X5J4M9_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4M9, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 111 aa.

						>X5J4M9_MOUSE|X5J4M9
PGLVKPSQSLFLTCSITGFPITSGYYWIWIRQSPGKPLEWMGYITHSGETFYNPSLQSPISITRETSKNQFFLQLNSVTTEDTAMYYCAGDRSGYWYFDVWGTGTTVTVSS
					

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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	53	Low	76.6	Confident	142 Å²	142	83.5 Å²	83.5	92%	0.922	48%	0.479	S	S	*	.				0	126.1	0	12.4	9.8	0	0	0	110.7	T105	P1-T105 HydrophobicContact CB-CG2 3.22Å; P1-T105 HydrophobicContact CG-CG2 3.7Å
2	G	67.4	Low	77.8	Confident	43 Å²	43	77.7 Å²	77.7	44%	0.443	45%	0.445	S	S	.	.			trans	-165.1	-178	-161.4	0	0	0	0	0	113.1	V4	G2-V4 WeakPolarHBondContact O-CG2 3.42Å; G2-V4 PolarHBondContact O-N 3.21Å
3	L	69.4	Low	79	Confident	127 Å²	127	77.5 Å²	77.5	67%	0.665	45%	0.446	S	S	*	.			trans	-58.1	121.6	-178.8	-156.7	77.1	0	0	0	110.7	T108 S110	L3-T108 WeakPolarHBondContact CA-O 3.38Å; L3-T108 HydrophobicContact CD1-CG2 4.02Å; L3-S110 WeakPolarHBondContact CD1-OG 3.27Å
4	V	76.4	Confident	79.8	Confident	20 Å²	20	72.3 Å²	72.3	12%	0.121	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-113.6	141	176.2	-175.3	0	0	0	0	108.8	G2 Q8 L10 V78 T108 V109 S110	G2-V4 WeakPolarHBondContact O-CG2 3.42Å; G2-V4 PolarHBondContact O-N 3.21Å; V4-Q8 HydrophobicContact CG1-CB 3.82Å; V4-L10 HydrophobicContact CG2-CD1 4.24Å; V4-V78 HydrophobicContact CG1-CG2 3.86Å; V4-T108 PolarHBondContact N-O 2.88Å; V4-V109 HydrophobicContact CB-CG2 4.48Å; V4-V109 VanDerWaalsContact O-CA 3.32Å; V4-V109 WeakPolarHBondContact O-CA 3.36Å; V4-S110 PolarHBondContact O-N 3.42Å
5	K	77.6	Confident	80.5	Confident	136 Å²	136	71.5 Å²	71.5	59%	0.591	42%	0.417	S	S	*	.			trans	-80.5	148.9	174.6	-69.6	-175.1	178	-175.6	0	110.3	Q8	K5-Q8 HydrophobicContact CB-CG 4.33Å; K5-Q8 WeakPolarHBondContact O-CB 3.43Å; K5-Q8 PolarHBondContact O-N 3Å
6	P	76.3	Confident	80.9	Confident	48 Å²	48	67.6 Å²	67.6	31%	0.312	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	150.2	172.3	-25.3	33.1	0	0	0	112.3	Q8 V78 V109 S110	P6-Q8 PolarHBondContact O-N 3.34Å; P6-V78 CarbonylContact C-O 3.6Å; P6-V78 WeakPolarHBondContact CA-O 3.32Å; P6-V109 HydrophobicContact CG-CG1 4.19Å; P6-S110 WeakPolarHBondContact CD-O 3.28Å
7	S	77.6	Confident	81.1	Confident	99 Å²	99	69.5 Å²	69.5	69%	0.692	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	5.1	-179.4	-49.1	0	0	0	0	115.8	V78	S7-V78 PolarHBondContact N-O 3.04Å
8	Q	82.9	Confident	81.2	Confident	103 Å²	103	70.4 Å²	70.4	48%	0.481	43%	0.434	S	S	.	.			trans	-84.8	162.3	168.9	-66.5	-174	-32.4	0	0	111.4	V4 K5 P6 S77 V78	V4-Q8 HydrophobicContact CG1-CB 3.82Å; K5-Q8 HydrophobicContact CB-CG 4.33Å; K5-Q8 WeakPolarHBondContact O-CB 3.43Å; K5-Q8 PolarHBondContact O-N 3Å; P6-Q8 PolarHBondContact O-N 3.34Å; Q8-S77 PolarHBondContact O-N 2.87Å; Q8-V78 WeakPolarHBondContact O-CG2 3.43Å; Q8-V78 PolarHBondContact O-N 2.82Å
9	S	85.4	Confident	81.4	Confident	58 Å²	58	68.9 Å²	68.9	41%	0.406	42%	0.421	S	S	.	.			trans	-88.9	134	168.7	-65.3	0	0	0	0	109.9	L75 N76	S9-L75 CarbonylContact C-O 3.51Å; S9-L75 VanDerWaalsContact CA-O 3.28Å; S9-L75 WeakPolarHBondContact CA-O 3.16Å; S9-N76 PolarHBondContact OG-OD1 3.11Å; S9-N76 VanDerWaalsContact OG-OD1 3.13Å
10	L	87.1	Confident	81.7	Confident	15 Å²	15	69.2 Å²	69.2	8%	0.079	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.3	174.4	170.5	63.3	0	0	0	109.1	V4 L12 Q74 L75 V78 V107	V4-L10 HydrophobicContact CG2-CD1 4.24Å; L10-L12 HydrophobicContact CD1-CD2 4.13Å; L10-L12 HydrophobicContact CD1-CG 4.27Å; L10-L12 HydrophobicContact CD2-CD1 4.29Å; L10-L12 HydrophobicContact CD2-CG 4.41Å; L10-L12 HydrophobicContact CG-CD1 4.49Å; L10-L12 HydrophobicContact CG-CD2 4.48Å; L10-L12 HydrophobicContact CG-CG 4.12Å; L10-Q74 CarbonylContact O-C 3.43Å; L10-Q74 WeakPolarHBondContact O-CA 3.35Å; L10-L75 HydrophobicContact CB-CB 4.37Å; L10-L75 HydrophobicContact CB-CD1 4.49Å; L10-L75 HydrophobicContact CD2-CD1 4.05Å; L10-L75 HydrophobicContact CG-CD1 4.29Å; L10-L75 PolarHBondContact N-O 2.87Å; L10-L75 PolarHBondContact O-N 3.42Å; L10-V78 HydrophobicContact CB-CG1 3.72Å; L10-V107 HydrophobicContact CD1-CG1 4.3Å; L10-V107 HydrophobicContact CD1-CG2 4.45Å; L10-V107 HydrophobicContact CD2-CB 4.28Å; L10-V107 HydrophobicContact CD2-CG1 3.5Å; L10-V107 VanDerWaalsContact CD2-CG1 3.5Å; L10-V107 HydrophobicContact CD2-CG2 4.05Å
11	F	89.9	Confident	82.1	Confident	128 Å²	128	66 Å²	66	56%	0.561	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.2	175.7	-68.9	-91.1	0	0	0	109.6	L73 Q74	F11-L73 WeakPolarHBondContact CA-O 3.41Å; F11-Q74 HydrophobicContact CD1-CB 3.88Å; F11-Q74 HydrophobicContact CD1-CG 3.91Å; F11-Q74 HydrophobicContact CE1-CB 3.76Å; F11-Q74 HydrophobicContact CE1-CG 3.4Å; F11-Q74 VanDerWaalsContact CE1-CG 3.4Å; F11-Q74 HydrophobicContact CE2-CG 4.41Å; F11-Q74 HydrophobicContact CZ-CG 3.7Å; F11-Q74 VanDerWaalsContact CZ-NE2 3.34Å
12	L	91.2	Very high	83.8	Confident	13 Å²	13	62.7 Å²	62.7	7%	0.068	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.1	177.4	-64.5	170.3	0	0	0	109.3	L10 W29 F72 L73 L75 Y86 T105 V107	L10-L12 HydrophobicContact CD1-CD2 4.13Å; L10-L12 HydrophobicContact CD1-CG 4.27Å; L10-L12 HydrophobicContact CD2-CD1 4.29Å; L10-L12 HydrophobicContact CD2-CG 4.41Å; L10-L12 HydrophobicContact CG-CD1 4.49Å; L10-L12 HydrophobicContact CG-CD2 4.48Å; L10-L12 HydrophobicContact CG-CG 4.12Å; L12-W29 HydrophobicContact CB-CH2 3.71Å; L12-W29 HydrophobicContact CB-CZ2 4.28Å; L12-W29 HydrophobicContact CB-CZ3 4.14Å; L12-W29 HydrophobicContact CD1-CZ3 4.41Å; L12-F72 CarbonylContact O-C 3.59Å; L12-F72 WeakPolarHBondContact O-CA 3.45Å; L12-L73 HydrophobicContact CB-CB 4.31Å; L12-L73 HydrophobicContact CD1-CD2 4.17Å; L12-L73 PolarHBondContact N-O 2.89Å; L12-L73 PolarHBondContact O-N 2.9Å; L12-L75 HydrophobicContact CD1-CD1 4.4Å; L12-Y86 HydrophobicContact CD1-CD1 3.53Å; L12-Y86 HydrophobicContact CD1-CD2 3.96Å; L12-Y86 HydrophobicContact CD1-CE1 4.15Å; L12-Y86 HydrophobicContact CD1-CG 3.41Å; L12-Y86 VanDerWaalsContact CD1-CG 3.41Å; L12-T105 HydrophobicContact CD2-CG2 4.14Å; L12-V107 HydrophobicContact CD2-CG2 3.98Å
13	T	92.3	Very high	84.7	Confident	75 Å²	75	62.2 Å²	62.2	46%	0.46	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.1	-177.8	-54.8	0	0	0	0	109.7	Q70 F72	T13-Q70 HydrophobicContact CG2-CB 4.28Å; T13-Q70 HydrophobicContact CG2-CG 4.1Å; T13-F72 HydrophobicContact CG2-CD1 3.76Å; T13-F72 HydrophobicContact CG2-CE1 3.42Å; T13-F72 VanDerWaalsContact CG2-CE1 3.42Å; T13-F72 HydrophobicContact CG2-CZ 4.31Å; T13-F72 VanDerWaalsContact OG1-CD1 3.28Å; T13-F72 WeakPolarHBondContact OG1-CD1 3.33Å; T13-F72 WeakPolarHBondContact OG1-CE1 3.42Å
14	C	90.8	Very high	85.5	Confident	5 Å²	5	57.6 Å²	57.6	3%	0.034	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.5	167.2	-173.7	0	0	0	0	109.5	W29 Q70 F71 C88	C14-W29 HydrophobicContact CB-CH2 4.07Å; C14-W29 HydrophobicContact CB-CZ2 3.94Å; C14-Q70 VanDerWaalsContact O-CA 3.3Å; C14-Q70 WeakPolarHBondContact O-CA 3.24Å; C14-F71 HydrophobicContact CB-CD1 3.9Å; C14-F71 HydrophobicContact CB-CE1 3.52Å; C14-F71 HydrophobicContact CB-CE2 4.17Å; C14-F71 HydrophobicContact CB-CG 4.4Å; C14-F71 HydrophobicContact CB-CZ 3.7Å; C14-F71 PolarHBondContact N-O 2.79Å; C14-F71 PolarHBondContact O-N 2.97Å; C14-F71 WeakPolarHBondContact SG-CE1 3.34Å; C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.28Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2.04Å; C14-C88 PolarHBondContact SG-SG 3.13Å
15	S	90.3	Very high	86	Confident	61 Å²	61	57.5 Å²	57.5	43%	0.427	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	127.5	177.6	-57.1	0	0	0	0	109.6	Q70	S15-Q70 WeakPolarHBondContact OG-CG 3.49Å; S15-Q70 PolarHBondContact OG-NE2 3.24Å
16	I	86.6	Confident	86.5	Confident	8 Å²	8	54.3 Å²	54.3	4%	0.041	34%	0.336	C	S	.	.			trans	-91.2	136	178.5	-62.2	151.2	0	0	0	108.2	F19 I21 W27 N69 F71	I16-F19 HydrophobicContact CG2-CD2 4.22Å; I16-F19 HydrophobicContact CG2-CE2 4.21Å; I16-F19 WeakPolarHBondContact CG2-O 3.46Å; I16-I21 HydrophobicContact CD1-CB 3.65Å; I16-I21 HydrophobicContact CD1-CD1 3.65Å; I16-I21 HydrophobicContact CD1-CG1 3.42Å; I16-I21 VanDerWaalsContact CD1-CG1 3.42Å; I16-W27 HydrophobicContact CB-CH2 4.37Å; I16-W27 HydrophobicContact CD1-CD2 3.77Å; I16-W27 HydrophobicContact CD1-CE3 3.65Å; I16-W27 HydrophobicContact CD1-CH2 3.36Å; I16-W27 HydrophobicContact CD1-CZ2 3.62Å; I16-W27 HydrophobicContact CD1-CZ3 3.44Å; I16-W27 VanDerWaalsContact CD1-CZ3 3.44Å; I16-W27 HydrophobicContact CG1-CE3 4.06Å; I16-W27 HydrophobicContact CG1-CH2 3.78Å; I16-W27 HydrophobicContact CG1-CZ3 3.58Å; I16-W27 HydrophobicContact CG2-CH2 3.72Å; I16-W27 HydrophobicContact CG2-CZ3 4.12Å; I16-N69 PolarHBondContact N-O 3.15Å; I16-N69 PolarHBondContact O-ND2 3.04Å; I16-F71 HydrophobicContact CD1-CD1 3.85Å; I16-F71 HydrophobicContact CD1-CE1 4.09Å; I16-F71 HydrophobicContact CG1-CD1 4.23Å; I16-F71 HydrophobicContact CG1-CE1 4.1Å
17	T	84.1	Confident	87.2	Confident	101 Å²	101	52 Å²	52	62%	0.62	32%	0.322	S	S	*	.			trans	-118.9	154	176.2	57.4	0	0	0	0	109.5	F19 W101	T17-F19 VanDerWaalsContact C-N 3.31Å; T17-F19 PolarHBondContact O-N 3.2Å; T17-W101 VanDerWaalsContact O-CZ3 3.23Å; T17-W101 WeakPolarHBondContact O-CZ3 3.44Å
18	G	82.6	Confident	87.9	Confident	86 Å²	86	47.8 Å²	47.8	89%	0.887	29%	0.291	S	S	*	.	S	Bend	trans	85.4	-24.8	175.5	0	0	0	0	0	116.4
19	F	85.1	Confident	88.4	Confident	42 Å²	42	43.2 Å²	43.2	18%	0.184	27%	0.27	C	S	.	.	S	Bend	trans	-157.6	163.6	173.3	50.4	-96.9	0	0	0	114	I16 T17 Y25 W27 N69 W101	I16-F19 HydrophobicContact CG2-CD2 4.22Å; I16-F19 HydrophobicContact CG2-CE2 4.21Å; I16-F19 WeakPolarHBondContact CG2-O 3.46Å; T17-F19 VanDerWaalsContact C-N 3.31Å; T17-F19 PolarHBondContact O-N 3.2Å; F19-Y25 HydrophobicContact CD2-CD2 4.19Å; F19-Y25 AromaticContact CD2-CE2 3.86Å; F19-Y25 HydrophobicContact CD2-CE2 3.86Å; F19-Y25 HydrophobicContact CE1-CE2 4.28Å; F19-Y25 AromaticContact CE1-CZ 3.95Å; F19-Y25 HydrophobicContact CE2-CD1 4.28Å; F19-Y25 AromaticContact CE2-CD2 3.47Å; F19-Y25 HydrophobicContact CE2-CD2 3.47Å; F19-Y25 VanDerWaalsContact CE2-CD2 3.47Å; F19-Y25 HydrophobicContact CE2-CE1 4.04Å; F19-Y25 AromaticContact CE2-CE2 3.2Å; F19-Y25 HydrophobicContact CE2-CE2 3.2Å; F19-Y25 HydrophobicContact CE2-CG 4.02Å; F19-Y25 AromaticContact CE2-CZ 3.52Å; F19-Y25 HydrophobicContact CZ-CD1 4.27Å; F19-Y25 HydrophobicContact CZ-CD2 4.1Å; F19-Y25 AromaticContact CZ-CE1 3.68Å; F19-Y25 HydrophobicContact CZ-CE1 3.68Å; F19-Y25 AromaticContact CZ-CE2 3.51Å; F19-Y25 HydrophobicContact CZ-CE2 3.51Å; F19-Y25 HydrophobicContact CZ-CG 4.47Å; F19-Y25 AromaticContact CZ-CZ 3.26Å; F19-Y25 WeakPolarHBondContact CZ-OH 3.37Å; F19-W27 HydrophobicContact CD2-CH2 4.1Å; F19-W27 AromaticContact CE2-CH2 3.36Å; F19-W27 HydrophobicContact CE2-CH2 3.36Å; F19-W27 HydrophobicContact CE2-CZ2 4.12Å; F19-W27 HydrophobicContact CE2-CZ3 4.24Å; F19-W27 HydrophobicContact CZ-CH2 4.2Å; F19-N69 PolarHBondContact O-ND2 3.4Å; F19-N69 PolarHBondContact O-OD1 2.74Å; F19-W101 HydrophobicContact CD1-CH2 4.03Å; F19-W101 HydrophobicContact CD1-CZ3 4.44Å; F19-W101 AromaticContact CE1-CH2 2.99Å; F19-W101 HydrophobicContact CE1-CH2 2.99Å; F19-W101 AromaticContact CE1-CZ2 3.45Å; F19-W101 HydrophobicContact CE1-CZ2 3.45Å; F19-W101 VanDerWaalsContact CE1-CZ2 3.45Å; F19-W101 AromaticContact CE1-CZ3 3.68Å; F19-W101 HydrophobicContact CE1-CZ3 3.68Å; F19-W101 AromaticContact CZ-CH2 3.32Å; F19-W101 HydrophobicContact CZ-CH2 3.32Å; F19-W101 AromaticContact CZ-CZ2 3.32Å; F19-W101 HydrophobicContact CZ-CZ2 3.32Å; F19-W101 AromaticContact CZ-CZ3 3.92Å; F19-W101 HydrophobicContact CZ-CZ3 3.92Å
20	P	89.1	Confident	88.7	Confident	74 Å²	74	41.9 Å²	41.9	48%	0.481	26%	0.257	S	S	.	.			trans	-65.5	145.2	177.3	-21.2	33.1	0	0	0	113.2	T22 S23 N69	P20-T22 PolarHBondContact O-N 3.4Å; P20-T22 VanDerWaalsContact O-N 3.12Å; P20-S23 WeakPolarHBondContact O-CB 3.22Å; P20-S23 PolarHBondContact O-N 3.18Å; P20-S23 PolarHBondContact O-OG 3.43Å; P20-N69 WeakPolarHBondContact CA-OD1 3.13Å
21	I	89	Confident	88.9	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.2	176.1	-171.8	168.4	0	0	0	112.8	I16 S23 W27 R64 T66 N69 Q70 F71	I16-I21 HydrophobicContact CD1-CB 3.65Å; I16-I21 HydrophobicContact CD1-CD1 3.65Å; I16-I21 HydrophobicContact CD1-CG1 3.42Å; I16-I21 VanDerWaalsContact CD1-CG1 3.42Å; I21-S23 VanDerWaalsContact C-N 3.31Å; I21-W27 HydrophobicContact CB-CZ2 4.34Å; I21-W27 HydrophobicContact CG1-CD2 4.34Å; I21-W27 HydrophobicContact CG1-CG 4.41Å; I21-W27 HydrophobicContact CG1-CZ2 4.07Å; I21-W27 PolarHBondContact O-NE1 2.88Å; I21-R64 HydrophobicContact CD1-CB 3.78Å; I21-T66 HydrophobicContact CG2-CG2 3.97Å; I21-N69 WeakPolarHBondContact CB-OD1 3.3Å; I21-N69 PolarHBondContact N-OD1 3.48Å; I21-Q70 WeakPolarHBondContact CD1-O 3.49Å; I21-F71 HydrophobicContact CD1-CB 3.91Å; I21-F71 HydrophobicContact CD1-CD1 4.36Å
22	T	89.7	Confident	88.9	Confident	73 Å²	73	39.3 Å²	39.3	45%	0.448	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-3	173.1	54.1	0	0	0	0	113	P20 T66	P20-T22 PolarHBondContact O-N 3.4Å; P20-T22 VanDerWaalsContact O-N 3.12Å; T22-T66 HydrophobicContact CG2-CG2 3.85Å
23	S	84.6	Confident	88.9	Confident	33 Å²	33	39.5 Å²	39.5	23%	0.231	25%	0.248	C	C	.	.	S	Bend	trans	-61.5	144.3	168.5	-53.8	0	0	0	0	108.8	P20 I21 Y25 H46	P20-S23 WeakPolarHBondContact O-CB 3.22Å; P20-S23 PolarHBondContact O-N 3.18Å; P20-S23 PolarHBondContact O-OG 3.43Å; I21-S23 VanDerWaalsContact C-N 3.31Å; S23-Y25 PolarHBondContact O-N 3.48Å; S23-H46 WeakPolarHBondContact O-CB 3.45Å
24	G	86.4	Confident	88.8	Confident	30 Å²	30	41 Å²	41	31%	0.309	26%	0.259	S	S	.	.	S	Bend	trans	-58.8	59.8	-171.9	0	0	0	0	0	116.7	S93	G24-S93 WeakPolarHBondContact O-CB 3.35Å; G24-S93 PolarHBondContact O-N 3.23Å
25	Y	86.6	Confident	88.7	Confident	19 Å²	19	45.2 Å²	45.2	8%	0.075	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	157.2	-178.1	-73	-100.2	0	0	0	110.4	F19 S23 W27 H46 D91 R92	F19-Y25 HydrophobicContact CD2-CD2 4.19Å; F19-Y25 AromaticContact CD2-CE2 3.86Å; F19-Y25 HydrophobicContact CD2-CE2 3.86Å; F19-Y25 HydrophobicContact CE1-CE2 4.28Å; F19-Y25 AromaticContact CE1-CZ 3.95Å; F19-Y25 HydrophobicContact CE2-CD1 4.28Å; F19-Y25 AromaticContact CE2-CD2 3.47Å; F19-Y25 HydrophobicContact CE2-CD2 3.47Å; F19-Y25 VanDerWaalsContact CE2-CD2 3.47Å; F19-Y25 HydrophobicContact CE2-CE1 4.04Å; F19-Y25 AromaticContact CE2-CE2 3.2Å; F19-Y25 HydrophobicContact CE2-CE2 3.2Å; F19-Y25 HydrophobicContact CE2-CG 4.02Å; F19-Y25 AromaticContact CE2-CZ 3.52Å; F19-Y25 HydrophobicContact CZ-CD1 4.27Å; F19-Y25 HydrophobicContact CZ-CD2 4.1Å; F19-Y25 AromaticContact CZ-CE1 3.68Å; F19-Y25 HydrophobicContact CZ-CE1 3.68Å; F19-Y25 AromaticContact CZ-CE2 3.51Å; F19-Y25 HydrophobicContact CZ-CE2 3.51Å; F19-Y25 HydrophobicContact CZ-CG 4.47Å; F19-Y25 AromaticContact CZ-CZ 3.26Å; F19-Y25 WeakPolarHBondContact CZ-OH 3.37Å; S23-Y25 PolarHBondContact O-N 3.48Å; Y25-W27 HydrophobicContact CD2-CH2 4.4Å; Y25-W27 HydrophobicContact CD2-CZ2 4.34Å; Y25-W27 HydrophobicContact CG-CH2 4.11Å; Y25-W27 HydrophobicContact CG-CZ2 4.15Å; Y25-H46 PolarHBondContact O-N 2.89Å; Y25-D91 CarbonylContact C-O 3.41Å; Y25-D91 WeakPolarHBondContact CA-O 3.08Å; Y25-R92 HydrophobicContact CD1-CB 3.79Å; Y25-R92 HydrophobicContact CD1-CG 4.33Å; Y25-R92 HydrophobicContact CD2-CG 4.36Å; Y25-R92 HydrophobicContact CE1-CB 3.5Å; Y25-R92 HydrophobicContact CE1-CG 3.99Å; Y25-R92 HydrophobicContact CE2-CB 4.42Å; Y25-R92 HydrophobicContact CE2-CG 3.99Å; Y25-R92 HydrophobicContact CG-CB 4.38Å
26	Y	89.6	Confident	88.7	Confident	68 Å²	68	48.8 Å²	48.8	27%	0.267	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	124.9	161.3	-55.4	-84.1	0	0	0	107.5	Y43 T45 G90 D91	Y26-Y43 AromaticContact CD1-CD2 3.85Å; Y26-Y43 HydrophobicContact CD1-CD2 3.85Å; Y26-Y43 AromaticContact CD1-CE2 3.7Å; Y26-Y43 HydrophobicContact CD1-CE2 3.7Å; Y26-Y43 HydrophobicContact CE1-CE2 4.24Å; Y26-T45 HydrophobicContact CD1-CG2 3.77Å; Y26-T45 HydrophobicContact CE1-CG2 3.78Å; Y26-G90 WeakPolarHBondContact O-CA 3.11Å; Y26-D91 HydrophobicContact CD2-CB 4.35Å; Y26-D91 WeakPolarHBondContact CD2-O 3.19Å; Y26-D91 PolarHBondContact N-O 2.93Å; Y26-D91 PolarHBondContact O-N 3.45Å
27	W	90.9	Very high	88.8	Confident	1 Å²	1	53.5 Å²	53.5	0%	0.004	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	110.8	-178.8	-54.1	110.9	0	0	0	109.3	I16 F19 I21 Y25 Y43 I44 F71	I16-W27 HydrophobicContact CB-CH2 4.37Å; I16-W27 HydrophobicContact CD1-CD2 3.77Å; I16-W27 HydrophobicContact CD1-CE3 3.65Å; I16-W27 HydrophobicContact CD1-CH2 3.36Å; I16-W27 HydrophobicContact CD1-CZ2 3.62Å; I16-W27 HydrophobicContact CD1-CZ3 3.44Å; I16-W27 VanDerWaalsContact CD1-CZ3 3.44Å; I16-W27 HydrophobicContact CG1-CE3 4.06Å; I16-W27 HydrophobicContact CG1-CH2 3.78Å; I16-W27 HydrophobicContact CG1-CZ3 3.58Å; I16-W27 HydrophobicContact CG2-CH2 3.72Å; I16-W27 HydrophobicContact CG2-CZ3 4.12Å; F19-W27 HydrophobicContact CD2-CH2 4.1Å; F19-W27 AromaticContact CE2-CH2 3.36Å; F19-W27 HydrophobicContact CE2-CH2 3.36Å; F19-W27 HydrophobicContact CE2-CZ2 4.12Å; F19-W27 HydrophobicContact CE2-CZ3 4.24Å; F19-W27 HydrophobicContact CZ-CH2 4.2Å; I21-W27 HydrophobicContact CB-CZ2 4.34Å; I21-W27 HydrophobicContact CG1-CD2 4.34Å; I21-W27 HydrophobicContact CG1-CG 4.41Å; I21-W27 HydrophobicContact CG1-CZ2 4.07Å; I21-W27 PolarHBondContact O-NE1 2.88Å; Y25-W27 HydrophobicContact CD2-CH2 4.4Å; Y25-W27 HydrophobicContact CD2-CZ2 4.34Å; Y25-W27 HydrophobicContact CG-CH2 4.11Å; Y25-W27 HydrophobicContact CG-CZ2 4.15Å; W27-Y43 CarbonylContact O-C 3.5Å; W27-Y43 WeakPolarHBondContact O-CA 3.45Å; W27-Y43 VanDerWaalsContact O-CB 3.3Å; W27-Y43 WeakPolarHBondContact O-CB 3.38Å; W27-I44 HydrophobicContact CB-CG2 3.76Å; W27-I44 WeakPolarHBondContact CB-O 3.38Å; W27-I44 VanDerWaalsContact CD1-O 3.29Å; W27-I44 HydrophobicContact CG-CG2 4.4Å; W27-I44 PolarHBondContact N-O 2.75Å; W27-I44 PolarHBondContact O-N 2.9Å; W27-F71 HydrophobicContact CB-CD1 4.09Å; W27-F71 HydrophobicContact CB-CD2 3.96Å; W27-F71 HydrophobicContact CB-CE1 3.99Å; W27-F71 HydrophobicContact CB-CE2 3.88Å; W27-F71 HydrophobicContact CB-CG 4.05Å; W27-F71 HydrophobicContact CB-CZ 3.85Å; W27-F71 HydrophobicContact CD2-CE1 4.4Å; W27-F71 HydrophobicContact CE3-CE1 4.02Å; W27-F71 HydrophobicContact CG-CD1 4.39Å; W27-F71 HydrophobicContact CG-CE1 4.43Å
28	I	91.7	Very high	89.1	Confident	9 Å²	9	53.8 Å²	53.8	5%	0.046	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	138.3	-160.3	-53.6	174.5	0	0	0	109.7	I30 W40 C88 A89 D91 F98	I28-I30 HydrophobicContact CG2-CD1 4.31Å; I28-I30 HydrophobicContact CG2-CG1 3.98Å; I28-W40 VanDerWaalsContact CG2-CD1 3.43Å; I28-C88 WeakPolarHBondContact O-CA 3.3Å; I28-A89 HydrophobicContact CB-CB 4.28Å; I28-A89 PolarHBondContact N-O 2.66Å; I28-A89 PolarHBondContact O-N 3.04Å; I28-D91 HydrophobicContact CD1-CB 3.85Å; I28-F98 HydrophobicContact CD1-CD1 3.97Å; I28-F98 HydrophobicContact CD1-CE1 3.58Å
29	W	92.8	Very high	89.5	Confident	8 Å²	8	52.2 Å²	52.2	3%	0.03	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	133.2	166.7	-78.2	103.2	0	0	0	110.9	L12 C14 M41 G42 F71 L73 C88	L12-W29 HydrophobicContact CB-CH2 3.71Å; L12-W29 HydrophobicContact CB-CZ2 4.28Å; L12-W29 HydrophobicContact CB-CZ3 4.14Å; L12-W29 HydrophobicContact CD1-CZ3 4.41Å; C14-W29 HydrophobicContact CB-CH2 4.07Å; C14-W29 HydrophobicContact CB-CZ2 3.94Å; W29-M41 HydrophobicContact CB-CB 4.24Å; W29-M41 WeakPolarHBondContact O-CB 3.34Å; W29-M41 PolarHBondContact O-N 3.37Å; W29-G42 PolarHBondContact N-O 3.27Å; W29-F71 AromaticContact CD1-CD2 3.93Å; W29-F71 AromaticContact CD1-CE2 3.77Å; W29-F71 HydrophobicContact CD2-CE2 4.35Å; W29-F71 AromaticContact CE2-CD2 3.92Å; W29-F71 AromaticContact CE2-CE2 3.73Å; W29-F71 HydrophobicContact CG-CE2 4.38Å; W29-F71 HydrophobicContact CZ2-CD2 4.33Å; W29-F71 HydrophobicContact CZ2-CE2 4.24Å; W29-F71 AromaticContact NE1-CD2 3.24Å; W29-F71 AromaticContact NE1-CE2 3.33Å; W29-F71 VanDerWaalsContact NE1-CE2 3.33Å; W29-L73 HydrophobicContact CB-CD2 4.14Å; W29-L73 HydrophobicContact CD2-CB 3.65Å; W29-L73 HydrophobicContact CD2-CD2 3.87Å; W29-L73 HydrophobicContact CD2-CG 4.33Å; W29-L73 VanDerWaalsContact CE2-CB 3.42Å; W29-L73 HydrophobicContact CE3-CB 4.27Å; W29-L73 HydrophobicContact CE3-CD2 3.98Å; W29-L73 HydrophobicContact CG-CB 3.89Å; W29-L73 HydrophobicContact CG-CD1 4.35Å; W29-L73 HydrophobicContact CG-CD2 3.95Å; W29-L73 HydrophobicContact CG-CG 4.3Å; W29-L73 HydrophobicContact CH2-CB 4.46Å; W29-L73 HydrophobicContact CZ2-CB 3.87Å; W29-C88 HydrophobicContact CE3-CB 4.34Å; W29-C88 HydrophobicContact CH2-CB 4.31Å; W29-C88 HydrophobicContact CZ3-CB 4.19Å
30	I	92	Very high	89.8	Confident	29 Å²	29	54 Å²	54	15%	0.149	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	140.5	179.1	-60.3	159.9	0	0	0	107.2	I28 L38 E39 Y86 Y87 A89	I28-I30 HydrophobicContact CG2-CD1 4.31Å; I28-I30 HydrophobicContact CG2-CG1 3.98Å; I30-L38 HydrophobicContact CG2-CB 3.85Å; I30-L38 HydrophobicContact CG2-CD2 3.84Å; I30-L38 HydrophobicContact CG2-CG 4.32Å; I30-E39 CarbonylContact C-O 3.58Å; I30-E39 WeakPolarHBondContact CA-O 3.41Å; I30-Y86 CarbonylContact O-C 3.44Å; I30-Y86 WeakPolarHBondContact O-CA 3.44Å; I30-Y87 PolarHBondContact N-O 2.76Å; I30-Y87 PolarHBondContact O-N 2.79Å; I30-A89 HydrophobicContact CD1-CB 4.11Å
31	R	91.4	Very high	90	Very high	23 Å²	23	50.5 Å²	50.5	9%	0.087	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	156.5	169.7	68.6	178.3	-176	-179.7	2.9	111.8	E39 M41 D82 A84 M85 Y86	R31-E39 HydrophobicContact CG-CB 4.12Å; R31-E39 IonicContact CZ-OE2 3.51Å; R31-E39 VanDerWaalsContact CZ-OE2 3.25Å; R31-E39 PolarHBondContact N-O 2.85Å; R31-E39 IonicContact NE-OE2 2.88Å; R31-E39 PolarHBondContact NE-OE2 2.93Å; R31-E39 IonicContact NH2-OE1 2.78Å; R31-E39 IonicContact NH2-OE2 3.08Å; R31-E39 PolarHBondContact NH2-OE2 2.87Å; R31-E39 PolarHBondContact O-N 3Å; R31-M41 HydrophobicContact CB-CG 4.21Å; R31-M41 HydrophobicContact CB-SD 3.66Å; R31-M41 HydrophobicContact CG-CG 3.83Å; R31-M41 HydrophobicContact CG-SD 3.74Å; R31-D82 IonicContact NH1-OD1 2.88Å; R31-D82 PolarHBondContact NH1-OD1 3.47Å; R31-D82 VanDerWaalsContact NH1-OD1 3.08Å; R31-A84 HydrophobicContact CB-CB 4.1Å; R31-M85 CarbonylContact C-O 3.59Å; R31-M85 VanDerWaalsContact CA-O 3.22Å; R31-M85 WeakPolarHBondContact CA-O 3.37Å; R31-Y86 HydrophobicContact CB-CD1 3.94Å; R31-Y86 HydrophobicContact CB-CE1 3.91Å; R31-Y86 HydrophobicContact CB-CG 4.49Å
32	Q	91.2	Very high	90.2	Very high	67 Å²	67	50.4 Å²	50.4	31%	0.313	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	105.4	175.3	-164.5	-177.7	14.1	0	0	109.6	K36 L38 A84 M85 Y87	Q32-K36 WeakPolarHBondContact CG-O 3.32Å; Q32-L38 HydrophobicContact CB-CD2 3.9Å; Q32-L38 HydrophobicContact CG-CD2 4.11Å; Q32-A84 CarbonylContact O-C 3.6Å; Q32-A84 WeakPolarHBondContact O-CA 3.44Å; Q32-A84 WeakPolarHBondContact O-CB 3.36Å; Q32-M85 HydrophobicContact CB-CB 4.26Å; Q32-M85 PolarHBondContact N-O 2.88Å; Q32-M85 PolarHBondContact O-N 2.76Å; Q32-Y87 HydrophobicContact CB-CE2 3.81Å; Q32-Y87 PolarHBondContact OE1-OH 2.8Å; Q32-Y87 VanDerWaalsContact OE1-OH 3.11Å
33	S	90.7	Very high	90.4	Very high	16 Å²	16	50.1 Å²	50.1	11%	0.112	28%	0.283	C	S	.	.			trans	-70.6	152.4	171.2	-49.5	0	0	0	0	110.3	G35 K36	S33-G35 PolarHBondContact O-N 3.19Å; S33-K36 PolarHBondContact O-N 3.02Å
34	P	88.9	Confident	90.8	Very high	106 Å²	106	48.8 Å²	48.8	69%	0.688	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	124.9	175.3	-25.8	34.3	0	0	0	111.8	K36 T83	P34-K36 VanDerWaalsContact C-N 3.27Å; P34-K36 PolarHBondContact O-N 2.99Å; P34-T83 WeakPolarHBondContact CD-O 3.37Å
35	G	89.8	Confident	91.1	Very high	94 Å²	94	47.7 Å²	47.7	97%	0.969	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	7.1	-179.8	0	0	0	0	0	115.9	S33	S33-G35 PolarHBondContact O-N 3.19Å
36	K	89.2	Confident	91.2	Very high	136 Å²	136	50 Å²	50	59%	0.591	27%	0.272	S	S	*	.	S	Bend	trans	-111.2	156.9	177.3	-65.2	-164.3	-175.3	175.9	0	112.1	Q32 S33 P34	Q32-K36 WeakPolarHBondContact CG-O 3.32Å; S33-K36 PolarHBondContact O-N 3.02Å; P34-K36 VanDerWaalsContact C-N 3.27Å; P34-K36 PolarHBondContact O-N 2.99Å
37	P	89.8	Confident	91.2	Very high	108 Å²	108	50 Å²	50	70%	0.701	28%	0.281	S	S	*	.			trans	-65.1	169.5	171.3	29.2	-36.2	0	0	0	111.8	E39	P37-E39 PolarHBondContact O-N 2.95Å
38	L	90.1	Very high	91.2	Very high	107 Å²	107	51.3 Å²	51.3	56%	0.56	30%	0.296	S	S	*	.			trans	-61.7	128.8	170.1	-66.3	173.6	0	0	0	109.9	I30 Q32 Y87	I30-L38 HydrophobicContact CG2-CB 3.85Å; I30-L38 HydrophobicContact CG2-CD2 3.84Å; I30-L38 HydrophobicContact CG2-CG 4.32Å; Q32-L38 HydrophobicContact CB-CD2 3.9Å; Q32-L38 HydrophobicContact CG-CD2 4.11Å; L38-Y87 HydrophobicContact CD2-CD2 4.13Å; L38-Y87 HydrophobicContact CD2-CE2 3.98Å
39	E	90.9	Very high	91.2	Very high	52 Å²	52	57.2 Å²	57.2	24%	0.243	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	115.8	177	-173.7	-178.6	-165	0	0	108.8	I30 R31 P37 M41	I30-E39 CarbonylContact C-O 3.58Å; I30-E39 WeakPolarHBondContact CA-O 3.41Å; R31-E39 HydrophobicContact CG-CB 4.12Å; R31-E39 IonicContact CZ-OE2 3.51Å; R31-E39 VanDerWaalsContact CZ-OE2 3.25Å; R31-E39 PolarHBondContact N-O 2.85Å; R31-E39 IonicContact NE-OE2 2.88Å; R31-E39 PolarHBondContact NE-OE2 2.93Å; R31-E39 IonicContact NH2-OE1 2.78Å; R31-E39 IonicContact NH2-OE2 3.08Å; R31-E39 PolarHBondContact NH2-OE2 2.87Å; R31-E39 PolarHBondContact O-N 3Å; P37-E39 PolarHBondContact O-N 2.95Å; E39-M41 PolarHBondContact O-N 3.3Å
40	W	91.3	Very high	91.3	Very high	80 Å²	80	59.6 Å²	59.6	30%	0.303	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	130.7	172.5	169.8	72.9	0	0	0	109.8	I28 G42 Y43 F51 N53	I28-W40 VanDerWaalsContact CG2-CD1 3.43Å; W40-G42 PolarHBondContact NE1-O 3.13Å; W40-Y43 AromaticContact CZ2-CD1 3.69Å; W40-Y43 HydrophobicContact CZ2-CD1 3.69Å; W40-Y43 HydrophobicContact CZ2-CE1 4.11Å; W40-F51 AromaticContact CH2-CD1 3.38Å; W40-F51 HydrophobicContact CH2-CD1 3.38Å; W40-F51 AromaticContact CH2-CE1 3.66Å; W40-F51 HydrophobicContact CH2-CE1 3.66Å; W40-F51 AromaticContact CZ2-CD1 3.84Å; W40-F51 HydrophobicContact CZ2-CD1 3.84Å; W40-F51 HydrophobicContact CZ3-CD1 4.47Å; W40-F51 HydrophobicContact CZ3-CE1 4.37Å; W40-N53 HydrophobicContact CD2-CB 4.38Å; W40-N53 HydrophobicContact CE3-CB 3.51Å; W40-N53 HydrophobicContact CH2-CB 4.1Å; W40-N53 HydrophobicContact CZ3-CB 3.36Å; W40-N53 WeakPolarHBondContact O-CB 3.4Å; W40-N53 PolarHBondContact O-ND2 2.68Å
41	M	92.9	Very high	91.3	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-39.1	-177.1	-61.5	-173.5	70.4	0	0	112.5	W29 R31 E39 N53 L56 I60 L73 L75 Y86	W29-M41 HydrophobicContact CB-CB 4.24Å; W29-M41 WeakPolarHBondContact O-CB 3.34Å; W29-M41 PolarHBondContact O-N 3.37Å; R31-M41 HydrophobicContact CB-CG 4.21Å; R31-M41 HydrophobicContact CB-SD 3.66Å; R31-M41 HydrophobicContact CG-CG 3.83Å; R31-M41 HydrophobicContact CG-SD 3.74Å; E39-M41 PolarHBondContact O-N 3.3Å; M41-N53 WeakPolarHBondContact O-CB 3.5Å; M41-N53 PolarHBondContact O-N 3.09Å; M41-L56 HydrophobicContact CB-CD1 3.97Å; M41-L56 HydrophobicContact CE-CD1 4.37Å; M41-L56 HydrophobicContact CE-CD2 4.3Å; M41-L56 HydrophobicContact CG-CD2 4.31Å; M41-L56 WeakPolarHBondContact O-CD1 2.96Å; M41-I60 HydrophobicContact CB-CD1 4.08Å; M41-I60 HydrophobicContact CE-CD1 4.36Å; M41-I60 HydrophobicContact CE-CG2 3.91Å; M41-I60 WeakPolarHBondContact O-CD1 3.32Å; M41-L73 HydrophobicContact CE-CD2 3.93Å; M41-L73 HydrophobicContact SD-CD2 3.81Å; M41-L75 HydrophobicContact CE-CD2 4.17Å; M41-Y86 HydrophobicContact CE-CE1 4.04Å; M41-Y86 HydrophobicContact SD-CD1 3.89Å; M41-Y86 HydrophobicContact SD-CE1 3.73Å
42	G	93.6	Very high	91.4	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.4	173.1	-172.8	0	0	0	0	0	111.4	W29 W40 F51 I62	W29-G42 PolarHBondContact N-O 3.27Å; W40-G42 PolarHBondContact NE1-O 3.13Å; G42-F51 CarbonylContact C-O 3.58Å; G42-F51 WeakPolarHBondContact CA-O 3.39Å; G42-I62 VanDerWaalsContact C-CD1 3.48Å
43	Y	93.1	Very high	91.4	Very high	66 Å²	66	64.6 Å²	64.6	26%	0.259	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	161.5	169.9	67	-101.5	0	0	0	112	Y26 W27 W40 T45 T50 F51	Y26-Y43 AromaticContact CD1-CD2 3.85Å; Y26-Y43 HydrophobicContact CD1-CD2 3.85Å; Y26-Y43 AromaticContact CD1-CE2 3.7Å; Y26-Y43 HydrophobicContact CD1-CE2 3.7Å; Y26-Y43 HydrophobicContact CE1-CE2 4.24Å; W27-Y43 CarbonylContact O-C 3.5Å; W27-Y43 WeakPolarHBondContact O-CA 3.45Å; W27-Y43 VanDerWaalsContact O-CB 3.3Å; W27-Y43 WeakPolarHBondContact O-CB 3.38Å; W40-Y43 AromaticContact CZ2-CD1 3.69Å; W40-Y43 HydrophobicContact CZ2-CD1 3.69Å; W40-Y43 HydrophobicContact CZ2-CE1 4.11Å; Y43-T45 HydrophobicContact CD2-CG2 4.16Å; Y43-T45 HydrophobicContact CE2-CG2 3.74Å; Y43-T50 WeakPolarHBondContact O-CA 3.43Å; Y43-F51 HydrophobicContact CD1-CB 4.18Å; Y43-F51 HydrophobicContact CD2-CB 4.42Å; Y43-F51 HydrophobicContact CE1-CB 3.62Å; Y43-F51 AromaticContact CE1-CD1 3.89Å; Y43-F51 HydrophobicContact CE1-CD1 3.89Å; Y43-F51 HydrophobicContact CE1-CG 4.09Å; Y43-F51 HydrophobicContact CE2-CB 3.89Å; Y43-F51 VanDerWaalsContact CZ-CB 3.45Å; Y43-F51 PolarHBondContact N-O 3.31Å; Y43-F51 PolarHBondContact O-N 3.49Å
44	I	94.3	Very high	91.2	Very high	6 Å²	6	69.6 Å²	69.6	3%	0.031	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	131.7	165.3	-172.3	165.4	0	0	0	109.6	W27 E49 T50 I62 R64 F71	W27-I44 HydrophobicContact CB-CG2 3.76Å; W27-I44 WeakPolarHBondContact CB-O 3.38Å; W27-I44 VanDerWaalsContact CD1-O 3.29Å; W27-I44 HydrophobicContact CG-CG2 4.4Å; W27-I44 PolarHBondContact N-O 2.75Å; W27-I44 PolarHBondContact O-N 2.9Å; I44-E49 CarbonylContact C-O 3.47Å; I44-E49 VanDerWaalsContact CA-O 3.3Å; I44-E49 WeakPolarHBondContact CA-O 3.4Å; I44-T50 HydrophobicContact CB-CG2 4Å; I44-T50 HydrophobicContact CD1-CG2 3.8Å; I44-T50 HydrophobicContact CG1-CG2 3.79Å; I44-I62 HydrophobicContact CB-CG2 3.75Å; I44-I62 HydrophobicContact CG2-CG2 3.65Å; I44-R64 HydrophobicContact CD1-CB 4.01Å; I44-R64 HydrophobicContact CD1-CG 3.75Å; I44-F71 HydrophobicContact CG2-CB 4.37Å
45	T	91.9	Very high	91	Very high	6 Å²	6	68.7 Å²	68.7	4%	0.037	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	164.6	179	69.4	0	0	0	0	111.2	Y26 Y43 S47 G48 E49 R64	Y26-T45 HydrophobicContact CD1-CG2 3.77Å; Y26-T45 HydrophobicContact CE1-CG2 3.78Å; Y43-T45 HydrophobicContact CD2-CG2 4.16Å; Y43-T45 HydrophobicContact CE2-CG2 3.74Å; T45-S47 PolarHBondContact O-N 3.08Å; T45-S47 PolarHBondContact OG1-N 2.9Å; T45-S47 VanDerWaalsContact OG1-N 3.15Å; T45-S47 PolarHBondContact OG1-OG 2.88Å; T45-G48 WeakPolarHBondContact O-CA 3.21Å; T45-G48 PolarHBondContact O-N 2.98Å; T45-G48 PolarHBondContact OG1-N 3.27Å; T45-E49 HydrophobicContact CG2-CB 3.95Å; T45-E49 PolarHBondContact N-O 3.17Å; T45-E49 PolarHBondContact OG1-N 2.83Å; T45-R64 PolarHBondContact O-NH1 2.77Å
46	H	88.4	Confident	90.6	Very high	68 Å²	68	65.4 Å²	65.4	32%	0.315	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-19.3	166	74.8	-81.2	0	0	0	114.4	S23 Y25 R64	S23-H46 WeakPolarHBondContact O-CB 3.45Å; Y25-H46 PolarHBondContact O-N 2.89Å; H46-R64 VanDerWaalsContact O-CZ 3.26Å; H46-R64 PolarHBondContact O-NH1 3.17Å; H46-R64 PolarHBondContact O-NH2 3.02Å
47	S	90.4	Very high	89.8	Confident	67 Å²	67	66.7 Å²	66.7	47%	0.469	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-16	170.4	54.7	0	0	0	0	112.5	T45 E49 R64	T45-S47 PolarHBondContact O-N 3.08Å; T45-S47 PolarHBondContact OG1-N 2.9Å; T45-S47 VanDerWaalsContact OG1-N 3.15Å; T45-S47 PolarHBondContact OG1-OG 2.88Å; S47-E49 PolarHBondContact OG-OE2 3.2Å; S47-R64 PolarHBondContact O-NH2 3.36Å; S47-R64 VanDerWaalsContact O-NH2 3.11Å
48	G	90.4	Very high	89.1	Confident	30 Å²	30	62.2 Å²	62.2	31%	0.309	33%	0.327	S	S	.	.			trans	98.4	8	178.5	0	0	0	0	0	114.1	T45	T45-G48 WeakPolarHBondContact O-CA 3.21Å; T45-G48 PolarHBondContact O-N 2.98Å; T45-G48 PolarHBondContact OG1-N 3.27Å
49	E	92.6	Very high	88.8	Confident	133 Å²	133	61 Å²	61	62%	0.621	33%	0.325	S	S	*	.			trans	-73.4	136.8	173.5	-63.4	174.1	144.8	0	0	109.6	I44 T45 S47	I44-E49 CarbonylContact C-O 3.47Å; I44-E49 VanDerWaalsContact CA-O 3.3Å; I44-E49 WeakPolarHBondContact CA-O 3.4Å; T45-E49 HydrophobicContact CG2-CB 3.95Å; T45-E49 PolarHBondContact N-O 3.17Å; T45-E49 PolarHBondContact OG1-N 2.83Å; S47-E49 PolarHBondContact OG-OE2 3.2Å
50	T	94.6	Very high	88.8	Confident	58 Å²	58	59.7 Å²	59.7	36%	0.356	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	142.8	-179.9	51	0	0	0	0	110.8	Y43 I44 Y52 I62	Y43-T50 WeakPolarHBondContact O-CA 3.43Å; I44-T50 HydrophobicContact CB-CG2 4Å; I44-T50 HydrophobicContact CD1-CG2 3.8Å; I44-T50 HydrophobicContact CG1-CG2 3.79Å; T50-Y52 PolarHBondContact OG1-OH 3.49Å; T50-I62 HydrophobicContact CG2-CB 4.49Å; T50-I62 WeakPolarHBondContact CG2-O 3.34Å
51	F	92.9	Very high	88.9	Confident	111 Å²	111	57.4 Å²	57.4	49%	0.487	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	136.1	173	-164.8	-102.1	0	0	0	109.1	W40 G42 Y43	W40-F51 AromaticContact CH2-CD1 3.38Å; W40-F51 HydrophobicContact CH2-CD1 3.38Å; W40-F51 AromaticContact CH2-CE1 3.66Å; W40-F51 HydrophobicContact CH2-CE1 3.66Å; W40-F51 AromaticContact CZ2-CD1 3.84Å; W40-F51 HydrophobicContact CZ2-CD1 3.84Å; W40-F51 HydrophobicContact CZ3-CD1 4.47Å; W40-F51 HydrophobicContact CZ3-CE1 4.37Å; G42-F51 CarbonylContact C-O 3.58Å; G42-F51 WeakPolarHBondContact CA-O 3.39Å; Y43-F51 HydrophobicContact CD1-CB 4.18Å; Y43-F51 HydrophobicContact CD2-CB 4.42Å; Y43-F51 HydrophobicContact CE1-CB 3.62Å; Y43-F51 AromaticContact CE1-CD1 3.89Å; Y43-F51 HydrophobicContact CE1-CD1 3.89Å; Y43-F51 HydrophobicContact CE1-CG 4.09Å; Y43-F51 HydrophobicContact CE2-CB 3.89Å; Y43-F51 VanDerWaalsContact CZ-CB 3.45Å; Y43-F51 PolarHBondContact N-O 3.31Å; Y43-F51 PolarHBondContact O-N 3.49Å
52	Y	92.5	Very high	89	Confident	83 Å²	83	57.6 Å²	57.6	33%	0.325	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	148.6	-171.5	-58.2	-74.5	0	0	0	110.5	T50 P54 I60 I62	T50-Y52 PolarHBondContact OG1-OH 3.49Å; Y52-P54 WeakPolarHBondContact O-CD 3.19Å; Y52-I60 HydrophobicContact CD1-CD1 3.77Å; Y52-I60 HydrophobicContact CD1-CG1 3.68Å; Y52-I60 HydrophobicContact CE1-CD1 4.34Å; Y52-I60 HydrophobicContact CE1-CG1 4.07Å; Y52-I62 HydrophobicContact CD1-CD1 4.3Å; Y52-I62 HydrophobicContact CE1-CB 4.3Å; Y52-I62 HydrophobicContact CE1-CD1 4.15Å; Y52-I62 HydrophobicContact CE1-CG1 4.01Å
53	N	90.8	Very high	89.1	Confident	29 Å²	29	60.6 Å²	60.6	16%	0.155	34%	0.335	C	S	.	.			trans	-74.3	118.9	172.5	-174.1	-15	0	0	0	110.1	W40 M41 S55 L56	W40-N53 HydrophobicContact CD2-CB 4.38Å; W40-N53 HydrophobicContact CE3-CB 3.51Å; W40-N53 HydrophobicContact CH2-CB 4.1Å; W40-N53 HydrophobicContact CZ3-CB 3.36Å; W40-N53 WeakPolarHBondContact O-CB 3.4Å; W40-N53 PolarHBondContact O-ND2 2.68Å; M41-N53 WeakPolarHBondContact O-CB 3.5Å; M41-N53 PolarHBondContact O-N 3.09Å; N53-S55 PolarHBondContact O-N 3.37Å; N53-S55 WeakPolarHBondContact OD1-CB 3.06Å; N53-S55 PolarHBondContact OD1-N 2.92Å; N53-S55 PolarHBondContact OD1-OG 3.5Å; N53-L56 HydrophobicContact CB-CD1 4.15Å; N53-L56 HydrophobicContact CB-CG 4.04Å; N53-L56 PolarHBondContact O-N 3.26Å
54	P	86.7	Confident	89.1	Confident	121 Å²	121	60.6 Å²	60.6	79%	0.786	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.5	179.9	28.4	-36.4	0	0	0	113.5	Y52 L56	Y52-P54 WeakPolarHBondContact O-CD 3.19Å; P54-L56 VanDerWaalsContact C-N 3.29Å
55	S	84.4	Confident	89	Confident	87 Å²	87	63 Å²	63	61%	0.608	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-6.6	177.8	-57.3	0	0	0	0	114	N53 Q57	N53-S55 PolarHBondContact O-N 3.37Å; N53-S55 WeakPolarHBondContact OD1-CB 3.06Å; N53-S55 PolarHBondContact OD1-N 2.92Å; N53-S55 PolarHBondContact OD1-OG 3.5Å; S55-Q57 PolarHBondContact O-N 3.04Å
56	L	82.6	Confident	89	Confident	26 Å²	26	66.7 Å²	66.7	14%	0.136	37%	0.369	C	S	.	.			trans	-72.7	125.1	176.4	-69.7	172.7	0	0	0	110.9	M41 N53 P54 I60	M41-L56 HydrophobicContact CB-CD1 3.97Å; M41-L56 HydrophobicContact CE-CD1 4.37Å; M41-L56 HydrophobicContact CE-CD2 4.3Å; M41-L56 HydrophobicContact CG-CD2 4.31Å; M41-L56 WeakPolarHBondContact O-CD1 2.96Å; N53-L56 HydrophobicContact CB-CD1 4.15Å; N53-L56 HydrophobicContact CB-CG 4.04Å; N53-L56 PolarHBondContact O-N 3.26Å; P54-L56 VanDerWaalsContact C-N 3.29Å; L56-I60 HydrophobicContact CD1-CD1 3.38Å; L56-I60 HydrophobicContact CD1-CG1 3.91Å; L56-I60 HydrophobicContact CD1-CG2 4.34Å
57	Q	71.1	Confident	89.1	Confident	162 Å²	162	68.2 Å²	68.2	76%	0.757	39%	0.387	S	S	*	.	S	Bend	trans	-76.7	-31.8	174.7	-63.2	-176	38.9	0	0	112.3	S55	S55-Q57 PolarHBondContact O-N 3.04Å
58	S	74.8	Confident	89.1	Confident	15 Å²	15	70.6 Å²	70.6	11%	0.105	39%	0.389	C	S	.	.	S	Bend	trans	-88.9	131.8	-178.2	-56	0	0	0	0	111	I60 D82	S58-I60 WeakPolarHBondContact O-CG2 3.47Å; S58-I60 PolarHBondContact O-N 2.04Å; S58-D82 PolarHBondContact OG-OD1 2.83Å; S58-D82 PolarHBondContact OG-OD2 2.78Å
59	P	84.8	Confident	89.1	Confident	81 Å²	81	70.8 Å²	70.8	53%	0.526	38%	0.382	S	S	.	.			trans	-67.1	120.7	175.6	26	-31.2	0	0	0	110	N76	P59-N76 HydrophobicContact CG-CB 4.28Å; P59-N76 PolarHBondContact O-N 2.82Å; P59-N76 VanDerWaalsContact O-N 3.15Å
60	I	91.4	Very high	89.1	Confident	24 Å²	24	66.5 Å²	66.5	12%	0.123	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	154.9	178	67.5	164	0	0	0	111.5	M41 Y52 L56 S58 I62 L73 Q74 L75	M41-I60 HydrophobicContact CB-CD1 4.08Å; M41-I60 HydrophobicContact CE-CD1 4.36Å; M41-I60 HydrophobicContact CE-CG2 3.91Å; M41-I60 WeakPolarHBondContact O-CD1 3.32Å; Y52-I60 HydrophobicContact CD1-CD1 3.77Å; Y52-I60 HydrophobicContact CD1-CG1 3.68Å; Y52-I60 HydrophobicContact CE1-CD1 4.34Å; Y52-I60 HydrophobicContact CE1-CG1 4.07Å; L56-I60 HydrophobicContact CD1-CD1 3.38Å; L56-I60 HydrophobicContact CD1-CG1 3.91Å; L56-I60 HydrophobicContact CD1-CG2 4.34Å; S58-I60 WeakPolarHBondContact O-CG2 3.47Å; S58-I60 PolarHBondContact O-N 2.04Å; I60-I62 HydrophobicContact CD1-CD1 4.33Å; I60-I62 HydrophobicContact CD1-CG1 4.49Å; I60-L73 HydrophobicContact CB-CD1 3.98Å; I60-L73 HydrophobicContact CD1-CD1 4Å; I60-L73 HydrophobicContact CG2-CD1 4.41Å; I60-Q74 CarbonylContact C-O 3.4Å; I60-Q74 VanDerWaalsContact CA-O 3.29Å; I60-Q74 WeakPolarHBondContact CA-O 3.48Å; I60-L75 HydrophobicContact CG2-CD2 4.34Å; I60-L75 HydrophobicContact CG2-CG 3.93Å
61	S	93.5	Very high	89	Confident	33 Å²	33	63.8 Å²	63.8	23%	0.231	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	129	171.2	177.3	0	0	0	0	109	Q74	S61-Q74 PolarHBondContact N-O 2.86Å; S61-Q74 PolarHBondContact O-N 2.94Å
62	I	94.7	Very high	89.1	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.015	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.9	176.8	-59.8	170.6	0	0	0	107.8	G42 I44 T50 Y52 I60 F72 L73	G42-I62 VanDerWaalsContact C-CD1 3.48Å; I44-I62 HydrophobicContact CB-CG2 3.75Å; I44-I62 HydrophobicContact CG2-CG2 3.65Å; T50-I62 HydrophobicContact CG2-CB 4.49Å; T50-I62 WeakPolarHBondContact CG2-O 3.34Å; Y52-I62 HydrophobicContact CD1-CD1 4.3Å; Y52-I62 HydrophobicContact CE1-CB 4.3Å; Y52-I62 HydrophobicContact CE1-CD1 4.15Å; Y52-I62 HydrophobicContact CE1-CG1 4.01Å; I60-I62 HydrophobicContact CD1-CD1 4.33Å; I60-I62 HydrophobicContact CD1-CG1 4.49Å; I62-F72 WeakPolarHBondContact CA-O 3.47Å; I62-L73 HydrophobicContact CG1-CD1 3.78Å
63	T	94.2	Very high	89.1	Confident	64 Å²	64	56.4 Å²	56.4	39%	0.393	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	164.9	-178.5	62.2	0	0	0	0	110.9	F71 F72	T63-F71 CarbonylContact O-C 3.52Å; T63-F71 VanDerWaalsContact O-CA 3.28Å; T63-F71 WeakPolarHBondContact O-CA 3.05Å; T63-F71 WeakPolarHBondContact O-CB 3.48Å; T63-F72 PolarHBondContact N-O 2.84Å; T63-F72 PolarHBondContact O-N 2.83Å
64	R	93.4	Very high	89.2	Confident	66 Å²	66	57.3 Å²	57.3	25%	0.249	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149	178.1	68.1	-180	-172.7	158.3	-2.8	112.1	I21 I44 T45 H46 S47 Q70 F71	I21-R64 HydrophobicContact CD1-CB 3.78Å; I44-R64 HydrophobicContact CD1-CB 4.01Å; I44-R64 HydrophobicContact CD1-CG 3.75Å; T45-R64 PolarHBondContact O-NH1 2.77Å; H46-R64 VanDerWaalsContact O-CZ 3.26Å; H46-R64 PolarHBondContact O-NH1 3.17Å; H46-R64 PolarHBondContact O-NH2 3.02Å; S47-R64 PolarHBondContact O-NH2 3.36Å; S47-R64 VanDerWaalsContact O-NH2 3.11Å; R64-Q70 WeakPolarHBondContact CA-O 3.1Å; R64-F71 HydrophobicContact CB-CB 4.19Å
65	E	93	Very high	89.4	Confident	57 Å²	57	51.6 Å²	51.6	27%	0.266	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	103.9	173.7	-176.1	170.2	-167.5	0	0	109.1	S67 K68 N69 Q70 F72	E65-S67 VanDerWaalsContact C-N 3.34Å; E65-S67 VanDerWaalsContact CG-OG 3.27Å; E65-S67 WeakPolarHBondContact CG-OG 3.33Å; E65-S67 PolarHBondContact O-N 2.96Å; E65-S67 PolarHBondContact OE1-OG 2.94Å; E65-K68 HydrophobicContact CG-CB 4.16Å; E65-K68 HydrophobicContact CG-CD 4.45Å; E65-K68 HydrophobicContact CG-CG 4.06Å; E65-K68 PolarHBondContact O-N 3.36Å; E65-K68 WeakPolarHBondContact OE1-CE 3.42Å; E65-K68 IonicContact OE1-NZ 3.25Å; E65-K68 PolarHBondContact OE1-NZ 3.05Å; E65-K68 VanDerWaalsContact OE2-CD 3.28Å; E65-K68 WeakPolarHBondContact OE2-CD 3.4Å; E65-K68 WeakPolarHBondContact OE2-CE 3.42Å; E65-K68 IonicContact OE2-NZ 2.74Å; E65-K68 PolarHBondContact OE2-NZ 2.74Å; E65-N69 PolarHBondContact O-N 2.87Å; E65-N69 VanDerWaalsContact O-N 3.13Å; E65-Q70 PolarHBondContact N-O 3.24Å; E65-Q70 PolarHBondContact O-N 2.88Å; E65-Q70 VanDerWaalsContact O-N 3.13Å; E65-F72 HydrophobicContact CB-CE2 3.62Å; E65-F72 HydrophobicContact CB-CZ 4.18Å
66	T	90.8	Very high	89.5	Confident	83 Å²	83	49.7 Å²	49.7	51%	0.509	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-35.2	-175.5	51.1	0	0	0	0	112.7	I21 T22 K68 N69	I21-T66 HydrophobicContact CG2-CG2 3.97Å; T22-T66 HydrophobicContact CG2-CG2 3.85Å; T66-K68 VanDerWaalsContact C-N 3.28Å; T66-K68 PolarHBondContact O-N 2.82Å; T66-N69 PolarHBondContact O-N 2.95Å
67	S	90.4	Very high	89.7	Confident	99 Å²	99	52.1 Å²	52.1	69%	0.692	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-33.1	178.6	54.8	0	0	0	0	113.1	E65	E65-S67 VanDerWaalsContact C-N 3.34Å; E65-S67 VanDerWaalsContact CG-OG 3.27Å; E65-S67 WeakPolarHBondContact CG-OG 3.33Å; E65-S67 PolarHBondContact O-N 2.96Å; E65-S67 PolarHBondContact OE1-OG 2.94Å
68	K	90.9	Very high	90.4	Very high	118 Å²	118	44.4 Å²	44.4	51%	0.513	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-2.9	179.9	-62.3	-168.8	-167.1	131.8	0	113.9	E65 T66 Q70	E65-K68 HydrophobicContact CG-CB 4.16Å; E65-K68 HydrophobicContact CG-CD 4.45Å; E65-K68 HydrophobicContact CG-CG 4.06Å; E65-K68 PolarHBondContact O-N 3.36Å; E65-K68 WeakPolarHBondContact OE1-CE 3.42Å; E65-K68 IonicContact OE1-NZ 3.25Å; E65-K68 PolarHBondContact OE1-NZ 3.05Å; E65-K68 VanDerWaalsContact OE2-CD 3.28Å; E65-K68 WeakPolarHBondContact OE2-CD 3.4Å; E65-K68 WeakPolarHBondContact OE2-CE 3.42Å; E65-K68 IonicContact OE2-NZ 2.74Å; E65-K68 PolarHBondContact OE2-NZ 2.74Å; T66-K68 VanDerWaalsContact C-N 3.28Å; T66-K68 PolarHBondContact O-N 2.82Å; K68-Q70 VanDerWaalsContact C-N 3.27Å; K68-Q70 HydrophobicContact CB-CB 4.27Å; K68-Q70 HydrophobicContact CB-CG 4.17Å; K68-Q70 WeakPolarHBondContact O-CG 3.33Å; K68-Q70 PolarHBondContact O-N 2.95Å
69	N	91.1	Very high	91	Very high	33 Å²	33	46.3 Å²	46.3	18%	0.176	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	41.6	-174.4	-150.5	40.3	0	0	0	113	I16 F19 P20 I21 E65 T66	I16-N69 PolarHBondContact N-O 3.15Å; I16-N69 PolarHBondContact O-ND2 3.04Å; F19-N69 PolarHBondContact O-ND2 3.4Å; F19-N69 PolarHBondContact O-OD1 2.74Å; P20-N69 WeakPolarHBondContact CA-OD1 3.13Å; I21-N69 WeakPolarHBondContact CB-OD1 3.3Å; I21-N69 PolarHBondContact N-OD1 3.48Å; E65-N69 PolarHBondContact O-N 2.87Å; E65-N69 VanDerWaalsContact O-N 3.13Å; T66-N69 PolarHBondContact O-N 2.95Å
70	Q	92.6	Very high	90.9	Very high	43 Å²	43	46.6 Å²	46.6	20%	0.201	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.1	-172.2	-77.2	172.8	-12	0	0	111.6	T13 C14 S15 I21 R64 E65 K68 F72	T13-Q70 HydrophobicContact CG2-CB 4.28Å; T13-Q70 HydrophobicContact CG2-CG 4.1Å; C14-Q70 VanDerWaalsContact O-CA 3.3Å; C14-Q70 WeakPolarHBondContact O-CA 3.24Å; S15-Q70 WeakPolarHBondContact OG-CG 3.49Å; S15-Q70 PolarHBondContact OG-NE2 3.24Å; I21-Q70 WeakPolarHBondContact CD1-O 3.49Å; R64-Q70 WeakPolarHBondContact CA-O 3.1Å; E65-Q70 PolarHBondContact N-O 3.24Å; E65-Q70 PolarHBondContact O-N 2.88Å; E65-Q70 VanDerWaalsContact O-N 3.13Å; K68-Q70 VanDerWaalsContact C-N 3.27Å; K68-Q70 HydrophobicContact CB-CB 4.27Å; K68-Q70 HydrophobicContact CB-CG 4.17Å; K68-Q70 WeakPolarHBondContact O-CG 3.33Å; K68-Q70 PolarHBondContact O-N 2.95Å; Q70-F72 HydrophobicContact CB-CE1 4.32Å; Q70-F72 HydrophobicContact CB-CE2 4.1Å; Q70-F72 HydrophobicContact CB-CZ 3.7Å
71	F	93.1	Very high	90.6	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.009	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153.1	165.5	68.2	-76.2	0	0	0	111.1	C14 I16 I21 W27 W29 I44 T63 R64 C88	C14-F71 HydrophobicContact CB-CD1 3.9Å; C14-F71 HydrophobicContact CB-CE1 3.52Å; C14-F71 HydrophobicContact CB-CE2 4.17Å; C14-F71 HydrophobicContact CB-CG 4.4Å; C14-F71 HydrophobicContact CB-CZ 3.7Å; C14-F71 PolarHBondContact N-O 2.79Å; C14-F71 PolarHBondContact O-N 2.97Å; C14-F71 WeakPolarHBondContact SG-CE1 3.34Å; I16-F71 HydrophobicContact CD1-CD1 3.85Å; I16-F71 HydrophobicContact CD1-CE1 4.09Å; I16-F71 HydrophobicContact CG1-CD1 4.23Å; I16-F71 HydrophobicContact CG1-CE1 4.1Å; I21-F71 HydrophobicContact CD1-CB 3.91Å; I21-F71 HydrophobicContact CD1-CD1 4.36Å; W27-F71 HydrophobicContact CB-CD1 4.09Å; W27-F71 HydrophobicContact CB-CD2 3.96Å; W27-F71 HydrophobicContact CB-CE1 3.99Å; W27-F71 HydrophobicContact CB-CE2 3.88Å; W27-F71 HydrophobicContact CB-CG 4.05Å; W27-F71 HydrophobicContact CB-CZ 3.85Å; W27-F71 HydrophobicContact CD2-CE1 4.4Å; W27-F71 HydrophobicContact CE3-CE1 4.02Å; W27-F71 HydrophobicContact CG-CD1 4.39Å; W27-F71 HydrophobicContact CG-CE1 4.43Å; W29-F71 AromaticContact CD1-CD2 3.93Å; W29-F71 AromaticContact CD1-CE2 3.77Å; W29-F71 HydrophobicContact CD2-CE2 4.35Å; W29-F71 AromaticContact CE2-CD2 3.92Å; W29-F71 AromaticContact CE2-CE2 3.73Å; W29-F71 HydrophobicContact CG-CE2 4.38Å; W29-F71 HydrophobicContact CZ2-CD2 4.33Å; W29-F71 HydrophobicContact CZ2-CE2 4.24Å; W29-F71 AromaticContact NE1-CD2 3.24Å; W29-F71 AromaticContact NE1-CE2 3.33Å; W29-F71 VanDerWaalsContact NE1-CE2 3.33Å; I44-F71 HydrophobicContact CG2-CB 4.37Å; T63-F71 CarbonylContact O-C 3.52Å; T63-F71 VanDerWaalsContact O-CA 3.28Å; T63-F71 WeakPolarHBondContact O-CA 3.05Å; T63-F71 WeakPolarHBondContact O-CB 3.48Å; R64-F71 HydrophobicContact CB-CB 4.19Å; F71-C88 HydrophobicContact CE1-CB 4.43Å; F71-C88 HydrophobicContact CE2-CB 4.14Å; F71-C88 HydrophobicContact CZ-CB 3.62Å
72	F	93.8	Very high	90.2	Very high	38 Å²	38	49.8 Å²	49.8	17%	0.167	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	148.7	-166.8	-48.9	-89.3	0	0	0	110.6	L12 T13 I62 T63 E65 Q70	L12-F72 CarbonylContact O-C 3.59Å; L12-F72 WeakPolarHBondContact O-CA 3.45Å; T13-F72 HydrophobicContact CG2-CD1 3.76Å; T13-F72 HydrophobicContact CG2-CE1 3.42Å; T13-F72 VanDerWaalsContact CG2-CE1 3.42Å; T13-F72 HydrophobicContact CG2-CZ 4.31Å; T13-F72 VanDerWaalsContact OG1-CD1 3.28Å; T13-F72 WeakPolarHBondContact OG1-CD1 3.33Å; T13-F72 WeakPolarHBondContact OG1-CE1 3.42Å; I62-F72 WeakPolarHBondContact CA-O 3.47Å; T63-F72 PolarHBondContact N-O 2.84Å; T63-F72 PolarHBondContact O-N 2.83Å; E65-F72 HydrophobicContact CB-CE2 3.62Å; E65-F72 HydrophobicContact CB-CZ 4.18Å; Q70-F72 HydrophobicContact CB-CE1 4.32Å; Q70-F72 HydrophobicContact CB-CE2 4.1Å; Q70-F72 HydrophobicContact CB-CZ 3.7Å
73	L	93.9	Very high	89.9	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.7	166.9	176.5	68.5	0	0	0	108	F11 L12 W29 M41 I60 I62 L75 Y86	F11-L73 WeakPolarHBondContact CA-O 3.41Å; L12-L73 HydrophobicContact CB-CB 4.31Å; L12-L73 HydrophobicContact CD1-CD2 4.17Å; L12-L73 PolarHBondContact N-O 2.89Å; L12-L73 PolarHBondContact O-N 2.9Å; W29-L73 HydrophobicContact CB-CD2 4.14Å; W29-L73 HydrophobicContact CD2-CB 3.65Å; W29-L73 HydrophobicContact CD2-CD2 3.87Å; W29-L73 HydrophobicContact CD2-CG 4.33Å; W29-L73 VanDerWaalsContact CE2-CB 3.42Å; W29-L73 HydrophobicContact CE3-CB 4.27Å; W29-L73 HydrophobicContact CE3-CD2 3.98Å; W29-L73 HydrophobicContact CG-CB 3.89Å; W29-L73 HydrophobicContact CG-CD1 4.35Å; W29-L73 HydrophobicContact CG-CD2 3.95Å; W29-L73 HydrophobicContact CG-CG 4.3Å; W29-L73 HydrophobicContact CH2-CB 4.46Å; W29-L73 HydrophobicContact CZ2-CB 3.87Å; M41-L73 HydrophobicContact CE-CD2 3.93Å; M41-L73 HydrophobicContact SD-CD2 3.81Å; I60-L73 HydrophobicContact CB-CD1 3.98Å; I60-L73 HydrophobicContact CD1-CD1 4Å; I60-L73 HydrophobicContact CG2-CD1 4.41Å; I62-L73 HydrophobicContact CG1-CD1 3.78Å; L73-L75 HydrophobicContact CD2-CD1 3.7Å; L73-L75 HydrophobicContact CG-CD1 3.69Å; L73-Y86 HydrophobicContact CD2-CD1 3.96Å; L73-Y86 HydrophobicContact CD2-CE1 4.21Å
74	Q	92.7	Very high	89.8	Confident	49 Å²	49	48.4 Å²	48.4	23%	0.229	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.8	171.4	176.7	179.8	-0.6	0	0	108.5	L10 F11 I60 S61 N76	L10-Q74 CarbonylContact O-C 3.43Å; L10-Q74 WeakPolarHBondContact O-CA 3.35Å; F11-Q74 HydrophobicContact CD1-CB 3.88Å; F11-Q74 HydrophobicContact CD1-CG 3.91Å; F11-Q74 HydrophobicContact CE1-CB 3.76Å; F11-Q74 HydrophobicContact CE1-CG 3.4Å; F11-Q74 VanDerWaalsContact CE1-CG 3.4Å; F11-Q74 HydrophobicContact CE2-CG 4.41Å; F11-Q74 HydrophobicContact CZ-CG 3.7Å; F11-Q74 VanDerWaalsContact CZ-NE2 3.34Å; I60-Q74 CarbonylContact C-O 3.4Å; I60-Q74 VanDerWaalsContact CA-O 3.29Å; I60-Q74 WeakPolarHBondContact CA-O 3.48Å; S61-Q74 PolarHBondContact N-O 2.86Å; S61-Q74 PolarHBondContact O-N 2.94Å; Q74-N76 PolarHBondContact NE2-OD1 2.94Å
75	L	90.5	Very high	89.7	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	131.1	167	-63.5	87.3	0	0	0	108	S9 L10 L12 M41 I60 L73 V78 D82 Y86	S9-L75 CarbonylContact C-O 3.51Å; S9-L75 VanDerWaalsContact CA-O 3.28Å; S9-L75 WeakPolarHBondContact CA-O 3.16Å; L10-L75 HydrophobicContact CB-CB 4.37Å; L10-L75 HydrophobicContact CB-CD1 4.49Å; L10-L75 HydrophobicContact CD2-CD1 4.05Å; L10-L75 HydrophobicContact CG-CD1 4.29Å; L10-L75 PolarHBondContact N-O 2.87Å; L10-L75 PolarHBondContact O-N 3.42Å; L12-L75 HydrophobicContact CD1-CD1 4.4Å; M41-L75 HydrophobicContact CE-CD2 4.17Å; I60-L75 HydrophobicContact CG2-CD2 4.34Å; I60-L75 HydrophobicContact CG2-CG 3.93Å; L73-L75 HydrophobicContact CD2-CD1 3.7Å; L73-L75 HydrophobicContact CG-CD1 3.69Å; L75-V78 HydrophobicContact CB-CG1 3.73Å; L75-D82 HydrophobicContact CD2-CB 4.37Å; L75-Y86 HydrophobicContact CD1-CE1 4.14Å; L75-Y86 HydrophobicContact CD2-CE1 4.16Å
76	N	87	Confident	89.6	Confident	48 Å²	48	44.7 Å²	44.7	26%	0.257	25%	0.248	S	C	.	.	S	Bend	trans	-102.8	141.3	176.7	-65.1	-44.1	0	0	0	110.4	S9 P59 Q74	S9-N76 PolarHBondContact OG-OD1 3.11Å; S9-N76 VanDerWaalsContact OG-OD1 3.13Å; P59-N76 HydrophobicContact CG-CB 4.28Å; P59-N76 PolarHBondContact O-N 2.82Å; P59-N76 VanDerWaalsContact O-N 3.15Å; Q74-N76 PolarHBondContact NE2-OD1 2.94Å
77	S	85	Confident	89.6	Confident	76 Å²	76	43.1 Å²	43.1	53%	0.531	23%	0.232	S	C	.	.	S	Bend	trans	56	54.2	178.6	-55.6	0	0	0	0	112.9	Q8	Q8-S77 PolarHBondContact O-N 2.87Å
78	V	87.4	Confident	89.7	Confident	1 Å²	1	39 Å²	39	1%	0.006	20%	0.204	C	C	.	.			trans	-60.2	144.4	-175.7	-60.6	0	0	0	0	112.2	V4 P6 S7 Q8 L10 L75 D82 V109	V4-V78 HydrophobicContact CG1-CG2 3.86Å; P6-V78 CarbonylContact C-O 3.6Å; P6-V78 WeakPolarHBondContact CA-O 3.32Å; S7-V78 PolarHBondContact N-O 3.04Å; Q8-V78 WeakPolarHBondContact O-CG2 3.43Å; Q8-V78 PolarHBondContact O-N 2.82Å; L10-V78 HydrophobicContact CB-CG1 3.72Å; L75-V78 HydrophobicContact CB-CG1 3.73Å; V78-D82 WeakPolarHBondContact CA-OD2 3.35Å; V78-D82 HydrophobicContact CB-CB 4.33Å; V78-V109 HydrophobicContact CB-CG2 4.27Å; V78-V109 HydrophobicContact CG2-CG1 4.01Å; V78-V109 HydrophobicContact CG2-CG2 3.99Å
79	T	86.4	Confident	89.6	Confident	55 Å²	55	33.5 Å²	33.5	34%	0.337	18%	0.18	S	C	.	.			trans	-116	171.3	177.7	66.9	0	0	0	0	110.6	E81 D82 V109	T79-E81 PolarHBondContact O-N 2.96Å; T79-E81 PolarHBondContact OG1-N 3.5Å; T79-D82 PolarHBondContact N-OD2 2.96Å; T79-D82 WeakPolarHBondContact O-CB 3.3Å; T79-D82 PolarHBondContact O-N 3.22Å; T79-D82 PolarHBondContact OG1-OD2 2.92Å; T79-V109 WeakPolarHBondContact O-CB 3.14Å; T79-V109 WeakPolarHBondContact O-CG1 3.43Å
80	T	83.8	Confident	89.4	Confident	86 Å²	86	31.9 Å²	31.9	53%	0.528	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-58.7	-26.2	174	48.7	0	0	0	0	112.4	D82 T83	T80-D82 VanDerWaalsContact C-N 3.25Å; T80-D82 PolarHBondContact O-N 2.82Å; T80-T83 VanDerWaalsContact O-CB 3.24Å; T80-T83 WeakPolarHBondContact O-CB 3.29Å; T80-T83 PolarHBondContact O-N 3.13Å; T80-T83 PolarHBondContact O-OG1 2.81Å
81	E	83.5	Confident	88.9	Confident	124 Å²	124	31.6 Å²	31.6	58%	0.579	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-68.7	-22.1	175.9	-57.2	-171.5	177.4	0	0	113.3	T79 T83	T79-E81 PolarHBondContact O-N 2.96Å; T79-E81 PolarHBondContact OG1-N 3.5Å; E81-T83 PolarHBondContact O-N 3Å
82	D	86.1	Confident	88.2	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-79.2	2.9	175.3	-61.7	-54.9	0	0	0	112.5	R31 S58 L75 V78 T79 T80 A84 Y86	R31-D82 IonicContact NH1-OD1 2.88Å; R31-D82 PolarHBondContact NH1-OD1 3.47Å; R31-D82 VanDerWaalsContact NH1-OD1 3.08Å; S58-D82 PolarHBondContact OG-OD1 2.83Å; S58-D82 PolarHBondContact OG-OD2 2.78Å; L75-D82 HydrophobicContact CD2-CB 4.37Å; V78-D82 WeakPolarHBondContact CA-OD2 3.35Å; V78-D82 HydrophobicContact CB-CB 4.33Å; T79-D82 PolarHBondContact N-OD2 2.96Å; T79-D82 WeakPolarHBondContact O-CB 3.3Å; T79-D82 PolarHBondContact O-N 3.22Å; T79-D82 PolarHBondContact OG1-OD2 2.92Å; T80-D82 VanDerWaalsContact C-N 3.25Å; T80-D82 PolarHBondContact O-N 2.82Å; D82-A84 PolarHBondContact O-N 2.62Å; D82-A84 VanDerWaalsContact O-N 3.13Å; D82-Y86 WeakPolarHBondContact O-CE2 3.47Å; D82-Y86 PolarHBondContact O-OH 2.79Å
83	T	89.3	Confident	86.9	Confident	34 Å²	34	38.5 Å²	38.5	21%	0.209	21%	0.206	C	C	.	.			trans	-66.9	107.1	169.5	-63.1	0	0	0	0	109.9	P34 T80 E81 V107 T108 V109	P34-T83 WeakPolarHBondContact CD-O 3.37Å; T80-T83 VanDerWaalsContact O-CB 3.24Å; T80-T83 WeakPolarHBondContact O-CB 3.29Å; T80-T83 PolarHBondContact O-N 3.13Å; T80-T83 PolarHBondContact O-OG1 2.81Å; E81-T83 PolarHBondContact O-N 3Å; T83-V107 WeakPolarHBondContact CA-O 3.48Å; T83-T108 HydrophobicContact CG2-CG2 4.33Å; T83-V109 PolarHBondContact OG1-N 3.11Å; T83-V109 PolarHBondContact OG1-O 2.66Å
84	A	91.2	Very high	85.4	Confident	3 Å²	3	41.9 Å²	41.9	3%	0.025	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	165.6	-174.9	0	0	0	0	0	111.4	R31 Q32 D82 Y86 V107	R31-A84 HydrophobicContact CB-CB 4.1Å; Q32-A84 CarbonylContact O-C 3.6Å; Q32-A84 WeakPolarHBondContact O-CA 3.44Å; Q32-A84 WeakPolarHBondContact O-CB 3.36Å; D82-A84 PolarHBondContact O-N 2.62Å; D82-A84 VanDerWaalsContact O-N 3.13Å; A84-Y86 HydrophobicContact CB-CD2 4.37Å; A84-Y86 HydrophobicContact CB-CE2 3.85Å; A84-Y86 WeakPolarHBondContact O-CD2 3.28Å; A84-V107 PolarHBondContact N-O 2.78Å; A84-V107 PolarHBondContact O-N 3.46Å
85	M	91.3	Very high	83.7	Confident	44 Å²	44	46.6 Å²	46.6	22%	0.217	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	127.2	159	-68.5	-63	-56.4	0	0	109.2	R31 Q32 Y87 T106	R31-M85 CarbonylContact C-O 3.59Å; R31-M85 VanDerWaalsContact CA-O 3.22Å; R31-M85 WeakPolarHBondContact CA-O 3.37Å; Q32-M85 HydrophobicContact CB-CB 4.26Å; Q32-M85 PolarHBondContact N-O 2.88Å; Q32-M85 PolarHBondContact O-N 2.76Å; M85-Y87 HydrophobicContact CB-CD2 4.41Å; M85-Y87 HydrophobicContact CB-CE2 3.51Å; M85-Y87 WeakPolarHBondContact CB-OH 3.46Å; M85-Y87 HydrophobicContact CE-CE1 4.42Å; M85-T106 WeakPolarHBondContact SD-CA 3.43Å; M85-T106 WeakPolarHBondContact SD-CB 3.23Å; M85-T106 HydrophobicContact SD-CG2 3.65Å; M85-T106 PolarHBondContact SD-OG1 3.12Å
86	Y	91.6	Very high	82	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.008	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	128.9	177.1	-68.9	-97.7	0	0	0	110	L12 I30 R31 M41 L73 L75 D82 A84 G104 T105 V107	L12-Y86 HydrophobicContact CD1-CD1 3.53Å; L12-Y86 HydrophobicContact CD1-CD2 3.96Å; L12-Y86 HydrophobicContact CD1-CE1 4.15Å; L12-Y86 HydrophobicContact CD1-CG 3.41Å; L12-Y86 VanDerWaalsContact CD1-CG 3.41Å; I30-Y86 CarbonylContact O-C 3.44Å; I30-Y86 WeakPolarHBondContact O-CA 3.44Å; R31-Y86 HydrophobicContact CB-CD1 3.94Å; R31-Y86 HydrophobicContact CB-CE1 3.91Å; R31-Y86 HydrophobicContact CB-CG 4.49Å; M41-Y86 HydrophobicContact CE-CE1 4.04Å; M41-Y86 HydrophobicContact SD-CD1 3.89Å; M41-Y86 HydrophobicContact SD-CE1 3.73Å; L73-Y86 HydrophobicContact CD2-CD1 3.96Å; L73-Y86 HydrophobicContact CD2-CE1 4.21Å; L75-Y86 HydrophobicContact CD1-CE1 4.14Å; L75-Y86 HydrophobicContact CD2-CE1 4.16Å; D82-Y86 WeakPolarHBondContact O-CE2 3.47Å; D82-Y86 PolarHBondContact O-OH 2.79Å; A84-Y86 HydrophobicContact CB-CD2 4.37Å; A84-Y86 HydrophobicContact CB-CE2 3.85Å; A84-Y86 WeakPolarHBondContact O-CD2 3.28Å; Y86-G104 CarbonylContact O-C 3.53Å; Y86-G104 WeakPolarHBondContact O-CA 3.48Å; Y86-T105 PolarHBondContact N-O 3.37Å; Y86-T105 PolarHBondContact O-N 3.38Å; Y86-V107 HydrophobicContact CD2-CB 3.93Å; Y86-V107 HydrophobicContact CD2-CG2 3.64Å; Y86-V107 HydrophobicContact CE2-CB 3.76Å; Y86-V107 HydrophobicContact CE2-CG1 4.39Å; Y86-V107 HydrophobicContact CE2-CG2 3.92Å
87	Y	90.8	Very high	80.4	Confident	49 Å²	49	65 Å²	65	19%	0.192	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.2	-178.4	-54	-87.5	0	0	0	109.9	I30 Q32 L38 M85	I30-Y87 PolarHBondContact N-O 2.76Å; I30-Y87 PolarHBondContact O-N 2.79Å; Q32-Y87 HydrophobicContact CB-CE2 3.81Å; Q32-Y87 PolarHBondContact OE1-OH 2.8Å; Q32-Y87 VanDerWaalsContact OE1-OH 3.11Å; L38-Y87 HydrophobicContact CD2-CD2 4.13Å; L38-Y87 HydrophobicContact CD2-CE2 3.98Å; M85-Y87 HydrophobicContact CB-CD2 4.41Å; M85-Y87 HydrophobicContact CB-CE2 3.51Å; M85-Y87 WeakPolarHBondContact CB-OH 3.46Å; M85-Y87 HydrophobicContact CE-CE1 4.42Å
88	C	90.9	Very high	79.1	Confident	13 Å²	13	67.8 Å²	67.8	9%	0.088	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	139.6	168.6	60.9	0	0	0	0	110.5	C14 I28 W29 F71 W101	C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.28Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2.04Å; C14-C88 PolarHBondContact SG-SG 3.13Å; I28-C88 WeakPolarHBondContact O-CA 3.3Å; W29-C88 HydrophobicContact CE3-CB 4.34Å; W29-C88 HydrophobicContact CH2-CB 4.31Å; W29-C88 HydrophobicContact CZ3-CB 4.19Å; F71-C88 HydrophobicContact CE1-CB 4.43Å; F71-C88 HydrophobicContact CE2-CB 4.14Å; F71-C88 HydrophobicContact CZ-CB 3.62Å; C88-W101 PolarHBondContact O-N 3.31Å
89	A	88.9	Confident	77.9	Confident	2 Å²	2	71 Å²	71	2%	0.017	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	163.2	-179.2	0	0	0	0	0	110.8	I28 I30 D99	I28-A89 HydrophobicContact CB-CB 4.28Å; I28-A89 PolarHBondContact N-O 2.66Å; I28-A89 PolarHBondContact O-N 3.04Å; I30-A89 HydrophobicContact CD1-CB 4.11Å; A89-D99 WeakPolarHBondContact CA-O 3.28Å
90	G	86.8	Confident	76.7	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	131.6	178	0	0	0	0	0	109.7	Y26 D99 W101	Y26-G90 WeakPolarHBondContact O-CA 3.11Å; G90-D99 PolarHBondContact N-O 3.04Å; G90-D99 PolarHBondContact O-N 3.15Å; G90-W101 VanDerWaalsContact N-CD1 3.34Å
91	D	82.8	Confident	75.7	Confident	36 Å²	36	72.5 Å²	72.5	19%	0.193	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.5	174	178	12.3	0	0	0	109.3	Y25 Y26 I28 F98	Y25-D91 CarbonylContact C-O 3.41Å; Y25-D91 WeakPolarHBondContact CA-O 3.08Å; Y26-D91 HydrophobicContact CD2-CB 4.35Å; Y26-D91 WeakPolarHBondContact CD2-O 3.19Å; Y26-D91 PolarHBondContact N-O 2.93Å; Y26-D91 PolarHBondContact O-N 3.45Å; I28-D91 HydrophobicContact CD1-CB 3.85Å; D91-F98 HydrophobicContact CB-CD1 4.06Å; D91-F98 HydrophobicContact CB-CE1 3.99Å
92	R	78.4	Confident	74.7	Confident	122 Å²	122	68 Å²	68	46%	0.46	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	121.8	-177.3	-166.8	177.9	177.9	171.5	-1.5	109.7	Y25 G94 Y95	Y25-R92 HydrophobicContact CD1-CB 3.79Å; Y25-R92 HydrophobicContact CD1-CG 4.33Å; Y25-R92 HydrophobicContact CD2-CG 4.36Å; Y25-R92 HydrophobicContact CE1-CB 3.5Å; Y25-R92 HydrophobicContact CE1-CG 3.99Å; Y25-R92 HydrophobicContact CE2-CB 4.42Å; Y25-R92 HydrophobicContact CE2-CG 3.99Å; Y25-R92 HydrophobicContact CG-CB 4.38Å; R92-G94 PolarHBondContact O-N 2.89Å; R92-Y95 HydrophobicContact CG-CD2 4.21Å; R92-Y95 PolarHBondContact O-N 2.7Å
93	S	67.1	Low	73.9	Confident	63 Å²	63	74.8 Å²	74.8	44%	0.441	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	117.4	175.3	-169.7	0	0	0	0	110.7	G24	G24-S93 WeakPolarHBondContact O-CB 3.35Å; G24-S93 PolarHBondContact O-N 3.23Å
94	G	61.8	Low	73.2	Confident	72 Å²	72	73.9 Å²	73.9	74%	0.742	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.7	-2.5	-178.8	0	0	0	0	0	116.4	R92	R92-G94 PolarHBondContact O-N 2.89Å
95	Y	56.8	Low	72.8	Confident	148 Å²	148	76 Å²	76	58%	0.58	38%	0.384	S	S	*	.			trans	-128.2	129.3	175.1	-69.5	-90	0	0	0	110.3	R92 Y97	R92-Y95 HydrophobicContact CG-CD2 4.21Å; R92-Y95 PolarHBondContact O-N 2.7Å; Y95-Y97 PolarHBondContact O-N 3.48Å
96	W	54.5	Low	72.5	Confident	253 Å²	253	77.9 Å²	77.9	96%	0.958	40%	0.398	S	S	*	.			trans	-76.8	28.8	-176.9	-57.8	98.4	0	0	0	114.6
97	Y	53.3	Low	72	Confident	182 Å²	182	77.9 Å²	77.9	71%	0.714	40%	0.398	S	S	*	.			trans	-111.5	117	-176.5	-96.2	-90.2	0	0	0	110.8	Y95 D99	Y95-Y97 PolarHBondContact O-N 3.48Å; Y97-D99 PolarHBondContact O-N 2.96Å
98	F	58.8	Low	71.6	Confident	133 Å²	133	78.4 Å²	78.4	58%	0.583	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	112	165.4	-72.3	-82.3	0	0	0	108.8	I28 D91	I28-F98 HydrophobicContact CD1-CD1 3.97Å; I28-F98 HydrophobicContact CD1-CE1 3.58Å; D91-F98 HydrophobicContact CB-CD1 4.06Å; D91-F98 HydrophobicContact CB-CE1 3.99Å
99	D	62.1	Low	70.8	Confident	69 Å²	69	78 Å²	78	37%	0.369	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125.3	166.7	-70.7	-34.6	0	0	0	107	A89 G90 Y97 W101	A89-D99 WeakPolarHBondContact CA-O 3.28Å; G90-D99 PolarHBondContact N-O 3.04Å; G90-D99 PolarHBondContact O-N 3.15Å; Y97-D99 PolarHBondContact O-N 2.96Å; D99-W101 HydrophobicContact CB-CZ2 3.92Å; D99-W101 PolarHBondContact O-NE1 3.13Å
100	V	60.5	Low	69.8	Low	99 Å²	99	80 Å²	80	60%	0.6	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	110.6	173.6	179.1	0	0	0	0	107.6	G102	V100-G102 PolarHBondContact O-N 2.67Å
101	W	63	Low	68.4	Low	74 Å²	74	87.4 Å²	87.4	28%	0.28	47%	0.469	S	S	.	.			trans	-92.6	9.9	-168.3	-67.2	73.3	0	0	0	113.9	T17 F19 C88 G90 D99	T17-W101 VanDerWaalsContact O-CZ3 3.23Å; T17-W101 WeakPolarHBondContact O-CZ3 3.44Å; F19-W101 HydrophobicContact CD1-CH2 4.03Å; F19-W101 HydrophobicContact CD1-CZ3 4.44Å; F19-W101 AromaticContact CE1-CH2 2.99Å; F19-W101 HydrophobicContact CE1-CH2 2.99Å; F19-W101 AromaticContact CE1-CZ2 3.45Å; F19-W101 HydrophobicContact CE1-CZ2 3.45Å; F19-W101 VanDerWaalsContact CE1-CZ2 3.45Å; F19-W101 AromaticContact CE1-CZ3 3.68Å; F19-W101 HydrophobicContact CE1-CZ3 3.68Å; F19-W101 AromaticContact CZ-CH2 3.32Å; F19-W101 HydrophobicContact CZ-CH2 3.32Å; F19-W101 AromaticContact CZ-CZ2 3.32Å; F19-W101 HydrophobicContact CZ-CZ2 3.32Å; F19-W101 AromaticContact CZ-CZ3 3.92Å; F19-W101 HydrophobicContact CZ-CZ3 3.92Å; C88-W101 PolarHBondContact O-N 3.31Å; G90-W101 VanDerWaalsContact N-CD1 3.34Å; D99-W101 HydrophobicContact CB-CZ2 3.92Å; D99-W101 PolarHBondContact O-NE1 3.13Å
102	G	63.3	Low	67.7	Low	30 Å²	30	90 Å²	90	31%	0.309	48%	0.483	S	S	.	.	S	Bend	trans	-155.4	153.3	-178.1	0	0	0	0	0	114.7	V100 G104	V100-G102 PolarHBondContact O-N 2.67Å; G102-G104 PolarHBondContact O-N 3.42Å; G102-G104 VanDerWaalsContact O-N 3.09Å
103	T	67.9	Low	67.1	Low	143 Å²	143	88.3 Å²	88.3	88%	0.877	48%	0.484	S	S	*	.			trans	-70.9	3.2	177.2	53.8	0	0	0	0	113.9
104	G	75.8	Confident	67.1	Low	14 Å²	14	89.7 Å²	89.7	14%	0.144	49%	0.487	C	S	.	.			trans	71.4	160.2	-169.6	0	0	0	0	0	112.8	Y86 G102	Y86-G104 CarbonylContact O-C 3.53Å; Y86-G104 WeakPolarHBondContact O-CA 3.48Å; G102-G104 PolarHBondContact O-N 3.42Å; G102-G104 VanDerWaalsContact O-N 3.09Å
105	T	83.3	Confident	67.4	Low	47 Å²	47	90.7 Å²	90.7	29%	0.288	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	121.8	176.1	-70.4	0	0	0	0	109.2	P1 L12 Y86 V107	P1-T105 HydrophobicContact CB-CG2 3.22Å; P1-T105 HydrophobicContact CG-CG2 3.7Å; L12-T105 HydrophobicContact CD2-CG2 4.14Å; Y86-T105 PolarHBondContact N-O 3.37Å; Y86-T105 PolarHBondContact O-N 3.38Å; T105-V107 HydrophobicContact CG2-CG2 4.28Å
106	T	84.3	Confident	68.1	Low	84 Å²	84	87.1 Å²	87.1	52%	0.515	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	129.7	172.9	-38.1	0	0	0	0	110.1	M85	M85-T106 WeakPolarHBondContact SD-CA 3.43Å; M85-T106 WeakPolarHBondContact SD-CB 3.23Å; M85-T106 HydrophobicContact SD-CG2 3.65Å; M85-T106 PolarHBondContact SD-OG1 3.12Å
107	V	82.1	Confident	69	Low	2 Å²	2	76.1 Å²	76.1	1%	0.012	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128.5	172.2	176.6	0	0	0	0	108.1	L10 L12 T83 A84 Y86 T105 V109	L10-V107 HydrophobicContact CD1-CG1 4.3Å; L10-V107 HydrophobicContact CD1-CG2 4.45Å; L10-V107 HydrophobicContact CD2-CB 4.28Å; L10-V107 HydrophobicContact CD2-CG1 3.5Å; L10-V107 VanDerWaalsContact CD2-CG1 3.5Å; L10-V107 HydrophobicContact CD2-CG2 4.05Å; L12-V107 HydrophobicContact CD2-CG2 3.98Å; T83-V107 WeakPolarHBondContact CA-O 3.48Å; A84-V107 PolarHBondContact N-O 2.78Å; A84-V107 PolarHBondContact O-N 3.46Å; Y86-V107 HydrophobicContact CD2-CB 3.93Å; Y86-V107 HydrophobicContact CD2-CG2 3.64Å; Y86-V107 HydrophobicContact CE2-CB 3.76Å; Y86-V107 HydrophobicContact CE2-CG1 4.39Å; Y86-V107 HydrophobicContact CE2-CG2 3.92Å; T105-V107 HydrophobicContact CG2-CG2 4.28Å; V107-V109 HydrophobicContact CG1-CG2 4.36Å
108	T	80.4	Confident	70.1	Confident	61 Å²	61	68.5 Å²	68.5	37%	0.374	41%	0.412	S	S	.	.			trans	-117.1	122.5	176.3	-51.7	0	0	0	0	109.2	L3 V4 T83	L3-T108 WeakPolarHBondContact CA-O 3.38Å; L3-T108 HydrophobicContact CD1-CG2 4.02Å; V4-T108 PolarHBondContact N-O 2.88Å; T83-T108 HydrophobicContact CG2-CG2 4.33Å
109	V	74.3	Confident	71	Confident	5 Å²	5	63.5 Å²	63.5	3%	0.03	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-106.5	114.8	174.5	-175	0	0	0	0	108.2	V4 P6 V78 T79 T83 V107	V4-V109 HydrophobicContact CB-CG2 4.48Å; V4-V109 VanDerWaalsContact O-CA 3.32Å; V4-V109 WeakPolarHBondContact O-CA 3.36Å; P6-V109 HydrophobicContact CG-CG1 4.19Å; V78-V109 HydrophobicContact CB-CG2 4.27Å; V78-V109 HydrophobicContact CG2-CG1 4.01Å; V78-V109 HydrophobicContact CG2-CG2 3.99Å; T79-V109 WeakPolarHBondContact O-CB 3.14Å; T79-V109 WeakPolarHBondContact O-CG1 3.43Å; T83-V109 PolarHBondContact OG1-N 3.11Å; T83-V109 PolarHBondContact OG1-O 2.66Å; V107-V109 HydrophobicContact CG1-CG2 4.36Å
110	S	68.2	Low	71.7	Confident	42 Å²	42	63.1 Å²	63.1	29%	0.294	40%	0.401	S	S	.	.			trans	-134.9	146.4	179.8	73.9	0	0	0	0	111.6	L3 V4 P6	L3-S110 WeakPolarHBondContact CD1-OG 3.27Å; V4-S110 PolarHBondContact O-N 3.42Å; P6-S110 WeakPolarHBondContact CD-O 3.28Å
111	S	57.4	Low	72.7	Confident	156 Å²	156	59.8 Å²	59.8	100%	1.091	38%	0.383	S	S	*	.			trans	-68.8	0	172.6	-179.1	0	0	0	0	112.7

Retrieved 111 of 111 residues in 35.7 ms (Link to these results)

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