	0.263	S	S	.	.	S	Bend	trans	-142.6	155.2	176.9	-67.4	-83.3	0	0	0	110.9	V16 T17 Y25 N69 W102	V16-Y19 WeakPolarHBondContact CG1-O 3.24Å; T17-Y19 PolarHBondContact O-N 2.87Å; T17-Y19 VanDerWaalsContact O-N 3.14Å; Y19-Y25 HydrophobicContact CD1-CE2 4.26Å; Y19-N69 PolarHBondContact O-ND2 2.86Å; Y19-N69 PolarHBondContact O-OD1 3.34Å; Y19-W102 AromaticContact CD2-CH2 3.49Å; Y19-W102 HydrophobicContact CD2-CH2 3.49Å; Y19-W102 VanDerWaalsContact CD2-CH2 3.49Å; Y19-W102 AromaticContact CD2-CZ2 3.77Å; Y19-W102 HydrophobicContact CD2-CZ2 3.77Å; Y19-W102 HydrophobicContact CD2-CZ3 4.4Å; Y19-W102 AromaticContact CE2-CH2 3.54Å; Y19-W102 HydrophobicContact CE2-CH2 3.54Å; Y19-W102 AromaticContact CE2-CZ2 3.77Å; Y19-W102 HydrophobicContact CE2-CZ2 3.77Å
20	S	86.5	Confident	87.9	Confident	47 Å²	47	38.7 Å²	38.7	33%	0.329	24%	0.244	S	C	.	.			trans	-91.3	134.3	172.9	174.2	0	0	0	0	111.5	T22 S23 N69	S20-T22 PolarHBondContact O-N 3.03Å; S20-T22 VanDerWaalsContact O-N 3.09Å; S20-T22 PolarHBondContact OG-N 2.76Å; S20-T22 PolarHBondContact OG-OG1 2.89Å; S20-S23 WeakPolarHBondContact O-CB 3.27Å; S20-S23 PolarHBondContact O-N 3.05Å; S20-S23 PolarHBondContact O-OG 2.84Å; S20-N69 WeakPolarHBondContact CA-OD1 3.29Å
21	I	87.2	Confident	88.1	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.01	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-14.7	174.3	65.1	173.2	0	0	0	113.8	V16 W27 R64 T66 N69 Q70 F71	V16-I21 HydrophobicContact CB-CG2 3.85Å; V16-I21 HydrophobicContact CG1-CG2 4.48Å; V16-I21 HydrophobicContact CG2-CG2 3.54Å; I21-W27 VanDerWaalsContact CA-NE1 3.28Å; I21-W27 HydrophobicContact CB-CZ2 4.31Å; I21-W27 HydrophobicContact CG2-CD2 4.36Å; I21-W27 HydrophobicContact CG2-CZ2 4.11Å; I21-W27 PolarHBondContact O-NE1 3.43Å; I21-R64 HydrophobicContact CD1-CB 3.93Å; I21-T66 HydrophobicContact CD1-CG2 4.12Å; I21-T66 HydrophobicContact CG1-CG2 4.33Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.35Å; I21-N69 PolarHBondContact N-OD1 2.82Å; I21-Q70 WeakPolarHBondContact CD1-O 3.32Å; I21-F71 HydrophobicContact CG2-CD1 4.34Å
22	T	88.7	Confident	88.1	Confident	65 Å²	65	36.6 Å²	36.6	40%	0.399	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	2.6	176.8	62	0	0	0	0	113.4	S20 G24 T66	S20-T22 PolarHBondContact O-N 3.03Å; S20-T22 VanDerWaalsContact O-N 3.09Å; S20-T22 PolarHBondContact OG-N 2.76Å; S20-T22 PolarHBondContact OG-OG1 2.89Å; T22-G24 PolarHBondContact O-N 2.65Å; T22-T66 HydrophobicContact CG2-CG2 3.5Å; T22-T66 VanDerWaalsContact CG2-CG2 3.5Å
23	S	83.6	Confident	88	Confident	46 Å²	46	38.2 Å²	38.2	32%	0.322	23%	0.233	S	C	.	.	S	Bend	trans	-93.4	75.1	-174.4	62	0	0	0	0	113.7	S20 Y25	S20-S23 WeakPolarHBondContact O-CB 3.27Å; S20-S23 PolarHBondContact O-N 3.05Å; S20-S23 PolarHBondContact O-OG 2.84Å; S23-Y25 WeakPolarHBondContact O-CD2 3.33Å; S23-Y25 WeakPolarHBondContact O-CE2 3.43Å; S23-Y25 PolarHBondContact O-N 2.7Å; S23-Y25 WeakPolarHBondContact OG-CD2 3.45Å
24	G	83	Confident	87.8	Confident	30 Å²	30	41.6 Å²	41.6	31%	0.309	26%	0.256	S	S	.	.	S	Bend	trans	65.1	4.2	165.3	0	0	0	0	0	117.4	T22	T22-G24 PolarHBondContact O-N 2.65Å
25	Y	85.9	Confident	87.8	Confident	65 Å²	65	45 Å²	45	26%	0.255	29%	0.291	S	S	.	.			trans	-107.7	158.3	-175.6	-61.8	-66.6	0	0	0	112.7	Y19 S23 W27 Y46 R90 R91 G92	Y19-Y25 HydrophobicContact CD1-CE2 4.26Å; S23-Y25 WeakPolarHBondContact O-CD2 3.33Å; S23-Y25 WeakPolarHBondContact O-CE2 3.43Å; S23-Y25 PolarHBondContact O-N 2.7Å; S23-Y25 WeakPolarHBondContact OG-CD2 3.45Å; Y25-W27 HydrophobicContact CD2-CZ2 4.24Å; Y25-W27 HydrophobicContact CG-CZ2 4.49Å; Y25-Y46 WeakPolarHBondContact O-CB 3.28Å; Y25-Y46 PolarHBondContact O-N 2.82Å; Y25-R90 HydrophobicContact CD1-CG 3.94Å; Y25-R90 HydrophobicContact CD2-CG 4.5Å; Y25-R90 HydrophobicContact CG-CG 3.84Å; Y25-R91 WeakPolarHBondContact CA-O 3.31Å; Y25-G92 VanDerWaalsContact CD1-CA 3.49Å
26	S	88.8	Confident	87.4	Confident	19 Å²	19	47.6 Å²	47.6	13%	0.133	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	140.6	161	-62.2	0	0	0	0	110.5	H28 H45 R90 R91	S26-H28 VanDerWaalsContact CB-NE2 3.28Å; S26-H28 WeakPolarHBondContact CB-NE2 2.96Å; S26-H45 PolarHBondContact OG-CD2 3.38Å; S26-H45 VanDerWaalsContact OG-CD2 3.28Å; S26-R90 WeakPolarHBondContact O-CA 3.24Å; S26-R91 PolarHBondContact N-O 3.11Å; S26-R91 PolarHBondContact O-N 3.45Å
27	W	90.1	Very high	87.5	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.008	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118.2	177.3	-54.9	98.1	0	0	0	109.5	V16 I21 Y25 Y43 I44 F71 A89 R90	V16-W27 HydrophobicContact CB-CH2 4.35Å; V16-W27 HydrophobicContact CB-CZ3 4.43Å; V16-W27 HydrophobicContact CG1-CH2 3.54Å; V16-W27 HydrophobicContact CG1-CZ2 4.31Å; V16-W27 HydrophobicContact CG1-CZ3 3.91Å; V16-W27 HydrophobicContact CG2-CD2 4.45Å; V16-W27 HydrophobicContact CG2-CE3 3.9Å; V16-W27 HydrophobicContact CG2-CH2 3.9Å; V16-W27 HydrophobicContact CG2-CZ2 4.47Å; V16-W27 HydrophobicContact CG2-CZ3 3.58Å; I21-W27 VanDerWaalsContact CA-NE1 3.28Å; I21-W27 HydrophobicContact CB-CZ2 4.31Å; I21-W27 HydrophobicContact CG2-CD2 4.36Å; I21-W27 HydrophobicContact CG2-CZ2 4.11Å; I21-W27 PolarHBondContact O-NE1 3.43Å; Y25-W27 HydrophobicContact CD2-CZ2 4.24Å; Y25-W27 HydrophobicContact CG-CZ2 4.49Å; W27-Y43 CarbonylContact O-C 3.57Å; W27-Y43 WeakPolarHBondContact O-CA 2.97Å; W27-Y43 VanDerWaalsContact O-CB 3.27Å; W27-Y43 WeakPolarHBondContact O-CB 3.3Å; W27-I44 HydrophobicContact CB-CG2 4.1Å; W27-I44 PolarHBondContact N-O 2.03Å; W27-I44 PolarHBondContact O-N 3.29Å; W27-F71 HydrophobicContact CB-CD1 3.91Å; W27-F71 HydrophobicContact CB-CD2 4Å; W27-F71 HydrophobicContact CB-CE1 3.79Å; W27-F71 HydrophobicContact CB-CE2 3.9Å; W27-F71 HydrophobicContact CB-CG 4Å; W27-F71 HydrophobicContact CB-CZ 3.76Å; W27-F71 HydrophobicContact CD2-CD1 4.32Å; W27-F71 AromaticContact CD2-CE1 4Å; W27-F71 HydrophobicContact CD2-CE1 4Å; W27-F71 HydrophobicContact CE3-CD1 4.43Å; W27-F71 AromaticContact CE3-CE1 3.69Å; W27-F71 HydrophobicContact CE3-CE1 3.69Å; W27-F71 HydrophobicContact CE3-CZ 4.21Å; W27-F71 HydrophobicContact CG-CD1 4.08Å; W27-F71 HydrophobicContact CG-CE1 4.04Å; W27-F71 HydrophobicContact CG-CZ 4.46Å; W27-A89 CarbonylContact C-O 3.56Å; W27-A89 WeakPolarHBondContact CA-O 3.43Å; W27-R90 HydrophobicContact CE3-CB 3.92Å; W27-R90 HydrophobicContact CE3-CG 4Å; W27-R90 HydrophobicContact CH2-CB 4.28Å; W27-R90 VanDerWaalsContact CH2-CD 3.44Å; W27-R90 HydrophobicContact CH2-CG 3.73Å; W27-R90 HydrophobicContact CZ2-CG 4.28Å; W27-R90 HydrophobicContact CZ3-CB 3.61Å; W27-R90 HydrophobicContact CZ3-CG 3.57Å
28	H	91.6	Very high	87.8	Confident	10 Å²	10	54.8 Å²	54.8	5%	0.046	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	145.5	-170.1	-67.1	-106.5	0	0	0	110.6	S26 W40 G42 Y43 C88 A89	S26-H28 VanDerWaalsContact CB-NE2 3.28Å; S26-H28 WeakPolarHBondContact CB-NE2 2.96Å; H28-W40 AromaticContact ND1-CD1 3.86Å; H28-W40 AromaticContact ND1-NE1 3.25Å; H28-W40 PolarHBondContact ND1-NE1 2.99Å; H28-G42 WeakPolarHBondContact CA-O 3.43Å; H28-Y43 AromaticContact CE1-CD1 3.61Å; H28-Y43 AromaticContact CE1-CG 3.79Å; H28-Y43 WeakPolarHBondContact ND1-CB 3.44Å; H28-C88 WeakPolarHBondContact O-CA 3.44Å; H28-A89 HydrophobicContact CB-CB 4.31Å; H28-A89 PolarHBondContact N-O 3.32Å; H28-A89 PolarHBondContact O-N 2.86Å
29	W	92.8	Very high	88.2	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.7	165.9	-77.7	102	0	0	0	110	L12 C14 M41 G42 F71 L73	L12-W29 HydrophobicContact CB-CH2 3.57Å; L12-W29 HydrophobicContact CB-CZ2 4.22Å; L12-W29 HydrophobicContact CB-CZ3 3.92Å; L12-W29 HydrophobicContact CD1-CZ3 4.26Å; C14-W29 HydrophobicContact CB-CH2 3.95Å; C14-W29 HydrophobicContact CB-CZ2 3.87Å; W29-M41 HydrophobicContact CB-CB 4.18Å; W29-M41 PolarHBondContact O-N 3.36Å; W29-G42 PolarHBondContact N-O 3.46Å; W29-F71 AromaticContact CD1-CD2 3.99Å; W29-F71 AromaticContact CD1-CE2 3.96Å; W29-F71 HydrophobicContact CD2-CE2 4.33Å; W29-F71 AromaticContact CE2-CD2 3.82Å; W29-F71 AromaticContact CE2-CE2 3.71Å; W29-F71 HydrophobicContact CG-CE2 4.48Å; W29-F71 HydrophobicContact CZ2-CD2 4.17Å; W29-F71 HydrophobicContact CZ2-CE2 4.12Å; W29-F71 AromaticContact NE1-CD2 3.27Å; W29-F71 VanDerWaalsContact NE1-CD2 3.27Å; W29-F71 AromaticContact NE1-CE2 3.47Å; W29-L73 HydrophobicContact CB-CD2 4.09Å; W29-L73 HydrophobicContact CD2-CB 3.66Å; W29-L73 HydrophobicContact CD2-CD2 3.85Å; W29-L73 HydrophobicContact CD2-CG 4.36Å; W29-L73 VanDerWaalsContact CE2-CB 3.41Å; W29-L73 HydrophobicContact CE3-CB 4.3Å; W29-L73 HydrophobicContact CE3-CD2 3.97Å; W29-L73 HydrophobicContact CG-CB 3.88Å; W29-L73 HydrophobicContact CG-CD2 3.91Å; W29-L73 HydrophobicContact CG-CG 4.34Å; W29-L73 HydrophobicContact CH2-CB 4.48Å; W29-L73 HydrophobicContact CZ2-CB 3.86Å
30	I	91.8	Very high	88.8	Confident	20 Å²	20	52.1 Å²	52.1	10%	0.103	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138.7	-179.7	-55.6	171.4	0	0	0	106.8	L38 E39 Y87 A89 F99	I30-L38 HydrophobicContact CG2-CB 4.28Å; I30-L38 HydrophobicContact CG2-CD2 4.04Å; I30-E39 WeakPolarHBondContact CA-O 3.31Å; I30-Y87 PolarHBondContact N-O 2.85Å; I30-Y87 PolarHBondContact O-N 2.81Å; I30-A89 HydrophobicContact CD1-CB 4.03Å; I30-F99 HydrophobicContact CD1-CD1 4.04Å; I30-F99 HydrophobicContact CD1-CE1 4.17Å; I30-F99 HydrophobicContact CD1-CG 4.36Å
31	R	91.2	Very high	89.2	Confident	13 Å²	13	49.9 Å²	49.9	5%	0.049	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	142.2	170.2	65.9	-178.3	178.3	173.6	8.3	110.7	F33 L38 E39 M41 D82 A84 T85 Y86	R31-F33 HydrophobicContact CG-CE2 4.21Å; R31-F33 HydrophobicContact CG-CZ 4.25Å; R31-L38 WeakPolarHBondContact O-CA 3.5Å; R31-E39 HydrophobicContact CG-CB 4.04Å; R31-E39 IonicContact CZ-OE2 2.66Å; R31-E39 PolarHBondContact N-O 3.23Å; R31-E39 IonicContact NE-OE2 3.62Å; R31-E39 PolarHBondContact NE-OE2 3.34Å; R31-E39 IonicContact NH2-OE2 2.71Å; R31-E39 PolarHBondContact NH2-OE2 3.46Å; R31-E39 PolarHBondContact O-N 3.48Å; R31-M41 HydrophobicContact CB-CG 4.46Å; R31-M41 HydrophobicContact CB-SD 3.92Å; R31-M41 HydrophobicContact CG-CG 4.05Å; R31-M41 HydrophobicContact CG-SD 3.98Å; R31-D82 IonicContact CZ-OD1 3.79Å; R31-D82 IonicContact NH1-OD1 2.7Å; R31-D82 PolarHBondContact NH1-OD1 2.93Å; R31-D82 IonicContact NH2-OD1 3.08Å; R31-A84 HydrophobicContact CB-CB 3.83Å; R31-A84 HydrophobicContact CG-CB 4.29Å; R31-T85 CarbonylContact C-O 3.5Å; R31-T85 VanDerWaalsContact CA-O 3.31Å; R31-T85 WeakPolarHBondContact CA-O 3.44Å; R31-Y86 HydrophobicContact CB-CD1 3.83Å; R31-Y86 HydrophobicContact CB-CE1 3.84Å; R31-Y86 HydrophobicContact CB-CG 4.41Å
32	Q	90.3	Very high	89.5	Confident	42 Å²	42	49.8 Å²	49.8	20%	0.196	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119.5	177.5	-172.1	-179.9	40.6	0	0	110	N36 K37 L38 A84 T85 Y87	Q32-N36 PolarHBondContact NE2-OD1 3.17Å; Q32-K37 WeakPolarHBondContact CA-O 3.45Å; Q32-L38 HydrophobicContact CB-CD2 3.63Å; Q32-L38 HydrophobicContact CG-CD2 3.72Å; Q32-A84 CarbonylContact O-C 3.5Å; Q32-A84 WeakPolarHBondContact O-CA 3.42Å; Q32-A84 VanDerWaalsContact O-CB 3.3Å; Q32-A84 WeakPolarHBondContact O-CB 3.42Å; Q32-T85 PolarHBondContact N-O 3.03Å; Q32-T85 PolarHBondContact O-N 3.47Å; Q32-Y87 HydrophobicContact CB-CD2 4.08Å; Q32-Y87 HydrophobicContact CB-CE2 3.44Å; Q32-Y87 VanDerWaalsContact CB-CE2 3.44Å; Q32-Y87 HydrophobicContact CG-CE2 4.31Å; Q32-Y87 PolarHBondContact OE1-OH 3.32Å
33	F	90.1	Very high	89.8	Confident	40 Å²	40	49.5 Å²	49.5	18%	0.175	27%	0.273	C	S	.	.			trans	-80.7	158.9	175	-66.4	-72.3	0	0	0	111.6	R31 G35 N36 K37 E39 E81 A84	R31-F33 HydrophobicContact CG-CE2 4.21Å; R31-F33 HydrophobicContact CG-CZ 4.25Å; F33-G35 PolarHBondContact O-N 2.9Å; F33-N36 PolarHBondContact O-N 2.66Å; F33-N36 VanDerWaalsContact O-N 3.11Å; F33-K37 HydrophobicContact CB-CB 4.34Å; F33-K37 HydrophobicContact CD2-CG 4.45Å; F33-K37 PolarHBondContact N-O 3.08Å; F33-E39 HydrophobicContact CE2-CB 3.95Å; F33-E81 WeakPolarHBondContact CE1-O 3.33Å; F33-A84 HydrophobicContact CD1-CB 3.92Å; F33-A84 HydrophobicContact CE1-CB 3.96Å
34	P	87.9	Confident	90.3	Very high	115 Å²	115	47.7 Å²	47.7	75%	0.747	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	133.2	164	-25	34.4	0	0	0	110.6
35	G	89.1	Confident	90.7	Very high	74 Å²	74	47.1 Å²	47.1	76%	0.763	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.2	15.8	-172.5	0	0	0	0	0	115	F33 K37	F33-G35 PolarHBondContact O-N 2.9Å; G35-K37 PolarHBondContact O-N 2.86Å
36	N	82.5	Confident	90.9	Very high	127 Å²	127	48.3 Å²	48.3	68%	0.679	25%	0.253	S	S	*	.	S	Bend	trans	65.3	14.7	173.5	-60.5	-48.5	0	0	0	116	Q32 F33 L38	Q32-N36 PolarHBondContact NE2-OD1 3.17Å; F33-N36 PolarHBondContact O-N 2.66Å; F33-N36 VanDerWaalsContact O-N 3.11Å; N36-L38 PolarHBondContact O-N 2.71Å
37	K	89.1	Confident	90.9	Very high	144 Å²	144	50.8 Å²	50.8	63%	0.626	27%	0.27	S	S	*	.			trans	-72.2	119.4	173.9	-179.8	-179.2	177	-174.7	0	109.6	Q32 F33 G35	Q32-K37 WeakPolarHBondContact CA-O 3.45Å; F33-K37 HydrophobicContact CB-CB 4.34Å; F33-K37 HydrophobicContact CD2-CG 4.45Å; F33-K37 PolarHBondContact N-O 3.08Å; G35-K37 PolarHBondContact O-N 2.86Å
38	L	90.1	Very high	90.9	Very high	108 Å²	108	52.1 Å²	52.1	57%	0.565	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	137.7	175.8	-64	171.8	0	0	0	110.7	I30 R31 Q32 N36	I30-L38 HydrophobicContact CG2-CB 4.28Å; I30-L38 HydrophobicContact CG2-CD2 4.04Å; R31-L38 WeakPolarHBondContact O-CA 3.5Å; Q32-L38 HydrophobicContact CB-CD2 3.63Å; Q32-L38 HydrophobicContact CG-CD2 3.72Å; N36-L38 PolarHBondContact O-N 2.71Å
39	E	92	Very high	91	Very high	43 Å²	43	54.3 Å²	54.3	20%	0.201	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122	170.4	-176.1	173	-133.6	0	0	110	I30 R31 F33	I30-E39 WeakPolarHBondContact CA-O 3.31Å; R31-E39 HydrophobicContact CG-CB 4.04Å; R31-E39 IonicContact CZ-OE2 2.66Å; R31-E39 PolarHBondContact N-O 3.23Å; R31-E39 IonicContact NE-OE2 3.62Å; R31-E39 PolarHBondContact NE-OE2 3.34Å; R31-E39 IonicContact NH2-OE2 2.71Å; R31-E39 PolarHBondContact NH2-OE2 3.46Å; R31-E39 PolarHBondContact O-N 3.48Å; F33-E39 HydrophobicContact CE2-CB 3.95Å
40	W	92.9	Very high	91.1	Very high	82 Å²	82	57.1 Å²	57.1	31%	0.311	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	130.1	171.2	174.7	69.4	0	0	0	109.5	H28 G42 Y43 N51 N53	H28-W40 AromaticContact ND1-CD1 3.86Å; H28-W40 AromaticContact ND1-NE1 3.25Å; H28-W40 PolarHBondContact ND1-NE1 2.99Å; W40-G42 VanDerWaalsContact CE2-CA 3.44Å; W40-G42 VanDerWaalsContact NE1-C 3.28Å; W40-G42 PolarHBondContact NE1-O 3.01Å; W40-Y43 HydrophobicContact CH2-CD1 4.43Å; W40-Y43 AromaticContact CZ2-CD1 3.57Å; W40-Y43 HydrophobicContact CZ2-CD1 3.57Å; W40-Y43 HydrophobicContact CZ2-CE1 4.28Å; W40-Y43 HydrophobicContact CZ2-CG 4.42Å; W40-N51 HydrophobicContact CH2-CB 4.34Å; W40-N53 HydrophobicContact CE3-CB 4.02Å; W40-N53 HydrophobicContact CZ3-CB 4.08Å; W40-N53 VanDerWaalsContact O-CB 3.3Å; W40-N53 WeakPolarHBondContact O-CB 3.43Å; W40-N53 PolarHBondContact O-ND2 2.9Å
41	M	94.1	Very high	91.2	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-43.3	-178.2	-59.8	-177.6	71.4	0	0	111.8	W29 R31 N53 L56 I60 L73 Y86	W29-M41 HydrophobicContact CB-CB 4.18Å; W29-M41 PolarHBondContact O-N 3.36Å; R31-M41 HydrophobicContact CB-CG 4.46Å; R31-M41 HydrophobicContact CB-SD 3.92Å; R31-M41 HydrophobicContact CG-CG 4.05Å; R31-M41 HydrophobicContact CG-SD 3.98Å; M41-N53 WeakPolarHBondContact O-CB 3.42Å; M41-N53 PolarHBondContact O-N 3.06Å; M41-L56 HydrophobicContact CB-CD1 4.15Å; M41-L56 HydrophobicContact CE-CD1 4.16Å; M41-L56 HydrophobicContact CG-CD1 3.89Å; M41-I60 HydrophobicContact CB-CD1 4.32Å; M41-I60 HydrophobicContact CE-CG2 3.92Å; M41-I60 WeakPolarHBondContact O-CD1 3.25Å; M41-L73 HydrophobicContact CE-CD1 4.3Å; M41-L73 HydrophobicContact CE-CD2 3.61Å; M41-L73 HydrophobicContact CE-CG 4.48Å; M41-L73 HydrophobicContact SD-CD2 3.65Å; M41-Y86 HydrophobicContact CE-CD1 4.48Å; M41-Y86 HydrophobicContact CE-CE1 3.87Å; M41-Y86 HydrophobicContact SD-CD1 3.7Å; M41-Y86 HydrophobicContact SD-CE1 3.57Å; M41-Y86 VanDerWaalsContact SD-CE1 3.57Å
42	G	94.5	Very high	91.4	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.3	177.6	-175.4	0	0	0	0	0	112.3	H28 W29 W40 N51 I62	H28-G42 WeakPolarHBondContact CA-O 3.43Å; W29-G42 PolarHBondContact N-O 3.46Å; W40-G42 VanDerWaalsContact CE2-CA 3.44Å; W40-G42 VanDerWaalsContact NE1-C 3.28Å; W40-G42 PolarHBondContact NE1-O 3.01Å; G42-N51 CarbonylContact C-O 3.49Å; G42-N51 WeakPolarHBondContact CA-O 3.47Å; G42-I62 VanDerWaalsContact C-CD1 3.43Å; G42-I62 VanDerWaalsContact CA-CD1 3.48Å
43	Y	93.7	Very high	91.6	Very high	60 Å²	60	60.4 Å²	60.4	24%	0.235	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	158.8	169.1	74.5	-106.3	0	0	0	112	W27 H28 W40 H45 T50 N51	W27-Y43 CarbonylContact O-C 3.57Å; W27-Y43 WeakPolarHBondContact O-CA 2.97Å; W27-Y43 VanDerWaalsContact O-CB 3.27Å; W27-Y43 WeakPolarHBondContact O-CB 3.3Å; H28-Y43 AromaticContact CE1-CD1 3.61Å; H28-Y43 AromaticContact CE1-CG 3.79Å; H28-Y43 WeakPolarHBondContact ND1-CB 3.44Å; W40-Y43 HydrophobicContact CH2-CD1 4.43Å; W40-Y43 AromaticContact CZ2-CD1 3.57Å; W40-Y43 HydrophobicContact CZ2-CD1 3.57Å; W40-Y43 HydrophobicContact CZ2-CE1 4.28Å; W40-Y43 HydrophobicContact CZ2-CG 4.42Å; Y43-H45 HydrophobicContact CE2-CB 4.25Å; Y43-T50 VanDerWaalsContact O-CA 3.28Å; Y43-T50 WeakPolarHBondContact O-CA 3.28Å; Y43-N51 HydrophobicContact CD1-CB 3.93Å; Y43-N51 HydrophobicContact CE1-CB 3.37Å; Y43-N51 HydrophobicContact CE2-CB 4.19Å; Y43-N51 VanDerWaalsContact CZ-CB 3.49Å; Y43-N51 PolarHBondContact N-O 2.99Å; Y43-N51 PolarHBondContact O-N 3.46Å
44	I	94.2	Very high	91.8	Very high	7 Å²	7	63.8 Å²	63.8	4%	0.036	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.9	163.8	-170.8	160.6	0	0	0	109.7	W27 T50 I62 R64 F71	W27-I44 HydrophobicContact CB-CG2 4.1Å; W27-I44 PolarHBondContact N-O 2.03Å; W27-I44 PolarHBondContact O-N 3.29Å; I44-T50 HydrophobicContact CB-CG2 3.99Å; I44-T50 HydrophobicContact CD1-CG2 3.88Å; I44-T50 HydrophobicContact CG1-CG2 3.79Å; I44-I62 HydrophobicContact CB-CG2 3.74Å; I44-I62 HydrophobicContact CG2-CG2 3.73Å; I44-R64 HydrophobicContact CD1-CB 4.01Å; I44-R64 HydrophobicContact CD1-CG 3.8Å; I44-F71 HydrophobicContact CG2-CB 4.17Å
45	H	92.3	Very high	91.9	Very high	18 Å²	18	62.7 Å²	62.7	8%	0.083	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	159.7	179.4	-169.1	-127.4	0	0	0	111.2	S26 Y43 S47 G48 S49 R64 Y93	S26-H45 PolarHBondContact OG-CD2 3.38Å; S26-H45 VanDerWaalsContact OG-CD2 3.28Å; Y43-H45 HydrophobicContact CE2-CB 4.25Å; H45-S47 PolarHBondContact ND1-N 2.9Å; H45-S47 PolarHBondContact ND1-OG 2.91Å; H45-S47 PolarHBondContact O-N 2.92Å; H45-S47 VanDerWaalsContact O-N 3.11Å; H45-G48 WeakPolarHBondContact O-CA 3.47Å; H45-G48 PolarHBondContact O-N 3.47Å; H45-S49 WeakPolarHBondContact CB-O 3.49Å; H45-S49 VanDerWaalsContact CB-OG 3.24Å; H45-S49 WeakPolarHBondContact CB-OG 3.38Å; H45-S49 PolarHBondContact N-O 3.28Å; H45-R64 PolarHBondContact O-NH1 3.31Å; H45-Y93 AromaticContact NE2-CE2 3.5Å
46	Y	89.1	Confident	92	Very high	90 Å²	90	59.3 Å²	59.3	35%	0.353	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.6	174.3	79.7	-93	0	0	0	113.4	Y25 G48 R64 Y93	Y25-Y46 WeakPolarHBondContact O-CB 3.28Å; Y25-Y46 PolarHBondContact O-N 2.82Å; Y46-G48 VanDerWaalsContact C-N 3.27Å; Y46-R64 VanDerWaalsContact C-NH1 3.25Å; Y46-R64 PolarHBondContact O-NH1 2.92Å; Y46-Y93 HydrophobicContact CE1-CE2 4.27Å
47	S	90.7	Very high	92.5	Very high	71 Å²	71	59.8 Å²	59.8	50%	0.497	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-9.7	173.2	65.5	0	0	0	0	113.3	H45 S49	H45-S47 PolarHBondContact ND1-N 2.9Å; H45-S47 PolarHBondContact ND1-OG 2.91Å; H45-S47 PolarHBondContact O-N 2.92Å; H45-S47 VanDerWaalsContact O-N 3.11Å; S47-S49 PolarHBondContact OG-OG 2.71Å
48	G	90.1	Very high	92.6	Very high	30 Å²	30	58.3 Å²	58.3	31%	0.309	33%	0.325	S	S	.	.	S	Bend	trans	93.7	-2.7	-175.6	0	0	0	0	0	114.3	H45 Y46	H45-G48 WeakPolarHBondContact O-CA 3.47Å; H45-G48 PolarHBondContact O-N 3.47Å; Y46-G48 VanDerWaalsContact C-N 3.27Å
49	S	92.6	Very high	92.8	Very high	57 Å²	57	55.6 Å²	55.6	40%	0.399	31%	0.307	S	S	.	.			trans	-68.2	138	174.2	58.3	0	0	0	0	111.1	H45 S47	H45-S49 WeakPolarHBondContact CB-O 3.49Å; H45-S49 VanDerWaalsContact CB-OG 3.24Å; H45-S49 WeakPolarHBondContact CB-OG 3.38Å; H45-S49 PolarHBondContact N-O 3.28Å; S47-S49 PolarHBondContact OG-OG 2.71Å
50	T	94.9	Very high	92.9	Very high	58 Å²	58	54 Å²	54	36%	0.356	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	150.4	-179.6	51.7	0	0	0	0	111.4	Y43 I44 Y52	Y43-T50 VanDerWaalsContact O-CA 3.28Å; Y43-T50 WeakPolarHBondContact O-CA 3.28Å; I44-T50 HydrophobicContact CB-CG2 3.99Å; I44-T50 HydrophobicContact CD1-CG2 3.88Å; I44-T50 HydrophobicContact CG1-CG2 3.79Å; T50-Y52 PolarHBondContact OG1-OH 3.47Å
51	N	94.8	Very high	93	Very high	76 Å²	76	52.4 Å²	52.4	41%	0.406	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	147.7	168.6	-159	-33.2	0	0	0	108.8	W40 G42 Y43	W40-N51 HydrophobicContact CH2-CB 4.34Å; G42-N51 CarbonylContact C-O 3.49Å; G42-N51 WeakPolarHBondContact CA-O 3.47Å; Y43-N51 HydrophobicContact CD1-CB 3.93Å; Y43-N51 HydrophobicContact CE1-CB 3.37Å; Y43-N51 HydrophobicContact CE2-CB 4.19Å; Y43-N51 VanDerWaalsContact CZ-CB 3.49Å; Y43-N51 PolarHBondContact N-O 2.99Å; Y43-N51 PolarHBondContact O-N 3.46Å
52	Y	95.2	Very high	93	Very high	45 Å²	45	52.6 Å²	52.6	18%	0.176	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	148.2	-170.3	-58.2	-70.7	0	0	0	109.9	T50 P54 K57 I60 I62	T50-Y52 PolarHBondContact OG1-OH 3.47Å; Y52-P54 WeakPolarHBondContact O-CD 3.09Å; Y52-K57 HydrophobicContact CD2-CG 4.18Å; Y52-K57 HydrophobicContact CG-CG 4.34Å; Y52-I60 HydrophobicContact CD1-CD1 3.56Å; Y52-I60 HydrophobicContact CD1-CG1 3.59Å; Y52-I60 HydrophobicContact CE1-CD1 4.43Å; Y52-I60 HydrophobicContact CE1-CG1 4.16Å; Y52-I60 HydrophobicContact CG-CD1 4.27Å; Y52-I60 HydrophobicContact CG-CG1 4.3Å; Y52-I62 HydrophobicContact CD1-CD1 4.14Å; Y52-I62 HydrophobicContact CD1-CG1 4.46Å; Y52-I62 HydrophobicContact CE1-CB 4.08Å; Y52-I62 HydrophobicContact CE1-CD1 4Å; Y52-I62 HydrophobicContact CE1-CG1 3.91Å; Y52-I62 PolarHBondContact OH-N 3.03Å
53	N	94.2	Very high	93	Very high	24 Å²	24	55.9 Å²	55.9	13%	0.128	32%	0.322	C	S	.	.			trans	-62.1	124.8	165.9	-177.8	-25	0	0	0	108.8	W40 M41 S55 L56 K57	W40-N53 HydrophobicContact CE3-CB 4.02Å; W40-N53 HydrophobicContact CZ3-CB 4.08Å; W40-N53 VanDerWaalsContact O-CB 3.3Å; W40-N53 WeakPolarHBondContact O-CB 3.43Å; W40-N53 PolarHBondContact O-ND2 2.9Å; M41-N53 WeakPolarHBondContact O-CB 3.42Å; M41-N53 PolarHBondContact O-N 3.06Å; N53-S55 PolarHBondContact O-N 2.94Å; N53-S55 VanDerWaalsContact O-N 3.11Å; N53-S55 PolarHBondContact OD1-N 2.77Å; N53-S55 VanDerWaalsContact OD1-N 3.08Å; N53-L56 HydrophobicContact CB-CB 4.42Å; N53-L56 HydrophobicContact CB-CD1 4.45Å; N53-L56 PolarHBondContact O-N 2.93Å; N53-K57 PolarHBondContact O-N 3.25Å
54	P	93.5	Very high	93	Very high	110 Å²	110	57 Å²	57	71%	0.714	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-37.7	-179.2	-29	35.5	0	0	0	113.8	Y52 L56	Y52-P54 WeakPolarHBondContact O-CD 3.09Å; P54-L56 PolarHBondContact O-N 2.92Å
55	S	90.8	Very high	92.9	Very high	92 Å²	92	58.7 Å²	58.7	64%	0.643	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-20.1	-179.8	-59.3	0	0	0	0	113.8	N53	N53-S55 PolarHBondContact O-N 2.94Å; N53-S55 VanDerWaalsContact O-N 3.11Å; N53-S55 PolarHBondContact OD1-N 2.77Å; N53-S55 VanDerWaalsContact OD1-N 3.08Å
56	L	91.4	Very high	92.9	Very high	3 Å²	3	61.7 Å²	61.7	2%	0.016	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-11.6	-176.7	-62.5	175.9	0	0	0	113.1	M41 N53 P54 S58 R59 I60	M41-L56 HydrophobicContact CB-CD1 4.15Å; M41-L56 HydrophobicContact CE-CD1 4.16Å; M41-L56 HydrophobicContact CG-CD1 3.89Å; N53-L56 HydrophobicContact CB-CB 4.42Å; N53-L56 HydrophobicContact CB-CD1 4.45Å; N53-L56 PolarHBondContact O-N 2.93Å; P54-L56 PolarHBondContact O-N 2.92Å; L56-S58 PolarHBondContact O-N 3.25Å; L56-R59 PolarHBondContact O-N 2.84Å; L56-I60 HydrophobicContact CB-CD1 3.85Å; L56-I60 HydrophobicContact CB-CG1 4.26Å; L56-I60 HydrophobicContact CB-CG2 4.02Å; L56-I60 WeakPolarHBondContact O-CG1 2.86Å; L56-I60 PolarHBondContact O-N 2.92Å
57	K	91.5	Very high	93	Very high	138 Å²	138	62.3 Å²	62.3	60%	0.6	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-31.6	-170.8	-172.7	176.8	-177.7	-176.2	0	114.5	Y52 N53 R59	Y52-K57 HydrophobicContact CD2-CG 4.18Å; Y52-K57 HydrophobicContact CG-CG 4.34Å; N53-K57 PolarHBondContact O-N 3.25Å; K57-R59 VanDerWaalsContact C-N 3.35Å
58	S	92.5	Very high	93	Very high	113 Å²	113	65 Å²	65	79%	0.79	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-19.3	178	57.2	0	0	0	0	113.8	L56	L56-S58 PolarHBondContact O-N 3.25Å
59	R	93	Very high	93	Very high	50 Å²	50	65.2 Å²	65.2	19%	0.189	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-22.2	-173.9	-59.2	-163.3	-63	135.7	1	113.4	L56 K57 L75 N76 S77 D82	L56-R59 PolarHBondContact O-N 2.84Å; K57-R59 VanDerWaalsContact C-N 3.35Å; R59-L75 HydrophobicContact CB-CD1 3.99Å; R59-N76 PolarHBondContact O-N 2.87Å; R59-S77 PolarHBondContact NH1-O 2.9Å; R59-D82 IonicContact CZ-OD1 2.82Å; R59-D82 IonicContact CZ-OD2 3.61Å; R59-D82 IonicContact NH1-OD1 3.68Å; R59-D82 PolarHBondContact NH1-OD1 2.72Å; R59-D82 IonicContact NH1-OD2 3.82Å; R59-D82 PolarHBondContact NH1-OD2 2.96Å; R59-D82 IonicContact NH2-OD1 3.43Å; R59-D82 PolarHBondContact NH2-OD1 3.36Å; R59-D82 IonicContact NH2-OD2 2.71Å
60	I	94.3	Very high	93	Very high	10 Å²	10	64.5 Å²	64.5	5%	0.051	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	146.2	-175.8	68.8	-179.8	0	0	0	113.3	M41 Y52 L56 L73 Q74 L75	M41-I60 HydrophobicContact CB-CD1 4.32Å; M41-I60 HydrophobicContact CE-CG2 3.92Å; M41-I60 WeakPolarHBondContact O-CD1 3.25Å; Y52-I60 HydrophobicContact CD1-CD1 3.56Å; Y52-I60 HydrophobicContact CD1-CG1 3.59Å; Y52-I60 HydrophobicContact CE1-CD1 4.43Å; Y52-I60 HydrophobicContact CE1-CG1 4.16Å; Y52-I60 HydrophobicContact CG-CD1 4.27Å; Y52-I60 HydrophobicContact CG-CG1 4.3Å; L56-I60 HydrophobicContact CB-CD1 3.85Å; L56-I60 HydrophobicContact CB-CG1 4.26Å; L56-I60 HydrophobicContact CB-CG2 4.02Å; L56-I60 WeakPolarHBondContact O-CG1 2.86Å; L56-I60 PolarHBondContact O-N 2.92Å; I60-L73 HydrophobicContact CB-CD1 4Å; I60-L73 HydrophobicContact CG2-CD1 4.2Å; I60-Q74 CarbonylContact C-O 3.54Å; I60-Q74 VanDerWaalsContact CA-O 3.25Å; I60-Q74 WeakPolarHBondContact CA-O 3.38Å; I60-L75 HydrophobicContact CG2-CB 4.5Å; I60-L75 HydrophobicContact CG2-CD1 3.49Å; I60-L75 VanDerWaalsContact CG2-CD1 3.49Å
61	S	94.9	Very high	92.8	Very high	48 Å²	48	61.8 Å²	61.8	34%	0.336	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.2	167.3	-178.7	0	0	0	0	108.9	Q74	S61-Q74 PolarHBondContact N-O 2.87Å; S61-Q74 PolarHBondContact O-N 2.8Å
62	I	95.3	Very high	92.8	Very high	5 Å²	5	60.2 Å²	60.2	3%	0.026	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.3	177.6	-61.6	168.6	0	0	0	108.2	G42 I44 Y52 L72 L73	G42-I62 VanDerWaalsContact C-CD1 3.43Å; G42-I62 VanDerWaalsContact CA-CD1 3.48Å; I44-I62 HydrophobicContact CB-CG2 3.74Å; I44-I62 HydrophobicContact CG2-CG2 3.73Å; Y52-I62 HydrophobicContact CD1-CD1 4.14Å; Y52-I62 HydrophobicContact CD1-CG1 4.46Å; Y52-I62 HydrophobicContact CE1-CB 4.08Å; Y52-I62 HydrophobicContact CE1-CD1 4Å; Y52-I62 HydrophobicContact CE1-CG1 3.91Å; Y52-I62 PolarHBondContact OH-N 3.03Å; I62-L72 VanDerWaalsContact CA-O 3.32Å; I62-L72 WeakPolarHBondContact CA-O 2.75Å; I62-L73 HydrophobicContact CD1-CD1 4.46Å; I62-L73 HydrophobicContact CG1-CD1 3.79Å
63	T	94.5	Very high	92.7	Very high	69 Å²	69	58 Å²	58	42%	0.423	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	173.4	-179.4	64.4	0	0	0	0	110.7	F71 L72	T63-F71 CarbonylContact O-C 3.57Å; T63-F71 WeakPolarHBondContact O-CA 3.11Å; T63-F71 WeakPolarHBondContact O-CB 3.5Å; T63-L72 PolarHBondContact N-O 2.84Å; T63-L72 PolarHBondContact O-N 2.99Å
64	R	93	Very high	92.7	Very high	82 Å²	82	59.5 Å²	59.5	31%	0.309	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	143.8	177.6	63.8	-178.9	-175.1	171.6	1.4	111.6	I21 I44 H45 Y46 T66 Q70 F71	I21-R64 HydrophobicContact CD1-CB 3.93Å; I44-R64 HydrophobicContact CD1-CB 4.01Å; I44-R64 HydrophobicContact CD1-CG 3.8Å; H45-R64 PolarHBondContact O-NH1 3.31Å; Y46-R64 VanDerWaalsContact C-NH1 3.25Å; Y46-R64 PolarHBondContact O-NH1 2.92Å; R64-T66 HydrophobicContact CG-CG2 4.4Å; R64-Q70 CarbonylContact C-O 3.51Å; R64-Q70 WeakPolarHBondContact CA-O 3.25Å; R64-F71 HydrophobicContact CB-CB 4.32Å
65	D	92.6	Very high	92.7	Very high	43 Å²	43	54.2 Å²	54.2	23%	0.23	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	98.7	168.4	-174.4	-17.9	0	0	0	108.1	S67 K68 N69 Q70 L72	D65-S67 PolarHBondContact O-N 2.91Å; D65-S67 WeakPolarHBondContact OD1-CB 3.24Å; D65-S67 PolarHBondContact OD1-N 3.14Å; D65-S67 PolarHBondContact OD1-OG 3.11Å; D65-K68 HydrophobicContact CB-CB 4.4Å; D65-K68 PolarHBondContact O-N 3.01Å; D65-K68 PolarHBondContact OD1-N 3.01Å; D65-K68 WeakPolarHBondContact OD2-CD 3.42Å; D65-K68 WeakPolarHBondContact OD2-CE 3.36Å; D65-K68 WeakPolarHBondContact OD2-CG 3.45Å; D65-K68 IonicContact OD2-NZ 3.6Å; D65-N69 PolarHBondContact O-N 2.85Å; D65-Q70 HydrophobicContact CB-CB 4.42Å; D65-Q70 PolarHBondContact N-O 2.82Å; D65-Q70 PolarHBondContact O-N 2.82Å; D65-L72 HydrophobicContact CB-CD1 4.39Å
66	T	91.1	Very high	92.7	Very high	82 Å²	82	53.1 Å²	53.1	50%	0.503	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-21.3	-179.9	55.1	0	0	0	0	112.8	I21 T22 R64 K68	I21-T66 HydrophobicContact CD1-CG2 4.12Å; I21-T66 HydrophobicContact CG1-CG2 4.33Å; T22-T66 HydrophobicContact CG2-CG2 3.5Å; T22-T66 VanDerWaalsContact CG2-CG2 3.5Å; R64-T66 HydrophobicContact CG-CG2 4.4Å; T66-K68 VanDerWaalsContact C-N 3.34Å
67	S	91.5	Very high	92.6	Very high	102 Å²	102	56.2 Å²	56.2	71%	0.713	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-32.4	177	75.5	0	0	0	0	111.6	D65	D65-S67 PolarHBondContact O-N 2.91Å; D65-S67 WeakPolarHBondContact OD1-CB 3.24Å; D65-S67 PolarHBondContact OD1-N 3.14Å; D65-S67 PolarHBondContact OD1-OG 3.11Å
68	K	91.3	Very high	92.4	Very high	128 Å²	128	50.5 Å²	50.5	56%	0.557	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	0	179.1	-60.1	-176.7	-168.6	170	0	113.9	D65 T66 Q70	D65-K68 HydrophobicContact CB-CB 4.4Å; D65-K68 PolarHBondContact O-N 3.01Å; D65-K68 PolarHBondContact OD1-N 3.01Å; D65-K68 WeakPolarHBondContact OD2-CD 3.42Å; D65-K68 WeakPolarHBondContact OD2-CE 3.36Å; D65-K68 WeakPolarHBondContact OD2-CG 3.45Å; D65-K68 IonicContact OD2-NZ 3.6Å; T66-K68 VanDerWaalsContact C-N 3.34Å; K68-Q70 HydrophobicContact CB-CB 4.3Å; K68-Q70 HydrophobicContact CB-CG 4.11Å; K68-Q70 PolarHBondContact O-N 3.29Å
69	N	90.8	Very high	92.2	Very high	35 Å²	35	48 Å²	48	19%	0.187	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	55	42.5	-175.4	-159.5	43.4	0	0	0	112.7	V16 Y19 S20 I21 D65	V16-N69 PolarHBondContact N-O 2.77Å; V16-N69 PolarHBondContact O-ND2 2.87Å; Y19-N69 PolarHBondContact O-ND2 2.86Å; Y19-N69 PolarHBondContact O-OD1 3.34Å; S20-N69 WeakPolarHBondContact CA-OD1 3.29Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.35Å; I21-N69 PolarHBondContact N-OD1 2.82Å; D65-N69 PolarHBondContact O-N 2.85Å
70	Q	92.3	Very high	91.8	Very high	42 Å²	42	51.5 Å²	51.5	20%	0.196	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	151.6	-175	-79.3	169	-5.3	0	0	111.5	T13 C14 T15 I21 R64 D65 K68	T13-Q70 HydrophobicContact CG2-CB 4.1Å; T13-Q70 HydrophobicContact CG2-CG 3.91Å; C14-Q70 VanDerWaalsContact O-CA 3.25Å; C14-Q70 WeakPolarHBondContact O-CA 3.17Å; T15-Q70 HydrophobicContact CG2-CG 4.12Å; T15-Q70 WeakPolarHBondContact OG1-CG 2.9Å; T15-Q70 PolarHBondContact OG1-NE2 3.24Å; I21-Q70 WeakPolarHBondContact CD1-O 3.32Å; R64-Q70 CarbonylContact C-O 3.51Å; R64-Q70 WeakPolarHBondContact CA-O 3.25Å; D65-Q70 HydrophobicContact CB-CB 4.42Å; D65-Q70 PolarHBondContact N-O 2.82Å; D65-Q70 PolarHBondContact O-N 2.82Å; K68-Q70 HydrophobicContact CB-CB 4.3Å; K68-Q70 HydrophobicContact CB-CG 4.11Å; K68-Q70 PolarHBondContact O-N 3.29Å
71	F	91.4	Very high	91.4	Very high	1 Å²	1	58.1 Å²	58.1	0%	0.004	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.6	165.3	64.2	-82.4	0	0	0	110.1	C14 V16 I21 W27 W29 I44 T63 R64 C88	C14-F71 HydrophobicContact CB-CD1 4Å; C14-F71 HydrophobicContact CB-CD2 4.2Å; C14-F71 HydrophobicContact CB-CE1 3.58Å; C14-F71 HydrophobicContact CB-CE2 3.8Å; C14-F71 HydrophobicContact CB-CG 4.31Å; C14-F71 HydrophobicContact CB-CZ 3.5Å; C14-F71 PolarHBondContact N-O 3.31Å; C14-F71 PolarHBondContact O-N 3.32Å; V16-F71 HydrophobicContact CG2-CD1 4.02Å; V16-F71 HydrophobicContact CG2-CE1 3.7Å; I21-F71 HydrophobicContact CG2-CD1 4.34Å; W27-F71 HydrophobicContact CB-CD1 3.91Å; W27-F71 HydrophobicContact CB-CD2 4Å; W27-F71 HydrophobicContact CB-CE1 3.79Å; W27-F71 HydrophobicContact CB-CE2 3.9Å; W27-F71 HydrophobicContact CB-CG 4Å; W27-F71 HydrophobicContact CB-CZ 3.76Å; W27-F71 HydrophobicContact CD2-CD1 4.32Å; W27-F71 AromaticContact CD2-CE1 4Å; W27-F71 HydrophobicContact CD2-CE1 4Å; W27-F71 HydrophobicContact CE3-CD1 4.43Å; W27-F71 AromaticContact CE3-CE1 3.69Å; W27-F71 HydrophobicContact CE3-CE1 3.69Å; W27-F71 HydrophobicContact CE3-CZ 4.21Å; W27-F71 HydrophobicContact CG-CD1 4.08Å; W27-F71 HydrophobicContact CG-CE1 4.04Å; W27-F71 HydrophobicContact CG-CZ 4.46Å; W29-F71 AromaticContact CD1-CD2 3.99Å; W29-F71 AromaticContact CD1-CE2 3.96Å; W29-F71 HydrophobicContact CD2-CE2 4.33Å; W29-F71 AromaticContact CE2-CD2 3.82Å; W29-F71 AromaticContact CE2-CE2 3.71Å; W29-F71 HydrophobicContact CG-CE2 4.48Å; W29-F71 HydrophobicContact CZ2-CD2 4.17Å; W29-F71 HydrophobicContact CZ2-CE2 4.12Å; W29-F71 AromaticContact NE1-CD2 3.27Å; W29-F71 VanDerWaalsContact NE1-CD2 3.27Å; W29-F71 AromaticContact NE1-CE2 3.47Å; I44-F71 HydrophobicContact CG2-CB 4.17Å; T63-F71 CarbonylContact O-C 3.57Å; T63-F71 WeakPolarHBondContact O-CA 3.11Å; T63-F71 WeakPolarHBondContact O-CB 3.5Å; R64-F71 HydrophobicContact CB-CB 4.32Å; F71-C88 HydrophobicContact CE1-CB 4.32Å; F71-C88 HydrophobicContact CE2-CB 3.79Å; F71-C88 HydrophobicContact CZ-CB 3.31Å
72	L	93.4	Very high	91	Very high	42 Å²	42	56 Å²	56	22%	0.22	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147.2	-167.3	-59.8	85.3	0	0	0	109.9	L12 T13 I62 T63 D65	L12-L72 CarbonylContact O-C 3.59Å; L12-L72 VanDerWaalsContact O-CA 3.24Å; L12-L72 WeakPolarHBondContact O-CA 3.49Å; T13-L72 HydrophobicContact CG2-CG 4.37Å; I62-L72 VanDerWaalsContact CA-O 3.32Å; I62-L72 WeakPolarHBondContact CA-O 2.75Å; T63-L72 PolarHBondContact N-O 2.84Å; T63-L72 PolarHBondContact O-N 2.99Å; D65-L72 HydrophobicContact CB-CD1 4.39Å
73	L	94.4	Very high	90.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	118.6	169.6	170.2	69.2	0	0	0	108.3	S11 L12 W29 M41 I60 I62 Y86	S11-L73 WeakPolarHBondContact CA-O 3.3Å; L12-L73 HydrophobicContact CB-CB 4.39Å; L12-L73 HydrophobicContact CD1-CD2 3.99Å; L12-L73 PolarHBondContact N-O 2.87Å; L12-L73 PolarHBondContact O-N 2.83Å; W29-L73 HydrophobicContact CB-CD2 4.09Å; W29-L73 HydrophobicContact CD2-CB 3.66Å; W29-L73 HydrophobicContact CD2-CD2 3.85Å; W29-L73 HydrophobicContact CD2-CG 4.36Å; W29-L73 VanDerWaalsContact CE2-CB 3.41Å; W29-L73 HydrophobicContact CE3-CB 4.3Å; W29-L73 HydrophobicContact CE3-CD2 3.97Å; W29-L73 HydrophobicContact CG-CB 3.88Å; W29-L73 HydrophobicContact CG-CD2 3.91Å; W29-L73 HydrophobicContact CG-CG 4.34Å; W29-L73 HydrophobicContact CH2-CB 4.48Å; W29-L73 HydrophobicContact CZ2-CB 3.86Å; M41-L73 HydrophobicContact CE-CD1 4.3Å; M41-L73 HydrophobicContact CE-CD2 3.61Å; M41-L73 HydrophobicContact CE-CG 4.48Å; M41-L73 HydrophobicContact SD-CD2 3.65Å; I60-L73 HydrophobicContact CB-CD1 4Å; I60-L73 HydrophobicContact CG2-CD1 4.2Å; I62-L73 HydrophobicContact CD1-CD1 4.46Å; I62-L73 HydrophobicContact CG1-CD1 3.79Å; L73-Y86 HydrophobicContact CD2-CD1 4.21Å; L73-Y86 HydrophobicContact CD2-CE1 4.49Å
74	Q	94	Very high	90.5	Very high	54 Å²	54	58.2 Å²	58.2	25%	0.252	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	121.8	167.1	-166.7	69	37.5	0	0	108.4	S9 L10 S11 I60 S61	S9-Q74 VanDerWaalsContact CB-NE2 3.26Å; S9-Q74 PolarHBondContact OG-NE2 2.85Å; L10-Q74 CarbonylContact O-C 3.43Å; L10-Q74 WeakPolarHBondContact O-CA 3.42Å; L10-Q74 PolarHBondContact O-NE2 2.75Å; S11-Q74 PolarHBondContact OG-OE1 3.16Å; I60-Q74 CarbonylContact C-O 3.54Å; I60-Q74 VanDerWaalsContact CA-O 3.25Å; I60-Q74 WeakPolarHBondContact CA-O 3.38Å; S61-Q74 PolarHBondContact N-O 2.87Å; S61-Q74 PolarHBondContact O-N 2.8Å
75	L	92.6	Very high	90.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	118.7	171.6	175	65.9	0	0	0	108.7	S9 L10 R59 I60 V78 D82	S9-L75 CarbonylContact C-O 3.6Å; S9-L75 VanDerWaalsContact CA-O 3.29Å; S9-L75 WeakPolarHBondContact CA-O 3.37Å; L10-L75 HydrophobicContact CB-CB 4.43Å; L10-L75 PolarHBondContact N-O 2.96Å; L10-L75 PolarHBondContact O-N 3.29Å; R59-L75 HydrophobicContact CB-CD1 3.99Å; I60-L75 HydrophobicContact CG2-CB 4.5Å; I60-L75 HydrophobicContact CG2-CD1 3.49Å; I60-L75 VanDerWaalsContact CG2-CD1 3.49Å; L75-V78 HydrophobicContact CD2-CG2 4.11Å; L75-V78 HydrophobicContact CG-CG2 4.01Å; L75-V78 WeakPolarHBondContact O-CG2 3.12Å; L75-D82 HydrophobicContact CD2-CB 3.95Å
76	N	91.4	Very high	90.3	Very high	68 Å²	68	56 Å²	56	36%	0.364	32%	0.317	S	S	.	.			trans	-96.5	155.5	179.6	-62.4	-38.7	0	0	0	111	S9 R59 V78	S9-N76 WeakPolarHBondContact CB-OD1 3.28Å; R59-N76 PolarHBondContact O-N 2.87Å; N76-V78 PolarHBondContact O-N 2.87Å
77	S	88.6	Confident	90.1	Very high	68 Å²	68	53.5 Å²	53.5	48%	0.476	30%	0.299	S	S	.	.	S	Bend	trans	53.4	54.2	178.9	-53.7	0	0	0	0	111.5	R59 T79	R59-S77 PolarHBondContact NH1-O 2.9Å; S77-T79 PolarHBondContact O-N 3.01Å
78	V	88.3	Confident	90	Very high	18 Å²	18	48.7 Å²	48.7	11%	0.109	27%	0.265	C	S	.	.			trans	-65.7	130	-178.9	-178.7	0	0	0	0	109.3	Q8 L10 L75 N76 D82	Q8-V78 VanDerWaalsContact O-CG2 3.31Å; Q8-V78 WeakPolarHBondContact O-CG2 3.4Å; Q8-V78 PolarHBondContact O-N 3.34Å; L10-V78 HydrophobicContact CB-CG2 3.72Å; L75-V78 HydrophobicContact CD2-CG2 4.11Å; L75-V78 HydrophobicContact CG-CG2 4.01Å; L75-V78 WeakPolarHBondContact O-CG2 3.12Å; N76-V78 PolarHBondContact O-N 2.87Å; V78-D82 WeakPolarHBondContact CA-OD2 3.4Å; V78-D82 HydrophobicContact CG1-CB 4.02Å
79	T	87.6	Confident	89.9	Confident	61 Å²	61	42.8 Å²	42.8	37%	0.374	24%	0.24	S	C	.	.			trans	-116	173.1	175.6	70.1	0	0	0	0	110.7	S77 E81 D82	S77-T79 PolarHBondContact O-N 3.01Å; T79-E81 PolarHBondContact O-N 3.04Å; T79-E81 PolarHBondContact OG1-N 2.84Å; T79-D82 PolarHBondContact N-OD2 2.82Å; T79-D82 WeakPolarHBondContact O-CB 3.27Å; T79-D82 PolarHBondContact O-N 2.73Å; T79-D82 PolarHBondContact OG1-OD2 2.83Å
80	T	85.1	Confident	89.7	Confident	123 Å²	123	42.9 Å²	42.9	76%	0.755	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-59.6	-27.5	173.7	48	0	0	0	0	112.5	D82 T83	T80-D82 PolarHBondContact O-N 2.86Å; T80-T83 VanDerWaalsContact O-CB 3.28Å; T80-T83 WeakPolarHBondContact O-CB 3.28Å; T80-T83 PolarHBondContact O-N 3.28Å; T80-T83 VanDerWaalsContact O-N 3.16Å; T80-T83 PolarHBondContact O-OG1 3.21Å
81	E	85.8	Confident	89.2	Confident	150 Å²	150	46.7 Å²	46.7	70%	0.701	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-68.3	-15.5	175.1	-59	-179.1	173.2	0	0	113.1	F33 T79 T83	F33-E81 WeakPolarHBondContact CE1-O 3.33Å; T79-E81 PolarHBondContact O-N 3.04Å; T79-E81 PolarHBondContact OG1-N 2.84Å; E81-T83 VanDerWaalsContact C-N 3.29Å
82	D	86.6	Confident	88.2	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.021	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-90.4	5.7	175.7	-58.2	-52.1	0	0	0	112.2	R31 R59 L75 V78 T79 T80 A84 Y86	R31-D82 IonicContact CZ-OD1 3.79Å; R31-D82 IonicContact NH1-OD1 2.7Å; R31-D82 PolarHBondContact NH1-OD1 2.93Å; R31-D82 IonicContact NH2-OD1 3.08Å; R59-D82 IonicContact CZ-OD1 2.82Å; R59-D82 IonicContact CZ-OD2 3.61Å; R59-D82 IonicContact NH1-OD1 3.68Å; R59-D82 PolarHBondContact NH1-OD1 2.72Å; R59-D82 IonicContact NH1-OD2 3.82Å; R59-D82 PolarHBondContact NH1-OD2 2.96Å; R59-D82 IonicContact NH2-OD1 3.43Å; R59-D82 PolarHBondContact NH2-OD1 3.36Å; R59-D82 IonicContact NH2-OD2 2.71Å; L75-D82 HydrophobicContact CD2-CB 3.95Å; V78-D82 WeakPolarHBondContact CA-OD2 3.4Å; V78-D82 HydrophobicContact CG1-CB 4.02Å; T79-D82 PolarHBondContact N-OD2 2.82Å; T79-D82 WeakPolarHBondContact O-CB 3.27Å; T79-D82 PolarHBondContact O-N 2.73Å; T79-D82 PolarHBondContact OG1-OD2 2.83Å; T80-D82 PolarHBondContact O-N 2.86Å; D82-A84 PolarHBondContact O-N 2.83Å; D82-Y86 PolarHBondContact O-OH 2.6Å
83	T	88.8	Confident	86.4	Confident	97 Å²	97	55.3 Å²	55.3	60%	0.595	29%	0.292	S	S	*	.			trans	-69.4	102	175.7	-51.8	0	0	0	0	110	T80 E81	T80-T83 VanDerWaalsContact O-CB 3.28Å; T80-T83 WeakPolarHBondContact O-CB 3.28Å; T80-T83 PolarHBondContact O-N 3.28Å; T80-T83 VanDerWaalsContact O-N 3.16Å; T80-T83 PolarHBondContact O-OG1 3.21Å; E81-T83 VanDerWaalsContact C-N 3.29Å
84	A	90.5	Very high	84.4	Confident	23 Å²	23	57.9 Å²	57.9	19%	0.19	32%	0.319	C	S	.	.	S	Bend	trans	-154.1	164.3	-176.5	0	0	0	0	0	110.2	R31 Q32 F33 D82 Y86	R31-A84 HydrophobicContact CB-CB 3.83Å; R31-A84 HydrophobicContact CG-CB 4.29Å; Q32-A84 CarbonylContact O-C 3.5Å; Q32-A84 WeakPolarHBondContact O-CA 3.42Å; Q32-A84 VanDerWaalsContact O-CB 3.3Å; Q32-A84 WeakPolarHBondContact O-CB 3.42Å; F33-A84 HydrophobicContact CD1-CB 3.92Å; F33-A84 HydrophobicContact CE1-CB 3.96Å; D82-A84 PolarHBondContact O-N 2.83Å; A84-Y86 HydrophobicContact CB-CE2 4.32Å; A84-Y86 VanDerWaalsContact O-CD2 3.27Å; A84-Y86 WeakPolarHBondContact O-CD2 3.17Å; A84-Y86 VanDerWaalsContact O-CE2 3.28Å; A84-Y86 WeakPolarHBondContact O-CE2 3.46Å
85	T	90.1	Very high	82.3	Confident	59 Å²	59	61.4 Å²	61.4	36%	0.362	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	129.8	165.2	-51	0	0	0	0	109.3	R31 Q32 Y87	R31-T85 CarbonylContact C-O 3.5Å; R31-T85 VanDerWaalsContact CA-O 3.31Å; R31-T85 WeakPolarHBondContact CA-O 3.44Å; Q32-T85 PolarHBondContact N-O 3.03Å; Q32-T85 PolarHBondContact O-N 3.47Å; T85-Y87 HydrophobicContact CG2-CD1 4.24Å; T85-Y87 HydrophobicContact CG2-CE1 3.4Å; T85-Y87 VanDerWaalsContact CG2-CE1 3.4Å; T85-Y87 HydrophobicContact CG2-CE2 4.16Å; T85-Y87 WeakPolarHBondContact CG2-OH 3.43Å
86	Y	90.1	Very high	80	Confident	18 Å²	18	65.4 Å²	65.4	7%	0.071	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132.2	-176.6	-66.4	-97.7	0	0	0	110.9	L10 L12 R31 M41 L73 D82 A84 G105	L10-Y86 HydrophobicContact CD2-CE2 4.04Å; L12-Y86 HydrophobicContact CD1-CD1 3.42Å; L12-Y86 VanDerWaalsContact CD1-CD1 3.42Å; L12-Y86 HydrophobicContact CD1-CD2 3.86Å; L12-Y86 HydrophobicContact CD1-CE1 4.02Å; L12-Y86 HydrophobicContact CD1-CE2 4.44Å; L12-Y86 HydrophobicContact CD1-CG 3.32Å; R31-Y86 HydrophobicContact CB-CD1 3.83Å; R31-Y86 HydrophobicContact CB-CE1 3.84Å; R31-Y86 HydrophobicContact CB-CG 4.41Å; M41-Y86 HydrophobicContact CE-CD1 4.48Å; M41-Y86 HydrophobicContact CE-CE1 3.87Å; M41-Y86 HydrophobicContact SD-CD1 3.7Å; M41-Y86 HydrophobicContact SD-CE1 3.57Å; M41-Y86 VanDerWaalsContact SD-CE1 3.57Å; L73-Y86 HydrophobicContact CD2-CD1 4.21Å; L73-Y86 HydrophobicContact CD2-CE1 4.49Å; D82-Y86 PolarHBondContact O-OH 2.6Å; A84-Y86 HydrophobicContact CB-CE2 4.32Å; A84-Y86 VanDerWaalsContact O-CD2 3.27Å; A84-Y86 WeakPolarHBondContact O-CD2 3.17Å; A84-Y86 VanDerWaalsContact O-CE2 3.28Å; A84-Y86 WeakPolarHBondContact O-CE2 3.46Å; Y86-G105 PolarHBondContact O-N 3.09Å
87	Y	88.4	Confident	77.8	Confident	31 Å²	31	71.5 Å²	71.5	12%	0.122	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	143.7	-175	-58.2	-55.8	0	0	0	110.8	I30 Q32 T85 Y101 Q104	I30-Y87 PolarHBondContact N-O 2.85Å; I30-Y87 PolarHBondContact O-N 2.81Å; Q32-Y87 HydrophobicContact CB-CD2 4.08Å; Q32-Y87 HydrophobicContact CB-CE2 3.44Å; Q32-Y87 VanDerWaalsContact CB-CE2 3.44Å; Q32-Y87 HydrophobicContact CG-CE2 4.31Å; Q32-Y87 PolarHBondContact OE1-OH 3.32Å; T85-Y87 HydrophobicContact CG2-CD1 4.24Å; T85-Y87 HydrophobicContact CG2-CE1 3.4Å; T85-Y87 VanDerWaalsContact CG2-CE1 3.4Å; T85-Y87 HydrophobicContact CG2-CE2 4.16Å; T85-Y87 WeakPolarHBondContact CG2-OH 3.43Å; Y87-Y101 HydrophobicContact CD1-CD2 4.24Å; Y87-Y101 AromaticContact CD1-CE2 3.15Å; Y87-Y101 HydrophobicContact CD1-CE2 3.15Å; Y87-Y101 AromaticContact CD1-CZ 3.49Å; Y87-Y101 VanDerWaalsContact CD1-CZ 3.49Å; Y87-Y101 VanDerWaalsContact CD1-OH 3.24Å; Y87-Y101 WeakPolarHBondContact CD1-OH 3.36Å; Y87-Y101 HydrophobicContact CD2-CE2 4.33Å; Y87-Y101 AromaticContact CE1-CE2 3.42Å; Y87-Y101 HydrophobicContact CE1-CE2 3.42Å; Y87-Y101 VanDerWaalsContact CE1-CE2 3.42Å; Y87-Y101 AromaticContact CE1-CZ 3.55Å; Y87-Y101 WeakPolarHBondContact CE1-OH 3.21Å; Y87-Y101 HydrophobicContact CE2-CE2 4.49Å; Y87-Y101 HydrophobicContact CG-CD2 4.42Å; Y87-Y101 AromaticContact CG-CE2 3.65Å; Y87-Y101 HydrophobicContact CG-CE2 3.65Å; Y87-Q104 HydrophobicContact CD1-CG 4.34Å; Y87-Q104 HydrophobicContact CE1-CG 3.9Å
88	C	89.6	Confident	75.7	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.007	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	143	168	14.9	0	0	0	0	111.1	C14 H28 F71 W102	C14-C88 HydrophobicContact CB-CB 3.6Å; C14-C88 WeakPolarHBondContact CB-SG 3.34Å; C14-C88 WeakPolarHBondContact SG-CB 3.25Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.5Å; H28-C88 WeakPolarHBondContact O-CA 3.44Å; F71-C88 HydrophobicContact CE1-CB 4.32Å; F71-C88 HydrophobicContact CE2-CB 3.79Å; F71-C88 HydrophobicContact CZ-CB 3.31Å; C88-W102 PolarHBondContact O-N 2.95Å; C88-W102 PolarHBondContact SG-O 3.18Å
89	A	87.4	Confident	73.9	Confident	3 Å²	3	75.4 Å²	75.4	3%	0.025	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	154.1	179.8	0	0	0	0	0	112.3	W27 H28 I30 F99 A100	W27-A89 CarbonylContact C-O 3.56Å; W27-A89 WeakPolarHBondContact CA-O 3.43Å; H28-A89 HydrophobicContact CB-CB 4.31Å; H28-A89 PolarHBondContact N-O 3.32Å; H28-A89 PolarHBondContact O-N 2.86Å; I30-A89 HydrophobicContact CD1-CB 4.03Å; A89-F99 HydrophobicContact CB-CB 3.82Å; A89-F99 HydrophobicContact CB-CD1 3.61Å; A89-F99 HydrophobicContact CB-CG 4.14Å; A89-A100 WeakPolarHBondContact CA-O 3.41Å
90	R	86.7	Confident	72.2	Confident	37 Å²	37	74.1 Å²	74.1	14%	0.14	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	140.7	178.6	-173.6	-173.9	69.3	179.7	-2.7	110.9	Y25 S26 W27 A100	Y25-R90 HydrophobicContact CD1-CG 3.94Å; Y25-R90 HydrophobicContact CD2-CG 4.5Å; Y25-R90 HydrophobicContact CG-CG 3.84Å; S26-R90 WeakPolarHBondContact O-CA 3.24Å; W27-R90 HydrophobicContact CE3-CB 3.92Å; W27-R90 HydrophobicContact CE3-CG 4Å; W27-R90 HydrophobicContact CH2-CB 4.28Å; W27-R90 VanDerWaalsContact CH2-CD 3.44Å; W27-R90 HydrophobicContact CH2-CG 3.73Å; W27-R90 HydrophobicContact CZ2-CG 4.28Å; W27-R90 HydrophobicContact CZ3-CB 3.61Å; W27-R90 HydrophobicContact CZ3-CG 3.57Å; R90-A100 PolarHBondContact N-O 3.2Å
91	R	81.9	Confident	70.6	Confident	123 Å²	123	74.4 Å²	74.4	46%	0.464	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132	171.3	-173.4	179.7	179.7	-163.5	0	111.2	Y25 S26	Y25-R91 WeakPolarHBondContact CA-O 3.31Å; S26-R91 PolarHBondContact N-O 3.11Å; S26-R91 PolarHBondContact O-N 3.45Å
92	G	70.8	Confident	69.2	Low	35 Å²	35	69.9 Å²	69.9	36%	0.361	38%	0.376	S	S	.	.			trans	-105.5	165.6	176.6	0	0	0	0	0	114.6	Y25 G94	Y25-G92 VanDerWaalsContact CD1-CA 3.49Å; G92-G94 PolarHBondContact O-N 2.82Å
93	Y	56.3	Low	67.7	Low	188 Å²	188	71.5 Å²	71.5	74%	0.737	39%	0.393	S	S	*	.	S	Bend	trans	-75.5	98.7	169.1	-86.1	-93.7	0	0	0	109.5	H45 Y46	H45-Y93 AromaticContact NE2-CE2 3.5Å; Y46-Y93 HydrophobicContact CE1-CE2 4.27Å
94	G	51.9	Low	66.1	Low	55 Å²	55	73.1 Å²	73.1	57%	0.567	39%	0.394	S	S	*	.	S	Bend	trans	139.1	97.1	176.5	0	0	0	0	0	112.2	G92 S96	G92-G94 PolarHBondContact O-N 2.82Å; G94-S96 PolarHBondContact O-N 2.79Å; G94-S96 VanDerWaalsContact O-N 3.17Å
95	S	49.9	Very low	64.2	Low	127 Å²	127	72.8 Å²	72.8	89%	0.888	39%	0.393	S	S	*	.	S	Bend	trans	24.2	76.9	157.6	62.8	0	0	0	0	117.4
96	S	44.7	Very low	62	Low	84 Å²	84	77.6 Å²	77.6	59%	0.587	42%	0.423	S	S	*	.			trans	-172.1	133.1	137.1	51.4	0	0	0	0	108	G94 A98	G94-S96 PolarHBondContact O-N 2.79Å; G94-S96 VanDerWaalsContact O-N 3.17Å; S96-A98 PolarHBondContact O-N 3.47Å
97	Y	45.1	Very low	60.6	Low	196 Å²	196	80.6 Å²	80.6	77%	0.769	44%	0.44	S	S	*	.			trans	-71.4	26.3	172.2	-64.2	-90.6	0	0	0	112	F99	Y97-F99 VanDerWaalsContact C-N 3.3Å; Y97-F99 PolarHBondContact O-N 3Å
98	A	43.3	Very low	59.2	Low	66 Å²	66	83.2 Å²	83.2	55%	0.545	46%	0.457	S	S	.	.			trans	-76.6	87.4	178	0	0	0	0	0	107.8	S96 A100	S96-A98 PolarHBondContact O-N 3.47Å; A98-A100 PolarHBondContact O-N 3.38Å
99	F	52.1	Low	57.5	Low	102 Å²	102	87.7 Å²	87.7	45%	0.447	48%	0.482	S	S	.	.			trans	-57.2	94.9	159	-66.9	-74.7	0	0	0	106.7	I30 A89 Y97 Y101	I30-F99 HydrophobicContact CD1-CD1 4.04Å; I30-F99 HydrophobicContact CD1-CE1 4.17Å; I30-F99 HydrophobicContact CD1-CG 4.36Å; A89-F99 HydrophobicContact CB-CB 3.82Å; A89-F99 HydrophobicContact CB-CD1 3.61Å; A89-F99 HydrophobicContact CB-CG 4.14Å; Y97-F99 VanDerWaalsContact C-N 3.3Å; Y97-F99 PolarHBondContact O-N 3Å; F99-Y101 PolarHBondContact O-N 3.41Å
100	A	50.4	Low	55.7	Low	35 Å²	35	92.7 Å²	92.7	29%	0.289	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	115.7	167.4	0	0	0	0	0	105.5	A89 R90 A98 W102	A89-A100 WeakPolarHBondContact CA-O 3.41Å; R90-A100 PolarHBondContact N-O 3.2Å; A98-A100 PolarHBondContact O-N 3.38Å; A100-W102 HydrophobicContact CB-CZ2 4.46Å; A100-W102 VanDerWaalsContact CB-NE1 3.26Å; A100-W102 PolarHBondContact O-N 2.58Å; A100-W102 PolarHBondContact O-NE1 2.67Å
101	Y	52.8	Low	53.8	Low	129 Å²	129	96.2 Å²	96.2	51%	0.506	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	113.2	179.9	179.4	-88.4	0	0	0	108	Y87 F99 Q104	Y87-Y101 HydrophobicContact CD1-CD2 4.24Å; Y87-Y101 AromaticContact CD1-CE2 3.15Å; Y87-Y101 HydrophobicContact CD1-CE2 3.15Å; Y87-Y101 AromaticContact CD1-CZ 3.49Å; Y87-Y101 VanDerWaalsContact CD1-CZ 3.49Å; Y87-Y101 VanDerWaalsContact CD1-OH 3.24Å; Y87-Y101 WeakPolarHBondContact CD1-OH 3.36Å; Y87-Y101 HydrophobicContact CD2-CE2 4.33Å; Y87-Y101 AromaticContact CE1-CE2 3.42Å; Y87-Y101 HydrophobicContact CE1-CE2 3.42Å; Y87-Y101 VanDerWaalsContact CE1-CE2 3.42Å; Y87-Y101 AromaticContact CE1-CZ 3.55Å; Y87-Y101 WeakPolarHBondContact CE1-OH 3.21Å; Y87-Y101 HydrophobicContact CE2-CE2 4.49Å; Y87-Y101 HydrophobicContact CG-CD2 4.42Å; Y87-Y101 AromaticContact CG-CE2 3.65Å; Y87-Y101 HydrophobicContact CG-CE2 3.65Å; F99-Y101 PolarHBondContact O-N 3.41Å; Y101-Q104 VanDerWaalsContact OH-CG 3.25Å; Y101-Q104 WeakPolarHBondContact OH-CG 3.37Å
102	W	56.6	Low	51.9	Low	55 Å²	55	94.4 Å²	94.4	21%	0.208	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	72.1	-178.5	-70.2	97.7	0	0	0	109.4	C14 T17 Y19 C88 A100	C14-W102 PolarHBondContact SG-O 2.83Å; T17-W102 WeakPolarHBondContact O-CZ3 3.37Å; Y19-W102 AromaticContact CD2-CH2 3.49Å; Y19-W102 HydrophobicContact CD2-CH2 3.49Å; Y19-W102 VanDerWaalsContact CD2-CH2 3.49Å; Y19-W102 AromaticContact CD2-CZ2 3.77Å; Y19-W102 HydrophobicContact CD2-CZ2 3.77Å; Y19-W102 HydrophobicContact CD2-CZ3 4.4Å; Y19-W102 AromaticContact CE2-CH2 3.54Å; Y19-W102 HydrophobicContact CE2-CH2 3.54Å; Y19-W102 AromaticContact CE2-CZ2 3.77Å; Y19-W102 HydrophobicContact CE2-CZ2 3.77Å; C88-W102 PolarHBondContact O-N 2.95Å; C88-W102 PolarHBondContact SG-O 3.18Å; A100-W102 HydrophobicContact CB-CZ2 4.46Å; A100-W102 VanDerWaalsContact CB-NE1 3.26Å; A100-W102 PolarHBondContact O-N 2.58Å; A100-W102 PolarHBondContact O-NE1 2.67Å
103	G	54.8	Low	50.6	Low	37 Å²	37	98.6 Å²	98.6	38%	0.381	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	72.8	165.3	170.7	0	0	0	0	0	115.7
104	Q	53.7	Low	50.1	Low	131 Å²	131	91.8 Å²	91.8	61%	0.612	53%	0.534	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	123.6	163.8	-75.3	179.6	-26.7	0	0	107.1	Y87 Y101 T106	Y87-Q104 HydrophobicContact CD1-CG 4.34Å; Y87-Q104 HydrophobicContact CE1-CG 3.9Å; Y101-Q104 VanDerWaalsContact OH-CG 3.25Å; Y101-Q104 WeakPolarHBondContact OH-CG 3.37Å; Q104-T106 PolarHBondContact O-N 3.43Å
105	G	50.8	Low	50	Low	16 Å²	16	94.8 Å²	94.8	17%	0.165	53%	0.532	C	S	.	.			trans	-60.5	129.2	166.5	0	0	0	0	0	108.1	Y86	Y86-G105 PolarHBondContact O-N 3.09Å
106	T	45.6	Very low	50	Low	160 Å²	160	91.9 Å²	91.9	98%	0.982	50%	0.499	S	S	*	.			trans	-77.4	0	168.3	50.9	0	0	0	0	110	Q104	Q104-T106 PolarHBondContact O-N 3.43Å

Retrieved 106 of 106 residues in 34.5 ms (Link to these results)

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