X5J4K4_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4K4, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 91 aa.

						>X5J4K4_MOUSE|X5J4K4
AELVKPGASVKLSCRTSGYAFINYWIHWVRQRPGRGLEWIGWIDPNGSATKYNEKFKNKATLTADKPSSTAYMQLSSLTSEDSAVYYCARG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	A	64	Low	85.8	Confident	156 Å²	156	99.2 Å²	99.2	100%	1.289	60%	0.596	S	S	*	*				0	133.9	0	0	0	0	0	0	107.4
2	E	73.4	Confident	86.7	Confident	119 Å²	119	94 Å²	94	56%	0.556	56%	0.562	S	S	*	*			trans	-105.2	121.4	-178.8	-167.4	169.6	172.9	0	0	109.1	V4 V10	E2-V4 HydrophobicContact CG-CG1 4.25Å; E2-V10 HydrophobicContact CG-CG2 4.33Å; E2-V10 VanDerWaalsContact OE1-CG2 3.29Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.37Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.44Å
3	L	80.1	Confident	87.5	Confident	176 Å²	176	93.3 Å²	93.3	92%	0.921	57%	0.565	S	S	*	*			trans	-101.1	114.2	176.6	-72.4	167.2	0	0	0	107.9
4	V	85.2	Confident	88.2	Confident	61 Å²	61	87.4 Å²	87.4	37%	0.37	53%	0.53	S	S	.	.			trans	-120.9	144.3	-175.2	-91.3	0	0	0	0	109.9	E2 A8 V10 L78	E2-V4 HydrophobicContact CG-CG1 4.25Å; V4-A8 HydrophobicContact CB-CB 4.48Å; V4-V10 HydrophobicContact CG1-CB 4.47Å; V4-L78 HydrophobicContact CB-CD1 4.07Å; V4-L78 HydrophobicContact CG2-CD1 3.42Å; V4-L78 VanDerWaalsContact CG2-CD1 3.42Å
5	K	85.4	Confident	88.8	Confident	175 Å²	175	95.1 Å²	95.1	76%	0.761	55%	0.545	S	S	*	.			trans	-67.6	146.5	177.4	-65.1	-179.2	-178.5	179.1	0	109.8	G7 A8	K5-G7 PolarHBondContact O-N 3.25Å; K5-A8 WeakPolarHBondContact O-CB 3.45Å; K5-A8 PolarHBondContact O-N 3.24Å
6	P	87.5	Confident	89.1	Confident	120 Å²	120	90.1 Å²	90.1	78%	0.779	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	140.2	169.9	-25.1	34.4	0	0	0	111.4	A8	P6-A8 PolarHBondContact O-N 2.98Å
7	G	89.2	Confident	89.3	Confident	53 Å²	53	91.1 Å²	91.1	55%	0.546	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	-11.9	-176.5	0	0	0	0	0	115	K5 L78	K5-G7 PolarHBondContact O-N 3.25Å; G7-L78 PolarHBondContact N-O 3.11Å
8	A	92.9	Very high	89.6	Confident	35 Å²	35	90.9 Å²	90.9	29%	0.289	55%	0.551	S	S	.	*			trans	-69	168.4	174	0	0	0	0	0	111.6	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.48Å; K5-A8 WeakPolarHBondContact O-CB 3.45Å; K5-A8 PolarHBondContact O-N 3.24Å; P6-A8 PolarHBondContact O-N 2.98Å; A8-S77 PolarHBondContact O-N 2.94Å; A8-L78 WeakPolarHBondContact O-CB 3.42Å; A8-L78 WeakPolarHBondContact O-CG 3.42Å; A8-L78 PolarHBondContact O-N 2.89Å
9	S	94.5	Very high	89.7	Confident	64 Å²	64	89.2 Å²	89.2	45%	0.448	54%	0.535	S	S	.	.			trans	-112.7	147.6	170.2	-55.1	0	0	0	0	109.7	L75 S76	S9-L75 CarbonylContact C-O 3.41Å; S9-L75 WeakPolarHBondContact CA-O 3.1Å; S9-L75 WeakPolarHBondContact CB-O 3.35Å; S9-S76 WeakPolarHBondContact OG-CA 3.36Å
10	V	95.1	Very high	89.9	Confident	12 Å²	12	87.3 Å²	87.3	7%	0.073	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.6	176.1	66	0	0	0	0	110	E2 V4 L12 Q74 L75 L78	E2-V10 HydrophobicContact CG-CG2 4.33Å; E2-V10 VanDerWaalsContact OE1-CG2 3.29Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.37Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.44Å; V4-V10 HydrophobicContact CG1-CB 4.47Å; V10-L12 HydrophobicContact CG2-CD2 4.03Å; V10-Q74 CarbonylContact O-C 3.49Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.24Å; V10-L75 HydrophobicContact CG1-CB 3.93Å; V10-L75 HydrophobicContact CG1-CD1 4.25Å; V10-L75 PolarHBondContact N-O 3.15Å; V10-L75 PolarHBondContact O-N 3.31Å; V10-L78 HydrophobicContact CB-CD1 4.04Å; V10-L78 HydrophobicContact CG1-CD1 3.73Å; V10-L78 HydrophobicContact CG1-CD2 4.33Å
11	K	96.5	Very high	90.1	Very high	120 Å²	120	83.3 Å²	83.3	52%	0.522	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	108.4	174	-173.8	178.2	-180	-179.3	0	109.7	Y72	K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 VanDerWaalsContact CE-CD1 3.43Å; K11-Y72 VanDerWaalsContact CE-CG 3.49Å; K11-Y72 HydrophobicContact CG-CD1 4.36Å
12	L	96.8	Very high	91.5	Very high	37 Å²	37	79 Å²	79	19%	0.194	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	143.5	174.7	-56.1	179.6	0	0	0	109.9	V10 W28 Y72 M73 Y86	V10-L12 HydrophobicContact CG2-CD2 4.03Å; L12-W28 HydrophobicContact CB-CH2 4.08Å; L12-W28 HydrophobicContact CB-CZ3 3.98Å; L12-W28 HydrophobicContact CD1-CZ3 4.46Å; L12-Y72 CarbonylContact O-C 3.53Å; L12-Y72 WeakPolarHBondContact O-CA 3.46Å; L12-M73 HydrophobicContact CD1-CE 3.69Å; L12-M73 PolarHBondContact N-O 2.91Å; L12-M73 PolarHBondContact O-N 2.83Å; L12-Y86 HydrophobicContact CD1-CD1 4.25Å; L12-Y86 HydrophobicContact CD1-CD2 3.98Å; L12-Y86 HydrophobicContact CD1-CG 3.67Å
13	S	97.4	Very high	92.5	Very high	85 Å²	85	78.8 Å²	78.8	59%	0.594	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	145.1	175.5	63.1	0	0	0	0	111.1	A71	S13-A71 CarbonylContact C-O 3.53Å
14	C	96.9	Very high	93.2	Very high	11 Å²	11	74.2 Å²	74.2	7%	0.074	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	96.7	176	175.2	0	0	0	0	108.6	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.76Å; C14-W28 HydrophobicContact CB-CZ2 3.88Å; C14-T70 CarbonylContact O-C 3.57Å; C14-T70 WeakPolarHBondContact O-CA 3.39Å; C14-A71 HydrophobicContact CB-CB 4.41Å; C14-A71 PolarHBondContact N-O 3.48Å; C14-A71 PolarHBondContact O-N 3.15Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 2.75Å; C14-C88 WeakPolarHBondContact SG-CB 3.35Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.06Å
15	R	96.8	Very high	93.8	Very high	202 Å²	202	77.3 Å²	77.3	76%	0.762	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	130.6	176.3	-171.6	173.5	-172.6	178.6	0.3	109.6	T70	R15-T70 HydrophobicContact CB-CG2 4.42Å
16	T	93.6	Very high	94.3	Very high	16 Å²	16	69 Å²	69	10%	0.098	40%	0.402	C	S	.	.			trans	-110.2	155.8	-177.4	67.5	0	0	0	0	110.4	Y19 F21 I26 S69	T16-Y19 WeakPolarHBondContact CB-OH 3.41Å; T16-Y19 WeakPolarHBondContact CG2-OH 3.39Å; T16-F21 HydrophobicContact CG2-CD2 4.02Å; T16-F21 HydrophobicContact CG2-CE2 4.09Å; T16-F21 WeakPolarHBondContact OG1-CD2 3.38Å; T16-I26 HydrophobicContact CG2-CD1 4.38Å; T16-S69 PolarHBondContact N-O 2.93Å; T16-S69 PolarHBondContact OG1-O 3.49Å
17	S	93.6	Very high	94.8	Very high	106 Å²	106	65.4 Å²	65.4	74%	0.741	37%	0.374	S	S	*	.			trans	-153.9	161.1	178.4	63.2	0	0	0	0	110.6	Y19	S17-Y19 VanDerWaalsContact O-CD1 3.27Å; S17-Y19 WeakPolarHBondContact O-CD1 3.45Å
18	G	93.6	Very high	95.3	Very high	88 Å²	88	63.1 Å²	63.1	91%	0.907	35%	0.349	S	S	*	.	S	Bend	trans	82.4	8.5	177.2	0	0	0	0	0	115.5
19	Y	91.2	Very high	95.5	Very high	59 Å²	59	62.5 Å²	62.5	23%	0.231	34%	0.342	C	S	.	.	S	Bend	trans	-158.8	166.7	174.2	61.5	-88.1	0	0	0	111.5	T16 S17 F21 Y24 R90	T16-Y19 WeakPolarHBondContact CB-OH 3.41Å; T16-Y19 WeakPolarHBondContact CG2-OH 3.39Å; S17-Y19 VanDerWaalsContact O-CD1 3.27Å; S17-Y19 WeakPolarHBondContact O-CD1 3.45Å; Y19-F21 PolarHBondContact O-N 3.23Å; Y19-F21 VanDerWaalsContact O-N 3.09Å; Y19-Y24 AromaticContact CD2-CD2 3.35Å; Y19-Y24 HydrophobicContact CD2-CD2 3.35Å; Y19-Y24 AromaticContact CD2-CE2 3.56Å; Y19-Y24 HydrophobicContact CD2-CE2 3.56Å; Y19-Y24 HydrophobicContact CD2-CG 4.31Å; Y19-Y24 AromaticContact CE2-CD2 3.67Å; Y19-Y24 HydrophobicContact CE2-CD2 3.67Å; Y19-Y24 HydrophobicContact CE2-CE2 4.3Å; Y19-Y24 HydrophobicContact CE2-CG 4.27Å; Y19-Y24 HydrophobicContact CG-CD2 4.34Å; Y19-Y24 HydrophobicContact CG-CE2 4.16Å; Y19-R90 VanDerWaalsContact CE2-CD 3.41Å; Y19-R90 HydrophobicContact CE2-CG 3.98Å
20	A	94	Very high	95.6	Very high	51 Å²	51	60.3 Å²	60.3	42%	0.421	32%	0.324	S	S	.	.			trans	-71.8	99.4	172.6	0	0	0	0	0	110.3	I22 N23 Y24	A20-I22 PolarHBondContact O-N 3.31Å; A20-I22 VanDerWaalsContact O-N 3.13Å; A20-N23 HydrophobicContact CB-CB 4.45Å; A20-N23 WeakPolarHBondContact CB-ND2 2.96Å; A20-N23 PolarHBondContact O-N 2.91Å; A20-Y24 WeakPolarHBondContact O-CD2 3.23Å
21	F	94.1	Very high	95.7	Very high	4 Å²	4	63 Å²	63	2%	0.018	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-48.5	-40.6	-176.7	174.2	-117.9	0	0	0	113.8	T16 Y19 N23 Y24 I26 P45 A64 A71	T16-F21 HydrophobicContact CG2-CD2 4.02Å; T16-F21 HydrophobicContact CG2-CE2 4.09Å; T16-F21 WeakPolarHBondContact OG1-CD2 3.38Å; Y19-F21 PolarHBondContact O-N 3.23Å; Y19-F21 VanDerWaalsContact O-N 3.09Å; F21-N23 PolarHBondContact O-N 3.17Å; F21-Y24 PolarHBondContact O-N 2.91Å; F21-I26 HydrophobicContact CD2-CD1 4.11Å; F21-I26 HydrophobicContact CD2-CG1 4.32Å; F21-I26 HydrophobicContact CE2-CD1 3.82Å; F21-I26 HydrophobicContact CE2-CG1 3.61Å; F21-I26 HydrophobicContact CZ-CG1 4.26Å; F21-P45 HydrophobicContact CD1-CB 3.78Å; F21-P45 HydrophobicContact CD1-CG 4.26Å; F21-P45 HydrophobicContact CD2-CG 4.37Å; F21-P45 HydrophobicContact CE1-CB 3.43Å; F21-P45 VanDerWaalsContact CE1-CB 3.43Å; F21-P45 HydrophobicContact CE1-CG 3.9Å; F21-P45 HydrophobicContact CE2-CB 4.48Å; F21-P45 HydrophobicContact CE2-CG 4.03Å; F21-P45 HydrophobicContact CG-CB 4.44Å; F21-P45 HydrophobicContact CZ-CB 3.82Å; F21-P45 HydrophobicContact CZ-CG 3.77Å; F21-A64 HydrophobicContact CE1-CB 4.16Å; F21-A64 HydrophobicContact CZ-CB 4.13Å; F21-A71 HydrophobicContact CE2-CB 4.34Å; F21-A71 HydrophobicContact CZ-CB 4.14Å
22	I	94.7	Very high	95.7	Very high	66 Å²	66	59.1 Å²	59.1	34%	0.338	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-64.4	-21.1	-178.8	61.2	168.9	0	0	0	114	A20 Y24 N46 K66	A20-I22 PolarHBondContact O-N 3.31Å; A20-I22 VanDerWaalsContact O-N 3.13Å; I22-Y24 VanDerWaalsContact C-N 3.27Å; I22-Y24 PolarHBondContact O-N 2.81Å; I22-N46 HydrophobicContact CB-CB 4.14Å; I22-N46 VanDerWaalsContact O-CB 3.26Å; I22-N46 WeakPolarHBondContact O-CB 3.26Å; I22-K66 HydrophobicContact CG2-CB 4.43Å; I22-K66 HydrophobicContact CG2-CD 4.47Å; I22-K66 HydrophobicContact CG2-CG 4.19Å
23	N	94.4	Very high	95.5	Very high	114 Å²	114	63 Å²	63	61%	0.61	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-84	-1	-175.2	-67.7	-10.8	0	0	0	113.6	A20 F21	A20-N23 HydrophobicContact CB-CB 4.45Å; A20-N23 WeakPolarHBondContact CB-ND2 2.96Å; A20-N23 PolarHBondContact O-N 2.91Å; F21-N23 PolarHBondContact O-N 3.17Å
24	Y	94.9	Very high	95.4	Very high	80 Å²	80	63.5 Å²	63.5	31%	0.314	36%	0.364	S	S	.	.	S	Bend	trans	-134.7	136.6	-171.9	-61	-87.9	0	0	0	111.7	Y19 A20 F21 I22 P45 R90 G91	Y19-Y24 AromaticContact CD2-CD2 3.35Å; Y19-Y24 HydrophobicContact CD2-CD2 3.35Å; Y19-Y24 AromaticContact CD2-CE2 3.56Å; Y19-Y24 HydrophobicContact CD2-CE2 3.56Å; Y19-Y24 HydrophobicContact CD2-CG 4.31Å; Y19-Y24 AromaticContact CE2-CD2 3.67Å; Y19-Y24 HydrophobicContact CE2-CD2 3.67Å; Y19-Y24 HydrophobicContact CE2-CE2 4.3Å; Y19-Y24 HydrophobicContact CE2-CG 4.27Å; Y19-Y24 HydrophobicContact CG-CD2 4.34Å; Y19-Y24 HydrophobicContact CG-CE2 4.16Å; A20-Y24 WeakPolarHBondContact O-CD2 3.23Å; F21-Y24 PolarHBondContact O-N 2.91Å; I22-Y24 VanDerWaalsContact C-N 3.27Å; I22-Y24 PolarHBondContact O-N 2.81Å; Y24-P45 WeakPolarHBondContact O-CD 3.09Å; Y24-P45 WeakPolarHBondContact O-CG 3.19Å; Y24-R90 VanDerWaalsContact CB-CG 3.46Å; Y24-R90 HydrophobicContact CD1-CG 3.72Å; Y24-R90 HydrophobicContact CD2-CG 4.29Å; Y24-R90 HydrophobicContact CG-CG 3.57Å; Y24-G91 VanDerWaalsContact CD1-O 3.26Å; Y24-G91 WeakPolarHBondContact CD1-O 3.24Å
25	W	96.2	Very high	95.2	Very high	126 Å²	126	69.8 Å²	69.8	48%	0.477	39%	0.386	S	S	.	.			trans	-66.8	141	167.3	-56.1	-23.5	0	0	0	110.2	W42 I43 G91	W25-W42 HydrophobicContact CB-CD2 4.5Å; W25-W42 HydrophobicContact CB-CE3 4.22Å; W25-W42 HydrophobicContact CD2-CD2 4.45Å; W25-W42 HydrophobicContact CD2-CE3 4.29Å; W25-W42 HydrophobicContact CD2-CZ3 4.39Å; W25-W42 HydrophobicContact CG-CD2 4.42Å; W25-W42 AromaticContact CG-CE3 3.98Å; W25-W42 HydrophobicContact CG-CE3 3.98Å; W25-W42 HydrophobicContact CG-CZ3 4.28Å; W25-I43 WeakPolarHBondContact CA-O 3.48Å; W25-G91 PolarHBondContact O-N 3.01Å
26	I	97.3	Very high	95.1	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.005	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	113.1	176.7	-51.6	-61.3	0	0	0	108.4	T16 F21 W42 I43 P45 A71 C88	T16-I26 HydrophobicContact CG2-CD1 4.38Å; F21-I26 HydrophobicContact CD2-CD1 4.11Å; F21-I26 HydrophobicContact CD2-CG1 4.32Å; F21-I26 HydrophobicContact CE2-CD1 3.82Å; F21-I26 HydrophobicContact CE2-CG1 3.61Å; F21-I26 HydrophobicContact CZ-CG1 4.26Å; I26-W42 WeakPolarHBondContact O-CA 3.35Å; I26-I43 HydrophobicContact CB-CG2 4.23Å; I26-I43 PolarHBondContact N-O 3.01Å; I26-I43 PolarHBondContact O-N 2.8Å; I26-P45 HydrophobicContact CG1-CG 3.88Å; I26-A71 HydrophobicContact CB-CB 4.1Å; I26-A71 HydrophobicContact CG1-CB 4.27Å; I26-A71 HydrophobicContact CG2-CB 3.72Å; I26-C88 HydrophobicContact CG2-CB 4.29Å
27	H	97.9	Very high	95.3	Very high	43 Å²	43	67.7 Å²	67.7	20%	0.199	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	142	178.9	-68.1	-106	0	0	0	110.4	W39 G41 W42 C88 A89	H27-W39 AromaticContact ND1-CD1 3.91Å; H27-W39 AromaticContact ND1-NE1 3.19Å; H27-W39 PolarHBondContact ND1-NE1 3.17Å; H27-W39 VanDerWaalsContact ND1-NE1 3.19Å; H27-G41 WeakPolarHBondContact CA-O 3.49Å; H27-W42 AromaticContact CE1-CD1 3.63Å; H27-W42 AromaticContact CE1-CG 3.99Å; H27-C88 CarbonylContact O-C 3.6Å; H27-C88 VanDerWaalsContact O-CA 3.23Å; H27-C88 WeakPolarHBondContact O-CA 3.5Å; H27-A89 PolarHBondContact N-O 2.53Å; H27-A89 PolarHBondContact O-N 3.25Å
28	W	98.3	Very high	95.4	Very high	6 Å²	6	64.1 Å²	64.1	2%	0.023	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	135.1	170.2	-70.4	89	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 3.98Å; L12-W28 HydrophobicContact CD1-CZ3 4.46Å; C14-W28 HydrophobicContact CB-CH2 3.76Å; C14-W28 HydrophobicContact CB-CZ2 3.88Å; W28-I40 HydrophobicContact CB-CB 4.12Å; W28-I40 HydrophobicContact CB-CD1 4.39Å; W28-I40 HydrophobicContact CB-CG2 4.47Å; W28-I40 WeakPolarHBondContact O-CB 2.97Å; W28-I40 PolarHBondContact O-N 3.05Å; W28-G41 PolarHBondContact N-O 2.81Å; W28-L62 HydrophobicContact CG-CD2 4.04Å; W28-A71 HydrophobicContact CZ2-CB 4.21Å; W28-M73 HydrophobicContact CB-SD 3.91Å; W28-M73 HydrophobicContact CD2-CB 3.65Å; W28-M73 HydrophobicContact CD2-CE 4.27Å; W28-M73 HydrophobicContact CD2-CG 4.45Å; W28-M73 HydrophobicContact CD2-SD 4.06Å; W28-M73 HydrophobicContact CE3-CB 3.84Å; W28-M73 HydrophobicContact CE3-CE 3.69Å; W28-M73 HydrophobicContact CE3-SD 4.1Å; W28-M73 HydrophobicContact CG-CB 4.23Å; W28-M73 HydrophobicContact CG-SD 4Å; W28-M73 HydrophobicContact CH2-CB 3.98Å; W28-M73 HydrophobicContact CZ2-CB 3.83Å; W28-M73 HydrophobicContact CZ3-CB 3.99Å; W28-M73 HydrophobicContact CZ3-CE 4.22Å; W28-Y87 WeakPolarHBondContact CA-O 3.16Å; W28-C88 HydrophobicContact CD2-CB 4.44Å; W28-C88 HydrophobicContact CE3-CB 4.31Å; W28-C88 HydrophobicContact CH2-CB 4.4Å; W28-C88 HydrophobicContact CZ2-CB 4.49Å; W28-C88 HydrophobicContact CZ3-CB 4.3Å
29	V	97.9	Very high	95.6	Very high	22 Å²	22	63.6 Å²	63.6	13%	0.133	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	140.2	-175.7	-172.9	0	0	0	0	108.6	L37 E38 Y86 Y87	V29-L37 HydrophobicContact CG1-CB 3.73Å; V29-L37 HydrophobicContact CG1-CD2 3.82Å; V29-L37 HydrophobicContact CG1-CG 4.25Å; V29-E38 WeakPolarHBondContact CA-O 3.32Å; V29-E38 WeakPolarHBondContact CG1-O 3.49Å; V29-Y86 WeakPolarHBondContact O-CA 3.26Å; V29-Y87 PolarHBondContact N-O 3.1Å; V29-Y87 PolarHBondContact O-N 2.72Å
30	R	96.9	Very high	96	Very high	17 Å²	17	60.8 Å²	60.8	6%	0.064	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	150.5	167.4	76.8	171.9	-172.9	-162.5	-7.7	111.9	E38 I40 F56 E81 D82 A84 V85 Y86	R30-E38 HydrophobicContact CG-CB 3.86Å; R30-E38 IonicContact CZ-OE2 2.96Å; R30-E38 PolarHBondContact N-O 2.96Å; R30-E38 IonicContact NE-OE1 2.57Å; R30-E38 IonicContact NE-OE2 3.25Å; R30-E38 PolarHBondContact NE-OE2 2.89Å; R30-E38 IonicContact NH2-OE1 3.64Å; R30-E38 PolarHBondContact NH2-OE1 2.78Å; R30-E38 IonicContact NH2-OE2 2.81Å; R30-E38 PolarHBondContact NH2-OE2 2.89Å; R30-E38 VanDerWaalsContact NH2-OE2 3.17Å; R30-E38 PolarHBondContact O-N 3.25Å; R30-I40 HydrophobicContact CB-CD1 4.13Å; R30-F56 HydrophobicContact CG-CZ 4.27Å; R30-F56 VanDerWaalsContact CZ-CE1 3.49Å; R30-E81 PolarHBondContact NH1-O 2.77Å; R30-D82 IonicContact NH1-OD1 3.31Å; R30-A84 HydrophobicContact CB-CB 3.99Å; R30-A84 HydrophobicContact CG-CB 4.44Å; R30-V85 CarbonylContact C-O 3.52Å; R30-V85 WeakPolarHBondContact CA-O 3.32Å; R30-Y86 HydrophobicContact CB-CD1 3.66Å; R30-Y86 HydrophobicContact CB-CE1 3.53Å; R30-Y86 HydrophobicContact CB-CG 4.45Å; R30-Y86 HydrophobicContact CG-CE1 4.46Å
31	Q	97.1	Very high	96.1	Very high	70 Å²	70	58.4 Å²	58.4	33%	0.327	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	118.1	172.4	-167.9	-179.6	25.1	0	0	109.7	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.87Å; Q31-L37 HydrophobicContact CG-CD2 4.08Å; Q31-A84 WeakPolarHBondContact O-CA 3.37Å; Q31-A84 WeakPolarHBondContact O-CB 3.12Å; Q31-V85 PolarHBondContact N-O 2.95Å; Q31-V85 PolarHBondContact O-N 2.79Å; Q31-Y87 HydrophobicContact CB-CD2 4.46Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 PolarHBondContact OE1-OH 3.04Å
32	R	95.3	Very high	96.3	Very high	38 Å²	38	60.1 Å²	60.1	14%	0.143	32%	0.319	C	S	.	.			trans	-88.8	149.3	172.2	-72.6	-175.6	-79.4	179.3	-6.8	110.2	G34 R35 E38 A84	R32-G34 PolarHBondContact O-N 2.9Å; R32-R35 HydrophobicContact CB-CB 4.06Å; R32-R35 HydrophobicContact CB-CG 4.06Å; R32-R35 VanDerWaalsContact NH1-NH1 3.13Å; R32-R35 PolarHBondContact O-N 2.63Å; R32-E38 IonicContact CZ-OE2 2.91Å; R32-E38 VanDerWaalsContact CZ-OE2 3.31Å; R32-E38 IonicContact NE-OE2 3.41Å; R32-E38 PolarHBondContact NE-OE2 2.57Å; R32-E38 VanDerWaalsContact NH2-CD 3.32Å; R32-E38 IonicContact NH2-OE1 3.97Å; R32-E38 PolarHBondContact NH2-OE1 3.5Å; R32-E38 IonicContact NH2-OE2 3.17Å; R32-E38 PolarHBondContact NH2-OE2 3.43Å; R32-A84 HydrophobicContact CG-CB 3.89Å
33	P	94.1	Very high	96.5	Very high	119 Å²	119	57.5 Å²	57.5	77%	0.773	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	128.4	173.6	-25.4	34.3	0	0	0	111.1	R35	P33-R35 PolarHBondContact O-N 3.06Å
34	G	93.9	Very high	96.6	Very high	95 Å²	95	53.6 Å²	53.6	98%	0.979	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	8.2	-179.2	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 2.9Å
35	R	93.9	Very high	96.6	Very high	143 Å²	143	50 Å²	50	54%	0.54	27%	0.272	S	S	.	.	S	Bend	trans	-119.1	157.2	176.3	-53.4	-169.2	79	158.4	4.9	111.5	R32 P33	R32-R35 HydrophobicContact CB-CB 4.06Å; R32-R35 HydrophobicContact CB-CG 4.06Å; R32-R35 VanDerWaalsContact NH1-NH1 3.13Å; R32-R35 PolarHBondContact O-N 2.63Å; P33-R35 PolarHBondContact O-N 3.06Å
36	G	94.6	Very high	96.4	Very high	56 Å²	56	48.5 Å²	48.5	58%	0.577	27%	0.273	S	S	*	.			trans	-66.9	174.6	172.1	0	0	0	0	0	113
37	L	96.5	Very high	95.7	Very high	118 Å²	118	49.8 Å²	49.8	62%	0.618	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	130.6	175.1	-67.1	174.1	0	0	0	110.8	V29 Q31 Y87	V29-L37 HydrophobicContact CG1-CB 3.73Å; V29-L37 HydrophobicContact CG1-CD2 3.82Å; V29-L37 HydrophobicContact CG1-CG 4.25Å; Q31-L37 HydrophobicContact CB-CD2 3.87Å; Q31-L37 HydrophobicContact CG-CD2 4.08Å; L37-Y87 HydrophobicContact CD2-CD2 4.41Å; L37-Y87 HydrophobicContact CD2-CE2 4.39Å
38	E	97.3	Very high	94.7	Very high	30 Å²	30	53.7 Å²	53.7	14%	0.14	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	112	174.7	-66.3	179	99.2	0	0	109	V29 R30 R32 I40 F56	V29-E38 WeakPolarHBondContact CA-O 3.32Å; V29-E38 WeakPolarHBondContact CG1-O 3.49Å; R30-E38 HydrophobicContact CG-CB 3.86Å; R30-E38 IonicContact CZ-OE2 2.96Å; R30-E38 PolarHBondContact N-O 2.96Å; R30-E38 IonicContact NE-OE1 2.57Å; R30-E38 IonicContact NE-OE2 3.25Å; R30-E38 PolarHBondContact NE-OE2 2.89Å; R30-E38 IonicContact NH2-OE1 3.64Å; R30-E38 PolarHBondContact NH2-OE1 2.78Å; R30-E38 IonicContact NH2-OE2 2.81Å; R30-E38 PolarHBondContact NH2-OE2 2.89Å; R30-E38 VanDerWaalsContact NH2-OE2 3.17Å; R30-E38 PolarHBondContact O-N 3.25Å; R32-E38 IonicContact CZ-OE2 2.91Å; R32-E38 VanDerWaalsContact CZ-OE2 3.31Å; R32-E38 IonicContact NE-OE2 3.41Å; R32-E38 PolarHBondContact NE-OE2 2.57Å; R32-E38 VanDerWaalsContact NH2-CD 3.32Å; R32-E38 IonicContact NH2-OE1 3.97Å; R32-E38 PolarHBondContact NH2-OE1 3.5Å; R32-E38 IonicContact NH2-OE2 3.17Å; R32-E38 PolarHBondContact NH2-OE2 3.43Å; E38-I40 PolarHBondContact O-N 2.83Å; E38-F56 HydrophobicContact CB-CZ 4.31Å
39	W	97.8	Very high	94.5	Very high	78 Å²	78	55.7 Å²	55.7	30%	0.295	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	128.1	176.2	180	70.9	0	0	0	110.9	H27 G41 W42 K51 N53	H27-W39 AromaticContact ND1-CD1 3.91Å; H27-W39 AromaticContact ND1-NE1 3.19Å; H27-W39 PolarHBondContact ND1-NE1 3.17Å; H27-W39 VanDerWaalsContact ND1-NE1 3.19Å; W39-G41 PolarHBondContact NE1-O 2.9Å; W39-W42 HydrophobicContact CZ2-CB 4.34Å; W39-W42 AromaticContact CZ2-CD1 3.39Å; W39-W42 HydrophobicContact CZ2-CG 4.12Å; W39-K51 HydrophobicContact CH2-CB 4.27Å; W39-K51 HydrophobicContact CH2-CD 4.15Å; W39-K51 HydrophobicContact CH2-CG 4.01Å; W39-N53 HydrophobicContact CE3-CB 3.79Å; W39-N53 HydrophobicContact CZ3-CB 3.87Å; W39-N53 VanDerWaalsContact O-CB 3.26Å; W39-N53 WeakPolarHBondContact O-CB 3.43Å; W39-N53 PolarHBondContact O-ND2 2.72Å
40	I	98.1	Very high	94.4	Very high	0 Å²	0	57 Å²	57	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-47.3	-177.3	-65.4	169.5	0	0	0	110.7	W28 R30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.12Å; W28-I40 HydrophobicContact CB-CD1 4.39Å; W28-I40 HydrophobicContact CB-CG2 4.47Å; W28-I40 WeakPolarHBondContact O-CB 2.97Å; W28-I40 PolarHBondContact O-N 3.05Å; R30-I40 HydrophobicContact CB-CD1 4.13Å; E38-I40 PolarHBondContact O-N 2.83Å; I40-N53 PolarHBondContact O-N 3.19Å; I40-F56 HydrophobicContact CB-CD2 4.34Å; I40-F56 HydrophobicContact CB-CG 4.31Å; I40-F56 HydrophobicContact CG1-CD1 4.09Å; I40-F56 HydrophobicContact CG1-CD2 4.17Å; I40-F56 HydrophobicContact CG1-CE1 4.07Å; I40-F56 HydrophobicContact CG1-CE2 4.14Å; I40-F56 HydrophobicContact CG1-CG 4.13Å; I40-F56 HydrophobicContact CG1-CZ 4.09Å; I40-F56 HydrophobicContact CG2-CB 3.84Å; I40-F56 HydrophobicContact CG2-CD1 4.39Å; I40-F56 HydrophobicContact CG2-CD2 4.48Å; I40-F56 HydrophobicContact CG2-CG 4.01Å; I40-A60 HydrophobicContact CG2-CB 3.8Å; I40-M73 HydrophobicContact CD1-CE 3.86Å; I40-M73 HydrophobicContact CD1-SD 3.73Å; I40-M73 HydrophobicContact CG2-SD 3.86Å; I40-Y86 HydrophobicContact CD1-CD1 3.82Å; I40-Y86 HydrophobicContact CD1-CE1 3.82Å
41	G	98	Very high	94.5	Very high	0 Å²	0	62 Å²	62	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.7	176.5	-170.5	0	0	0	0	0	112.5	H27 W28 W39 K51	H27-G41 WeakPolarHBondContact CA-O 3.49Å; W28-G41 PolarHBondContact N-O 2.81Å; W39-G41 PolarHBondContact NE1-O 2.9Å; G41-K51 CarbonylContact C-O 3.49Å; G41-K51 WeakPolarHBondContact CA-O 3.4Å
42	W	97.9	Very high	94.5	Very high	40 Å²	40	61.2 Å²	61.2	15%	0.152	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	153.9	167.5	62.8	-111.5	0	0	0	110.6	W25 I26 H27 W39 D44 A49 T50 K51	W25-W42 HydrophobicContact CB-CD2 4.5Å; W25-W42 HydrophobicContact CB-CE3 4.22Å; W25-W42 HydrophobicContact CD2-CD2 4.45Å; W25-W42 HydrophobicContact CD2-CE3 4.29Å; W25-W42 HydrophobicContact CD2-CZ3 4.39Å; W25-W42 HydrophobicContact CG-CD2 4.42Å; W25-W42 AromaticContact CG-CE3 3.98Å; W25-W42 HydrophobicContact CG-CE3 3.98Å; W25-W42 HydrophobicContact CG-CZ3 4.28Å; I26-W42 WeakPolarHBondContact O-CA 3.35Å; H27-W42 AromaticContact CE1-CD1 3.63Å; H27-W42 AromaticContact CE1-CG 3.99Å; W39-W42 HydrophobicContact CZ2-CB 4.34Å; W39-W42 AromaticContact CZ2-CD1 3.39Å; W39-W42 HydrophobicContact CZ2-CG 4.12Å; W42-D44 HydrophobicContact CE3-CB 4.45Å; W42-D44 HydrophobicContact CZ3-CB 3.83Å; W42-A49 HydrophobicContact CH2-CB 4.1Å; W42-A49 HydrophobicContact CZ3-CB 4.08Å; W42-T50 WeakPolarHBondContact O-CA 3.29Å; W42-T50 WeakPolarHBondContact O-CG2 3.21Å; W42-K51 HydrophobicContact CD2-CB 4.07Å; W42-K51 VanDerWaalsContact CE2-CB 3.49Å; W42-K51 HydrophobicContact CG-CB 4.36Å; W42-K51 HydrophobicContact CZ2-CB 3.8Å; W42-K51 HydrophobicContact CZ2-CD 4.43Å; W42-K51 PolarHBondContact N-O 2.93Å; W42-K51 PolarHBondContact O-N 2.87Å
43	I	97.6	Very high	94.6	Very high	11 Å²	11	61.6 Å²	61.6	6%	0.056	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135.1	170.9	-175.4	164	0	0	0	109.5	W25 I26 P45 L62 A64	W25-I43 WeakPolarHBondContact CA-O 3.48Å; I26-I43 HydrophobicContact CB-CG2 4.23Å; I26-I43 PolarHBondContact N-O 3.01Å; I26-I43 PolarHBondContact O-N 2.8Å; I43-P45 WeakPolarHBondContact O-CD 3.11Å; I43-L62 HydrophobicContact CB-CB 4.12Å; I43-L62 HydrophobicContact CD1-CB 4.4Å; I43-L62 HydrophobicContact CG2-CB 4.43Å; I43-A64 HydrophobicContact CD1-CB 3.96Å; I43-A64 HydrophobicContact CG1-CB 4.46Å
44	D	96.4	Very high	94.7	Very high	32 Å²	32	62.3 Å²	62.3	17%	0.171	36%	0.36	C	S	.	.			trans	-81.6	117.3	165.6	173.7	8.6	0	0	0	107.6	W42 N46 G47 A49	W42-D44 HydrophobicContact CE3-CB 4.45Å; W42-D44 HydrophobicContact CZ3-CB 3.83Å; D44-N46 VanDerWaalsContact C-N 3.26Å; D44-N46 PolarHBondContact O-N 3.4Å; D44-N46 WeakPolarHBondContact OD1-CB 2.93Å; D44-N46 PolarHBondContact OD1-N 3.3Å; D44-G47 CarbonylContact C-O 3.41Å; D44-G47 WeakPolarHBondContact CB-O 2.97Å; D44-G47 VanDerWaalsContact CG-N 3.28Å; D44-G47 VanDerWaalsContact CG-O 3.3Å; D44-G47 PolarHBondContact OD1-N 3.07Å; D44-G47 WeakPolarHBondContact OD2-CA 3.21Å; D44-G47 PolarHBondContact OD2-N 3.47Å; D44-G47 VanDerWaalsContact OD2-N 3.12Å; D44-A49 HydrophobicContact CB-CB 4.3Å; D44-A49 PolarHBondContact N-O 3.39Å
45	P	94.6	Very high	94.7	Very high	5 Å²	5	65.4 Å²	65.4	3%	0.032	35%	0.346	C	S	.	.	S	Bend	trans	-73.3	-21.2	178.7	-15.5	30.9	0	0	0	112.3	F21 Y24 I26 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.78Å; F21-P45 HydrophobicContact CD1-CG 4.26Å; F21-P45 HydrophobicContact CD2-CG 4.37Å; F21-P45 HydrophobicContact CE1-CB 3.43Å; F21-P45 VanDerWaalsContact CE1-CB 3.43Å; F21-P45 HydrophobicContact CE1-CG 3.9Å; F21-P45 HydrophobicContact CE2-CB 4.48Å; F21-P45 HydrophobicContact CE2-CG 4.03Å; F21-P45 HydrophobicContact CG-CB 4.44Å; F21-P45 HydrophobicContact CZ-CB 3.82Å; F21-P45 HydrophobicContact CZ-CG 3.77Å; Y24-P45 WeakPolarHBondContact O-CD 3.09Å; Y24-P45 WeakPolarHBondContact O-CG 3.19Å; I26-P45 HydrophobicContact CG1-CG 3.88Å; I43-P45 WeakPolarHBondContact O-CD 3.11Å; P45-A64 HydrophobicContact CB-CB 4.06Å; P45-K66 WeakPolarHBondContact O-CE 3.14Å
46	N	92.8	Very high	94.8	Very high	94 Å²	94	58.8 Å²	58.8	50%	0.503	32%	0.321	S	S	.	.	S	Bend	trans	-82.8	-57.7	179.7	-171.7	33	0	0	0	111.9	I22 D44 K66	I22-N46 HydrophobicContact CB-CB 4.14Å; I22-N46 VanDerWaalsContact O-CB 3.26Å; I22-N46 WeakPolarHBondContact O-CB 3.26Å; D44-N46 VanDerWaalsContact C-N 3.26Å; D44-N46 PolarHBondContact O-N 3.4Å; D44-N46 WeakPolarHBondContact OD1-CB 2.93Å; D44-N46 PolarHBondContact OD1-N 3.3Å; N46-K66 PolarHBondContact O-NZ 2.81Å
47	G	82.3	Confident	94.8	Very high	29 Å²	29	61.1 Å²	61.1	30%	0.299	32%	0.315	S	S	.	.	S	Bend	trans	-97.5	140.7	173.6	0	0	0	0	0	110.5	D44 A49	D44-G47 CarbonylContact C-O 3.41Å; D44-G47 WeakPolarHBondContact CB-O 2.97Å; D44-G47 VanDerWaalsContact CG-N 3.28Å; D44-G47 VanDerWaalsContact CG-O 3.3Å; D44-G47 PolarHBondContact OD1-N 3.07Å; D44-G47 WeakPolarHBondContact OD2-CA 3.21Å; D44-G47 PolarHBondContact OD2-N 3.47Å; D44-G47 VanDerWaalsContact OD2-N 3.12Å; G47-A49 PolarHBondContact O-N 3.05Å
48	S	77.6	Confident	94.7	Very high	125 Å²	125	63.2 Å²	63.2	87%	0.874	33%	0.327	S	S	*	.			trans	-66.5	18.4	-176	55.9	0	0	0	0	115.3
49	A	94	Very high	94.6	Very high	47 Å²	47	63.9 Å²	63.9	39%	0.388	33%	0.329	S	S	.	.			trans	-70.3	132.7	178.2	0	0	0	0	0	110.2	W42 D44 G47	W42-A49 HydrophobicContact CH2-CB 4.1Å; W42-A49 HydrophobicContact CZ3-CB 4.08Å; D44-A49 HydrophobicContact CB-CB 4.3Å; D44-A49 PolarHBondContact N-O 3.39Å; G47-A49 PolarHBondContact O-N 3.05Å
50	T	96.7	Very high	94.5	Very high	51 Å²	51	60.2 Å²	60.2	31%	0.313	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	136.2	175.6	-55.3	0	0	0	0	108.3	W42 Y52 L62	W42-T50 WeakPolarHBondContact O-CA 3.29Å; W42-T50 WeakPolarHBondContact O-CG2 3.21Å; T50-Y52 HydrophobicContact CG2-CD2 4.09Å; T50-Y52 HydrophobicContact CG2-CE1 4.32Å; T50-Y52 HydrophobicContact CG2-CE2 3.36Å; T50-L62 HydrophobicContact CG2-CB 3.94Å; T50-L62 HydrophobicContact CG2-CD1 3.91Å; T50-L62 HydrophobicContact CG2-CG 4.18Å
51	K	97.4	Very high	94.5	Very high	121 Å²	121	63.4 Å²	63.4	53%	0.526	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	138	173.4	-165.5	179.8	-179.1	175.5	0	109.5	W39 G41 W42	W39-K51 HydrophobicContact CH2-CB 4.27Å; W39-K51 HydrophobicContact CH2-CD 4.15Å; W39-K51 HydrophobicContact CH2-CG 4.01Å; G41-K51 CarbonylContact C-O 3.49Å; G41-K51 WeakPolarHBondContact CA-O 3.4Å; W42-K51 HydrophobicContact CD2-CB 4.07Å; W42-K51 VanDerWaalsContact CE2-CB 3.49Å; W42-K51 HydrophobicContact CG-CB 4.36Å; W42-K51 HydrophobicContact CZ2-CB 3.8Å; W42-K51 HydrophobicContact CZ2-CD 4.43Å; W42-K51 PolarHBondContact N-O 2.93Å; W42-K51 PolarHBondContact O-N 2.87Å
52	Y	98.1	Very high	94.5	Very high	53 Å²	53	63.8 Å²	63.8	21%	0.208	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	152.5	176.5	-64.4	-88.4	0	0	0	110.4	T50 A60 L62	T50-Y52 HydrophobicContact CG2-CD2 4.09Å; T50-Y52 HydrophobicContact CG2-CE1 4.32Å; T50-Y52 HydrophobicContact CG2-CE2 3.36Å; Y52-A60 HydrophobicContact CE1-CB 4.26Å; Y52-A60 VanDerWaalsContact CE1-O 3.24Å; Y52-A60 WeakPolarHBondContact CE1-O 3.36Å; Y52-L62 HydrophobicContact CE1-CD1 4.15Å; Y52-L62 HydrophobicContact CE1-CD2 4.49Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 2.97Å
53	N	97.4	Very high	94.4	Very high	47 Å²	47	64.9 Å²	64.9	25%	0.251	35%	0.349	S	S	.	.			trans	-75.4	134.8	155	178.7	-23.9	0	0	0	108.2	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.79Å; W39-N53 HydrophobicContact CZ3-CB 3.87Å; W39-N53 VanDerWaalsContact O-CB 3.26Å; W39-N53 WeakPolarHBondContact O-CB 3.43Å; W39-N53 PolarHBondContact O-ND2 2.72Å; I40-N53 PolarHBondContact O-N 3.19Å; N53-K55 PolarHBondContact O-N 2.84Å; N53-K55 PolarHBondContact OD1-N 2.84Å; N53-K55 VanDerWaalsContact OD1-N 3.17Å; N53-F56 HydrophobicContact CB-CD2 3.98Å; N53-F56 PolarHBondContact O-N 3.18Å; N53-K57 PolarHBondContact O-N 3.2Å
54	E	96.1	Very high	94.4	Very high	134 Å²	134	66.1 Å²	66.1	63%	0.626	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-31.2	-176	-67.6	-58.7	146	0	0	113	F56 K57	E54-F56 PolarHBondContact O-N 2.89Å; E54-K57 IonicContact OE1-NZ 3.58Å; E54-K57 WeakPolarHBondContact OE2-CD 3.26Å; E54-K57 IonicContact OE2-NZ 2.91Å
55	K	93.9	Very high	94.3	Very high	159 Å²	159	67.5 Å²	67.5	69%	0.691	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.9	175.8	-65.5	-174.2	-175.9	-179.1	0	114.1	N53	N53-K55 PolarHBondContact O-N 2.84Å; N53-K55 PolarHBondContact OD1-N 2.84Å; N53-K55 VanDerWaalsContact OD1-N 3.17Å
56	F	95.6	Very high	94.3	Very high	4 Å²	4	72.4 Å²	72.4	2%	0.018	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-6.1	-172.4	-59.8	-83.8	0	0	0	113.4	R30 E38 I40 N53 E54 N58 K59 A60	R30-F56 HydrophobicContact CG-CZ 4.27Å; R30-F56 VanDerWaalsContact CZ-CE1 3.49Å; E38-F56 HydrophobicContact CB-CZ 4.31Å; I40-F56 HydrophobicContact CB-CD2 4.34Å; I40-F56 HydrophobicContact CB-CG 4.31Å; I40-F56 HydrophobicContact CG1-CD1 4.09Å; I40-F56 HydrophobicContact CG1-CD2 4.17Å; I40-F56 HydrophobicContact CG1-CE1 4.07Å; I40-F56 HydrophobicContact CG1-CE2 4.14Å; I40-F56 HydrophobicContact CG1-CG 4.13Å; I40-F56 HydrophobicContact CG1-CZ 4.09Å; I40-F56 HydrophobicContact CG2-CB 3.84Å; I40-F56 HydrophobicContact CG2-CD1 4.39Å; I40-F56 HydrophobicContact CG2-CD2 4.48Å; I40-F56 HydrophobicContact CG2-CG 4.01Å; N53-F56 HydrophobicContact CB-CD2 3.98Å; N53-F56 PolarHBondContact O-N 3.18Å; E54-F56 PolarHBondContact O-N 2.89Å; F56-N58 PolarHBondContact O-N 3.16Å; F56-N58 VanDerWaalsContact O-N 3.16Å; F56-K59 PolarHBondContact O-N 2.87Å; F56-A60 HydrophobicContact CB-CB 4.36Å; F56-A60 PolarHBondContact O-N 2.01Å
57	K	94.2	Very high	94.3	Very high	105 Å²	105	73.8 Å²	73.8	46%	0.457	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-35.3	-173.7	-171.5	176	-176	175.6	0	114.1	N53 E54	N53-K57 PolarHBondContact O-N 3.2Å; E54-K57 IonicContact OE1-NZ 3.58Å; E54-K57 WeakPolarHBondContact OE2-CD 3.26Å; E54-K57 IonicContact OE2-NZ 2.91Å
58	N	94.3	Very high	95	Very high	162 Å²	162	73.9 Å²	73.9	87%	0.866	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-2.4	178.7	-61.7	-25	0	0	0	113.3	F56	F56-N58 PolarHBondContact O-N 3.16Å; F56-N58 VanDerWaalsContact O-N 3.16Å
59	K	95.1	Very high	95.9	Very high	44 Å²	44	69.7 Å²	69.7	19%	0.191	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-34.8	-170.8	-160.7	165.8	-161.2	170.4	0	113.2	F56 L75 S76 D82	F56-K59 PolarHBondContact O-N 2.87Å; K59-L75 WeakPolarHBondContact O-CA 3.27Å; K59-S76 WeakPolarHBondContact CG-O 3.3Å; K59-S76 PolarHBondContact O-N 2.95Å; K59-D82 WeakPolarHBondContact CE-OD1 3.48Å; K59-D82 WeakPolarHBondContact CE-OD2 2.96Å; K59-D82 IonicContact NZ-OD1 3.52Å; K59-D82 PolarHBondContact NZ-OD1 3.37Å; K59-D82 IonicContact NZ-OD2 2.72Å; K59-D82 PolarHBondContact NZ-OD2 2.83Å
60	A	97.2	Very high	96	Very high	2 Å²	2	67.8 Å²	67.8	2%	0.017	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	140.2	-179.2	0	0	0	0	0	110.8	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.8Å; Y52-A60 HydrophobicContact CE1-CB 4.26Å; Y52-A60 VanDerWaalsContact CE1-O 3.24Å; Y52-A60 WeakPolarHBondContact CE1-O 3.36Å; F56-A60 HydrophobicContact CB-CB 4.36Å; F56-A60 PolarHBondContact O-N 2.01Å; A60-M73 HydrophobicContact CB-CG 4.33Å; A60-M73 HydrophobicContact CB-SD 4.26Å; A60-Q74 CarbonylContact C-O 3.59Å; A60-Q74 VanDerWaalsContact CA-O 3.3Å; A60-Q74 WeakPolarHBondContact CA-O 3.42Å; A60-L75 HydrophobicContact CB-CD2 3.92Å
61	T	97.7	Very high	96.1	Very high	67 Å²	67	65.4 Å²	65.4	41%	0.411	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.4	167.3	-59.4	0	0	0	0	108.5	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.49Å; T61-M73 WeakPolarHBondContact O-CA 3.33Å; T61-Q74 PolarHBondContact N-O 2.76Å; T61-Q74 PolarHBondContact O-N 2.98Å
62	L	97.6	Very high	96.1	Very high	8 Å²	8	62.2 Å²	62.2	4%	0.042	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	133.7	179.7	-50.1	-174.6	0	0	0	110	W28 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.04Å; I43-L62 HydrophobicContact CB-CB 4.12Å; I43-L62 HydrophobicContact CD1-CB 4.4Å; I43-L62 HydrophobicContact CG2-CB 4.43Å; T50-L62 HydrophobicContact CG2-CB 3.94Å; T50-L62 HydrophobicContact CG2-CD1 3.91Å; T50-L62 HydrophobicContact CG2-CG 4.18Å; Y52-L62 HydrophobicContact CE1-CD1 4.15Å; Y52-L62 HydrophobicContact CE1-CD2 4.49Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 2.97Å; L62-Y72 WeakPolarHBondContact CA-O 3.38Å; L62-M73 HydrophobicContact CD2-CB 3.78Å; L62-M73 HydrophobicContact CD2-CG 3.6Å; L62-M73 HydrophobicContact CD2-SD 3.97Å
63	T	97.1	Very high	96.1	Very high	63 Å²	63	59.7 Å²	59.7	39%	0.387	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	159.1	174.6	52.6	0	0	0	0	110.3	T61 A71 Y72	T61-T63 HydrophobicContact CG2-CG2 4.49Å; T63-A71 CarbonylContact O-C 3.59Å; T63-Y72 PolarHBondContact N-O 3.09Å; T63-Y72 PolarHBondContact O-N 2.94Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.3Å
64	A	96.3	Very high	96.1	Very high	37 Å²	37	61.3 Å²	61.3	31%	0.306	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	139.5	179.3	0	0	0	0	0	110.2	F21 I43 P45	F21-A64 HydrophobicContact CE1-CB 4.16Å; F21-A64 HydrophobicContact CZ-CB 4.13Å; I43-A64 HydrophobicContact CD1-CB 3.96Å; I43-A64 HydrophobicContact CG1-CB 4.46Å; P45-A64 HydrophobicContact CB-CB 4.06Å
65	D	95.3	Very high	96.1	Very high	60 Å²	60	55 Å²	55	32%	0.321	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	105.8	176.6	177.6	21.7	0	0	0	109.1	P67 S68 S69 T70 Y72	D65-P67 VanDerWaalsContact OD1-CD 3.24Å; D65-P67 WeakPolarHBondContact OD1-CD 3.35Å; D65-S68 WeakPolarHBondContact CB-OG 3.44Å; D65-S68 WeakPolarHBondContact OD2-CB 3.5Å; D65-S68 PolarHBondContact OD2-OG 2.85Å; D65-S69 PolarHBondContact O-N 2.91Å; D65-T70 PolarHBondContact N-O 2.98Å; D65-T70 PolarHBondContact O-N 3.06Å; D65-T70 VanDerWaalsContact O-N 3.15Å; D65-Y72 HydrophobicContact CB-CE2 3.82Å
66	K	94	Very high	96.2	Very high	108 Å²	108	49.2 Å²	49.2	47%	0.47	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-51.7	-173.9	-56.7	171.5	170.1	178.1	0	111.5	I22 P45 N46 S68 S69	I22-K66 HydrophobicContact CG2-CB 4.43Å; I22-K66 HydrophobicContact CG2-CD 4.47Å; I22-K66 HydrophobicContact CG2-CG 4.19Å; P45-K66 WeakPolarHBondContact O-CE 3.14Å; N46-K66 PolarHBondContact O-NZ 2.81Å; K66-S68 VanDerWaalsContact C-N 3.29Å; K66-S68 PolarHBondContact O-N 2.88Å; K66-S69 PolarHBondContact O-N 2.84Å; K66-S69 VanDerWaalsContact O-N 3.1Å
67	P	93.4	Very high	96.1	Very high	124 Å²	124	53 Å²	53	81%	0.805	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-41.6	176.7	-29.1	31.6	0	0	0	115	D65	D65-P67 VanDerWaalsContact OD1-CD 3.24Å; D65-P67 WeakPolarHBondContact OD1-CD 3.35Å
68	S	95.6	Very high	96.1	Very high	30 Å²	30	48.7 Å²	48.7	21%	0.21	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-3.5	-178.4	73.6	0	0	0	0	114.3	D65 K66 T70	D65-S68 WeakPolarHBondContact CB-OG 3.44Å; D65-S68 WeakPolarHBondContact OD2-CB 3.5Å; D65-S68 PolarHBondContact OD2-OG 2.85Å; K66-S68 VanDerWaalsContact C-N 3.29Å; K66-S68 PolarHBondContact O-N 2.88Å; S68-T70 PolarHBondContact O-N 2.87Å; S68-T70 PolarHBondContact O-OG1 2.82Å; S68-T70 VanDerWaalsContact O-OG1 3.11Å; S68-T70 VanDerWaalsContact OG-CB 3.27Å; S68-T70 WeakPolarHBondContact OG-CB 3.19Å; S68-T70 PolarHBondContact OG-OG1 2.97Å
69	S	96.3	Very high	96	Very high	38 Å²	38	44.1 Å²	44.1	27%	0.266	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	40	-173.5	-60.4	0	0	0	0	112.9	T16 D65 K66	T16-S69 PolarHBondContact N-O 2.93Å; T16-S69 PolarHBondContact OG1-O 3.49Å; D65-S69 PolarHBondContact O-N 2.91Å; K66-S69 PolarHBondContact O-N 2.84Å; K66-S69 VanDerWaalsContact O-N 3.1Å
70	T	97.7	Very high	95.8	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.043	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	125.9	-174.3	-53.4	0	0	0	0	111	C14 R15 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.57Å; C14-T70 WeakPolarHBondContact O-CA 3.39Å; R15-T70 HydrophobicContact CB-CG2 4.42Å; D65-T70 PolarHBondContact N-O 2.98Å; D65-T70 PolarHBondContact O-N 3.06Å; D65-T70 VanDerWaalsContact O-N 3.15Å; S68-T70 PolarHBondContact O-N 2.87Å; S68-T70 PolarHBondContact O-OG1 2.82Å; S68-T70 VanDerWaalsContact O-OG1 3.11Å; S68-T70 VanDerWaalsContact OG-CB 3.27Å; S68-T70 WeakPolarHBondContact OG-CB 3.19Å; S68-T70 PolarHBondContact OG-OG1 2.97Å; T70-Y72 HydrophobicContact CG2-CD1 4.24Å; T70-Y72 HydrophobicContact CG2-CD2 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.66Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å
71	A	97.4	Very high	95.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	148.1	166	0	0	0	0	0	109.9	S13 C14 F21 I26 W28 T63	S13-A71 CarbonylContact C-O 3.53Å; C14-A71 HydrophobicContact CB-CB 4.41Å; C14-A71 PolarHBondContact N-O 3.48Å; C14-A71 PolarHBondContact O-N 3.15Å; F21-A71 HydrophobicContact CE2-CB 4.34Å; F21-A71 HydrophobicContact CZ-CB 4.14Å; I26-A71 HydrophobicContact CB-CB 4.1Å; I26-A71 HydrophobicContact CG1-CB 4.27Å; I26-A71 HydrophobicContact CG2-CB 3.72Å; W28-A71 HydrophobicContact CZ2-CB 4.21Å; T63-A71 CarbonylContact O-C 3.59Å
72	Y	97.8	Very high	95.3	Very high	54 Å²	54	50.5 Å²	50.5	21%	0.212	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.4	176.9	-56.9	-87.1	0	0	0	110.9	K11 L12 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 VanDerWaalsContact CE-CD1 3.43Å; K11-Y72 VanDerWaalsContact CE-CG 3.49Å; K11-Y72 HydrophobicContact CG-CD1 4.36Å; L12-Y72 CarbonylContact O-C 3.53Å; L12-Y72 WeakPolarHBondContact O-CA 3.46Å; L62-Y72 WeakPolarHBondContact CA-O 3.38Å; T63-Y72 PolarHBondContact N-O 3.09Å; T63-Y72 PolarHBondContact O-N 2.94Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.3Å; D65-Y72 HydrophobicContact CB-CE2 3.82Å; T70-Y72 HydrophobicContact CG2-CD1 4.24Å; T70-Y72 HydrophobicContact CG2-CD2 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.66Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å
73	M	97.9	Very high	95.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	119.7	167.4	178.1	172.5	70.6	0	0	109	L12 W28 I40 A60 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.69Å; L12-M73 PolarHBondContact N-O 2.91Å; L12-M73 PolarHBondContact O-N 2.83Å; W28-M73 HydrophobicContact CB-SD 3.91Å; W28-M73 HydrophobicContact CD2-CB 3.65Å; W28-M73 HydrophobicContact CD2-CE 4.27Å; W28-M73 HydrophobicContact CD2-CG 4.45Å; W28-M73 HydrophobicContact CD2-SD 4.06Å; W28-M73 HydrophobicContact CE3-CB 3.84Å; W28-M73 HydrophobicContact CE3-CE 3.69Å; W28-M73 HydrophobicContact CE3-SD 4.1Å; W28-M73 HydrophobicContact CG-CB 4.23Å; W28-M73 HydrophobicContact CG-SD 4Å; W28-M73 HydrophobicContact CH2-CB 3.98Å; W28-M73 HydrophobicContact CZ2-CB 3.83Å; W28-M73 HydrophobicContact CZ3-CB 3.99Å; W28-M73 HydrophobicContact CZ3-CE 4.22Å; I40-M73 HydrophobicContact CD1-CE 3.86Å; I40-M73 HydrophobicContact CD1-SD 3.73Å; I40-M73 HydrophobicContact CG2-SD 3.86Å; A60-M73 HydrophobicContact CB-CG 4.33Å; A60-M73 HydrophobicContact CB-SD 4.26Å; T61-M73 WeakPolarHBondContact O-CA 3.33Å; L62-M73 HydrophobicContact CD2-CB 3.78Å; L62-M73 HydrophobicContact CD2-CG 3.6Å; L62-M73 HydrophobicContact CD2-SD 3.97Å; M73-L75 HydrophobicContact CE-CD1 3.98Å; M73-L75 HydrophobicContact CE-CD2 4.3Å; M73-L75 HydrophobicContact CE-CG 4.1Å; M73-L75 HydrophobicContact CG-CD2 4.43Å; M73-L75 HydrophobicContact CG-CG 4.34Å; M73-L75 HydrophobicContact SD-CD2 4.21Å; M73-L75 HydrophobicContact SD-CG 4.47Å; M73-Y86 HydrophobicContact CE-CD1 3.49Å; M73-Y86 VanDerWaalsContact CE-CD1 3.49Å; M73-Y86 HydrophobicContact CE-CE1 3.95Å; M73-Y86 HydrophobicContact CE-CG 4.21Å
74	Q	97.7	Very high	95	Very high	82 Å²	82	52.8 Å²	52.8	38%	0.383	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.4	169.4	-176.7	170.5	-5	0	0	109.2	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.49Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.24Å; A60-Q74 CarbonylContact C-O 3.59Å; A60-Q74 VanDerWaalsContact CA-O 3.3Å; A60-Q74 WeakPolarHBondContact CA-O 3.42Å; T61-Q74 PolarHBondContact N-O 2.76Å; T61-Q74 PolarHBondContact O-N 2.98Å
75	L	96.6	Very high	95	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	128.6	171.2	-66.6	168.1	0	0	0	108.8	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.41Å; S9-L75 WeakPolarHBondContact CA-O 3.1Å; S9-L75 WeakPolarHBondContact CB-O 3.35Å; V10-L75 HydrophobicContact CG1-CB 3.93Å; V10-L75 HydrophobicContact CG1-CD1 4.25Å; V10-L75 PolarHBondContact N-O 3.15Å; V10-L75 PolarHBondContact O-N 3.31Å; K59-L75 WeakPolarHBondContact O-CA 3.27Å; A60-L75 HydrophobicContact CB-CD2 3.92Å; M73-L75 HydrophobicContact CE-CD1 3.98Å; M73-L75 HydrophobicContact CE-CD2 4.3Å; M73-L75 HydrophobicContact CE-CG 4.1Å; M73-L75 HydrophobicContact CG-CD2 4.43Å; M73-L75 HydrophobicContact CG-CG 4.34Å; M73-L75 HydrophobicContact SD-CD2 4.21Å; M73-L75 HydrophobicContact SD-CG 4.47Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; L75-Y86 HydrophobicContact CD1-CD1 4.35Å; L75-Y86 HydrophobicContact CD1-CE1 3.62Å; L75-Y86 HydrophobicContact CD1-CE2 4.16Å
76	S	95.3	Very high	95.1	Very high	36 Å²	36	54.2 Å²	54.2	25%	0.252	32%	0.317	S	S	.	.			trans	-108.6	154.3	-177.9	-58.7	0	0	0	0	111.6	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.36Å; K59-S76 WeakPolarHBondContact CG-O 3.3Å; K59-S76 PolarHBondContact O-N 2.95Å; S76-L78 PolarHBondContact O-N 3.03Å
77	S	94.1	Very high	95.3	Very high	83 Å²	83	53.7 Å²	53.7	58%	0.58	31%	0.313	S	S	*	.	S	Bend	trans	52.2	53.8	174	-56	0	0	0	0	112.8	A8	A8-S77 PolarHBondContact O-N 2.94Å
78	L	93.8	Very high	95.5	Very high	15 Å²	15	50.1 Å²	50.1	8%	0.079	29%	0.291	C	S	.	.			trans	-62.6	139	-174.1	-67.7	172.6	0	0	0	112.6	V4 G7 A8 V10 L75 S76 D82	V4-L78 HydrophobicContact CB-CD1 4.07Å; V4-L78 HydrophobicContact CG2-CD1 3.42Å; V4-L78 VanDerWaalsContact CG2-CD1 3.42Å; G7-L78 PolarHBondContact N-O 3.11Å; A8-L78 WeakPolarHBondContact O-CB 3.42Å; A8-L78 WeakPolarHBondContact O-CG 3.42Å; A8-L78 PolarHBondContact O-N 2.89Å; V10-L78 HydrophobicContact CB-CD1 4.04Å; V10-L78 HydrophobicContact CG1-CD1 3.73Å; V10-L78 HydrophobicContact CG1-CD2 4.33Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; S76-L78 PolarHBondContact O-N 3.03Å; L78-D82 WeakPolarHBondContact CA-OD2 3.27Å; L78-D82 HydrophobicContact CD2-CB 3.84Å
79	T	93.2	Very high	95.5	Very high	66 Å²	66	51 Å²	51	41%	0.405	30%	0.3	S	S	.	.			trans	-122.4	171.9	173.1	68.6	0	0	0	0	110	E81 D82	T79-E81 PolarHBondContact O-N 3.41Å; T79-E81 VanDerWaalsContact O-N 3.15Å; T79-E81 PolarHBondContact OG1-N 2.94Å; T79-D82 PolarHBondContact N-OD2 2.98Å; T79-D82 PolarHBondContact O-N 2.82Å; T79-D82 PolarHBondContact OG1-OD2 3.29Å
80	S	90.7	Very high	95.4	Very high	110 Å²	110	55.2 Å²	55.2	77%	0.769	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-57.4	-27.3	175.6	51.7	0	0	0	0	112.9	D82 S83	S80-D82 PolarHBondContact O-N 3.22Å; S80-S83 WeakPolarHBondContact O-CB 3.43Å; S80-S83 PolarHBondContact O-N 3.13Å
81	E	90.4	Very high	94.9	Very high	127 Å²	127	58.7 Å²	58.7	59%	0.593	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-69.9	-16.6	178.4	-58.9	-167.8	156	0	0	114.1	R30 T79 S83	R30-E81 PolarHBondContact NH1-O 2.77Å; T79-E81 PolarHBondContact O-N 3.41Å; T79-E81 VanDerWaalsContact O-N 3.15Å; T79-E81 PolarHBondContact OG1-N 2.94Å; E81-S83 VanDerWaalsContact C-N 3.32Å
82	D	93.3	Very high	94.8	Very high	10 Å²	10	61.6 Å²	61.6	5%	0.053	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-87.8	-4.1	176.9	-53.8	-50.6	0	0	0	112.9	R30 K59 L78 T79 S80 A84 Y86	R30-D82 IonicContact NH1-OD1 3.31Å; K59-D82 WeakPolarHBondContact CE-OD1 3.48Å; K59-D82 WeakPolarHBondContact CE-OD2 2.96Å; K59-D82 IonicContact NZ-OD1 3.52Å; K59-D82 PolarHBondContact NZ-OD1 3.37Å; K59-D82 IonicContact NZ-OD2 2.72Å; K59-D82 PolarHBondContact NZ-OD2 2.83Å; L78-D82 WeakPolarHBondContact CA-OD2 3.27Å; L78-D82 HydrophobicContact CD2-CB 3.84Å; T79-D82 PolarHBondContact N-OD2 2.98Å; T79-D82 PolarHBondContact O-N 2.82Å; T79-D82 PolarHBondContact OG1-OD2 3.29Å; S80-D82 PolarHBondContact O-N 3.22Å; D82-A84 PolarHBondContact O-N 3.48Å; D82-Y86 WeakPolarHBondContact O-CE2 3.2Å; D82-Y86 PolarHBondContact O-OH 3.12Å
83	S	94	Very high	94.6	Very high	95 Å²	95	62 Å²	62	66%	0.664	37%	0.372	S	S	*	.			trans	-66.1	108.4	174.1	-166.6	0	0	0	0	109.5	S80 E81	S80-S83 WeakPolarHBondContact O-CB 3.43Å; S80-S83 PolarHBondContact O-N 3.13Å; E81-S83 VanDerWaalsContact C-N 3.32Å
84	A	95.3	Very high	94.4	Very high	25 Å²	25	65.4 Å²	65.4	21%	0.207	39%	0.393	C	S	.	.	S	Bend	trans	-160.7	164.7	-173.8	0	0	0	0	0	110	R30 Q31 R32 D82 Y86	R30-A84 HydrophobicContact CB-CB 3.99Å; R30-A84 HydrophobicContact CG-CB 4.44Å; Q31-A84 WeakPolarHBondContact O-CA 3.37Å; Q31-A84 WeakPolarHBondContact O-CB 3.12Å; R32-A84 HydrophobicContact CG-CB 3.89Å; D82-A84 PolarHBondContact O-N 3.48Å; A84-Y86 HydrophobicContact CB-CD2 4.48Å; A84-Y86 HydrophobicContact CB-CE2 3.94Å; A84-Y86 WeakPolarHBondContact O-CD2 3.44Å
85	V	96.5	Very high	94.3	Very high	77 Å²	77	64.5 Å²	64.5	47%	0.467	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	131.9	161.5	-173.3	0	0	0	0	107.9	R30 Q31 Y87	R30-V85 CarbonylContact C-O 3.52Å; R30-V85 WeakPolarHBondContact CA-O 3.32Å; Q31-V85 PolarHBondContact N-O 2.95Å; Q31-V85 PolarHBondContact O-N 2.79Å; V85-Y87 HydrophobicContact CB-CE2 3.98Å; V85-Y87 HydrophobicContact CG1-CD1 4.41Å; V85-Y87 HydrophobicContact CG1-CD2 4.38Å; V85-Y87 HydrophobicContact CG1-CE1 3.72Å; V85-Y87 HydrophobicContact CG1-CE2 3.7Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.48Å
86	Y	97.3	Very high	94.1	Very high	49 Å²	49	68.4 Å²	68.4	19%	0.192	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.9	178.6	-69.1	-88.6	0	0	0	109.6	L12 V29 R30 I40 M73 L75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.25Å; L12-Y86 HydrophobicContact CD1-CD2 3.98Å; L12-Y86 HydrophobicContact CD1-CG 3.67Å; V29-Y86 WeakPolarHBondContact O-CA 3.26Å; R30-Y86 HydrophobicContact CB-CD1 3.66Å; R30-Y86 HydrophobicContact CB-CE1 3.53Å; R30-Y86 HydrophobicContact CB-CG 4.45Å; R30-Y86 HydrophobicContact CG-CE1 4.46Å; I40-Y86 HydrophobicContact CD1-CD1 3.82Å; I40-Y86 HydrophobicContact CD1-CE1 3.82Å; M73-Y86 HydrophobicContact CE-CD1 3.49Å; M73-Y86 VanDerWaalsContact CE-CD1 3.49Å; M73-Y86 HydrophobicContact CE-CE1 3.95Å; M73-Y86 HydrophobicContact CE-CG 4.21Å; L75-Y86 HydrophobicContact CD1-CD1 4.35Å; L75-Y86 HydrophobicContact CD1-CE1 3.62Å; L75-Y86 HydrophobicContact CD1-CE2 4.16Å; D82-Y86 WeakPolarHBondContact O-CE2 3.2Å; D82-Y86 PolarHBondContact O-OH 3.12Å; A84-Y86 HydrophobicContact CB-CD2 4.48Å; A84-Y86 HydrophobicContact CB-CE2 3.94Å; A84-Y86 WeakPolarHBondContact O-CD2 3.44Å
87	Y	97.4	Very high	94	Very high	97 Å²	97	70.5 Å²	70.5	38%	0.38	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143.9	179.6	-55.9	-82.2	0	0	0	109.6	W28 V29 Q31 L37 V85	W28-Y87 WeakPolarHBondContact CA-O 3.16Å; V29-Y87 PolarHBondContact N-O 3.1Å; V29-Y87 PolarHBondContact O-N 2.72Å; Q31-Y87 HydrophobicContact CB-CD2 4.46Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 PolarHBondContact OE1-OH 3.04Å; L37-Y87 HydrophobicContact CD2-CD2 4.41Å; L37-Y87 HydrophobicContact CD2-CE2 4.39Å; V85-Y87 HydrophobicContact CB-CE2 3.98Å; V85-Y87 HydrophobicContact CG1-CD1 4.41Å; V85-Y87 HydrophobicContact CG1-CD2 4.38Å; V85-Y87 HydrophobicContact CG1-CE1 3.72Å; V85-Y87 HydrophobicContact CG1-CE2 3.7Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.48Å
88	C	96.9	Very high	94	Very high	50 Å²	50	69.6 Å²	69.6	34%	0.338	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	144.3	160	60.7	0	0	0	0	109.4	C14 I26 H27 W28	C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 2.75Å; C14-C88 WeakPolarHBondContact SG-CB 3.35Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.06Å; I26-C88 HydrophobicContact CG2-CB 4.29Å; H27-C88 CarbonylContact O-C 3.6Å; H27-C88 VanDerWaalsContact O-CA 3.23Å; H27-C88 WeakPolarHBondContact O-CA 3.5Å; W28-C88 HydrophobicContact CD2-CB 4.44Å; W28-C88 HydrophobicContact CE3-CB 4.31Å; W28-C88 HydrophobicContact CH2-CB 4.4Å; W28-C88 HydrophobicContact CZ2-CB 4.49Å; W28-C88 HydrophobicContact CZ3-CB 4.3Å
89	A	95.9	Very high	94	Very high	48 Å²	48	73.8 Å²	73.8	40%	0.397	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	142.5	177.6	0	0	0	0	0	110.1	H27	H27-A89 PolarHBondContact N-O 2.53Å; H27-A89 PolarHBondContact O-N 3.25Å
90	R	94.1	Very high	94.1	Very high	126 Å²	126	74.5 Å²	74.5	48%	0.475	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	131.2	170	-168.6	-172.8	72.7	-177.3	-2	108.9	Y19 Y24	Y19-R90 VanDerWaalsContact CE2-CD 3.41Å; Y19-R90 HydrophobicContact CE2-CG 3.98Å; Y24-R90 VanDerWaalsContact CB-CG 3.46Å; Y24-R90 HydrophobicContact CD1-CG 3.72Å; Y24-R90 HydrophobicContact CD2-CG 4.29Å; Y24-R90 HydrophobicContact CG-CG 3.57Å
91	G	87.6	Confident	94.4	Very high	80 Å²	80	71.3 Å²	71.3	83%	0.825	42%	0.417	S	S	*	.			trans	-73.4	0	169.7	0	0	0	0	0	113.7	Y24 W25	Y24-G91 VanDerWaalsContact CD1-O 3.26Å; Y24-G91 WeakPolarHBondContact CD1-O 3.24Å; W25-G91 PolarHBondContact O-N 3.01Å

Retrieved 91 of 91 residues in 30 ms (Link to these results)

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