X5J4V1_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4V1, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-62, Length 91 aa.

						>X5J4V1_MOUSE|X5J4V1|Ighv1-62
AELVKPGASVKLSCKASGYTFTKYWMHWVKQRPGQGLEWIGEINPSNGGTNYNEKFKSKATLTVDKSSSTAYMQLSSLTSEDSAVYYCTTN
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	A	68.4	Low	88.2	Confident	157 Å²	157	99.8 Å²	99.8	100%	1.298	60%	0.6	S	S	*	*				0	135.8	0	0	0	0	0	0	107.7
2	E	77.8	Confident	88.9	Confident	121 Å²	121	94.7 Å²	94.7	57%	0.565	57%	0.567	S	S	*	*			trans	-109.2	125.1	-178.8	-165.5	172.4	170.8	0	0	108.9	V4 V10	E2-V4 HydrophobicContact CG-CG1 4.09Å; E2-V10 HydrophobicContact CG-CG2 4.4Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.31Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.32Å
3	L	84.8	Confident	89.6	Confident	175 Å²	175	93.8 Å²	93.8	92%	0.916	57%	0.568	S	S	*	*			trans	-105.9	119.3	177.1	-69.6	173.1	0	0	0	108.2
4	V	88.2	Confident	90.1	Very high	65 Å²	65	88.1 Å²	88.1	39%	0.394	53%	0.534	S	S	.	.			trans	-124.7	148.9	-175.3	-71.2	0	0	0	0	110.2	E2 A8 V10 L78	E2-V4 HydrophobicContact CG-CG1 4.09Å; V4-A8 HydrophobicContact CB-CB 4.47Å; V4-V10 HydrophobicContact CG1-CB 4.47Å; V4-L78 HydrophobicContact CB-CD1 4.33Å; V4-L78 HydrophobicContact CG2-CD1 3.44Å; V4-L78 VanDerWaalsContact CG2-CD1 3.44Å
5	K	88.8	Confident	90.6	Very high	175 Å²	175	92.5 Å²	92.5	76%	0.761	54%	0.543	S	S	*	.			trans	-70.4	147.3	176.4	-63.9	-178.1	-177.3	179	0	109.8	G7 A8	K5-G7 PolarHBondContact O-N 3.03Å; K5-A8 WeakPolarHBondContact O-CB 3.39Å; K5-A8 PolarHBondContact O-N 3.28Å; K5-A8 VanDerWaalsContact O-N 3.11Å
6	P	89.4	Confident	90.9	Very high	119 Å²	119	87.4 Å²	87.4	77%	0.773	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	140.7	169.6	-25.3	34.5	0	0	0	111.5	A8	P6-A8 PolarHBondContact O-N 3.26Å
7	G	91.1	Very high	91	Very high	52 Å²	52	88.1 Å²	88.1	54%	0.536	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	-11.2	-177.2	0	0	0	0	0	115.1	K5 L78	K5-G7 PolarHBondContact O-N 3.03Å; G7-L78 PolarHBondContact N-O 3.27Å
8	A	94.1	Very high	91.1	Very high	37 Å²	37	88.3 Å²	88.3	31%	0.306	55%	0.548	S	S	.	.			trans	-70.4	169.3	173.7	0	0	0	0	0	111.7	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.47Å; K5-A8 WeakPolarHBondContact O-CB 3.39Å; K5-A8 PolarHBondContact O-N 3.28Å; K5-A8 VanDerWaalsContact O-N 3.11Å; P6-A8 PolarHBondContact O-N 3.26Å; A8-S77 PolarHBondContact O-N 3.14Å; A8-L78 WeakPolarHBondContact O-CB 3.37Å; A8-L78 VanDerWaalsContact O-CG 3.27Å; A8-L78 WeakPolarHBondContact O-CG 3.48Å; A8-L78 PolarHBondContact O-N 2.81Å
9	S	95.3	Very high	91.1	Very high	64 Å²	64	87.9 Å²	87.9	45%	0.448	54%	0.536	S	S	.	.			trans	-112.5	147.8	171.8	-57.5	0	0	0	0	109.8	L75	S9-L75 CarbonylContact C-O 3.46Å; S9-L75 WeakPolarHBondContact CA-O 3.41Å; S9-L75 WeakPolarHBondContact CB-O 3.42Å
10	V	95.6	Very high	91.3	Very high	15 Å²	15	87.2 Å²	87.2	9%	0.091	53%	0.532	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.5	175.5	69.1	0	0	0	0	110	E2 V4 L12 Q74 L75 L78	E2-V10 HydrophobicContact CG-CG2 4.4Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.31Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.32Å; V4-V10 HydrophobicContact CG1-CB 4.47Å; V10-L12 HydrophobicContact CG2-CD2 4.13Å; V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.45Å; V10-L75 HydrophobicContact CG1-CB 4.03Å; V10-L75 HydrophobicContact CG1-CD1 4.36Å; V10-L75 PolarHBondContact N-O 3.43Å; V10-L75 PolarHBondContact O-N 2.99Å; V10-L78 HydrophobicContact CB-CD1 3.97Å; V10-L78 HydrophobicContact CG1-CD1 3.72Å; V10-L78 HydrophobicContact CG1-CD2 4.39Å
11	K	96.7	Very high	91.5	Very high	118 Å²	118	83.4 Å²	83.4	51%	0.513	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	107.9	174.7	-173.3	177.1	-179.4	179.3	0	109.8	Y72	K11-Y72 HydrophobicContact CD-CD1 4.36Å; K11-Y72 VanDerWaalsContact CE-CD1 3.44Å; K11-Y72 VanDerWaalsContact CE-CG 3.46Å; K11-Y72 HydrophobicContact CG-CD1 4.32Å
12	L	97	Very high	92.8	Very high	38 Å²	38	78.6 Å²	78.6	20%	0.199	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	147.5	174.2	-55.9	-178.9	0	0	0	109.9	V10 W28 Y72 M73 Y86	V10-L12 HydrophobicContact CG2-CD2 4.13Å; L12-W28 HydrophobicContact CB-CH2 4.08Å; L12-W28 HydrophobicContact CB-CZ3 3.89Å; L12-W28 HydrophobicContact CD1-CZ3 4.46Å; L12-Y72 WeakPolarHBondContact O-CA 3.37Å; L12-Y72 WeakPolarHBondContact O-CB 3.39Å; L12-M73 HydrophobicContact CD1-CE 3.7Å; L12-M73 PolarHBondContact N-O 2.75Å; L12-M73 PolarHBondContact O-N 2.91Å; L12-Y86 HydrophobicContact CD1-CD1 4.27Å; L12-Y86 HydrophobicContact CD1-CD2 4.04Å; L12-Y86 HydrophobicContact CD1-CG 3.71Å
13	S	97.6	Very high	93.6	Very high	84 Å²	84	80.1 Å²	80.1	59%	0.587	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.6	144.4	177.7	69.9	0	0	0	0	110.9	A71 Y72	S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.47Å; S13-Y72 VanDerWaalsContact CB-CD1 3.45Å
14	C	97.3	Very high	94	Very high	13 Å²	13	76.3 Å²	76.3	9%	0.088	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	108	177.4	-179.2	0	0	0	0	109.2	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.76Å; C14-W28 HydrophobicContact CB-CZ2 3.95Å; C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.13Å; C14-A71 PolarHBondContact N-O 2.75Å; C14-A71 PolarHBondContact O-N 3.19Å; C14-C88 HydrophobicContact CB-CB 3.47Å; C14-C88 VanDerWaalsContact CB-CB 3.47Å; C14-C88 WeakPolarHBondContact CB-SG 3.39Å; C14-C88 WeakPolarHBondContact SG-CB 3.46Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.33Å
15	K	96.9	Very high	94.4	Very high	154 Å²	154	76.8 Å²	76.8	67%	0.67	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	120.9	-179.7	-172.2	175.1	-176.8	178.3	0	110.1
16	A	94.7	Very high	94.9	Very high	11 Å²	11	68.5 Å²	68.5	9%	0.091	40%	0.401	C	S	.	.			trans	-75.7	146.1	175	0	0	0	0	0	111.3	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 4.13Å; A16-Y19 HydrophobicContact CB-CE2 4.05Å; A16-Y19 WeakPolarHBondContact CB-OH 3.21Å; A16-F21 HydrophobicContact CB-CB 4.12Å; A16-F21 HydrophobicContact CB-CD2 3.34Å; A16-F21 HydrophobicContact CB-CE2 4.01Å; A16-F21 HydrophobicContact CB-CG 4Å; A16-S69 PolarHBondContact N-O 2.84Å
17	S	93.8	Very high	95.3	Very high	100 Å²	100	63.9 Å²	63.9	70%	0.699	37%	0.369	S	S	*	.			trans	-151.6	151.7	172.8	64.6	0	0	0	0	110.4	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.39Å; S17-Y19 WeakPolarHBondContact O-CE1 3.43Å
18	G	93.1	Very high	95.6	Very high	91 Å²	91	61.7 Å²	61.7	94%	0.938	34%	0.344	S	S	*	.	S	Bend	trans	83.7	2	177.1	0	0	0	0	0	116
19	Y	91.1	Very high	95.8	Very high	81 Å²	81	60.9 Å²	60.9	32%	0.318	34%	0.336	S	S	.	.	S	Bend	trans	-154.4	169.1	177	60.4	-85.7	0	0	0	112	A16 S17 F21 Y24 T90	A16-Y19 HydrophobicContact CB-CE1 4.13Å; A16-Y19 HydrophobicContact CB-CE2 4.05Å; A16-Y19 WeakPolarHBondContact CB-OH 3.21Å; S17-Y19 WeakPolarHBondContact O-CD1 3.39Å; S17-Y19 WeakPolarHBondContact O-CE1 3.43Å; Y19-F21 PolarHBondContact O-N 3.13Å; Y19-F21 VanDerWaalsContact O-N 3.12Å; Y19-Y24 AromaticContact CD2-CD2 3.53Å; Y19-Y24 HydrophobicContact CD2-CD2 3.53Å; Y19-Y24 AromaticContact CD2-CE2 3.95Å; Y19-Y24 HydrophobicContact CD2-CE2 3.95Å; Y19-Y24 HydrophobicContact CD2-CG 4.4Å; Y19-Y24 HydrophobicContact CE2-CD2 4.02Å; Y19-Y24 HydrophobicContact CG-CD2 4.42Å; Y19-Y24 HydrophobicContact CG-CE2 4.46Å; Y19-T90 HydrophobicContact CE2-CG2 3.88Å; Y19-T90 WeakPolarHBondContact OH-CG2 2.96Å
20	T	94.6	Very high	95.9	Very high	74 Å²	74	57.9 Å²	57.9	45%	0.454	31%	0.314	S	S	.	.			trans	-73.2	100.7	173.6	-49.6	0	0	0	0	110.1	T22 K23	T20-T22 PolarHBondContact O-N 3.23Å; T20-T22 VanDerWaalsContact O-N 3.08Å; T20-K23 HydrophobicContact CG2-CD 4.23Å; T20-K23 HydrophobicContact CG2-CG 3.91Å; T20-K23 WeakPolarHBondContact O-CB 3.46Å; T20-K23 PolarHBondContact O-N 2.93Å
21	F	94.5	Very high	95.9	Very high	7 Å²	7	60.3 Å²	60.3	3%	0.031	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-49.6	-38.5	-175.3	177.5	-125.7	0	0	0	114.4	A16 Y19 K23 M26 P45 V64 A71	A16-F21 HydrophobicContact CB-CB 4.12Å; A16-F21 HydrophobicContact CB-CD2 3.34Å; A16-F21 HydrophobicContact CB-CE2 4.01Å; A16-F21 HydrophobicContact CB-CG 4Å; Y19-F21 PolarHBondContact O-N 3.13Å; Y19-F21 VanDerWaalsContact O-N 3.12Å; F21-K23 VanDerWaalsContact C-N 3.25Å; F21-K23 PolarHBondContact O-N 3.46Å; F21-M26 HydrophobicContact CE2-CE 3.96Å; F21-P45 HydrophobicContact CD1-CB 3.84Å; F21-P45 HydrophobicContact CD1-CG 4.48Å; F21-P45 HydrophobicContact CD2-CB 4.41Å; F21-P45 HydrophobicContact CD2-CG 4.19Å; F21-P45 HydrophobicContact CE1-CB 3.54Å; F21-P45 HydrophobicContact CE1-CG 4.13Å; F21-P45 HydrophobicContact CE2-CB 4.13Å; F21-P45 HydrophobicContact CE2-CG 3.79Å; F21-P45 HydrophobicContact CG-CB 4.3Å; F21-P45 HydrophobicContact CZ-CB 3.7Å; F21-P45 HydrophobicContact CZ-CG 3.76Å; F21-V64 HydrophobicContact CE1-CB 4.46Å; F21-V64 HydrophobicContact CZ-CG1 4.15Å; F21-A71 HydrophobicContact CE2-CB 4.42Å; F21-A71 HydrophobicContact CZ-CB 4.1Å
22	T	95.7	Very high	95.8	Very high	57 Å²	57	57 Å²	57	35%	0.35	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-73.3	-8.9	-178.2	53.8	0	0	0	0	115	T20 S46 K66	T20-T22 PolarHBondContact O-N 3.23Å; T20-T22 VanDerWaalsContact O-N 3.08Å; T22-S46 WeakPolarHBondContact O-CB 3.5Å; T22-K66 HydrophobicContact CG2-CD 4.46Å
23	K	94.9	Very high	95.5	Very high	153 Å²	153	60.9 Å²	60.9	67%	0.665	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-87.1	-15.4	-179.8	-71.3	-171.7	176.8	-179.2	0	114.2	T20 F21	T20-K23 HydrophobicContact CG2-CD 4.23Å; T20-K23 HydrophobicContact CG2-CG 3.91Å; T20-K23 WeakPolarHBondContact O-CB 3.46Å; T20-K23 PolarHBondContact O-N 2.93Å; F21-K23 VanDerWaalsContact C-N 3.25Å; F21-K23 PolarHBondContact O-N 3.46Å
24	Y	94.4	Very high	95.2	Very high	95 Å²	95	61.2 Å²	61.2	37%	0.373	35%	0.354	S	S	.	.	S	Bend	trans	-125.3	140.3	-171.4	-60.2	-90.8	0	0	0	110.7	Y19 P45 N91	Y19-Y24 AromaticContact CD2-CD2 3.53Å; Y19-Y24 HydrophobicContact CD2-CD2 3.53Å; Y19-Y24 AromaticContact CD2-CE2 3.95Å; Y19-Y24 HydrophobicContact CD2-CE2 3.95Å; Y19-Y24 HydrophobicContact CD2-CG 4.4Å; Y19-Y24 HydrophobicContact CE2-CD2 4.02Å; Y19-Y24 HydrophobicContact CG-CD2 4.42Å; Y19-Y24 HydrophobicContact CG-CE2 4.46Å; Y24-P45 WeakPolarHBondContact O-CD 3.47Å; Y24-P45 WeakPolarHBondContact O-CG 3.25Å; Y24-N91 WeakPolarHBondContact CD1-O 3.48Å
25	W	96.9	Very high	94.9	Very high	74 Å²	74	65.2 Å²	65.2	28%	0.28	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-68.4	142	170.2	-70.9	70.6	0	0	0	109.5	E42 N44 T90	W25-E42 HydrophobicContact CE3-CB 4Å; W25-E42 VanDerWaalsContact CE3-CD 3.47Å; W25-E42 HydrophobicContact CE3-CG 3.47Å; W25-E42 VanDerWaalsContact CE3-CG 3.47Å; W25-E42 HydrophobicContact CZ3-CG 3.7Å; W25-N44 HydrophobicContact CD2-CB 3.77Å; W25-N44 HydrophobicContact CE3-CB 3.83Å; W25-N44 HydrophobicContact CH2-CB 3.86Å; W25-N44 HydrophobicContact CZ2-CB 3.76Å; W25-N44 HydrophobicContact CZ3-CB 3.87Å; W25-T90 WeakPolarHBondContact O-CA 3.11Å
26	M	97.5	Very high	94.7	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	117.8	173.6	-176	63.4	67.2	0	0	109	F21 E42 I43 A71 C88 T89 T90	F21-M26 HydrophobicContact CE2-CE 3.96Å; M26-E42 CarbonylContact O-C 3.57Å; M26-E42 WeakPolarHBondContact O-CA 3.27Å; M26-I43 HydrophobicContact CB-CG2 4.04Å; M26-I43 PolarHBondContact N-O 2.82Å; M26-I43 PolarHBondContact O-N 2.82Å; M26-A71 HydrophobicContact CB-CB 4.12Å; M26-A71 HydrophobicContact CG-CB 3.65Å; M26-C88 HydrophobicContact SD-CB 3.8Å; M26-T89 VanDerWaalsContact SD-O 3.41Å; M26-T90 HydrophobicContact CE-CG2 3.72Å; M26-T90 HydrophobicContact SD-CG2 4.2Å
27	H	98	Very high	94.7	Very high	22 Å²	22	65.5 Å²	65.5	10%	0.102	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	143.6	179.9	-57.6	-105.1	0	0	0	110.1	W39 E42 C88 T89 N91	H27-W39 AromaticContact ND1-NE1 3.49Å; H27-W39 PolarHBondContact ND1-NE1 2.91Å; H27-E42 IonicContact CE1-OE2 2.93Å; H27-E42 PolarHBondContact CE1-OE2 2.8Å; H27-E42 IonicContact ND1-OE2 3.46Å; H27-E42 PolarHBondContact ND1-OE2 3.13Å; H27-E42 IonicContact NE2-OE2 3.63Å; H27-C88 VanDerWaalsContact O-CA 3.25Å; H27-C88 WeakPolarHBondContact O-CA 3.29Å; H27-T89 HydrophobicContact CB-CG2 3.85Å; H27-T89 PolarHBondContact N-O 2.92Å; H27-T89 PolarHBondContact O-N 2.64Å; H27-N91 PolarHBondContact NE2-ND2 2.69Å; H27-N91 PolarHBondContact NE2-OD1 3.46Å; H27-N91 VanDerWaalsContact NE2-OD1 3.08Å
28	W	98.3	Very high	94.9	Very high	6 Å²	6	62.4 Å²	62.4	2%	0.023	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.9	173.6	-68.4	89.2	0	0	0	110.1	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.08Å; L12-W28 HydrophobicContact CB-CZ3 3.89Å; L12-W28 HydrophobicContact CD1-CZ3 4.46Å; C14-W28 HydrophobicContact CB-CH2 3.76Å; C14-W28 HydrophobicContact CB-CZ2 3.95Å; W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.38Å; W28-I40 WeakPolarHBondContact O-CB 3.44Å; W28-I40 PolarHBondContact O-N 3.46Å; W28-G41 PolarHBondContact N-O 3.49Å; W28-L62 HydrophobicContact CG-CD2 4.1Å; W28-A71 HydrophobicContact CZ2-CB 4.26Å; W28-M73 HydrophobicContact CB-SD 3.87Å; W28-M73 HydrophobicContact CD2-CB 3.64Å; W28-M73 HydrophobicContact CD2-CE 4.23Å; W28-M73 HydrophobicContact CD2-CG 4.45Å; W28-M73 HydrophobicContact CD2-SD 4.08Å; W28-M73 HydrophobicContact CE3-CB 3.86Å; W28-M73 HydrophobicContact CE3-CE 3.71Å; W28-M73 HydrophobicContact CE3-SD 4.18Å; W28-M73 HydrophobicContact CG-CB 4.19Å; W28-M73 HydrophobicContact CG-SD 3.97Å; W28-M73 HydrophobicContact CH2-CB 4.03Å; W28-M73 HydrophobicContact CZ2-CB 3.85Å; W28-M73 HydrophobicContact CZ3-CB 4.05Å; W28-M73 HydrophobicContact CZ3-CE 4.29Å; W28-Y87 WeakPolarHBondContact CA-O 3.31Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.22Å; W28-C88 HydrophobicContact CH2-CB 4.37Å; W28-C88 HydrophobicContact CZ3-CB 4.19Å
29	V	97.8	Very high	95.1	Very high	21 Å²	21	62.2 Å²	62.2	13%	0.127	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	137.7	-175.1	-174.3	0	0	0	0	109.4	L37 E38 Y86 Y87	V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.8Å; V29-L37 HydrophobicContact CG1-CG 4.27Å; V29-E38 WeakPolarHBondContact CA-O 3.49Å; V29-Y86 CarbonylContact O-C 3.51Å; V29-Y86 WeakPolarHBondContact O-CA 3.43Å; V29-Y87 PolarHBondContact N-O 2.63Å; V29-Y87 PolarHBondContact O-N 3.13Å
30	K	96.6	Very high	95.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	137	176.1	-179.6	-178.6	-178.5	177	0	109.6	R32 E38 I40 F56 E81 D82 A84 Y86	K30-R32 VanDerWaalsContact NZ-NH2 3.11Å; K30-E38 HydrophobicContact CB-CB 4.39Å; K30-E38 PolarHBondContact N-O 2.82Å; K30-E38 PolarHBondContact O-N 2.64Å; K30-I40 HydrophobicContact CB-CD1 3.77Å; K30-I40 HydrophobicContact CB-CG1 4.13Å; K30-F56 HydrophobicContact CD-CE1 3.91Å; K30-F56 HydrophobicContact CD-CZ 4.07Å; K30-E81 WeakPolarHBondContact CE-O 3.42Å; K30-E81 PolarHBondContact NZ-O 2.93Å; K30-D82 IonicContact NZ-OD1 3.66Å; K30-D82 PolarHBondContact NZ-OD1 3.44Å; K30-A84 HydrophobicContact CD-CB 4.2Å; K30-A84 HydrophobicContact CG-CB 3.5Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.91Å; K30-Y86 HydrophobicContact CD-CE1 3.98Å; K30-Y86 HydrophobicContact CG-CD1 4.3Å; K30-Y86 HydrophobicContact CG-CE1 3.75Å
31	Q	96.4	Very high	95.6	Very high	67 Å²	67	54.8 Å²	54.8	31%	0.313	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	116.7	173	-165.7	-178.1	27.8	0	0	110.5	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.83Å; Q31-L37 HydrophobicContact CG-CD2 3.9Å; Q31-A84 WeakPolarHBondContact O-CA 3.32Å; Q31-A84 WeakPolarHBondContact O-CB 3.15Å; Q31-V85 PolarHBondContact N-O 3.49Å; Q31-V85 PolarHBondContact O-N 3.49Å; Q31-Y87 HydrophobicContact CB-CD2 4.35Å; Q31-Y87 HydrophobicContact CB-CE2 3.75Å; Q31-Y87 PolarHBondContact OE1-OH 3.49Å; Q31-Y87 VanDerWaalsContact OE1-OH 3.14Å
32	R	94.1	Very high	95.8	Very high	48 Å²	48	56 Å²	56	18%	0.181	31%	0.305	C	S	.	.			trans	-90.3	148.4	169.8	-62.9	-167.6	-169.4	105.3	-5.7	110.5	K30 G34 Q35 E38 E81 A84	K30-R32 VanDerWaalsContact NZ-NH2 3.11Å; R32-G34 PolarHBondContact O-N 2.93Å; R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.03Å; R32-Q35 PolarHBondContact O-N 2.95Å; R32-E38 IonicContact CZ-OE2 3.19Å; R32-E38 IonicContact NH1-OE2 3.41Å; R32-E38 PolarHBondContact NH1-OE2 3.19Å; R32-E81 VanDerWaalsContact CZ-O 3.25Å; R32-E81 PolarHBondContact NE-O 2.6Å; R32-E81 PolarHBondContact NH2-O 3.18Å; R32-A84 HydrophobicContact CG-CB 4.1Å
33	P	91.4	Very high	95.9	Very high	120 Å²	120	53.4 Å²	53.4	78%	0.779	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	127.4	171.2	-24.5	34.1	0	0	0	111.1	Q35	P33-Q35 PolarHBondContact O-N 3.47Å
34	G	91.3	Very high	96	Very high	91 Å²	91	47 Å²	47	94%	0.938	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	4.3	-179.8	0	0	0	0	0	115.7	R32	R32-G34 PolarHBondContact O-N 2.93Å
35	Q	91.3	Very high	96.1	Very high	97 Å²	97	42.5 Å²	42.5	45%	0.453	24%	0.244	S	C	.	.	S	Bend	trans	-115.4	161.6	173.8	-56.5	-173.5	-1.3	0	0	111.2	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.03Å; R32-Q35 PolarHBondContact O-N 2.95Å; P33-Q35 PolarHBondContact O-N 3.47Å
36	G	92.3	Very high	96.1	Very high	55 Å²	55	41.4 Å²	41.4	57%	0.567	25%	0.248	S	C	*	.			trans	-68.3	175.7	173.3	0	0	0	0	0	113.1
37	L	95.5	Very high	96	Very high	116 Å²	116	46.8 Å²	46.8	61%	0.607	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	126.6	171.7	-66.8	171.6	0	0	0	109.9	V29 Q31	V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.8Å; V29-L37 HydrophobicContact CG1-CG 4.27Å; Q31-L37 HydrophobicContact CB-CD2 3.83Å; Q31-L37 HydrophobicContact CG-CD2 3.9Å
38	E	96.7	Very high	96	Very high	35 Å²	35	47.3 Å²	47.3	16%	0.164	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	114.3	173.6	-64.8	-168.3	91.5	0	0	109.4	V29 K30 R32 I40 K55 F56	V29-E38 WeakPolarHBondContact CA-O 3.49Å; K30-E38 HydrophobicContact CB-CB 4.39Å; K30-E38 PolarHBondContact N-O 2.82Å; K30-E38 PolarHBondContact O-N 2.64Å; R32-E38 IonicContact CZ-OE2 3.19Å; R32-E38 IonicContact NH1-OE2 3.41Å; R32-E38 PolarHBondContact NH1-OE2 3.19Å; E38-I40 PolarHBondContact O-N 2.68Å; E38-K55 IonicContact OE1-NZ 2.68Å; E38-K55 PolarHBondContact OE1-NZ 2.9Å; E38-F56 HydrophobicContact CB-CE2 4.33Å; E38-F56 HydrophobicContact CB-CZ 4.22Å
39	W	97.6	Very high	95.9	Very high	86 Å²	86	48.4 Å²	48.4	33%	0.326	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	127.6	173.8	-178.7	75.8	0	0	0	110.5	H27 G41 E42 N51 N53	H27-W39 AromaticContact ND1-NE1 3.49Å; H27-W39 PolarHBondContact ND1-NE1 2.91Å; W39-G41 PolarHBondContact NE1-O 2.93Å; W39-E42 HydrophobicContact CH2-CG 4.44Å; W39-E42 HydrophobicContact CZ2-CB 3.94Å; W39-E42 HydrophobicContact CZ2-CG 3.75Å; W39-N51 HydrophobicContact CH2-CB 4.21Å; W39-N53 HydrophobicContact CE3-CB 3.79Å; W39-N53 HydrophobicContact CZ3-CB 3.99Å; W39-N53 WeakPolarHBondContact O-CB 3.43Å; W39-N53 PolarHBondContact O-ND2 3.41Å
40	I	98.1	Very high	95.9	Very high	0 Å²	0	50 Å²	50	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-47	-177.5	-68	161.3	0	0	0	110.8	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.38Å; W28-I40 WeakPolarHBondContact O-CB 3.44Å; W28-I40 PolarHBondContact O-N 3.46Å; K30-I40 HydrophobicContact CB-CD1 3.77Å; K30-I40 HydrophobicContact CB-CG1 4.13Å; E38-I40 PolarHBondContact O-N 2.68Å; I40-N53 PolarHBondContact O-N 3.26Å; I40-F56 HydrophobicContact CB-CD2 4.29Å; I40-F56 HydrophobicContact CB-CG 4.29Å; I40-F56 HydrophobicContact CG1-CD1 4.1Å; I40-F56 HydrophobicContact CG1-CD2 4.07Å; I40-F56 HydrophobicContact CG1-CE1 4.15Å; I40-F56 HydrophobicContact CG1-CE2 4.12Å; I40-F56 HydrophobicContact CG1-CG 4.05Å; I40-F56 HydrophobicContact CG1-CZ 4.16Å; I40-F56 HydrophobicContact CG2-CB 3.79Å; I40-F56 HydrophobicContact CG2-CD1 4.47Å; I40-F56 HydrophobicContact CG2-CD2 4.45Å; I40-F56 HydrophobicContact CG2-CG 4.01Å; I40-A60 HydrophobicContact CG2-CB 3.83Å; I40-M73 HydrophobicContact CD1-CE 3.91Å; I40-M73 HydrophobicContact CD1-SD 3.85Å; I40-M73 HydrophobicContact CG2-SD 3.83Å; I40-Y86 HydrophobicContact CD1-CD1 3.79Å; I40-Y86 HydrophobicContact CD1-CE1 3.85Å
41	G	98.1	Very high	96	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.2	179	-172.2	0	0	0	0	0	111.8	W28 W39 N51	W28-G41 PolarHBondContact N-O 3.49Å; W39-G41 PolarHBondContact NE1-O 2.93Å; G41-N51 CarbonylContact C-O 3.53Å; G41-N51 WeakPolarHBondContact CA-O 3.07Å
42	E	98.2	Very high	96.1	Very high	32 Å²	32	53.1 Å²	53.1	15%	0.15	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	154.5	178.4	64	-174.3	-175.4	0	0	110.8	W25 M26 H27 W39 T50 N51 L62	W25-E42 HydrophobicContact CE3-CB 4Å; W25-E42 VanDerWaalsContact CE3-CD 3.47Å; W25-E42 HydrophobicContact CE3-CG 3.47Å; W25-E42 VanDerWaalsContact CE3-CG 3.47Å; W25-E42 HydrophobicContact CZ3-CG 3.7Å; M26-E42 CarbonylContact O-C 3.57Å; M26-E42 WeakPolarHBondContact O-CA 3.27Å; H27-E42 IonicContact CE1-OE2 2.93Å; H27-E42 PolarHBondContact CE1-OE2 2.8Å; H27-E42 IonicContact ND1-OE2 3.46Å; H27-E42 PolarHBondContact ND1-OE2 3.13Å; H27-E42 IonicContact NE2-OE2 3.63Å; W39-E42 HydrophobicContact CH2-CG 4.44Å; W39-E42 HydrophobicContact CZ2-CB 3.94Å; W39-E42 HydrophobicContact CZ2-CG 3.75Å; E42-T50 VanDerWaalsContact O-CA 3.3Å; E42-T50 WeakPolarHBondContact O-CA 2.96Å; E42-N51 HydrophobicContact CG-CB 3.86Å; E42-N51 PolarHBondContact N-O 3.14Å; E42-N51 PolarHBondContact O-N 3.49Å; E42-N51 PolarHBondContact OE1-ND2 2.02Å; E42-L62 WeakPolarHBondContact O-CD1 3.15Å
43	I	98.3	Very high	96.2	Very high	3 Å²	3	53 Å²	53	2%	0.015	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	133.5	173.8	-174.6	157.6	0	0	0	109.8	M26 P45 G49 T50 L62 V64 A71	M26-I43 HydrophobicContact CB-CG2 4.04Å; M26-I43 PolarHBondContact N-O 2.82Å; M26-I43 PolarHBondContact O-N 2.82Å; I43-P45 VanDerWaalsContact O-CD 3.26Å; I43-P45 WeakPolarHBondContact O-CD 3.33Å; I43-G49 CarbonylContact C-O 3.59Å; I43-G49 WeakPolarHBondContact CA-O 3.27Å; I43-T50 HydrophobicContact CB-CG2 3.96Å; I43-T50 HydrophobicContact CD1-CG2 3.68Å; I43-T50 HydrophobicContact CG1-CG2 3.74Å; I43-L62 HydrophobicContact CB-CB 4.05Å; I43-L62 HydrophobicContact CB-CD1 4.29Å; I43-L62 HydrophobicContact CD1-CB 4.02Å; I43-L62 HydrophobicContact CG2-CB 4.37Å; I43-V64 HydrophobicContact CB-CG1 4.48Å; I43-V64 HydrophobicContact CD1-CB 4.48Å; I43-V64 HydrophobicContact CD1-CG1 3.75Å; I43-V64 HydrophobicContact CD1-CG2 4.28Å; I43-V64 HydrophobicContact CG1-CG1 3.86Å; I43-V64 HydrophobicContact CG2-CG1 3.8Å; I43-A71 HydrophobicContact CG2-CB 4.49Å
44	N	97.6	Very high	96.5	Very high	18 Å²	18	53.6 Å²	53.6	10%	0.096	32%	0.322	C	S	.	.			trans	-83.6	110.9	171.5	-175.5	-23.1	0	0	0	109.3	W25 S46 N47 G48 G49	W25-N44 HydrophobicContact CD2-CB 3.77Å; W25-N44 HydrophobicContact CE3-CB 3.83Å; W25-N44 HydrophobicContact CH2-CB 3.86Å; W25-N44 HydrophobicContact CZ2-CB 3.76Å; W25-N44 HydrophobicContact CZ3-CB 3.87Å; N44-S46 VanDerWaalsContact CG-OG 3.29Å; N44-S46 PolarHBondContact ND2-OG 2.81Å; N44-S46 PolarHBondContact O-N 2.9Å; N44-S46 VanDerWaalsContact OD1-CB 3.31Å; N44-S46 WeakPolarHBondContact OD1-CB 3.02Å; N44-S46 PolarHBondContact OD1-N 3.11Å; N44-S46 PolarHBondContact OD1-OG 3.48Å; N44-N47 WeakPolarHBondContact CB-OD1 3.13Å; N44-N47 PolarHBondContact ND2-OD1 3.3Å; N44-N47 PolarHBondContact O-N 3.4Å; N44-G48 VanDerWaalsContact O-CA 3.31Å; N44-G48 WeakPolarHBondContact O-CA 3.15Å; N44-G48 PolarHBondContact O-N 3.02Å; N44-G49 PolarHBondContact N-O 3.02Å
45	P	96.9	Very high	96.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-14.4	-176.9	-16.5	32.3	0	0	0	113.8	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.84Å; F21-P45 HydrophobicContact CD1-CG 4.48Å; F21-P45 HydrophobicContact CD2-CB 4.41Å; F21-P45 HydrophobicContact CD2-CG 4.19Å; F21-P45 HydrophobicContact CE1-CB 3.54Å; F21-P45 HydrophobicContact CE1-CG 4.13Å; F21-P45 HydrophobicContact CE2-CB 4.13Å; F21-P45 HydrophobicContact CE2-CG 3.79Å; F21-P45 HydrophobicContact CG-CB 4.3Å; F21-P45 HydrophobicContact CZ-CB 3.7Å; F21-P45 HydrophobicContact CZ-CG 3.76Å; Y24-P45 WeakPolarHBondContact O-CD 3.47Å; Y24-P45 WeakPolarHBondContact O-CG 3.25Å; I43-P45 VanDerWaalsContact O-CD 3.26Å; I43-P45 WeakPolarHBondContact O-CD 3.33Å; P45-V64 HydrophobicContact CB-CG1 4.12Å; P45-V64 HydrophobicContact CG-CG1 4.37Å; P45-K66 WeakPolarHBondContact O-CD 3.47Å; P45-K66 WeakPolarHBondContact O-CE 3.3Å
46	S	96.4	Very high	96.8	Very high	52 Å²	52	52 Å²	52	36%	0.364	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-42.6	177.4	70.7	0	0	0	0	112.8	T22 N44 K66	T22-S46 WeakPolarHBondContact O-CB 3.5Å; N44-S46 VanDerWaalsContact CG-OG 3.29Å; N44-S46 PolarHBondContact ND2-OG 2.81Å; N44-S46 PolarHBondContact O-N 2.9Å; N44-S46 VanDerWaalsContact OD1-CB 3.31Å; N44-S46 WeakPolarHBondContact OD1-CB 3.02Å; N44-S46 PolarHBondContact OD1-N 3.11Å; N44-S46 PolarHBondContact OD1-OG 3.48Å; S46-K66 PolarHBondContact O-NZ 3.08Å
47	N	96.1	Very high	96.9	Very high	113 Å²	113	54.8 Å²	54.8	60%	0.604	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.6	-4.9	-171.2	64.6	14	0	0	0	114.1	N44 G49	N44-N47 WeakPolarHBondContact CB-OD1 3.13Å; N44-N47 PolarHBondContact ND2-OD1 3.3Å; N44-N47 PolarHBondContact O-N 3.4Å; N47-G49 VanDerWaalsContact C-N 3.28Å; N47-G49 PolarHBondContact O-N 2.79Å; N47-G49 PolarHBondContact OD1-N 3.27Å
48	G	96	Very high	96.9	Very high	34 Å²	34	54.5 Å²	54.5	35%	0.351	29%	0.292	S	S	.	.			trans	78	8.1	-179.7	0	0	0	0	0	114.5	N44 T50	N44-G48 VanDerWaalsContact O-CA 3.31Å; N44-G48 WeakPolarHBondContact O-CA 3.15Å; N44-G48 PolarHBondContact O-N 3.02Å; G48-T50 PolarHBondContact O-N 3.25Å
49	G	97.8	Very high	96.8	Very high	28 Å²	28	55 Å²	55	29%	0.289	29%	0.294	S	S	.	.			trans	-59.1	136.1	173.9	0	0	0	0	0	110.9	I43 N44 N47	I43-G49 CarbonylContact C-O 3.59Å; I43-G49 WeakPolarHBondContact CA-O 3.27Å; N44-G49 PolarHBondContact N-O 3.02Å; N47-G49 VanDerWaalsContact C-N 3.28Å; N47-G49 PolarHBondContact O-N 2.79Å; N47-G49 PolarHBondContact OD1-N 3.27Å
50	T	98.1	Very high	96.8	Very high	54 Å²	54	51.1 Å²	51.1	33%	0.331	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.1	-177.3	50.4	0	0	0	0	111	E42 I43 G48 Y52 L62	E42-T50 VanDerWaalsContact O-CA 3.3Å; E42-T50 WeakPolarHBondContact O-CA 2.96Å; I43-T50 HydrophobicContact CB-CG2 3.96Å; I43-T50 HydrophobicContact CD1-CG2 3.68Å; I43-T50 HydrophobicContact CG1-CG2 3.74Å; G48-T50 PolarHBondContact O-N 3.25Å; T50-Y52 HydrophobicContact CG2-CE2 4.39Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.5Å; T50-L62 HydrophobicContact CG2-CB 4.01Å
51	N	97.8	Very high	96.8	Very high	82 Å²	82	54.3 Å²	54.3	44%	0.439	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	144.2	166.8	-64.9	-39.5	0	0	0	108.5	W39 G41 E42	W39-N51 HydrophobicContact CH2-CB 4.21Å; G41-N51 CarbonylContact C-O 3.53Å; G41-N51 WeakPolarHBondContact CA-O 3.07Å; E42-N51 HydrophobicContact CG-CB 3.86Å; E42-N51 PolarHBondContact N-O 3.14Å; E42-N51 PolarHBondContact O-N 3.49Å; E42-N51 PolarHBondContact OE1-ND2 2.02Å
52	Y	98.2	Very high	96.8	Very high	51 Å²	51	54.8 Å²	54.8	20%	0.2	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	149.5	-177.8	-66.2	-90.9	0	0	0	110.2	T50 K57 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.39Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.5Å; Y52-K57 HydrophobicContact CG-CG 4.41Å; Y52-A60 HydrophobicContact CD1-CB 4.47Å; Y52-A60 HydrophobicContact CE1-CB 4.21Å; Y52-A60 WeakPolarHBondContact CE1-O 3.48Å; Y52-L62 HydrophobicContact CE1-CD1 3.98Å; Y52-L62 HydrophobicContact CE1-CG 3.67Å; Y52-L62 PolarHBondContact OH-N 3.02Å
53	N	97.4	Very high	96.8	Very high	46 Å²	46	56.1 Å²	56.1	25%	0.246	31%	0.312	C	S	.	.			trans	-71.9	132	156.4	-178.1	-26.5	0	0	0	108.5	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.79Å; W39-N53 HydrophobicContact CZ3-CB 3.99Å; W39-N53 WeakPolarHBondContact O-CB 3.43Å; W39-N53 PolarHBondContact O-ND2 3.41Å; I40-N53 PolarHBondContact O-N 3.26Å; N53-K55 PolarHBondContact O-N 2.87Å; N53-K55 PolarHBondContact OD1-N 3.18Å; N53-K55 VanDerWaalsContact OD1-N 3.14Å; N53-F56 HydrophobicContact CB-CD2 4.02Å; N53-F56 PolarHBondContact O-N 3.34Å; N53-K57 PolarHBondContact O-N 3.06Å
54	E	96.3	Very high	96.8	Very high	132 Å²	132	57.7 Å²	57.7	62%	0.617	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-30.9	-176.9	-69.8	-61.2	148.6	0	0	112.8	F56 K57	E54-F56 PolarHBondContact O-N 2.91Å; E54-K57 IonicContact OE1-NZ 2.82Å; E54-K57 PolarHBondContact OE1-NZ 2.89Å; E54-K57 VanDerWaalsContact OE2-CD 3.27Å; E54-K57 WeakPolarHBondContact OE2-CD 3.21Å; E54-K57 IonicContact OE2-NZ 3.41Å; E54-K57 PolarHBondContact OE2-NZ 2.91Å
55	K	93.9	Very high	96.8	Very high	145 Å²	145	59.3 Å²	59.3	63%	0.63	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.2	174.9	-70.3	-178.3	176.2	-179.3	0	114.1	E38 N53	E38-K55 IonicContact OE1-NZ 2.68Å; E38-K55 PolarHBondContact OE1-NZ 2.9Å; N53-K55 PolarHBondContact O-N 2.87Å; N53-K55 PolarHBondContact OD1-N 3.18Å; N53-K55 VanDerWaalsContact OD1-N 3.14Å
56	F	95.6	Very high	96.7	Very high	11 Å²	11	64.7 Å²	64.7	5%	0.048	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-8.1	-172	-60.9	-81.4	0	0	0	113.3	K30 E38 I40 N53 E54 S58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.91Å; K30-F56 HydrophobicContact CD-CZ 4.07Å; E38-F56 HydrophobicContact CB-CE2 4.33Å; E38-F56 HydrophobicContact CB-CZ 4.22Å; I40-F56 HydrophobicContact CB-CD2 4.29Å; I40-F56 HydrophobicContact CB-CG 4.29Å; I40-F56 HydrophobicContact CG1-CD1 4.1Å; I40-F56 HydrophobicContact CG1-CD2 4.07Å; I40-F56 HydrophobicContact CG1-CE1 4.15Å; I40-F56 HydrophobicContact CG1-CE2 4.12Å; I40-F56 HydrophobicContact CG1-CG 4.05Å; I40-F56 HydrophobicContact CG1-CZ 4.16Å; I40-F56 HydrophobicContact CG2-CB 3.79Å; I40-F56 HydrophobicContact CG2-CD1 4.47Å; I40-F56 HydrophobicContact CG2-CD2 4.45Å; I40-F56 HydrophobicContact CG2-CG 4.01Å; N53-F56 HydrophobicContact CB-CD2 4.02Å; N53-F56 PolarHBondContact O-N 3.34Å; E54-F56 PolarHBondContact O-N 2.91Å; F56-S58 PolarHBondContact O-N 3.13Å; F56-S58 VanDerWaalsContact O-N 3.13Å; F56-K59 PolarHBondContact O-N 3.23Å; F56-A60 HydrophobicContact CB-CB 4.37Å; F56-A60 PolarHBondContact O-N 2.79Å
57	K	94.5	Very high	96.6	Very high	112 Å²	112	67.4 Å²	67.4	49%	0.487	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.8	-174.1	-167	176.9	-169.6	173.2	0	114.3	Y52 N53 E54	Y52-K57 HydrophobicContact CG-CG 4.41Å; N53-K57 PolarHBondContact O-N 3.06Å; E54-K57 IonicContact OE1-NZ 2.82Å; E54-K57 PolarHBondContact OE1-NZ 2.89Å; E54-K57 VanDerWaalsContact OE2-CD 3.27Å; E54-K57 WeakPolarHBondContact OE2-CD 3.21Å; E54-K57 IonicContact OE2-NZ 3.41Å; E54-K57 PolarHBondContact OE2-NZ 2.91Å
58	S	94.6	Very high	96.6	Very high	111 Å²	111	63.7 Å²	63.7	78%	0.776	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-16.9	176.5	59.3	0	0	0	0	114.1	F56	F56-S58 PolarHBondContact O-N 3.13Å; F56-S58 VanDerWaalsContact O-N 3.13Å
59	K	95.3	Very high	96.7	Very high	46 Å²	46	64 Å²	64	20%	0.2	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-36.7	-176.1	-87.5	-168.2	169.8	-173.6	0	113.4	F56 L75 S76 T79 D82	F56-K59 PolarHBondContact O-N 3.23Å; K59-L75 WeakPolarHBondContact O-CA 3.3Å; K59-S76 PolarHBondContact O-N 3.41Å; K59-S76 PolarHBondContact O-OG 2.82Å; K59-T79 PolarHBondContact NZ-OG1 3.08Å; K59-D82 IonicContact NZ-OD1 2.79Å; K59-D82 PolarHBondContact NZ-OD1 2.83Å; K59-D82 IonicContact NZ-OD2 3.25Å; K59-D82 PolarHBondContact NZ-OD2 3.4Å
60	A	97.6	Very high	96.7	Very high	3 Å²	3	63 Å²	63	3%	0.025	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	138.2	-172.3	0	0	0	0	0	111.5	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.83Å; Y52-A60 HydrophobicContact CD1-CB 4.47Å; Y52-A60 HydrophobicContact CE1-CB 4.21Å; Y52-A60 WeakPolarHBondContact CE1-O 3.48Å; F56-A60 HydrophobicContact CB-CB 4.37Å; F56-A60 PolarHBondContact O-N 2.79Å; A60-M73 HydrophobicContact CB-CG 4.47Å; A60-M73 HydrophobicContact CB-SD 4.41Å; A60-Q74 CarbonylContact C-O 3.55Å; A60-Q74 WeakPolarHBondContact CA-O 3.35Å; A60-L75 HydrophobicContact CB-CD2 3.93Å
61	T	98.3	Very high	96.7	Very high	68 Å²	68	60.5 Å²	60.5	42%	0.417	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	120	169.4	-58.9	0	0	0	0	108.8	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.43Å; T61-M73 WeakPolarHBondContact O-CA 3.39Å; T61-Q74 PolarHBondContact N-O 3.23Å; T61-Q74 PolarHBondContact O-N 2.89Å
62	L	98.4	Very high	96.7	Very high	9 Å²	9	59 Å²	59	5%	0.047	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	134	179.7	-52.2	-177	0	0	0	110.5	W28 E42 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.1Å; E42-L62 WeakPolarHBondContact O-CD1 3.15Å; I43-L62 HydrophobicContact CB-CB 4.05Å; I43-L62 HydrophobicContact CB-CD1 4.29Å; I43-L62 HydrophobicContact CD1-CB 4.02Å; I43-L62 HydrophobicContact CG2-CB 4.37Å; T50-L62 HydrophobicContact CG2-CB 4.01Å; Y52-L62 HydrophobicContact CE1-CD1 3.98Å; Y52-L62 HydrophobicContact CE1-CG 3.67Å; Y52-L62 PolarHBondContact OH-N 3.02Å; L62-Y72 WeakPolarHBondContact CA-O 3.45Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.09Å
63	T	98.3	Very high	96.7	Very high	60 Å²	60	56.6 Å²	56.6	37%	0.368	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	161.6	176.5	55.2	0	0	0	0	110.7	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.43Å; T63-Y72 PolarHBondContact N-O 2.87Å; T63-Y72 PolarHBondContact O-N 3.12Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.17Å
64	V	97.8	Very high	96.7	Very high	37 Å²	37	58.3 Å²	58.3	22%	0.224	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.1	177.7	-70.3	0	0	0	0	110.9	F21 I43 P45 A71	F21-V64 HydrophobicContact CE1-CB 4.46Å; F21-V64 HydrophobicContact CZ-CG1 4.15Å; I43-V64 HydrophobicContact CB-CG1 4.48Å; I43-V64 HydrophobicContact CD1-CB 4.48Å; I43-V64 HydrophobicContact CD1-CG1 3.75Å; I43-V64 HydrophobicContact CD1-CG2 4.28Å; I43-V64 HydrophobicContact CG1-CG1 3.86Å; I43-V64 HydrophobicContact CG2-CG1 3.8Å; P45-V64 HydrophobicContact CB-CG1 4.12Å; P45-V64 HydrophobicContact CG-CG1 4.37Å; V64-A71 HydrophobicContact CG1-CB 4.21Å
65	D	97	Very high	96.8	Very high	52 Å²	52	52.1 Å²	52.1	28%	0.278	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	107.1	163.6	174.9	9.7	0	0	0	108.5	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.94Å; D65-S67 WeakPolarHBondContact OD1-CB 3.34Å; D65-S67 PolarHBondContact OD1-N 2.81Å; D65-S67 PolarHBondContact OD1-OG 2.86Å; D65-S67 PolarHBondContact OD2-OG 2.85Å; D65-S68 PolarHBondContact OD1-N 2.92Å; D65-S68 VanDerWaalsContact OD2-CB 3.29Å; D65-S68 WeakPolarHBondContact OD2-CB 3.33Å; D65-S68 PolarHBondContact OD2-OG 2.93Å; D65-S69 PolarHBondContact O-N 2.86Å; D65-S69 VanDerWaalsContact O-N 3.13Å; D65-T70 PolarHBondContact N-O 2.93Å; D65-T70 PolarHBondContact O-N 2.83Å; D65-Y72 HydrophobicContact CB-CE2 3.94Å
66	K	95.3	Very high	96.8	Very high	112 Å²	112	46.6 Å²	46.6	49%	0.487	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-29.4	-178.9	-56	-175.6	-160.9	-179.3	0	111.9	T22 P45 S46 S69	T22-K66 HydrophobicContact CG2-CD 4.46Å; P45-K66 WeakPolarHBondContact O-CD 3.47Å; P45-K66 WeakPolarHBondContact O-CE 3.3Å; S46-K66 PolarHBondContact O-NZ 3.08Å; K66-S69 PolarHBondContact O-N 3.02Å
67	S	94.9	Very high	96.8	Very high	109 Å²	109	49.8 Å²	49.8	76%	0.762	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-39.4	-176.6	73	0	0	0	0	111.6	D65	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.94Å; D65-S67 WeakPolarHBondContact OD1-CB 3.34Å; D65-S67 PolarHBondContact OD1-N 2.81Å; D65-S67 PolarHBondContact OD1-OG 2.86Å; D65-S67 PolarHBondContact OD2-OG 2.85Å
68	S	96.6	Very high	96.8	Very high	35 Å²	35	45.1 Å²	45.1	25%	0.245	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-1.9	177.3	67	0	0	0	0	113.9	D65 T70	D65-S68 PolarHBondContact OD1-N 2.92Å; D65-S68 VanDerWaalsContact OD2-CB 3.29Å; D65-S68 WeakPolarHBondContact OD2-CB 3.33Å; D65-S68 PolarHBondContact OD2-OG 2.93Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 3.28Å; S68-T70 PolarHBondContact O-OG1 2.81Å; S68-T70 WeakPolarHBondContact OG-CB 3.26Å; S68-T70 PolarHBondContact OG-OG1 3.05Å
69	S	96.8	Very high	96.7	Very high	40 Å²	40	42.8 Å²	42.8	28%	0.28	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	42.9	-171.6	-61.6	0	0	0	0	112.7	A16 D65 K66	A16-S69 PolarHBondContact N-O 2.84Å; D65-S69 PolarHBondContact O-N 2.86Å; D65-S69 VanDerWaalsContact O-N 3.13Å; K66-S69 PolarHBondContact O-N 3.02Å
70	T	98	Very high	96.5	Very high	9 Å²	9	45.7 Å²	45.7	6%	0.055	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.1	-175.1	-48.8	0	0	0	0	110.7	C14 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.13Å; D65-T70 PolarHBondContact N-O 2.93Å; D65-T70 PolarHBondContact O-N 2.83Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 3.28Å; S68-T70 PolarHBondContact O-OG1 2.81Å; S68-T70 WeakPolarHBondContact OG-CB 3.26Å; S68-T70 PolarHBondContact OG-OG1 3.05Å; T70-Y72 HydrophobicContact CG2-CD1 4.3Å; T70-Y72 HydrophobicContact CG2-CD2 4.38Å; T70-Y72 HydrophobicContact CG2-CE1 3.7Å; T70-Y72 HydrophobicContact CG2-CE2 3.78Å
71	A	98.1	Very high	96.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	148.7	165.8	0	0	0	0	0	109.8	S13 C14 F21 M26 W28 I43 V64	S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.47Å; C14-A71 PolarHBondContact N-O 2.75Å; C14-A71 PolarHBondContact O-N 3.19Å; F21-A71 HydrophobicContact CE2-CB 4.42Å; F21-A71 HydrophobicContact CZ-CB 4.1Å; M26-A71 HydrophobicContact CB-CB 4.12Å; M26-A71 HydrophobicContact CG-CB 3.65Å; W28-A71 HydrophobicContact CZ2-CB 4.26Å; I43-A71 HydrophobicContact CG2-CB 4.49Å; V64-A71 HydrophobicContact CG1-CB 4.21Å
72	Y	98.3	Very high	95.9	Very high	52 Å²	52	48.9 Å²	48.9	20%	0.204	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.3	177.2	-56.8	-88.3	0	0	0	110.9	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.36Å; K11-Y72 VanDerWaalsContact CE-CD1 3.44Å; K11-Y72 VanDerWaalsContact CE-CG 3.46Å; K11-Y72 HydrophobicContact CG-CD1 4.32Å; L12-Y72 WeakPolarHBondContact O-CA 3.37Å; L12-Y72 WeakPolarHBondContact O-CB 3.39Å; S13-Y72 VanDerWaalsContact CB-CD1 3.45Å; L62-Y72 WeakPolarHBondContact CA-O 3.45Å; T63-Y72 PolarHBondContact N-O 2.87Å; T63-Y72 PolarHBondContact O-N 3.12Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.17Å; D65-Y72 HydrophobicContact CB-CE2 3.94Å; T70-Y72 HydrophobicContact CG2-CD1 4.3Å; T70-Y72 HydrophobicContact CG2-CD2 4.38Å; T70-Y72 HydrophobicContact CG2-CE1 3.7Å; T70-Y72 HydrophobicContact CG2-CE2 3.78Å
73	M	98.2	Very high	95.6	Very high	0 Å²	0	53 Å²	53	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.6	167.1	177.2	174.4	69.3	0	0	108.7	L12 W28 I40 A60 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.7Å; L12-M73 PolarHBondContact N-O 2.75Å; L12-M73 PolarHBondContact O-N 2.91Å; W28-M73 HydrophobicContact CB-SD 3.87Å; W28-M73 HydrophobicContact CD2-CB 3.64Å; W28-M73 HydrophobicContact CD2-CE 4.23Å; W28-M73 HydrophobicContact CD2-CG 4.45Å; W28-M73 HydrophobicContact CD2-SD 4.08Å; W28-M73 HydrophobicContact CE3-CB 3.86Å; W28-M73 HydrophobicContact CE3-CE 3.71Å; W28-M73 HydrophobicContact CE3-SD 4.18Å; W28-M73 HydrophobicContact CG-CB 4.19Å; W28-M73 HydrophobicContact CG-SD 3.97Å; W28-M73 HydrophobicContact CH2-CB 4.03Å; W28-M73 HydrophobicContact CZ2-CB 3.85Å; W28-M73 HydrophobicContact CZ3-CB 4.05Å; W28-M73 HydrophobicContact CZ3-CE 4.29Å; I40-M73 HydrophobicContact CD1-CE 3.91Å; I40-M73 HydrophobicContact CD1-SD 3.85Å; I40-M73 HydrophobicContact CG2-SD 3.83Å; A60-M73 HydrophobicContact CB-CG 4.47Å; A60-M73 HydrophobicContact CB-SD 4.41Å; T61-M73 WeakPolarHBondContact O-CA 3.39Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.09Å; M73-L75 HydrophobicContact CE-CD1 3.9Å; M73-L75 HydrophobicContact CE-CD2 4.31Å; M73-L75 HydrophobicContact CE-CG 4.05Å; M73-L75 HydrophobicContact CG-CD2 4.41Å; M73-L75 HydrophobicContact CG-CG 4.3Å; M73-L75 HydrophobicContact SD-CD2 4.13Å; M73-L75 HydrophobicContact SD-CG 4.36Å; M73-Y86 HydrophobicContact CE-CD1 3.65Å; M73-Y86 HydrophobicContact CE-CE1 4.14Å; M73-Y86 HydrophobicContact CE-CG 4.35Å
74	Q	97.9	Very high	95.5	Very high	81 Å²	81	51.4 Å²	51.4	38%	0.379	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.7	169.1	-178	171.5	-23.5	0	0	109.1	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.45Å; A60-Q74 CarbonylContact C-O 3.55Å; A60-Q74 WeakPolarHBondContact CA-O 3.35Å; T61-Q74 PolarHBondContact N-O 3.23Å; T61-Q74 PolarHBondContact O-N 2.89Å
75	L	96.7	Very high	95.4	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.016	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	132.7	171.6	-67.2	168.8	0	0	0	108.9	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.46Å; S9-L75 WeakPolarHBondContact CA-O 3.41Å; S9-L75 WeakPolarHBondContact CB-O 3.42Å; V10-L75 HydrophobicContact CG1-CB 4.03Å; V10-L75 HydrophobicContact CG1-CD1 4.36Å; V10-L75 PolarHBondContact N-O 3.43Å; V10-L75 PolarHBondContact O-N 2.99Å; K59-L75 WeakPolarHBondContact O-CA 3.3Å; A60-L75 HydrophobicContact CB-CD2 3.93Å; M73-L75 HydrophobicContact CE-CD1 3.9Å; M73-L75 HydrophobicContact CE-CD2 4.31Å; M73-L75 HydrophobicContact CE-CG 4.05Å; M73-L75 HydrophobicContact CG-CD2 4.41Å; M73-L75 HydrophobicContact CG-CG 4.3Å; M73-L75 HydrophobicContact SD-CD2 4.13Å; M73-L75 HydrophobicContact SD-CG 4.36Å; L75-L78 HydrophobicContact CB-CD2 3.68Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; L75-Y86 HydrophobicContact CD1-CD1 4.28Å; L75-Y86 HydrophobicContact CD1-CE1 3.57Å; L75-Y86 HydrophobicContact CD1-CE2 4.28Å
76	S	95.6	Very high	95.4	Very high	29 Å²	29	53.1 Å²	53.1	20%	0.203	31%	0.312	C	S	.	.			trans	-110.9	151.9	-174.6	-39	0	0	0	0	111.1	K59 L78	K59-S76 PolarHBondContact O-N 3.41Å; K59-S76 PolarHBondContact O-OG 2.82Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 2.85Å
77	S	94.5	Very high	95.5	Very high	78 Å²	78	52.6 Å²	52.6	55%	0.545	31%	0.308	S	S	.	.	S	Bend	trans	52.8	51.3	171.4	-55.7	0	0	0	0	112.7	A8	A8-S77 PolarHBondContact O-N 3.14Å
78	L	94.3	Very high	95.6	Very high	14 Å²	14	49.8 Å²	49.8	7%	0.073	29%	0.288	C	S	.	.			trans	-61.9	136.6	-172.3	-67.8	170.1	0	0	0	112.3	V4 G7 A8 V10 L75 S76 D82	V4-L78 HydrophobicContact CB-CD1 4.33Å; V4-L78 HydrophobicContact CG2-CD1 3.44Å; V4-L78 VanDerWaalsContact CG2-CD1 3.44Å; G7-L78 PolarHBondContact N-O 3.27Å; A8-L78 WeakPolarHBondContact O-CB 3.37Å; A8-L78 VanDerWaalsContact O-CG 3.27Å; A8-L78 WeakPolarHBondContact O-CG 3.48Å; A8-L78 PolarHBondContact O-N 2.81Å; V10-L78 HydrophobicContact CB-CD1 3.97Å; V10-L78 HydrophobicContact CG1-CD1 3.72Å; V10-L78 HydrophobicContact CG1-CD2 4.39Å; L75-L78 HydrophobicContact CB-CD2 3.68Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 2.85Å; L78-D82 WeakPolarHBondContact CA-OD2 3.33Å; L78-D82 HydrophobicContact CD2-CB 3.69Å
79	T	93.3	Very high	95.5	Very high	62 Å²	62	51.6 Å²	51.6	38%	0.38	30%	0.298	S	S	.	.			trans	-115.7	173.3	173	65.4	0	0	0	0	110.8	K59 E81 D82	K59-T79 PolarHBondContact NZ-OG1 3.08Å; T79-E81 PolarHBondContact O-N 2.93Å; T79-D82 PolarHBondContact N-OD2 2.98Å; T79-D82 WeakPolarHBondContact O-CB 3.5Å; T79-D82 PolarHBondContact O-N 2.81Å; T79-D82 PolarHBondContact OG1-OD2 3.49Å
80	S	91	Very high	95.3	Very high	107 Å²	107	51.6 Å²	51.6	75%	0.748	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-56.5	-31	174.4	51.4	0	0	0	0	112.5	D82 S83	S80-D82 PolarHBondContact O-N 2.8Å; S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 2.95Å; S80-S83 PolarHBondContact O-N 2.81Å; S80-S83 VanDerWaalsContact O-N 3.13Å
81	E	89.7	Confident	94.4	Very high	125 Å²	125	58.1 Å²	58.1	58%	0.584	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-66.2	-15.9	175.3	-62.7	-177.2	178.8	0	0	113.5	K30 R32 T79 S83	K30-E81 WeakPolarHBondContact CE-O 3.42Å; K30-E81 PolarHBondContact NZ-O 2.93Å; R32-E81 VanDerWaalsContact CZ-O 3.25Å; R32-E81 PolarHBondContact NE-O 2.6Å; R32-E81 PolarHBondContact NH2-O 3.18Å; T79-E81 PolarHBondContact O-N 2.93Å; E81-S83 VanDerWaalsContact C-N 3.33Å
82	D	92.9	Very high	94.2	Very high	13 Å²	13	61 Å²	61	7%	0.07	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-88.2	-3.4	176	-59.7	-43.9	0	0	0	113	K30 K59 L78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.66Å; K30-D82 PolarHBondContact NZ-OD1 3.44Å; K59-D82 IonicContact NZ-OD1 2.79Å; K59-D82 PolarHBondContact NZ-OD1 2.83Å; K59-D82 IonicContact NZ-OD2 3.25Å; K59-D82 PolarHBondContact NZ-OD2 3.4Å; L78-D82 WeakPolarHBondContact CA-OD2 3.33Å; L78-D82 HydrophobicContact CD2-CB 3.69Å; T79-D82 PolarHBondContact N-OD2 2.98Å; T79-D82 WeakPolarHBondContact O-CB 3.5Å; T79-D82 PolarHBondContact O-N 2.81Å; T79-D82 PolarHBondContact OG1-OD2 3.49Å; S80-D82 PolarHBondContact O-N 2.8Å; D82-A84 PolarHBondContact O-N 2.93Å; D82-A84 VanDerWaalsContact O-N 3.13Å; D82-Y86 WeakPolarHBondContact O-CE2 3.31Å; D82-Y86 PolarHBondContact O-OH 3.4Å
83	S	93.6	Very high	94	Very high	96 Å²	96	61.5 Å²	61.5	67%	0.671	35%	0.354	S	S	*	.			trans	-68.9	109.1	170.6	-164.3	0	0	0	0	110	S80 E81	S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 2.95Å; S80-S83 PolarHBondContact O-N 2.81Å; S80-S83 VanDerWaalsContact O-N 3.13Å; E81-S83 VanDerWaalsContact C-N 3.33Å
84	A	95.1	Very high	93.8	Very high	26 Å²	26	64.9 Å²	64.9	22%	0.215	37%	0.374	C	S	.	.	S	Bend	trans	-163.5	167.8	-172.7	0	0	0	0	0	110.2	K30 Q31 R32 D82 Y86	K30-A84 HydrophobicContact CD-CB 4.2Å; K30-A84 HydrophobicContact CG-CB 3.5Å; Q31-A84 WeakPolarHBondContact O-CA 3.32Å; Q31-A84 WeakPolarHBondContact O-CB 3.15Å; R32-A84 HydrophobicContact CG-CB 4.1Å; D82-A84 PolarHBondContact O-N 2.93Å; D82-A84 VanDerWaalsContact O-N 3.13Å; A84-Y86 HydrophobicContact CB-CD2 4.48Å; A84-Y86 HydrophobicContact CB-CE2 3.93Å
85	V	96.2	Very high	93.5	Very high	74 Å²	74	63.9 Å²	63.9	45%	0.448	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	134.9	161	-171.9	0	0	0	0	108.2	Q31 Y87	Q31-V85 PolarHBondContact N-O 3.49Å; Q31-V85 PolarHBondContact O-N 3.49Å; V85-Y87 HydrophobicContact CB-CE2 3.89Å; V85-Y87 HydrophobicContact CG1-CD2 4.3Å; V85-Y87 HydrophobicContact CG1-CE1 3.91Å; V85-Y87 HydrophobicContact CG1-CE2 3.58Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.37Å
86	Y	97.1	Very high	93.3	Very high	50 Å²	50	67.8 Å²	67.8	20%	0.196	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.5	177.9	-67.8	-90.3	0	0	0	109.4	L12 V29 K30 I40 M73 L75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.27Å; L12-Y86 HydrophobicContact CD1-CD2 4.04Å; L12-Y86 HydrophobicContact CD1-CG 3.71Å; V29-Y86 CarbonylContact O-C 3.51Å; V29-Y86 WeakPolarHBondContact O-CA 3.43Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.91Å; K30-Y86 HydrophobicContact CD-CE1 3.98Å; K30-Y86 HydrophobicContact CG-CD1 4.3Å; K30-Y86 HydrophobicContact CG-CE1 3.75Å; I40-Y86 HydrophobicContact CD1-CD1 3.79Å; I40-Y86 HydrophobicContact CD1-CE1 3.85Å; M73-Y86 HydrophobicContact CE-CD1 3.65Å; M73-Y86 HydrophobicContact CE-CE1 4.14Å; M73-Y86 HydrophobicContact CE-CG 4.35Å; L75-Y86 HydrophobicContact CD1-CD1 4.28Å; L75-Y86 HydrophobicContact CD1-CE1 3.57Å; L75-Y86 HydrophobicContact CD1-CE2 4.28Å; D82-Y86 WeakPolarHBondContact O-CE2 3.31Å; D82-Y86 PolarHBondContact O-OH 3.4Å; A84-Y86 HydrophobicContact CB-CD2 4.48Å; A84-Y86 HydrophobicContact CB-CE2 3.93Å
87	Y	97.1	Very high	93.2	Very high	102 Å²	102	70.3 Å²	70.3	40%	0.4	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	145.1	180	-59.6	-83.5	0	0	0	109.7	W28 V29 Q31 V85	W28-Y87 WeakPolarHBondContact CA-O 3.31Å; V29-Y87 PolarHBondContact N-O 2.63Å; V29-Y87 PolarHBondContact O-N 3.13Å; Q31-Y87 HydrophobicContact CB-CD2 4.35Å; Q31-Y87 HydrophobicContact CB-CE2 3.75Å; Q31-Y87 PolarHBondContact OE1-OH 3.49Å; Q31-Y87 VanDerWaalsContact OE1-OH 3.14Å; V85-Y87 HydrophobicContact CB-CE2 3.89Å; V85-Y87 HydrophobicContact CG1-CD2 4.3Å; V85-Y87 HydrophobicContact CG1-CE1 3.91Å; V85-Y87 HydrophobicContact CG1-CE2 3.58Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.37Å
88	C	96.6	Very high	93.1	Very high	50 Å²	50	69.8 Å²	69.8	34%	0.338	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142.6	162	62.4	0	0	0	0	109	C14 M26 H27 W28	C14-C88 HydrophobicContact CB-CB 3.47Å; C14-C88 VanDerWaalsContact CB-CB 3.47Å; C14-C88 WeakPolarHBondContact CB-SG 3.39Å; C14-C88 WeakPolarHBondContact SG-CB 3.46Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.33Å; M26-C88 HydrophobicContact SD-CB 3.8Å; H27-C88 VanDerWaalsContact O-CA 3.25Å; H27-C88 WeakPolarHBondContact O-CA 3.29Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.22Å; W28-C88 HydrophobicContact CH2-CB 4.37Å; W28-C88 HydrophobicContact CZ3-CB 4.19Å
89	T	95.8	Very high	93	Very high	73 Å²	73	74.1 Å²	74.1	45%	0.448	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	152.6	177.1	-172.3	0	0	0	0	109.9	M26 H27	M26-T89 VanDerWaalsContact SD-O 3.41Å; H27-T89 HydrophobicContact CB-CG2 3.85Å; H27-T89 PolarHBondContact N-O 2.92Å; H27-T89 PolarHBondContact O-N 2.64Å
90	T	92.4	Very high	92.9	Very high	39 Å²	39	75.1 Å²	75.1	24%	0.239	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	164.5	163.9	60	0	0	0	0	110.4	Y19 W25 M26	Y19-T90 HydrophobicContact CE2-CG2 3.88Å; Y19-T90 WeakPolarHBondContact OH-CG2 2.96Å; W25-T90 WeakPolarHBondContact O-CA 3.11Å; M26-T90 HydrophobicContact CE-CG2 3.72Å; M26-T90 HydrophobicContact SD-CG2 4.2Å
91	N	77.9	Confident	93.1	Very high	146 Å²	146	72.2 Å²	72.2	78%	0.781	40%	0.399	S	S	*	.			trans	-66.4	0	159.4	-65.4	-31.7	0	0	0	111.6	Y24 H27	Y24-N91 WeakPolarHBondContact CD1-O 3.48Å; H27-N91 PolarHBondContact NE2-ND2 2.69Å; H27-N91 PolarHBondContact NE2-OD1 3.46Å; H27-N91 VanDerWaalsContact NE2-OD1 3.08Å

Retrieved 91 of 91 residues in 19.8 ms (Link to these results)

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