X5J545_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J545, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 111 aa.

						>X5J545_MOUSE|X5J545
PDLVKPSQSLSLTCTVTDYSITSGYTWNWIRQFPGNKLEWMGFIHYSGSTNYNPSLKSRISITRDTSKNQYYLQLNSVTTEDTATYFCARCHSYNYAMDYWGQGTSVTVSS
					

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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	P	59.6	Low	81.6	Confident	136 Å²	136	82.1 Å²	82.1	88%	0.883	48%	0.475	S	S	*	.				0	117.6	0	-14	30.2	0	0	0	108.8	S106	P1-S106 CarbonylContact C-O 3.53Å; P1-S106 WeakPolarHBondContact CA-O 3.38Å
2	D	74.8	Confident	82.8	Confident	87 Å²	87	75.9 Å²	75.9	47%	0.465	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	128.1	176.4	-75.5	-23.1	0	0	0	109.4	S106 V107 T108	D2-S106 PolarHBondContact N-O 3.41Å; D2-V107 HydrophobicContact CB-CG2 4.45Å; D2-V107 WeakPolarHBondContact O-CA 3.2Å; D2-T108 PolarHBondContact O-N 2.58Å
3	L	77.8	Confident	83.9	Confident	130 Å²	130	75.5 Å²	75.5	68%	0.681	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	118.4	177.6	-175.2	67.7	0	0	0	109.1	T108 S110	L3-T108 WeakPolarHBondContact CA-O 3.49Å; L3-T108 HydrophobicContact CD1-CG2 4.41Å; L3-S110 WeakPolarHBondContact CD1-OG 3.29Å
4	V	79.1	Confident	84.8	Confident	16 Å²	16	70.9 Å²	70.9	10%	0.097	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.4	-177.1	-172.5	0	0	0	0	109.7	Q8 L10 V78 V107 T108 V109 S110	V4-Q8 HydrophobicContact CG1-CB 3.83Å; V4-L10 HydrophobicContact CG2-CD1 4.14Å; V4-V78 HydrophobicContact CG1-CG2 3.79Å; V4-V107 HydrophobicContact CG2-CG1 4.16Å; V4-T108 PolarHBondContact N-O 2.91Å; V4-V109 HydrophobicContact CB-CG2 4.49Å; V4-V109 WeakPolarHBondContact O-CA 3.36Å; V4-S110 PolarHBondContact O-N 3.48Å
5	K	79	Confident	85.5	Confident	139 Å²	139	70.9 Å²	70.9	60%	0.604	41%	0.414	S	S	*	.			trans	-82.1	151.3	175.4	-65.5	-174.1	179.2	-174.3	0	110.7	Q8 V78	K5-Q8 HydrophobicContact CB-CG 4.22Å; K5-Q8 WeakPolarHBondContact O-CB 3.44Å; K5-Q8 WeakPolarHBondContact O-CG 3.31Å; K5-Q8 PolarHBondContact O-N 3.18Å; K5-V78 WeakPolarHBondContact O-CG2 3.32Å
6	P	80.8	Confident	86	Confident	50 Å²	50	67.3 Å²	67.3	33%	0.325	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	150.7	173.5	-25.5	34.2	0	0	0	112.7	Q8 V78 V109 S110	P6-Q8 PolarHBondContact O-N 3.39Å; P6-Q8 VanDerWaalsContact O-N 3.11Å; P6-V78 WeakPolarHBondContact CA-O 3.36Å; P6-V109 HydrophobicContact CG-CG1 4.26Å; P6-S110 WeakPolarHBondContact CD-O 3.41Å
7	S	80.1	Confident	86.1	Confident	103 Å²	103	67.8 Å²	67.8	72%	0.72	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	-0.7	-179.4	-51.1	0	0	0	0	115.7	V78	S7-V78 PolarHBondContact N-O 3.3Å
8	Q	87.8	Confident	86.1	Confident	98 Å²	98	72.4 Å²	72.4	46%	0.458	42%	0.42	S	S	.	.			trans	-78.3	170.6	168.8	-64.2	-173.8	-37.4	0	0	111	V4 K5 P6 S77 V78	V4-Q8 HydrophobicContact CG1-CB 3.83Å; K5-Q8 HydrophobicContact CB-CG 4.22Å; K5-Q8 WeakPolarHBondContact O-CB 3.44Å; K5-Q8 WeakPolarHBondContact O-CG 3.31Å; K5-Q8 PolarHBondContact O-N 3.18Å; P6-Q8 PolarHBondContact O-N 3.39Å; P6-Q8 VanDerWaalsContact O-N 3.11Å; Q8-S77 PolarHBondContact O-N 3.02Å; Q8-V78 WeakPolarHBondContact O-CG2 3.25Å; Q8-V78 PolarHBondContact O-N 2.93Å
9	S	90.7	Very high	86.1	Confident	67 Å²	67	74.2 Å²	74.2	47%	0.469	42%	0.42	S	S	.	.			trans	-104.1	130.7	172.3	-60.6	0	0	0	0	109.9	Q74 L75 N76	S9-Q74 VanDerWaalsContact CB-NE2 3.27Å; S9-L75 CarbonylContact C-O 3.5Å; S9-L75 VanDerWaalsContact CA-O 3.31Å; S9-L75 WeakPolarHBondContact CA-O 3.28Å; S9-N76 WeakPolarHBondContact CB-OD1 3.31Å; S9-N76 PolarHBondContact OG-OD1 2.85Å
10	L	92.6	Very high	86.3	Confident	9 Å²	9	73.3 Å²	73.3	5%	0.047	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	127.9	174.5	170.5	69.8	0	0	0	109	V4 L12 Q74 L75 V78 Y86 V107	V4-L10 HydrophobicContact CG2-CD1 4.14Å; L10-L12 HydrophobicContact CD1-CD2 4Å; L10-L12 HydrophobicContact CD1-CG 4.18Å; L10-L12 HydrophobicContact CD2-CD1 4.05Å; L10-L12 HydrophobicContact CD2-CG 4.17Å; L10-L12 HydrophobicContact CG-CD1 4.46Å; L10-L12 HydrophobicContact CG-CD2 4.4Å; L10-L12 HydrophobicContact CG-CG 4.03Å; L10-Q74 VanDerWaalsContact C-NE2 3.32Å; L10-Q74 WeakPolarHBondContact O-CA 3.49Å; L10-Q74 PolarHBondContact O-NE2 3.44Å; L10-L75 HydrophobicContact CB-CB 4.42Å; L10-L75 PolarHBondContact N-O 3.04Å; L10-L75 PolarHBondContact O-N 3.01Å; L10-V78 HydrophobicContact CB-CG1 3.83Å; L10-Y86 HydrophobicContact CD2-CE2 4.27Å; L10-V107 HydrophobicContact CD1-CG1 4.11Å; L10-V107 HydrophobicContact CD1-CG2 4.11Å; L10-V107 HydrophobicContact CD2-CB 4.45Å; L10-V107 HydrophobicContact CD2-CG1 4.02Å; L10-V107 HydrophobicContact CD2-CG2 4.1Å
11	S	94.9	Very high	86.6	Confident	68 Å²	68	69.8 Å²	69.8	48%	0.476	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.8	173.5	-156.9	0	0	0	0	109.5	L73 Q74	S11-L73 CarbonylContact C-O 3.5Å; S11-L73 WeakPolarHBondContact CA-O 3.39Å; S11-Q74 VanDerWaalsContact CB-OE1 3.32Å; S11-Q74 PolarHBondContact OG-OE1 2.96Å
12	L	96.3	Very high	88.2	Confident	8 Å²	8	66.5 Å²	66.5	4%	0.042	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	141.7	177.8	-65.1	174.9	0	0	0	109.9	L10 W29 Y72 L73 Y86 T105 V107	L10-L12 HydrophobicContact CD1-CD2 4Å; L10-L12 HydrophobicContact CD1-CG 4.18Å; L10-L12 HydrophobicContact CD2-CD1 4.05Å; L10-L12 HydrophobicContact CD2-CG 4.17Å; L10-L12 HydrophobicContact CG-CD1 4.46Å; L10-L12 HydrophobicContact CG-CD2 4.4Å; L10-L12 HydrophobicContact CG-CG 4.03Å; L12-W29 HydrophobicContact CB-CH2 3.6Å; L12-W29 HydrophobicContact CB-CZ2 4.2Å; L12-W29 HydrophobicContact CB-CZ3 3.97Å; L12-W29 HydrophobicContact CD1-CZ3 4.13Å; L12-Y72 CarbonylContact O-C 3.58Å; L12-Y72 WeakPolarHBondContact O-CA 2.87Å; L12-L73 HydrophobicContact CB-CB 4.4Å; L12-L73 HydrophobicContact CD1-CD2 4.3Å; L12-L73 PolarHBondContact N-O 3.01Å; L12-L73 PolarHBondContact O-N 3.01Å; L12-Y86 HydrophobicContact CD1-CD1 3.66Å; L12-Y86 HydrophobicContact CD1-CD2 4.05Å; L12-Y86 HydrophobicContact CD1-CE1 4.46Å; L12-Y86 HydrophobicContact CD1-CG 3.42Å; L12-Y86 VanDerWaalsContact CD1-CG 3.42Å; L12-T105 HydrophobicContact CD2-CG2 4.13Å; L12-V107 HydrophobicContact CD2-CG2 4.25Å
13	T	96.9	Very high	88.9	Confident	71 Å²	71	64 Å²	64	44%	0.436	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135.9	178.3	-57.6	0	0	0	0	109.4	Q70 Y72	T13-Q70 HydrophobicContact CG2-CB 4.34Å; T13-Q70 HydrophobicContact CG2-CG 4.1Å; T13-Y72 HydrophobicContact CG2-CD1 3.8Å; T13-Y72 HydrophobicContact CG2-CE1 3.44Å; T13-Y72 VanDerWaalsContact CG2-CE1 3.44Å; T13-Y72 VanDerWaalsContact OG1-CD1 3.24Å; T13-Y72 WeakPolarHBondContact OG1-CD1 3.15Å; T13-Y72 WeakPolarHBondContact OG1-CE1 3.44Å
14	C	96.4	Very high	89.4	Confident	11 Å²	11	59.2 Å²	59.2	7%	0.074	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.2	163.8	-172.2	0	0	0	0	110	W29 Q70 Y71 C88	C14-W29 HydrophobicContact CB-CH2 4.02Å; C14-W29 HydrophobicContact CB-CZ2 3.97Å; C14-Q70 WeakPolarHBondContact O-CA 3.4Å; C14-Y71 HydrophobicContact CB-CD1 3.96Å; C14-Y71 HydrophobicContact CB-CE1 3.51Å; C14-Y71 HydrophobicContact CB-CE2 4.41Å; C14-Y71 PolarHBondContact N-O 2.94Å; C14-Y71 PolarHBondContact O-N 3.02Å; C14-C88 HydrophobicContact CB-CB 3.41Å; C14-C88 VanDerWaalsContact CB-CB 3.41Å; C14-C88 WeakPolarHBondContact CB-SG 3.38Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2.05Å; C14-C88 PolarHBondContact SG-SG 2.75Å
15	T	95.6	Very high	90	Very high	70 Å²	70	60 Å²	60	43%	0.429	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.6	175.5	-56.7	0	0	0	0	108.6	Q70	T15-Q70 HydrophobicContact CG2-CG 4.18Å; T15-Q70 PolarHBondContact OG1-NE2 3.27Å
16	V	92.9	Very high	90.7	Very high	14 Å²	14	54.1 Å²	54.1	9%	0.085	33%	0.325	C	S	.	.			trans	-83.3	124.4	173.8	-177.1	0	0	0	0	107.8	Y19 I21 W27 N69 Y71	V16-Y19 WeakPolarHBondContact CG1-O 3.23Å; V16-I21 HydrophobicContact CG2-CB 4.38Å; V16-I21 HydrophobicContact CG2-CD1 4.18Å; V16-I21 HydrophobicContact CG2-CG1 4.17Å; V16-W27 HydrophobicContact CB-CZ3 4.44Å; V16-W27 HydrophobicContact CG1-CH2 3.62Å; V16-W27 HydrophobicContact CG1-CZ2 4.42Å; V16-W27 HydrophobicContact CG1-CZ3 3.77Å; V16-W27 HydrophobicContact CG2-CD2 4.27Å; V16-W27 HydrophobicContact CG2-CE3 3.84Å; V16-W27 HydrophobicContact CG2-CH2 4.1Å; V16-W27 HydrophobicContact CG2-CZ3 3.72Å; V16-N69 PolarHBondContact N-O 2.89Å; V16-N69 PolarHBondContact O-ND2 3.07Å; V16-Y71 HydrophobicContact CG2-CD1 4.14Å; V16-Y71 HydrophobicContact CG2-CE1 4.14Å
17	T	89.1	Confident	91.3	Very high	76 Å²	76	52.1 Å²	52.1	47%	0.466	31%	0.311	S	S	.	.			trans	-105.4	155.6	171.6	60.8	0	0	0	0	109.4	Y19	T17-Y19 PolarHBondContact O-N 2.78Å
18	D	86.3	Confident	92.1	Very high	151 Å²	151	47.5 Å²	47.5	81%	0.807	28%	0.278	S	S	*	.	S	Bend	trans	65.7	-10.4	173.1	-44.7	-57.4	0	0	0	116.8
19	Y	84.8	Confident	92.5	Very high	105 Å²	105	43 Å²	43	41%	0.412	26%	0.257	S	S	.	.	S	Bend	trans	-137	154.1	-179.6	-67.7	-91.7	0	0	0	111.1	V16 T17 Y25 N69	V16-Y19 WeakPolarHBondContact CG1-O 3.23Å; T17-Y19 PolarHBondContact O-N 2.78Å; Y19-Y25 HydrophobicContact CD1-CE2 4.36Å; Y19-N69 PolarHBondContact O-ND2 2.92Å; Y19-N69 PolarHBondContact O-OD1 2.84Å
20	S	91	Very high	92.8	Very high	56 Å²	56	40.1 Å²	40.1	39%	0.392	24%	0.236	S	C	.	.			trans	-79.2	137.1	168.1	176.1	0	0	0	0	111	T22 S23	S20-T22 PolarHBondContact O-N 3.2Å; S20-T22 VanDerWaalsContact O-N 3.08Å; S20-T22 PolarHBondContact OG-N 3.3Å; S20-T22 VanDerWaalsContact OG-N 3.16Å; S20-T22 PolarHBondContact OG-OG1 2.94Å; S20-S23 VanDerWaalsContact O-CB 3.29Å; S20-S23 WeakPolarHBondContact O-CB 3.44Å; S20-S23 PolarHBondContact O-N 3.4Å; S20-S23 PolarHBondContact O-OG 3.16Å
21	I	92.9	Very high	93	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.3	173.4	-159.9	167.5	0	0	0	113.1	V16 W27 R64 T66 N69 Q70 Y71	V16-I21 HydrophobicContact CG2-CB 4.38Å; V16-I21 HydrophobicContact CG2-CD1 4.18Å; V16-I21 HydrophobicContact CG2-CG1 4.17Å; I21-W27 HydrophobicContact CB-CZ2 4.5Å; I21-W27 HydrophobicContact CG1-CD2 4.15Å; I21-W27 HydrophobicContact CG1-CG 4.14Å; I21-W27 HydrophobicContact CG1-CZ2 4.31Å; I21-W27 PolarHBondContact O-NE1 2.89Å; I21-R64 HydrophobicContact CD1-CB 4.33Å; I21-R64 HydrophobicContact CD1-CG 3.68Å; I21-R64 HydrophobicContact CG1-CG 4.19Å; I21-R64 HydrophobicContact CG2-CG 4.22Å; I21-R64 PolarHBondContact O-NH1 2.82Å; I21-T66 HydrophobicContact CG2-CG2 4.08Å; I21-N69 VanDerWaalsContact CB-OD1 3.3Å; I21-N69 WeakPolarHBondContact CB-OD1 3.49Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.39Å; I21-N69 PolarHBondContact N-OD1 3.18Å; I21-Q70 WeakPolarHBondContact CD1-O 3.47Å; I21-Y71 HydrophobicContact CD1-CD1 4.03Å; I21-Y71 HydrophobicContact CD1-CG 4.3Å
22	T	93.1	Very high	93.1	Very high	68 Å²	68	39.4 Å²	39.4	42%	0.417	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	0.6	173.2	62.2	0	0	0	0	113.4	S20 Y46 T66	S20-T22 PolarHBondContact O-N 3.2Å; S20-T22 VanDerWaalsContact O-N 3.08Å; S20-T22 PolarHBondContact OG-N 3.3Å; S20-T22 VanDerWaalsContact OG-N 3.16Å; S20-T22 PolarHBondContact OG-OG1 2.94Å; T22-Y46 WeakPolarHBondContact O-CD2 3.42Å; T22-T66 HydrophobicContact CG2-CG2 3.55Å
23	S	87.9	Confident	93.1	Very high	34 Å²	34	40.9 Å²	40.9	24%	0.238	23%	0.231	C	C	.	.	S	Bend	trans	-71.3	151	170.3	63.6	0	0	0	0	110.4	S20 Y25 Y46	S20-S23 VanDerWaalsContact O-CB 3.29Å; S20-S23 WeakPolarHBondContact O-CB 3.44Å; S20-S23 PolarHBondContact O-N 3.4Å; S20-S23 PolarHBondContact O-OG 3.16Å; S23-Y25 WeakPolarHBondContact O-CD2 3.45Å; S23-Y25 PolarHBondContact O-N 2.74Å; S23-Y25 WeakPolarHBondContact OG-CD2 3.34Å; S23-Y25 VanDerWaalsContact OG-CE2 3.25Å; S23-Y25 WeakPolarHBondContact OG-CE2 3.49Å; S23-Y46 WeakPolarHBondContact O-CB 3.37Å
24	G	88.8	Confident	92.9	Very high	29 Å²	29	42.7 Å²	42.7	30%	0.299	24%	0.243	S	C	.	.	S	Bend	trans	-54.9	48.8	-165.9	0	0	0	0	0	119.2	Y46 S93	G24-Y46 VanDerWaalsContact CA-CD1 3.42Å; G24-S93 PolarHBondContact O-N 3.01Å; G24-S93 PolarHBondContact O-OG 3.4Å
25	Y	91.6	Very high	92.7	Very high	33 Å²	33	45.7 Å²	45.7	13%	0.129	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	169.4	-172.9	-60.7	-89.4	0	0	0	111.4	Y19 S23 W27 Y46 R90 C91 H92	Y19-Y25 HydrophobicContact CD1-CE2 4.36Å; S23-Y25 WeakPolarHBondContact O-CD2 3.45Å; S23-Y25 PolarHBondContact O-N 2.74Å; S23-Y25 WeakPolarHBondContact OG-CD2 3.34Å; S23-Y25 VanDerWaalsContact OG-CE2 3.25Å; S23-Y25 WeakPolarHBondContact OG-CE2 3.49Å; Y25-W27 HydrophobicContact CD2-CH2 4.49Å; Y25-W27 HydrophobicContact CD2-CZ2 4.36Å; Y25-Y46 WeakPolarHBondContact O-CB 3.49Å; Y25-Y46 PolarHBondContact O-N 2.69Å; Y25-R90 VanDerWaalsContact CD1-CD 3.48Å; Y25-R90 HydrophobicContact CD1-CG 3.57Å; Y25-R90 HydrophobicContact CE1-CG 4.27Å; Y25-R90 HydrophobicContact CG-CG 3.87Å; Y25-C91 CarbonylContact C-O 3.59Å; Y25-C91 WeakPolarHBondContact CA-O 3.16Å; Y25-H92 HydrophobicContact CD1-CB 4.14Å; Y25-H92 AromaticContact CD1-CD2 3.85Å; Y25-H92 HydrophobicContact CE1-CB 4.17Å; Y25-H92 AromaticContact CE1-CD2 3.32Å; Y25-H92 WeakPolarHBondContact CE1-CD2 3.3Å; Y25-H92 AromaticContact CZ-CD2 3.73Å
26	T	93.3	Very high	92.4	Very high	16 Å²	16	48.2 Å²	48.2	10%	0.098	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	142.3	162.2	56	0	0	0	0	110.1	N28 F43 H45 R90 C91	T26-N28 PolarHBondContact O-ND2 3.17Å; T26-N28 PolarHBondContact OG1-ND2 2.94Å; T26-F43 HydrophobicContact CG2-CD2 3.8Å; T26-F43 HydrophobicContact CG2-CE2 3.93Å; T26-F43 HydrophobicContact CG2-CG 4.24Å; T26-F43 HydrophobicContact CG2-CZ 4.45Å; T26-H45 HydrophobicContact CG2-CB 4.38Å; T26-R90 WeakPolarHBondContact O-CA 3.29Å; T26-C91 PolarHBondContact N-O 2.93Å; T26-C91 PolarHBondContact O-N 2.58Å; T26-C91 WeakPolarHBondContact OG1-CB 3.36Å; T26-C91 PolarHBondContact OG1-O 3.08Å
27	W	95	Very high	92.5	Very high	7 Å²	7	54.3 Å²	54.3	3%	0.027	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	108.9	178.6	-50.4	104	0	0	0	108.1	V16 I21 Y25 F43 I44 Y71 R90	V16-W27 HydrophobicContact CB-CZ3 4.44Å; V16-W27 HydrophobicContact CG1-CH2 3.62Å; V16-W27 HydrophobicContact CG1-CZ2 4.42Å; V16-W27 HydrophobicContact CG1-CZ3 3.77Å; V16-W27 HydrophobicContact CG2-CD2 4.27Å; V16-W27 HydrophobicContact CG2-CE3 3.84Å; V16-W27 HydrophobicContact CG2-CH2 4.1Å; V16-W27 HydrophobicContact CG2-CZ3 3.72Å; I21-W27 HydrophobicContact CB-CZ2 4.5Å; I21-W27 HydrophobicContact CG1-CD2 4.15Å; I21-W27 HydrophobicContact CG1-CG 4.14Å; I21-W27 HydrophobicContact CG1-CZ2 4.31Å; I21-W27 PolarHBondContact O-NE1 2.89Å; Y25-W27 HydrophobicContact CD2-CH2 4.49Å; Y25-W27 HydrophobicContact CD2-CZ2 4.36Å; W27-F43 CarbonylContact O-C 3.54Å; W27-F43 WeakPolarHBondContact O-CA 3.32Å; W27-F43 WeakPolarHBondContact O-CB 3.4Å; W27-I44 HydrophobicContact CB-CG2 3.96Å; W27-I44 PolarHBondContact N-O 3.16Å; W27-I44 PolarHBondContact O-N 2.82Å; W27-Y71 HydrophobicContact CB-CD1 4.01Å; W27-Y71 HydrophobicContact CB-CD2 3.87Å; W27-Y71 HydrophobicContact CB-CE1 3.85Å; W27-Y71 HydrophobicContact CB-CE2 3.73Å; W27-Y71 HydrophobicContact CB-CG 3.98Å; W27-Y71 HydrophobicContact CE3-CE1 4.28Å; W27-Y71 HydrophobicContact CG-CD1 4.42Å; W27-Y71 HydrophobicContact CG-CE1 4.4Å; W27-R90 HydrophobicContact CE3-CB 4.19Å; W27-R90 HydrophobicContact CE3-CG 4.05Å; W27-R90 HydrophobicContact CH2-CG 4.02Å; W27-R90 HydrophobicContact CZ3-CB 3.91Å; W27-R90 HydrophobicContact CZ3-CG 3.57Å
28	N	95.8	Very high	92.8	Very high	6 Å²	6	55 Å²	55	3%	0.032	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	150.7	-167.3	-67.8	-96.1	0	0	0	110.5	T26 W40 G42 F43 Y71 C88 A89 M98	T26-N28 PolarHBondContact O-ND2 3.17Å; T26-N28 PolarHBondContact OG1-ND2 2.94Å; N28-W40 PolarHBondContact OD1-NE1 3.05Å; N28-W40 VanDerWaalsContact OD1-NE1 3.14Å; N28-G42 WeakPolarHBondContact CA-O 3.37Å; N28-F43 HydrophobicContact CB-CB 4.42Å; N28-F43 WeakPolarHBondContact OD1-CB 3.39Å; N28-Y71 PolarHBondContact O-OH 2.86Å; N28-C88 WeakPolarHBondContact O-CA 3.49Å; N28-A89 HydrophobicContact CB-CB 4.24Å; N28-A89 WeakPolarHBondContact CB-O 3.24Å; N28-A89 PolarHBondContact N-O 3Å; N28-A89 PolarHBondContact O-N 2.93Å; N28-M98 HydrophobicContact CB-CE 4.18Å
29	W	97.3	Very high	93.3	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.015	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	130.4	167.4	-78.2	103.2	0	0	0	109.9	L12 C14 M41 G42 Y71 L73	L12-W29 HydrophobicContact CB-CH2 3.6Å; L12-W29 HydrophobicContact CB-CZ2 4.2Å; L12-W29 HydrophobicContact CB-CZ3 3.97Å; L12-W29 HydrophobicContact CD1-CZ3 4.13Å; C14-W29 HydrophobicContact CB-CH2 4.02Å; C14-W29 HydrophobicContact CB-CZ2 3.97Å; W29-M41 HydrophobicContact CB-CB 4.25Å; W29-M41 WeakPolarHBondContact O-CB 3.43Å; W29-M41 PolarHBondContact O-N 2.75Å; W29-G42 PolarHBondContact N-O 3.31Å; W29-Y71 AromaticContact CD1-CD2 3.91Å; W29-Y71 AromaticContact CD1-CE2 3.67Å; W29-Y71 HydrophobicContact CD2-CE2 4.32Å; W29-Y71 AromaticContact CE2-CD2 3.94Å; W29-Y71 AromaticContact CE2-CE2 3.67Å; W29-Y71 HydrophobicContact CG-CE2 4.33Å; W29-Y71 HydrophobicContact CZ2-CD2 4.36Å; W29-Y71 HydrophobicContact CZ2-CE2 4.2Å; W29-Y71 AromaticContact NE1-CD2 3.23Å; W29-Y71 AromaticContact NE1-CE2 3.23Å; W29-L73 HydrophobicContact CB-CD2 4.19Å; W29-L73 HydrophobicContact CD2-CB 3.66Å; W29-L73 HydrophobicContact CD2-CD2 3.96Å; W29-L73 HydrophobicContact CD2-CG 4.41Å; W29-L73 VanDerWaalsContact CE2-CB 3.45Å; W29-L73 HydrophobicContact CE3-CB 4.31Å; W29-L73 HydrophobicContact CE3-CD2 4.07Å; W29-L73 HydrophobicContact CG-CB 3.86Å; W29-L73 HydrophobicContact CG-CD2 4.03Å; W29-L73 HydrophobicContact CG-CG 4.37Å; W29-L73 HydrophobicContact CZ2-CB 3.95Å
30	I	96.9	Very high	93.8	Very high	6 Å²	6	48.5 Å²	48.5	3%	0.031	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	138.8	-176.5	-56.7	159.5	0	0	0	106.8	L38 E39 Y86 F87 A89 M98 W101	I30-L38 HydrophobicContact CG2-CB 4.38Å; I30-L38 HydrophobicContact CG2-CD2 3.95Å; I30-E39 WeakPolarHBondContact CA-O 3.32Å; I30-Y86 CarbonylContact O-C 3.6Å; I30-F87 PolarHBondContact N-O 2.73Å; I30-F87 PolarHBondContact O-N 2.83Å; I30-A89 HydrophobicContact CD1-CB 3.72Å; I30-M98 HydrophobicContact CD1-CE 3.68Å; I30-M98 HydrophobicContact CD1-SD 3.35Å; I30-M98 WeakPolarHBondContact CD1-SD 3.38Å; I30-M98 HydrophobicContact CG1-CE 4.46Å; I30-W101 HydrophobicContact CB-CH2 4.28Å; I30-W101 HydrophobicContact CB-CZ3 4.1Å; I30-W101 HydrophobicContact CD1-CE3 4.34Å; I30-W101 HydrophobicContact CD1-CH2 3.23Å; I30-W101 HydrophobicContact CD1-CZ2 3.68Å; I30-W101 HydrophobicContact CD1-CZ3 3.6Å; I30-W101 HydrophobicContact CG1-CH2 4.3Å; I30-W101 HydrophobicContact CG1-CZ3 4.46Å; I30-W101 HydrophobicContact CG2-CH2 3.96Å; I30-W101 HydrophobicContact CG2-CZ3 4Å
31	R	96.6	Very high	94.1	Very high	13 Å²	13	45.9 Å²	45.9	5%	0.049	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	142.7	172.9	64.8	-178.6	178	172.1	8	110.8	F33 L38 E39 M41 D82 A84 T85 Y86	R31-F33 HydrophobicContact CG-CE2 4.35Å; R31-F33 HydrophobicContact CG-CZ 4.21Å; R31-L38 CarbonylContact O-C 3.58Å; R31-L38 WeakPolarHBondContact O-CA 3.21Å; R31-E39 HydrophobicContact CG-CB 4.13Å; R31-E39 IonicContact CZ-OE2 3.91Å; R31-E39 PolarHBondContact N-O 2.9Å; R31-E39 IonicContact NE-OE2 2.69Å; R31-E39 PolarHBondContact NE-OE2 2.89Å; R31-E39 IonicContact NH2-OE2 3.74Å; R31-E39 PolarHBondContact NH2-OE2 3.48Å; R31-E39 PolarHBondContact O-N 3.49Å; R31-M41 HydrophobicContact CB-SD 3.97Å; R31-M41 HydrophobicContact CG-CG 4.07Å; R31-M41 HydrophobicContact CG-SD 3.97Å; R31-D82 IonicContact CZ-OD1 2.71Å; R31-D82 IonicContact NH1-OD1 3.67Å; R31-D82 PolarHBondContact NH1-OD1 2.82Å; R31-D82 IonicContact NH2-OD1 2.74Å; R31-A84 HydrophobicContact CB-CB 3.93Å; R31-A84 HydrophobicContact CG-CB 4.49Å; R31-T85 CarbonylContact C-O 3.48Å; R31-T85 WeakPolarHBondContact CA-O 3.46Å; R31-Y86 HydrophobicContact CB-CD1 3.87Å; R31-Y86 HydrophobicContact CB-CE1 3.87Å; R31-Y86 HydrophobicContact CB-CG 4.33Å
32	Q	97.5	Very high	94.2	Very high	49 Å²	49	45.9 Å²	45.9	23%	0.229	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	118.6	176.3	-168.3	-178.4	37.4	0	0	109.2	N36 K37 L38 A84 T85 F87	Q32-N36 PolarHBondContact NE2-OD1 3.12Å; Q32-K37 WeakPolarHBondContact CA-O 3.46Å; Q32-L38 HydrophobicContact CB-CD2 3.63Å; Q32-L38 HydrophobicContact CG-CD2 3.76Å; Q32-L38 HydrophobicContact CG-CG 4.45Å; Q32-A84 WeakPolarHBondContact O-CA 3.35Å; Q32-A84 VanDerWaalsContact O-CB 3.29Å; Q32-A84 WeakPolarHBondContact O-CB 3.44Å; Q32-T85 PolarHBondContact N-O 2.73Å; Q32-T85 PolarHBondContact O-N 3.41Å; Q32-F87 HydrophobicContact CB-CD2 4.26Å; Q32-F87 HydrophobicContact CB-CE2 3.64Å
33	F	96	Very high	94.4	Very high	40 Å²	40	44.9 Å²	44.9	18%	0.175	25%	0.25	C	C	.	.			trans	-78.5	159.5	175.6	-62.4	-74.9	0	0	0	111.3	R31 G35 N36 K37 E39 E81 A84	R31-F33 HydrophobicContact CG-CE2 4.35Å; R31-F33 HydrophobicContact CG-CZ 4.21Å; F33-G35 PolarHBondContact O-N 2.91Å; F33-N36 PolarHBondContact O-N 2.62Å; F33-K37 HydrophobicContact CB-CB 4.47Å; F33-K37 HydrophobicContact CD2-CB 4.35Å; F33-K37 HydrophobicContact CD2-CD 4.4Å; F33-K37 HydrophobicContact CD2-CG 4.37Å; F33-K37 WeakPolarHBondContact CD2-O 3.3Å; F33-K37 PolarHBondContact N-O 2.71Å; F33-E39 HydrophobicContact CE2-CB 3.86Å; F33-E81 VanDerWaalsContact CE1-O 3.31Å; F33-E81 WeakPolarHBondContact CE1-O 3.19Å; F33-A84 HydrophobicContact CD1-CB 4.17Å; F33-A84 HydrophobicContact CE1-CB 4.41Å
34	P	91.4	Very high	94.8	Very high	108 Å²	108	43.7 Å²	43.7	70%	0.701	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.3	131.2	161.9	-24.9	34.6	0	0	0	110.3
35	G	92.4	Very high	95	Very high	75 Å²	75	43.8 Å²	43.8	77%	0.773	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	91	14	-171.5	0	0	0	0	0	114.9	F33 K37	F33-G35 PolarHBondContact O-N 2.91Å; G35-K37 PolarHBondContact O-N 2.9Å
36	N	89.9	Confident	95.1	Very high	123 Å²	123	46.6 Å²	46.6	66%	0.658	24%	0.244	S	C	*	.	S	Bend	trans	65.6	14.2	170.8	-59.2	-44.9	0	0	0	116	Q32 F33 L38	Q32-N36 PolarHBondContact NE2-OD1 3.12Å; F33-N36 PolarHBondContact O-N 2.62Å; N36-L38 PolarHBondContact O-N 3.08Å
37	K	94.7	Very high	95.1	Very high	141 Å²	141	49.5 Å²	49.5	61%	0.613	27%	0.265	S	S	*	.			trans	-72.5	122.5	172.8	-177.4	-177.6	176.7	-173.2	0	109.7	Q32 F33 G35	Q32-K37 WeakPolarHBondContact CA-O 3.46Å; F33-K37 HydrophobicContact CB-CB 4.47Å; F33-K37 HydrophobicContact CD2-CB 4.35Å; F33-K37 HydrophobicContact CD2-CD 4.4Å; F33-K37 HydrophobicContact CD2-CG 4.37Å; F33-K37 WeakPolarHBondContact CD2-O 3.3Å; F33-K37 PolarHBondContact N-O 2.71Å; G35-K37 PolarHBondContact O-N 2.9Å
38	L	95.1	Very high	95	Very high	91 Å²	91	50.8 Å²	50.8	48%	0.476	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	141.6	174.6	-67.7	168.6	0	0	0	110.9	I30 R31 Q32 N36 W101	I30-L38 HydrophobicContact CG2-CB 4.38Å; I30-L38 HydrophobicContact CG2-CD2 3.95Å; R31-L38 CarbonylContact O-C 3.58Å; R31-L38 WeakPolarHBondContact O-CA 3.21Å; Q32-L38 HydrophobicContact CB-CD2 3.63Å; Q32-L38 HydrophobicContact CG-CD2 3.76Å; Q32-L38 HydrophobicContact CG-CG 4.45Å; N36-L38 PolarHBondContact O-N 3.08Å; L38-W101 HydrophobicContact CD1-CH2 4.36Å
39	E	96.4	Very high	95	Very high	41 Å²	41	53.6 Å²	53.6	19%	0.192	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	121.2	171	-178.2	174.9	-123	0	0	109.7	I30 R31 F33	I30-E39 WeakPolarHBondContact CA-O 3.32Å; R31-E39 HydrophobicContact CG-CB 4.13Å; R31-E39 IonicContact CZ-OE2 3.91Å; R31-E39 PolarHBondContact N-O 2.9Å; R31-E39 IonicContact NE-OE2 2.69Å; R31-E39 PolarHBondContact NE-OE2 2.89Å; R31-E39 IonicContact NH2-OE2 3.74Å; R31-E39 PolarHBondContact NH2-OE2 3.48Å; R31-E39 PolarHBondContact O-N 3.49Å; F33-E39 HydrophobicContact CE2-CB 3.86Å
40	W	96	Very high	94.9	Very high	79 Å²	79	56.2 Å²	56.2	30%	0.299	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	130.6	170.4	175.2	80.2	0	0	0	109.4	N28 G42 F43 N51 N53	N28-W40 PolarHBondContact OD1-NE1 3.05Å; N28-W40 VanDerWaalsContact OD1-NE1 3.14Å; W40-G42 VanDerWaalsContact CE2-CA 3.48Å; W40-G42 VanDerWaalsContact CZ2-C 3.47Å; W40-G42 PolarHBondContact NE1-O 2.88Å; W40-F43 HydrophobicContact CH2-CD1 4.44Å; W40-F43 HydrophobicContact CZ2-CB 4.48Å; W40-F43 AromaticContact CZ2-CD1 3.52Å; W40-F43 HydrophobicContact CZ2-CD1 3.52Å; W40-F43 HydrophobicContact CZ2-CE1 4.15Å; W40-F43 HydrophobicContact CZ2-CG 4.35Å; W40-N51 HydrophobicContact CH2-CB 4.31Å; W40-N53 HydrophobicContact CE3-CB 3.97Å; W40-N53 HydrophobicContact CZ3-CB 4.06Å; W40-N53 VanDerWaalsContact CZ3-N 3.31Å; W40-N53 WeakPolarHBondContact O-CB 3.42Å; W40-N53 PolarHBondContact O-ND2 2.89Å
41	M	96.9	Very high	94.9	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-41.5	-177.5	-58.3	-176.9	70	0	0	111.7	W29 R31 N53 L56 I60 L73 Y86	W29-M41 HydrophobicContact CB-CB 4.25Å; W29-M41 WeakPolarHBondContact O-CB 3.43Å; W29-M41 PolarHBondContact O-N 2.75Å; R31-M41 HydrophobicContact CB-SD 3.97Å; R31-M41 HydrophobicContact CG-CG 4.07Å; R31-M41 HydrophobicContact CG-SD 3.97Å; M41-N53 WeakPolarHBondContact O-CB 3.49Å; M41-N53 PolarHBondContact O-N 2.7Å; M41-L56 HydrophobicContact CB-CD1 4.1Å; M41-L56 HydrophobicContact CE-CD1 4.2Å; M41-L56 HydrophobicContact CG-CD1 3.93Å; M41-I60 HydrophobicContact CB-CD1 4.4Å; M41-I60 HydrophobicContact CE-CG2 3.97Å; M41-I60 WeakPolarHBondContact O-CD1 3.41Å; M41-L73 HydrophobicContact CE-CD1 4.29Å; M41-L73 HydrophobicContact CE-CD2 3.71Å; M41-L73 HydrophobicContact SD-CD2 3.72Å; M41-Y86 HydrophobicContact CE-CD1 4.46Å; M41-Y86 HydrophobicContact CE-CE1 3.86Å; M41-Y86 HydrophobicContact SD-CD1 3.71Å; M41-Y86 HydrophobicContact SD-CE1 3.58Å; M41-Y86 VanDerWaalsContact SD-CE1 3.58Å
42	G	96.4	Very high	94.9	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.1	174.8	-174.1	0	0	0	0	0	112.2	N28 W29 W40 N51 I62	N28-G42 WeakPolarHBondContact CA-O 3.37Å; W29-G42 PolarHBondContact N-O 3.31Å; W40-G42 VanDerWaalsContact CE2-CA 3.48Å; W40-G42 VanDerWaalsContact CZ2-C 3.47Å; W40-G42 PolarHBondContact NE1-O 2.88Å; G42-N51 CarbonylContact C-O 3.52Å; G42-N51 WeakPolarHBondContact CA-O 3.18Å; G42-I62 VanDerWaalsContact C-CD1 3.41Å
43	F	95.8	Very high	94.8	Very high	47 Å²	47	60.1 Å²	60.1	21%	0.206	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	161.8	169.9	71.6	-110.9	0	0	0	112.5	T26 W27 N28 W40 H45 T50 N51	T26-F43 HydrophobicContact CG2-CD2 3.8Å; T26-F43 HydrophobicContact CG2-CE2 3.93Å; T26-F43 HydrophobicContact CG2-CG 4.24Å; T26-F43 HydrophobicContact CG2-CZ 4.45Å; W27-F43 CarbonylContact O-C 3.54Å; W27-F43 WeakPolarHBondContact O-CA 3.32Å; W27-F43 WeakPolarHBondContact O-CB 3.4Å; N28-F43 HydrophobicContact CB-CB 4.42Å; N28-F43 WeakPolarHBondContact OD1-CB 3.39Å; W40-F43 HydrophobicContact CH2-CD1 4.44Å; W40-F43 HydrophobicContact CZ2-CB 4.48Å; W40-F43 AromaticContact CZ2-CD1 3.52Å; W40-F43 HydrophobicContact CZ2-CD1 3.52Å; W40-F43 HydrophobicContact CZ2-CE1 4.15Å; W40-F43 HydrophobicContact CZ2-CG 4.35Å; F43-H45 HydrophobicContact CE2-CB 4.22Å; F43-T50 VanDerWaalsContact O-CA 3.3Å; F43-T50 WeakPolarHBondContact O-CA 3.45Å; F43-N51 HydrophobicContact CD1-CB 4.12Å; F43-N51 HydrophobicContact CE1-CB 3.54Å; F43-N51 HydrophobicContact CE2-CB 4.03Å; F43-N51 HydrophobicContact CZ-CB 3.49Å; F43-N51 VanDerWaalsContact CZ-CB 3.49Å; F43-N51 PolarHBondContact N-O 2.05Å; F43-N51 PolarHBondContact O-N 3.08Å
44	I	96.3	Very high	94.8	Very high	9 Å²	9	63.6 Å²	63.6	5%	0.046	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127.5	160.9	-171.3	161.4	0	0	0	109.9	W27 S49 T50 I62 R64 Y71	W27-I44 HydrophobicContact CB-CG2 3.96Å; W27-I44 PolarHBondContact N-O 3.16Å; W27-I44 PolarHBondContact O-N 2.82Å; I44-S49 WeakPolarHBondContact CA-O 3.44Å; I44-T50 HydrophobicContact CB-CG2 3.98Å; I44-T50 HydrophobicContact CD1-CG2 3.95Å; I44-T50 HydrophobicContact CG1-CG2 3.84Å; I44-I62 HydrophobicContact CB-CG2 3.76Å; I44-I62 HydrophobicContact CG2-CG2 3.72Å; I44-R64 HydrophobicContact CD1-CB 3.81Å; I44-Y71 HydrophobicContact CG2-CD2 4.38Å
45	H	94.5	Very high	94.9	Very high	31 Å²	31	62.9 Å²	62.9	14%	0.144	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	158.8	178.8	-173.5	-119.4	0	0	0	110.6	T26 F43 S47 G48 S49 S93	T26-H45 HydrophobicContact CG2-CB 4.38Å; F43-H45 HydrophobicContact CE2-CB 4.22Å; H45-S47 PolarHBondContact ND1-N 3.29Å; H45-S47 PolarHBondContact ND1-OG 2.91Å; H45-S47 PolarHBondContact O-N 2.98Å; H45-S47 VanDerWaalsContact O-N 3.08Å; H45-G48 WeakPolarHBondContact O-CA 3.08Å; H45-G48 PolarHBondContact O-N 2.97Å; H45-S49 WeakPolarHBondContact CB-O 3.48Å; H45-S49 VanDerWaalsContact CB-OG 3.32Å; H45-S49 WeakPolarHBondContact CB-OG 3.44Å; H45-S49 PolarHBondContact N-O 2.86Å; H45-S93 PolarHBondContact CD2-OG 2.84Å; H45-S93 PolarHBondContact NE2-OG 3.04Å
46	Y	92.6	Very high	95	Very high	92 Å²	92	59.5 Å²	59.5	36%	0.361	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.9	176.9	80.4	-95.1	0	0	0	113.6	T22 S23 G24 Y25 G48 R64	T22-Y46 WeakPolarHBondContact O-CD2 3.42Å; S23-Y46 WeakPolarHBondContact O-CB 3.37Å; G24-Y46 VanDerWaalsContact CA-CD1 3.42Å; Y25-Y46 WeakPolarHBondContact O-CB 3.49Å; Y25-Y46 PolarHBondContact O-N 2.69Å; Y46-G48 VanDerWaalsContact C-N 3.31Å; Y46-R64 VanDerWaalsContact C-NH1 3.27Å; Y46-R64 VanDerWaalsContact CA-NH1 3.29Å; Y46-R64 PolarHBondContact O-NH1 3.11Å; Y46-R64 PolarHBondContact O-NH2 3.11Å
47	S	93.1	Very high	95.1	Very high	77 Å²	77	60.2 Å²	60.2	54%	0.538	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-9.1	173.9	67.5	0	0	0	0	113.9	H45 S49	H45-S47 PolarHBondContact ND1-N 3.29Å; H45-S47 PolarHBondContact ND1-OG 2.91Å; H45-S47 PolarHBondContact O-N 2.98Å; H45-S47 VanDerWaalsContact O-N 3.08Å; S47-S49 PolarHBondContact OG-OG 2.8Å
48	G	93.7	Very high	95.2	Very high	35 Å²	35	59 Å²	59	36%	0.361	33%	0.333	S	S	.	.	S	Bend	trans	97.4	-4.2	-179.8	0	0	0	0	0	114.6	H45 Y46	H45-G48 WeakPolarHBondContact O-CA 3.08Å; H45-G48 PolarHBondContact O-N 2.97Å; Y46-G48 VanDerWaalsContact C-N 3.31Å
49	S	94.8	Very high	95.2	Very high	64 Å²	64	57.2 Å²	57.2	45%	0.448	32%	0.32	S	S	.	.			trans	-67.6	143.9	172.4	55.6	0	0	0	0	111.1	I44 H45 S47	I44-S49 WeakPolarHBondContact CA-O 3.44Å; H45-S49 WeakPolarHBondContact CB-O 3.48Å; H45-S49 VanDerWaalsContact CB-OG 3.32Å; H45-S49 WeakPolarHBondContact CB-OG 3.44Å; H45-S49 PolarHBondContact N-O 2.86Å; S47-S49 PolarHBondContact OG-OG 2.8Å
50	T	96.5	Very high	95.2	Very high	59 Å²	59	55.8 Å²	55.8	36%	0.362	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	150.2	-179.3	50.4	0	0	0	0	111.2	F43 I44 Y52	F43-T50 VanDerWaalsContact O-CA 3.3Å; F43-T50 WeakPolarHBondContact O-CA 3.45Å; I44-T50 HydrophobicContact CB-CG2 3.98Å; I44-T50 HydrophobicContact CD1-CG2 3.95Å; I44-T50 HydrophobicContact CG1-CG2 3.84Å; T50-Y52 PolarHBondContact OG1-OH 2.83Å
51	N	95.7	Very high	95.2	Very high	84 Å²	84	54.3 Å²	54.3	45%	0.449	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	147.9	167.8	-159.8	-34.9	0	0	0	108.7	W40 G42 F43	W40-N51 HydrophobicContact CH2-CB 4.31Å; G42-N51 CarbonylContact C-O 3.52Å; G42-N51 WeakPolarHBondContact CA-O 3.18Å; F43-N51 HydrophobicContact CD1-CB 4.12Å; F43-N51 HydrophobicContact CE1-CB 3.54Å; F43-N51 HydrophobicContact CE2-CB 4.03Å; F43-N51 HydrophobicContact CZ-CB 3.49Å; F43-N51 VanDerWaalsContact CZ-CB 3.49Å; F43-N51 PolarHBondContact N-O 2.05Å; F43-N51 PolarHBondContact O-N 3.08Å
52	Y	96.9	Very high	95.2	Very high	41 Å²	41	54.6 Å²	54.6	16%	0.161	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	148	-170.2	-59.5	-67.3	0	0	0	109.9	T50 P54 K57 I60 I62	T50-Y52 PolarHBondContact OG1-OH 2.83Å; Y52-P54 WeakPolarHBondContact O-CD 3.48Å; Y52-K57 HydrophobicContact CD2-CG 4.12Å; Y52-K57 HydrophobicContact CG-CG 4.35Å; Y52-I60 HydrophobicContact CD1-CD1 3.47Å; Y52-I60 VanDerWaalsContact CD1-CD1 3.47Å; Y52-I60 HydrophobicContact CD1-CG1 3.57Å; Y52-I60 HydrophobicContact CE1-CD1 4.32Å; Y52-I60 HydrophobicContact CE1-CG1 4.09Å; Y52-I60 HydrophobicContact CG-CD1 4.16Å; Y52-I60 HydrophobicContact CG-CG1 4.24Å; Y52-I62 HydrophobicContact CD1-CD1 4.14Å; Y52-I62 HydrophobicContact CE1-CB 4.08Å; Y52-I62 HydrophobicContact CE1-CD1 3.93Å; Y52-I62 HydrophobicContact CE1-CG1 3.89Å; Y52-I62 PolarHBondContact OH-N 2.96Å
53	N	96.1	Very high	95.3	Very high	26 Å²	26	57.9 Å²	57.9	14%	0.139	34%	0.337	C	S	.	.			trans	-61.3	124.3	164.8	-175.9	-30.9	0	0	0	108.7	W40 M41 S55 L56 K57	W40-N53 HydrophobicContact CE3-CB 3.97Å; W40-N53 HydrophobicContact CZ3-CB 4.06Å; W40-N53 VanDerWaalsContact CZ3-N 3.31Å; W40-N53 WeakPolarHBondContact O-CB 3.42Å; W40-N53 PolarHBondContact O-ND2 2.89Å; M41-N53 WeakPolarHBondContact O-CB 3.49Å; M41-N53 PolarHBondContact O-N 2.7Å; N53-S55 PolarHBondContact O-N 3.06Å; N53-S55 VanDerWaalsContact O-N 3.11Å; N53-S55 PolarHBondContact OD1-N 2.94Å; N53-S55 VanDerWaalsContact OD1-N 3.08Å; N53-L56 HydrophobicContact CB-CB 4.4Å; N53-L56 HydrophobicContact CB-CD1 4.32Å; N53-L56 HydrophobicContact CB-CG 4.49Å; N53-L56 PolarHBondContact O-N 3.3Å; N53-K57 PolarHBondContact O-N 3.38Å
54	P	95.6	Very high	95.3	Very high	113 Å²	113	58.3 Å²	58.3	73%	0.734	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-36.6	-178.2	-29.1	35.8	0	0	0	113.7	Y52 L56	Y52-P54 WeakPolarHBondContact O-CD 3.48Å; P54-L56 PolarHBondContact O-N 3.29Å
55	S	93.4	Very high	95.3	Very high	92 Å²	92	59.8 Å²	59.8	64%	0.643	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-20.6	179.9	-54.6	0	0	0	0	113.7	N53	N53-S55 PolarHBondContact O-N 3.06Å; N53-S55 VanDerWaalsContact O-N 3.11Å; N53-S55 PolarHBondContact OD1-N 2.94Å; N53-S55 VanDerWaalsContact OD1-N 3.08Å
56	L	94.3	Very high	95.3	Very high	4 Å²	4	62.2 Å²	62.2	2%	0.021	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-13.3	-175.5	-63	174.7	0	0	0	113.2	M41 N53 P54 S58 R59 I60	M41-L56 HydrophobicContact CB-CD1 4.1Å; M41-L56 HydrophobicContact CE-CD1 4.2Å; M41-L56 HydrophobicContact CG-CD1 3.93Å; N53-L56 HydrophobicContact CB-CB 4.4Å; N53-L56 HydrophobicContact CB-CD1 4.32Å; N53-L56 HydrophobicContact CB-CG 4.49Å; N53-L56 PolarHBondContact O-N 3.3Å; P54-L56 PolarHBondContact O-N 3.29Å; L56-S58 PolarHBondContact O-N 3.45Å; L56-R59 PolarHBondContact O-N 2.76Å; L56-I60 HydrophobicContact CB-CD1 3.8Å; L56-I60 HydrophobicContact CB-CG1 4.26Å; L56-I60 HydrophobicContact CB-CG2 4.04Å; L56-I60 WeakPolarHBondContact O-CG1 2.9Å; L56-I60 PolarHBondContact O-N 3.43Å
57	K	93.3	Very high	95.4	Very high	139 Å²	139	62.8 Å²	62.8	60%	0.604	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-30.5	-170.4	-173.5	175.5	-179	-178.5	0	114.9	Y52 N53 R59	Y52-K57 HydrophobicContact CD2-CG 4.12Å; Y52-K57 HydrophobicContact CG-CG 4.35Å; N53-K57 PolarHBondContact O-N 3.38Å; K57-R59 VanDerWaalsContact C-N 3.35Å
58	S	94.9	Very high	95.5	Very high	115 Å²	115	64.9 Å²	64.9	80%	0.804	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-19.8	178.1	57.4	0	0	0	0	113.8	L56	L56-S58 PolarHBondContact O-N 3.45Å
59	R	95.2	Very high	95.6	Very high	54 Å²	54	65 Å²	65	20%	0.204	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-21.8	-173.8	-57.6	-164.3	-61.3	131.7	-1.2	113.4	L56 K57 L75 N76 S77 D82	L56-R59 PolarHBondContact O-N 2.76Å; K57-R59 VanDerWaalsContact C-N 3.35Å; R59-L75 HydrophobicContact CB-CD1 3.97Å; R59-N76 PolarHBondContact O-N 2.89Å; R59-S77 PolarHBondContact NH1-O 2.84Å; R59-D82 IonicContact CZ-OD1 2.89Å; R59-D82 IonicContact CZ-OD2 2.7Å; R59-D82 IonicContact NH1-OD1 3.63Å; R59-D82 PolarHBondContact NH1-OD1 2.85Å; R59-D82 IonicContact NH1-OD2 3.66Å; R59-D82 PolarHBondContact NH1-OD2 3.3Å; R59-D82 IonicContact NH2-OD1 3.48Å; R59-D82 PolarHBondContact NH2-OD1 2.85Å; R59-D82 IonicContact NH2-OD2 2.75Å
60	I	96.2	Very high	95.7	Very high	10 Å²	10	64 Å²	64	5%	0.051	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	145.6	-175.8	68.4	-179.4	0	0	0	113	M41 Y52 L56 L73 Q74 L75	M41-I60 HydrophobicContact CB-CD1 4.4Å; M41-I60 HydrophobicContact CE-CG2 3.97Å; M41-I60 WeakPolarHBondContact O-CD1 3.41Å; Y52-I60 HydrophobicContact CD1-CD1 3.47Å; Y52-I60 VanDerWaalsContact CD1-CD1 3.47Å; Y52-I60 HydrophobicContact CD1-CG1 3.57Å; Y52-I60 HydrophobicContact CE1-CD1 4.32Å; Y52-I60 HydrophobicContact CE1-CG1 4.09Å; Y52-I60 HydrophobicContact CG-CD1 4.16Å; Y52-I60 HydrophobicContact CG-CG1 4.24Å; L56-I60 HydrophobicContact CB-CD1 3.8Å; L56-I60 HydrophobicContact CB-CG1 4.26Å; L56-I60 HydrophobicContact CB-CG2 4.04Å; L56-I60 WeakPolarHBondContact O-CG1 2.9Å; L56-I60 PolarHBondContact O-N 3.43Å; I60-L73 HydrophobicContact CB-CD1 4.12Å; I60-L73 HydrophobicContact CG2-CD1 4.26Å; I60-Q74 CarbonylContact C-O 3.59Å; I60-Q74 VanDerWaalsContact CA-O 3.27Å; I60-Q74 WeakPolarHBondContact CA-O 3.45Å; I60-L75 HydrophobicContact CG2-CD1 3.47Å; I60-L75 VanDerWaalsContact CG2-CD1 3.47Å
61	S	96.9	Very high	95.8	Very high	49 Å²	49	61.3 Å²	61.3	34%	0.343	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	131	166.9	179.7	0	0	0	0	108.9	Q74	S61-Q74 PolarHBondContact N-O 2.86Å; S61-Q74 PolarHBondContact O-N 2.97Å
62	I	97.8	Very high	95.8	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.026	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.6	177.4	-61.3	167.9	0	0	0	108.2	G42 I44 Y52 Y72 L73	G42-I62 VanDerWaalsContact C-CD1 3.41Å; I44-I62 HydrophobicContact CB-CG2 3.76Å; I44-I62 HydrophobicContact CG2-CG2 3.72Å; Y52-I62 HydrophobicContact CD1-CD1 4.14Å; Y52-I62 HydrophobicContact CE1-CB 4.08Å; Y52-I62 HydrophobicContact CE1-CD1 3.93Å; Y52-I62 HydrophobicContact CE1-CG1 3.89Å; Y52-I62 PolarHBondContact OH-N 2.96Å; I62-Y72 VanDerWaalsContact CA-O 3.3Å; I62-Y72 WeakPolarHBondContact CA-O 3.19Å; I62-L73 HydrophobicContact CG1-CD1 3.89Å
63	T	97	Very high	95.9	Very high	69 Å²	69	57.3 Å²	57.3	42%	0.423	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	169.9	-178.4	63.9	0	0	0	0	110.9	Y71 Y72	T63-Y71 CarbonylContact O-C 3.54Å; T63-Y71 VanDerWaalsContact O-CA 3.27Å; T63-Y71 WeakPolarHBondContact O-CA 2.99Å; T63-Y71 WeakPolarHBondContact O-CB 3.41Å; T63-Y72 PolarHBondContact N-O 2.85Å; T63-Y72 VanDerWaalsContact N-O 3.07Å; T63-Y72 PolarHBondContact O-N 3.06Å
64	R	96.1	Very high	95.9	Very high	56 Å²	56	58.8 Å²	58.8	21%	0.211	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	142.6	-177.7	158.3	173.3	72.3	166.7	4	110.7	I21 I44 Y46 T66 Q70	I21-R64 HydrophobicContact CD1-CB 4.33Å; I21-R64 HydrophobicContact CD1-CG 3.68Å; I21-R64 HydrophobicContact CG1-CG 4.19Å; I21-R64 HydrophobicContact CG2-CG 4.22Å; I21-R64 PolarHBondContact O-NH1 2.82Å; I44-R64 HydrophobicContact CD1-CB 3.81Å; Y46-R64 VanDerWaalsContact C-NH1 3.27Å; Y46-R64 VanDerWaalsContact CA-NH1 3.29Å; Y46-R64 PolarHBondContact O-NH1 3.11Å; Y46-R64 PolarHBondContact O-NH2 3.11Å; R64-T66 HydrophobicContact CG-CG2 3.98Å; R64-Q70 WeakPolarHBondContact CA-O 3.49Å
65	D	95.8	Very high	95.9	Very high	40 Å²	40	53.4 Å²	53.4	21%	0.214	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	106.4	166	-174.5	-19.5	0	0	0	108.8	S67 K68 N69 Q70 Y72	D65-S67 VanDerWaalsContact C-N 3.28Å; D65-S67 PolarHBondContact O-N 3.34Å; D65-S67 WeakPolarHBondContact OD1-CA 3.47Å; D65-S67 WeakPolarHBondContact OD1-CB 3.46Å; D65-S67 PolarHBondContact OD1-N 2.93Å; D65-S67 PolarHBondContact OD1-OG 3.04Å; D65-K68 HydrophobicContact CB-CB 4.31Å; D65-K68 PolarHBondContact O-N 2.83Å; D65-K68 PolarHBondContact OD1-N 3.21Å; D65-K68 WeakPolarHBondContact OD2-CD 3.49Å; D65-K68 VanDerWaalsContact OD2-CE 3.27Å; D65-K68 WeakPolarHBondContact OD2-CE 3.36Å; D65-K68 WeakPolarHBondContact OD2-CG 3.49Å; D65-K68 IonicContact OD2-NZ 3.12Å; D65-K68 PolarHBondContact OD2-NZ 3.14Å; D65-N69 PolarHBondContact O-N 3.27Å; D65-N69 VanDerWaalsContact O-N 3.1Å; D65-Q70 PolarHBondContact N-O 3.05Å; D65-Q70 PolarHBondContact O-N 3.37Å; D65-Y72 HydrophobicContact CB-CE2 3.75Å
66	T	95.1	Very high	96	Very high	83 Å²	83	51.9 Å²	51.9	51%	0.509	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-24.9	-179.8	54.3	0	0	0	0	112.6	I21 T22 R64 K68	I21-T66 HydrophobicContact CG2-CG2 4.08Å; T22-T66 HydrophobicContact CG2-CG2 3.55Å; R64-T66 HydrophobicContact CG-CG2 3.98Å; T66-K68 VanDerWaalsContact C-N 3.33Å
67	S	95	Very high	95.9	Very high	103 Å²	103	55.1 Å²	55.1	72%	0.72	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-31.1	178.4	74.8	0	0	0	0	111.9	D65	D65-S67 VanDerWaalsContact C-N 3.28Å; D65-S67 PolarHBondContact O-N 3.34Å; D65-S67 WeakPolarHBondContact OD1-CA 3.47Å; D65-S67 WeakPolarHBondContact OD1-CB 3.46Å; D65-S67 PolarHBondContact OD1-N 2.93Å; D65-S67 PolarHBondContact OD1-OG 3.04Å
68	K	96.2	Very high	95.9	Very high	122 Å²	122	48.5 Å²	48.5	53%	0.53	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-3.8	178.6	-63.4	-179.6	-169.6	160	0	113.9	D65 T66 Q70	D65-K68 HydrophobicContact CB-CB 4.31Å; D65-K68 PolarHBondContact O-N 2.83Å; D65-K68 PolarHBondContact OD1-N 3.21Å; D65-K68 WeakPolarHBondContact OD2-CD 3.49Å; D65-K68 VanDerWaalsContact OD2-CE 3.27Å; D65-K68 WeakPolarHBondContact OD2-CE 3.36Å; D65-K68 WeakPolarHBondContact OD2-CG 3.49Å; D65-K68 IonicContact OD2-NZ 3.12Å; D65-K68 PolarHBondContact OD2-NZ 3.14Å; T66-K68 VanDerWaalsContact C-N 3.33Å; K68-Q70 HydrophobicContact CB-CB 4.18Å; K68-Q70 HydrophobicContact CB-CG 4.15Å; K68-Q70 WeakPolarHBondContact O-CG 3.09Å; K68-Q70 PolarHBondContact O-N 3.06Å
69	N	95.8	Very high	95.8	Very high	37 Å²	37	45.7 Å²	45.7	20%	0.198	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	40.6	-173.8	-151.5	38.2	0	0	0	112.9	V16 Y19 I21 D65	V16-N69 PolarHBondContact N-O 2.89Å; V16-N69 PolarHBondContact O-ND2 3.07Å; Y19-N69 PolarHBondContact O-ND2 2.92Å; Y19-N69 PolarHBondContact O-OD1 2.84Å; I21-N69 VanDerWaalsContact CB-OD1 3.3Å; I21-N69 WeakPolarHBondContact CB-OD1 3.49Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.39Å; I21-N69 PolarHBondContact N-OD1 3.18Å; D65-N69 PolarHBondContact O-N 3.27Å; D65-N69 VanDerWaalsContact O-N 3.1Å
70	Q	97	Very high	95.7	Very high	43 Å²	43	47 Å²	47	20%	0.201	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	150.8	-172.1	-79.6	173.5	-6.2	0	0	111.8	T13 C14 T15 I21 R64 D65 K68 Y72	T13-Q70 HydrophobicContact CG2-CB 4.34Å; T13-Q70 HydrophobicContact CG2-CG 4.1Å; C14-Q70 WeakPolarHBondContact O-CA 3.4Å; T15-Q70 HydrophobicContact CG2-CG 4.18Å; T15-Q70 PolarHBondContact OG1-NE2 3.27Å; I21-Q70 WeakPolarHBondContact CD1-O 3.47Å; R64-Q70 WeakPolarHBondContact CA-O 3.49Å; D65-Q70 PolarHBondContact N-O 3.05Å; D65-Q70 PolarHBondContact O-N 3.37Å; K68-Q70 HydrophobicContact CB-CB 4.18Å; K68-Q70 HydrophobicContact CB-CG 4.15Å; K68-Q70 WeakPolarHBondContact O-CG 3.09Å; K68-Q70 PolarHBondContact O-N 3.06Å; Q70-Y72 HydrophobicContact CB-CE1 4.27Å; Q70-Y72 HydrophobicContact CB-CE2 4.18Å; Q70-Y72 WeakPolarHBondContact CB-OH 3.35Å; Q70-Y72 PolarHBondContact OE1-OH 2.85Å
71	Y	96.7	Very high	95.5	Very high	3 Å²	3	53.8 Å²	53.8	1%	0.012	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	152.8	167.7	69.9	-73.5	0	0	0	111.2	C14 V16 I21 W27 N28 W29 I44 T63 C88 A89	C14-Y71 HydrophobicContact CB-CD1 3.96Å; C14-Y71 HydrophobicContact CB-CE1 3.51Å; C14-Y71 HydrophobicContact CB-CE2 4.41Å; C14-Y71 PolarHBondContact N-O 2.94Å; C14-Y71 PolarHBondContact O-N 3.02Å; V16-Y71 HydrophobicContact CG2-CD1 4.14Å; V16-Y71 HydrophobicContact CG2-CE1 4.14Å; I21-Y71 HydrophobicContact CD1-CD1 4.03Å; I21-Y71 HydrophobicContact CD1-CG 4.3Å; W27-Y71 HydrophobicContact CB-CD1 4.01Å; W27-Y71 HydrophobicContact CB-CD2 3.87Å; W27-Y71 HydrophobicContact CB-CE1 3.85Å; W27-Y71 HydrophobicContact CB-CE2 3.73Å; W27-Y71 HydrophobicContact CB-CG 3.98Å; W27-Y71 HydrophobicContact CE3-CE1 4.28Å; W27-Y71 HydrophobicContact CG-CD1 4.42Å; W27-Y71 HydrophobicContact CG-CE1 4.4Å; N28-Y71 PolarHBondContact O-OH 2.86Å; W29-Y71 AromaticContact CD1-CD2 3.91Å; W29-Y71 AromaticContact CD1-CE2 3.67Å; W29-Y71 HydrophobicContact CD2-CE2 4.32Å; W29-Y71 AromaticContact CE2-CD2 3.94Å; W29-Y71 AromaticContact CE2-CE2 3.67Å; W29-Y71 HydrophobicContact CG-CE2 4.33Å; W29-Y71 HydrophobicContact CZ2-CD2 4.36Å; W29-Y71 HydrophobicContact CZ2-CE2 4.2Å; W29-Y71 AromaticContact NE1-CD2 3.23Å; W29-Y71 AromaticContact NE1-CE2 3.23Å; I44-Y71 HydrophobicContact CG2-CD2 4.38Å; T63-Y71 CarbonylContact O-C 3.54Å; T63-Y71 VanDerWaalsContact O-CA 3.27Å; T63-Y71 WeakPolarHBondContact O-CA 2.99Å; T63-Y71 WeakPolarHBondContact O-CB 3.41Å; Y71-C88 HydrophobicContact CE1-CB 4.23Å; Y71-C88 HydrophobicContact CE2-CB 4.38Å; Y71-C88 WeakPolarHBondContact OH-CA 3.3Å; Y71-C88 WeakPolarHBondContact OH-CB 3.48Å; Y71-A89 PolarHBondContact OH-N 2.72Å; Y71-A89 PolarHBondContact OH-O 2.74Å
72	Y	97.3	Very high	95.4	Very high	39 Å²	39	51.5 Å²	51.5	15%	0.153	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	146	-166	-48.4	-86.2	0	0	0	110.4	L12 T13 I62 T63 D65 Q70	L12-Y72 CarbonylContact O-C 3.58Å; L12-Y72 WeakPolarHBondContact O-CA 2.87Å; T13-Y72 HydrophobicContact CG2-CD1 3.8Å; T13-Y72 HydrophobicContact CG2-CE1 3.44Å; T13-Y72 VanDerWaalsContact CG2-CE1 3.44Å; T13-Y72 VanDerWaalsContact OG1-CD1 3.24Å; T13-Y72 WeakPolarHBondContact OG1-CD1 3.15Å; T13-Y72 WeakPolarHBondContact OG1-CE1 3.44Å; I62-Y72 VanDerWaalsContact CA-O 3.3Å; I62-Y72 WeakPolarHBondContact CA-O 3.19Å; T63-Y72 PolarHBondContact N-O 2.85Å; T63-Y72 VanDerWaalsContact N-O 3.07Å; T63-Y72 PolarHBondContact O-N 3.06Å; D65-Y72 HydrophobicContact CB-CE2 3.75Å; Q70-Y72 HydrophobicContact CB-CE1 4.27Å; Q70-Y72 HydrophobicContact CB-CE2 4.18Å; Q70-Y72 WeakPolarHBondContact CB-OH 3.35Å; Q70-Y72 PolarHBondContact OE1-OH 2.85Å
73	L	97.8	Very high	95.3	Very high	1 Å²	1	53 Å²	53	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.5	166.8	171.1	68.4	0	0	0	108.1	S11 L12 W29 M41 I60 I62 Y86	S11-L73 CarbonylContact C-O 3.5Å; S11-L73 WeakPolarHBondContact CA-O 3.39Å; L12-L73 HydrophobicContact CB-CB 4.4Å; L12-L73 HydrophobicContact CD1-CD2 4.3Å; L12-L73 PolarHBondContact N-O 3.01Å; L12-L73 PolarHBondContact O-N 3.01Å; W29-L73 HydrophobicContact CB-CD2 4.19Å; W29-L73 HydrophobicContact CD2-CB 3.66Å; W29-L73 HydrophobicContact CD2-CD2 3.96Å; W29-L73 HydrophobicContact CD2-CG 4.41Å; W29-L73 VanDerWaalsContact CE2-CB 3.45Å; W29-L73 HydrophobicContact CE3-CB 4.31Å; W29-L73 HydrophobicContact CE3-CD2 4.07Å; W29-L73 HydrophobicContact CG-CB 3.86Å; W29-L73 HydrophobicContact CG-CD2 4.03Å; W29-L73 HydrophobicContact CG-CG 4.37Å; W29-L73 HydrophobicContact CZ2-CB 3.95Å; M41-L73 HydrophobicContact CE-CD1 4.29Å; M41-L73 HydrophobicContact CE-CD2 3.71Å; M41-L73 HydrophobicContact SD-CD2 3.72Å; I60-L73 HydrophobicContact CB-CD1 4.12Å; I60-L73 HydrophobicContact CG2-CD1 4.26Å; I62-L73 HydrophobicContact CG1-CD1 3.89Å; L73-Y86 HydrophobicContact CD2-CD1 4.06Å; L73-Y86 HydrophobicContact CD2-CE1 4.37Å
74	Q	96.8	Very high	95.3	Very high	57 Å²	57	49.9 Å²	49.9	27%	0.266	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	118.5	167	-169.4	66.2	57.2	0	0	108.5	S9 L10 S11 I60 S61	S9-Q74 VanDerWaalsContact CB-NE2 3.27Å; L10-Q74 VanDerWaalsContact C-NE2 3.32Å; L10-Q74 WeakPolarHBondContact O-CA 3.49Å; L10-Q74 PolarHBondContact O-NE2 3.44Å; S11-Q74 VanDerWaalsContact CB-OE1 3.32Å; S11-Q74 PolarHBondContact OG-OE1 2.96Å; I60-Q74 CarbonylContact C-O 3.59Å; I60-Q74 VanDerWaalsContact CA-O 3.27Å; I60-Q74 WeakPolarHBondContact CA-O 3.45Å; S61-Q74 PolarHBondContact N-O 2.86Å; S61-Q74 PolarHBondContact O-N 2.97Å
75	L	95.8	Very high	95.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118.7	171.7	176.5	66.2	0	0	0	108.6	S9 L10 R59 I60 V78 D82	S9-L75 CarbonylContact C-O 3.5Å; S9-L75 VanDerWaalsContact CA-O 3.31Å; S9-L75 WeakPolarHBondContact CA-O 3.28Å; L10-L75 HydrophobicContact CB-CB 4.42Å; L10-L75 PolarHBondContact N-O 3.04Å; L10-L75 PolarHBondContact O-N 3.01Å; R59-L75 HydrophobicContact CB-CD1 3.97Å; I60-L75 HydrophobicContact CG2-CD1 3.47Å; I60-L75 VanDerWaalsContact CG2-CD1 3.47Å; L75-V78 HydrophobicContact CB-CG1 4.49Å; L75-V78 HydrophobicContact CD2-CG1 3.9Å; L75-V78 HydrophobicContact CG-CG1 3.92Å; L75-D82 HydrophobicContact CD2-CB 4Å
76	N	94.6	Very high	95.4	Very high	60 Å²	60	47.2 Å²	47.2	32%	0.321	26%	0.261	S	S	.	.			trans	-96.7	152.1	-177.6	-63.6	-45.7	0	0	0	111.6	S9 R59	S9-N76 WeakPolarHBondContact CB-OD1 3.31Å; S9-N76 PolarHBondContact OG-OD1 2.85Å; R59-N76 PolarHBondContact O-N 2.89Å
77	S	92.3	Very high	95.5	Very high	72 Å²	72	44.7 Å²	44.7	50%	0.503	24%	0.243	S	C	.	.	S	Bend	trans	53.1	57.7	177.4	-54.8	0	0	0	0	111.5	Q8 R59	Q8-S77 PolarHBondContact O-N 3.02Å; R59-S77 PolarHBondContact NH1-O 2.84Å
78	V	93.8	Very high	95.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	21%	0.214	C	C	.	.			trans	-65.5	142.9	-178.7	-60.8	0	0	0	0	111.2	V4 K5 P6 S7 Q8 L10 L75 D82 V109	V4-V78 HydrophobicContact CG1-CG2 3.79Å; K5-V78 WeakPolarHBondContact O-CG2 3.32Å; P6-V78 WeakPolarHBondContact CA-O 3.36Å; S7-V78 PolarHBondContact N-O 3.3Å; Q8-V78 WeakPolarHBondContact O-CG2 3.25Å; Q8-V78 PolarHBondContact O-N 2.93Å; L10-V78 HydrophobicContact CB-CG1 3.83Å; L75-V78 HydrophobicContact CB-CG1 4.49Å; L75-V78 HydrophobicContact CD2-CG1 3.9Å; L75-V78 HydrophobicContact CG-CG1 3.92Å; V78-D82 VanDerWaalsContact CA-OD2 3.3Å; V78-D82 WeakPolarHBondContact CA-OD2 3.3Å; V78-D82 HydrophobicContact CB-CB 4.46Å; V78-V109 HydrophobicContact CB-CG2 4.21Å; V78-V109 HydrophobicContact CG2-CG1 4.04Å; V78-V109 HydrophobicContact CG2-CG2 4.1Å
79	T	93.6	Very high	95.5	Very high	55 Å²	55	34.9 Å²	34.9	34%	0.337	19%	0.19	S	C	.	.			trans	-118.7	170.9	174.6	69	0	0	0	0	110.1	E81 D82 V109	T79-E81 PolarHBondContact O-N 2.65Å; T79-E81 WeakPolarHBondContact OG1-CB 3.44Å; T79-E81 PolarHBondContact OG1-N 2.87Å; T79-D82 PolarHBondContact N-OD2 3.19Å; T79-D82 WeakPolarHBondContact O-CB 3.4Å; T79-D82 PolarHBondContact O-N 2.94Å; T79-V109 WeakPolarHBondContact O-CB 3.49Å; T79-V109 WeakPolarHBondContact O-CG1 3.12Å
80	T	92.6	Very high	95.3	Very high	83 Å²	83	34.1 Å²	34.1	51%	0.509	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-58.1	-28.3	174.8	52.6	0	0	0	0	112.5	D82 T83	T80-D82 PolarHBondContact O-N 3.07Å; T80-T83 VanDerWaalsContact O-CB 3.28Å; T80-T83 WeakPolarHBondContact O-CB 3.27Å; T80-T83 PolarHBondContact O-N 2.99Å; T80-T83 VanDerWaalsContact O-N 3.16Å; T80-T83 PolarHBondContact O-OG1 2.92Å
81	E	91.9	Very high	95	Very high	151 Å²	151	32.7 Å²	32.7	71%	0.706	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-65.9	-19.6	174.5	-57.2	179.6	171.4	0	0	113.1	F33 T79 T83	F33-E81 VanDerWaalsContact CE1-O 3.31Å; F33-E81 WeakPolarHBondContact CE1-O 3.19Å; T79-E81 PolarHBondContact O-N 2.65Å; T79-E81 WeakPolarHBondContact OG1-CB 3.44Å; T79-E81 PolarHBondContact OG1-N 2.87Å; E81-T83 PolarHBondContact O-N 3.35Å
82	D	94.2	Very high	94.3	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-83.1	4.9	176	-60.9	-50.4	0	0	0	112.5	R31 R59 L75 V78 T79 T80 A84 Y86	R31-D82 IonicContact CZ-OD1 2.71Å; R31-D82 IonicContact NH1-OD1 3.67Å; R31-D82 PolarHBondContact NH1-OD1 2.82Å; R31-D82 IonicContact NH2-OD1 2.74Å; R59-D82 IonicContact CZ-OD1 2.89Å; R59-D82 IonicContact CZ-OD2 2.7Å; R59-D82 IonicContact NH1-OD1 3.63Å; R59-D82 PolarHBondContact NH1-OD1 2.85Å; R59-D82 IonicContact NH1-OD2 3.66Å; R59-D82 PolarHBondContact NH1-OD2 3.3Å; R59-D82 IonicContact NH2-OD1 3.48Å; R59-D82 PolarHBondContact NH2-OD1 2.85Å; R59-D82 IonicContact NH2-OD2 2.75Å; L75-D82 HydrophobicContact CD2-CB 4Å; V78-D82 VanDerWaalsContact CA-OD2 3.3Å; V78-D82 WeakPolarHBondContact CA-OD2 3.3Å; V78-D82 HydrophobicContact CB-CB 4.46Å; T79-D82 PolarHBondContact N-OD2 3.19Å; T79-D82 WeakPolarHBondContact O-CB 3.4Å; T79-D82 PolarHBondContact O-N 2.94Å; T80-D82 PolarHBondContact O-N 3.07Å; D82-A84 PolarHBondContact O-N 3.06Å; D82-Y86 WeakPolarHBondContact O-CE2 3.32Å; D82-Y86 PolarHBondContact O-OH 3.37Å
83	T	95.4	Very high	93	Very high	36 Å²	36	36.4 Å²	36.4	22%	0.221	20%	0.203	C	C	.	.			trans	-66	112.2	171.5	-64.6	0	0	0	0	110.5	T80 E81 V107 T108 V109	T80-T83 VanDerWaalsContact O-CB 3.28Å; T80-T83 WeakPolarHBondContact O-CB 3.27Å; T80-T83 PolarHBondContact O-N 2.99Å; T80-T83 VanDerWaalsContact O-N 3.16Å; T80-T83 PolarHBondContact O-OG1 2.92Å; E81-T83 PolarHBondContact O-N 3.35Å; T83-V107 WeakPolarHBondContact CA-O 3.46Å; T83-T108 HydrophobicContact CG2-CG2 4.42Å; T83-V109 PolarHBondContact OG1-N 2.79Å; T83-V109 PolarHBondContact OG1-O 3.48Å
84	A	96.8	Very high	91.5	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.033	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	168.9	-175.2	0	0	0	0	0	111.4	R31 Q32 F33 D82 Y86 V107	R31-A84 HydrophobicContact CB-CB 3.93Å; R31-A84 HydrophobicContact CG-CB 4.49Å; Q32-A84 WeakPolarHBondContact O-CA 3.35Å; Q32-A84 VanDerWaalsContact O-CB 3.29Å; Q32-A84 WeakPolarHBondContact O-CB 3.44Å; F33-A84 HydrophobicContact CD1-CB 4.17Å; F33-A84 HydrophobicContact CE1-CB 4.41Å; D82-A84 PolarHBondContact O-N 3.06Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.85Å; A84-Y86 WeakPolarHBondContact O-CD2 3.43Å; A84-V107 PolarHBondContact N-O 3.46Å; A84-V107 PolarHBondContact O-N 3.27Å
85	T	97.6	Very high	90.1	Very high	40 Å²	40	47.9 Å²	47.9	25%	0.245	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	122.9	162.2	-55.6	0	0	0	0	109	R31 Q32 F87 T105	R31-T85 CarbonylContact C-O 3.48Å; R31-T85 WeakPolarHBondContact CA-O 3.46Å; Q32-T85 PolarHBondContact N-O 2.73Å; Q32-T85 PolarHBondContact O-N 3.41Å; T85-F87 HydrophobicContact CG2-CD2 4.27Å; T85-F87 HydrophobicContact CG2-CE1 4Å; T85-F87 HydrophobicContact CG2-CE2 3.51Å; T85-F87 HydrophobicContact CG2-CZ 3.36Å; T85-F87 WeakPolarHBondContact O-CD2 3.47Å; T85-T105 CarbonylContact C-O 3.53Å; T85-T105 WeakPolarHBondContact CA-O 3.27Å
86	Y	97.6	Very high	88.7	Confident	1 Å²	1	58.6 Å²	58.6	0%	0.004	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.6	-177	-69.5	-100.5	0	0	0	110.3	L10 L12 I30 R31 M41 L73 D82 A84 G104 T105 V107	L10-Y86 HydrophobicContact CD2-CE2 4.27Å; L12-Y86 HydrophobicContact CD1-CD1 3.66Å; L12-Y86 HydrophobicContact CD1-CD2 4.05Å; L12-Y86 HydrophobicContact CD1-CE1 4.46Å; L12-Y86 HydrophobicContact CD1-CG 3.42Å; L12-Y86 VanDerWaalsContact CD1-CG 3.42Å; I30-Y86 CarbonylContact O-C 3.6Å; R31-Y86 HydrophobicContact CB-CD1 3.87Å; R31-Y86 HydrophobicContact CB-CE1 3.87Å; R31-Y86 HydrophobicContact CB-CG 4.33Å; M41-Y86 HydrophobicContact CE-CD1 4.46Å; M41-Y86 HydrophobicContact CE-CE1 3.86Å; M41-Y86 HydrophobicContact SD-CD1 3.71Å; M41-Y86 HydrophobicContact SD-CE1 3.58Å; M41-Y86 VanDerWaalsContact SD-CE1 3.58Å; L73-Y86 HydrophobicContact CD2-CD1 4.06Å; L73-Y86 HydrophobicContact CD2-CE1 4.37Å; D82-Y86 WeakPolarHBondContact O-CE2 3.32Å; D82-Y86 PolarHBondContact O-OH 3.37Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.85Å; A84-Y86 WeakPolarHBondContact O-CD2 3.43Å; Y86-G104 CarbonylContact O-C 3.52Å; Y86-G104 VanDerWaalsContact O-CA 3.23Å; Y86-G104 WeakPolarHBondContact O-CA 3.42Å; Y86-T105 PolarHBondContact N-O 3.1Å; Y86-T105 PolarHBondContact O-N 3.16Å; Y86-V107 HydrophobicContact CD2-CB 4.03Å; Y86-V107 HydrophobicContact CD2-CG2 3.79Å; Y86-V107 HydrophobicContact CE2-CB 3.86Å; Y86-V107 HydrophobicContact CE2-CG2 4.06Å
87	F	97.2	Very high	87.8	Confident	30 Å²	30	58.3 Å²	58.3	13%	0.132	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.6	-178.3	-62.3	-85.5	0	0	0	110.6	I30 Q32 T85 W101 G102 G104	I30-F87 PolarHBondContact N-O 2.73Å; I30-F87 PolarHBondContact O-N 2.83Å; Q32-F87 HydrophobicContact CB-CD2 4.26Å; Q32-F87 HydrophobicContact CB-CE2 3.64Å; T85-F87 HydrophobicContact CG2-CD2 4.27Å; T85-F87 HydrophobicContact CG2-CE1 4Å; T85-F87 HydrophobicContact CG2-CE2 3.51Å; T85-F87 HydrophobicContact CG2-CZ 3.36Å; T85-F87 WeakPolarHBondContact O-CD2 3.47Å; F87-W101 HydrophobicContact CB-CE3 3.75Å; F87-W101 HydrophobicContact CB-CZ3 3.95Å; F87-W101 HydrophobicContact CD1-CE3 4.33Å; F87-W101 HydrophobicContact CD2-CZ3 4.42Å; F87-W101 HydrophobicContact CG-CE3 4.02Å; F87-W101 HydrophobicContact CG-CZ3 4.18Å; F87-G102 WeakPolarHBondContact CD1-O 3.45Å; F87-G104 VanDerWaalsContact CD1-CA 3.41Å
88	C	95.7	Very high	87.2	Confident	17 Å²	17	57.9 Å²	57.9	12%	0.115	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	142.5	156.6	35.6	0	0	0	0	110.7	C14 N28 Y71 W101 G102	C14-C88 HydrophobicContact CB-CB 3.41Å; C14-C88 VanDerWaalsContact CB-CB 3.41Å; C14-C88 WeakPolarHBondContact CB-SG 3.38Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2.05Å; C14-C88 PolarHBondContact SG-SG 2.75Å; N28-C88 WeakPolarHBondContact O-CA 3.49Å; Y71-C88 HydrophobicContact CE1-CB 4.23Å; Y71-C88 HydrophobicContact CE2-CB 4.38Å; Y71-C88 WeakPolarHBondContact OH-CA 3.3Å; Y71-C88 WeakPolarHBondContact OH-CB 3.48Å; C88-W101 CarbonylContact O-C 3.58Å; C88-W101 WeakPolarHBondContact O-CA 3.34Å; C88-G102 PolarHBondContact O-N 3.37Å
89	A	94.6	Very high	86.7	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.008	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	153.3	172.8	0	0	0	0	0	111.7	N28 I30 Y71 M98 Y100 W101	N28-A89 HydrophobicContact CB-CB 4.24Å; N28-A89 WeakPolarHBondContact CB-O 3.24Å; N28-A89 PolarHBondContact N-O 3Å; N28-A89 PolarHBondContact O-N 2.93Å; I30-A89 HydrophobicContact CD1-CB 3.72Å; Y71-A89 PolarHBondContact OH-N 2.72Å; Y71-A89 PolarHBondContact OH-O 2.74Å; A89-M98 HydrophobicContact CB-CB 4.48Å; A89-M98 HydrophobicContact CB-CG 4.38Å; A89-M98 HydrophobicContact CB-SD 4.09Å; A89-Y100 CarbonylContact C-O 3.6Å; A89-Y100 WeakPolarHBondContact CA-O 3.36Å; A89-Y100 WeakPolarHBondContact CB-O 3.08Å; A89-W101 HydrophobicContact CB-CD2 4.07Å; A89-W101 HydrophobicContact CB-CE3 4.43Å; A89-W101 HydrophobicContact CB-CG 4.33Å
90	R	92.6	Very high	86.4	Confident	22 Å²	22	64.5 Å²	64.5	8%	0.083	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	144.1	173.3	-173.6	-176.7	68.9	-169.2	2.9	109.5	Y25 T26 W27 M98 D99 Y100	Y25-R90 VanDerWaalsContact CD1-CD 3.48Å; Y25-R90 HydrophobicContact CD1-CG 3.57Å; Y25-R90 HydrophobicContact CE1-CG 4.27Å; Y25-R90 HydrophobicContact CG-CG 3.87Å; T26-R90 WeakPolarHBondContact O-CA 3.29Å; W27-R90 HydrophobicContact CE3-CB 4.19Å; W27-R90 HydrophobicContact CE3-CG 4.05Å; W27-R90 HydrophobicContact CH2-CG 4.02Å; W27-R90 HydrophobicContact CZ3-CB 3.91Å; W27-R90 HydrophobicContact CZ3-CG 3.57Å; R90-M98 CarbonylContact O-C 3.46Å; R90-M98 WeakPolarHBondContact O-CA 3.42Å; R90-D99 IonicContact CZ-OD1 3.06Å; R90-D99 IonicContact CZ-OD2 3.38Å; R90-D99 IonicContact NE-OD1 3.64Å; R90-D99 PolarHBondContact NE-OD1 2.82Å; R90-D99 IonicContact NE-OD2 3.78Å; R90-D99 PolarHBondContact NE-OD2 3.08Å; R90-D99 IonicContact NH2-OD1 3.48Å; R90-D99 IonicContact NH2-OD2 3.43Å; R90-D99 PolarHBondContact NH2-OD2 2.77Å; R90-D99 PolarHBondContact O-N 2.83Å; R90-Y100 PolarHBondContact N-O 3.44Å
91	C	89.6	Confident	86.5	Confident	12 Å²	12	65.1 Å²	65.1	8%	0.081	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	134.4	171.8	179.2	0	0	0	0	109.2	Y25 T26 N95 M98	Y25-C91 CarbonylContact C-O 3.59Å; Y25-C91 WeakPolarHBondContact CA-O 3.16Å; T26-C91 PolarHBondContact N-O 2.93Å; T26-C91 PolarHBondContact O-N 2.58Å; T26-C91 WeakPolarHBondContact OG1-CB 3.36Å; T26-C91 PolarHBondContact OG1-O 3.08Å; C91-N95 PolarHBondContact SG-O 3.5Å; C91-M98 HydrophobicContact CB-CG 4.13Å
92	H	82.6	Confident	86.5	Confident	73 Å²	73	58.4 Å²	58.4	34%	0.338	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	136	177.6	-160.1	-98.6	0	0	0	109.4	Y25 Y94 N95	Y25-H92 HydrophobicContact CD1-CB 4.14Å; Y25-H92 AromaticContact CD1-CD2 3.85Å; Y25-H92 HydrophobicContact CE1-CB 4.17Å; Y25-H92 AromaticContact CE1-CD2 3.32Å; Y25-H92 WeakPolarHBondContact CE1-CD2 3.3Å; Y25-H92 AromaticContact CZ-CD2 3.73Å; H92-Y94 AromaticContact CE1-CD2 3.53Å; H92-Y94 AromaticContact ND1-CD2 3.62Å; H92-Y94 PolarHBondContact O-N 2.83Å; H92-N95 HydrophobicContact CB-CB 4.42Å; H92-N95 CarbonylContact O-C 3.56Å; H92-N95 PolarHBondContact O-N 2.86Å
93	S	69.4	Low	86.5	Confident	48 Å²	48	67.2 Å²	67.2	34%	0.336	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-14.3	-174.1	-63.3	0	0	0	0	114.3	G24 H45	G24-S93 PolarHBondContact O-N 3.01Å; G24-S93 PolarHBondContact O-OG 3.4Å; H45-S93 PolarHBondContact CD2-OG 2.84Å; H45-S93 PolarHBondContact NE2-OG 3.04Å
94	Y	68	Low	86.4	Confident	200 Å²	200	66.8 Å²	66.8	78%	0.784	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-5.9	178.7	-57.1	-81.5	0	0	0	114.2	H92	H92-Y94 AromaticContact CE1-CD2 3.53Å; H92-Y94 AromaticContact ND1-CD2 3.62Å; H92-Y94 PolarHBondContact O-N 2.83Å
95	N	65.9	Low	86.3	Confident	99 Å²	99	69.3 Å²	69.3	53%	0.529	34%	0.34	S	S	.	.			trans	-141.6	120.3	-177.9	-171.2	-21.6	0	0	0	109.1	C91 H92 A97	C91-N95 PolarHBondContact SG-O 3.5Å; H92-N95 HydrophobicContact CB-CB 4.42Å; H92-N95 CarbonylContact O-C 3.56Å; H92-N95 PolarHBondContact O-N 2.86Å; N95-A97 PolarHBondContact O-N 2.73Å; N95-A97 VanDerWaalsContact O-N 3.08Å; N95-A97 WeakPolarHBondContact OD1-CB 3.27Å; N95-A97 PolarHBondContact OD1-N 2.82Å; N95-A97 VanDerWaalsContact OD1-N 3.12Å
96	Y	67.8	Low	86.2	Confident	225 Å²	225	69.8 Å²	69.8	88%	0.882	35%	0.345	S	S	*	.			trans	-70.2	0.4	-177.2	-60.3	-76.8	0	0	0	114.4
97	A	74.9	Confident	86	Confident	54 Å²	54	69.8 Å²	69.8	45%	0.446	35%	0.345	S	S	.	.			trans	-73	125.9	173.5	0	0	0	0	0	111.2	N95 D99	N95-A97 PolarHBondContact O-N 2.73Å; N95-A97 VanDerWaalsContact O-N 3.08Å; N95-A97 WeakPolarHBondContact OD1-CB 3.27Å; N95-A97 PolarHBondContact OD1-N 2.82Å; N95-A97 VanDerWaalsContact OD1-N 3.12Å; A97-D99 PolarHBondContact O-N 3.34Å
98	M	80.6	Confident	85.9	Confident	63 Å²	63	71 Å²	71	31%	0.31	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	101.1	169.9	-69.3	169.9	177.9	0	0	109.3	N28 I30 A89 R90 C91 W101	N28-M98 HydrophobicContact CB-CE 4.18Å; I30-M98 HydrophobicContact CD1-CE 3.68Å; I30-M98 HydrophobicContact CD1-SD 3.35Å; I30-M98 WeakPolarHBondContact CD1-SD 3.38Å; I30-M98 HydrophobicContact CG1-CE 4.46Å; A89-M98 HydrophobicContact CB-CB 4.48Å; A89-M98 HydrophobicContact CB-CG 4.38Å; A89-M98 HydrophobicContact CB-SD 4.09Å; R90-M98 CarbonylContact O-C 3.46Å; R90-M98 WeakPolarHBondContact O-CA 3.42Å; C91-M98 HydrophobicContact CB-CG 4.13Å; M98-W101 HydrophobicContact CB-CZ2 4.43Å; M98-W101 HydrophobicContact SD-CH2 4.42Å; M98-W101 HydrophobicContact SD-CZ2 3.7Å
99	D	82.4	Confident	85.6	Confident	89 Å²	89	70.4 Å²	70.4	48%	0.476	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-17.1	-172	64.8	-24.7	0	0	0	113.4	R90 A97	R90-D99 IonicContact CZ-OD1 3.06Å; R90-D99 IonicContact CZ-OD2 3.38Å; R90-D99 IonicContact NE-OD1 3.64Å; R90-D99 PolarHBondContact NE-OD1 2.82Å; R90-D99 IonicContact NE-OD2 3.78Å; R90-D99 PolarHBondContact NE-OD2 3.08Å; R90-D99 IonicContact NH2-OD1 3.48Å; R90-D99 IonicContact NH2-OD2 3.43Å; R90-D99 PolarHBondContact NH2-OD2 2.77Å; R90-D99 PolarHBondContact O-N 2.83Å; A97-D99 PolarHBondContact O-N 3.34Å
100	Y	88.3	Confident	85.2	Confident	106 Å²	106	72.8 Å²	72.8	42%	0.416	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	139.8	176.8	177	-92.8	0	0	0	111.9	A89 R90	A89-Y100 CarbonylContact C-O 3.6Å; A89-Y100 WeakPolarHBondContact CA-O 3.36Å; A89-Y100 WeakPolarHBondContact CB-O 3.08Å; R90-Y100 PolarHBondContact N-O 3.44Å
101	W	93.1	Very high	84.3	Confident	95 Å²	95	79.4 Å²	79.4	36%	0.36	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.8	174.3	-71.1	69.8	0	0	0	109.6	I30 L38 F87 C88 A89 M98	I30-W101 HydrophobicContact CB-CH2 4.28Å; I30-W101 HydrophobicContact CB-CZ3 4.1Å; I30-W101 HydrophobicContact CD1-CE3 4.34Å; I30-W101 HydrophobicContact CD1-CH2 3.23Å; I30-W101 HydrophobicContact CD1-CZ2 3.68Å; I30-W101 HydrophobicContact CD1-CZ3 3.6Å; I30-W101 HydrophobicContact CG1-CH2 4.3Å; I30-W101 HydrophobicContact CG1-CZ3 4.46Å; I30-W101 HydrophobicContact CG2-CH2 3.96Å; I30-W101 HydrophobicContact CG2-CZ3 4Å; L38-W101 HydrophobicContact CD1-CH2 4.36Å; F87-W101 HydrophobicContact CB-CE3 3.75Å; F87-W101 HydrophobicContact CB-CZ3 3.95Å; F87-W101 HydrophobicContact CD1-CE3 4.33Å; F87-W101 HydrophobicContact CD2-CZ3 4.42Å; F87-W101 HydrophobicContact CG-CE3 4.02Å; F87-W101 HydrophobicContact CG-CZ3 4.18Å; C88-W101 CarbonylContact O-C 3.58Å; C88-W101 WeakPolarHBondContact O-CA 3.34Å; A89-W101 HydrophobicContact CB-CD2 4.07Å; A89-W101 HydrophobicContact CB-CE3 4.43Å; A89-W101 HydrophobicContact CB-CG 4.33Å; M98-W101 HydrophobicContact CB-CZ2 4.43Å; M98-W101 HydrophobicContact SD-CH2 4.42Å; M98-W101 HydrophobicContact SD-CZ2 3.7Å
102	G	92.6	Very high	84	Confident	10 Å²	10	82.8 Å²	82.8	10%	0.103	43%	0.434	C	S	.	.			trans	-69.9	167.5	168.8	0	0	0	0	0	111.8	F87 C88 G104	F87-G102 WeakPolarHBondContact CD1-O 3.45Å; C88-G102 PolarHBondContact O-N 3.37Å; G102-G104 PolarHBondContact O-N 2.82Å; G102-G104 VanDerWaalsContact O-N 3.16Å
103	Q	93.1	Very high	84.1	Confident	187 Å²	187	83.3 Å²	83.3	87%	0.874	44%	0.439	S	S	*	.			trans	-64.2	-19.8	-179.6	-64.9	-61.5	-48.1	0	0	113.7
104	G	93.9	Very high	84.9	Confident	26 Å²	26	85.2 Å²	85.2	27%	0.268	45%	0.445	S	S	.	.			trans	85.3	148	-179	0	0	0	0	0	113.1	Y86 F87 G102	Y86-G104 CarbonylContact O-C 3.52Å; Y86-G104 VanDerWaalsContact O-CA 3.23Å; Y86-G104 WeakPolarHBondContact O-CA 3.42Å; F87-G104 VanDerWaalsContact CD1-CA 3.41Å; G102-G104 PolarHBondContact O-N 2.82Å; G102-G104 VanDerWaalsContact O-N 3.16Å
105	T	95.4	Very high	85.9	Confident	58 Å²	58	78.5 Å²	78.5	36%	0.356	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117.5	176.4	-59.8	0	0	0	0	108.8	L12 T85 Y86 V107	L12-T105 HydrophobicContact CD2-CG2 4.13Å; T85-T105 CarbonylContact C-O 3.53Å; T85-T105 WeakPolarHBondContact CA-O 3.27Å; Y86-T105 PolarHBondContact N-O 3.1Å; Y86-T105 PolarHBondContact O-N 3.16Å; T105-V107 HydrophobicContact CG2-CG2 4.34Å
106	S	95.3	Very high	87.2	Confident	49 Å²	49	77.2 Å²	77.2	34%	0.343	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	126.5	173.4	175.3	0	0	0	0	110.3	P1 D2	P1-S106 CarbonylContact C-O 3.53Å; P1-S106 WeakPolarHBondContact CA-O 3.38Å; D2-S106 PolarHBondContact N-O 3.41Å
107	V	94.3	Very high	88.5	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.006	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.7	174.7	-178.9	0	0	0	0	109	D2 V4 L10 L12 T83 A84 Y86 T105 V109	D2-V107 HydrophobicContact CB-CG2 4.45Å; D2-V107 WeakPolarHBondContact O-CA 3.2Å; V4-V107 HydrophobicContact CG2-CG1 4.16Å; L10-V107 HydrophobicContact CD1-CG1 4.11Å; L10-V107 HydrophobicContact CD1-CG2 4.11Å; L10-V107 HydrophobicContact CD2-CB 4.45Å; L10-V107 HydrophobicContact CD2-CG1 4.02Å; L10-V107 HydrophobicContact CD2-CG2 4.1Å; L12-V107 HydrophobicContact CD2-CG2 4.25Å; T83-V107 WeakPolarHBondContact CA-O 3.46Å; A84-V107 PolarHBondContact N-O 3.46Å; A84-V107 PolarHBondContact O-N 3.27Å; Y86-V107 HydrophobicContact CD2-CB 4.03Å; Y86-V107 HydrophobicContact CD2-CG2 3.79Å; Y86-V107 HydrophobicContact CE2-CB 3.86Å; Y86-V107 HydrophobicContact CE2-CG2 4.06Å; T105-V107 HydrophobicContact CG2-CG2 4.34Å; V107-V109 HydrophobicContact CG1-CG2 4.44Å
108	T	93.6	Very high	89.5	Confident	55 Å²	55	68.3 Å²	68.3	34%	0.337	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.9	175.7	-57	0	0	0	0	109.3	D2 L3 V4 T83	D2-T108 PolarHBondContact O-N 2.58Å; L3-T108 WeakPolarHBondContact CA-O 3.49Å; L3-T108 HydrophobicContact CD1-CG2 4.41Å; V4-T108 PolarHBondContact N-O 2.91Å; T83-T108 HydrophobicContact CG2-CG2 4.42Å
109	V	89.7	Confident	90.1	Very high	5 Å²	5	68.7 Å²	68.7	3%	0.03	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	114.2	174.5	-174.7	0	0	0	0	108	V4 P6 V78 T79 T83 V107	V4-V109 HydrophobicContact CB-CG2 4.49Å; V4-V109 WeakPolarHBondContact O-CA 3.36Å; P6-V109 HydrophobicContact CG-CG1 4.26Å; V78-V109 HydrophobicContact CB-CG2 4.21Å; V78-V109 HydrophobicContact CG2-CG1 4.04Å; V78-V109 HydrophobicContact CG2-CG2 4.1Å; T79-V109 WeakPolarHBondContact O-CB 3.49Å; T79-V109 WeakPolarHBondContact O-CG1 3.12Å; T83-V109 PolarHBondContact OG1-N 2.79Å; T83-V109 PolarHBondContact OG1-O 3.48Å; V107-V109 HydrophobicContact CG1-CG2 4.44Å
110	S	86.4	Confident	90.8	Very high	52 Å²	52	67 Å²	67	36%	0.364	38%	0.381	S	S	.	.			trans	-137.6	147.5	179	64.5	0	0	0	0	111.1	L3 V4 P6	L3-S110 WeakPolarHBondContact CD1-OG 3.29Å; V4-S110 PolarHBondContact O-N 3.48Å; P6-S110 WeakPolarHBondContact CD-O 3.41Å
111	S	73.8	Confident	91	Very high	160 Å²	160	63.5 Å²	63.5	100%	1.119	38%	0.378	S	S	*	.			trans	-73.8	0	173.5	56.5	0	0	0	0	112.4

Retrieved 111 of 111 residues in 84.9 ms (Link to these results)

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