X5J501_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J501, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 111 aa.

						>X5J501_MOUSE|X5J501
AELVKPGASVKMSCKASGYTFTSYWITWVKQRPGQSLEWIGDIYPGSGSTNYNEKFKSKATLTVDTSSSTAYMQLSSLTSEDSAVYYCARGDGKGYYAMDYWGQGTSVTVS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	A	77.9	Confident	93.8	Very high	119 Å²	119	77.1 Å²	77.1	98%	0.983	46%	0.464	S	S	*	.				0	141.6	0	0	0	0	0	0	107.8	S107	A1-S107 CarbonylContact C-O 3.37Å; A1-S107 WeakPolarHBondContact CA-O 3.49Å
2	E	87.9	Confident	94	Very high	74 Å²	74	71.4 Å²	71.4	35%	0.346	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	124.6	-175.2	-158.8	173.3	150.7	0	0	109.8	V4 V10 S107 V108 T109	E2-V4 HydrophobicContact CG-CG1 3.82Å; E2-V10 VanDerWaalsContact OE1-CG2 3.25Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.47Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.45Å; E2-S107 PolarHBondContact N-O 3.26Å; E2-V108 CarbonylContact O-C 3.57Å; E2-V108 WeakPolarHBondContact O-CA 3.38Å; E2-T109 PolarHBondContact O-N 3.33Å
3	L	94.7	Very high	94.2	Very high	127 Å²	127	71.6 Å²	71.6	67%	0.665	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.9	175.3	-177.6	66.3	0	0	0	108.2	T109 S111	L3-T109 WeakPolarHBondContact CA-O 3.33Å; L3-T109 HydrophobicContact CD1-CG2 3.76Å; L3-S111 WeakPolarHBondContact CD1-OG 3.46Å
4	V	95.7	Very high	94.4	Very high	17 Å²	17	67.8 Å²	67.8	10%	0.103	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	153	-173.7	-59.9	0	0	0	0	111.2	E2 A8 L78 V108 T109 V110 S111	E2-V4 HydrophobicContact CG-CG1 3.82Å; V4-A8 HydrophobicContact CB-CB 4.22Å; V4-L78 HydrophobicContact CG2-CD1 3.55Å; V4-V108 HydrophobicContact CG2-CG1 4.15Å; V4-T109 PolarHBondContact N-O 3.41Å; V4-V110 HydrophobicContact CG2-CB 4.38Å; V4-V110 HydrophobicContact CG2-CG1 4.43Å; V4-V110 HydrophobicContact CG2-CG2 3.82Å; V4-V110 WeakPolarHBondContact O-CA 3.4Å; V4-S111 PolarHBondContact O-N 3.18Å; V4-S111 VanDerWaalsContact O-N 3.15Å
5	K	96	Very high	94.4	Very high	163 Å²	163	73.7 Å²	73.7	71%	0.709	43%	0.431	S	S	*	.			trans	-79	152.2	176	-64.1	-177.8	-179.2	-179.6	0	110.7	G7 A8	K5-G7 PolarHBondContact O-N 3Å; K5-A8 WeakPolarHBondContact O-CB 3.32Å; K5-A8 PolarHBondContact O-N 3.2Å; K5-A8 VanDerWaalsContact O-N 3.11Å
6	P	97	Very high	94.3	Very high	81 Å²	81	69.9 Å²	69.9	53%	0.526	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	139.5	168.9	-25.8	34.4	0	0	0	112.1	A8 L78 V110	P6-A8 VanDerWaalsContact C-N 3.25Å; P6-A8 PolarHBondContact O-N 2.9Å; P6-L78 WeakPolarHBondContact CA-O 3.21Å; P6-V110 HydrophobicContact CB-CG1 4.41Å; P6-V110 HydrophobicContact CG-CG1 4.16Å
7	G	95.8	Very high	94.1	Very high	52 Å²	52	71.9 Å²	71.9	54%	0.536	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-10.5	-176.3	0	0	0	0	0	114.9	K5 L78	K5-G7 PolarHBondContact O-N 3Å; G7-L78 PolarHBondContact N-O 2.87Å
8	A	96.6	Very high	93.8	Very high	33 Å²	33	72.9 Å²	72.9	27%	0.273	46%	0.458	S	S	.	.			trans	-67.9	165.9	175.7	0	0	0	0	0	112.1	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.22Å; K5-A8 WeakPolarHBondContact O-CB 3.32Å; K5-A8 PolarHBondContact O-N 3.2Å; K5-A8 VanDerWaalsContact O-N 3.11Å; P6-A8 VanDerWaalsContact C-N 3.25Å; P6-A8 PolarHBondContact O-N 2.9Å; A8-S77 PolarHBondContact O-N 2.88Å; A8-L78 WeakPolarHBondContact O-CB 3.47Å; A8-L78 WeakPolarHBondContact O-CG 3.04Å; A8-L78 PolarHBondContact O-N 2.72Å
9	S	96.8	Very high	93.4	Very high	63 Å²	63	72.2 Å²	72.2	44%	0.441	45%	0.446	S	S	.	.			trans	-114.7	142.7	169.8	-57.2	0	0	0	0	110.1	L75 S76	S9-L75 CarbonylContact C-O 3.52Å; S9-L75 WeakPolarHBondContact CA-O 3.36Å; S9-L75 WeakPolarHBondContact CB-O 3.13Å; S9-S76 WeakPolarHBondContact OG-CA 3.07Å
10	V	96.7	Very high	93.3	Very high	2 Å²	2	73.1 Å²	73.1	1%	0.012	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	140	175	63.4	0	0	0	0	109.9	E2 M12 Q74 L75 L78	E2-V10 VanDerWaalsContact OE1-CG2 3.25Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.47Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.45Å; V10-M12 HydrophobicContact CG1-CE 4.15Å; V10-Q74 CarbonylContact O-C 3.58Å; V10-Q74 VanDerWaalsContact O-CA 3.27Å; V10-Q74 WeakPolarHBondContact O-CA 3.45Å; V10-L75 HydrophobicContact CG1-CB 3.91Å; V10-L75 HydrophobicContact CG1-CD1 4.21Å; V10-L75 HydrophobicContact CG1-CG 4.48Å; V10-L75 PolarHBondContact N-O 2.93Å; V10-L75 PolarHBondContact O-N 2.85Å; V10-L78 HydrophobicContact CB-CD1 4.14Å; V10-L78 HydrophobicContact CG1-CD1 3.76Å; V10-L78 HydrophobicContact CG1-CD2 4.48Å
11	K	97	Very high	93.3	Very high	117 Å²	117	69.9 Å²	69.9	51%	0.509	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	114.9	172	-173.9	178.2	-179.2	178.4	0	109.5	Y72 M73 Q74	K11-Y72 HydrophobicContact CD-CD1 4.45Å; K11-Y72 HydrophobicContact CG-CD1 4.4Å; K11-M73 WeakPolarHBondContact CA-O 3.4Å; K11-Q74 HydrophobicContact CG-CB 4.49Å
12	M	96.1	Very high	94	Very high	9 Å²	9	67 Å²	67	4%	0.044	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	152	175.7	58.7	-170.5	82.4	0	0	111.2	V10 W28 Y72 M73 L75 Y86 V108	V10-M12 HydrophobicContact CG1-CE 4.15Å; M12-W28 HydrophobicContact CB-CH2 4.46Å; M12-W28 HydrophobicContact CB-CZ3 4.35Å; M12-W28 HydrophobicContact CG-CE3 4.22Å; M12-W28 HydrophobicContact CG-CH2 3.77Å; M12-W28 HydrophobicContact CG-CZ3 3.47Å; M12-W28 VanDerWaalsContact CG-CZ3 3.47Å; M12-W28 HydrophobicContact SD-CE3 3.94Å; M12-W28 HydrophobicContact SD-CH2 4.45Å; M12-W28 HydrophobicContact SD-CZ3 3.57Å; M12-W28 VanDerWaalsContact SD-CZ3 3.57Å; M12-Y72 WeakPolarHBondContact O-CA 3.23Å; M12-Y72 WeakPolarHBondContact O-CB 3.29Å; M12-M73 HydrophobicContact CE-CE 3.48Å; M12-M73 VanDerWaalsContact CE-CE 3.48Å; M12-M73 HydrophobicContact CG-CB 3.89Å; M12-M73 HydrophobicContact CG-CE 4.06Å; M12-M73 WeakPolarHBondContact CG-O 3.34Å; M12-M73 PolarHBondContact N-O 2.96Å; M12-M73 PolarHBondContact O-N 3.15Å; M12-M73 HydrophobicContact SD-CB 4.48Å; M12-M73 HydrophobicContact SD-CE 3.18Å; M12-M73 WeakPolarHBondContact SD-CE 3.49Å; M12-L75 HydrophobicContact CE-CD1 3.78Å; M12-L75 HydrophobicContact CE-CG 4.43Å; M12-Y86 HydrophobicContact CE-CD1 4.19Å; M12-Y86 HydrophobicContact CE-CD2 4.08Å; M12-Y86 HydrophobicContact CE-CG 3.79Å; M12-Y86 VanDerWaalsContact SD-CB 3.5Å; M12-Y86 HydrophobicContact SD-CD1 4.45Å; M12-Y86 HydrophobicContact SD-CG 4.04Å; M12-V108 HydrophobicContact CE-CG2 4.33Å
13	S	96.8	Very high	94.2	Very high	74 Å²	74	66.3 Å²	66.3	52%	0.517	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	148.5	-178	68.1	0	0	0	0	111.1	A71 Y72	S13-A71 CarbonylContact C-O 3.52Å; S13-A71 WeakPolarHBondContact CA-O 3.13Å; S13-Y72 VanDerWaalsContact CB-CD1 3.48Å; S13-Y72 VanDerWaalsContact CB-CE1 3.42Å
14	C	96	Very high	93.9	Very high	18 Å²	18	63.8 Å²	63.8	12%	0.122	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	102	174.9	-177.1	0	0	0	0	108	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.69Å; C14-W28 HydrophobicContact CB-CZ2 3.82Å; C14-T70 WeakPolarHBondContact O-CA 3.49Å; C14-A71 HydrophobicContact CB-CB 4.48Å; C14-A71 PolarHBondContact N-O 2.81Å; C14-A71 PolarHBondContact O-N 2.86Å; C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 3.4Å; C14-C88 WeakPolarHBondContact SG-CB 3.32Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.25Å
15	K	95.7	Very high	93.8	Very high	156 Å²	156	65.3 Å²	65.3	68%	0.678	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	123	-179.5	-173.5	172.9	-176.6	177.6	0	110.2	T70	K15-T70 HydrophobicContact CB-CG2 4.44Å
16	A	92.4	Very high	93.7	Very high	13 Å²	13	57.6 Å²	57.6	11%	0.107	36%	0.357	C	S	.	.			trans	-77.6	150.1	176.2	0	0	0	0	0	111.8	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.77Å; A16-Y19 HydrophobicContact CB-CE2 4.15Å; A16-Y19 VanDerWaalsContact CB-CZ 3.46Å; A16-Y19 VanDerWaalsContact CB-OH 3.25Å; A16-Y19 WeakPolarHBondContact CB-OH 3.5Å; A16-F21 HydrophobicContact CB-CB 4.07Å; A16-F21 HydrophobicContact CB-CD2 3.25Å; A16-F21 HydrophobicContact CB-CE2 3.87Å; A16-F21 HydrophobicContact CB-CG 3.93Å; A16-S69 PolarHBondContact N-O 3.25Å
17	S	90.3	Very high	93.6	Very high	104 Å²	104	54.1 Å²	54.1	73%	0.727	33%	0.334	S	S	*	.			trans	-150	144.6	173.3	62.5	0	0	0	0	110.1	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.38Å; S17-Y19 PolarHBondContact O-N 3.04Å
18	G	88.6	Confident	93.6	Very high	91 Å²	91	51.9 Å²	51.9	94%	0.938	31%	0.31	S	S	*	.	S	Bend	trans	78.4	11.9	174.6	0	0	0	0	0	116.4
19	Y	86.8	Confident	93.6	Very high	59 Å²	59	50.5 Å²	50.5	23%	0.231	30%	0.298	C	S	.	.	S	Bend	trans	-154.9	165.4	174.7	64.9	-85.5	0	0	0	112.5	A16 S17 F21 Y24 I26 R90	A16-Y19 HydrophobicContact CB-CE1 3.77Å; A16-Y19 HydrophobicContact CB-CE2 4.15Å; A16-Y19 VanDerWaalsContact CB-CZ 3.46Å; A16-Y19 VanDerWaalsContact CB-OH 3.25Å; A16-Y19 WeakPolarHBondContact CB-OH 3.5Å; S17-Y19 WeakPolarHBondContact O-CD1 3.38Å; S17-Y19 PolarHBondContact O-N 3.04Å; Y19-F21 HydrophobicContact CE2-CD2 4.32Å; Y19-F21 PolarHBondContact O-N 3.07Å; Y19-Y24 AromaticContact CD2-CD2 3.48Å; Y19-Y24 HydrophobicContact CD2-CD2 3.48Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.48Å; Y19-Y24 AromaticContact CD2-CE2 3.9Å; Y19-Y24 HydrophobicContact CD2-CE2 3.9Å; Y19-Y24 HydrophobicContact CD2-CG 4.3Å; Y19-Y24 AromaticContact CE2-CD2 3.91Å; Y19-Y24 HydrophobicContact CE2-CD2 3.91Å; Y19-Y24 HydrophobicContact CE2-CG 4.35Å; Y19-Y24 HydrophobicContact CG-CD2 4.48Å; Y19-I26 WeakPolarHBondContact OH-CD1 3.41Å; Y19-R90 HydrophobicContact CE2-CG 4.14Å
20	T	91.6	Very high	93.6	Very high	90 Å²	90	47.6 Å²	47.6	55%	0.552	28%	0.277	S	S	*	.			trans	-70.1	95.7	173.1	-51.7	0	0	0	0	110.1	T22 S23 Y24	T20-T22 PolarHBondContact O-N 3.01Å; T20-T22 VanDerWaalsContact O-N 3.13Å; T20-S23 WeakPolarHBondContact CG2-OG 3.38Å; T20-S23 PolarHBondContact O-N 3.21Å; T20-Y24 WeakPolarHBondContact O-CD2 3.36Å
21	F	92.2	Very high	93.6	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.026	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-53.9	-34.8	-174.3	177.8	-119.7	0	0	0	114.2	A16 Y19 S23 I26 P45 V64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.07Å; A16-F21 HydrophobicContact CB-CD2 3.25Å; A16-F21 HydrophobicContact CB-CE2 3.87Å; A16-F21 HydrophobicContact CB-CG 3.93Å; Y19-F21 HydrophobicContact CE2-CD2 4.32Å; Y19-F21 PolarHBondContact O-N 3.07Å; F21-S23 PolarHBondContact O-N 2.9Å; F21-I26 HydrophobicContact CD2-CD1 4.08Å; F21-I26 HydrophobicContact CD2-CG1 4.4Å; F21-I26 HydrophobicContact CE2-CD1 3.66Å; F21-I26 HydrophobicContact CE2-CG1 3.61Å; F21-I26 HydrophobicContact CZ-CG1 4.24Å; F21-P45 HydrophobicContact CD1-CB 3.84Å; F21-P45 HydrophobicContact CD1-CG 4.14Å; F21-P45 HydrophobicContact CD2-CG 4.22Å; F21-P45 HydrophobicContact CE1-CB 3.62Å; F21-P45 HydrophobicContact CE1-CG 3.75Å; F21-P45 HydrophobicContact CE2-CG 3.85Å; F21-P45 HydrophobicContact CG-CB 4.43Å; F21-P45 HydrophobicContact CG-CG 4.38Å; F21-P45 HydrophobicContact CZ-CB 4.02Å; F21-P45 HydrophobicContact CZ-CG 3.59Å; F21-P45 WeakPolarHBondContact O-CG 3.49Å; F21-V64 HydrophobicContact CE1-CG2 3.32Å; F21-V64 HydrophobicContact CZ-CG2 3.57Å; F21-S69 VanDerWaalsContact CD1-CA 3.43Å; F21-S69 VanDerWaalsContact CE1-C 3.5Å; F21-A71 HydrophobicContact CE2-CB 4.45Å; F21-A71 HydrophobicContact CZ-CB 4.03Å
22	T	93.8	Very high	93.5	Very high	57 Å²	57	47.6 Å²	47.6	35%	0.35	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-73.6	-4.1	-179.3	52	0	0	0	0	115.3	T20 Y44 G46 T66	T20-T22 PolarHBondContact O-N 3.01Å; T20-T22 VanDerWaalsContact O-N 3.13Å; T22-Y44 PolarHBondContact O-OH 2.94Å; T22-G46 VanDerWaalsContact O-CA 3.32Å; T22-G46 WeakPolarHBondContact O-CA 3.37Å; T22-G46 PolarHBondContact O-N 2.81Å; T22-T66 HydrophobicContact CG2-CG2 3.98Å
23	S	91	Very high	93.3	Very high	61 Å²	61	52.8 Å²	52.8	43%	0.427	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-103.8	-0.2	-177	-54.3	0	0	0	0	114.4	T20 F21	T20-S23 WeakPolarHBondContact CG2-OG 3.38Å; T20-S23 PolarHBondContact O-N 3.21Å; F21-S23 PolarHBondContact O-N 2.9Å
24	Y	90.2	Very high	93.1	Very high	74 Å²	74	53.7 Å²	53.7	29%	0.29	33%	0.332	S	S	.	.	S	Bend	trans	-133.3	149.6	-173.6	-65.1	-87.8	0	0	0	112.1	Y19 T20 P45 R90	Y19-Y24 AromaticContact CD2-CD2 3.48Å; Y19-Y24 HydrophobicContact CD2-CD2 3.48Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.48Å; Y19-Y24 AromaticContact CD2-CE2 3.9Å; Y19-Y24 HydrophobicContact CD2-CE2 3.9Å; Y19-Y24 HydrophobicContact CD2-CG 4.3Å; Y19-Y24 AromaticContact CE2-CD2 3.91Å; Y19-Y24 HydrophobicContact CE2-CD2 3.91Å; Y19-Y24 HydrophobicContact CE2-CG 4.35Å; Y19-Y24 HydrophobicContact CG-CD2 4.48Å; T20-Y24 WeakPolarHBondContact O-CD2 3.36Å; Y24-P45 WeakPolarHBondContact O-CD 3.42Å; Y24-R90 HydrophobicContact CD1-CG 4.11Å; Y24-R90 HydrophobicContact CG-CG 3.95Å
25	W	92.8	Very high	92.9	Very high	49 Å²	49	57.5 Å²	57.5	19%	0.186	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	141.6	170.5	-70.7	81.5	0	0	0	110	D42 I43 Y44 S49 N51 R90 G91	W25-D42 HydrophobicContact CE3-CB 3.9Å; W25-D42 WeakPolarHBondContact CZ3-OD1 3.2Å; W25-I43 VanDerWaalsContact CE3-C 3.46Å; W25-Y44 AromaticContact CD1-CD2 3.63Å; W25-Y44 HydrophobicContact CD2-CD2 4Å; W25-Y44 HydrophobicContact CD2-CG 4.27Å; W25-Y44 AromaticContact CE2-CD2 3.8Å; W25-Y44 AromaticContact CE2-CG 3.97Å; W25-Y44 AromaticContact CG-CD2 3.93Å; W25-Y44 HydrophobicContact CG-CD2 3.93Å; W25-Y44 HydrophobicContact CZ2-CD2 4.47Å; W25-Y44 HydrophobicContact CZ2-CG 4.21Å; W25-Y44 AromaticContact NE1-CD2 3.55Å; W25-S49 WeakPolarHBondContact CZ3-O 3.5Å; W25-N51 WeakPolarHBondContact CH2-ND2 3.09Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.44Å; W25-R90 WeakPolarHBondContact O-CA 3.37Å; W25-G91 PolarHBondContact N-O 2.85Å; W25-G91 PolarHBondContact O-N 2.67Å
26	I	94.3	Very high	92.8	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	113.4	170.6	-49.9	-60.6	0	0	0	107.8	Y19 F21 D42 I43 P45 A71 C88 A89	Y19-I26 WeakPolarHBondContact OH-CD1 3.41Å; F21-I26 HydrophobicContact CD2-CD1 4.08Å; F21-I26 HydrophobicContact CD2-CG1 4.4Å; F21-I26 HydrophobicContact CE2-CD1 3.66Å; F21-I26 HydrophobicContact CE2-CG1 3.61Å; F21-I26 HydrophobicContact CZ-CG1 4.24Å; I26-D42 CarbonylContact O-C 3.57Å; I26-D42 WeakPolarHBondContact O-CA 3.43Å; I26-D42 WeakPolarHBondContact O-CB 3.41Å; I26-I43 HydrophobicContact CB-CG2 4.15Å; I26-I43 PolarHBondContact N-O 3.21Å; I26-I43 PolarHBondContact O-N 3.11Å; I26-P45 HydrophobicContact CG1-CG 3.89Å; I26-A71 HydrophobicContact CB-CB 4.04Å; I26-A71 HydrophobicContact CG1-CB 4.12Å; I26-A71 HydrophobicContact CG2-CB 3.75Å; I26-C88 HydrophobicContact CG2-CB 4.3Å; I26-A89 WeakPolarHBondContact CA-O 2.93Å
27	T	94.6	Very high	92.8	Very high	8 Å²	8	58 Å²	58	5%	0.049	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	139.5	-176.6	-55.5	0	0	0	0	110.7	V29 D42 C88 A89 M99	T27-V29 HydrophobicContact CG2-CG2 4.17Å; T27-D42 HydrophobicContact CG2-CB 4.45Å; T27-C88 CarbonylContact O-C 3.5Å; T27-C88 WeakPolarHBondContact O-CA 3.42Å; T27-A89 PolarHBondContact N-O 2.8Å; T27-A89 PolarHBondContact O-N 2.92Å; T27-M99 HydrophobicContact CG2-CE 3.3Å; T27-M99 HydrophobicContact CG2-SD 4.24Å
28	W	96.3	Very high	93.1	Very high	5 Å²	5	54.6 Å²	54.6	2%	0.019	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	136.1	175.9	-67	90.9	0	0	0	111	M12 C14 I40 G41 L62 A71 M73 Y87 C88	M12-W28 HydrophobicContact CB-CH2 4.46Å; M12-W28 HydrophobicContact CB-CZ3 4.35Å; M12-W28 HydrophobicContact CG-CE3 4.22Å; M12-W28 HydrophobicContact CG-CH2 3.77Å; M12-W28 HydrophobicContact CG-CZ3 3.47Å; M12-W28 VanDerWaalsContact CG-CZ3 3.47Å; M12-W28 HydrophobicContact SD-CE3 3.94Å; M12-W28 HydrophobicContact SD-CH2 4.45Å; M12-W28 HydrophobicContact SD-CZ3 3.57Å; M12-W28 VanDerWaalsContact SD-CZ3 3.57Å; C14-W28 HydrophobicContact CB-CH2 3.69Å; C14-W28 HydrophobicContact CB-CZ2 3.82Å; W28-I40 HydrophobicContact CB-CB 4.19Å; W28-I40 HydrophobicContact CB-CD1 4.32Å; W28-I40 WeakPolarHBondContact O-CB 3.5Å; W28-I40 PolarHBondContact O-N 3.03Å; W28-G41 PolarHBondContact N-O 2.9Å; W28-L62 HydrophobicContact CG-CD2 4.09Å; W28-A71 HydrophobicContact CZ2-CB 4.38Å; W28-M73 HydrophobicContact CB-CE 4.46Å; W28-M73 HydrophobicContact CB-SD 3.9Å; W28-M73 HydrophobicContact CD2-CB 3.63Å; W28-M73 HydrophobicContact CD2-CE 4.34Å; W28-M73 HydrophobicContact CD2-SD 4.26Å; W28-M73 HydrophobicContact CE3-CB 3.93Å; W28-M73 HydrophobicContact CE3-CE 3.91Å; W28-M73 HydrophobicContact CE3-SD 4.42Å; W28-M73 HydrophobicContact CG-CB 4.09Å; W28-M73 HydrophobicContact CG-SD 4.06Å; W28-M73 HydrophobicContact CH2-CB 4.2Å; W28-M73 HydrophobicContact CZ2-CB 3.94Å; W28-M73 HydrophobicContact CZ3-CB 4.21Å; W28-Y87 WeakPolarHBondContact CA-O 3.42Å; W28-C88 HydrophobicContact CD2-CB 4.3Å; W28-C88 HydrophobicContact CE3-CB 4.05Å; W28-C88 HydrophobicContact CH2-CB 4.18Å; W28-C88 HydrophobicContact CZ2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 3.98Å
29	V	95.9	Very high	93.4	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.024	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	136.4	-172.7	178.2	0	0	0	0	109.7	T27 L37 E38 Y86 Y87 M99 W102	T27-V29 HydrophobicContact CG2-CG2 4.17Å; V29-L37 HydrophobicContact CG1-CB 3.72Å; V29-L37 HydrophobicContact CG1-CD2 3.84Å; V29-L37 HydrophobicContact CG1-CG 4.23Å; V29-E38 CarbonylContact C-O 3.53Å; V29-E38 WeakPolarHBondContact CA-O 2.99Å; V29-Y86 CarbonylContact O-C 3.45Å; V29-Y86 WeakPolarHBondContact O-CA 3.4Å; V29-Y87 PolarHBondContact N-O 3.05Å; V29-Y87 PolarHBondContact O-N 2.93Å; V29-M99 HydrophobicContact CG2-CE 4.37Å; V29-M99 HydrophobicContact CG2-SD 4.29Å; V29-W102 HydrophobicContact CB-CH2 4.24Å; V29-W102 HydrophobicContact CB-CZ3 3.97Å; V29-W102 HydrophobicContact CG1-CH2 4.18Å; V29-W102 HydrophobicContact CG1-CZ3 4.09Å; V29-W102 HydrophobicContact CG2-CH2 3.86Å; V29-W102 HydrophobicContact CG2-CZ3 3.99Å
30	K	96.4	Very high	93.8	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	139.6	173.1	-176.8	178.5	-177.4	178.1	0	109.9	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 2.89Å; K30-E38 PolarHBondContact O-N 3.11Å; K30-I40 HydrophobicContact CB-CD1 4.02Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; K30-F56 HydrophobicContact CD-CE1 3.9Å; K30-F56 HydrophobicContact CD-CZ 3.98Å; K30-E81 PolarHBondContact NZ-O 2.94Å; K30-D82 IonicContact NZ-OD1 3.88Å; K30-D82 PolarHBondContact NZ-OD1 3.47Å; K30-D82 VanDerWaalsContact NZ-OD1 3.1Å; K30-A84 HydrophobicContact CD-CB 4.25Å; K30-A84 HydrophobicContact CG-CB 3.6Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.89Å; K30-Y86 HydrophobicContact CD-CE1 3.95Å; K30-Y86 WeakPolarHBondContact CE-OH 3.1Å; K30-Y86 HydrophobicContact CG-CD1 4.28Å; K30-Y86 HydrophobicContact CG-CE1 3.73Å
31	Q	96.8	Very high	94	Very high	64 Å²	64	46.6 Å²	46.6	30%	0.299	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	116.1	171	-168.1	-178.7	32.5	0	0	110.4	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.78Å; Q31-L37 HydrophobicContact CG-CD2 3.83Å; Q31-A84 WeakPolarHBondContact O-CA 3.15Å; Q31-A84 WeakPolarHBondContact O-CB 3.26Å; Q31-V85 PolarHBondContact N-O 2.84Å; Q31-V85 PolarHBondContact O-N 2.89Å; Q31-Y87 HydrophobicContact CB-CD2 4.39Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.31Å; Q31-Y87 PolarHBondContact OE1-OH 3.13Å
32	R	95.4	Very high	94.1	Very high	56 Å²	56	47.3 Å²	47.3	21%	0.211	27%	0.271	C	S	.	.			trans	-83.8	151	168.5	-61.4	-166.2	-169.4	81.5	-0.1	110.2	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 3.45Å; R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 3.99Å; R32-Q35 PolarHBondContact O-N 2.78Å; R32-E38 IonicContact CZ-OE1 2.67Å; R32-E38 IonicContact NH1-OE1 3.1Å; R32-E38 PolarHBondContact NH1-OE1 2.81Å; R32-E38 IonicContact NH2-OE1 3.45Å; R32-E81 PolarHBondContact NE-O 2.79Å; R32-E81 PolarHBondContact NH2-O 3.23Å; R32-A84 HydrophobicContact CG-CB 4.24Å
33	P	91.1	Very high	94.2	Very high	118 Å²	118	44.8 Å²	44.8	77%	0.766	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	124.8	173.7	-25.7	34.6	0	0	0	111.3	Q35	P33-Q35 VanDerWaalsContact C-N 3.27Å; P33-Q35 PolarHBondContact O-N 2.83Å
34	G	92.3	Very high	94.4	Very high	93 Å²	93	45.1 Å²	45.1	96%	0.959	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.5	6.8	-179.9	0	0	0	0	0	116	R32	R32-G34 PolarHBondContact O-N 3.45Å
35	Q	93.1	Very high	94.7	Very high	98 Å²	98	41.8 Å²	41.8	46%	0.458	24%	0.235	S	C	.	.	S	Bend	trans	-112	161.7	177.6	-61.4	-171.3	-3.7	0	0	112.4	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 3.99Å; R32-Q35 PolarHBondContact O-N 2.78Å; P33-Q35 VanDerWaalsContact C-N 3.27Å; P33-Q35 PolarHBondContact O-N 2.83Å
36	S	92.4	Very high	94.7	Very high	94 Å²	94	41.7 Å²	41.7	66%	0.657	25%	0.249	S	C	*	.			trans	-65.4	163	172.3	58.9	0	0	0	0	111.9
37	L	93.8	Very high	94.8	Very high	85 Å²	85	45.2 Å²	45.2	45%	0.445	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	132	171.5	-62.7	176	0	0	0	110.4	V29 Q31 W102	V29-L37 HydrophobicContact CG1-CB 3.72Å; V29-L37 HydrophobicContact CG1-CD2 3.84Å; V29-L37 HydrophobicContact CG1-CG 4.23Å; Q31-L37 HydrophobicContact CB-CD2 3.78Å; Q31-L37 HydrophobicContact CG-CD2 3.83Å; L37-W102 HydrophobicContact CD1-CH2 3.76Å; L37-W102 HydrophobicContact CD1-CZ2 4.39Å; L37-W102 HydrophobicContact CD1-CZ3 4.31Å
38	E	95.3	Very high	94.7	Very high	32 Å²	32	46.7 Å²	46.7	15%	0.15	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	117.2	174.3	-67.9	-169	-88.5	0	0	109.6	V29 K30 R32 I40 K55 F56	V29-E38 CarbonylContact C-O 3.53Å; V29-E38 WeakPolarHBondContact CA-O 2.99Å; K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 2.89Å; K30-E38 PolarHBondContact O-N 3.11Å; R32-E38 IonicContact CZ-OE1 2.67Å; R32-E38 IonicContact NH1-OE1 3.1Å; R32-E38 PolarHBondContact NH1-OE1 2.81Å; R32-E38 IonicContact NH2-OE1 3.45Å; E38-I40 PolarHBondContact O-N 3.5Å; E38-K55 IonicContact OE2-NZ 3.59Å; E38-K55 PolarHBondContact OE2-NZ 2.03Å; E38-F56 HydrophobicContact CB-CE2 4.48Å; E38-F56 HydrophobicContact CB-CZ 4.46Å
39	W	94.9	Very high	94.7	Very high	72 Å²	72	49.3 Å²	49.3	27%	0.273	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	128.4	174.2	178.2	74.2	0	0	0	110.7	G41 D42 N51 N53	W39-G41 VanDerWaalsContact CZ2-CA 3.47Å; W39-D42 WeakPolarHBondContact CZ2-OD2 3.36Å; W39-N51 HydrophobicContact CH2-CB 4.03Å; W39-N51 HydrophobicContact CZ2-CB 4.19Å; W39-N53 HydrophobicContact CE3-CB 3.63Å; W39-N53 HydrophobicContact CZ3-CB 3.77Å; W39-N53 VanDerWaalsContact CZ3-N 3.27Å; W39-N53 VanDerWaalsContact O-CB 3.26Å; W39-N53 WeakPolarHBondContact O-CB 2.98Å; W39-N53 PolarHBondContact O-ND2 3.09Å
40	I	96.6	Very high	94.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-46.4	-179.8	-60.2	174.5	0	0	0	110.4	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.19Å; W28-I40 HydrophobicContact CB-CD1 4.32Å; W28-I40 WeakPolarHBondContact O-CB 3.5Å; W28-I40 PolarHBondContact O-N 3.03Å; K30-I40 HydrophobicContact CB-CD1 4.02Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; E38-I40 PolarHBondContact O-N 3.5Å; I40-N53 WeakPolarHBondContact O-CB 3.28Å; I40-N53 PolarHBondContact O-N 3.1Å; I40-F56 HydrophobicContact CB-CD2 4.34Å; I40-F56 HydrophobicContact CB-CG 4.3Å; I40-F56 HydrophobicContact CG1-CD1 4.27Å; I40-F56 HydrophobicContact CG1-CD2 4.27Å; I40-F56 HydrophobicContact CG1-CE1 4.27Å; I40-F56 HydrophobicContact CG1-CE2 4.25Å; I40-F56 HydrophobicContact CG1-CG 4.27Å; I40-F56 HydrophobicContact CG1-CZ 4.26Å; I40-F56 HydrophobicContact CG2-CB 3.71Å; I40-F56 HydrophobicContact CG2-CD1 4.24Å; I40-F56 HydrophobicContact CG2-CD2 4.36Å; I40-F56 HydrophobicContact CG2-CG 3.86Å; I40-A60 HydrophobicContact CG2-CB 3.75Å; I40-M73 HydrophobicContact CB-SD 4.47Å; I40-M73 HydrophobicContact CD1-CE 3.7Å; I40-M73 HydrophobicContact CD1-SD 3.66Å; I40-M73 HydrophobicContact CG2-SD 3.79Å; I40-Y86 HydrophobicContact CD1-CD1 3.73Å; I40-Y86 HydrophobicContact CD1-CE1 3.85Å
41	G	95.3	Very high	94.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.3	175.3	-170.9	0	0	0	0	0	111.3	W28 W39 N51	W28-G41 PolarHBondContact N-O 2.9Å; W39-G41 VanDerWaalsContact CZ2-CA 3.47Å; G41-N51 CarbonylContact C-O 3.48Å; G41-N51 WeakPolarHBondContact CA-O 3.25Å
42	D	94.6	Very high	94.6	Very high	22 Å²	22	55 Å²	55	12%	0.118	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	159.3	174.2	53.5	44.4	0	0	0	111.7	W25 I26 T27 W39 T50 N51 L62	W25-D42 HydrophobicContact CE3-CB 3.9Å; W25-D42 WeakPolarHBondContact CZ3-OD1 3.2Å; I26-D42 CarbonylContact O-C 3.57Å; I26-D42 WeakPolarHBondContact O-CA 3.43Å; I26-D42 WeakPolarHBondContact O-CB 3.41Å; T27-D42 HydrophobicContact CG2-CB 4.45Å; W39-D42 WeakPolarHBondContact CZ2-OD2 3.36Å; D42-T50 CarbonylContact O-C 3.58Å; D42-T50 VanDerWaalsContact O-CA 3.24Å; D42-T50 WeakPolarHBondContact O-CA 3.49Å; D42-N51 PolarHBondContact N-O 2.88Å; D42-N51 PolarHBondContact O-N 2.91Å; D42-N51 VanDerWaalsContact OD1-CB 3.28Å; D42-N51 WeakPolarHBondContact OD1-CB 3.07Å; D42-N51 PolarHBondContact OD1-N 3.48Å; D42-N51 PolarHBondContact OD1-ND2 2.83Å; D42-L62 WeakPolarHBondContact O-CD1 3.16Å
43	I	95.6	Very high	94.6	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.021	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134.5	176.5	-175.4	164.8	0	0	0	109.6	W25 I26 P45 S49 T50 L62 V64 A71	W25-I43 VanDerWaalsContact CE3-C 3.46Å; I26-I43 HydrophobicContact CB-CG2 4.15Å; I26-I43 PolarHBondContact N-O 3.21Å; I26-I43 PolarHBondContact O-N 3.11Å; I43-P45 WeakPolarHBondContact O-CD 2.95Å; I43-S49 CarbonylContact C-O 3.57Å; I43-S49 WeakPolarHBondContact CA-O 3.42Å; I43-T50 HydrophobicContact CB-CG2 4.06Å; I43-T50 HydrophobicContact CD1-CG2 3.87Å; I43-T50 HydrophobicContact CG1-CG2 3.83Å; I43-L62 HydrophobicContact CB-CB 4.16Å; I43-L62 HydrophobicContact CB-CD1 4.45Å; I43-L62 HydrophobicContact CD1-CB 4.31Å; I43-L62 HydrophobicContact CG2-CB 4.46Å; I43-V64 HydrophobicContact CD1-CB 3.97Å; I43-V64 HydrophobicContact CD1-CG1 4.06Å; I43-A71 HydrophobicContact CG2-CB 4.34Å
44	Y	95.2	Very high	94.8	Very high	67 Å²	67	55 Å²	55	26%	0.263	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	107.4	172.4	-170.2	-112.7	0	0	0	109.8	T22 W25 G46 S47 G48 S49	T22-Y44 PolarHBondContact O-OH 2.94Å; W25-Y44 AromaticContact CD1-CD2 3.63Å; W25-Y44 HydrophobicContact CD2-CD2 4Å; W25-Y44 HydrophobicContact CD2-CG 4.27Å; W25-Y44 AromaticContact CE2-CD2 3.8Å; W25-Y44 AromaticContact CE2-CG 3.97Å; W25-Y44 AromaticContact CG-CD2 3.93Å; W25-Y44 HydrophobicContact CG-CD2 3.93Å; W25-Y44 HydrophobicContact CZ2-CD2 4.47Å; W25-Y44 HydrophobicContact CZ2-CG 4.21Å; W25-Y44 AromaticContact NE1-CD2 3.55Å; Y44-G46 PolarHBondContact O-N 2.93Å; Y44-G46 VanDerWaalsContact O-N 3.14Å; Y44-S47 WeakPolarHBondContact CD1-OG 3.36Å; Y44-S47 PolarHBondContact O-N 3.11Å; Y44-G48 WeakPolarHBondContact O-CA 3.18Å; Y44-G48 PolarHBondContact O-N 3.36Å; Y44-S49 PolarHBondContact N-O 3.48Å
45	P	95.4	Very high	94.8	Very high	5 Å²	5	57.8 Å²	57.8	3%	0.032	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.3	-175.6	-26.7	39	0	0	0	114.2	F21 Y24 I26 I43 S47 V64 T66	F21-P45 HydrophobicContact CD1-CB 3.84Å; F21-P45 HydrophobicContact CD1-CG 4.14Å; F21-P45 HydrophobicContact CD2-CG 4.22Å; F21-P45 HydrophobicContact CE1-CB 3.62Å; F21-P45 HydrophobicContact CE1-CG 3.75Å; F21-P45 HydrophobicContact CE2-CG 3.85Å; F21-P45 HydrophobicContact CG-CB 4.43Å; F21-P45 HydrophobicContact CG-CG 4.38Å; F21-P45 HydrophobicContact CZ-CB 4.02Å; F21-P45 HydrophobicContact CZ-CG 3.59Å; F21-P45 WeakPolarHBondContact O-CG 3.49Å; Y24-P45 WeakPolarHBondContact O-CD 3.42Å; I26-P45 HydrophobicContact CG1-CG 3.89Å; I43-P45 WeakPolarHBondContact O-CD 2.95Å; P45-S47 PolarHBondContact O-N 2.83Å; P45-V64 HydrophobicContact CB-CG2 3.68Å; P45-V64 HydrophobicContact CG-CG2 4.02Å; P45-T66 WeakPolarHBondContact O-CG2 3.38Å
46	G	94.4	Very high	95	Very high	46 Å²	46	53.6 Å²	53.6	47%	0.474	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-27	-179.2	0	0	0	0	0	114.8	T22 Y44	T22-G46 VanDerWaalsContact O-CA 3.32Å; T22-G46 WeakPolarHBondContact O-CA 3.37Å; T22-G46 PolarHBondContact O-N 2.81Å; Y44-G46 PolarHBondContact O-N 2.93Å; Y44-G46 VanDerWaalsContact O-N 3.14Å
47	S	94.5	Very high	95.1	Very high	76 Å²	76	54.5 Å²	54.5	53%	0.531	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-13	179.3	66.2	0	0	0	0	114	Y44 P45 S49	Y44-S47 WeakPolarHBondContact CD1-OG 3.36Å; Y44-S47 PolarHBondContact O-N 3.11Å; P45-S47 PolarHBondContact O-N 2.83Å; S47-S49 PolarHBondContact O-N 2.94Å; S47-S49 VanDerWaalsContact OG-CB 3.29Å; S47-S49 WeakPolarHBondContact OG-CB 3.16Å; S47-S49 PolarHBondContact OG-N 2.81Å; S47-S49 PolarHBondContact OG-OG 3.4Å
48	G	94.4	Very high	95.1	Very high	38 Å²	38	55.8 Å²	55.8	39%	0.392	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	7.6	-169.5	0	0	0	0	0	114	Y44	Y44-G48 WeakPolarHBondContact O-CA 3.18Å; Y44-G48 PolarHBondContact O-N 3.36Å
49	S	95.1	Very high	95.1	Very high	61 Å²	61	56.1 Å²	56.1	43%	0.427	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	138.1	177.6	-61	0	0	0	0	110.9	W25 I43 Y44 S47	W25-S49 WeakPolarHBondContact CZ3-O 3.5Å; I43-S49 CarbonylContact C-O 3.57Å; I43-S49 WeakPolarHBondContact CA-O 3.42Å; Y44-S49 PolarHBondContact N-O 3.48Å; S47-S49 PolarHBondContact O-N 2.94Å; S47-S49 VanDerWaalsContact OG-CB 3.29Å; S47-S49 WeakPolarHBondContact OG-CB 3.16Å; S47-S49 PolarHBondContact OG-N 2.81Å; S47-S49 PolarHBondContact OG-OG 3.4Å
50	T	95.7	Very high	95.3	Very high	53 Å²	53	52.8 Å²	52.8	33%	0.325	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139.2	-178.3	56.2	0	0	0	0	111.7	D42 I43 Y52 L62	D42-T50 CarbonylContact O-C 3.58Å; D42-T50 VanDerWaalsContact O-CA 3.24Å; D42-T50 WeakPolarHBondContact O-CA 3.49Å; I43-T50 HydrophobicContact CB-CG2 4.06Å; I43-T50 HydrophobicContact CD1-CG2 3.87Å; I43-T50 HydrophobicContact CG1-CG2 3.83Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.45Å; T50-L62 HydrophobicContact CG2-CB 4.12Å
51	N	95.1	Very high	95.4	Very high	79 Å²	79	56.2 Å²	56.2	42%	0.422	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	151.4	163.8	-53.1	-65.1	0	0	0	110.1	W25 W39 G41 D42	W25-N51 WeakPolarHBondContact CH2-ND2 3.09Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.44Å; W39-N51 HydrophobicContact CH2-CB 4.03Å; W39-N51 HydrophobicContact CZ2-CB 4.19Å; G41-N51 CarbonylContact C-O 3.48Å; G41-N51 WeakPolarHBondContact CA-O 3.25Å; D42-N51 PolarHBondContact N-O 2.88Å; D42-N51 PolarHBondContact O-N 2.91Å; D42-N51 VanDerWaalsContact OD1-CB 3.28Å; D42-N51 WeakPolarHBondContact OD1-CB 3.07Å; D42-N51 PolarHBondContact OD1-N 3.48Å; D42-N51 PolarHBondContact OD1-ND2 2.83Å
52	Y	95.9	Very high	95.5	Very high	55 Å²	55	56.6 Å²	56.6	22%	0.216	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	146.9	180	-68.4	-87.1	0	0	0	110.6	T50 K57 A60 L62	T50-Y52 WeakPolarHBondContact OG1-CE2 3.45Å; Y52-K57 HydrophobicContact CG-CG 4.3Å; Y52-A60 HydrophobicContact CE1-CB 4.34Å; Y52-A60 WeakPolarHBondContact CE1-O 3.49Å; Y52-L62 HydrophobicContact CE1-CD1 4.1Å; Y52-L62 HydrophobicContact CE1-CG 3.73Å; Y52-L62 PolarHBondContact OH-N 2.92Å
53	N	95.2	Very high	95.7	Very high	42 Å²	42	58.3 Å²	58.3	23%	0.225	33%	0.331	C	S	.	.			trans	-73.2	131.8	156.5	-176.2	-27.3	0	0	0	108.4	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.63Å; W39-N53 HydrophobicContact CZ3-CB 3.77Å; W39-N53 VanDerWaalsContact CZ3-N 3.27Å; W39-N53 VanDerWaalsContact O-CB 3.26Å; W39-N53 WeakPolarHBondContact O-CB 2.98Å; W39-N53 PolarHBondContact O-ND2 3.09Å; I40-N53 WeakPolarHBondContact O-CB 3.28Å; I40-N53 PolarHBondContact O-N 3.1Å; N53-K55 PolarHBondContact O-N 3.43Å; N53-K55 PolarHBondContact OD1-N 2.87Å; N53-K55 VanDerWaalsContact OD1-N 3.09Å; N53-F56 HydrophobicContact CB-CD2 4Å; N53-F56 PolarHBondContact O-N 2.58Å; N53-K57 PolarHBondContact O-N 2.98Å; N53-K57 VanDerWaalsContact O-N 3.1Å
54	E	95.3	Very high	95.8	Very high	132 Å²	132	60.2 Å²	60.2	62%	0.617	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-30.7	-178.4	-68.9	-60.7	146.4	0	0	112.8	F56 K57	E54-F56 PolarHBondContact O-N 3.46Å; E54-K57 IonicContact OE1-NZ 3.89Å; E54-K57 PolarHBondContact OE1-NZ 2.91Å; E54-K57 VanDerWaalsContact OE2-CD 3.28Å; E54-K57 WeakPolarHBondContact OE2-CD 3.21Å; E54-K57 IonicContact OE2-NZ 2.8Å; E54-K57 PolarHBondContact OE2-NZ 2.82Å
55	K	93.9	Very high	95.8	Very high	152 Å²	152	59.5 Å²	59.5	66%	0.661	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-30.1	174.8	-68.8	-175.5	-179.2	-179	0	114.1	E38 N53	E38-K55 IonicContact OE2-NZ 3.59Å; E38-K55 PolarHBondContact OE2-NZ 2.03Å; N53-K55 PolarHBondContact O-N 3.43Å; N53-K55 PolarHBondContact OD1-N 2.87Å; N53-K55 VanDerWaalsContact OD1-N 3.09Å
56	F	95.5	Very high	95.9	Very high	11 Å²	11	62.9 Å²	62.9	5%	0.048	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-8.8	-172.6	-63.3	-83.7	0	0	0	113.2	K30 E38 I40 N53 E54 S58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.9Å; K30-F56 HydrophobicContact CD-CZ 3.98Å; E38-F56 HydrophobicContact CB-CE2 4.48Å; E38-F56 HydrophobicContact CB-CZ 4.46Å; I40-F56 HydrophobicContact CB-CD2 4.34Å; I40-F56 HydrophobicContact CB-CG 4.3Å; I40-F56 HydrophobicContact CG1-CD1 4.27Å; I40-F56 HydrophobicContact CG1-CD2 4.27Å; I40-F56 HydrophobicContact CG1-CE1 4.27Å; I40-F56 HydrophobicContact CG1-CE2 4.25Å; I40-F56 HydrophobicContact CG1-CG 4.27Å; I40-F56 HydrophobicContact CG1-CZ 4.26Å; I40-F56 HydrophobicContact CG2-CB 3.71Å; I40-F56 HydrophobicContact CG2-CD1 4.24Å; I40-F56 HydrophobicContact CG2-CD2 4.36Å; I40-F56 HydrophobicContact CG2-CG 3.86Å; N53-F56 HydrophobicContact CB-CD2 4Å; N53-F56 PolarHBondContact O-N 2.58Å; E54-F56 PolarHBondContact O-N 3.46Å; F56-S58 PolarHBondContact O-N 3.1Å; F56-S58 VanDerWaalsContact O-N 3.15Å; F56-K59 PolarHBondContact O-N 2.81Å; F56-A60 HydrophobicContact CB-CB 4.28Å; F56-A60 PolarHBondContact O-N 3.35Å
57	K	94.4	Very high	95.9	Very high	112 Å²	112	65.8 Å²	65.8	49%	0.487	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-32	-173.8	-167.6	177	-170.2	173.9	0	114.4	Y52 N53 E54	Y52-K57 HydrophobicContact CG-CG 4.3Å; N53-K57 PolarHBondContact O-N 2.98Å; N53-K57 VanDerWaalsContact O-N 3.1Å; E54-K57 IonicContact OE1-NZ 3.89Å; E54-K57 PolarHBondContact OE1-NZ 2.91Å; E54-K57 VanDerWaalsContact OE2-CD 3.28Å; E54-K57 WeakPolarHBondContact OE2-CD 3.21Å; E54-K57 IonicContact OE2-NZ 2.8Å; E54-K57 PolarHBondContact OE2-NZ 2.82Å
58	S	95.1	Very high	96	Very high	113 Å²	113	64 Å²	64	79%	0.79	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-12.4	176.2	58.8	0	0	0	0	114	F56	F56-S58 PolarHBondContact O-N 3.1Å; F56-S58 VanDerWaalsContact O-N 3.15Å
59	K	95.9	Very high	96	Very high	38 Å²	38	64.1 Å²	64.1	17%	0.165	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-34	-168.6	-157.7	168.3	-160.1	163.6	0	113.5	F56 L75 S76 S77 D82	F56-K59 PolarHBondContact O-N 2.81Å; K59-L75 WeakPolarHBondContact O-CA 3.27Å; K59-S76 WeakPolarHBondContact CE-O 3.24Å; K59-S76 WeakPolarHBondContact CG-O 3.49Å; K59-S76 PolarHBondContact O-N 2.9Å; K59-S76 PolarHBondContact O-OG 3.21Å; K59-S77 WeakPolarHBondContact CE-O 3.25Å; K59-S77 PolarHBondContact NZ-O 3.04Å; K59-D82 WeakPolarHBondContact CE-OD2 3.38Å; K59-D82 IonicContact NZ-OD1 2.58Å; K59-D82 IonicContact NZ-OD2 3.74Å; K59-D82 PolarHBondContact NZ-OD2 2.8Å
60	A	97.7	Very high	96.2	Very high	3 Å²	3	61.6 Å²	61.6	3%	0.025	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	137.8	-178.8	0	0	0	0	0	110.7	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.75Å; Y52-A60 HydrophobicContact CE1-CB 4.34Å; Y52-A60 WeakPolarHBondContact CE1-O 3.49Å; F56-A60 HydrophobicContact CB-CB 4.28Å; F56-A60 PolarHBondContact O-N 3.35Å; A60-M73 HydrophobicContact CB-CG 4.45Å; A60-M73 HydrophobicContact CB-SD 4.28Å; A60-Q74 CarbonylContact C-O 3.6Å; A60-Q74 WeakPolarHBondContact CA-O 3.34Å; A60-L75 HydrophobicContact CB-CD2 3.85Å
61	T	98.3	Very high	96.3	Very high	71 Å²	71	59 Å²	59	44%	0.436	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	120.2	169.2	-59.2	0	0	0	0	108.5	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.26Å; T61-M73 WeakPolarHBondContact O-CA 3.49Å; T61-Q74 PolarHBondContact N-O 2.82Å; T61-Q74 PolarHBondContact O-N 2.85Å
62	L	98.2	Very high	96.4	Very high	9 Å²	9	57.8 Å²	57.8	5%	0.047	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	131	178.9	-53.1	-174.6	0	0	0	109.9	W28 D42 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.09Å; D42-L62 WeakPolarHBondContact O-CD1 3.16Å; I43-L62 HydrophobicContact CB-CB 4.16Å; I43-L62 HydrophobicContact CB-CD1 4.45Å; I43-L62 HydrophobicContact CD1-CB 4.31Å; I43-L62 HydrophobicContact CG2-CB 4.46Å; T50-L62 HydrophobicContact CG2-CB 4.12Å; Y52-L62 HydrophobicContact CE1-CD1 4.1Å; Y52-L62 HydrophobicContact CE1-CG 3.73Å; Y52-L62 PolarHBondContact OH-N 2.92Å; L62-Y72 WeakPolarHBondContact CA-O 3.46Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.09Å
63	T	98.1	Very high	96.5	Very high	58 Å²	58	55.2 Å²	55.2	36%	0.356	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	166	177.9	56.2	0	0	0	0	110.4	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.26Å; T63-Y72 PolarHBondContact N-O 2.92Å; T63-Y72 PolarHBondContact O-N 2.79Å
64	V	97.6	Very high	96.6	Very high	43 Å²	43	57.1 Å²	57.1	26%	0.261	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	142.7	-177.9	68.6	0	0	0	0	111.3	F21 I43 P45 T66	F21-V64 HydrophobicContact CE1-CG2 3.32Å; F21-V64 HydrophobicContact CZ-CG2 3.57Å; I43-V64 HydrophobicContact CD1-CB 3.97Å; I43-V64 HydrophobicContact CD1-CG1 4.06Å; P45-V64 HydrophobicContact CB-CG2 3.68Å; P45-V64 HydrophobicContact CG-CG2 4.02Å; V64-T66 HydrophobicContact CG2-CG2 4.44Å
65	D	97.1	Very high	96.7	Very high	53 Å²	53	50.9 Å²	50.9	28%	0.283	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	103.6	167.4	175.1	7.8	0	0	0	108.1	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.84Å; D65-S67 WeakPolarHBondContact OD1-CB 2.97Å; D65-S67 PolarHBondContact OD1-N 2.68Å; D65-S67 PolarHBondContact OD1-OG 3.07Å; D65-S68 PolarHBondContact OD1-N 2.89Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.41Å; D65-S68 PolarHBondContact OD2-OG 2.88Å; D65-S69 PolarHBondContact O-N 3.15Å; D65-S69 VanDerWaalsContact O-N 3.09Å; D65-T70 PolarHBondContact N-O 3.48Å; D65-T70 PolarHBondContact O-N 3.41Å; D65-Y72 HydrophobicContact CB-CE2 3.92Å
66	T	95.5	Very high	96.9	Very high	75 Å²	75	45.4 Å²	45.4	46%	0.46	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-26.3	-178.5	52.7	0	0	0	0	112.1	T22 P45 V64 S69	T22-T66 HydrophobicContact CG2-CG2 3.98Å; P45-T66 WeakPolarHBondContact O-CG2 3.38Å; V64-T66 HydrophobicContact CG2-CG2 4.44Å; T66-S69 PolarHBondContact O-N 3.1Å
67	S	94.7	Very high	96.9	Very high	107 Å²	107	48.6 Å²	48.6	75%	0.748	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-37.9	179.6	75.6	0	0	0	0	111.9	D65	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.84Å; D65-S67 WeakPolarHBondContact OD1-CB 2.97Å; D65-S67 PolarHBondContact OD1-N 2.68Å; D65-S67 PolarHBondContact OD1-OG 3.07Å
68	S	96.4	Very high	97	Very high	38 Å²	38	43.3 Å²	43.3	27%	0.266	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	1.9	176.7	68	0	0	0	0	113.7	D65 T70	D65-S68 PolarHBondContact OD1-N 2.89Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.41Å; D65-S68 PolarHBondContact OD2-OG 2.88Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 2.89Å; S68-T70 PolarHBondContact O-OG1 2.77Å; S68-T70 VanDerWaalsContact O-OG1 3.08Å; S68-T70 WeakPolarHBondContact OG-CB 3.2Å; S68-T70 PolarHBondContact OG-OG1 3.01Å
69	S	96.3	Very high	97.1	Very high	41 Å²	41	40.7 Å²	40.7	29%	0.287	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	43.9	-173.7	-62.4	0	0	0	0	113.1	A16 F21 D65 T66	A16-S69 PolarHBondContact N-O 3.25Å; F21-S69 VanDerWaalsContact CD1-CA 3.43Å; F21-S69 VanDerWaalsContact CE1-C 3.5Å; D65-S69 PolarHBondContact O-N 3.15Å; D65-S69 VanDerWaalsContact O-N 3.09Å; T66-S69 PolarHBondContact O-N 3.1Å
70	T	97.6	Very high	97	Very high	8 Å²	8	43 Å²	43	5%	0.049	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.2	-174.2	-54	0	0	0	0	111.1	C14 K15 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.49Å; K15-T70 HydrophobicContact CB-CG2 4.44Å; D65-T70 PolarHBondContact N-O 3.48Å; D65-T70 PolarHBondContact O-N 3.41Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 2.89Å; S68-T70 PolarHBondContact O-OG1 2.77Å; S68-T70 VanDerWaalsContact O-OG1 3.08Å; S68-T70 WeakPolarHBondContact OG-CB 3.2Å; S68-T70 PolarHBondContact OG-OG1 3.01Å; T70-Y72 HydrophobicContact CG2-CD1 4.31Å; T70-Y72 HydrophobicContact CG2-CD2 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.72Å; T70-Y72 HydrophobicContact CG2-CE2 3.73Å
71	A	97.4	Very high	96.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	149.7	167.6	0	0	0	0	0	109.7	S13 C14 F21 I26 W28 I43	S13-A71 CarbonylContact C-O 3.52Å; S13-A71 WeakPolarHBondContact CA-O 3.13Å; C14-A71 HydrophobicContact CB-CB 4.48Å; C14-A71 PolarHBondContact N-O 2.81Å; C14-A71 PolarHBondContact O-N 2.86Å; F21-A71 HydrophobicContact CE2-CB 4.45Å; F21-A71 HydrophobicContact CZ-CB 4.03Å; I26-A71 HydrophobicContact CB-CB 4.04Å; I26-A71 HydrophobicContact CG1-CB 4.12Å; I26-A71 HydrophobicContact CG2-CB 3.75Å; W28-A71 HydrophobicContact CZ2-CB 4.38Å; I43-A71 HydrophobicContact CG2-CB 4.34Å
72	Y	98.1	Very high	96.7	Very high	53 Å²	53	46.3 Å²	46.3	21%	0.208	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	144.9	177.3	-55.2	-92.5	0	0	0	110.9	K11 M12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.45Å; K11-Y72 HydrophobicContact CG-CD1 4.4Å; M12-Y72 WeakPolarHBondContact O-CA 3.23Å; M12-Y72 WeakPolarHBondContact O-CB 3.29Å; S13-Y72 VanDerWaalsContact CB-CD1 3.48Å; S13-Y72 VanDerWaalsContact CB-CE1 3.42Å; L62-Y72 WeakPolarHBondContact CA-O 3.46Å; T63-Y72 PolarHBondContact N-O 2.92Å; T63-Y72 PolarHBondContact O-N 2.79Å; D65-Y72 HydrophobicContact CB-CE2 3.92Å; T70-Y72 HydrophobicContact CG2-CD1 4.31Å; T70-Y72 HydrophobicContact CG2-CD2 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.72Å; T70-Y72 HydrophobicContact CG2-CE2 3.73Å
73	M	98	Very high	96.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128	163.9	177.1	174	69.5	0	0	108.5	K11 M12 W28 I40 A60 T61 L62 L75 Y86	K11-M73 WeakPolarHBondContact CA-O 3.4Å; M12-M73 HydrophobicContact CE-CE 3.48Å; M12-M73 VanDerWaalsContact CE-CE 3.48Å; M12-M73 HydrophobicContact CG-CB 3.89Å; M12-M73 HydrophobicContact CG-CE 4.06Å; M12-M73 WeakPolarHBondContact CG-O 3.34Å; M12-M73 PolarHBondContact N-O 2.96Å; M12-M73 PolarHBondContact O-N 3.15Å; M12-M73 HydrophobicContact SD-CB 4.48Å; M12-M73 HydrophobicContact SD-CE 3.18Å; M12-M73 WeakPolarHBondContact SD-CE 3.49Å; W28-M73 HydrophobicContact CB-CE 4.46Å; W28-M73 HydrophobicContact CB-SD 3.9Å; W28-M73 HydrophobicContact CD2-CB 3.63Å; W28-M73 HydrophobicContact CD2-CE 4.34Å; W28-M73 HydrophobicContact CD2-SD 4.26Å; W28-M73 HydrophobicContact CE3-CB 3.93Å; W28-M73 HydrophobicContact CE3-CE 3.91Å; W28-M73 HydrophobicContact CE3-SD 4.42Å; W28-M73 HydrophobicContact CG-CB 4.09Å; W28-M73 HydrophobicContact CG-SD 4.06Å; W28-M73 HydrophobicContact CH2-CB 4.2Å; W28-M73 HydrophobicContact CZ2-CB 3.94Å; W28-M73 HydrophobicContact CZ3-CB 4.21Å; I40-M73 HydrophobicContact CB-SD 4.47Å; I40-M73 HydrophobicContact CD1-CE 3.7Å; I40-M73 HydrophobicContact CD1-SD 3.66Å; I40-M73 HydrophobicContact CG2-SD 3.79Å; A60-M73 HydrophobicContact CB-CG 4.45Å; A60-M73 HydrophobicContact CB-SD 4.28Å; T61-M73 WeakPolarHBondContact O-CA 3.49Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.09Å; M73-L75 HydrophobicContact CE-CD1 3.96Å; M73-L75 HydrophobicContact CE-CD2 4.28Å; M73-L75 HydrophobicContact CE-CG 4.04Å; M73-L75 HydrophobicContact CG-CD2 4.45Å; M73-L75 HydrophobicContact CG-CG 4.37Å; M73-L75 HydrophobicContact SD-CD2 4.07Å; M73-L75 HydrophobicContact SD-CG 4.32Å; M73-Y86 HydrophobicContact CE-CD1 3.67Å; M73-Y86 HydrophobicContact CE-CE1 4.23Å; M73-Y86 HydrophobicContact CE-CG 4.33Å
74	Q	98.1	Very high	96.6	Very high	83 Å²	83	45.1 Å²	45.1	39%	0.388	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.6	167.8	-176.4	172.7	-1.6	0	0	108.9	V10 K11 A60 T61	V10-Q74 CarbonylContact O-C 3.58Å; V10-Q74 VanDerWaalsContact O-CA 3.27Å; V10-Q74 WeakPolarHBondContact O-CA 3.45Å; K11-Q74 HydrophobicContact CG-CB 4.49Å; A60-Q74 CarbonylContact C-O 3.6Å; A60-Q74 WeakPolarHBondContact CA-O 3.34Å; T61-Q74 PolarHBondContact N-O 2.82Å; T61-Q74 PolarHBondContact O-N 2.85Å
75	L	97.4	Very high	96.6	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.5	169.8	-64.4	168	0	0	0	108.5	S9 V10 M12 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.52Å; S9-L75 WeakPolarHBondContact CA-O 3.36Å; S9-L75 WeakPolarHBondContact CB-O 3.13Å; V10-L75 HydrophobicContact CG1-CB 3.91Å; V10-L75 HydrophobicContact CG1-CD1 4.21Å; V10-L75 HydrophobicContact CG1-CG 4.48Å; V10-L75 PolarHBondContact N-O 2.93Å; V10-L75 PolarHBondContact O-N 2.85Å; M12-L75 HydrophobicContact CE-CD1 3.78Å; M12-L75 HydrophobicContact CE-CG 4.43Å; K59-L75 WeakPolarHBondContact O-CA 3.27Å; A60-L75 HydrophobicContact CB-CD2 3.85Å; M73-L75 HydrophobicContact CE-CD1 3.96Å; M73-L75 HydrophobicContact CE-CD2 4.28Å; M73-L75 HydrophobicContact CE-CG 4.04Å; M73-L75 HydrophobicContact CG-CD2 4.45Å; M73-L75 HydrophobicContact CG-CG 4.37Å; M73-L75 HydrophobicContact SD-CD2 4.07Å; M73-L75 HydrophobicContact SD-CG 4.32Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.24Å; L75-Y86 HydrophobicContact CD1-CD1 4.1Å; L75-Y86 HydrophobicContact CD1-CE1 3.46Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.46Å; L75-Y86 HydrophobicContact CD1-CE2 4.17Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.48Å
76	S	97.1	Very high	96.7	Very high	36 Å²	36	42.5 Å²	42.5	25%	0.252	26%	0.257	S	S	.	.			trans	-106.2	160.4	178.7	60.9	0	0	0	0	111.8	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.07Å; K59-S76 WeakPolarHBondContact CE-O 3.24Å; K59-S76 WeakPolarHBondContact CG-O 3.49Å; K59-S76 PolarHBondContact O-N 2.9Å; K59-S76 PolarHBondContact O-OG 3.21Å; S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 3Å
77	S	96.1	Very high	96.7	Very high	78 Å²	78	41.1 Å²	41.1	55%	0.545	24%	0.244	S	C	.	.	S	Bend	trans	49.7	49.4	171.2	-56.5	0	0	0	0	113.5	A8 K59	A8-S77 PolarHBondContact O-N 2.88Å; K59-S77 WeakPolarHBondContact CE-O 3.25Å; K59-S77 PolarHBondContact NZ-O 3.04Å
78	L	96.3	Very high	96.8	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	21%	0.213	C	C	.	.			trans	-62.1	140.4	-174.6	-70	176.2	0	0	0	112.3	V4 P6 G7 A8 V10 L75 S76 D82 V108 V110	V4-L78 HydrophobicContact CG2-CD1 3.55Å; P6-L78 WeakPolarHBondContact CA-O 3.21Å; G7-L78 PolarHBondContact N-O 2.87Å; A8-L78 WeakPolarHBondContact O-CB 3.47Å; A8-L78 WeakPolarHBondContact O-CG 3.04Å; A8-L78 PolarHBondContact O-N 2.72Å; V10-L78 HydrophobicContact CB-CD1 4.14Å; V10-L78 HydrophobicContact CG1-CD1 3.76Å; V10-L78 HydrophobicContact CG1-CD2 4.48Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.24Å; S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 3Å; L78-D82 WeakPolarHBondContact CA-OD2 3.46Å; L78-D82 HydrophobicContact CD2-CB 3.69Å; L78-V108 HydrophobicContact CD1-CG1 4.35Å; L78-V110 HydrophobicContact CB-CG1 4.27Å; L78-V110 HydrophobicContact CB-CG2 4Å; L78-V110 HydrophobicContact CD1-CG2 4.27Å
79	T	96.3	Very high	96.6	Very high	58 Å²	58	35 Å²	35	36%	0.356	20%	0.201	S	C	.	.			trans	-118.9	169.4	173.4	62.2	0	0	0	0	110	E81 D82 V110	T79-E81 PolarHBondContact O-N 2.97Å; T79-E81 VanDerWaalsContact O-N 3.11Å; T79-D82 PolarHBondContact N-OD2 2.94Å; T79-D82 WeakPolarHBondContact O-CB 3.38Å; T79-D82 PolarHBondContact O-N 2.95Å; T79-D82 PolarHBondContact OG1-OD2 3.08Å; T79-V110 WeakPolarHBondContact O-CB 3.37Å; T79-V110 WeakPolarHBondContact O-CG2 3.29Å
80	S	95	Very high	96.3	Very high	88 Å²	88	34.7 Å²	34.7	62%	0.615	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-53.6	-32	175.9	51.9	0	0	0	0	112.8	D82 S83	S80-D82 PolarHBondContact O-N 2.81Å; S80-S83 WeakPolarHBondContact O-CB 3.44Å; S80-S83 PolarHBondContact O-N 3.18Å; S80-S83 VanDerWaalsContact O-N 3.07Å; S80-S83 PolarHBondContact O-OG 3.01Å
81	E	93.4	Very high	95.5	Very high	135 Å²	135	34.7 Å²	34.7	63%	0.631	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-66.7	-12.7	176.3	-59.9	-175.9	171.5	0	0	114.4	K30 R32 T79	K30-E81 PolarHBondContact NZ-O 2.94Å; R32-E81 PolarHBondContact NE-O 2.79Å; R32-E81 PolarHBondContact NH2-O 3.23Å; T79-E81 PolarHBondContact O-N 2.97Å; T79-E81 VanDerWaalsContact O-N 3.11Å
82	D	95.7	Very high	94.1	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.043	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-87.1	-4.4	172.9	-62.1	-49.7	0	0	0	114.1	K30 K59 L78 T79 S80 A84 Y86 V110	K30-D82 IonicContact NZ-OD1 3.88Å; K30-D82 PolarHBondContact NZ-OD1 3.47Å; K30-D82 VanDerWaalsContact NZ-OD1 3.1Å; K59-D82 WeakPolarHBondContact CE-OD2 3.38Å; K59-D82 IonicContact NZ-OD1 2.58Å; K59-D82 IonicContact NZ-OD2 3.74Å; K59-D82 PolarHBondContact NZ-OD2 2.8Å; L78-D82 WeakPolarHBondContact CA-OD2 3.46Å; L78-D82 HydrophobicContact CD2-CB 3.69Å; T79-D82 PolarHBondContact N-OD2 2.94Å; T79-D82 WeakPolarHBondContact O-CB 3.38Å; T79-D82 PolarHBondContact O-N 2.95Å; T79-D82 PolarHBondContact OG1-OD2 3.08Å; S80-D82 PolarHBondContact O-N 2.81Å; D82-A84 PolarHBondContact O-N 2.88Å; D82-Y86 WeakPolarHBondContact O-CE2 3.28Å; D82-Y86 PolarHBondContact O-OH 2.82Å; D82-V110 HydrophobicContact CB-CG2 4.3Å
83	S	97.2	Very high	92.1	Very high	35 Å²	35	38.2 Å²	38.2	25%	0.245	23%	0.231	C	C	.	.			trans	-63.1	112	172	-57.1	0	0	0	0	110.2	S80 V108 V110	S80-S83 WeakPolarHBondContact O-CB 3.44Å; S80-S83 PolarHBondContact O-N 3.18Å; S80-S83 VanDerWaalsContact O-N 3.07Å; S80-S83 PolarHBondContact O-OG 3.01Å; S83-V108 CarbonylContact C-O 3.5Å; S83-V108 VanDerWaalsContact CA-O 3.29Å; S83-V108 WeakPolarHBondContact CA-O 3.32Å; S83-V110 PolarHBondContact OG-N 2.75Å
84	A	97.4	Very high	90.1	Very high	6 Å²	6	47.5 Å²	47.5	5%	0.05	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	171.1	-170.7	0	0	0	0	0	111.2	K30 Q31 R32 D82 Y86 V108	K30-A84 HydrophobicContact CD-CB 4.25Å; K30-A84 HydrophobicContact CG-CB 3.6Å; Q31-A84 WeakPolarHBondContact O-CA 3.15Å; Q31-A84 WeakPolarHBondContact O-CB 3.26Å; R32-A84 HydrophobicContact CG-CB 4.24Å; D82-A84 PolarHBondContact O-N 2.88Å; A84-Y86 HydrophobicContact CB-CD2 4.35Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; A84-V108 PolarHBondContact N-O 2.8Å; A84-V108 PolarHBondContact O-N 3.14Å
85	V	97.9	Very high	87.8	Confident	39 Å²	39	44.8 Å²	44.8	24%	0.236	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	131.1	160.8	-170.8	0	0	0	0	108.5	Q31 Y87	Q31-V85 PolarHBondContact N-O 2.84Å; Q31-V85 PolarHBondContact O-N 2.89Å; V85-Y87 HydrophobicContact CB-CE2 3.84Å; V85-Y87 HydrophobicContact CG1-CD1 4.43Å; V85-Y87 HydrophobicContact CG1-CD2 4.31Å; V85-Y87 HydrophobicContact CG1-CE1 3.76Å; V85-Y87 HydrophobicContact CG1-CE2 3.63Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.45Å
86	Y	97.7	Very high	85.6	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.008	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.4	178.9	-68.8	-90.1	0	0	0	109.9	M12 V29 K30 I40 M73 L75 D82 A84 G105 T106 V108	M12-Y86 HydrophobicContact CE-CD1 4.19Å; M12-Y86 HydrophobicContact CE-CD2 4.08Å; M12-Y86 HydrophobicContact CE-CG 3.79Å; M12-Y86 VanDerWaalsContact SD-CB 3.5Å; M12-Y86 HydrophobicContact SD-CD1 4.45Å; M12-Y86 HydrophobicContact SD-CG 4.04Å; V29-Y86 CarbonylContact O-C 3.45Å; V29-Y86 WeakPolarHBondContact O-CA 3.4Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.89Å; K30-Y86 HydrophobicContact CD-CE1 3.95Å; K30-Y86 WeakPolarHBondContact CE-OH 3.1Å; K30-Y86 HydrophobicContact CG-CD1 4.28Å; K30-Y86 HydrophobicContact CG-CE1 3.73Å; I40-Y86 HydrophobicContact CD1-CD1 3.73Å; I40-Y86 HydrophobicContact CD1-CE1 3.85Å; M73-Y86 HydrophobicContact CE-CD1 3.67Å; M73-Y86 HydrophobicContact CE-CE1 4.23Å; M73-Y86 HydrophobicContact CE-CG 4.33Å; L75-Y86 HydrophobicContact CD1-CD1 4.1Å; L75-Y86 HydrophobicContact CD1-CE1 3.46Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.46Å; L75-Y86 HydrophobicContact CD1-CE2 4.17Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.48Å; D82-Y86 WeakPolarHBondContact O-CE2 3.28Å; D82-Y86 PolarHBondContact O-OH 2.82Å; A84-Y86 HydrophobicContact CB-CD2 4.35Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; Y86-G105 CarbonylContact O-C 3.51Å; Y86-G105 VanDerWaalsContact O-CA 3.23Å; Y86-G105 WeakPolarHBondContact O-CA 3.33Å; Y86-T106 PolarHBondContact N-O 3.32Å; Y86-T106 PolarHBondContact O-N 3.5Å; Y86-V108 HydrophobicContact CD2-CB 4.05Å; Y86-V108 HydrophobicContact CD2-CG2 3.79Å; Y86-V108 HydrophobicContact CE2-CB 3.88Å; Y86-V108 HydrophobicContact CE2-CG2 4.04Å
87	Y	96.9	Very high	83.6	Confident	46 Å²	46	63.4 Å²	63.4	18%	0.18	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	149.4	-179.2	-55.5	-89.1	0	0	0	110.2	W28 V29 Q31 V85 W102	W28-Y87 WeakPolarHBondContact CA-O 3.42Å; V29-Y87 PolarHBondContact N-O 3.05Å; V29-Y87 PolarHBondContact O-N 2.93Å; Q31-Y87 HydrophobicContact CB-CD2 4.39Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.31Å; Q31-Y87 PolarHBondContact OE1-OH 3.13Å; V85-Y87 HydrophobicContact CB-CE2 3.84Å; V85-Y87 HydrophobicContact CG1-CD1 4.43Å; V85-Y87 HydrophobicContact CG1-CD2 4.31Å; V85-Y87 HydrophobicContact CG1-CE1 3.76Å; V85-Y87 HydrophobicContact CG1-CE2 3.63Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.45Å; Y87-W102 HydrophobicContact CG-CE3 4.12Å; Y87-W102 HydrophobicContact CG-CZ3 4.28Å
88	C	95.4	Very high	81.8	Confident	14 Å²	14	61 Å²	61	10%	0.095	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	149	157.8	65.1	0	0	0	0	109.4	C14 I26 T27 W28 G103	C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 3.4Å; C14-C88 WeakPolarHBondContact SG-CB 3.32Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.25Å; I26-C88 HydrophobicContact CG2-CB 4.3Å; T27-C88 CarbonylContact O-C 3.5Å; T27-C88 WeakPolarHBondContact O-CA 3.42Å; W28-C88 HydrophobicContact CD2-CB 4.3Å; W28-C88 HydrophobicContact CE3-CB 4.05Å; W28-C88 HydrophobicContact CH2-CB 4.18Å; W28-C88 HydrophobicContact CZ2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 3.98Å; C88-G103 PolarHBondContact O-N 3.01Å
89	A	93.4	Very high	80.6	Confident	4 Å²	4	64.3 Å²	64.3	3%	0.033	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	153.4	174	0	0	0	0	0	110.7	I26 T27 M99 Y101 W102	I26-A89 WeakPolarHBondContact CA-O 2.93Å; T27-A89 PolarHBondContact N-O 2.8Å; T27-A89 PolarHBondContact O-N 2.92Å; A89-M99 HydrophobicContact CB-CB 3.98Å; A89-M99 HydrophobicContact CB-CG 4.01Å; A89-M99 HydrophobicContact CB-SD 3.64Å; A89-Y101 CarbonylContact C-O 3.57Å; A89-Y101 WeakPolarHBondContact CA-O 3.4Å; A89-Y101 WeakPolarHBondContact CB-O 3.31Å; A89-W102 HydrophobicContact CB-CD2 3.81Å; A89-W102 HydrophobicContact CB-CE3 4.11Å; A89-W102 HydrophobicContact CB-CG 4.16Å; A89-W102 HydrophobicContact CB-CZ2 4.27Å; A89-W102 HydrophobicContact CB-CZ3 4.45Å
90	R	90.7	Very high	79.5	Confident	33 Å²	33	66.1 Å²	66.1	13%	0.125	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	130.5	174.2	-172.1	-167.4	75.7	177	9.6	109.6	Y19 Y24 W25 M99 D100 Y101	Y19-R90 HydrophobicContact CE2-CG 4.14Å; Y24-R90 HydrophobicContact CD1-CG 4.11Å; Y24-R90 HydrophobicContact CG-CG 3.95Å; W25-R90 WeakPolarHBondContact O-CA 3.37Å; R90-M99 WeakPolarHBondContact O-CA 3.44Å; R90-D100 IonicContact NH2-OD2 3.41Å; R90-D100 PolarHBondContact O-N 2.6Å; R90-Y101 VanDerWaalsContact CZ-CE2 3.46Å; R90-Y101 PolarHBondContact N-O 2.61Å
91	G	79.8	Confident	79.1	Confident	9 Å²	9	69 Å²	69	9%	0.093	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	149.4	174.4	0	0	0	0	0	113.3	W25	W25-G91 PolarHBondContact N-O 2.85Å; W25-G91 PolarHBondContact O-N 2.67Å
92	D	67.3	Low	79	Confident	73 Å²	73	67.5 Å²	67.5	39%	0.39	33%	0.329	S	S	.	.			trans	-82.9	130.5	168.7	69.9	-29	0	0	0	109.4	K94	D92-K94 PolarHBondContact O-N 3.03Å
93	G	57.2	Low	78.9	Confident	53 Å²	53	68.5 Å²	68.5	55%	0.546	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	21.7	-170.3	0	0	0	0	0	116.6
94	K	55.3	Low	78.7	Confident	195 Å²	195	75.8 Å²	75.8	85%	0.848	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	26.1	-176.7	-68.5	-161	177.2	-173	0	114.1	D92	D92-K94 PolarHBondContact O-N 3.03Å
95	G	49.9	Very low	78.6	Confident	27 Å²	27	76.8 Å²	76.8	28%	0.278	38%	0.382	S	S	.	.	S	Bend	trans	96.1	118.3	170.3	0	0	0	0	0	111.8	Y97	G95-Y97 WeakPolarHBondContact O-CD2 3.49Å; G95-Y97 PolarHBondContact O-N 3.36Å
96	Y	51.9	Low	78.5	Confident	219 Å²	219	77.3 Å²	77.3	86%	0.859	39%	0.385	S	S	*	.	S	Bend	trans	43.9	-3.5	149.5	-57.7	-72.3	0	0	0	122.5
97	Y	54.3	Low	78.5	Confident	208 Å²	208	79.3 Å²	79.3	82%	0.816	40%	0.399	S	S	*	.	S	Bend	trans	-113.3	-5.4	-159.8	-66.5	-64.8	0	0	0	116.7	G95	G95-Y97 WeakPolarHBondContact O-CD2 3.49Å; G95-Y97 PolarHBondContact O-N 3.36Å
98	A	59.2	Low	78.5	Confident	27 Å²	27	77.1 Å²	77.1	22%	0.223	39%	0.391	C	S	.	.			trans	-150.2	88.4	175.6	0	0	0	0	0	113.2	D100	A98-D100 WeakPolarHBondContact CB-OD1 3.35Å; A98-D100 PolarHBondContact O-N 3.41Å; A98-D100 VanDerWaalsContact O-N 3.1Å
99	M	70.5	Confident	78.6	Confident	71 Å²	71	79.2 Å²	79.2	35%	0.35	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	75.9	158.3	-69.7	-168.4	-165.6	0	0	108.5	T27 V29 A89 R90 Y101 W102	T27-M99 HydrophobicContact CG2-CE 3.3Å; T27-M99 HydrophobicContact CG2-SD 4.24Å; V29-M99 HydrophobicContact CG2-CE 4.37Å; V29-M99 HydrophobicContact CG2-SD 4.29Å; A89-M99 HydrophobicContact CB-CB 3.98Å; A89-M99 HydrophobicContact CB-CG 4.01Å; A89-M99 HydrophobicContact CB-SD 3.64Å; R90-M99 WeakPolarHBondContact O-CA 3.44Å; M99-Y101 VanDerWaalsContact C-N 3.28Å; M99-Y101 PolarHBondContact O-N 3.32Å; M99-W102 HydrophobicContact CB-CZ2 3.79Å; M99-W102 HydrophobicContact CG-CZ2 4.19Å; M99-W102 PolarHBondContact O-NE1 3.09Å; M99-W102 HydrophobicContact SD-CH2 3.65Å; M99-W102 HydrophobicContact SD-CZ2 3.32Å; M99-W102 WeakPolarHBondContact SD-CZ2 3.39Å
100	D	73.6	Confident	78.8	Confident	97 Å²	97	79.4 Å²	79.4	52%	0.519	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	-27.9	-171.1	-67.6	-42.5	0	0	0	113.3	R90 A98	R90-D100 IonicContact NH2-OD2 3.41Å; R90-D100 PolarHBondContact O-N 2.6Å; A98-D100 WeakPolarHBondContact CB-OD1 3.35Å; A98-D100 PolarHBondContact O-N 3.41Å; A98-D100 VanDerWaalsContact O-N 3.1Å
101	Y	85.9	Confident	78.9	Confident	148 Å²	148	83.3 Å²	83.3	58%	0.58	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.7	127.2	-174.4	-65.4	-89.3	0	0	0	110.4	A89 R90 M99	A89-Y101 CarbonylContact C-O 3.57Å; A89-Y101 WeakPolarHBondContact CA-O 3.4Å; A89-Y101 WeakPolarHBondContact CB-O 3.31Å; R90-Y101 VanDerWaalsContact CZ-CE2 3.46Å; R90-Y101 PolarHBondContact N-O 2.61Å; M99-Y101 VanDerWaalsContact C-N 3.28Å; M99-Y101 PolarHBondContact O-N 3.32Å
102	W	92.2	Very high	78.8	Confident	104 Å²	104	87 Å²	87	39%	0.394	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.6	179.6	-69.7	71.2	0	0	0	110.5	V29 L37 Y87 A89 M99	V29-W102 HydrophobicContact CB-CH2 4.24Å; V29-W102 HydrophobicContact CB-CZ3 3.97Å; V29-W102 HydrophobicContact CG1-CH2 4.18Å; V29-W102 HydrophobicContact CG1-CZ3 4.09Å; V29-W102 HydrophobicContact CG2-CH2 3.86Å; V29-W102 HydrophobicContact CG2-CZ3 3.99Å; L37-W102 HydrophobicContact CD1-CH2 3.76Å; L37-W102 HydrophobicContact CD1-CZ2 4.39Å; L37-W102 HydrophobicContact CD1-CZ3 4.31Å; Y87-W102 HydrophobicContact CG-CE3 4.12Å; Y87-W102 HydrophobicContact CG-CZ3 4.28Å; A89-W102 HydrophobicContact CB-CD2 3.81Å; A89-W102 HydrophobicContact CB-CE3 4.11Å; A89-W102 HydrophobicContact CB-CG 4.16Å; A89-W102 HydrophobicContact CB-CZ2 4.27Å; A89-W102 HydrophobicContact CB-CZ3 4.45Å; M99-W102 HydrophobicContact CB-CZ2 3.79Å; M99-W102 HydrophobicContact CG-CZ2 4.19Å; M99-W102 PolarHBondContact O-NE1 3.09Å; M99-W102 HydrophobicContact SD-CH2 3.65Å; M99-W102 HydrophobicContact SD-CZ2 3.32Å; M99-W102 WeakPolarHBondContact SD-CZ2 3.39Å
103	G	92.9	Very high	79.4	Confident	28 Å²	28	87.7 Å²	87.7	29%	0.289	46%	0.457	S	S	.	.			trans	-68.4	162.6	164.7	0	0	0	0	0	111.2	C88 G105	C88-G103 PolarHBondContact O-N 3.01Å; G103-G105 PolarHBondContact O-N 3.49Å; G103-G105 VanDerWaalsContact O-N 3.11Å
104	Q	94	Very high	80.7	Confident	188 Å²	188	89.7 Å²	89.7	88%	0.879	45%	0.452	S	S	*	.			trans	-64.6	-15.2	179.6	-64.9	-62.5	-48.2	0	0	113.9
105	G	94.8	Very high	82.1	Confident	27 Å²	27	83.5 Å²	83.5	28%	0.278	43%	0.429	S	S	.	.			trans	84.2	150	-177.5	0	0	0	0	0	113.2	Y86 G103	Y86-G105 CarbonylContact O-C 3.51Å; Y86-G105 VanDerWaalsContact O-CA 3.23Å; Y86-G105 WeakPolarHBondContact O-CA 3.33Å; G103-G105 PolarHBondContact O-N 3.49Å; G103-G105 VanDerWaalsContact O-N 3.11Å
106	T	96.4	Very high	84.2	Confident	50 Å²	50	87 Å²	87	31%	0.307	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.1	176.1	-61.8	0	0	0	0	108.6	Y86 V108	Y86-T106 PolarHBondContact N-O 3.32Å; Y86-T106 PolarHBondContact O-N 3.5Å; T106-V108 HydrophobicContact CG2-CG2 4.48Å; T106-V108 PolarHBondContact O-N 3.37Å
107	S	97.1	Very high	86.3	Confident	44 Å²	44	78.2 Å²	78.2	31%	0.308	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	126.5	170.6	174.3	0	0	0	0	109.9	A1 E2	A1-S107 CarbonylContact C-O 3.37Å; A1-S107 WeakPolarHBondContact CA-O 3.49Å; E2-S107 PolarHBondContact N-O 3.26Å
108	V	96.9	Very high	88.6	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130	170	178	0	0	0	0	107.3	E2 V4 M12 L78 S83 A84 Y86 T106 V110	E2-V108 CarbonylContact O-C 3.57Å; E2-V108 WeakPolarHBondContact O-CA 3.38Å; V4-V108 HydrophobicContact CG2-CG1 4.15Å; M12-V108 HydrophobicContact CE-CG2 4.33Å; L78-V108 HydrophobicContact CD1-CG1 4.35Å; S83-V108 CarbonylContact C-O 3.5Å; S83-V108 VanDerWaalsContact CA-O 3.29Å; S83-V108 WeakPolarHBondContact CA-O 3.32Å; A84-V108 PolarHBondContact N-O 2.8Å; A84-V108 PolarHBondContact O-N 3.14Å; Y86-V108 HydrophobicContact CD2-CB 4.05Å; Y86-V108 HydrophobicContact CD2-CG2 3.79Å; Y86-V108 HydrophobicContact CE2-CB 3.88Å; Y86-V108 HydrophobicContact CE2-CG2 4.04Å; T106-V108 HydrophobicContact CG2-CG2 4.48Å; T106-V108 PolarHBondContact O-N 3.37Å; V108-V110 HydrophobicContact CG1-CG2 4.35Å
109	T	97.3	Very high	90.9	Very high	59 Å²	59	72.2 Å²	72.2	36%	0.362	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127.7	176.7	-58.2	0	0	0	0	108.9	E2 L3 V4	E2-T109 PolarHBondContact O-N 3.33Å; L3-T109 WeakPolarHBondContact CA-O 3.33Å; L3-T109 HydrophobicContact CD1-CG2 3.76Å; V4-T109 PolarHBondContact N-O 3.41Å
110	V	96.6	Very high	92.6	Very high	8 Å²	8	72.3 Å²	72.3	5%	0.048	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	110	-179.5	-169	0	0	0	0	108.9	V4 P6 L78 T79 D82 S83 V108	V4-V110 HydrophobicContact CG2-CB 4.38Å; V4-V110 HydrophobicContact CG2-CG1 4.43Å; V4-V110 HydrophobicContact CG2-CG2 3.82Å; V4-V110 WeakPolarHBondContact O-CA 3.4Å; P6-V110 HydrophobicContact CB-CG1 4.41Å; P6-V110 HydrophobicContact CG-CG1 4.16Å; L78-V110 HydrophobicContact CB-CG1 4.27Å; L78-V110 HydrophobicContact CB-CG2 4Å; L78-V110 HydrophobicContact CD1-CG2 4.27Å; T79-V110 WeakPolarHBondContact O-CB 3.37Å; T79-V110 WeakPolarHBondContact O-CG2 3.29Å; D82-V110 HydrophobicContact CB-CG2 4.3Å; S83-V110 PolarHBondContact OG-N 2.75Å; V108-V110 HydrophobicContact CG1-CG2 4.35Å
111	S	92.9	Very high	94.3	Very high	114 Å²	114	70 Å²	70	80%	0.797	39%	0.386	S	S	*	.			trans	-146	0	-177.2	67.9	0	0	0	0	112.6	L3 V4	L3-S111 WeakPolarHBondContact CD1-OG 3.46Å; V4-S111 PolarHBondContact O-N 3.18Å; V4-S111 VanDerWaalsContact O-N 3.15Å

Retrieved 111 of 111 residues in 49.4 ms (Link to these results)

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