X5J4Z1_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4Z1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 105 aa.

						>X5J4Z1_MOUSE|X5J4Z1
TELVKPGASVKLSCKASGYTFTSYWMHLVKQRPGQGLEWIGNINPSNGGTNYNEKFKSKATLTVDKSSSTAYMQLSSLTSEDSAVYYCASWVDYWGQGTTLTVSS
					

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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	T	74.7	Confident	91.9	Very high	141 Å²	141	78.6 Å²	78.6	87%	0.865	45%	0.452	S	S	*	.				0	133.6	0	-52.3	0	0	0	0	108.9	T100	T1-T100 CarbonylContact C-O 3.56Å; T1-T100 WeakPolarHBondContact CA-O 3.28Å; T1-T100 HydrophobicContact CG2-CG2 4.01Å
2	E	84.5	Confident	92.1	Very high	72 Å²	72	72.9 Å²	72.9	34%	0.336	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.8	-178.9	-165.8	166.1	-170.4	0	0	109.3	V4 V10 L12 T100 L101 T102	E2-V4 HydrophobicContact CG-CG1 4.02Å; E2-V10 HydrophobicContact CG-CG2 4.21Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.44Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.26Å; E2-L12 WeakPolarHBondContact OE2-CD2 3.29Å; E2-T100 PolarHBondContact N-O 3.21Å; E2-L101 HydrophobicContact CB-CD1 4Å; E2-L101 HydrophobicContact CG-CD1 4.26Å; E2-T102 PolarHBondContact O-N 3.49Å
3	L	91.6	Very high	92.3	Very high	126 Å²	126	72.8 Å²	72.8	66%	0.66	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	121	179.8	-177.6	67.4	0	0	0	108.7	T102	L3-T102 WeakPolarHBondContact CA-O 3.36Å; L3-T102 HydrophobicContact CD1-CG2 3.85Å
4	V	93.9	Very high	92.2	Very high	19 Å²	19	68.1 Å²	68.1	12%	0.115	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	155.6	-174.5	-59.4	0	0	0	0	111.4	E2 A8 L78 L101 T102 V103 S104	E2-V4 HydrophobicContact CG-CG1 4.02Å; V4-A8 HydrophobicContact CB-CB 4.42Å; V4-L78 HydrophobicContact CB-CD1 4.46Å; V4-L78 HydrophobicContact CG2-CD1 3.65Å; V4-L101 HydrophobicContact CG1-CD1 4.06Å; V4-L101 HydrophobicContact CG2-CD1 3.87Å; V4-T102 PolarHBondContact N-O 3.23Å; V4-V103 HydrophobicContact CG2-CB 4.28Å; V4-V103 HydrophobicContact CG2-CG1 4.39Å; V4-V103 HydrophobicContact CG2-CG2 3.76Å; V4-V103 WeakPolarHBondContact O-CA 3.47Å; V4-S104 PolarHBondContact O-N 2.63Å; V4-S104 PolarHBondContact O-OG 2.95Å
5	K	93.6	Very high	92.2	Very high	162 Å²	162	74.4 Å²	74.4	70%	0.704	42%	0.418	S	S	*	.			trans	-82	156	175	-64.1	-177.1	-178.9	-178.8	0	110.9	A8	K5-A8 WeakPolarHBondContact O-CB 3.38Å; K5-A8 PolarHBondContact O-N 3.31Å
6	P	95.2	Very high	91.8	Very high	69 Å²	69	70.6 Å²	70.6	45%	0.448	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	145.4	172.6	-19.7	35.1	0	0	0	110.6	A8 L78 V103 S104	P6-A8 PolarHBondContact O-N 3.01Å; P6-L78 CarbonylContact C-O 3.54Å; P6-L78 WeakPolarHBondContact CA-O 3.17Å; P6-V103 HydrophobicContact CB-CG1 4.4Å; P6-V103 HydrophobicContact CG-CG1 4.23Å; P6-S104 WeakPolarHBondContact CD-O 3.4Å; P6-S104 WeakPolarHBondContact CG-O 3.25Å
7	G	94.2	Very high	91.2	Very high	53 Å²	53	72.4 Å²	72.4	55%	0.546	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	-10.3	-176.3	0	0	0	0	0	114.7	L78	G7-L78 PolarHBondContact N-O 2.84Å
8	A	95.2	Very high	90.2	Very high	34 Å²	34	73.3 Å²	73.3	28%	0.281	45%	0.445	S	S	.	.			trans	-66.9	163.3	175.2	0	0	0	0	0	111.6	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.42Å; K5-A8 WeakPolarHBondContact O-CB 3.38Å; K5-A8 PolarHBondContact O-N 3.31Å; P6-A8 PolarHBondContact O-N 3.01Å; A8-S77 PolarHBondContact O-N 3.26Å; A8-L78 WeakPolarHBondContact O-CB 3.41Å; A8-L78 VanDerWaalsContact O-CG 3.29Å; A8-L78 WeakPolarHBondContact O-CG 3.27Å; A8-L78 PolarHBondContact O-N 2.83Å
9	S	95.9	Very high	89.2	Confident	68 Å²	68	72.7 Å²	72.7	48%	0.476	44%	0.435	S	S	.	.			trans	-114.6	145.3	168.4	-58.9	0	0	0	0	109.5	L75 S76	S9-L75 CarbonylContact C-O 3.58Å; S9-L75 WeakPolarHBondContact CA-O 3.28Å; S9-L75 WeakPolarHBondContact CB-O 3.2Å; S9-S76 WeakPolarHBondContact OG-CA 3.37Å
10	V	95.6	Very high	88.9	Confident	6 Å²	6	73.5 Å²	73.5	4%	0.036	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.1	-179.6	72.3	0	0	0	0	110.5	E2 L12 Q74 L75 L78 L101	E2-V10 HydrophobicContact CG-CG2 4.21Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.44Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.26Å; V10-L12 HydrophobicContact CG1-CG 4.44Å; V10-L12 HydrophobicContact CG2-CD2 4.16Å; V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 VanDerWaalsContact O-CA 3.22Å; V10-Q74 WeakPolarHBondContact O-CA 3.42Å; V10-L75 HydrophobicContact CG1-CB 3.97Å; V10-L75 HydrophobicContact CG1-CD1 4.13Å; V10-L75 HydrophobicContact CG1-CG 4.45Å; V10-L75 PolarHBondContact N-O 2.9Å; V10-L75 PolarHBondContact O-N 2.87Å; V10-L78 HydrophobicContact CB-CD1 3.95Å; V10-L78 HydrophobicContact CG1-CD1 3.71Å; V10-L101 HydrophobicContact CB-CD1 4.46Å; V10-L101 HydrophobicContact CG1-CD1 4.12Å; V10-L101 HydrophobicContact CG1-CD2 3.91Å; V10-L101 HydrophobicContact CG2-CD1 4.24Å
11	K	96	Very high	88.7	Confident	115 Å²	115	70.4 Å²	70.4	50%	0.5	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	106.6	176.4	-174	177.4	178.6	-178.9	0	109.7	Y72	K11-Y72 HydrophobicContact CD-CD1 4.26Å; K11-Y72 VanDerWaalsContact CE-CB 3.44Å; K11-Y72 HydrophobicContact CG-CD1 4.16Å
12	L	95.1	Very high	89.3	Confident	10 Å²	10	66.5 Å²	66.5	5%	0.052	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	140.3	177.9	-57.1	176.6	0	0	0	109.8	E2 V10 Y72 M73 L75 Y86 T99	E2-L12 WeakPolarHBondContact OE2-CD2 3.29Å; V10-L12 HydrophobicContact CG1-CG 4.44Å; V10-L12 HydrophobicContact CG2-CD2 4.16Å; L12-Y72 CarbonylContact O-C 3.42Å; L12-Y72 VanDerWaalsContact O-CA 3.23Å; L12-Y72 WeakPolarHBondContact O-CA 3.31Å; L12-M73 HydrophobicContact CD1-CE 3.78Å; L12-M73 PolarHBondContact N-O 2.78Å; L12-M73 PolarHBondContact O-N 2.89Å; L12-L75 HydrophobicContact CD1-CD1 4.2Å; L12-Y86 HydrophobicContact CD1-CD1 4.27Å; L12-Y86 HydrophobicContact CD1-CD2 4.03Å; L12-Y86 HydrophobicContact CD1-CG 3.7Å; L12-T99 HydrophobicContact CD2-CG2 3.85Å
13	S	94.2	Very high	89.4	Confident	72 Å²	72	66.3 Å²	66.3	50%	0.503	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	142.4	-179.7	61.9	0	0	0	0	112.1
14	C	91.6	Very high	89.2	Confident	7 Å²	7	64.6 Å²	64.6	5%	0.047	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	88	179.3	-59.1	0	0	0	0	108	L28 T70 A71 C88	C14-L28 WeakPolarHBondContact SG-CD1 3.36Å; C14-T70 WeakPolarHBondContact O-CA 3.22Å; C14-A71 HydrophobicContact CB-CB 4.17Å; C14-A71 WeakPolarHBondContact CB-O 3.45Å; C14-A71 PolarHBondContact N-O 3.09Å; C14-A71 PolarHBondContact O-N 2.01Å; C14-C88 HydrophobicContact CB-CB 3.53Å; C14-C88 WeakPolarHBondContact CB-SG 3.31Å; C14-C88 WeakPolarHBondContact SG-CB 3.35Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.79Å
15	K	91	Very high	89.1	Confident	162 Å²	162	68 Å²	68	70%	0.704	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	122.4	179	-171.8	174	-176.6	179.5	0	110
16	A	86.4	Confident	89.1	Confident	13 Å²	13	60.6 Å²	60.6	11%	0.107	37%	0.368	C	S	.	.			trans	-75.5	146.6	175	0	0	0	0	0	111.4	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.94Å; A16-Y19 HydrophobicContact CB-CE2 4.14Å; A16-Y19 VanDerWaalsContact CB-OH 3.27Å; A16-Y19 WeakPolarHBondContact CB-OH 3.04Å; A16-F21 HydrophobicContact CB-CB 3.91Å; A16-F21 HydrophobicContact CB-CD2 3.33Å; A16-F21 HydrophobicContact CB-CE2 4.09Å; A16-F21 HydrophobicContact CB-CG 3.92Å; A16-S69 PolarHBondContact N-O 2.98Å
17	S	82.4	Confident	89	Confident	102 Å²	102	60.5 Å²	60.5	71%	0.713	36%	0.361	S	S	*	.			trans	-146.9	143.7	174.1	65.4	0	0	0	0	110	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.02Å; S17-Y19 PolarHBondContact O-N 2.98Å
18	G	72.9	Confident	89.1	Confident	89 Å²	89	58 Å²	58	92%	0.918	34%	0.335	S	S	*	.	S	Bend	trans	79.9	4.1	173.9	0	0	0	0	0	116.7
19	Y	71.7	Confident	89.1	Confident	62 Å²	62	56.8 Å²	56.8	24%	0.243	32%	0.324	C	S	.	.	S	Bend	trans	-151.7	168	176.3	65.3	-85.7	0	0	0	112.5	A16 S17 F21 Y24 M26 S90	A16-Y19 HydrophobicContact CB-CE1 3.94Å; A16-Y19 HydrophobicContact CB-CE2 4.14Å; A16-Y19 VanDerWaalsContact CB-OH 3.27Å; A16-Y19 WeakPolarHBondContact CB-OH 3.04Å; S17-Y19 WeakPolarHBondContact O-CD1 3.02Å; S17-Y19 PolarHBondContact O-N 2.98Å; Y19-F21 PolarHBondContact O-N 3.24Å; Y19-Y24 HydrophobicContact CD2-CD2 4Å; Y19-Y24 HydrophobicContact CE2-CD2 4.44Å; Y19-M26 WeakPolarHBondContact OH-CE 3.36Å; Y19-S90 VanDerWaalsContact CZ-OG 3.25Å; Y19-S90 WeakPolarHBondContact OH-CB 3.29Å; Y19-S90 PolarHBondContact OH-OG 2.94Å; Y19-S90 VanDerWaalsContact OH-OG 3.12Å
20	T	82	Confident	89.1	Confident	88 Å²	88	53.6 Å²	53.6	54%	0.54	30%	0.302	S	S	.	.			trans	-69.8	97.3	173.7	-52.4	0	0	0	0	109.9	T22 S23	T20-T22 PolarHBondContact O-N 2.9Å; T20-S23 WeakPolarHBondContact CB-OG 3.01Å; T20-S23 WeakPolarHBondContact CG2-OG 3.42Å; T20-S23 WeakPolarHBondContact O-CB 3.29Å; T20-S23 PolarHBondContact O-N 3.01Å
21	F	84.1	Confident	89.2	Confident	8 Å²	8	56.5 Å²	56.5	4%	0.035	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-49.1	-37.4	-177.4	175	-123.8	0	0	0	113.8	A16 Y19 S23 M26 P45 V64 S69 A71	A16-F21 HydrophobicContact CB-CB 3.91Å; A16-F21 HydrophobicContact CB-CD2 3.33Å; A16-F21 HydrophobicContact CB-CE2 4.09Å; A16-F21 HydrophobicContact CB-CG 3.92Å; Y19-F21 PolarHBondContact O-N 3.24Å; F21-S23 VanDerWaalsContact C-N 3.32Å; F21-S23 PolarHBondContact O-N 3.14Å; F21-M26 HydrophobicContact CD2-CE 4.33Å; F21-M26 HydrophobicContact CE2-CE 3.94Å; F21-P45 HydrophobicContact CD1-CB 3.89Å; F21-P45 HydrophobicContact CD2-CB 4.18Å; F21-P45 HydrophobicContact CD2-CG 4.21Å; F21-P45 HydrophobicContact CE1-CB 3.61Å; F21-P45 HydrophobicContact CE1-CG 4.46Å; F21-P45 HydrophobicContact CE2-CB 3.92Å; F21-P45 HydrophobicContact CE2-CG 3.88Å; F21-P45 HydrophobicContact CG-CB 4.2Å; F21-P45 HydrophobicContact CZ-CB 3.64Å; F21-P45 HydrophobicContact CZ-CG 4.03Å; F21-P45 WeakPolarHBondContact O-CB 3.43Å; F21-P45 WeakPolarHBondContact O-CG 3.38Å; F21-V64 HydrophobicContact CE1-CG2 3.44Å; F21-V64 VanDerWaalsContact CE1-CG2 3.44Å; F21-V64 HydrophobicContact CZ-CG2 3.57Å; F21-S69 VanDerWaalsContact CD1-CA 3.41Å; F21-S69 VanDerWaalsContact CE1-C 3.47Å; F21-A71 HydrophobicContact CE2-CB 4.33Å; F21-A71 HydrophobicContact CZ-CB 4.16Å
22	T	87.6	Confident	89.1	Confident	60 Å²	60	53 Å²	53	37%	0.368	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-77.8	-11.3	-177.8	52.4	0	0	0	0	114.5	T20 S46	T20-T22 PolarHBondContact O-N 2.9Å; T22-S46 WeakPolarHBondContact O-CB 3.39Å
23	S	87.1	Confident	88.7	Confident	68 Å²	68	58 Å²	58	48%	0.476	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-82.3	-18.4	-175.2	-64.6	0	0	0	0	114.1	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.01Å; T20-S23 WeakPolarHBondContact CG2-OG 3.42Å; T20-S23 WeakPolarHBondContact O-CB 3.29Å; T20-S23 PolarHBondContact O-N 3.01Å; F21-S23 VanDerWaalsContact C-N 3.32Å; F21-S23 PolarHBondContact O-N 3.14Å
24	Y	87.1	Confident	88.5	Confident	89 Å²	89	59 Å²	59	35%	0.349	35%	0.353	S	S	.	.	S	Bend	trans	-134.4	145.4	-171	-55.7	-58.1	0	0	0	112.5	Y19 P45 W91	Y19-Y24 HydrophobicContact CD2-CD2 4Å; Y19-Y24 HydrophobicContact CE2-CD2 4.44Å; Y24-P45 WeakPolarHBondContact O-CD 3.38Å; Y24-P45 VanDerWaalsContact O-CG 3.29Å; Y24-P45 WeakPolarHBondContact O-CG 3.18Å; Y24-W91 AromaticContact CD1-CD1 3.37Å; Y24-W91 AromaticContact CD1-NE1 3.07Å; Y24-W91 AromaticContact CD2-CD1 3.68Å; Y24-W91 AromaticContact CD2-NE1 3.79Å; Y24-W91 AromaticContact CE1-CD1 3.64Å; Y24-W91 AromaticContact CE1-CE2 3.82Å; Y24-W91 HydrophobicContact CE1-CZ2 4.27Å; Y24-W91 AromaticContact CE1-NE1 2.84Å; Y24-W91 AromaticContact CE2-CD1 3.88Å; Y24-W91 AromaticContact CE2-NE1 3.56Å; Y24-W91 AromaticContact CG-CD1 3.4Å; Y24-W91 AromaticContact CG-NE1 3.56Å; Y24-W91 AromaticContact CZ-CD1 3.85Å; Y24-W91 AromaticContact CZ-CE2 3.75Å; Y24-W91 AromaticContact CZ-NE1 3.07Å
25	W	92.2	Very high	88.5	Confident	92 Å²	92	63.6 Å²	63.6	35%	0.348	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-64.3	135.8	171.3	-70.7	74.3	0	0	0	110	N42 N44 G49 N51	W25-N42 HydrophobicContact CE3-CB 4Å; W25-N42 WeakPolarHBondContact CZ3-OD1 3.14Å; W25-N44 HydrophobicContact CD2-CB 3.77Å; W25-N44 HydrophobicContact CE3-CB 3.83Å; W25-N44 HydrophobicContact CG-CB 4.49Å; W25-N44 HydrophobicContact CH2-CB 3.85Å; W25-N44 HydrophobicContact CZ2-CB 3.76Å; W25-N44 HydrophobicContact CZ3-CB 3.87Å; W25-G49 WeakPolarHBondContact CZ3-O 3.13Å; W25-N51 WeakPolarHBondContact CH2-ND2 3.24Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.26Å
26	M	93.1	Very high	88.5	Confident	6 Å²	6	58.5 Å²	58.5	3%	0.03	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.1	172.2	-174.9	68.8	70.3	0	0	108.5	Y19 F21 L28 N42 I43 P45 A71 C88	Y19-M26 WeakPolarHBondContact OH-CE 3.36Å; F21-M26 HydrophobicContact CD2-CE 4.33Å; F21-M26 HydrophobicContact CE2-CE 3.94Å; M26-L28 HydrophobicContact CG-CD2 4.32Å; M26-N42 CarbonylContact O-C 3.56Å; M26-N42 WeakPolarHBondContact O-CA 3.19Å; M26-N42 VanDerWaalsContact O-CB 3.32Å; M26-N42 WeakPolarHBondContact O-CB 3.42Å; M26-I43 HydrophobicContact CB-CG2 3.96Å; M26-I43 PolarHBondContact N-O 2.77Å; M26-I43 PolarHBondContact O-N 2.83Å; M26-P45 HydrophobicContact CB-CG 4.42Å; M26-A71 HydrophobicContact CB-CB 4.27Å; M26-A71 HydrophobicContact CG-CB 3.95Å; M26-C88 HydrophobicContact SD-CB 3.94Å
27	H	94.6	Very high	88.9	Confident	66 Å²	66	62.4 Å²	62.4	31%	0.306	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	138.9	176.9	-67.1	-108.4	0	0	0	110.2	W39 N42 C88 A89	H27-W39 AromaticContact ND1-CD1 3.92Å; H27-W39 AromaticContact ND1-NE1 3.24Å; H27-W39 PolarHBondContact ND1-NE1 3.5Å; H27-N42 PolarHBondContact CE1-ND2 3.06Å; H27-C88 CarbonylContact O-C 3.53Å; H27-C88 WeakPolarHBondContact O-CA 3.38Å; H27-A89 HydrophobicContact CB-CB 4.36Å; H27-A89 PolarHBondContact N-O 3Å; H27-A89 PolarHBondContact O-N 3.42Å
28	L	95.3	Very high	89.6	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.5	176.3	-70.2	-57.4	0	0	0	108.5	C14 M26 I40 G41 I43 L62 M73 C88	C14-L28 WeakPolarHBondContact SG-CD1 3.36Å; M26-L28 HydrophobicContact CG-CD2 4.32Å; L28-I40 HydrophobicContact CB-CB 4.23Å; L28-I40 HydrophobicContact CB-CD1 4.48Å; L28-I40 WeakPolarHBondContact O-CB 3.4Å; L28-I40 PolarHBondContact O-N 3.03Å; L28-G41 PolarHBondContact N-O 3.42Å; L28-I43 HydrophobicContact CD2-CG2 4.42Å; L28-L62 HydrophobicContact CB-CD2 4.36Å; L28-L62 HydrophobicContact CD2-CD1 4.01Å; L28-L62 HydrophobicContact CD2-CD2 3.84Å; L28-L62 HydrophobicContact CG-CD2 3.71Å; L28-M73 HydrophobicContact CB-CE 4.43Å; L28-M73 HydrophobicContact CB-SD 3.75Å; L28-M73 HydrophobicContact CD1-CB 4.16Å; L28-M73 HydrophobicContact CD1-CE 4.36Å; L28-M73 HydrophobicContact CD1-SD 4.33Å; L28-M73 HydrophobicContact CG-CB 4.18Å; L28-M73 HydrophobicContact CG-SD 3.94Å; L28-C88 HydrophobicContact CD1-CB 4.43Å
29	V	95.9	Very high	90.7	Very high	8 Å²	8	59.2 Å²	59.2	5%	0.048	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	138.6	-170.7	-176.3	0	0	0	0	109.6	L37 E38 Y86 Y87 W95	V29-L37 HydrophobicContact CG1-CB 3.82Å; V29-L37 HydrophobicContact CG1-CD2 3.81Å; V29-L37 HydrophobicContact CG1-CG 4.31Å; V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.44Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.38Å; V29-Y87 PolarHBondContact N-O 3.49Å; V29-Y87 PolarHBondContact O-N 3.47Å; V29-W95 HydrophobicContact CB-CH2 4.46Å; V29-W95 HydrophobicContact CB-CZ3 4.14Å; V29-W95 HydrophobicContact CG1-CH2 4.38Å; V29-W95 HydrophobicContact CG1-CZ3 4.28Å; V29-W95 HydrophobicContact CG2-CH2 4.03Å; V29-W95 HydrophobicContact CG2-CZ3 4.09Å
30	K	96.2	Very high	91.9	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.009	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.9	172.9	179.9	179.1	-178.5	177.7	0	109.3	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.31Å; K30-E38 PolarHBondContact N-O 3.05Å; K30-E38 PolarHBondContact O-N 2.64Å; K30-I40 HydrophobicContact CB-CD1 3.99Å; K30-I40 HydrophobicContact CB-CG1 4.16Å; K30-F56 HydrophobicContact CD-CE1 3.89Å; K30-F56 HydrophobicContact CD-CZ 4.13Å; K30-E81 PolarHBondContact NZ-O 3.42Å; K30-D82 IonicContact NZ-OD1 3.9Å; K30-D82 PolarHBondContact NZ-OD1 2.87Å; K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.61Å; K30-Y86 HydrophobicContact CB-CD1 4.13Å; K30-Y86 HydrophobicContact CB-CE1 3.91Å; K30-Y86 HydrophobicContact CD-CE1 4.01Å; K30-Y86 HydrophobicContact CG-CD1 4.36Å; K30-Y86 HydrophobicContact CG-CE1 3.85Å
31	Q	96.3	Very high	92.5	Very high	67 Å²	67	52.1 Å²	52.1	31%	0.313	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	115.5	170.8	-166.1	-177.7	30.6	0	0	109.9	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.88Å; Q31-L37 HydrophobicContact CG-CD2 3.95Å; Q31-A84 WeakPolarHBondContact O-CA 3.31Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.29Å; Q31-V85 PolarHBondContact N-O 2.94Å; Q31-V85 PolarHBondContact O-N 3.38Å; Q31-Y87 HydrophobicContact CB-CD2 4.24Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 PolarHBondContact OE1-OH 2.84Å
32	R	93.6	Very high	93.1	Very high	41 Å²	41	52.6 Å²	52.6	16%	0.155	30%	0.298	C	S	.	.			trans	-85.6	146.9	172.2	-70.6	169.1	167.3	170.6	-3.1	110	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.78Å; R32-Q35 HydrophobicContact CB-CB 3.98Å; R32-Q35 HydrophobicContact CB-CG 4.01Å; R32-Q35 PolarHBondContact O-N 2.78Å; R32-E38 IonicContact CZ-OE2 3.5Å; R32-E38 IonicContact NE-OE2 2.9Å; R32-E38 IonicContact NH1-OE2 2.64Å; R32-E81 PolarHBondContact NE-O 2.97Å; R32-E81 VanDerWaalsContact NE-O 3.14Å; R32-E81 PolarHBondContact NH2-O 3.07Å; R32-E81 IonicContact NH2-OE2 3.98Å; R32-A84 HydrophobicContact CG-CB 4.19Å
33	P	88.3	Confident	93.5	Very high	115 Å²	115	49.8 Å²	49.8	75%	0.747	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	126.2	174	-25.4	34.3	0	0	0	111.2	Q35	P33-Q35 PolarHBondContact O-N 3.03Å
34	G	89.8	Confident	93.9	Very high	93 Å²	93	47.6 Å²	47.6	96%	0.959	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	6.6	-179.6	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 2.78Å
35	Q	91.1	Very high	94.2	Very high	103 Å²	103	43.3 Å²	43.3	48%	0.481	25%	0.247	S	C	.	.	S	Bend	trans	-117.2	164.5	175.9	-54.8	-173.8	7.3	0	0	111.4	R32 P33	R32-Q35 HydrophobicContact CB-CB 3.98Å; R32-Q35 HydrophobicContact CB-CG 4.01Å; R32-Q35 PolarHBondContact O-N 2.78Å; P33-Q35 PolarHBondContact O-N 3.03Å
36	G	91.7	Very high	94.2	Very high	55 Å²	55	41.3 Å²	41.3	57%	0.567	25%	0.247	S	C	*	.			trans	-68.4	175.7	174.2	0	0	0	0	0	113.4
37	L	94.3	Very high	94.2	Very high	95 Å²	95	46.2 Å²	46.2	50%	0.497	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	129.1	173.3	-65.9	170.9	0	0	0	110.3	V29 Q31 W95	V29-L37 HydrophobicContact CG1-CB 3.82Å; V29-L37 HydrophobicContact CG1-CD2 3.81Å; V29-L37 HydrophobicContact CG1-CG 4.31Å; Q31-L37 HydrophobicContact CB-CD2 3.88Å; Q31-L37 HydrophobicContact CG-CD2 3.95Å; L37-W95 HydrophobicContact CD1-CH2 3.87Å; L37-W95 HydrophobicContact CD1-CZ2 4.5Å; L37-W95 HydrophobicContact CD1-CZ3 4.42Å
38	E	95.9	Very high	94.2	Very high	37 Å²	37	44.6 Å²	44.6	17%	0.173	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	114.7	175.2	-58.4	-172.2	82.3	0	0	109.5	V29 K30 R32 I40 K55 F56	V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.44Å; K30-E38 HydrophobicContact CB-CB 4.31Å; K30-E38 PolarHBondContact N-O 3.05Å; K30-E38 PolarHBondContact O-N 2.64Å; R32-E38 IonicContact CZ-OE2 3.5Å; R32-E38 IonicContact NE-OE2 2.9Å; R32-E38 IonicContact NH1-OE2 2.64Å; E38-I40 PolarHBondContact O-N 3.32Å; E38-K55 IonicContact OE1-NZ 3.9Å; E38-K55 PolarHBondContact OE1-NZ 3.45Å; E38-K55 IonicContact OE2-NZ 3.74Å; E38-F56 HydrophobicContact CB-CE2 4.31Å; E38-F56 HydrophobicContact CB-CZ 4.16Å
39	W	95.9	Very high	94.3	Very high	88 Å²	88	45.9 Å²	45.9	33%	0.333	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	124.6	175.4	-178.6	70.6	0	0	0	110.7	H27 G41 N42 N51 N53	H27-W39 AromaticContact ND1-CD1 3.92Å; H27-W39 AromaticContact ND1-NE1 3.24Å; H27-W39 PolarHBondContact ND1-NE1 3.5Å; W39-G41 VanDerWaalsContact CE2-C 3.42Å; W39-G41 VanDerWaalsContact CE2-CA 3.49Å; W39-G41 PolarHBondContact NE1-O 2.91Å; W39-N42 HydrophobicContact CZ2-CB 4.07Å; W39-N51 HydrophobicContact CH2-CB 4.17Å; W39-N53 HydrophobicContact CE3-CB 3.83Å; W39-N53 HydrophobicContact CZ3-CB 4.02Å; W39-N53 WeakPolarHBondContact O-CB 2.99Å; W39-N53 PolarHBondContact O-ND2 3.07Å
40	I	96.9	Very high	94.4	Very high	0 Å²	0	48 Å²	48	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-46.1	-179.6	-62.1	172.2	0	0	0	110.2	L28 K30 E38 N53 F56 A60 M73 Y86	L28-I40 HydrophobicContact CB-CB 4.23Å; L28-I40 HydrophobicContact CB-CD1 4.48Å; L28-I40 WeakPolarHBondContact O-CB 3.4Å; L28-I40 PolarHBondContact O-N 3.03Å; K30-I40 HydrophobicContact CB-CD1 3.99Å; K30-I40 HydrophobicContact CB-CG1 4.16Å; E38-I40 PolarHBondContact O-N 3.32Å; I40-N53 PolarHBondContact O-N 2.95Å; I40-F56 HydrophobicContact CB-CD2 4.38Å; I40-F56 HydrophobicContact CB-CG 4.3Å; I40-F56 HydrophobicContact CG1-CD1 4.18Å; I40-F56 HydrophobicContact CG1-CD2 4.26Å; I40-F56 HydrophobicContact CG1-CE1 4.25Å; I40-F56 HydrophobicContact CG1-CE2 4.32Å; I40-F56 HydrophobicContact CG1-CG 4.18Å; I40-F56 HydrophobicContact CG1-CZ 4.32Å; I40-F56 HydrophobicContact CG2-CB 3.77Å; I40-F56 HydrophobicContact CG2-CD1 4.43Å; I40-F56 HydrophobicContact CG2-CG 4.02Å; I40-A60 HydrophobicContact CG2-CB 3.68Å; I40-M73 HydrophobicContact CB-SD 4.45Å; I40-M73 HydrophobicContact CD1-CE 3.74Å; I40-M73 HydrophobicContact CD1-SD 3.38Å; I40-M73 WeakPolarHBondContact CD1-SD 3.32Å; I40-M73 HydrophobicContact CG2-SD 3.95Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.8Å
41	G	96.6	Very high	94.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.9	-179.7	-171.8	0	0	0	0	0	112	L28 W39 N51	L28-G41 PolarHBondContact N-O 3.42Å; W39-G41 VanDerWaalsContact CE2-C 3.42Å; W39-G41 VanDerWaalsContact CE2-CA 3.49Å; W39-G41 PolarHBondContact NE1-O 2.91Å; G41-N51 CarbonylContact C-O 3.48Å; G41-N51 WeakPolarHBondContact CA-O 3.37Å
42	N	96	Very high	94.5	Very high	18 Å²	18	51.3 Å²	51.3	10%	0.096	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	157	170	62.9	26.7	0	0	0	111.3	W25 M26 H27 W39 T50 N51	W25-N42 HydrophobicContact CE3-CB 4Å; W25-N42 WeakPolarHBondContact CZ3-OD1 3.14Å; M26-N42 CarbonylContact O-C 3.56Å; M26-N42 WeakPolarHBondContact O-CA 3.19Å; M26-N42 VanDerWaalsContact O-CB 3.32Å; M26-N42 WeakPolarHBondContact O-CB 3.42Å; H27-N42 PolarHBondContact CE1-ND2 3.06Å; W39-N42 HydrophobicContact CZ2-CB 4.07Å; N42-T50 VanDerWaalsContact O-CA 3.28Å; N42-T50 WeakPolarHBondContact O-CA 3.03Å; N42-N51 PolarHBondContact N-O 2.8Å; N42-N51 PolarHBondContact O-N 2.82Å; N42-N51 WeakPolarHBondContact OD1-CB 3.16Å; N42-N51 PolarHBondContact OD1-ND2 2.9Å
43	I	96.1	Very high	94.6	Very high	2 Å²	2	52 Å²	52	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.1	175.3	-174.7	165.3	0	0	0	109.3	M26 L28 P45 G49 T50 L62 T63 V64 A71	M26-I43 HydrophobicContact CB-CG2 3.96Å; M26-I43 PolarHBondContact N-O 2.77Å; M26-I43 PolarHBondContact O-N 2.83Å; L28-I43 HydrophobicContact CD2-CG2 4.42Å; I43-P45 VanDerWaalsContact O-CD 3.23Å; I43-P45 WeakPolarHBondContact O-CD 3.46Å; I43-G49 CarbonylContact C-O 3.49Å; I43-G49 WeakPolarHBondContact CA-O 3.02Å; I43-T50 HydrophobicContact CB-CG2 3.99Å; I43-T50 HydrophobicContact CD1-CG2 3.89Å; I43-T50 HydrophobicContact CG1-CG2 3.77Å; I43-L62 HydrophobicContact CB-CB 4.2Å; I43-L62 HydrophobicContact CB-CD1 4.38Å; I43-L62 HydrophobicContact CD1-CB 4.22Å; I43-T63 VanDerWaalsContact CD1-C 3.41Å; I43-V64 HydrophobicContact CD1-CB 3.89Å; I43-V64 HydrophobicContact CD1-CG1 4.08Å; I43-A71 HydrophobicContact CG2-CB 4.06Å
44	N	94.8	Very high	95	Very high	21 Å²	21	52.7 Å²	52.7	11%	0.112	32%	0.317	C	S	.	.			trans	-82.8	110.7	171	-175.5	-22.3	0	0	0	109	W25 S46 N47 G48 G49	W25-N44 HydrophobicContact CD2-CB 3.77Å; W25-N44 HydrophobicContact CE3-CB 3.83Å; W25-N44 HydrophobicContact CG-CB 4.49Å; W25-N44 HydrophobicContact CH2-CB 3.85Å; W25-N44 HydrophobicContact CZ2-CB 3.76Å; W25-N44 HydrophobicContact CZ3-CB 3.87Å; N44-S46 VanDerWaalsContact CG-OG 3.28Å; N44-S46 PolarHBondContact ND2-OG 2.94Å; N44-S46 PolarHBondContact O-N 2.89Å; N44-S46 WeakPolarHBondContact OD1-CB 3.37Å; N44-S46 PolarHBondContact OD1-N 3.07Å; N44-S46 PolarHBondContact OD1-OG 3.2Å; N44-N47 VanDerWaalsContact CB-OD1 3.31Å; N44-N47 WeakPolarHBondContact CB-OD1 3.02Å; N44-N47 VanDerWaalsContact CG-OD1 3.3Å; N44-N47 PolarHBondContact ND2-OD1 3.1Å; N44-N47 PolarHBondContact O-N 2.56Å; N44-G48 VanDerWaalsContact O-CA 3.29Å; N44-G48 WeakPolarHBondContact O-CA 3.24Å; N44-G48 PolarHBondContact O-N 2.78Å; N44-G49 PolarHBondContact N-O 3.34Å
45	P	93	Very high	95.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-17.2	-176	-19.2	35.4	0	0	0	113.4	F21 Y24 M26 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.89Å; F21-P45 HydrophobicContact CD2-CB 4.18Å; F21-P45 HydrophobicContact CD2-CG 4.21Å; F21-P45 HydrophobicContact CE1-CB 3.61Å; F21-P45 HydrophobicContact CE1-CG 4.46Å; F21-P45 HydrophobicContact CE2-CB 3.92Å; F21-P45 HydrophobicContact CE2-CG 3.88Å; F21-P45 HydrophobicContact CG-CB 4.2Å; F21-P45 HydrophobicContact CZ-CB 3.64Å; F21-P45 HydrophobicContact CZ-CG 4.03Å; F21-P45 WeakPolarHBondContact O-CB 3.43Å; F21-P45 WeakPolarHBondContact O-CG 3.38Å; Y24-P45 WeakPolarHBondContact O-CD 3.38Å; Y24-P45 VanDerWaalsContact O-CG 3.29Å; Y24-P45 WeakPolarHBondContact O-CG 3.18Å; M26-P45 HydrophobicContact CB-CG 4.42Å; I43-P45 VanDerWaalsContact O-CD 3.23Å; I43-P45 WeakPolarHBondContact O-CD 3.46Å; P45-V64 HydrophobicContact CB-CG2 4.02Å; P45-K66 WeakPolarHBondContact O-CE 3.23Å
46	S	93	Very high	95.3	Very high	50 Å²	50	48.9 Å²	48.9	35%	0.35	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-38	177.4	69.5	0	0	0	0	113.7	T22 N44 K66	T22-S46 WeakPolarHBondContact O-CB 3.39Å; N44-S46 VanDerWaalsContact CG-OG 3.28Å; N44-S46 PolarHBondContact ND2-OG 2.94Å; N44-S46 PolarHBondContact O-N 2.89Å; N44-S46 WeakPolarHBondContact OD1-CB 3.37Å; N44-S46 PolarHBondContact OD1-N 3.07Å; N44-S46 PolarHBondContact OD1-OG 3.2Å; S46-K66 VanDerWaalsContact O-CE 3.25Å; S46-K66 WeakPolarHBondContact O-CE 3.32Å; S46-K66 PolarHBondContact O-NZ 3.46Å
47	N	94.1	Very high	95.4	Very high	109 Å²	109	51.7 Å²	51.7	58%	0.583	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.1	-4.7	-171.6	66.6	12.2	0	0	0	114.1	N44 G49	N44-N47 VanDerWaalsContact CB-OD1 3.31Å; N44-N47 WeakPolarHBondContact CB-OD1 3.02Å; N44-N47 VanDerWaalsContact CG-OD1 3.3Å; N44-N47 PolarHBondContact ND2-OD1 3.1Å; N44-N47 PolarHBondContact O-N 2.56Å; N47-G49 VanDerWaalsContact C-N 3.29Å; N47-G49 PolarHBondContact O-N 3.21Å; N47-G49 PolarHBondContact OD1-N 3.37Å
48	G	94.4	Very high	95.5	Very high	31 Å²	31	52.5 Å²	52.5	32%	0.32	28%	0.282	S	S	.	.			trans	78.2	7.4	179.5	0	0	0	0	0	114.6	N44	N44-G48 VanDerWaalsContact O-CA 3.29Å; N44-G48 WeakPolarHBondContact O-CA 3.24Å; N44-G48 PolarHBondContact O-N 2.78Å
49	G	96.7	Very high	95.4	Very high	28 Å²	28	52.7 Å²	52.7	29%	0.289	28%	0.283	S	S	.	.			trans	-60	136.9	174.9	0	0	0	0	0	111.1	W25 I43 N44 N47	W25-G49 WeakPolarHBondContact CZ3-O 3.13Å; I43-G49 CarbonylContact C-O 3.49Å; I43-G49 WeakPolarHBondContact CA-O 3.02Å; N44-G49 PolarHBondContact N-O 3.34Å; N47-G49 VanDerWaalsContact C-N 3.29Å; N47-G49 PolarHBondContact O-N 3.21Å; N47-G49 PolarHBondContact OD1-N 3.37Å
50	T	97.3	Very high	95.5	Very high	52 Å²	52	48.6 Å²	48.6	32%	0.319	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	143.2	-176.2	50.9	0	0	0	0	111.2	N42 I43 Y52 L62	N42-T50 VanDerWaalsContact O-CA 3.28Å; N42-T50 WeakPolarHBondContact O-CA 3.03Å; I43-T50 HydrophobicContact CB-CG2 3.99Å; I43-T50 HydrophobicContact CD1-CG2 3.89Å; I43-T50 HydrophobicContact CG1-CG2 3.77Å; T50-Y52 HydrophobicContact CG2-CE2 4.5Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.21Å; T50-L62 HydrophobicContact CG2-CB 3.87Å
51	N	97.1	Very high	95.5	Very high	82 Å²	82	51.9 Å²	51.9	44%	0.439	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	147.3	164.6	-55.9	-68	0	0	0	109	W25 W39 G41 N42	W25-N51 WeakPolarHBondContact CH2-ND2 3.24Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.26Å; W39-N51 HydrophobicContact CH2-CB 4.17Å; G41-N51 CarbonylContact C-O 3.48Å; G41-N51 WeakPolarHBondContact CA-O 3.37Å; N42-N51 PolarHBondContact N-O 2.8Å; N42-N51 PolarHBondContact O-N 2.82Å; N42-N51 WeakPolarHBondContact OD1-CB 3.16Å; N42-N51 PolarHBondContact OD1-ND2 2.9Å
52	Y	97.4	Very high	95.6	Very high	57 Å²	57	52.3 Å²	52.3	22%	0.224	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	149	-178.6	-66.5	-89.3	0	0	0	110.5	T50 K57 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.5Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.21Å; Y52-K57 HydrophobicContact CG-CG 4.4Å; Y52-A60 HydrophobicContact CE1-CB 4.43Å; Y52-A60 WeakPolarHBondContact CE1-O 3.23Å; Y52-L62 HydrophobicContact CE1-CB 4.49Å; Y52-L62 HydrophobicContact CE1-CD1 4.07Å; Y52-L62 HydrophobicContact CE1-CG 3.73Å; Y52-L62 PolarHBondContact OH-N 3.27Å
53	N	96.6	Very high	95.6	Very high	55 Å²	55	54.2 Å²	54.2	29%	0.294	30%	0.302	S	S	.	.			trans	-73.4	131.2	155.2	-179.4	-23.7	0	0	0	108.2	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.83Å; W39-N53 HydrophobicContact CZ3-CB 4.02Å; W39-N53 WeakPolarHBondContact O-CB 2.99Å; W39-N53 PolarHBondContact O-ND2 3.07Å; I40-N53 PolarHBondContact O-N 2.95Å; N53-K55 PolarHBondContact O-N 2.94Å; N53-K55 PolarHBondContact OD1-N 2.89Å; N53-K55 VanDerWaalsContact OD1-N 3.1Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.85Å; N53-K57 PolarHBondContact O-N 2.94Å
54	E	95.8	Very high	95.6	Very high	130 Å²	130	55.9 Å²	55.9	61%	0.607	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-31.6	-177.4	-69.5	-61.4	148.2	0	0	112.8	F56 K57	E54-F56 PolarHBondContact O-N 2.92Å; E54-K57 PolarHBondContact O-N 2.81Å; E54-K57 IonicContact OE1-NZ 3.74Å; E54-K57 PolarHBondContact OE1-NZ 2.97Å; E54-K57 VanDerWaalsContact OE2-CD 3.24Å; E54-K57 WeakPolarHBondContact OE2-CD 3.04Å; E54-K57 IonicContact OE2-NZ 2.83Å; E54-K57 PolarHBondContact OE2-NZ 2.8Å
55	K	93.4	Very high	95.6	Very high	111 Å²	111	57.5 Å²	57.5	48%	0.483	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-30.3	175.3	-178.4	176.2	175.2	-178.6	0	113.7	E38 N53	E38-K55 IonicContact OE1-NZ 3.9Å; E38-K55 PolarHBondContact OE1-NZ 3.45Å; E38-K55 IonicContact OE2-NZ 3.74Å; N53-K55 PolarHBondContact O-N 2.94Å; N53-K55 PolarHBondContact OD1-N 2.89Å; N53-K55 VanDerWaalsContact OD1-N 3.1Å
56	F	95.3	Very high	95.4	Very high	6 Å²	6	62.8 Å²	62.8	3%	0.026	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-5.8	-173	-62.3	-83.4	0	0	0	113.5	K30 E38 I40 N53 E54 S58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.89Å; K30-F56 HydrophobicContact CD-CZ 4.13Å; E38-F56 HydrophobicContact CB-CE2 4.31Å; E38-F56 HydrophobicContact CB-CZ 4.16Å; I40-F56 HydrophobicContact CB-CD2 4.38Å; I40-F56 HydrophobicContact CB-CG 4.3Å; I40-F56 HydrophobicContact CG1-CD1 4.18Å; I40-F56 HydrophobicContact CG1-CD2 4.26Å; I40-F56 HydrophobicContact CG1-CE1 4.25Å; I40-F56 HydrophobicContact CG1-CE2 4.32Å; I40-F56 HydrophobicContact CG1-CG 4.18Å; I40-F56 HydrophobicContact CG1-CZ 4.32Å; I40-F56 HydrophobicContact CG2-CB 3.77Å; I40-F56 HydrophobicContact CG2-CD1 4.43Å; I40-F56 HydrophobicContact CG2-CG 4.02Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.85Å; E54-F56 PolarHBondContact O-N 2.92Å; F56-S58 VanDerWaalsContact C-N 3.27Å; F56-S58 PolarHBondContact O-N 3.49Å; F56-K59 PolarHBondContact O-N 3.24Å; F56-A60 HydrophobicContact CB-CB 4.38Å; F56-A60 PolarHBondContact O-N 2.9Å
57	K	93.9	Very high	95.3	Very high	114 Å²	114	65.7 Å²	65.7	50%	0.496	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-32.2	-172.8	-167	177.2	-170.5	173.6	0	114.3	Y52 N53 E54	Y52-K57 HydrophobicContact CG-CG 4.4Å; N53-K57 PolarHBondContact O-N 2.94Å; E54-K57 PolarHBondContact O-N 2.81Å; E54-K57 IonicContact OE1-NZ 3.74Å; E54-K57 PolarHBondContact OE1-NZ 2.97Å; E54-K57 VanDerWaalsContact OE2-CD 3.24Å; E54-K57 WeakPolarHBondContact OE2-CD 3.04Å; E54-K57 IonicContact OE2-NZ 2.83Å; E54-K57 PolarHBondContact OE2-NZ 2.8Å
58	S	94.6	Very high	95.2	Very high	111 Å²	111	62.4 Å²	62.4	78%	0.776	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-12	175.3	58.4	0	0	0	0	113.7	F56	F56-S58 VanDerWaalsContact C-N 3.27Å; F56-S58 PolarHBondContact O-N 3.49Å
59	K	95.1	Very high	95.1	Very high	41 Å²	41	63.1 Å²	63.1	18%	0.178	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-30.5	-168.6	-161.6	161.5	-160.1	174.6	0	113.7	F56 L75 S76 D82	F56-K59 PolarHBondContact O-N 3.24Å; K59-L75 CarbonylContact O-C 3.48Å; K59-L75 VanDerWaalsContact O-CA 3.31Å; K59-L75 WeakPolarHBondContact O-CA 3.37Å; K59-S76 WeakPolarHBondContact CE-O 3.43Å; K59-S76 WeakPolarHBondContact CG-O 3.44Å; K59-S76 PolarHBondContact O-N 2.92Å; K59-S76 PolarHBondContact O-OG 3.03Å; K59-D82 WeakPolarHBondContact CE-OD1 3.34Å; K59-D82 WeakPolarHBondContact CE-OD2 3.39Å; K59-D82 IonicContact NZ-OD1 2.56Å; K59-D82 PolarHBondContact NZ-OD1 2.94Å; K59-D82 IonicContact NZ-OD2 3.37Å; K59-D82 PolarHBondContact NZ-OD2 2.82Å
60	A	96.9	Very high	95	Very high	2 Å²	2	62.1 Å²	62.1	2%	0.017	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134	-176.8	0	0	0	0	0	110.8	I40 Y52 F56 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.68Å; Y52-A60 HydrophobicContact CE1-CB 4.43Å; Y52-A60 WeakPolarHBondContact CE1-O 3.23Å; F56-A60 HydrophobicContact CB-CB 4.38Å; F56-A60 PolarHBondContact O-N 2.9Å; A60-Q74 CarbonylContact C-O 3.6Å; A60-Q74 WeakPolarHBondContact CA-O 3.22Å; A60-L75 HydrophobicContact CB-CD2 3.92Å
61	T	97.8	Very high	94.9	Very high	70 Å²	70	59.6 Å²	59.6	43%	0.429	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.4	168.8	-58.6	0	0	0	0	108.7	T63 Q74	T61-T63 HydrophobicContact CG2-CG2 4.29Å; T61-Q74 PolarHBondContact N-O 2.83Å; T61-Q74 PolarHBondContact O-N 2.92Å
62	L	97.4	Very high	94.8	Very high	9 Å²	9	58.1 Å²	58.1	5%	0.047	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132	177.5	-55.4	-177.3	0	0	0	110.5	L28 I43 T50 Y52 Y72 M73	L28-L62 HydrophobicContact CB-CD2 4.36Å; L28-L62 HydrophobicContact CD2-CD1 4.01Å; L28-L62 HydrophobicContact CD2-CD2 3.84Å; L28-L62 HydrophobicContact CG-CD2 3.71Å; I43-L62 HydrophobicContact CB-CB 4.2Å; I43-L62 HydrophobicContact CB-CD1 4.38Å; I43-L62 HydrophobicContact CD1-CB 4.22Å; T50-L62 HydrophobicContact CG2-CB 3.87Å; Y52-L62 HydrophobicContact CE1-CB 4.49Å; Y52-L62 HydrophobicContact CE1-CD1 4.07Å; Y52-L62 HydrophobicContact CE1-CG 3.73Å; Y52-L62 PolarHBondContact OH-N 3.27Å; L62-Y72 WeakPolarHBondContact CA-O 3.07Å; L62-M73 HydrophobicContact CD2-CB 3.75Å; L62-M73 HydrophobicContact CD2-CG 3.77Å; L62-M73 HydrophobicContact CD2-SD 4.21Å
63	T	97	Very high	94.7	Very high	57 Å²	57	55.5 Å²	55.5	35%	0.35	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	162.2	176.1	57.2	0	0	0	0	110.9	I43 T61 A71 Y72	I43-T63 VanDerWaalsContact CD1-C 3.41Å; T61-T63 HydrophobicContact CG2-CG2 4.29Å; T63-A71 CarbonylContact O-C 3.54Å; T63-A71 WeakPolarHBondContact O-CA 3.36Å; T63-Y72 PolarHBondContact N-O 2.76Å; T63-Y72 PolarHBondContact O-N 2.89Å
64	V	95.8	Very high	94.8	Very high	38 Å²	38	56.9 Å²	56.9	23%	0.23	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.1	178.7	61.9	0	0	0	0	110.8	F21 I43 P45 K66	F21-V64 HydrophobicContact CE1-CG2 3.44Å; F21-V64 VanDerWaalsContact CE1-CG2 3.44Å; F21-V64 HydrophobicContact CZ-CG2 3.57Å; I43-V64 HydrophobicContact CD1-CB 3.89Å; I43-V64 HydrophobicContact CD1-CG1 4.08Å; P45-V64 HydrophobicContact CB-CG2 4.02Å; V64-K66 HydrophobicContact CG2-CG 4.37Å
65	D	94.1	Very high	94.8	Very high	54 Å²	54	50.7 Å²	50.7	29%	0.289	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	106.8	164.1	177.3	6.6	0	0	0	108.9	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.11Å; D65-S67 PolarHBondContact OD1-N 3.23Å; D65-S67 PolarHBondContact OD1-OG 2.87Å; D65-S67 PolarHBondContact OD2-OG 3.39Å; D65-S68 WeakPolarHBondContact CB-OG 3.32Å; D65-S68 PolarHBondContact OD1-N 2.88Å; D65-S68 WeakPolarHBondContact OD2-CB 3.36Å; D65-S68 PolarHBondContact OD2-OG 3.21Å; D65-S69 PolarHBondContact O-N 2.82Å; D65-S69 VanDerWaalsContact O-N 3.15Å; D65-T70 PolarHBondContact N-O 2.83Å; D65-T70 PolarHBondContact O-N 3.33Å; D65-Y72 HydrophobicContact CB-CE2 3.79Å
66	K	90.8	Very high	95	Very high	112 Å²	112	47.1 Å²	47.1	49%	0.487	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-31.6	-179.5	-60.9	-179.4	-169.7	175.3	0	112	P45 S46 V64 S68 S69	P45-K66 WeakPolarHBondContact O-CE 3.23Å; S46-K66 VanDerWaalsContact O-CE 3.25Å; S46-K66 WeakPolarHBondContact O-CE 3.32Å; S46-K66 PolarHBondContact O-NZ 3.46Å; V64-K66 HydrophobicContact CG2-CG 4.37Å; K66-S68 VanDerWaalsContact C-N 3.32Å; K66-S68 PolarHBondContact O-N 3.24Å; K66-S69 PolarHBondContact O-N 2.95Å
67	S	90.3	Very high	95	Very high	111 Å²	111	50.6 Å²	50.6	78%	0.776	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-38	-176.5	72.9	0	0	0	0	111.6	D65	D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.11Å; D65-S67 PolarHBondContact OD1-N 3.23Å; D65-S67 PolarHBondContact OD1-OG 2.87Å; D65-S67 PolarHBondContact OD2-OG 3.39Å
68	S	92.1	Very high	95	Very high	39 Å²	39	45.2 Å²	45.2	27%	0.273	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	3.9	177.1	65	0	0	0	0	113.7	D65 K66 T70	D65-S68 WeakPolarHBondContact CB-OG 3.32Å; D65-S68 PolarHBondContact OD1-N 2.88Å; D65-S68 WeakPolarHBondContact OD2-CB 3.36Å; D65-S68 PolarHBondContact OD2-OG 3.21Å; K66-S68 VanDerWaalsContact C-N 3.32Å; K66-S68 PolarHBondContact O-N 3.24Å; S68-T70 PolarHBondContact O-N 2.9Å; S68-T70 PolarHBondContact O-OG1 3.12Å; S68-T70 WeakPolarHBondContact OG-CB 3.48Å; S68-T70 PolarHBondContact OG-OG1 2.76Å
69	S	91.9	Very high	95.1	Very high	46 Å²	46	42.6 Å²	42.6	32%	0.322	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	44.1	-174.1	-63.3	0	0	0	0	113.1	A16 F21 D65 K66	A16-S69 PolarHBondContact N-O 2.98Å; F21-S69 VanDerWaalsContact CD1-CA 3.41Å; F21-S69 VanDerWaalsContact CE1-C 3.47Å; D65-S69 PolarHBondContact O-N 2.82Å; D65-S69 VanDerWaalsContact O-N 3.15Å; K66-S69 PolarHBondContact O-N 2.95Å
70	T	94.1	Very high	94.9	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.043	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.5	-172.8	-57.9	0	0	0	0	110.6	C14 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.22Å; D65-T70 PolarHBondContact N-O 2.83Å; D65-T70 PolarHBondContact O-N 3.33Å; S68-T70 PolarHBondContact O-N 2.9Å; S68-T70 PolarHBondContact O-OG1 3.12Å; S68-T70 WeakPolarHBondContact OG-CB 3.48Å; S68-T70 PolarHBondContact OG-OG1 2.76Å; T70-Y72 HydrophobicContact CG2-CD1 4.14Å; T70-Y72 HydrophobicContact CG2-CD2 4.26Å; T70-Y72 HydrophobicContact CG2-CE1 3.6Å; T70-Y72 HydrophobicContact CG2-CE2 3.72Å; T70-Y72 HydrophobicContact CG2-CG 4.44Å
71	A	94.7	Very high	94.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	149.5	165.4	0	0	0	0	0	109.2	C14 F21 M26 I43 T63	C14-A71 HydrophobicContact CB-CB 4.17Å; C14-A71 WeakPolarHBondContact CB-O 3.45Å; C14-A71 PolarHBondContact N-O 3.09Å; C14-A71 PolarHBondContact O-N 2.01Å; F21-A71 HydrophobicContact CE2-CB 4.33Å; F21-A71 HydrophobicContact CZ-CB 4.16Å; M26-A71 HydrophobicContact CB-CB 4.27Å; M26-A71 HydrophobicContact CG-CB 3.95Å; I43-A71 HydrophobicContact CG2-CB 4.06Å; T63-A71 CarbonylContact O-C 3.54Å; T63-A71 WeakPolarHBondContact O-CA 3.36Å
72	Y	95.9	Very high	94.5	Very high	50 Å²	50	47.5 Å²	47.5	20%	0.196	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	145.5	178.9	-59.1	-87	0	0	0	110.8	K11 L12 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.26Å; K11-Y72 VanDerWaalsContact CE-CB 3.44Å; K11-Y72 HydrophobicContact CG-CD1 4.16Å; L12-Y72 CarbonylContact O-C 3.42Å; L12-Y72 VanDerWaalsContact O-CA 3.23Å; L12-Y72 WeakPolarHBondContact O-CA 3.31Å; L62-Y72 WeakPolarHBondContact CA-O 3.07Å; T63-Y72 PolarHBondContact N-O 2.76Å; T63-Y72 PolarHBondContact O-N 2.89Å; D65-Y72 HydrophobicContact CB-CE2 3.79Å; T70-Y72 HydrophobicContact CG2-CD1 4.14Å; T70-Y72 HydrophobicContact CG2-CD2 4.26Å; T70-Y72 HydrophobicContact CG2-CE1 3.6Å; T70-Y72 HydrophobicContact CG2-CE2 3.72Å; T70-Y72 HydrophobicContact CG2-CG 4.44Å
73	M	96.4	Very high	94.4	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	114.4	169.9	176.6	168.9	65	0	0	108.6	L12 L28 I40 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.78Å; L12-M73 PolarHBondContact N-O 2.78Å; L12-M73 PolarHBondContact O-N 2.89Å; L28-M73 HydrophobicContact CB-CE 4.43Å; L28-M73 HydrophobicContact CB-SD 3.75Å; L28-M73 HydrophobicContact CD1-CB 4.16Å; L28-M73 HydrophobicContact CD1-CE 4.36Å; L28-M73 HydrophobicContact CD1-SD 4.33Å; L28-M73 HydrophobicContact CG-CB 4.18Å; L28-M73 HydrophobicContact CG-SD 3.94Å; I40-M73 HydrophobicContact CB-SD 4.45Å; I40-M73 HydrophobicContact CD1-CE 3.74Å; I40-M73 HydrophobicContact CD1-SD 3.38Å; I40-M73 WeakPolarHBondContact CD1-SD 3.32Å; I40-M73 HydrophobicContact CG2-SD 3.95Å; L62-M73 HydrophobicContact CD2-CB 3.75Å; L62-M73 HydrophobicContact CD2-CG 3.77Å; L62-M73 HydrophobicContact CD2-SD 4.21Å; M73-L75 HydrophobicContact CE-CD1 4.48Å; M73-L75 HydrophobicContact CG-CD2 4.2Å; M73-L75 HydrophobicContact CG-CG 4.27Å; M73-L75 HydrophobicContact SD-CD2 4.23Å; M73-Y86 HydrophobicContact CE-CD1 3.39Å; M73-Y86 HydrophobicContact CE-CE1 4.12Å; M73-Y86 HydrophobicContact CE-CG 4.03Å
74	Q	97.1	Very high	94.4	Very high	84 Å²	84	46.2 Å²	46.2	39%	0.393	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	123.3	171.4	-176.2	174.6	-2.5	0	0	109.2	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 VanDerWaalsContact O-CA 3.22Å; V10-Q74 WeakPolarHBondContact O-CA 3.42Å; A60-Q74 CarbonylContact C-O 3.6Å; A60-Q74 WeakPolarHBondContact CA-O 3.22Å; T61-Q74 PolarHBondContact N-O 2.83Å; T61-Q74 PolarHBondContact O-N 2.92Å
75	L	96.7	Very high	94.5	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	130.6	173	-59.3	165.2	0	0	0	108.6	S9 V10 L12 K59 A60 M73 L78 Y86 L101	S9-L75 CarbonylContact C-O 3.58Å; S9-L75 WeakPolarHBondContact CA-O 3.28Å; S9-L75 WeakPolarHBondContact CB-O 3.2Å; V10-L75 HydrophobicContact CG1-CB 3.97Å; V10-L75 HydrophobicContact CG1-CD1 4.13Å; V10-L75 HydrophobicContact CG1-CG 4.45Å; V10-L75 PolarHBondContact N-O 2.9Å; V10-L75 PolarHBondContact O-N 2.87Å; L12-L75 HydrophobicContact CD1-CD1 4.2Å; K59-L75 CarbonylContact O-C 3.48Å; K59-L75 VanDerWaalsContact O-CA 3.31Å; K59-L75 WeakPolarHBondContact O-CA 3.37Å; A60-L75 HydrophobicContact CB-CD2 3.92Å; M73-L75 HydrophobicContact CE-CD1 4.48Å; M73-L75 HydrophobicContact CG-CD2 4.2Å; M73-L75 HydrophobicContact CG-CG 4.27Å; M73-L75 HydrophobicContact SD-CD2 4.23Å; L75-L78 HydrophobicContact CB-CD2 3.74Å; L75-L78 HydrophobicContact CD1-CD2 4.34Å; L75-Y86 HydrophobicContact CD1-CD1 4.14Å; L75-Y86 HydrophobicContact CD1-CE1 3.5Å; L75-Y86 HydrophobicContact CD1-CE2 4.09Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.46Å; L75-Y86 HydrophobicContact CD2-CE1 4.44Å; L75-L101 HydrophobicContact CD1-CD2 4.06Å
76	S	96.5	Very high	94.6	Very high	35 Å²	35	43.6 Å²	43.6	25%	0.245	26%	0.255	C	S	.	.			trans	-108.2	158.9	-179.6	59.6	0	0	0	0	112.2	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.37Å; K59-S76 WeakPolarHBondContact CE-O 3.43Å; K59-S76 WeakPolarHBondContact CG-O 3.44Å; K59-S76 PolarHBondContact O-N 2.92Å; K59-S76 PolarHBondContact O-OG 3.03Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.83Å
77	S	95.5	Very high	94.8	Very high	80 Å²	80	40.4 Å²	40.4	56%	0.559	24%	0.24	S	C	*	.	S	Bend	trans	49.3	53	172.5	-57.3	0	0	0	0	112.7	A8	A8-S77 PolarHBondContact O-N 3.26Å
78	L	95.4	Very high	94.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.211	C	C	.	.			trans	-64	139.9	-172.5	-69.2	169.6	0	0	0	112.1	V4 P6 G7 A8 V10 L75 S76 D82 L101 V103	V4-L78 HydrophobicContact CB-CD1 4.46Å; V4-L78 HydrophobicContact CG2-CD1 3.65Å; P6-L78 CarbonylContact C-O 3.54Å; P6-L78 WeakPolarHBondContact CA-O 3.17Å; G7-L78 PolarHBondContact N-O 2.84Å; A8-L78 WeakPolarHBondContact O-CB 3.41Å; A8-L78 VanDerWaalsContact O-CG 3.29Å; A8-L78 WeakPolarHBondContact O-CG 3.27Å; A8-L78 PolarHBondContact O-N 2.83Å; V10-L78 HydrophobicContact CB-CD1 3.95Å; V10-L78 HydrophobicContact CG1-CD1 3.71Å; L75-L78 HydrophobicContact CB-CD2 3.74Å; L75-L78 HydrophobicContact CD1-CD2 4.34Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.83Å; L78-D82 VanDerWaalsContact CA-OD2 3.29Å; L78-D82 WeakPolarHBondContact CA-OD2 3.49Å; L78-D82 HydrophobicContact CD2-CB 3.7Å; L78-L101 HydrophobicContact CD1-CD2 4.23Å; L78-L101 HydrophobicContact CD2-CD2 4.02Å; L78-V103 HydrophobicContact CB-CG1 4.39Å; L78-V103 HydrophobicContact CB-CG2 4.01Å
79	T	94.8	Very high	94.9	Very high	57 Å²	57	34.7 Å²	34.7	35%	0.35	20%	0.2	S	C	.	.			trans	-122.8	167.3	175.1	64.1	0	0	0	0	109.8	E81 D82 V103	T79-E81 PolarHBondContact O-N 2.95Å; T79-D82 PolarHBondContact N-OD2 2.79Å; T79-D82 WeakPolarHBondContact O-CB 3.41Å; T79-D82 PolarHBondContact O-N 2.96Å; T79-D82 PolarHBondContact OG1-OD2 2.94Å; T79-V103 WeakPolarHBondContact O-CB 3.41Å; T79-V103 VanDerWaalsContact O-CG2 3.31Å; T79-V103 WeakPolarHBondContact O-CG2 3.21Å
80	S	92.8	Very high	94.6	Very high	81 Å²	81	32.8 Å²	32.8	57%	0.566	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-52.1	-31.9	176.4	52.9	0	0	0	0	112.9	D82 S83	S80-D82 PolarHBondContact O-N 2.96Å; S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.43Å; S80-S83 PolarHBondContact O-N 2.6Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 3.39Å
81	E	91.4	Very high	93.7	Very high	128 Å²	128	39.1 Å²	39.1	60%	0.598	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-68.3	-11.3	176.7	-60.8	-170.7	-175.8	0	0	115.4	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 3.42Å; R32-E81 PolarHBondContact NE-O 2.97Å; R32-E81 VanDerWaalsContact NE-O 3.14Å; R32-E81 PolarHBondContact NH2-O 3.07Å; R32-E81 IonicContact NH2-OE2 3.98Å; T79-E81 PolarHBondContact O-N 2.95Å; E81-S83 VanDerWaalsContact C-N 3.33Å
82	D	94.3	Very high	92.4	Very high	6 Å²	6	45.1 Å²	45.1	3%	0.032	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-86.5	-7.1	172.4	-57.6	-48.1	0	0	0	113	K30 K59 L78 T79 S80 A84 Y86 V103	K30-D82 IonicContact NZ-OD1 3.9Å; K30-D82 PolarHBondContact NZ-OD1 2.87Å; K59-D82 WeakPolarHBondContact CE-OD1 3.34Å; K59-D82 WeakPolarHBondContact CE-OD2 3.39Å; K59-D82 IonicContact NZ-OD1 2.56Å; K59-D82 PolarHBondContact NZ-OD1 2.94Å; K59-D82 IonicContact NZ-OD2 3.37Å; K59-D82 PolarHBondContact NZ-OD2 2.82Å; L78-D82 VanDerWaalsContact CA-OD2 3.29Å; L78-D82 WeakPolarHBondContact CA-OD2 3.49Å; L78-D82 HydrophobicContact CD2-CB 3.7Å; T79-D82 PolarHBondContact N-OD2 2.79Å; T79-D82 WeakPolarHBondContact O-CB 3.41Å; T79-D82 PolarHBondContact O-N 2.96Å; T79-D82 PolarHBondContact OG1-OD2 2.94Å; S80-D82 PolarHBondContact O-N 2.96Å; D82-A84 PolarHBondContact O-N 2.79Å; D82-Y86 WeakPolarHBondContact O-CE2 2.92Å; D82-Y86 PolarHBondContact O-OH 3.45Å; D82-V103 HydrophobicContact CB-CG2 4.22Å
83	S	95.6	Very high	91.2	Very high	35 Å²	35	48.6 Å²	48.6	25%	0.245	27%	0.268	C	S	.	.			trans	-63.1	112.8	173.1	-55.7	0	0	0	0	109.9	S80 E81 L101 V103	S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.43Å; S80-S83 PolarHBondContact O-N 2.6Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 3.39Å; E81-S83 VanDerWaalsContact C-N 3.33Å; S83-L101 CarbonylContact C-O 3.43Å; S83-L101 VanDerWaalsContact CA-O 3.26Å; S83-L101 WeakPolarHBondContact CA-O 3.45Å; S83-V103 PolarHBondContact OG-N 3.42Å
84	A	96.5	Very high	90.6	Very high	4 Å²	4	55.3 Å²	55.3	3%	0.033	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	171	-169.5	0	0	0	0	0	110.5	K30 Q31 R32 D82 Y86 L101	K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.61Å; Q31-A84 WeakPolarHBondContact O-CA 3.31Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.29Å; R32-A84 HydrophobicContact CG-CB 4.19Å; D82-A84 PolarHBondContact O-N 2.79Å; A84-Y86 HydrophobicContact CB-CD2 4.39Å; A84-Y86 HydrophobicContact CB-CE2 3.86Å; A84-L101 PolarHBondContact N-O 3.45Å; A84-L101 PolarHBondContact O-N 2.95Å
85	V	96.8	Very high	90.2	Very high	32 Å²	32	57.1 Å²	57.1	19%	0.194	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	130.2	163	-168.1	0	0	0	0	108.6	Q31 Y87	Q31-V85 PolarHBondContact N-O 2.94Å; Q31-V85 PolarHBondContact O-N 3.38Å; V85-Y87 HydrophobicContact CB-CE2 3.67Å; V85-Y87 HydrophobicContact CG1-CD2 4.24Å; V85-Y87 HydrophobicContact CG1-CE1 3.91Å; V85-Y87 HydrophobicContact CG1-CE2 3.52Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.29Å
86	Y	96.6	Very high	89.9	Confident	5 Å²	5	58.8 Å²	58.8	2%	0.02	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.9	179.2	-71.3	-90.9	0	0	0	109.8	L12 V29 K30 I40 M73 L75 D82 A84 G98 T99 L101	L12-Y86 HydrophobicContact CD1-CD1 4.27Å; L12-Y86 HydrophobicContact CD1-CD2 4.03Å; L12-Y86 HydrophobicContact CD1-CG 3.7Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.38Å; K30-Y86 HydrophobicContact CB-CD1 4.13Å; K30-Y86 HydrophobicContact CB-CE1 3.91Å; K30-Y86 HydrophobicContact CD-CE1 4.01Å; K30-Y86 HydrophobicContact CG-CD1 4.36Å; K30-Y86 HydrophobicContact CG-CE1 3.85Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.8Å; M73-Y86 HydrophobicContact CE-CD1 3.39Å; M73-Y86 HydrophobicContact CE-CE1 4.12Å; M73-Y86 HydrophobicContact CE-CG 4.03Å; L75-Y86 HydrophobicContact CD1-CD1 4.14Å; L75-Y86 HydrophobicContact CD1-CE1 3.5Å; L75-Y86 HydrophobicContact CD1-CE2 4.09Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.46Å; L75-Y86 HydrophobicContact CD2-CE1 4.44Å; D82-Y86 WeakPolarHBondContact O-CE2 2.92Å; D82-Y86 PolarHBondContact O-OH 3.45Å; A84-Y86 HydrophobicContact CB-CD2 4.39Å; A84-Y86 HydrophobicContact CB-CE2 3.86Å; Y86-G98 CarbonylContact O-C 3.5Å; Y86-G98 WeakPolarHBondContact O-CA 3.32Å; Y86-T99 PolarHBondContact N-O 3.39Å; Y86-T99 PolarHBondContact O-N 2.6Å; Y86-L101 HydrophobicContact CD2-CB 3.86Å; Y86-L101 HydrophobicContact CD2-CD2 4.3Å; Y86-L101 HydrophobicContact CE2-CB 3.76Å; Y86-L101 HydrophobicContact CE2-CD2 3.63Å; Y86-L101 HydrophobicContact CE2-CG 4.33Å
87	Y	95.1	Very high	89.6	Confident	46 Å²	46	66.6 Å²	66.6	18%	0.18	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	148.5	-177	-62.1	-85.6	0	0	0	111.2	V29 Q31 V85 W95 G98	V29-Y87 PolarHBondContact N-O 3.49Å; V29-Y87 PolarHBondContact O-N 3.47Å; Q31-Y87 HydrophobicContact CB-CD2 4.24Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 PolarHBondContact OE1-OH 2.84Å; V85-Y87 HydrophobicContact CB-CE2 3.67Å; V85-Y87 HydrophobicContact CG1-CD2 4.24Å; V85-Y87 HydrophobicContact CG1-CE1 3.91Å; V85-Y87 HydrophobicContact CG1-CE2 3.52Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.29Å; Y87-W95 HydrophobicContact CD1-CE3 4.49Å; Y87-W95 HydrophobicContact CG-CE3 4.23Å; Y87-W95 HydrophobicContact CG-CZ3 4.36Å; Y87-G98 VanDerWaalsContact CD1-CA 3.47Å
88	C	93.4	Very high	89.5	Confident	24 Å²	24	64 Å²	64	16%	0.162	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	136.6	165.3	-34.5	0	0	0	0	107	C14 M26 H27 L28 G96	C14-C88 HydrophobicContact CB-CB 3.53Å; C14-C88 WeakPolarHBondContact CB-SG 3.31Å; C14-C88 WeakPolarHBondContact SG-CB 3.35Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.79Å; M26-C88 HydrophobicContact SD-CB 3.94Å; H27-C88 CarbonylContact O-C 3.53Å; H27-C88 WeakPolarHBondContact O-CA 3.38Å; L28-C88 HydrophobicContact CD1-CB 4.43Å; C88-G96 PolarHBondContact O-N 3.15Å
89	A	91.6	Very high	89.5	Confident	5 Å²	5	66.4 Å²	66.4	4%	0.041	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.8	175.1	0	0	0	0	0	109.7	H27 Y94 W95	H27-A89 HydrophobicContact CB-CB 4.36Å; H27-A89 PolarHBondContact N-O 3Å; H27-A89 PolarHBondContact O-N 3.42Å; A89-Y94 CarbonylContact C-O 3.59Å; A89-Y94 VanDerWaalsContact CA-O 3.26Å; A89-Y94 WeakPolarHBondContact CA-O 3.18Å; A89-W95 HydrophobicContact CB-CD2 3.85Å; A89-W95 HydrophobicContact CB-CE3 3.98Å; A89-W95 HydrophobicContact CB-CG 4.36Å; A89-W95 HydrophobicContact CB-CH2 4.27Å; A89-W95 HydrophobicContact CB-CZ2 4.15Å; A89-W95 HydrophobicContact CB-CZ3 4.2Å
90	S	86.1	Confident	89.5	Confident	6 Å²	6	66.3 Å²	66.3	4%	0.042	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	139.3	169.6	64.3	0	0	0	0	107.6	Y19 Y94	Y19-S90 VanDerWaalsContact CZ-OG 3.25Å; Y19-S90 WeakPolarHBondContact OH-CB 3.29Å; Y19-S90 PolarHBondContact OH-OG 2.94Å; Y19-S90 VanDerWaalsContact OH-OG 3.12Å; S90-Y94 PolarHBondContact N-O 2.96Å; S90-Y94 VanDerWaalsContact O-CB 3.24Å; S90-Y94 WeakPolarHBondContact O-CB 3.37Å; S90-Y94 PolarHBondContact O-N 3.26Å; S90-Y94 VanDerWaalsContact O-O 3.13Å
91	W	75.4	Confident	89.6	Confident	141 Å²	141	62.5 Å²	62.5	53%	0.534	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	174.8	-170.5	-101.8	50.1	0	0	0	112.9	Y24 D93 Y94	Y24-W91 AromaticContact CD1-CD1 3.37Å; Y24-W91 AromaticContact CD1-NE1 3.07Å; Y24-W91 AromaticContact CD2-CD1 3.68Å; Y24-W91 AromaticContact CD2-NE1 3.79Å; Y24-W91 AromaticContact CE1-CD1 3.64Å; Y24-W91 AromaticContact CE1-CE2 3.82Å; Y24-W91 HydrophobicContact CE1-CZ2 4.27Å; Y24-W91 AromaticContact CE1-NE1 2.84Å; Y24-W91 AromaticContact CE2-CD1 3.88Å; Y24-W91 AromaticContact CE2-NE1 3.56Å; Y24-W91 AromaticContact CG-CD1 3.4Å; Y24-W91 AromaticContact CG-NE1 3.56Å; Y24-W91 AromaticContact CZ-CD1 3.85Å; Y24-W91 AromaticContact CZ-CE2 3.75Å; Y24-W91 AromaticContact CZ-NE1 3.07Å; W91-D93 VanDerWaalsContact C-N 3.26Å; W91-D93 PolarHBondContact O-N 3.33Å; W91-Y94 HydrophobicContact CB-CD2 4Å
92	V	65.8	Low	89.8	Confident	125 Å²	125	58.9 Å²	58.9	76%	0.758	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-27.1	-178.6	-167.5	0	0	0	0	111.4
93	D	72.2	Confident	89.8	Confident	123 Å²	123	59 Å²	59	66%	0.658	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	-14	-167.5	-54.8	-47.4	0	0	0	115.5	W91	W91-D93 VanDerWaalsContact C-N 3.26Å; W91-D93 PolarHBondContact O-N 3.33Å
94	Y	83.3	Confident	89.4	Confident	144 Å²	144	59.5 Å²	59.5	57%	0.565	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	111	-179	-60.9	-90.3	0	0	0	112	A89 S90 W91	A89-Y94 CarbonylContact C-O 3.59Å; A89-Y94 VanDerWaalsContact CA-O 3.26Å; A89-Y94 WeakPolarHBondContact CA-O 3.18Å; S90-Y94 PolarHBondContact N-O 2.96Å; S90-Y94 VanDerWaalsContact O-CB 3.24Å; S90-Y94 WeakPolarHBondContact O-CB 3.37Å; S90-Y94 PolarHBondContact O-N 3.26Å; S90-Y94 VanDerWaalsContact O-O 3.13Å; W91-Y94 HydrophobicContact CB-CD2 4Å
95	W	88.9	Confident	88.3	Confident	122 Å²	122	67.2 Å²	67.2	46%	0.462	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	136.6	175	-70.3	75.4	0	0	0	110.5	V29 L37 Y87 A89	V29-W95 HydrophobicContact CB-CH2 4.46Å; V29-W95 HydrophobicContact CB-CZ3 4.14Å; V29-W95 HydrophobicContact CG1-CH2 4.38Å; V29-W95 HydrophobicContact CG1-CZ3 4.28Å; V29-W95 HydrophobicContact CG2-CH2 4.03Å; V29-W95 HydrophobicContact CG2-CZ3 4.09Å; L37-W95 HydrophobicContact CD1-CH2 3.87Å; L37-W95 HydrophobicContact CD1-CZ2 4.5Å; L37-W95 HydrophobicContact CD1-CZ3 4.42Å; Y87-W95 HydrophobicContact CD1-CE3 4.49Å; Y87-W95 HydrophobicContact CG-CE3 4.23Å; Y87-W95 HydrophobicContact CG-CZ3 4.36Å; A89-W95 HydrophobicContact CB-CD2 3.85Å; A89-W95 HydrophobicContact CB-CE3 3.98Å; A89-W95 HydrophobicContact CB-CG 4.36Å; A89-W95 HydrophobicContact CB-CH2 4.27Å; A89-W95 HydrophobicContact CB-CZ2 4.15Å; A89-W95 HydrophobicContact CB-CZ3 4.2Å
96	G	89.4	Confident	87.9	Confident	35 Å²	35	69 Å²	69	36%	0.361	37%	0.374	S	S	.	.			trans	-68.3	161	166.8	0	0	0	0	0	111.1	C88 G98	C88-G96 PolarHBondContact O-N 3.15Å; G96-G98 PolarHBondContact O-N 3.24Å
97	Q	91.1	Very high	87.4	Confident	200 Å²	200	72.4 Å²	72.4	94%	0.935	39%	0.393	S	S	*	.			trans	-60.6	-20.4	178.9	-66.9	-177.9	-22.1	0	0	113.5
98	G	92.8	Very high	87	Confident	26 Å²	26	73.8 Å²	73.8	27%	0.268	41%	0.405	S	S	.	.			trans	83.6	151	-177.6	0	0	0	0	0	112.6	Y86 Y87 G96	Y86-G98 CarbonylContact O-C 3.5Å; Y86-G98 WeakPolarHBondContact O-CA 3.32Å; Y87-G98 VanDerWaalsContact CD1-CA 3.47Å; G96-G98 PolarHBondContact O-N 3.24Å
99	T	95.1	Very high	86.6	Confident	49 Å²	49	76.8 Å²	76.8	30%	0.301	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	116.2	176.9	-58.6	0	0	0	0	109	L12 Y86 L101	L12-T99 HydrophobicContact CD2-CG2 3.85Å; Y86-T99 PolarHBondContact N-O 3.39Å; Y86-T99 PolarHBondContact O-N 2.6Å; T99-L101 PolarHBondContact O-N 2.66Å
100	T	96.1	Very high	86.3	Confident	55 Å²	55	81.3 Å²	81.3	34%	0.337	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	119.6	171.3	-48.5	0	0	0	0	109.6	T1 E2	T1-T100 CarbonylContact C-O 3.56Å; T1-T100 WeakPolarHBondContact CA-O 3.28Å; T1-T100 HydrophobicContact CG2-CG2 4.01Å; E2-T100 PolarHBondContact N-O 3.21Å
101	L	95.1	Very high	86.3	Confident	1 Å²	1	86.3 Å²	86.3	1%	0.005	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.5	171.3	-178.9	68	0	0	0	108.6	E2 V4 V10 L75 L78 S83 A84 Y86 T99	E2-L101 HydrophobicContact CB-CD1 4Å; E2-L101 HydrophobicContact CG-CD1 4.26Å; V4-L101 HydrophobicContact CG1-CD1 4.06Å; V4-L101 HydrophobicContact CG2-CD1 3.87Å; V10-L101 HydrophobicContact CB-CD1 4.46Å; V10-L101 HydrophobicContact CG1-CD1 4.12Å; V10-L101 HydrophobicContact CG1-CD2 3.91Å; V10-L101 HydrophobicContact CG2-CD1 4.24Å; L75-L101 HydrophobicContact CD1-CD2 4.06Å; L78-L101 HydrophobicContact CD1-CD2 4.23Å; L78-L101 HydrophobicContact CD2-CD2 4.02Å; S83-L101 CarbonylContact C-O 3.43Å; S83-L101 VanDerWaalsContact CA-O 3.26Å; S83-L101 WeakPolarHBondContact CA-O 3.45Å; A84-L101 PolarHBondContact N-O 3.45Å; A84-L101 PolarHBondContact O-N 2.95Å; Y86-L101 HydrophobicContact CD2-CB 3.86Å; Y86-L101 HydrophobicContact CD2-CD2 4.3Å; Y86-L101 HydrophobicContact CE2-CB 3.76Å; Y86-L101 HydrophobicContact CE2-CD2 3.63Å; Y86-L101 HydrophobicContact CE2-CG 4.33Å; T99-L101 PolarHBondContact O-N 2.66Å
102	T	95.7	Very high	87.1	Confident	53 Å²	53	82.4 Å²	82.4	33%	0.325	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123.2	175.7	-57.1	0	0	0	0	108.8	E2 L3 V4	E2-T102 PolarHBondContact O-N 3.49Å; L3-T102 WeakPolarHBondContact CA-O 3.36Å; L3-T102 HydrophobicContact CD1-CG2 3.85Å; V4-T102 PolarHBondContact N-O 3.23Å
103	V	93.8	Very high	88.7	Confident	7 Å²	7	79.1 Å²	79.1	4%	0.042	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	108.3	175	-171.8	0	0	0	0	107.8	V4 P6 L78 T79 D82 S83	V4-V103 HydrophobicContact CG2-CB 4.28Å; V4-V103 HydrophobicContact CG2-CG1 4.39Å; V4-V103 HydrophobicContact CG2-CG2 3.76Å; V4-V103 WeakPolarHBondContact O-CA 3.47Å; P6-V103 HydrophobicContact CB-CG1 4.4Å; P6-V103 HydrophobicContact CG-CG1 4.23Å; L78-V103 HydrophobicContact CB-CG1 4.39Å; L78-V103 HydrophobicContact CB-CG2 4.01Å; T79-V103 WeakPolarHBondContact O-CB 3.41Å; T79-V103 VanDerWaalsContact O-CG2 3.31Å; T79-V103 WeakPolarHBondContact O-CG2 3.21Å; D82-V103 HydrophobicContact CB-CG2 4.22Å; S83-V103 PolarHBondContact OG-N 3.42Å
104	S	87.6	Confident	90.1	Very high	47 Å²	47	75.4 Å²	75.4	33%	0.329	42%	0.424	S	S	.	.			trans	-69.1	134	179.5	59.3	0	0	0	0	110.1	V4 P6	V4-S104 PolarHBondContact O-N 2.63Å; V4-S104 PolarHBondContact O-OG 2.95Å; P6-S104 WeakPolarHBondContact CD-O 3.4Å; P6-S104 WeakPolarHBondContact CG-O 3.25Å
105	S	72.7	Confident	90.7	Very high	166 Å²	166	69.2 Å²	69.2	100%	1.161	41%	0.411	S	S	*	.			trans	-66	0	171	54.8	0	0	0	0	112.6

Retrieved 105 of 105 residues in 24.3 ms (Link to these results)

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