X5J5H2_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5H2, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 91 aa.

						>X5J5H2_MOUSE|X5J5H2
TELVKPGASVKLSCKASGYTFTSYWMHWVKQRPRQGLEWIGNINPSNGGTNYNEKFKSKATLTVDKSSSTAYMQLSSLTSEDSAVYYCAPE
					

Structure Viewer

Loading PAE data...

(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	T	68.1	Low	87.8	Confident	188 Å²	188	101.8 Å²	101.8	100%	1.153	58%	0.583	S	S	*	*				0	125.9	0	-49.3	0	0	0	0	108.2
2	E	78.6	Confident	88.6	Confident	122 Å²	122	96.4 Å²	96.4	57%	0.57	55%	0.55	S	S	*	*			trans	-104.6	126.1	177.8	-163.9	172.4	170.8	0	0	108.8	V4 V10	E2-V4 HydrophobicContact CG-CG1 4.11Å; E2-V10 HydrophobicContact CG-CG2 4.42Å; E2-V10 VanDerWaalsContact OE1-CG2 3.27Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.46Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.31Å
3	L	84.3	Confident	89.3	Confident	167 Å²	167	95.5 Å²	95.5	87%	0.874	55%	0.554	S	S	*	*			trans	-107.7	117.5	178.9	-71.7	169.3	0	0	0	108.2
4	V	87.8	Confident	89.9	Confident	63 Å²	63	89.6 Å²	89.6	38%	0.382	52%	0.52	S	S	.	.			trans	-124.2	149.3	-176.1	-65.3	0	0	0	0	110.2	E2 A8 L78	E2-V4 HydrophobicContact CG-CG1 4.11Å; V4-A8 HydrophobicContact CB-CB 4.41Å; V4-L78 HydrophobicContact CB-CD1 4.46Å; V4-L78 HydrophobicContact CG2-CD1 3.5Å; V4-L78 VanDerWaalsContact CG2-CD1 3.5Å
5	K	87.3	Confident	90.4	Very high	174 Å²	174	94.1 Å²	94.1	76%	0.757	53%	0.531	S	S	*	.			trans	-69.7	146.8	175.7	-65.5	-179.4	-178.8	178.6	0	109.8	G7 A8	K5-G7 PolarHBondContact O-N 3.16Å; K5-A8 WeakPolarHBondContact O-CB 3.33Å; K5-A8 PolarHBondContact O-N 3.19Å; K5-A8 VanDerWaalsContact O-N 3.09Å
6	P	88.7	Confident	90.8	Very high	119 Å²	119	88.9 Å²	88.9	77%	0.773	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	141	169.7	-25.3	34.4	0	0	0	111.4	A8	P6-A8 PolarHBondContact O-N 3.15Å
7	G	90.3	Very high	91	Very high	54 Å²	54	89.5 Å²	89.5	56%	0.557	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-10	-176.5	0	0	0	0	0	115	K5 L78	K5-G7 PolarHBondContact O-N 3.16Å; G7-L78 PolarHBondContact N-O 3.04Å
8	A	93.9	Very high	91.2	Very high	35 Å²	35	89.6 Å²	89.6	29%	0.289	54%	0.538	S	S	.	.			trans	-70.9	167.8	174.1	0	0	0	0	0	111.8	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.41Å; K5-A8 WeakPolarHBondContact O-CB 3.33Å; K5-A8 PolarHBondContact O-N 3.19Å; K5-A8 VanDerWaalsContact O-N 3.09Å; P6-A8 PolarHBondContact O-N 3.15Å; A8-S77 PolarHBondContact O-N 2.93Å; A8-L78 WeakPolarHBondContact O-CB 2.93Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.23Å; A8-L78 PolarHBondContact O-N 2.79Å
9	S	95	Very high	91.3	Very high	63 Å²	63	88.6 Å²	88.6	44%	0.441	53%	0.525	S	S	.	.			trans	-109.4	149.3	169.2	-57.9	0	0	0	0	110.2	L75 S76	S9-L75 CarbonylContact C-O 3.55Å; S9-L75 WeakPolarHBondContact CA-O 3.4Å; S9-L75 VanDerWaalsContact CB-O 3.31Å; S9-L75 WeakPolarHBondContact CB-O 3.4Å; S9-S76 WeakPolarHBondContact OG-CA 3.41Å; S9-S76 WeakPolarHBondContact OG-CB 3.49Å; S9-S76 PolarHBondContact OG-OG 3.38Å
10	V	95.6	Very high	91.5	Very high	16 Å²	16	88.6 Å²	88.6	10%	0.097	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.9	174.1	69.5	0	0	0	0	109.9	E2 L12 Q74 L75 L78	E2-V10 HydrophobicContact CG-CG2 4.42Å; E2-V10 VanDerWaalsContact OE1-CG2 3.27Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.46Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.31Å; V10-L12 HydrophobicContact CG2-CD2 4.21Å; V10-Q74 CarbonylContact O-C 3.44Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.36Å; V10-L75 HydrophobicContact CG1-CB 4.02Å; V10-L75 HydrophobicContact CG1-CD1 4.33Å; V10-L75 PolarHBondContact N-O 2.81Å; V10-L75 PolarHBondContact O-N 2.94Å; V10-L78 HydrophobicContact CB-CD1 3.99Å; V10-L78 HydrophobicContact CG1-CD1 3.72Å
11	K	96.8	Very high	91.7	Very high	119 Å²	119	84.8 Å²	84.8	52%	0.517	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	109.8	174.1	-174	178	179.8	-179.4	0	109.7	Y72	K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 VanDerWaalsContact CE-CD1 3.41Å; K11-Y72 HydrophobicContact CG-CD1 4.36Å
12	L	97.3	Very high	93.1	Very high	37 Å²	37	78.7 Å²	78.7	19%	0.194	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	143.8	175.2	-57.1	176.5	0	0	0	109.7	V10 W28 Y72 M73 Y86	V10-L12 HydrophobicContact CG2-CD2 4.21Å; L12-W28 HydrophobicContact CB-CH2 4.13Å; L12-W28 HydrophobicContact CB-CZ3 3.97Å; L12-Y72 CarbonylContact O-C 3.57Å; L12-Y72 WeakPolarHBondContact O-CA 3.44Å; L12-M73 HydrophobicContact CD1-CE 3.67Å; L12-M73 PolarHBondContact N-O 2.96Å; L12-M73 PolarHBondContact O-N 3.39Å; L12-Y86 HydrophobicContact CD1-CD1 4.26Å; L12-Y86 HydrophobicContact CD1-CD2 4.13Å; L12-Y86 HydrophobicContact CD1-CG 3.76Å
13	S	97.8	Very high	93.9	Very high	85 Å²	85	76.6 Å²	76.6	59%	0.594	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	146.7	176.4	62.7	0	0	0	0	111	A71 Y72	S13-A71 CarbonylContact C-O 3.53Å; S13-Y72 VanDerWaalsContact CB-CE1 3.48Å
14	C	97.8	Very high	94.5	Very high	12 Å²	12	74 Å²	74	8%	0.081	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	105.3	177.7	-179.1	0	0	0	0	109.3	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.67Å; C14-W28 HydrophobicContact CB-CZ2 3.81Å; C14-T70 CarbonylContact O-C 3.57Å; C14-T70 WeakPolarHBondContact O-CA 3.34Å; C14-A71 HydrophobicContact CB-CB 4.48Å; C14-A71 PolarHBondContact N-O 3.07Å; C14-A71 PolarHBondContact O-N 3.16Å; C14-C88 HydrophobicContact CB-CB 3.52Å; C14-C88 WeakPolarHBondContact CB-SG 3.3Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.21Å
15	K	97.5	Very high	95	Very high	157 Å²	157	74.2 Å²	74.2	68%	0.683	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	121.6	179.4	-172.1	173.6	-176	178.5	0	110
16	A	95.8	Very high	95.5	Very high	11 Å²	11	66 Å²	66	9%	0.091	40%	0.402	C	S	.	.			trans	-74.5	146.1	175.2	0	0	0	0	0	111.2	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 4.01Å; A16-Y19 HydrophobicContact CB-CE2 4.14Å; A16-Y19 WeakPolarHBondContact CB-OH 3.44Å; A16-F21 HydrophobicContact CB-CB 4.12Å; A16-F21 HydrophobicContact CB-CD2 3.36Å; A16-F21 HydrophobicContact CB-CE2 4.06Å; A16-F21 HydrophobicContact CB-CG 4.04Å; A16-S69 PolarHBondContact N-O 2.99Å
17	S	94.5	Very high	95.9	Very high	100 Å²	100	62.5 Å²	62.5	70%	0.699	38%	0.375	S	S	*	.			trans	-151.9	149	174.1	65.1	0	0	0	0	109.9	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.44Å
18	G	94.4	Very high	96.3	Very high	91 Å²	91	60.2 Å²	60.2	94%	0.938	35%	0.349	S	S	*	.	S	Bend	trans	82.7	4	177.4	0	0	0	0	0	115.9
19	Y	92.9	Very high	96.5	Very high	71 Å²	71	60 Å²	60	28%	0.278	34%	0.344	S	S	.	.	S	Bend	trans	-155.7	166.7	176	63.3	-84.9	0	0	0	111.7	A16 S17 F21 Y24 M26 P90	A16-Y19 HydrophobicContact CB-CE1 4.01Å; A16-Y19 HydrophobicContact CB-CE2 4.14Å; A16-Y19 WeakPolarHBondContact CB-OH 3.44Å; S17-Y19 WeakPolarHBondContact O-CD1 3.44Å; Y19-F21 PolarHBondContact O-N 2.74Å; Y19-F21 VanDerWaalsContact O-N 3.15Å; Y19-Y24 AromaticContact CD2-CD2 3.62Å; Y19-Y24 HydrophobicContact CD2-CD2 3.62Å; Y19-Y24 HydrophobicContact CD2-CE2 4.13Å; Y19-Y24 HydrophobicContact CE2-CD2 4.08Å; Y19-Y24 HydrophobicContact CG-CD2 4.48Å; Y19-M26 VanDerWaalsContact OH-CE 3.31Å; Y19-M26 WeakPolarHBondContact OH-CE 3.48Å; Y19-P90 HydrophobicContact CE1-CB 4.4Å; Y19-P90 HydrophobicContact CE1-CG 4.08Å; Y19-P90 HydrophobicContact CE2-CB 4.06Å
20	T	96.1	Very high	96.6	Very high	88 Å²	88	57 Å²	57	54%	0.54	32%	0.323	S	S	.	.			trans	-70.9	105.5	173.5	-58.2	0	0	0	0	109.8	T22 S23	T20-T22 PolarHBondContact O-N 2.78Å; T20-T22 VanDerWaalsContact O-N 3.09Å; T20-S23 WeakPolarHBondContact CB-OG 3.13Å; T20-S23 WeakPolarHBondContact CG2-OG 3.27Å; T20-S23 WeakPolarHBondContact O-CB 3.45Å; T20-S23 PolarHBondContact O-N 2.92Å
21	F	96.1	Very high	96.6	Very high	9 Å²	9	59.6 Å²	59.6	4%	0.039	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-52.4	-36	-174	177.4	-126.6	0	0	0	114.1	A16 Y19 S23 M26 P45 V64 A71	A16-F21 HydrophobicContact CB-CB 4.12Å; A16-F21 HydrophobicContact CB-CD2 3.36Å; A16-F21 HydrophobicContact CB-CE2 4.06Å; A16-F21 HydrophobicContact CB-CG 4.04Å; Y19-F21 PolarHBondContact O-N 2.74Å; Y19-F21 VanDerWaalsContact O-N 3.15Å; F21-S23 VanDerWaalsContact C-N 3.27Å; F21-S23 PolarHBondContact O-N 3.28Å; F21-M26 HydrophobicContact CD2-CE 4.46Å; F21-M26 HydrophobicContact CE2-CE 3.96Å; F21-P45 HydrophobicContact CD1-CB 3.82Å; F21-P45 HydrophobicContact CD2-CB 4.29Å; F21-P45 HydrophobicContact CD2-CG 4.15Å; F21-P45 HydrophobicContact CE1-CB 3.54Å; F21-P45 HydrophobicContact CE1-CG 4.22Å; F21-P45 HydrophobicContact CE2-CB 4.04Å; F21-P45 HydrophobicContact CE2-CG 3.79Å; F21-P45 HydrophobicContact CG-CB 4.22Å; F21-P45 HydrophobicContact CZ-CB 3.66Å; F21-P45 HydrophobicContact CZ-CG 3.83Å; F21-P45 WeakPolarHBondContact O-CG 3.22Å; F21-V64 HydrophobicContact CE1-CB 4.38Å; F21-V64 HydrophobicContact CE1-CG1 4.47Å; F21-V64 HydrophobicContact CZ-CB 4.39Å; F21-V64 HydrophobicContact CZ-CG1 4.06Å; F21-A71 HydrophobicContact CE2-CB 4.34Å; F21-A71 HydrophobicContact CZ-CB 4.1Å
22	T	96.9	Very high	96.4	Very high	60 Å²	60	56.1 Å²	56.1	37%	0.368	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-78.4	-5.3	-179.2	54.3	0	0	0	0	114.6	T20	T20-T22 PolarHBondContact O-N 2.78Å; T20-T22 VanDerWaalsContact O-N 3.09Å
23	S	96.1	Very high	95.9	Very high	78 Å²	78	59.7 Å²	59.7	55%	0.545	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-87.3	-15	-176.9	-63.7	0	0	0	0	114.1	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.13Å; T20-S23 WeakPolarHBondContact CG2-OG 3.27Å; T20-S23 WeakPolarHBondContact O-CB 3.45Å; T20-S23 PolarHBondContact O-N 2.92Å; F21-S23 VanDerWaalsContact C-N 3.27Å; F21-S23 PolarHBondContact O-N 3.28Å
24	Y	95.6	Very high	95.4	Very high	111 Å²	111	68.1 Å²	68.1	44%	0.435	36%	0.362	S	S	.	.	S	Bend	trans	-131.3	145.9	-173.7	-62.4	-89.5	0	0	0	111	Y19 P45 P90 E91	Y19-Y24 AromaticContact CD2-CD2 3.62Å; Y19-Y24 HydrophobicContact CD2-CD2 3.62Å; Y19-Y24 HydrophobicContact CD2-CE2 4.13Å; Y19-Y24 HydrophobicContact CE2-CD2 4.08Å; Y19-Y24 HydrophobicContact CG-CD2 4.48Å; Y24-P45 WeakPolarHBondContact O-CD 3.13Å; Y24-P45 WeakPolarHBondContact O-CG 3.13Å; Y24-P90 HydrophobicContact CG-CB 4.36Å; Y24-E91 WeakPolarHBondContact CD1-O 3.12Å
25	W	97.9	Very high	94.7	Very high	69 Å²	69	73.5 Å²	73.5	26%	0.261	39%	0.386	S	S	.	.			trans	-67.1	140.9	167.6	-71.1	75.8	0	0	0	109.6	N42 N44 G49 N51 P90 E91	W25-N42 HydrophobicContact CB-CB 4.49Å; W25-N42 HydrophobicContact CE3-CB 4.07Å; W25-N42 WeakPolarHBondContact CZ3-OD1 3.22Å; W25-N44 HydrophobicContact CD2-CB 3.72Å; W25-N44 HydrophobicContact CE3-CB 3.78Å; W25-N44 HydrophobicContact CG-CB 4.45Å; W25-N44 HydrophobicContact CH2-CB 3.87Å; W25-N44 HydrophobicContact CZ2-CB 3.79Å; W25-N44 HydrophobicContact CZ3-CB 3.85Å; W25-G49 WeakPolarHBondContact CZ3-O 3.3Å; W25-N51 WeakPolarHBondContact CH2-ND2 3.38Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.47Å; W25-P90 CarbonylContact O-C 3.56Å; W25-P90 WeakPolarHBondContact O-CA 3.29Å; W25-E91 HydrophobicContact CB-CB 4.41Å; W25-E91 PolarHBondContact O-N 2.67Å
26	M	98.1	Very high	94.4	Very high	2 Å²	2	67.9 Å²	67.9	1%	0.01	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	115.2	172.2	-177.1	63.6	68.4	0	0	109.1	Y19 F21 N42 I43 A71 C88 A89	Y19-M26 VanDerWaalsContact OH-CE 3.31Å; Y19-M26 WeakPolarHBondContact OH-CE 3.48Å; F21-M26 HydrophobicContact CD2-CE 4.46Å; F21-M26 HydrophobicContact CE2-CE 3.96Å; M26-N42 CarbonylContact O-C 3.5Å; M26-N42 WeakPolarHBondContact O-CA 3.22Å; M26-N42 WeakPolarHBondContact O-CB 2.93Å; M26-I43 HydrophobicContact CB-CG2 4.03Å; M26-I43 PolarHBondContact N-O 3.18Å; M26-I43 PolarHBondContact O-N 3.09Å; M26-A71 HydrophobicContact CB-CB 4.15Å; M26-A71 HydrophobicContact CG-CB 3.67Å; M26-C88 HydrophobicContact SD-CB 3.85Å; M26-A89 VanDerWaalsContact SD-C 3.56Å
27	H	98.3	Very high	94.3	Very high	45 Å²	45	73 Å²	73	21%	0.208	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	143.3	178.1	-72.2	-112.3	0	0	0	110.9	W39 N42 C88 A89	H27-W39 AromaticContact ND1-CD1 3.83Å; H27-W39 AromaticContact ND1-NE1 3.17Å; H27-W39 PolarHBondContact ND1-NE1 2.78Å; H27-W39 VanDerWaalsContact ND1-NE1 3.17Å; H27-N42 PolarHBondContact CE1-ND2 3.47Å; H27-N42 PolarHBondContact NE2-ND2 2.86Å; H27-C88 WeakPolarHBondContact O-CA 3.38Å; H27-A89 PolarHBondContact N-O 3.47Å; H27-A89 PolarHBondContact O-N 2.91Å; H27-A89 VanDerWaalsContact O-N 3.1Å
28	W	98.4	Very high	94.4	Very high	5 Å²	5	69.8 Å²	69.8	2%	0.019	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.4	172.7	-69.8	89.5	0	0	0	110.4	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.13Å; L12-W28 HydrophobicContact CB-CZ3 3.97Å; C14-W28 HydrophobicContact CB-CH2 3.67Å; C14-W28 HydrophobicContact CB-CZ2 3.81Å; W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.34Å; W28-I40 WeakPolarHBondContact O-CB 3Å; W28-I40 PolarHBondContact O-N 3.43Å; W28-G41 PolarHBondContact N-O 2.76Å; W28-L62 HydrophobicContact CG-CD2 4.11Å; W28-A71 HydrophobicContact CZ2-CB 4.24Å; W28-M73 HydrophobicContact CB-CE 4.47Å; W28-M73 HydrophobicContact CB-SD 3.89Å; W28-M73 HydrophobicContact CD2-CB 3.72Å; W28-M73 HydrophobicContact CD2-CE 4.15Å; W28-M73 HydrophobicContact CD2-CG 4.49Å; W28-M73 HydrophobicContact CD2-SD 4.05Å; W28-M73 HydrophobicContact CE3-CB 3.88Å; W28-M73 HydrophobicContact CE3-CE 3.57Å; W28-M73 HydrophobicContact CE3-SD 4.1Å; W28-M73 HydrophobicContact CG-CB 4.31Å; W28-M73 HydrophobicContact CG-SD 3.99Å; W28-M73 HydrophobicContact CH2-CB 4Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.01Å; W28-M73 HydrophobicContact CZ3-CE 4.14Å; W28-Y87 WeakPolarHBondContact CA-O 3.39Å; W28-C88 HydrophobicContact CD2-CB 4.27Å; W28-C88 HydrophobicContact CE3-CB 4.09Å; W28-C88 HydrophobicContact CH2-CB 4.27Å; W28-C88 HydrophobicContact CZ2-CB 4.41Å; W28-C88 HydrophobicContact CZ3-CB 4.1Å
29	V	97.8	Very high	94.5	Very high	31 Å²	31	69.5 Å²	69.5	19%	0.188	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	136.2	-174.7	-174	0	0	0	0	109.9	L37 E38 Y86 Y87	V29-L37 HydrophobicContact CG1-CB 3.76Å; V29-L37 HydrophobicContact CG1-CD2 3.78Å; V29-L37 HydrophobicContact CG1-CG 4.24Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-E38 WeakPolarHBondContact CG1-O 3.2Å; V29-Y86 WeakPolarHBondContact O-CA 3.35Å; V29-Y87 PolarHBondContact N-O 2.8Å; V29-Y87 PolarHBondContact O-N 2.9Å
30	K	96.4	Very high	94.7	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	132.1	172.6	-176.3	-179.8	-175.4	177.1	0	109.2	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 2.83Å; K30-E38 PolarHBondContact O-N 3.48Å; K30-I40 HydrophobicContact CB-CD1 4.01Å; K30-I40 HydrophobicContact CB-CG1 4.16Å; K30-F56 HydrophobicContact CD-CE1 3.94Å; K30-F56 HydrophobicContact CD-CZ 4.02Å; K30-E81 WeakPolarHBondContact CE-O 3.34Å; K30-E81 PolarHBondContact NZ-O 3.29Å; K30-D82 IonicContact NZ-OD1 3.79Å; K30-D82 PolarHBondContact NZ-OD1 2.92Å; K30-A84 HydrophobicContact CD-CB 4.17Å; K30-A84 HydrophobicContact CG-CB 3.49Å; K30-A84 VanDerWaalsContact CG-CB 3.49Å; K30-Y86 HydrophobicContact CB-CD1 4.19Å; K30-Y86 HydrophobicContact CB-CE1 3.93Å; K30-Y86 HydrophobicContact CD-CE1 4.12Å; K30-Y86 HydrophobicContact CG-CD1 4.36Å; K30-Y86 HydrophobicContact CG-CE1 3.82Å
31	Q	95.9	Very high	94.9	Very high	70 Å²	70	62 Å²	62	33%	0.327	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118	173	-168.9	-178.7	41.1	0	0	110.2	G36 L37 A84 V85 Y87	Q31-G36 WeakPolarHBondContact CA-O 3.46Å; Q31-L37 HydrophobicContact CB-CD2 3.69Å; Q31-L37 HydrophobicContact CG-CD2 3.76Å; Q31-A84 WeakPolarHBondContact O-CB 3.3Å; Q31-V85 HydrophobicContact CB-CB 4.46Å; Q31-V85 PolarHBondContact N-O 2.59Å; Q31-V85 PolarHBondContact O-N 2.94Å; Q31-Y87 HydrophobicContact CB-CD2 4.19Å; Q31-Y87 HydrophobicContact CB-CE2 3.63Å; Q31-Y87 HydrophobicContact CG-CE2 4.37Å; Q31-Y87 PolarHBondContact OE1-OH 3.44Å
32	R	92.6	Very high	95	Very high	46 Å²	46	62.2 Å²	62.2	17%	0.174	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	143.6	172.1	-77.7	178.2	-178.3	155.1	4.2	110.2	R34 Q35 G36 E38 E81 A84	R32-R34 PolarHBondContact O-N 2.82Å; R32-R34 VanDerWaalsContact O-N 3.16Å; R32-Q35 HydrophobicContact CB-CB 3.8Å; R32-Q35 PolarHBondContact O-N 2.99Å; R32-G36 PolarHBondContact N-O 2.68Å; R32-E38 IonicContact CZ-OE1 2.68Å; R32-E38 IonicContact NH1-OE1 3.47Å; R32-E81 PolarHBondContact NE-O 3.32Å; R32-E81 PolarHBondContact NH2-O 3.13Å; R32-A84 HydrophobicContact CG-CB 3.96Å
33	P	86.9	Confident	95	Very high	113 Å²	113	59.5 Å²	59.5	73%	0.734	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	125.3	170.3	-23.2	33.1	0	0	0	109.7	Q35	P33-Q35 PolarHBondContact O-N 2.94Å; P33-Q35 VanDerWaalsContact O-N 3.15Å
34	R	87.1	Confident	95.1	Very high	261 Å²	261	56.8 Å²	56.8	99%	0.985	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	-7.4	178.8	-51	176.4	169.8	156.5	-3.3	117.6	R32	R32-R34 PolarHBondContact O-N 2.82Å; R32-R34 VanDerWaalsContact O-N 3.16Å
35	Q	84.2	Confident	95.2	Very high	125 Å²	125	51.5 Å²	51.5	58%	0.584	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104	-1.2	-179.4	-90.6	176.5	1.6	0	0	114.1	R32 P33	R32-Q35 HydrophobicContact CB-CB 3.8Å; R32-Q35 PolarHBondContact O-N 2.99Å; P33-Q35 PolarHBondContact O-N 2.94Å; P33-Q35 VanDerWaalsContact O-N 3.15Å
36	G	89.6	Confident	95.2	Very high	40 Å²	40	50.7 Å²	50.7	41%	0.412	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	78.2	-160.1	177.2	0	0	0	0	0	113.2	Q31 R32	Q31-G36 WeakPolarHBondContact CA-O 3.46Å; R32-G36 PolarHBondContact N-O 2.68Å
37	L	94.3	Very high	95.1	Very high	117 Å²	117	55.9 Å²	55.9	61%	0.613	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	127.1	179	-65.9	175.3	0	0	0	110.1	V29 Q31	V29-L37 HydrophobicContact CG1-CB 3.76Å; V29-L37 HydrophobicContact CG1-CD2 3.78Å; V29-L37 HydrophobicContact CG1-CG 4.24Å; Q31-L37 HydrophobicContact CB-CD2 3.69Å; Q31-L37 HydrophobicContact CG-CD2 3.76Å
38	E	96.2	Very high	95.1	Very high	33 Å²	33	55.4 Å²	55.4	15%	0.154	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	116.6	172.9	-64.4	-173.1	-91.6	0	0	109.4	V29 K30 R32 I40 K55 F56	V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-E38 WeakPolarHBondContact CG1-O 3.2Å; K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 2.83Å; K30-E38 PolarHBondContact O-N 3.48Å; R32-E38 IonicContact CZ-OE1 2.68Å; R32-E38 IonicContact NH1-OE1 3.47Å; E38-I40 PolarHBondContact O-N 3.25Å; E38-K55 IonicContact OE2-NZ 3.5Å; E38-K55 PolarHBondContact OE2-NZ 3.14Å; E38-F56 HydrophobicContact CB-CE2 4.36Å; E38-F56 HydrophobicContact CB-CZ 4.31Å
39	W	97.3	Very high	95.1	Very high	86 Å²	86	56.5 Å²	56.5	33%	0.326	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	128.6	174.6	-179.2	75.1	0	0	0	110.5	H27 G41 N42 N51 N53	H27-W39 AromaticContact ND1-CD1 3.83Å; H27-W39 AromaticContact ND1-NE1 3.17Å; H27-W39 PolarHBondContact ND1-NE1 2.78Å; H27-W39 VanDerWaalsContact ND1-NE1 3.17Å; W39-G41 PolarHBondContact NE1-O 2.93Å; W39-N42 HydrophobicContact CZ2-CB 4.15Å; W39-N51 HydrophobicContact CH2-CB 4.06Å; W39-N53 HydrophobicContact CE3-CB 3.8Å; W39-N53 HydrophobicContact CZ3-CB 3.99Å; W39-N53 VanDerWaalsContact O-CB 3.22Å; W39-N53 WeakPolarHBondContact O-CB 3.42Å; W39-N53 PolarHBondContact O-ND2 3.19Å
40	I	98.1	Very high	95.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-47.4	-177.5	-61.3	172.8	0	0	0	110.4	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.34Å; W28-I40 WeakPolarHBondContact O-CB 3Å; W28-I40 PolarHBondContact O-N 3.43Å; K30-I40 HydrophobicContact CB-CD1 4.01Å; K30-I40 HydrophobicContact CB-CG1 4.16Å; E38-I40 PolarHBondContact O-N 3.25Å; I40-N53 PolarHBondContact O-N 2.88Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.3Å; I40-F56 HydrophobicContact CG1-CD1 4.28Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.3Å; I40-F56 HydrophobicContact CG1-CE2 4.25Å; I40-F56 HydrophobicContact CG1-CG 4.26Å; I40-F56 HydrophobicContact CG1-CZ 4.28Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 4.31Å; I40-F56 HydrophobicContact CG2-CD2 4.37Å; I40-F56 HydrophobicContact CG2-CG 3.9Å; I40-A60 HydrophobicContact CG2-CB 3.86Å; I40-M73 HydrophobicContact CB-SD 4.48Å; I40-M73 HydrophobicContact CD1-CE 3.69Å; I40-M73 HydrophobicContact CD1-SD 3.65Å; I40-M73 HydrophobicContact CG2-SD 3.83Å; I40-Y86 HydrophobicContact CD1-CD1 3.73Å; I40-Y86 HydrophobicContact CD1-CE1 3.75Å
41	G	98.3	Very high	95.2	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.6	176.3	-171.2	0	0	0	0	0	111.6	W28 W39 N51	W28-G41 PolarHBondContact N-O 2.76Å; W39-G41 PolarHBondContact NE1-O 2.93Å; G41-N51 CarbonylContact C-O 3.56Å; G41-N51 WeakPolarHBondContact CA-O 3.25Å
42	N	98.4	Very high	95.3	Very high	15 Å²	15	60.5 Å²	60.5	8%	0.08	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	159.1	170.4	64.2	19.1	0	0	0	111.5	W25 M26 H27 W39 T50 N51 L62	W25-N42 HydrophobicContact CB-CB 4.49Å; W25-N42 HydrophobicContact CE3-CB 4.07Å; W25-N42 WeakPolarHBondContact CZ3-OD1 3.22Å; M26-N42 CarbonylContact O-C 3.5Å; M26-N42 WeakPolarHBondContact O-CA 3.22Å; M26-N42 WeakPolarHBondContact O-CB 2.93Å; H27-N42 PolarHBondContact CE1-ND2 3.47Å; H27-N42 PolarHBondContact NE2-ND2 2.86Å; W39-N42 HydrophobicContact CZ2-CB 4.15Å; N42-T50 VanDerWaalsContact O-CA 3.3Å; N42-T50 WeakPolarHBondContact O-CA 2.96Å; N42-N51 PolarHBondContact N-O 3.15Å; N42-N51 PolarHBondContact O-N 3.23Å; N42-N51 WeakPolarHBondContact OD1-CB 3.39Å; N42-N51 PolarHBondContact OD1-ND2 2.92Å; N42-L62 WeakPolarHBondContact O-CD1 3.41Å
43	I	98.6	Very high	95.5	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.015	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.6	175.5	-175.2	158.3	0	0	0	109.5	M26 P45 G49 T50 L62 V64 A71	M26-I43 HydrophobicContact CB-CG2 4.03Å; M26-I43 PolarHBondContact N-O 3.18Å; M26-I43 PolarHBondContact O-N 3.09Å; I43-P45 VanDerWaalsContact O-CD 3.23Å; I43-P45 WeakPolarHBondContact O-CD 3.39Å; I43-G49 CarbonylContact C-O 3.55Å; I43-G49 WeakPolarHBondContact CA-O 3.31Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.67Å; I43-T50 HydrophobicContact CG1-CG2 3.74Å; I43-L62 HydrophobicContact CB-CB 4.06Å; I43-L62 HydrophobicContact CB-CD1 4.3Å; I43-L62 HydrophobicContact CD1-CB 4.05Å; I43-L62 HydrophobicContact CG2-CB 4.37Å; I43-V64 HydrophobicContact CB-CG1 4.49Å; I43-V64 HydrophobicContact CD1-CG1 3.77Å; I43-V64 HydrophobicContact CD1-CG2 4.32Å; I43-V64 HydrophobicContact CG1-CG1 3.88Å; I43-V64 HydrophobicContact CG2-CG1 3.79Å; I43-A71 HydrophobicContact CG2-CB 4.48Å
44	N	98.2	Very high	95.9	Very high	20 Å²	20	61.4 Å²	61.4	11%	0.107	32%	0.319	C	S	.	.			trans	-81.7	111.4	172	-175.6	-27.2	0	0	0	108.8	W25 S46 N47 G48 G49	W25-N44 HydrophobicContact CD2-CB 3.72Å; W25-N44 HydrophobicContact CE3-CB 3.78Å; W25-N44 HydrophobicContact CG-CB 4.45Å; W25-N44 HydrophobicContact CH2-CB 3.87Å; W25-N44 HydrophobicContact CZ2-CB 3.79Å; W25-N44 HydrophobicContact CZ3-CB 3.85Å; N44-S46 PolarHBondContact ND2-OG 2.92Å; N44-S46 PolarHBondContact O-N 3.1Å; N44-S46 VanDerWaalsContact OD1-CB 3.3Å; N44-S46 WeakPolarHBondContact OD1-CB 3.34Å; N44-S46 PolarHBondContact OD1-N 3.32Å; N44-S46 PolarHBondContact OD1-OG 3.07Å; N44-N47 WeakPolarHBondContact CB-OD1 3.46Å; N44-N47 PolarHBondContact O-N 3.41Å; N44-G48 VanDerWaalsContact O-CA 3.29Å; N44-G48 WeakPolarHBondContact O-CA 3.31Å; N44-G48 PolarHBondContact O-N 3.22Å; N44-G49 PolarHBondContact N-O 3.49Å
45	P	97.7	Very high	96.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-15.9	-176.9	-18.3	34.3	0	0	0	113.6	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.82Å; F21-P45 HydrophobicContact CD2-CB 4.29Å; F21-P45 HydrophobicContact CD2-CG 4.15Å; F21-P45 HydrophobicContact CE1-CB 3.54Å; F21-P45 HydrophobicContact CE1-CG 4.22Å; F21-P45 HydrophobicContact CE2-CB 4.04Å; F21-P45 HydrophobicContact CE2-CG 3.79Å; F21-P45 HydrophobicContact CG-CB 4.22Å; F21-P45 HydrophobicContact CZ-CB 3.66Å; F21-P45 HydrophobicContact CZ-CG 3.83Å; F21-P45 WeakPolarHBondContact O-CG 3.22Å; Y24-P45 WeakPolarHBondContact O-CD 3.13Å; Y24-P45 WeakPolarHBondContact O-CG 3.13Å; I43-P45 VanDerWaalsContact O-CD 3.23Å; I43-P45 WeakPolarHBondContact O-CD 3.39Å; P45-V64 HydrophobicContact CB-CG1 4.14Å; P45-V64 HydrophobicContact CG-CG1 4.38Å; P45-K66 WeakPolarHBondContact O-CE 3.17Å
46	S	97.2	Very high	96.8	Very high	52 Å²	52	50.4 Å²	50.4	36%	0.364	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-40.1	177.6	73	0	0	0	0	113	N44 K66	N44-S46 PolarHBondContact ND2-OG 2.92Å; N44-S46 PolarHBondContact O-N 3.1Å; N44-S46 VanDerWaalsContact OD1-CB 3.3Å; N44-S46 WeakPolarHBondContact OD1-CB 3.34Å; N44-S46 PolarHBondContact OD1-N 3.32Å; N44-S46 PolarHBondContact OD1-OG 3.07Å; S46-K66 PolarHBondContact O-NZ 2.84Å
47	N	96.8	Very high	97.1	Very high	112 Å²	112	53.8 Å²	53.8	60%	0.599	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.7	-4.5	-171.7	65.1	17	0	0	0	114.2	N44 G49	N44-N47 WeakPolarHBondContact CB-OD1 3.46Å; N44-N47 PolarHBondContact O-N 3.41Å; N47-G49 VanDerWaalsContact C-N 3.28Å; N47-G49 PolarHBondContact O-N 3.43Å; N47-G49 PolarHBondContact OD1-N 2.9Å
48	G	96.8	Very high	97.1	Very high	34 Å²	34	53.7 Å²	53.7	35%	0.351	29%	0.289	S	S	.	.			trans	77.8	7.2	-179.9	0	0	0	0	0	114.6	N44 T50	N44-G48 VanDerWaalsContact O-CA 3.29Å; N44-G48 WeakPolarHBondContact O-CA 3.31Å; N44-G48 PolarHBondContact O-N 3.22Å; G48-T50 PolarHBondContact O-N 3.17Å
49	G	98.1	Very high	97	Very high	28 Å²	28	54.4 Å²	54.4	29%	0.289	29%	0.292	S	S	.	.			trans	-58.9	136.2	174.8	0	0	0	0	0	111	W25 I43 N44 N47	W25-G49 WeakPolarHBondContact CZ3-O 3.3Å; I43-G49 CarbonylContact C-O 3.55Å; I43-G49 WeakPolarHBondContact CA-O 3.31Å; N44-G49 PolarHBondContact N-O 3.49Å; N47-G49 VanDerWaalsContact C-N 3.28Å; N47-G49 PolarHBondContact O-N 3.43Å; N47-G49 PolarHBondContact OD1-N 2.9Å
50	T	98.3	Very high	97	Very high	55 Å²	55	50.5 Å²	50.5	34%	0.337	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141.8	-177.1	50.3	0	0	0	0	111.3	N42 I43 G48 Y52 L62	N42-T50 VanDerWaalsContact O-CA 3.3Å; N42-T50 WeakPolarHBondContact O-CA 2.96Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.67Å; I43-T50 HydrophobicContact CG1-CG2 3.74Å; G48-T50 PolarHBondContact O-N 3.17Å; T50-Y52 HydrophobicContact CG2-CE2 4.43Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.37Å; T50-L62 HydrophobicContact CG2-CB 4Å
51	N	98.1	Very high	97.1	Very high	78 Å²	78	53.8 Å²	53.8	42%	0.417	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	146.9	165.4	-55.7	-66.3	0	0	0	109.1	W25 W39 G41 N42	W25-N51 WeakPolarHBondContact CH2-ND2 3.38Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.47Å; W39-N51 HydrophobicContact CH2-CB 4.06Å; G41-N51 CarbonylContact C-O 3.56Å; G41-N51 WeakPolarHBondContact CA-O 3.25Å; N42-N51 PolarHBondContact N-O 3.15Å; N42-N51 PolarHBondContact O-N 3.23Å; N42-N51 WeakPolarHBondContact OD1-CB 3.39Å; N42-N51 PolarHBondContact OD1-ND2 2.92Å
52	Y	98.3	Very high	97.1	Very high	52 Å²	52	54.2 Å²	54.2	20%	0.204	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.8	-179.3	-66.3	-89	0	0	0	110.3	T50 K57 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.43Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.37Å; Y52-K57 HydrophobicContact CG-CG 4.42Å; Y52-A60 HydrophobicContact CE1-CB 4.23Å; Y52-A60 WeakPolarHBondContact CE1-O 3.48Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.72Å; Y52-L62 PolarHBondContact OH-N 2.91Å
53	N	97.3	Very high	97.1	Very high	47 Å²	47	56.4 Å²	56.4	25%	0.251	31%	0.314	S	S	.	.			trans	-72.7	133.1	155.6	-177.8	-27.6	0	0	0	108.5	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.8Å; W39-N53 HydrophobicContact CZ3-CB 3.99Å; W39-N53 VanDerWaalsContact O-CB 3.22Å; W39-N53 WeakPolarHBondContact O-CB 3.42Å; W39-N53 PolarHBondContact O-ND2 3.19Å; I40-N53 PolarHBondContact O-N 2.88Å; N53-K55 PolarHBondContact O-N 2.92Å; N53-K55 PolarHBondContact OD1-N 2.89Å; N53-K55 VanDerWaalsContact OD1-N 3.15Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 3.36Å; N53-K57 PolarHBondContact O-N 2.78Å
54	E	96.2	Very high	97	Very high	131 Å²	131	58 Å²	58	61%	0.612	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-31	-176.8	-69.7	-60.5	148.4	0	0	112.9	F56 K57	E54-F56 PolarHBondContact O-N 2.85Å; E54-K57 IonicContact OE1-NZ 2.85Å; E54-K57 PolarHBondContact OE1-NZ 3.23Å; E54-K57 VanDerWaalsContact OE2-CD 3.25Å; E54-K57 WeakPolarHBondContact OE2-CD 3.34Å; E54-K57 IonicContact OE2-NZ 3.36Å; E54-K57 PolarHBondContact OE2-NZ 3.06Å
55	K	93.8	Very high	97	Very high	144 Å²	144	59.6 Å²	59.6	63%	0.626	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-29.7	174.9	-69.8	-178.2	176.9	179.9	0	114.2	E38 N53	E38-K55 IonicContact OE2-NZ 3.5Å; E38-K55 PolarHBondContact OE2-NZ 3.14Å; N53-K55 PolarHBondContact O-N 2.92Å; N53-K55 PolarHBondContact OD1-N 2.89Å; N53-K55 VanDerWaalsContact OD1-N 3.15Å
56	F	95.6	Very high	96.9	Very high	11 Å²	11	65 Å²	65	5%	0.048	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-8.7	-172	-62.3	-81.8	0	0	0	113.4	K30 E38 I40 N53 E54 S58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.94Å; K30-F56 HydrophobicContact CD-CZ 4.02Å; E38-F56 HydrophobicContact CB-CE2 4.36Å; E38-F56 HydrophobicContact CB-CZ 4.31Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.3Å; I40-F56 HydrophobicContact CG1-CD1 4.28Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.3Å; I40-F56 HydrophobicContact CG1-CE2 4.25Å; I40-F56 HydrophobicContact CG1-CG 4.26Å; I40-F56 HydrophobicContact CG1-CZ 4.28Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 4.31Å; I40-F56 HydrophobicContact CG2-CD2 4.37Å; I40-F56 HydrophobicContact CG2-CG 3.9Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 3.36Å; E54-F56 PolarHBondContact O-N 2.85Å; F56-S58 PolarHBondContact O-N 2.01Å; F56-S58 VanDerWaalsContact O-N 3.14Å; F56-K59 PolarHBondContact O-N 2.97Å; F56-A60 HydrophobicContact CB-CB 4.33Å; F56-A60 WeakPolarHBondContact O-CB 3.14Å; F56-A60 PolarHBondContact O-N 2.82Å
57	K	94.8	Very high	96.8	Very high	111 Å²	111	67.8 Å²	67.8	48%	0.483	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-32.6	-174.1	-167.2	176.6	-169.9	172.8	0	114.3	Y52 N53 E54	Y52-K57 HydrophobicContact CG-CG 4.42Å; N53-K57 PolarHBondContact O-N 2.78Å; E54-K57 IonicContact OE1-NZ 2.85Å; E54-K57 PolarHBondContact OE1-NZ 3.23Å; E54-K57 VanDerWaalsContact OE2-CD 3.25Å; E54-K57 WeakPolarHBondContact OE2-CD 3.34Å; E54-K57 IonicContact OE2-NZ 3.36Å; E54-K57 PolarHBondContact OE2-NZ 3.06Å
58	S	94.7	Very high	96.9	Very high	115 Å²	115	64.1 Å²	64.1	80%	0.804	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-15.6	176.7	59.8	0	0	0	0	114.2	F56	F56-S58 PolarHBondContact O-N 2.01Å; F56-S58 VanDerWaalsContact O-N 3.14Å
59	K	95.3	Very high	96.9	Very high	49 Å²	49	64.6 Å²	64.6	21%	0.213	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-34.6	-176.1	-82.9	-165.7	171.4	-171.8	0	113.6	F56 L75 S76 D82	F56-K59 PolarHBondContact O-N 2.97Å; K59-L75 WeakPolarHBondContact O-CA 3.33Å; K59-S76 PolarHBondContact O-N 3.09Å; K59-D82 IonicContact NZ-OD1 3.43Å; K59-D82 PolarHBondContact NZ-OD1 3.46Å; K59-D82 IonicContact NZ-OD2 3.25Å; K59-D82 PolarHBondContact NZ-OD2 3.46Å
60	A	97.6	Very high	96.9	Very high	3 Å²	3	63.7 Å²	63.7	3%	0.025	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	138.2	-172.4	0	0	0	0	0	111.3	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.86Å; Y52-A60 HydrophobicContact CE1-CB 4.23Å; Y52-A60 WeakPolarHBondContact CE1-O 3.48Å; F56-A60 HydrophobicContact CB-CB 4.33Å; F56-A60 WeakPolarHBondContact O-CB 3.14Å; F56-A60 PolarHBondContact O-N 2.82Å; A60-M73 HydrophobicContact CB-CG 4.49Å; A60-M73 HydrophobicContact CB-SD 4.46Å; A60-Q74 CarbonylContact C-O 3.59Å; A60-Q74 WeakPolarHBondContact CA-O 3.42Å; A60-L75 HydrophobicContact CB-CD2 3.89Å
61	T	98.4	Very high	96.9	Very high	69 Å²	69	61 Å²	61	42%	0.423	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	119.7	169.4	-57.6	0	0	0	0	108.7	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.4Å; T61-M73 WeakPolarHBondContact O-CA 3.35Å; T61-Q74 PolarHBondContact N-O 2.8Å; T61-Q74 PolarHBondContact O-N 2.83Å
62	L	98.6	Very high	96.9	Very high	9 Å²	9	59.7 Å²	59.7	5%	0.047	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	133.1	179.2	-52.2	-177.1	0	0	0	110.3	W28 N42 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.11Å; N42-L62 WeakPolarHBondContact O-CD1 3.41Å; I43-L62 HydrophobicContact CB-CB 4.06Å; I43-L62 HydrophobicContact CB-CD1 4.3Å; I43-L62 HydrophobicContact CD1-CB 4.05Å; I43-L62 HydrophobicContact CG2-CB 4.37Å; T50-L62 HydrophobicContact CG2-CB 4Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.72Å; Y52-L62 PolarHBondContact OH-N 2.91Å; L62-Y72 WeakPolarHBondContact CA-O 3.43Å; L62-M73 HydrophobicContact CD2-CB 3.74Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.02Å
63	T	98.4	Very high	96.9	Very high	62 Å²	62	57.2 Å²	57.2	38%	0.38	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	163.1	175.1	57.2	0	0	0	0	110.7	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.4Å; T63-Y72 PolarHBondContact N-O 2.88Å; T63-Y72 PolarHBondContact O-N 3Å
64	V	98	Very high	96.9	Very high	36 Å²	36	59 Å²	59	22%	0.218	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	145.4	176.6	-69.2	0	0	0	0	110.8	F21 I43 P45 A71	F21-V64 HydrophobicContact CE1-CB 4.38Å; F21-V64 HydrophobicContact CE1-CG1 4.47Å; F21-V64 HydrophobicContact CZ-CB 4.39Å; F21-V64 HydrophobicContact CZ-CG1 4.06Å; I43-V64 HydrophobicContact CB-CG1 4.49Å; I43-V64 HydrophobicContact CD1-CG1 3.77Å; I43-V64 HydrophobicContact CD1-CG2 4.32Å; I43-V64 HydrophobicContact CG1-CG1 3.88Å; I43-V64 HydrophobicContact CG2-CG1 3.79Å; P45-V64 HydrophobicContact CB-CG1 4.14Å; P45-V64 HydrophobicContact CG-CG1 4.38Å; V64-A71 HydrophobicContact CG1-CB 4.16Å
65	D	97.5	Very high	97	Very high	54 Å²	54	52.9 Å²	52.9	29%	0.289	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	106.6	164.3	175	6.9	0	0	0	108.3	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.82Å; D65-S67 WeakPolarHBondContact OD1-CB 3.49Å; D65-S67 PolarHBondContact OD1-N 2.86Å; D65-S67 PolarHBondContact OD1-OG 2.96Å; D65-S67 PolarHBondContact OD2-OG 2.88Å; D65-S68 WeakPolarHBondContact CB-OG 3.18Å; D65-S68 PolarHBondContact OD1-N 3.27Å; D65-S68 WeakPolarHBondContact OD2-CB 3.36Å; D65-S68 PolarHBondContact OD2-OG 2.87Å; D65-S69 PolarHBondContact O-N 2.89Å; D65-S69 VanDerWaalsContact O-N 3.13Å; D65-T70 PolarHBondContact N-O 3.15Å; D65-T70 PolarHBondContact O-N 2.99Å; D65-Y72 HydrophobicContact CB-CE2 3.87Å
66	K	95.6	Very high	97.1	Very high	113 Å²	113	47.5 Å²	47.5	49%	0.491	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-31.4	-178.8	-57.3	-175.9	-163.8	-178.4	0	111.8	P45 S46 S68 S69	P45-K66 WeakPolarHBondContact O-CE 3.17Å; S46-K66 PolarHBondContact O-NZ 2.84Å; K66-S68 VanDerWaalsContact C-N 3.34Å; K66-S68 PolarHBondContact O-N 2.94Å; K66-S69 PolarHBondContact O-N 2.82Å
67	S	95.6	Very high	97	Very high	110 Å²	110	50.8 Å²	50.8	77%	0.769	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-37.7	-176.7	73.3	0	0	0	0	111.8	D65	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.82Å; D65-S67 WeakPolarHBondContact OD1-CB 3.49Å; D65-S67 PolarHBondContact OD1-N 2.86Å; D65-S67 PolarHBondContact OD1-OG 2.96Å; D65-S67 PolarHBondContact OD2-OG 2.88Å
68	S	97	Very high	97	Very high	36 Å²	36	46.1 Å²	46.1	25%	0.252	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	2.4	178.1	65	0	0	0	0	113.7	D65 K66 T70	D65-S68 WeakPolarHBondContact CB-OG 3.18Å; D65-S68 PolarHBondContact OD1-N 3.27Å; D65-S68 WeakPolarHBondContact OD2-CB 3.36Å; D65-S68 PolarHBondContact OD2-OG 2.87Å; K66-S68 VanDerWaalsContact C-N 3.34Å; K66-S68 PolarHBondContact O-N 2.94Å; S68-T70 PolarHBondContact O-N 3.35Å; S68-T70 PolarHBondContact O-OG1 2.98Å; S68-T70 WeakPolarHBondContact OG-CB 3.3Å; S68-T70 PolarHBondContact OG-OG1 3.23Å
69	S	97.3	Very high	96.9	Very high	43 Å²	43	43.7 Å²	43.7	30%	0.301	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	42.7	-172.9	-62.4	0	0	0	0	112.8	A16 D65 K66	A16-S69 PolarHBondContact N-O 2.99Å; D65-S69 PolarHBondContact O-N 2.89Å; D65-S69 VanDerWaalsContact O-N 3.13Å; K66-S69 PolarHBondContact O-N 2.82Å
70	T	98.3	Very high	96.7	Very high	9 Å²	9	46.6 Å²	46.6	6%	0.055	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.7	-173.9	-56.1	0	0	0	0	110.8	C14 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.57Å; C14-T70 WeakPolarHBondContact O-CA 3.34Å; D65-T70 PolarHBondContact N-O 3.15Å; D65-T70 PolarHBondContact O-N 2.99Å; S68-T70 PolarHBondContact O-N 3.35Å; S68-T70 PolarHBondContact O-OG1 2.98Å; S68-T70 WeakPolarHBondContact OG-CB 3.3Å; S68-T70 PolarHBondContact OG-OG1 3.23Å; T70-Y72 HydrophobicContact CG2-CD1 4.28Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 3.7Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å
71	A	98.4	Very high	96.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	149.6	166.9	0	0	0	0	0	110	S13 C14 F21 M26 W28 I43 V64	S13-A71 CarbonylContact C-O 3.53Å; C14-A71 HydrophobicContact CB-CB 4.48Å; C14-A71 PolarHBondContact N-O 3.07Å; C14-A71 PolarHBondContact O-N 3.16Å; F21-A71 HydrophobicContact CE2-CB 4.34Å; F21-A71 HydrophobicContact CZ-CB 4.1Å; M26-A71 HydrophobicContact CB-CB 4.15Å; M26-A71 HydrophobicContact CG-CB 3.67Å; W28-A71 HydrophobicContact CZ2-CB 4.24Å; I43-A71 HydrophobicContact CG2-CB 4.48Å; V64-A71 HydrophobicContact CG1-CB 4.16Å
72	Y	98.4	Very high	96	Very high	50 Å²	50	49.7 Å²	49.7	20%	0.196	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	146.1	177.9	-57.3	-87.7	0	0	0	110.9	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 VanDerWaalsContact CE-CD1 3.41Å; K11-Y72 HydrophobicContact CG-CD1 4.36Å; L12-Y72 CarbonylContact O-C 3.57Å; L12-Y72 WeakPolarHBondContact O-CA 3.44Å; S13-Y72 VanDerWaalsContact CB-CE1 3.48Å; L62-Y72 WeakPolarHBondContact CA-O 3.43Å; T63-Y72 PolarHBondContact N-O 2.88Å; T63-Y72 PolarHBondContact O-N 3Å; D65-Y72 HydrophobicContact CB-CE2 3.87Å; T70-Y72 HydrophobicContact CG2-CD1 4.28Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 3.7Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å
73	M	98.3	Very high	95.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	119.5	168	177.5	171.5	68.8	0	0	108.9	L12 W28 I40 A60 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.67Å; L12-M73 PolarHBondContact N-O 2.96Å; L12-M73 PolarHBondContact O-N 3.39Å; W28-M73 HydrophobicContact CB-CE 4.47Å; W28-M73 HydrophobicContact CB-SD 3.89Å; W28-M73 HydrophobicContact CD2-CB 3.72Å; W28-M73 HydrophobicContact CD2-CE 4.15Å; W28-M73 HydrophobicContact CD2-CG 4.49Å; W28-M73 HydrophobicContact CD2-SD 4.05Å; W28-M73 HydrophobicContact CE3-CB 3.88Å; W28-M73 HydrophobicContact CE3-CE 3.57Å; W28-M73 HydrophobicContact CE3-SD 4.1Å; W28-M73 HydrophobicContact CG-CB 4.31Å; W28-M73 HydrophobicContact CG-SD 3.99Å; W28-M73 HydrophobicContact CH2-CB 4Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.01Å; W28-M73 HydrophobicContact CZ3-CE 4.14Å; I40-M73 HydrophobicContact CB-SD 4.48Å; I40-M73 HydrophobicContact CD1-CE 3.69Å; I40-M73 HydrophobicContact CD1-SD 3.65Å; I40-M73 HydrophobicContact CG2-SD 3.83Å; A60-M73 HydrophobicContact CB-CG 4.49Å; A60-M73 HydrophobicContact CB-SD 4.46Å; T61-M73 WeakPolarHBondContact O-CA 3.35Å; L62-M73 HydrophobicContact CD2-CB 3.74Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.02Å; M73-L75 HydrophobicContact CE-CD1 4.12Å; M73-L75 HydrophobicContact CE-CD2 4.42Å; M73-L75 HydrophobicContact CE-CG 4.25Å; M73-L75 HydrophobicContact CG-CD2 4.35Å; M73-L75 HydrophobicContact CG-CG 4.31Å; M73-L75 HydrophobicContact SD-CD2 4.19Å; M73-L75 HydrophobicContact SD-CG 4.48Å; M73-Y86 HydrophobicContact CE-CD1 3.59Å; M73-Y86 HydrophobicContact CE-CE1 4.08Å; M73-Y86 HydrophobicContact CE-CG 4.32Å
74	Q	98.1	Very high	95.5	Very high	83 Å²	83	52.4 Å²	52.4	39%	0.388	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.7	169.9	-177.4	171.6	-11	0	0	109.1	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.44Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.36Å; A60-Q74 CarbonylContact C-O 3.59Å; A60-Q74 WeakPolarHBondContact CA-O 3.42Å; T61-Q74 PolarHBondContact N-O 2.8Å; T61-Q74 PolarHBondContact O-N 2.83Å
75	L	96.8	Very high	95.4	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.016	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	132.2	171.4	-64.5	168.6	0	0	0	108.6	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.55Å; S9-L75 WeakPolarHBondContact CA-O 3.4Å; S9-L75 VanDerWaalsContact CB-O 3.31Å; S9-L75 WeakPolarHBondContact CB-O 3.4Å; V10-L75 HydrophobicContact CG1-CB 4.02Å; V10-L75 HydrophobicContact CG1-CD1 4.33Å; V10-L75 PolarHBondContact N-O 2.81Å; V10-L75 PolarHBondContact O-N 2.94Å; K59-L75 WeakPolarHBondContact O-CA 3.33Å; A60-L75 HydrophobicContact CB-CD2 3.89Å; M73-L75 HydrophobicContact CE-CD1 4.12Å; M73-L75 HydrophobicContact CE-CD2 4.42Å; M73-L75 HydrophobicContact CE-CG 4.25Å; M73-L75 HydrophobicContact CG-CD2 4.35Å; M73-L75 HydrophobicContact CG-CG 4.31Å; M73-L75 HydrophobicContact SD-CD2 4.19Å; M73-L75 HydrophobicContact SD-CG 4.48Å; L75-L78 HydrophobicContact CB-CD2 3.71Å; L75-L78 HydrophobicContact CD1-CD2 4.29Å; L75-Y86 HydrophobicContact CD1-CD1 4.32Å; L75-Y86 HydrophobicContact CD1-CE1 3.58Å; L75-Y86 HydrophobicContact CD1-CE2 4.22Å
76	S	95.6	Very high	95.4	Very high	32 Å²	32	54 Å²	54	22%	0.224	32%	0.319	C	S	.	.			trans	-116	156.5	-178.9	-59.2	0	0	0	0	112.5	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.41Å; S9-S76 WeakPolarHBondContact OG-CB 3.49Å; S9-S76 PolarHBondContact OG-OG 3.38Å; K59-S76 PolarHBondContact O-N 3.09Å; S76-L78 PolarHBondContact O-N 2.81Å
77	S	94.3	Very high	95.5	Very high	80 Å²	80	53.8 Å²	53.8	56%	0.559	32%	0.316	S	S	*	.	S	Bend	trans	54.2	50.2	176.6	-55.3	0	0	0	0	112.4	A8	A8-S77 PolarHBondContact O-N 2.93Å
78	L	94	Very high	95.5	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.063	29%	0.294	C	S	.	.			trans	-63.3	137.4	-173.2	-68.4	170.3	0	0	0	112.2	V4 G7 A8 V10 L75 S76 D82	V4-L78 HydrophobicContact CB-CD1 4.46Å; V4-L78 HydrophobicContact CG2-CD1 3.5Å; V4-L78 VanDerWaalsContact CG2-CD1 3.5Å; G7-L78 PolarHBondContact N-O 3.04Å; A8-L78 WeakPolarHBondContact O-CB 2.93Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.23Å; A8-L78 PolarHBondContact O-N 2.79Å; V10-L78 HydrophobicContact CB-CD1 3.99Å; V10-L78 HydrophobicContact CG1-CD1 3.72Å; L75-L78 HydrophobicContact CB-CD2 3.71Å; L75-L78 HydrophobicContact CD1-CD2 4.29Å; S76-L78 PolarHBondContact O-N 2.81Å; L78-D82 HydrophobicContact CD2-CB 3.66Å
79	T	93.2	Very high	95.5	Very high	64 Å²	64	51.2 Å²	51.2	39%	0.393	30%	0.3	S	S	.	.			trans	-117.4	173.9	173.3	68.1	0	0	0	0	110.9	E81 D82	T79-E81 PolarHBondContact O-N 3.03Å; T79-D82 PolarHBondContact N-OD2 2.6Å; T79-D82 WeakPolarHBondContact O-CB 3.44Å; T79-D82 PolarHBondContact O-N 3.48Å
80	S	90.5	Very high	95.4	Very high	110 Å²	110	51.8 Å²	51.8	77%	0.769	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-56.5	-30.2	174.9	51.4	0	0	0	0	112.7	D82 S83	S80-D82 PolarHBondContact O-N 3.49Å; S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 3.32Å; S80-S83 PolarHBondContact O-N 3.4Å; S80-S83 VanDerWaalsContact O-N 3.16Å
81	E	89.4	Confident	94.9	Very high	126 Å²	126	59.3 Å²	59.3	59%	0.589	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-67	-18.9	175.9	-61.8	-173.8	177.7	0	0	113.4	K30 R32 T79 S83	K30-E81 WeakPolarHBondContact CE-O 3.34Å; K30-E81 PolarHBondContact NZ-O 3.29Å; R32-E81 PolarHBondContact NE-O 3.32Å; R32-E81 PolarHBondContact NH2-O 3.13Å; T79-E81 PolarHBondContact O-N 3.03Å; E81-S83 VanDerWaalsContact C-N 3.29Å
82	D	92.3	Very high	94.7	Very high	12 Å²	12	62.3 Å²	62.3	6%	0.064	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-84.3	-5.1	176.3	-60.5	-45.3	0	0	0	113	K30 K59 L78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.79Å; K30-D82 PolarHBondContact NZ-OD1 2.92Å; K59-D82 IonicContact NZ-OD1 3.43Å; K59-D82 PolarHBondContact NZ-OD1 3.46Å; K59-D82 IonicContact NZ-OD2 3.25Å; K59-D82 PolarHBondContact NZ-OD2 3.46Å; L78-D82 HydrophobicContact CD2-CB 3.66Å; T79-D82 PolarHBondContact N-OD2 2.6Å; T79-D82 WeakPolarHBondContact O-CB 3.44Å; T79-D82 PolarHBondContact O-N 3.48Å; S80-D82 PolarHBondContact O-N 3.49Å; D82-A84 PolarHBondContact O-N 2.62Å; D82-A84 VanDerWaalsContact O-N 3.07Å; D82-Y86 WeakPolarHBondContact O-CE2 3.46Å; D82-Y86 PolarHBondContact O-OH 3.47Å
83	S	92.8	Very high	94.5	Very high	97 Å²	97	62.9 Å²	62.9	68%	0.678	36%	0.363	S	S	*	.			trans	-66.9	109.7	170.9	-164.6	0	0	0	0	110.5	S80 E81	S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 3.32Å; S80-S83 PolarHBondContact O-N 3.4Å; S80-S83 VanDerWaalsContact O-N 3.16Å; E81-S83 VanDerWaalsContact C-N 3.29Å
84	A	94.4	Very high	94.3	Very high	30 Å²	30	66.4 Å²	66.4	25%	0.248	38%	0.383	C	S	.	.	S	Bend	trans	-163.7	170.2	-174.2	0	0	0	0	0	110.5	K30 Q31 R32 D82 Y86	K30-A84 HydrophobicContact CD-CB 4.17Å; K30-A84 HydrophobicContact CG-CB 3.49Å; K30-A84 VanDerWaalsContact CG-CB 3.49Å; Q31-A84 WeakPolarHBondContact O-CB 3.3Å; R32-A84 HydrophobicContact CG-CB 3.96Å; D82-A84 PolarHBondContact O-N 2.62Å; D82-A84 VanDerWaalsContact O-N 3.07Å; A84-Y86 HydrophobicContact CB-CD2 4.48Å; A84-Y86 HydrophobicContact CB-CE2 3.96Å
85	V	95.9	Very high	94.1	Very high	75 Å²	75	65.4 Å²	65.4	46%	0.455	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	135.7	162.8	-173.4	0	0	0	0	108.1	Q31 Y87	Q31-V85 HydrophobicContact CB-CB 4.46Å; Q31-V85 PolarHBondContact N-O 2.59Å; Q31-V85 PolarHBondContact O-N 2.94Å; V85-Y87 HydrophobicContact CB-CE2 3.97Å; V85-Y87 HydrophobicContact CG1-CD2 4.3Å; V85-Y87 HydrophobicContact CG1-CE1 3.93Å; V85-Y87 HydrophobicContact CG1-CE2 3.58Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.33Å
86	Y	96.9	Very high	93.9	Very high	49 Å²	49	69.3 Å²	69.3	19%	0.192	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.8	179.1	-70.2	-90.9	0	0	0	109.5	L12 V29 K30 I40 M73 L75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.26Å; L12-Y86 HydrophobicContact CD1-CD2 4.13Å; L12-Y86 HydrophobicContact CD1-CG 3.76Å; V29-Y86 WeakPolarHBondContact O-CA 3.35Å; K30-Y86 HydrophobicContact CB-CD1 4.19Å; K30-Y86 HydrophobicContact CB-CE1 3.93Å; K30-Y86 HydrophobicContact CD-CE1 4.12Å; K30-Y86 HydrophobicContact CG-CD1 4.36Å; K30-Y86 HydrophobicContact CG-CE1 3.82Å; I40-Y86 HydrophobicContact CD1-CD1 3.73Å; I40-Y86 HydrophobicContact CD1-CE1 3.75Å; M73-Y86 HydrophobicContact CE-CD1 3.59Å; M73-Y86 HydrophobicContact CE-CE1 4.08Å; M73-Y86 HydrophobicContact CE-CG 4.32Å; L75-Y86 HydrophobicContact CD1-CD1 4.32Å; L75-Y86 HydrophobicContact CD1-CE1 3.58Å; L75-Y86 HydrophobicContact CD1-CE2 4.22Å; D82-Y86 WeakPolarHBondContact O-CE2 3.46Å; D82-Y86 PolarHBondContact O-OH 3.47Å; A84-Y86 HydrophobicContact CB-CD2 4.48Å; A84-Y86 HydrophobicContact CB-CE2 3.96Å
87	Y	97	Very high	93.8	Very high	108 Å²	108	71.8 Å²	71.8	42%	0.424	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	149.7	179.2	-59.2	-84	0	0	0	110.3	W28 V29 Q31 V85	W28-Y87 WeakPolarHBondContact CA-O 3.39Å; V29-Y87 PolarHBondContact N-O 2.8Å; V29-Y87 PolarHBondContact O-N 2.9Å; Q31-Y87 HydrophobicContact CB-CD2 4.19Å; Q31-Y87 HydrophobicContact CB-CE2 3.63Å; Q31-Y87 HydrophobicContact CG-CE2 4.37Å; Q31-Y87 PolarHBondContact OE1-OH 3.44Å; V85-Y87 HydrophobicContact CB-CE2 3.97Å; V85-Y87 HydrophobicContact CG1-CD2 4.3Å; V85-Y87 HydrophobicContact CG1-CE1 3.93Å; V85-Y87 HydrophobicContact CG1-CE2 3.58Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.33Å
88	C	97.3	Very high	93.8	Very high	45 Å²	45	71.2 Å²	71.2	30%	0.304	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146	164.9	62.3	0	0	0	0	109.3	C14 M26 H27 W28	C14-C88 HydrophobicContact CB-CB 3.52Å; C14-C88 WeakPolarHBondContact CB-SG 3.3Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.21Å; M26-C88 HydrophobicContact SD-CB 3.85Å; H27-C88 WeakPolarHBondContact O-CA 3.38Å; W28-C88 HydrophobicContact CD2-CB 4.27Å; W28-C88 HydrophobicContact CE3-CB 4.09Å; W28-C88 HydrophobicContact CH2-CB 4.27Å; W28-C88 HydrophobicContact CZ2-CB 4.41Å; W28-C88 HydrophobicContact CZ3-CB 4.1Å
89	A	96.2	Very high	93.7	Very high	47 Å²	47	75.8 Å²	75.8	39%	0.388	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	144.9	175	0	0	0	0	0	110	M26 H27	M26-A89 VanDerWaalsContact SD-C 3.56Å; H27-A89 PolarHBondContact N-O 3.47Å; H27-A89 PolarHBondContact O-N 2.91Å; H27-A89 VanDerWaalsContact O-N 3.1Å
90	P	95.8	Very high	93.8	Very high	55 Å²	55	76.8 Å²	76.8	36%	0.357	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	153	162	29.7	-32.8	0	0	0	109.7	Y19 Y24 W25	Y19-P90 HydrophobicContact CE1-CB 4.4Å; Y19-P90 HydrophobicContact CE1-CG 4.08Å; Y19-P90 HydrophobicContact CE2-CB 4.06Å; Y24-P90 HydrophobicContact CG-CB 4.36Å; W25-P90 CarbonylContact O-C 3.56Å; W25-P90 WeakPolarHBondContact O-CA 3.29Å
91	E	86.9	Confident	94.1	Very high	167 Å²	167	73.7 Å²	73.7	78%	0.78	41%	0.407	S	S	*	.			trans	-53.5	0	162.5	-173.1	176.1	-172.1	0	0	112	Y24 W25	Y24-E91 WeakPolarHBondContact CD1-O 3.12Å; W25-E91 HydrophobicContact CB-CB 4.41Å; W25-E91 PolarHBondContact O-N 2.67Å

Retrieved 91 of 91 residues in 22.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).