X5J5F2_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5F2, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 107 aa.

						>X5J5F2_MOUSE|X5J5F2
AELVKPGASVKFSCTASGFNIKDTYMHWVKQRPEQGLEWIGKIDPANGNTQYDPKFQGKATITADTSSNTAYLQLSSLTSEDTAVYYCAREDGMDYWGQGTSVTVSS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	A	72.6	Confident	91.3	Very high	117 Å²	117	77.6 Å²	77.6	97%	0.967	47%	0.465	S	S	*	.				0	133.3	0	0	0	0	0	0	107.7	S102	A1-S102 CarbonylContact C-O 3.57Å; A1-S102 WeakPolarHBondContact CA-O 3.21Å
2	E	83.9	Confident	91.8	Very high	84 Å²	84	71.8 Å²	71.8	39%	0.393	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.1	-178.3	-163.9	177.2	159.5	0	0	109.8	V4 V10 S102 V103 T104	E2-V4 HydrophobicContact CG-CG1 3.8Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.23Å; E2-S102 PolarHBondContact N-O 2.61Å; E2-V103 HydrophobicContact CB-CG2 4.36Å; E2-V103 WeakPolarHBondContact O-CA 3.49Å; E2-T104 PolarHBondContact O-N 2.92Å
3	L	90.7	Very high	92.2	Very high	126 Å²	126	72.2 Å²	72.2	66%	0.66	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	118.4	175	-174.1	69.8	0	0	0	108.6	T104 S106	L3-T104 WeakPolarHBondContact CA-O 3.31Å; L3-T104 HydrophobicContact CD1-CG2 3.84Å; L3-S106 WeakPolarHBondContact CD1-OG 3.31Å
4	V	93.4	Very high	92.4	Very high	13 Å²	13	68.3 Å²	68.3	8%	0.079	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	152.6	-173.9	-59.1	0	0	0	0	111.4	E2 A8 L78 V103 T104 V105 S106	E2-V4 HydrophobicContact CG-CG1 3.8Å; V4-A8 HydrophobicContact CB-CB 4.48Å; V4-L78 HydrophobicContact CB-CD1 4.43Å; V4-L78 HydrophobicContact CG2-CD1 3.71Å; V4-V103 HydrophobicContact CG2-CG1 3.76Å; V4-T104 PolarHBondContact N-O 3.27Å; V4-V105 HydrophobicContact CG2-CB 4.19Å; V4-V105 HydrophobicContact CG2-CG1 4.3Å; V4-V105 HydrophobicContact CG2-CG2 3.67Å; V4-V105 WeakPolarHBondContact O-CA 3.28Å; V4-S106 PolarHBondContact O-N 2.63Å; V4-S106 VanDerWaalsContact O-N 3.09Å
5	K	92.9	Very high	92.7	Very high	165 Å²	165	69.9 Å²	69.9	72%	0.717	43%	0.425	S	S	*	.			trans	-83	150.4	175	-65.3	-177.7	179.8	-178.4	0	110.6	A8	K5-A8 WeakPolarHBondContact O-CB 3.29Å; K5-A8 PolarHBondContact O-N 3.16Å; K5-A8 VanDerWaalsContact O-N 3.15Å
6	P	94.6	Very high	92.7	Very high	73 Å²	73	66.1 Å²	66.1	47%	0.474	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	140.9	170	-25.6	33.2	0	0	0	111.7	A8 L78 V105 S106	P6-A8 PolarHBondContact O-N 3.09Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.34Å; P6-V105 HydrophobicContact CB-CG1 4.47Å; P6-V105 HydrophobicContact CG-CG1 4.15Å; P6-S106 VanDerWaalsContact CD-O 3.23Å; P6-S106 WeakPolarHBondContact CD-O 3.39Å
7	G	93.7	Very high	92.6	Very high	52 Å²	52	68.7 Å²	68.7	54%	0.536	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	-10.4	-177	0	0	0	0	0	115	L78	G7-L78 PolarHBondContact N-O 2.76Å
8	A	94.7	Very high	92.4	Very high	33 Å²	33	69.8 Å²	69.8	27%	0.273	45%	0.452	S	S	.	.			trans	-67	166.1	174.8	0	0	0	0	0	111.9	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.48Å; K5-A8 WeakPolarHBondContact O-CB 3.29Å; K5-A8 PolarHBondContact O-N 3.16Å; K5-A8 VanDerWaalsContact O-N 3.15Å; P6-A8 PolarHBondContact O-N 3.09Å; A8-S77 PolarHBondContact O-N 3.27Å; A8-L78 WeakPolarHBondContact O-CG 3.13Å; A8-L78 PolarHBondContact O-N 2.79Å
9	S	95.6	Very high	92.2	Very high	66 Å²	66	69 Å²	69	46%	0.462	44%	0.44	S	S	.	.			trans	-114.9	145.7	169.7	-57.7	0	0	0	0	109.7	L75 S76	S9-L75 CarbonylContact C-O 3.4Å; S9-L75 WeakPolarHBondContact CA-O 3.19Å; S9-L75 WeakPolarHBondContact CB-O 3.32Å; S9-S76 WeakPolarHBondContact OG-CA 3.39Å
10	V	95.9	Very high	92.2	Very high	5 Å²	5	69.2 Å²	69.2	3%	0.03	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147.2	176.2	66.7	0	0	0	0	109.6	E2 F12 Q74 L75 L78	E2-V10 WeakPolarHBondContact OE2-CG2 3.23Å; V10-F12 HydrophobicContact CG1-CD2 4.42Å; V10-F12 HydrophobicContact CG1-CE1 4.48Å; V10-F12 HydrophobicContact CG1-CE2 3.54Å; V10-F12 HydrophobicContact CG1-CZ 3.59Å; V10-F12 HydrophobicContact CG2-CE1 4.2Å; V10-F12 HydrophobicContact CG2-CE2 4.48Å; V10-F12 HydrophobicContact CG2-CZ 4.1Å; V10-Q74 CarbonylContact O-C 3.54Å; V10-Q74 VanDerWaalsContact O-CA 3.32Å; V10-Q74 WeakPolarHBondContact O-CA 3.32Å; V10-L75 HydrophobicContact CG1-CB 4.06Å; V10-L75 PolarHBondContact N-O 2.79Å; V10-L75 PolarHBondContact O-N 3.11Å; V10-L78 HydrophobicContact CB-CD1 3.96Å; V10-L78 HydrophobicContact CG1-CD1 3.69Å; V10-L78 HydrophobicContact CG1-CD2 4.29Å
11	K	96.9	Very high	92.3	Very high	120 Å²	120	65.9 Å²	65.9	52%	0.522	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	119.1	176	-174	-179.6	178.9	-175.2	0	110	Y72 L73 Q74	K11-Y72 VanDerWaalsContact CE-CD1 3.41Å; K11-L73 CarbonylContact C-O 3.58Å; K11-L73 WeakPolarHBondContact CA-O 3.29Å; K11-Q74 HydrophobicContact CG-CB 4.47Å
12	F	96.8	Very high	93.4	Very high	8 Å²	8	64.8 Å²	64.8	4%	0.035	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	148.7	172.9	-51.8	-79.6	0	0	0	110.5	V10 W28 Y72 L73 L75 Y86 T101 V103	V10-F12 HydrophobicContact CG1-CD2 4.42Å; V10-F12 HydrophobicContact CG1-CE1 4.48Å; V10-F12 HydrophobicContact CG1-CE2 3.54Å; V10-F12 HydrophobicContact CG1-CZ 3.59Å; V10-F12 HydrophobicContact CG2-CE1 4.2Å; V10-F12 HydrophobicContact CG2-CE2 4.48Å; V10-F12 HydrophobicContact CG2-CZ 4.1Å; F12-W28 HydrophobicContact CB-CH2 3.62Å; F12-W28 HydrophobicContact CB-CZ3 3.62Å; F12-W28 HydrophobicContact CG-CZ3 4.34Å; F12-Y72 WeakPolarHBondContact O-CA 3.35Å; F12-Y72 WeakPolarHBondContact O-CB 3.23Å; F12-L73 HydrophobicContact CB-CB 4.38Å; F12-L73 HydrophobicContact CD2-CB 4.12Å; F12-L73 HydrophobicContact CD2-CD2 3.79Å; F12-L73 HydrophobicContact CD2-CG 3.97Å; F12-L73 WeakPolarHBondContact CD2-O 3.34Å; F12-L73 HydrophobicContact CE2-CD2 4.17Å; F12-L73 PolarHBondContact N-O 3.09Å; F12-L73 PolarHBondContact O-N 3.12Å; F12-L73 VanDerWaalsContact O-N 3.11Å; F12-L75 HydrophobicContact CE2-CD1 3.84Å; F12-L75 HydrophobicContact CE2-CG 4.15Å; F12-Y86 AromaticContact CE1-CD2 3.97Å; F12-Y86 HydrophobicContact CE1-CD2 3.97Å; F12-Y86 HydrophobicContact CE1-CG 4.14Å; F12-Y86 HydrophobicContact CE2-CD1 4.18Å; F12-Y86 HydrophobicContact CE2-CD2 4.15Å; F12-Y86 AromaticContact CE2-CG 3.92Å; F12-Y86 HydrophobicContact CE2-CG 3.92Å; F12-Y86 HydrophobicContact CZ-CD1 4.28Å; F12-Y86 AromaticContact CZ-CD2 3.44Å; F12-Y86 HydrophobicContact CZ-CD2 3.44Å; F12-Y86 VanDerWaalsContact CZ-CD2 3.44Å; F12-Y86 AromaticContact CZ-CE2 3.99Å; F12-Y86 HydrophobicContact CZ-CE2 3.99Å; F12-Y86 AromaticContact CZ-CG 3.61Å; F12-Y86 HydrophobicContact CZ-CG 3.61Å; F12-T101 HydrophobicContact CD1-CG2 3.94Å; F12-T101 HydrophobicContact CE1-CG2 3.88Å; F12-V103 HydrophobicContact CE1-CG2 3.45Å; F12-V103 VanDerWaalsContact CE1-CG2 3.45Å; F12-V103 HydrophobicContact CZ-CG2 3.49Å; F12-V103 VanDerWaalsContact CZ-CG2 3.49Å
13	S	96.8	Very high	93.8	Very high	77 Å²	77	66.7 Å²	66.7	54%	0.538	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	147.8	169.6	58.1	0	0	0	0	110.4	A71	S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.19Å
14	C	95.8	Very high	93.8	Very high	17 Å²	17	61.2 Å²	61.2	12%	0.115	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	103.5	175.1	178.8	0	0	0	0	108.9	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.84Å; C14-W28 HydrophobicContact CB-CZ2 3.97Å; C14-T70 CarbonylContact O-C 3.51Å; C14-T70 WeakPolarHBondContact O-CA 3.41Å; C14-A71 PolarHBondContact N-O 2.77Å; C14-A71 PolarHBondContact O-N 3.19Å; C14-C88 HydrophobicContact CB-CB 3.47Å; C14-C88 VanDerWaalsContact CB-CB 3.47Å; C14-C88 WeakPolarHBondContact CB-SG 3.37Å; C14-C88 WeakPolarHBondContact SG-CB 3.46Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.79Å
15	T	95.9	Very high	93.8	Very high	93 Å²	93	64.8 Å²	64.8	57%	0.571	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	120.9	179.7	-56.3	0	0	0	0	109.6	T70	T15-T70 WeakPolarHBondContact CB-OG1 3.46Å; T15-T70 PolarHBondContact OG1-OG1 3.23Å
16	A	92.4	Very high	94	Very high	9 Å²	9	57.1 Å²	57.1	7%	0.074	35%	0.354	C	S	.	.			trans	-72.4	136.2	175.3	0	0	0	0	0	110.2	F19 I21 N69	A16-F19 HydrophobicContact CB-CD1 4.36Å; A16-F19 HydrophobicContact CB-CD2 4.09Å; A16-F19 HydrophobicContact CB-CE1 3.79Å; A16-F19 HydrophobicContact CB-CE2 3.46Å; A16-F19 VanDerWaalsContact CB-CE2 3.46Å; A16-F19 HydrophobicContact CB-CG 4.5Å; A16-F19 HydrophobicContact CB-CZ 3.3Å; A16-I21 HydrophobicContact CB-CB 4.12Å; A16-I21 HydrophobicContact CB-CD1 4.27Å; A16-I21 HydrophobicContact CB-CG1 4.17Å; A16-N69 WeakPolarHBondContact CB-ND2 3.32Å; A16-N69 PolarHBondContact N-O 2.88Å; A16-N69 PolarHBondContact O-ND2 2.9Å
17	S	91.1	Very high	94	Very high	110 Å²	110	54.2 Å²	54.2	77%	0.769	33%	0.334	S	S	*	.			trans	-129.5	136.5	176.3	-176.4	0	0	0	0	109.3	F19	S17-F19 VanDerWaalsContact C-N 3.28Å; S17-F19 WeakPolarHBondContact O-CD1 3.41Å; S17-F19 PolarHBondContact O-N 3.33Å
18	G	89.4	Confident	94.2	Very high	89 Å²	89	52 Å²	52	92%	0.918	31%	0.31	S	S	*	.	S	Bend	trans	79.4	1.4	-178.3	0	0	0	0	0	115.5
19	F	88.8	Confident	94.3	Very high	54 Å²	54	50.6 Å²	50.6	24%	0.237	30%	0.298	C	S	.	.	S	Bend	trans	-151.6	160.4	172.7	65.7	-84	0	0	0	111	A16 S17 T24 M26 N69 R90	A16-F19 HydrophobicContact CB-CD1 4.36Å; A16-F19 HydrophobicContact CB-CD2 4.09Å; A16-F19 HydrophobicContact CB-CE1 3.79Å; A16-F19 HydrophobicContact CB-CE2 3.46Å; A16-F19 VanDerWaalsContact CB-CE2 3.46Å; A16-F19 HydrophobicContact CB-CG 4.5Å; A16-F19 HydrophobicContact CB-CZ 3.3Å; S17-F19 VanDerWaalsContact C-N 3.28Å; S17-F19 WeakPolarHBondContact O-CD1 3.41Å; S17-F19 PolarHBondContact O-N 3.33Å; F19-T24 HydrophobicContact CD2-CG2 3.89Å; F19-T24 HydrophobicContact CE2-CG2 3.59Å; F19-M26 HydrophobicContact CE2-SD 4.28Å; F19-M26 HydrophobicContact CZ-SD 4.32Å; F19-N69 PolarHBondContact O-ND2 3.24Å; F19-R90 HydrophobicContact CE2-CG 4.36Å; F19-R90 HydrophobicContact CZ-CG 4.37Å
20	N	92.9	Very high	94.3	Very high	72 Å²	72	47.5 Å²	47.5	39%	0.385	28%	0.276	S	S	.	.			trans	-86.3	124.3	172.3	175.7	4.3	0	0	0	109.4	K22 D23	N20-K22 PolarHBondContact O-N 3.01Å; N20-K22 VanDerWaalsContact O-N 3.15Å; N20-K22 PolarHBondContact OD1-N 3.11Å; N20-K22 VanDerWaalsContact OD1-N 3.1Å; N20-D23 WeakPolarHBondContact CB-OD2 3.39Å; N20-D23 PolarHBondContact O-N 2.74Å; N20-D23 VanDerWaalsContact O-N 3.08Å
21	I	93.6	Very high	94.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-63.7	-21.5	-175.1	-153.6	172	0	0	0	112.5	A16 D23 T24 M26 P45 T66 N69 A71	A16-I21 HydrophobicContact CB-CB 4.12Å; A16-I21 HydrophobicContact CB-CD1 4.27Å; A16-I21 HydrophobicContact CB-CG1 4.17Å; I21-D23 PolarHBondContact O-N 3.17Å; I21-T24 VanDerWaalsContact O-O 3.05Å; I21-M26 HydrophobicContact CD1-CG 3.89Å; I21-M26 HydrophobicContact CD1-SD 4.39Å; I21-M26 HydrophobicContact CG1-CG 3.64Å; I21-M26 HydrophobicContact CG1-SD 4.01Å; I21-P45 HydrophobicContact CG1-CB 4.45Å; I21-P45 HydrophobicContact CG1-CG 4.05Å; I21-P45 HydrophobicContact CG2-CB 4.13Å; I21-P45 WeakPolarHBondContact O-CB 3.06Å; I21-P45 WeakPolarHBondContact O-CG 3.45Å; I21-T66 HydrophobicContact CG2-CG2 4.21Å; I21-N69 WeakPolarHBondContact CB-OD1 3.19Å; I21-N69 VanDerWaalsContact CG2-OD1 3.31Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.44Å; I21-N69 PolarHBondContact N-OD1 3.03Å; I21-A71 HydrophobicContact CD1-CB 3.87Å
22	K	94.9	Very high	94	Very high	95 Å²	95	47.6 Å²	47.6	41%	0.413	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-68.2	-21.2	175.4	-73.6	-174.3	173.5	179.4	0	113.9	N20 T24 T66	N20-K22 PolarHBondContact O-N 3.01Å; N20-K22 VanDerWaalsContact O-N 3.15Å; N20-K22 PolarHBondContact OD1-N 3.11Å; N20-K22 VanDerWaalsContact OD1-N 3.1Å; K22-T24 VanDerWaalsContact C-N 3.28Å; K22-T24 PolarHBondContact O-N 2.83Å; K22-T66 HydrophobicContact CD-CG2 4.09Å; K22-T66 VanDerWaalsContact CE-CG2 3.41Å; K22-T66 WeakPolarHBondContact CE-OG1 3.26Å; K22-T66 HydrophobicContact CG-CG2 3.48Å; K22-T66 VanDerWaalsContact CG-CG2 3.48Å
23	D	92.3	Very high	93.2	Very high	124 Å²	124	51.9 Å²	51.9	66%	0.663	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-90.6	4.9	-170.7	-57.5	-26.8	0	0	0	112.4	N20 I21	N20-D23 WeakPolarHBondContact CB-OD2 3.39Å; N20-D23 PolarHBondContact O-N 2.74Å; N20-D23 VanDerWaalsContact O-N 3.08Å; I21-D23 PolarHBondContact O-N 3.17Å
24	T	91.4	Very high	92.5	Very high	10 Å²	10	58 Å²	58	6%	0.061	33%	0.325	C	S	.	.	S	Bend	trans	-152.2	159.3	-175	179.9	0	0	0	0	110.6	F19 I21 K22 M26 P45 R90	F19-T24 HydrophobicContact CD2-CG2 3.89Å; F19-T24 HydrophobicContact CE2-CG2 3.59Å; I21-T24 VanDerWaalsContact O-O 3.05Å; K22-T24 VanDerWaalsContact C-N 3.28Å; K22-T24 PolarHBondContact O-N 2.83Å; T24-M26 HydrophobicContact CG2-SD 4.34Å; T24-P45 WeakPolarHBondContact O-CD 3.38Å; T24-R90 HydrophobicContact CG2-CG 3.7Å; T24-R90 WeakPolarHBondContact OG1-CG 3.38Å
25	Y	94.1	Very high	91.9	Very high	88 Å²	88	62.3 Å²	62.3	35%	0.345	34%	0.343	S	S	.	.			trans	-81.9	150.9	165.2	-54.8	-103.4	0	0	0	111	K42 I43 D44 E91	Y25-K42 HydrophobicContact CD1-CD 4.16Å; Y25-K42 HydrophobicContact CG-CD 4.4Å; Y25-I43 VanDerWaalsContact CA-O 3.29Å; Y25-I43 WeakPolarHBondContact CA-O 3.41Å; Y25-D44 HydrophobicContact CD1-CB 3.68Å; Y25-D44 HydrophobicContact CE1-CB 3.49Å; Y25-D44 VanDerWaalsContact CE1-CB 3.49Å; Y25-E91 WeakPolarHBondContact CB-OE2 3.31Å; Y25-E91 HydrophobicContact CD2-CB 4.3Å; Y25-E91 HydrophobicContact CD2-CG 4.4Å; Y25-E91 WeakPolarHBondContact CD2-OE2 3.17Å; Y25-E91 PolarHBondContact O-N 2.93Å; Y25-E91 VanDerWaalsContact O-N 3.11Å
26	M	95.4	Very high	91.4	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.02	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	118.7	174.6	-65.7	-60.3	-58.4	0	0	109.5	F19 I21 T24 K42 I43 P45 A71 C88	F19-M26 HydrophobicContact CE2-SD 4.28Å; F19-M26 HydrophobicContact CZ-SD 4.32Å; I21-M26 HydrophobicContact CD1-CG 3.89Å; I21-M26 HydrophobicContact CD1-SD 4.39Å; I21-M26 HydrophobicContact CG1-CG 3.64Å; I21-M26 HydrophobicContact CG1-SD 4.01Å; T24-M26 HydrophobicContact CG2-SD 4.34Å; M26-K42 CarbonylContact O-C 3.54Å; M26-K42 WeakPolarHBondContact O-CA 3.34Å; M26-K42 WeakPolarHBondContact O-CB 3.35Å; M26-I43 HydrophobicContact CB-CG2 3.99Å; M26-I43 PolarHBondContact N-O 2.92Å; M26-I43 PolarHBondContact O-N 2.78Å; M26-P45 HydrophobicContact CG-CG 4.16Å; M26-A71 HydrophobicContact CB-CB 4.02Å; M26-A71 HydrophobicContact CG-CB 4.1Å; M26-C88 HydrophobicContact CE-CB 4.31Å
27	H	96.2	Very high	91.5	Very high	12 Å²	12	64.8 Å²	64.8	6%	0.056	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	148.9	178.4	-66	-110.2	0	0	0	110.6	W39 G41 K42 C88 A89 E91	H27-W39 AromaticContact CG-NE1 3.9Å; H27-W39 AromaticContact ND1-CD1 3.87Å; H27-W39 AromaticContact ND1-CE2 3.97Å; H27-W39 AromaticContact ND1-NE1 3.1Å; H27-W39 PolarHBondContact ND1-NE1 2.87Å; H27-W39 VanDerWaalsContact ND1-NE1 3.1Å; H27-G41 WeakPolarHBondContact CA-O 3.41Å; H27-K42 VanDerWaalsContact CE1-CD 3.43Å; H27-K42 WeakPolarHBondContact CE1-CD 3.23Å; H27-C88 CarbonylContact O-C 3.58Å; H27-C88 WeakPolarHBondContact O-CA 3.42Å; H27-A89 HydrophobicContact CB-CB 4.41Å; H27-A89 PolarHBondContact N-O 3.35Å; H27-A89 PolarHBondContact O-N 3.43Å; H27-E91 WeakPolarHBondContact NE2-CB 3.27Å; H27-E91 IonicContact NE2-OE2 2.88Å; H27-E91 PolarHBondContact NE2-OE2 2.86Å
28	W	97.2	Very high	91.7	Very high	5 Å²	5	61.2 Å²	61.2	2%	0.019	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.2	170.1	-72.5	95.5	0	0	0	110.4	F12 C14 I40 G41 A71 L73 Y87 C88	F12-W28 HydrophobicContact CB-CH2 3.62Å; F12-W28 HydrophobicContact CB-CZ3 3.62Å; F12-W28 HydrophobicContact CG-CZ3 4.34Å; C14-W28 HydrophobicContact CB-CH2 3.84Å; C14-W28 HydrophobicContact CB-CZ2 3.97Å; W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.33Å; W28-I40 WeakPolarHBondContact O-CB 3.46Å; W28-I40 PolarHBondContact O-N 3.21Å; W28-G41 PolarHBondContact N-O 3.48Å; W28-A71 HydrophobicContact CZ2-CB 4.45Å; W28-L73 HydrophobicContact CB-CD2 4.1Å; W28-L73 HydrophobicContact CD2-CB 3.41Å; W28-L73 VanDerWaalsContact CD2-CB 3.41Å; W28-L73 HydrophobicContact CD2-CD2 3.91Å; W28-L73 HydrophobicContact CD2-CG 4.22Å; W28-L73 VanDerWaalsContact CE2-CB 3.46Å; W28-L73 HydrophobicContact CE3-CB 3.68Å; W28-L73 HydrophobicContact CE3-CD2 3.69Å; W28-L73 HydrophobicContact CE3-CG 4.33Å; W28-L73 HydrophobicContact CG-CB 3.89Å; W28-L73 HydrophobicContact CG-CD2 4.1Å; W28-L73 HydrophobicContact CG-CG 4.39Å; W28-L73 HydrophobicContact CH2-CB 4.02Å; W28-L73 HydrophobicContact CZ2-CB 3.79Å; W28-L73 HydrophobicContact CZ3-CB 3.97Å; W28-L73 HydrophobicContact CZ3-CD2 4.39Å; W28-Y87 WeakPolarHBondContact CA-O 3.03Å; W28-C88 HydrophobicContact CD2-CB 4.38Å; W28-C88 HydrophobicContact CE3-CB 4.21Å; W28-C88 HydrophobicContact CH2-CB 4.22Å; W28-C88 HydrophobicContact CZ2-CB 4.37Å; W28-C88 HydrophobicContact CZ3-CB 4.13Å
29	V	96.2	Very high	92	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.024	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	137.3	-173	-177	0	0	0	0	109.7	L37 E38 Y86 Y87 W97	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-E38 WeakPolarHBondContact CG1-O 3.47Å; V29-Y86 CarbonylContact O-C 3.51Å; V29-Y86 WeakPolarHBondContact O-CA 3.36Å; V29-Y87 PolarHBondContact N-O 2.98Å; V29-Y87 PolarHBondContact O-N 3.39Å; V29-W97 HydrophobicContact CB-CH2 4.09Å; V29-W97 HydrophobicContact CB-CZ3 3.81Å; V29-W97 HydrophobicContact CG1-CH2 4.03Å; V29-W97 HydrophobicContact CG1-CZ3 3.96Å; V29-W97 HydrophobicContact CG2-CH2 3.79Å; V29-W97 HydrophobicContact CG2-CZ3 3.91Å
30	K	95.9	Very high	92.4	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.009	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.7	174.6	179	-179.3	-178.9	177.9	0	109.1	R32 E38 I40 F56 E81 D82 A84 Y86	K30-R32 VanDerWaalsContact NZ-NH2 3.19Å; K30-E38 HydrophobicContact CB-CB 4.33Å; K30-E38 PolarHBondContact N-O 2.79Å; K30-E38 PolarHBondContact O-N 3.09Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.12Å; K30-F56 HydrophobicContact CB-CZ 4.46Å; K30-F56 HydrophobicContact CD-CE1 3.95Å; K30-F56 HydrophobicContact CD-CZ 3.92Å; K30-E81 VanDerWaalsContact CE-O 3.31Å; K30-E81 WeakPolarHBondContact CE-O 3.31Å; K30-E81 PolarHBondContact NZ-O 2.83Å; K30-D82 IonicContact NZ-OD1 3.17Å; K30-D82 PolarHBondContact NZ-OD1 2.81Å; K30-A84 HydrophobicContact CD-CB 4.26Å; K30-A84 HydrophobicContact CG-CB 3.56Å; K30-Y86 HydrophobicContact CB-CD1 4.17Å; K30-Y86 HydrophobicContact CB-CE1 3.89Å; K30-Y86 HydrophobicContact CD-CE1 3.96Å; K30-Y86 WeakPolarHBondContact CE-OH 3.43Å; K30-Y86 HydrophobicContact CG-CD1 4.36Å; K30-Y86 HydrophobicContact CG-CE1 3.74Å
31	Q	95.3	Very high	92.6	Very high	73 Å²	73	54.7 Å²	54.7	34%	0.341	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	116.3	171.2	-170.2	-178.3	35.2	0	0	109.6	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.74Å; Q31-L37 HydrophobicContact CG-CD2 3.84Å; Q31-A84 CarbonylContact O-C 3.55Å; Q31-A84 WeakPolarHBondContact O-CA 3.27Å; Q31-A84 VanDerWaalsContact O-CB 3.23Å; Q31-A84 WeakPolarHBondContact O-CB 3.18Å; Q31-V85 PolarHBondContact N-O 3.11Å; Q31-V85 PolarHBondContact O-N 2.8Å; Q31-Y87 HydrophobicContact CB-CD2 4.27Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 PolarHBondContact OE1-OH 2.77Å
32	R	90.9	Very high	92.7	Very high	53 Å²	53	55.9 Å²	55.9	20%	0.2	28%	0.282	C	S	.	.			trans	-88.8	147.9	172.5	-78.7	174	-171.3	154.5	25.6	110.2	K30 E34 Q35 E38 E81 A84	K30-R32 VanDerWaalsContact NZ-NH2 3.19Å; R32-E34 PolarHBondContact O-N 3.08Å; R32-Q35 HydrophobicContact CB-CB 3.77Å; R32-Q35 PolarHBondContact O-N 2.99Å; R32-Q35 VanDerWaalsContact O-N 3.16Å; R32-Q35 VanDerWaalsContact O-O 3.09Å; R32-E38 IonicContact CZ-OE2 3.21Å; R32-E38 IonicContact NE-OE2 3.03Å; R32-E38 IonicContact NH1-OE2 2.92Å; R32-E38 IonicContact NH2-OE2 2.56Å; R32-E38 PolarHBondContact NH2-OE2 2.88Å; R32-E81 PolarHBondContact NE-O 3.06Å; R32-A84 HydrophobicContact CG-CB 4.07Å
33	P	81.4	Confident	92.9	Very high	98 Å²	98	51.6 Å²	51.6	64%	0.636	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	130.4	167.5	-22	32.9	0	0	0	109.4	Q35	P33-Q35 PolarHBondContact O-N 2.68Å; P33-Q35 VanDerWaalsContact O-N 3.09Å
34	E	82.1	Confident	93.1	Very high	207 Å²	207	46.6 Å²	46.6	97%	0.967	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.8	3	178.2	-48.8	-178.8	171.5	0	0	116.4	R32	R32-E34 PolarHBondContact O-N 3.08Å
35	Q	81.5	Confident	93.3	Very high	107 Å²	107	46.5 Å²	46.5	50%	0.5	24%	0.236	S	C	.	.	S	Bend	trans	-117.5	156.4	174.9	-89.1	171.4	17.2	0	0	110.5	R32 P33	R32-Q35 HydrophobicContact CB-CB 3.77Å; R32-Q35 PolarHBondContact O-N 2.99Å; R32-Q35 VanDerWaalsContact O-N 3.16Å; R32-Q35 VanDerWaalsContact O-O 3.09Å; P33-Q35 PolarHBondContact O-N 2.68Å; P33-Q35 VanDerWaalsContact O-N 3.09Å
36	G	87.3	Confident	93.4	Very high	58 Å²	58	45.2 Å²	45.2	60%	0.598	24%	0.244	S	C	*	.			trans	-66.2	179.4	178.1	0	0	0	0	0	113.1
37	L	93	Very high	93.5	Very high	96 Å²	96	49.4 Å²	49.4	50%	0.503	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	126.9	172.4	-63.5	174.5	0	0	0	110	V29 Q31 W97	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; Q31-L37 HydrophobicContact CB-CD2 3.74Å; Q31-L37 HydrophobicContact CG-CD2 3.84Å; L37-W97 HydrophobicContact CD1-CH2 3.85Å; L37-W97 HydrophobicContact CD1-CZ2 4.43Å; L37-W97 HydrophobicContact CD1-CZ3 4.4Å
38	E	95.3	Very high	93.4	Very high	34 Å²	34	50.9 Å²	50.9	16%	0.159	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	116.9	171.6	-60.8	-167.7	96.5	0	0	109	V29 K30 R32 K55 F56	V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-E38 WeakPolarHBondContact CG1-O 3.47Å; K30-E38 HydrophobicContact CB-CB 4.33Å; K30-E38 PolarHBondContact N-O 2.79Å; K30-E38 PolarHBondContact O-N 3.09Å; R32-E38 IonicContact CZ-OE2 3.21Å; R32-E38 IonicContact NE-OE2 3.03Å; R32-E38 IonicContact NH1-OE2 2.92Å; R32-E38 IonicContact NH2-OE2 2.56Å; R32-E38 PolarHBondContact NH2-OE2 2.88Å; E38-K55 IonicContact OE1-NZ 3.29Å; E38-K55 PolarHBondContact OE1-NZ 2.9Å; E38-F56 HydrophobicContact CB-CE2 4.41Å; E38-F56 HydrophobicContact CB-CZ 4.35Å
39	W	95.8	Very high	93.4	Very high	79 Å²	79	55.8 Å²	55.8	30%	0.299	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	129.7	173.7	-178.3	70.6	0	0	0	110	H27 G41 K42 Q51 D53	H27-W39 AromaticContact CG-NE1 3.9Å; H27-W39 AromaticContact ND1-CD1 3.87Å; H27-W39 AromaticContact ND1-CE2 3.97Å; H27-W39 AromaticContact ND1-NE1 3.1Å; H27-W39 PolarHBondContact ND1-NE1 2.87Å; H27-W39 VanDerWaalsContact ND1-NE1 3.1Å; W39-G41 VanDerWaalsContact CE2-C 3.45Å; W39-G41 PolarHBondContact NE1-O 2.56Å; W39-G41 VanDerWaalsContact NE1-O 3.11Å; W39-K42 HydrophobicContact CZ2-CB 3.97Å; W39-K42 HydrophobicContact CZ2-CD 4.35Å; W39-K42 HydrophobicContact CZ2-CG 3.98Å; W39-Q51 HydrophobicContact CH2-CB 4.13Å; W39-D53 HydrophobicContact CE3-CB 3.92Å; W39-D53 HydrophobicContact CZ3-CB 4.21Å; W39-D53 VanDerWaalsContact O-CB 3.27Å; W39-D53 WeakPolarHBondContact O-CB 3.4Å
40	I	97.4	Very high	93.5	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-45.7	-178.8	-58.9	176.6	0	0	0	110.1	W28 K30 Y52 D53 F56 A60 L73 Y86	W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.33Å; W28-I40 WeakPolarHBondContact O-CB 3.46Å; W28-I40 PolarHBondContact O-N 3.21Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.12Å; I40-Y52 WeakPolarHBondContact O-CA 3.46Å; I40-D53 PolarHBondContact O-N 3.08Å; I40-F56 HydrophobicContact CB-CD2 4.35Å; I40-F56 HydrophobicContact CB-CG 4.29Å; I40-F56 HydrophobicContact CG1-CD1 4.21Å; I40-F56 HydrophobicContact CG1-CD2 4.36Å; I40-F56 HydrophobicContact CG1-CE1 4.04Å; I40-F56 HydrophobicContact CG1-CE2 4.19Å; I40-F56 HydrophobicContact CG1-CG 4.36Å; I40-F56 HydrophobicContact CG1-CZ 4.02Å; I40-F56 HydrophobicContact CG2-CB 3.86Å; I40-F56 HydrophobicContact CG2-CD1 4.02Å; I40-F56 HydrophobicContact CG2-CD2 4.34Å; I40-F56 HydrophobicContact CG2-CG 3.82Å; I40-A60 HydrophobicContact CG2-CB 3.76Å; I40-L73 HydrophobicContact CD1-CD2 3.71Å; I40-L73 HydrophobicContact CG2-CD1 4.14Å; I40-Y86 HydrophobicContact CD1-CD1 3.79Å; I40-Y86 HydrophobicContact CD1-CE1 3.97Å
41	G	97.3	Very high	93.6	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.9	178.3	-173	0	0	0	0	0	112.5	H27 W28 W39 Q51	H27-G41 WeakPolarHBondContact CA-O 3.41Å; W28-G41 PolarHBondContact N-O 3.48Å; W39-G41 VanDerWaalsContact CE2-C 3.45Å; W39-G41 PolarHBondContact NE1-O 2.56Å; W39-G41 VanDerWaalsContact NE1-O 3.11Å; G41-Q51 CarbonylContact C-O 3.59Å; G41-Q51 WeakPolarHBondContact CA-O 3.42Å
42	K	96.8	Very high	93.7	Very high	25 Å²	25	62.9 Å²	62.9	11%	0.109	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	159.6	172.6	74.6	-177.2	-170.4	165.4	0	111.8	Y25 M26 H27 W39 T50 Q51 E91	Y25-K42 HydrophobicContact CD1-CD 4.16Å; Y25-K42 HydrophobicContact CG-CD 4.4Å; M26-K42 CarbonylContact O-C 3.54Å; M26-K42 WeakPolarHBondContact O-CA 3.34Å; M26-K42 WeakPolarHBondContact O-CB 3.35Å; H27-K42 VanDerWaalsContact CE1-CD 3.43Å; H27-K42 WeakPolarHBondContact CE1-CD 3.23Å; W39-K42 HydrophobicContact CZ2-CB 3.97Å; W39-K42 HydrophobicContact CZ2-CD 4.35Å; W39-K42 HydrophobicContact CZ2-CG 3.98Å; K42-T50 VanDerWaalsContact O-CA 3.31Å; K42-T50 WeakPolarHBondContact O-CA 3.43Å; K42-Q51 HydrophobicContact CG-CB 4.28Å; K42-Q51 PolarHBondContact N-O 3.43Å; K42-Q51 PolarHBondContact O-N 2.78Å; K42-E91 VanDerWaalsContact NZ-CD 3.3Å; K42-E91 IonicContact NZ-OE1 3.27Å; K42-E91 PolarHBondContact NZ-OE1 3.47Å; K42-E91 IonicContact NZ-OE2 2.72Å; K42-E91 PolarHBondContact NZ-OE2 3.27Å
43	I	97.6	Very high	94	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.021	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	141	169.9	-173.9	164.2	0	0	0	110.3	Y25 M26 P45 N49 T50 I62 A64	Y25-I43 VanDerWaalsContact CA-O 3.29Å; Y25-I43 WeakPolarHBondContact CA-O 3.41Å; M26-I43 HydrophobicContact CB-CG2 3.99Å; M26-I43 PolarHBondContact N-O 2.92Å; M26-I43 PolarHBondContact O-N 2.78Å; I43-P45 HydrophobicContact CG2-CG 4.37Å; I43-P45 WeakPolarHBondContact O-CD 3.49Å; I43-N49 CarbonylContact C-O 3.59Å; I43-N49 WeakPolarHBondContact CA-O 3.4Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.91Å; I43-T50 HydrophobicContact CG1-CG2 3.83Å; I43-I62 HydrophobicContact CB-CG2 3.59Å; I43-I62 HydrophobicContact CD1-CG2 4.34Å; I43-I62 HydrophobicContact CG2-CG2 3.53Å; I43-A64 HydrophobicContact CD1-CB 3.95Å
44	D	97.1	Very high	94.7	Very high	19 Å²	19	62.5 Å²	62.5	10%	0.102	35%	0.348	C	S	.	.			trans	-88.3	105	160.2	-174.8	-24.5	0	0	0	108.7	Y25 A46 N47 G48 N49	Y25-D44 HydrophobicContact CD1-CB 3.68Å; Y25-D44 HydrophobicContact CE1-CB 3.49Å; Y25-D44 VanDerWaalsContact CE1-CB 3.49Å; D44-A46 PolarHBondContact O-N 2.91Å; D44-A46 VanDerWaalsContact OD1-CB 3.24Å; D44-A46 WeakPolarHBondContact OD1-CB 3.39Å; D44-A46 PolarHBondContact OD1-N 2.94Å; D44-N47 VanDerWaalsContact CB-OD1 3.31Å; D44-N47 WeakPolarHBondContact CB-OD1 3.43Å; D44-N47 VanDerWaalsContact CG-OD1 3.28Å; D44-N47 PolarHBondContact O-N 2.8Å; D44-N47 PolarHBondContact OD2-ND2 3.35Å; D44-N47 PolarHBondContact OD2-OD1 2.92Å; D44-G48 VanDerWaalsContact O-CA 3.23Å; D44-G48 WeakPolarHBondContact O-CA 3.26Å; D44-G48 PolarHBondContact O-N 3.41Å; D44-N49 HydrophobicContact CB-CB 4.3Å; D44-N49 PolarHBondContact N-O 3.36Å
45	P	96.6	Very high	95.3	Very high	9 Å²	9	59.7 Å²	59.7	6%	0.058	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-14.7	-177.4	-21.7	38.8	0	0	0	113.3	I21 T24 M26 I43 A64 T66	I21-P45 HydrophobicContact CG1-CB 4.45Å; I21-P45 HydrophobicContact CG1-CG 4.05Å; I21-P45 HydrophobicContact CG2-CB 4.13Å; I21-P45 WeakPolarHBondContact O-CB 3.06Å; I21-P45 WeakPolarHBondContact O-CG 3.45Å; T24-P45 WeakPolarHBondContact O-CD 3.38Å; M26-P45 HydrophobicContact CG-CG 4.16Å; I43-P45 HydrophobicContact CG2-CG 4.37Å; I43-P45 WeakPolarHBondContact O-CD 3.49Å; P45-A64 HydrophobicContact CB-CB 3.83Å; P45-A64 HydrophobicContact CG-CB 4.18Å; P45-T66 HydrophobicContact CB-CG2 4.14Å; P45-T66 VanDerWaalsContact O-CG2 3.28Å; P45-T66 WeakPolarHBondContact O-CG2 3.34Å
46	A	96.1	Very high	95.9	Very high	61 Å²	61	55.1 Å²	55.1	50%	0.504	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-35.4	178.7	0	0	0	0	0	112.3	D44	D44-A46 PolarHBondContact O-N 2.91Å; D44-A46 VanDerWaalsContact OD1-CB 3.24Å; D44-A46 WeakPolarHBondContact OD1-CB 3.39Å; D44-A46 PolarHBondContact OD1-N 2.94Å
47	N	96.2	Very high	96.3	Very high	92 Å²	92	59 Å²	59	49%	0.492	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	-5	-176.1	59.3	37.7	0	0	0	114.2	D44 N49	D44-N47 VanDerWaalsContact CB-OD1 3.31Å; D44-N47 WeakPolarHBondContact CB-OD1 3.43Å; D44-N47 VanDerWaalsContact CG-OD1 3.28Å; D44-N47 PolarHBondContact O-N 2.8Å; D44-N47 PolarHBondContact OD2-ND2 3.35Å; D44-N47 PolarHBondContact OD2-OD1 2.92Å; N47-N49 VanDerWaalsContact C-N 3.31Å; N47-N49 VanDerWaalsContact CG-ND2 3.29Å; N47-N49 PolarHBondContact ND2-ND2 2.85Å; N47-N49 WeakPolarHBondContact OD1-CB 3.42Å; N47-N49 PolarHBondContact OD1-N 3.29Å; N47-N49 PolarHBondContact OD1-ND2 3.03Å
48	G	95.7	Very high	96.3	Very high	43 Å²	43	58 Å²	58	44%	0.443	33%	0.327	S	S	.	.			trans	79.4	6.6	178.9	0	0	0	0	0	114.8	D44 T50	D44-G48 VanDerWaalsContact O-CA 3.23Å; D44-G48 WeakPolarHBondContact O-CA 3.26Å; D44-G48 PolarHBondContact O-N 3.41Å; G48-T50 PolarHBondContact O-N 3.14Å
49	N	97	Very high	96.3	Very high	107 Å²	107	58.5 Å²	58.5	57%	0.572	33%	0.328	S	S	*	.			trans	-66.4	132.7	179.8	-73.1	-32.9	0	0	0	110.7	I43 D44 N47	I43-N49 CarbonylContact C-O 3.59Å; I43-N49 WeakPolarHBondContact CA-O 3.4Å; D44-N49 HydrophobicContact CB-CB 4.3Å; D44-N49 PolarHBondContact N-O 3.36Å; N47-N49 VanDerWaalsContact C-N 3.31Å; N47-N49 VanDerWaalsContact CG-ND2 3.29Å; N47-N49 PolarHBondContact ND2-ND2 2.85Å; N47-N49 WeakPolarHBondContact OD1-CB 3.42Å; N47-N49 PolarHBondContact OD1-N 3.29Å; N47-N49 PolarHBondContact OD1-ND2 3.03Å
50	T	97.9	Very high	96.4	Very high	53 Å²	53	55 Å²	55	33%	0.325	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	147.1	-179.1	49.5	0	0	0	0	111.3	K42 I43 G48 Y52 I62	K42-T50 VanDerWaalsContact O-CA 3.31Å; K42-T50 WeakPolarHBondContact O-CA 3.43Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.91Å; I43-T50 HydrophobicContact CG1-CG2 3.83Å; G48-T50 PolarHBondContact O-N 3.14Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.46Å; T50-I62 HydrophobicContact CG2-CB 4.23Å
51	Q	97.3	Very high	96.4	Very high	117 Å²	117	58.3 Å²	58.3	55%	0.547	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143	169.5	-64.6	179.1	0.7	0	0	108.3	W39 G41 K42	W39-Q51 HydrophobicContact CH2-CB 4.13Å; G41-Q51 CarbonylContact C-O 3.59Å; G41-Q51 WeakPolarHBondContact CA-O 3.42Å; K42-Q51 HydrophobicContact CG-CB 4.28Å; K42-Q51 PolarHBondContact N-O 3.43Å; K42-Q51 PolarHBondContact O-N 2.78Å
52	Y	98	Very high	96.5	Very high	59 Å²	59	58.6 Å²	58.6	23%	0.231	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	149.6	-176.8	-61.1	-88.3	0	0	0	109.9	I40 T50 A60 I62	I40-Y52 WeakPolarHBondContact O-CA 3.46Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.46Å; Y52-A60 HydrophobicContact CD1-CB 4.26Å; Y52-A60 HydrophobicContact CE1-CB 4.2Å; Y52-A60 WeakPolarHBondContact CE1-O 3.36Å; Y52-I62 HydrophobicContact CD1-CD1 4.09Å; Y52-I62 HydrophobicContact CE1-CB 4.29Å; Y52-I62 HydrophobicContact CE1-CD1 3.69Å; Y52-I62 HydrophobicContact CE1-CG1 3.79Å; Y52-I62 PolarHBondContact OH-N 3.11Å; Y52-I62 VanDerWaalsContact OH-N 3.09Å
53	D	97	Very high	96.6	Very high	42 Å²	42	60.4 Å²	60.4	23%	0.225	35%	0.352	C	S	.	.			trans	-69.1	135.4	158.1	-179	-66.8	0	0	0	108.7	W39 I40 K55 F56 Q57	W39-D53 HydrophobicContact CE3-CB 3.92Å; W39-D53 HydrophobicContact CZ3-CB 4.21Å; W39-D53 VanDerWaalsContact O-CB 3.27Å; W39-D53 WeakPolarHBondContact O-CB 3.4Å; I40-D53 PolarHBondContact O-N 3.08Å; D53-K55 PolarHBondContact O-N 2.86Å; D53-K55 VanDerWaalsContact OD1-CB 3.23Å; D53-K55 WeakPolarHBondContact OD1-CB 3.34Å; D53-K55 VanDerWaalsContact OD1-CG 3.29Å; D53-K55 WeakPolarHBondContact OD1-CG 3.14Å; D53-K55 PolarHBondContact OD1-N 2.85Å; D53-F56 HydrophobicContact CB-CD2 4.07Å; D53-F56 PolarHBondContact O-N 3.44Å; D53-Q57 PolarHBondContact O-N 2.89Å
54	P	96.5	Very high	96.6	Very high	101 Å²	101	61.9 Å²	61.9	66%	0.656	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-29	-178.2	-29.1	35.8	0	0	0	114.8	F56 Q57	P54-F56 PolarHBondContact O-N 3.44Å; P54-Q57 PolarHBondContact O-N 2.89Å
55	K	93.7	Very high	96.6	Very high	148 Å²	148	63.7 Å²	63.7	64%	0.643	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-28.7	177.3	-65.8	172.4	176.1	176.2	0	113.3	E38 D53	E38-K55 IonicContact OE1-NZ 3.29Å; E38-K55 PolarHBondContact OE1-NZ 2.9Å; D53-K55 PolarHBondContact O-N 2.86Å; D53-K55 VanDerWaalsContact OD1-CB 3.23Å; D53-K55 WeakPolarHBondContact OD1-CB 3.34Å; D53-K55 VanDerWaalsContact OD1-CG 3.29Å; D53-K55 WeakPolarHBondContact OD1-CG 3.14Å; D53-K55 PolarHBondContact OD1-N 2.85Å
56	F	95.6	Very high	96.5	Very high	10 Å²	10	65.5 Å²	65.5	4%	0.044	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-5.3	-176.9	-63.5	-86	0	0	0	112.5	K30 E38 I40 D53 P54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.46Å; K30-F56 HydrophobicContact CD-CE1 3.95Å; K30-F56 HydrophobicContact CD-CZ 3.92Å; E38-F56 HydrophobicContact CB-CE2 4.41Å; E38-F56 HydrophobicContact CB-CZ 4.35Å; I40-F56 HydrophobicContact CB-CD2 4.35Å; I40-F56 HydrophobicContact CB-CG 4.29Å; I40-F56 HydrophobicContact CG1-CD1 4.21Å; I40-F56 HydrophobicContact CG1-CD2 4.36Å; I40-F56 HydrophobicContact CG1-CE1 4.04Å; I40-F56 HydrophobicContact CG1-CE2 4.19Å; I40-F56 HydrophobicContact CG1-CG 4.36Å; I40-F56 HydrophobicContact CG1-CZ 4.02Å; I40-F56 HydrophobicContact CG2-CB 3.86Å; I40-F56 HydrophobicContact CG2-CD1 4.02Å; I40-F56 HydrophobicContact CG2-CD2 4.34Å; I40-F56 HydrophobicContact CG2-CG 3.82Å; D53-F56 HydrophobicContact CB-CD2 4.07Å; D53-F56 PolarHBondContact O-N 3.44Å; P54-F56 PolarHBondContact O-N 3.44Å; F56-G58 PolarHBondContact O-N 2.8Å; F56-K59 PolarHBondContact O-N 3.49Å; F56-A60 HydrophobicContact CB-CB 4.07Å; F56-A60 PolarHBondContact O-N 3.1Å
57	Q	94.4	Very high	96.5	Very high	140 Å²	140	67.8 Å²	67.8	65%	0.654	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	127.5	177.4	-167.6	166.6	-5	0	0	110.5	D53 P54 K59	D53-Q57 PolarHBondContact O-N 2.89Å; P54-Q57 PolarHBondContact O-N 2.89Å; Q57-K59 PolarHBondContact O-N 2.81Å
58	G	92.9	Very high	96.6	Very high	76 Å²	76	65.6 Å²	65.6	78%	0.784	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	-16.6	-175.6	0	0	0	0	0	115	F56	F56-G58 PolarHBondContact O-N 2.8Å
59	K	95.7	Very high	96.6	Very high	43 Å²	43	65.1 Å²	65.1	19%	0.187	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-37.8	174.6	-169.1	173.5	-169.7	172.7	0	112.8	F56 Q57 L75 S76 D82	F56-K59 PolarHBondContact O-N 3.49Å; Q57-K59 PolarHBondContact O-N 2.81Å; K59-L75 WeakPolarHBondContact O-CA 3.49Å; K59-S76 WeakPolarHBondContact CE-O 2.97Å; K59-S76 WeakPolarHBondContact CG-O 3.47Å; K59-S76 PolarHBondContact O-N 3.03Å; K59-S76 PolarHBondContact O-OG 3.29Å; K59-D82 WeakPolarHBondContact CE-OD2 3.36Å; K59-D82 IonicContact NZ-OD1 2.77Å; K59-D82 PolarHBondContact NZ-OD1 2.96Å; K59-D82 IonicContact NZ-OD2 3.43Å; K59-D82 PolarHBondContact NZ-OD2 3.09Å
60	A	97.7	Very high	96.6	Very high	5 Å²	5	60.3 Å²	60.3	4%	0.041	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	137.7	179.4	0	0	0	0	0	111.6	I40 Y52 F56 L73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.76Å; Y52-A60 HydrophobicContact CD1-CB 4.26Å; Y52-A60 HydrophobicContact CE1-CB 4.2Å; Y52-A60 WeakPolarHBondContact CE1-O 3.36Å; F56-A60 HydrophobicContact CB-CB 4.07Å; F56-A60 PolarHBondContact O-N 3.1Å; A60-L73 HydrophobicContact CB-CD1 3.87Å; A60-Q74 CarbonylContact C-O 3.39Å; A60-Q74 WeakPolarHBondContact CA-O 3.39Å; A60-L75 HydrophobicContact CB-CD2 3.78Å
61	T	98.3	Very high	96.6	Very high	71 Å²	71	57.8 Å²	57.8	44%	0.436	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	116.8	168	-58.1	0	0	0	0	108.2	T63 Q74	T61-T63 HydrophobicContact CG2-CG2 4.21Å; T61-Q74 PolarHBondContact N-O 2.02Å; T61-Q74 PolarHBondContact O-N 2.85Å
62	I	98.4	Very high	96.6	Very high	6 Å²	6	54.6 Å²	54.6	3%	0.031	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.8	177.5	-58.8	165.7	0	0	0	109	I43 T50 Y52 Y72 L73	I43-I62 HydrophobicContact CB-CG2 3.59Å; I43-I62 HydrophobicContact CD1-CG2 4.34Å; I43-I62 HydrophobicContact CG2-CG2 3.53Å; T50-I62 HydrophobicContact CG2-CB 4.23Å; Y52-I62 HydrophobicContact CD1-CD1 4.09Å; Y52-I62 HydrophobicContact CE1-CB 4.29Å; Y52-I62 HydrophobicContact CE1-CD1 3.69Å; Y52-I62 HydrophobicContact CE1-CG1 3.79Å; Y52-I62 PolarHBondContact OH-N 3.11Å; Y52-I62 VanDerWaalsContact OH-N 3.09Å; I62-Y72 WeakPolarHBondContact CA-O 2.81Å; I62-L73 HydrophobicContact CG1-CD1 3.79Å
63	T	98.1	Very high	96.7	Very high	63 Å²	63	51.8 Å²	51.8	39%	0.387	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	167.2	175.6	62.9	0	0	0	0	110.9	T61 A71 Y72	T61-T63 HydrophobicContact CG2-CG2 4.21Å; T63-A71 CarbonylContact O-C 3.6Å; T63-Y72 PolarHBondContact N-O 3.19Å; T63-Y72 PolarHBondContact O-N 3.27Å
64	A	97.7	Very high	96.7	Very high	34 Å²	34	53.9 Å²	53.9	28%	0.281	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	142.7	173.5	0	0	0	0	0	110.4	I43 P45 T70	I43-A64 HydrophobicContact CD1-CB 3.95Å; P45-A64 HydrophobicContact CB-CB 3.83Å; P45-A64 HydrophobicContact CG-CB 4.18Å; A64-T70 WeakPolarHBondContact CA-O 3.48Å
65	D	97.2	Very high	96.7	Very high	57 Å²	57	49 Å²	49	31%	0.305	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	110.2	168	174.8	10.7	0	0	0	108.5	S67 S68 N69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 2.99Å; D65-S67 PolarHBondContact OD1-N 2.87Å; D65-S67 PolarHBondContact OD1-OG 2.99Å; D65-S67 PolarHBondContact OD2-OG 3.28Å; D65-S68 WeakPolarHBondContact CB-OG 3.01Å; D65-S68 WeakPolarHBondContact OD2-CB 3.11Å; D65-S68 PolarHBondContact OD2-OG 3.35Å; D65-N69 PolarHBondContact O-N 2.83Å; D65-N69 VanDerWaalsContact O-N 3.08Å; D65-T70 PolarHBondContact N-O 3.27Å; D65-T70 PolarHBondContact O-N 3.04Å; D65-Y72 HydrophobicContact CB-CE2 3.95Å
66	T	96.2	Very high	96.9	Very high	47 Å²	47	43.8 Å²	43.8	29%	0.288	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-17.1	-176	63.4	0	0	0	0	113	I21 K22 P45	I21-T66 HydrophobicContact CG2-CG2 4.21Å; K22-T66 HydrophobicContact CD-CG2 4.09Å; K22-T66 VanDerWaalsContact CE-CG2 3.41Å; K22-T66 WeakPolarHBondContact CE-OG1 3.26Å; K22-T66 HydrophobicContact CG-CG2 3.48Å; K22-T66 VanDerWaalsContact CG-CG2 3.48Å; P45-T66 HydrophobicContact CB-CG2 4.14Å; P45-T66 VanDerWaalsContact O-CG2 3.28Å; P45-T66 WeakPolarHBondContact O-CG2 3.34Å
67	S	95.8	Very high	96.8	Very high	109 Å²	109	47 Å²	47	76%	0.762	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-37.2	174.3	72.4	0	0	0	0	111.5	D65	D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 2.99Å; D65-S67 PolarHBondContact OD1-N 2.87Å; D65-S67 PolarHBondContact OD1-OG 2.99Å; D65-S67 PolarHBondContact OD2-OG 3.28Å
68	S	96.9	Very high	96.9	Very high	46 Å²	46	40.4 Å²	40.4	32%	0.322	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	7.2	174.9	62.7	0	0	0	0	113.6	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.01Å; D65-S68 WeakPolarHBondContact OD2-CB 3.11Å; D65-S68 PolarHBondContact OD2-OG 3.35Å; S68-T70 PolarHBondContact O-N 3.32Å; S68-T70 PolarHBondContact O-OG1 3.15Å
69	N	96.3	Very high	96.9	Very high	34 Å²	34	39.4 Å²	39.4	18%	0.182	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	38.8	-179.8	-150.6	41.9	0	0	0	113.2	A16 F19 I21 D65	A16-N69 WeakPolarHBondContact CB-ND2 3.32Å; A16-N69 PolarHBondContact N-O 2.88Å; A16-N69 PolarHBondContact O-ND2 2.9Å; F19-N69 PolarHBondContact O-ND2 3.24Å; I21-N69 WeakPolarHBondContact CB-OD1 3.19Å; I21-N69 VanDerWaalsContact CG2-OD1 3.31Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.44Å; I21-N69 PolarHBondContact N-OD1 3.03Å; D65-N69 PolarHBondContact O-N 2.83Å; D65-N69 VanDerWaalsContact O-N 3.08Å
70	T	97.5	Very high	96.8	Very high	6 Å²	6	41.7 Å²	41.7	4%	0.037	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	129.7	-168.2	-61.7	0	0	0	0	112	C14 T15 A64 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.51Å; C14-T70 WeakPolarHBondContact O-CA 3.41Å; T15-T70 WeakPolarHBondContact CB-OG1 3.46Å; T15-T70 PolarHBondContact OG1-OG1 3.23Å; A64-T70 WeakPolarHBondContact CA-O 3.48Å; D65-T70 PolarHBondContact N-O 3.27Å; D65-T70 PolarHBondContact O-N 3.04Å; S68-T70 PolarHBondContact O-N 3.32Å; S68-T70 PolarHBondContact O-OG1 3.15Å; T70-Y72 HydrophobicContact CG2-CD1 4.25Å; T70-Y72 HydrophobicContact CG2-CD2 4.49Å; T70-Y72 HydrophobicContact CG2-CE1 3.63Å; T70-Y72 HydrophobicContact CG2-CE2 3.87Å; T70-Y72 WeakPolarHBondContact CG2-OH 3Å
71	A	97.4	Very high	96.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	152.1	168.7	0	0	0	0	0	110.6	S13 C14 I21 M26 W28 T63	S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.19Å; C14-A71 PolarHBondContact N-O 2.77Å; C14-A71 PolarHBondContact O-N 3.19Å; I21-A71 HydrophobicContact CD1-CB 3.87Å; M26-A71 HydrophobicContact CB-CB 4.02Å; M26-A71 HydrophobicContact CG-CB 4.1Å; W28-A71 HydrophobicContact CZ2-CB 4.45Å; T63-A71 CarbonylContact O-C 3.6Å
72	Y	98.1	Very high	96.2	Very high	49 Å²	49	44.5 Å²	44.5	19%	0.192	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	146.1	179.6	-55	-85.4	0	0	0	111.3	K11 F12 I62 T63 D65 T70	K11-Y72 VanDerWaalsContact CE-CD1 3.41Å; F12-Y72 WeakPolarHBondContact O-CA 3.35Å; F12-Y72 WeakPolarHBondContact O-CB 3.23Å; I62-Y72 WeakPolarHBondContact CA-O 2.81Å; T63-Y72 PolarHBondContact N-O 3.19Å; T63-Y72 PolarHBondContact O-N 3.27Å; D65-Y72 HydrophobicContact CB-CE2 3.95Å; T70-Y72 HydrophobicContact CG2-CD1 4.25Å; T70-Y72 HydrophobicContact CG2-CD2 4.49Å; T70-Y72 HydrophobicContact CG2-CE1 3.63Å; T70-Y72 HydrophobicContact CG2-CE2 3.87Å; T70-Y72 WeakPolarHBondContact CG2-OH 3Å
73	L	98.4	Very high	96	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	125.2	167.2	168.5	70.7	0	0	0	107.8	K11 F12 W28 I40 A60 I62 L75 Y86	K11-L73 CarbonylContact C-O 3.58Å; K11-L73 WeakPolarHBondContact CA-O 3.29Å; F12-L73 HydrophobicContact CB-CB 4.38Å; F12-L73 HydrophobicContact CD2-CB 4.12Å; F12-L73 HydrophobicContact CD2-CD2 3.79Å; F12-L73 HydrophobicContact CD2-CG 3.97Å; F12-L73 WeakPolarHBondContact CD2-O 3.34Å; F12-L73 HydrophobicContact CE2-CD2 4.17Å; F12-L73 PolarHBondContact N-O 3.09Å; F12-L73 PolarHBondContact O-N 3.12Å; F12-L73 VanDerWaalsContact O-N 3.11Å; W28-L73 HydrophobicContact CB-CD2 4.1Å; W28-L73 HydrophobicContact CD2-CB 3.41Å; W28-L73 VanDerWaalsContact CD2-CB 3.41Å; W28-L73 HydrophobicContact CD2-CD2 3.91Å; W28-L73 HydrophobicContact CD2-CG 4.22Å; W28-L73 VanDerWaalsContact CE2-CB 3.46Å; W28-L73 HydrophobicContact CE3-CB 3.68Å; W28-L73 HydrophobicContact CE3-CD2 3.69Å; W28-L73 HydrophobicContact CE3-CG 4.33Å; W28-L73 HydrophobicContact CG-CB 3.89Å; W28-L73 HydrophobicContact CG-CD2 4.1Å; W28-L73 HydrophobicContact CG-CG 4.39Å; W28-L73 HydrophobicContact CH2-CB 4.02Å; W28-L73 HydrophobicContact CZ2-CB 3.79Å; W28-L73 HydrophobicContact CZ3-CB 3.97Å; W28-L73 HydrophobicContact CZ3-CD2 4.39Å; I40-L73 HydrophobicContact CD1-CD2 3.71Å; I40-L73 HydrophobicContact CG2-CD1 4.14Å; A60-L73 HydrophobicContact CB-CD1 3.87Å; I62-L73 HydrophobicContact CG1-CD1 3.79Å; L73-L75 HydrophobicContact CD1-CD2 4.04Å; L73-L75 HydrophobicContact CD2-CD2 4.35Å; L73-L75 HydrophobicContact CD2-CG 4.32Å; L73-L75 HydrophobicContact CG-CD2 4.28Å; L73-L75 HydrophobicContact CG-CG 4.28Å; L73-Y86 HydrophobicContact CD2-CD1 4.28Å
74	Q	98.1	Very high	95.9	Very high	86 Å²	86	43.4 Å²	43.4	40%	0.402	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.2	169.4	-176.2	174.2	-5.6	0	0	109.2	V10 K11 A60 T61	V10-Q74 CarbonylContact O-C 3.54Å; V10-Q74 VanDerWaalsContact O-CA 3.32Å; V10-Q74 WeakPolarHBondContact O-CA 3.32Å; K11-Q74 HydrophobicContact CG-CB 4.47Å; A60-Q74 CarbonylContact C-O 3.39Å; A60-Q74 WeakPolarHBondContact CA-O 3.39Å; T61-Q74 PolarHBondContact N-O 2.02Å; T61-Q74 PolarHBondContact O-N 2.85Å
75	L	97.3	Very high	95.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.2	171.3	-62.1	178.3	0	0	0	109	S9 V10 F12 K59 A60 L73 L78 Y86	S9-L75 CarbonylContact C-O 3.4Å; S9-L75 WeakPolarHBondContact CA-O 3.19Å; S9-L75 WeakPolarHBondContact CB-O 3.32Å; V10-L75 HydrophobicContact CG1-CB 4.06Å; V10-L75 PolarHBondContact N-O 2.79Å; V10-L75 PolarHBondContact O-N 3.11Å; F12-L75 HydrophobicContact CE2-CD1 3.84Å; F12-L75 HydrophobicContact CE2-CG 4.15Å; K59-L75 WeakPolarHBondContact O-CA 3.49Å; A60-L75 HydrophobicContact CB-CD2 3.78Å; L73-L75 HydrophobicContact CD1-CD2 4.04Å; L73-L75 HydrophobicContact CD2-CD2 4.35Å; L73-L75 HydrophobicContact CD2-CG 4.32Å; L73-L75 HydrophobicContact CG-CD2 4.28Å; L73-L75 HydrophobicContact CG-CG 4.28Å; L75-L78 HydrophobicContact CB-CD2 3.78Å; L75-L78 HydrophobicContact CD1-CD2 4.18Å; L75-Y86 HydrophobicContact CD1-CD1 4.08Å; L75-Y86 HydrophobicContact CD1-CE1 3.38Å; L75-Y86 HydrophobicContact CD1-CE2 4.46Å
76	S	96.4	Very high	95.9	Very high	37 Å²	37	41 Å²	41	26%	0.259	24%	0.244	S	C	.	.			trans	-104.1	160.6	175.9	59.9	0	0	0	0	111.9	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.39Å; K59-S76 WeakPolarHBondContact CE-O 2.97Å; K59-S76 WeakPolarHBondContact CG-O 3.47Å; K59-S76 PolarHBondContact O-N 3.03Å; K59-S76 PolarHBondContact O-OG 3.29Å; S76-L78 PolarHBondContact O-N 2.9Å
77	S	95.1	Very high	95.9	Very high	78 Å²	78	40.9 Å²	40.9	55%	0.545	24%	0.239	S	C	.	.	S	Bend	trans	50	52.4	171.4	-59.7	0	0	0	0	113.2	A8	A8-S77 PolarHBondContact O-N 3.27Å
78	L	94.8	Very high	95.8	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	21%	0.206	C	C	.	.			trans	-61.4	140.8	-175.4	-67.8	169.8	0	0	0	112.2	V4 P6 G7 A8 V10 L75 S76 D82 V105	V4-L78 HydrophobicContact CB-CD1 4.43Å; V4-L78 HydrophobicContact CG2-CD1 3.71Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.34Å; G7-L78 PolarHBondContact N-O 2.76Å; A8-L78 WeakPolarHBondContact O-CG 3.13Å; A8-L78 PolarHBondContact O-N 2.79Å; V10-L78 HydrophobicContact CB-CD1 3.96Å; V10-L78 HydrophobicContact CG1-CD1 3.69Å; V10-L78 HydrophobicContact CG1-CD2 4.29Å; L75-L78 HydrophobicContact CB-CD2 3.78Å; L75-L78 HydrophobicContact CD1-CD2 4.18Å; S76-L78 PolarHBondContact O-N 2.9Å; L78-D82 VanDerWaalsContact CA-OD2 3.27Å; L78-D82 WeakPolarHBondContact CA-OD2 3.35Å; L78-D82 HydrophobicContact CD2-CB 3.64Å; L78-V105 HydrophobicContact CB-CG1 4.41Å; L78-V105 HydrophobicContact CB-CG2 4.11Å
79	T	94.2	Very high	95.7	Very high	55 Å²	55	34.1 Å²	34.1	34%	0.337	19%	0.191	S	C	.	.			trans	-121.9	170.4	175.8	66.4	0	0	0	0	110.1	E81 D82 V105	T79-E81 PolarHBondContact O-N 2.9Å; T79-E81 VanDerWaalsContact O-N 3.11Å; T79-D82 PolarHBondContact N-OD2 2.86Å; T79-D82 WeakPolarHBondContact O-CB 3.44Å; T79-D82 PolarHBondContact O-N 2.95Å; T79-D82 PolarHBondContact OG1-OD2 3.45Å; T79-V105 WeakPolarHBondContact O-CB 3.38Å; T79-V105 VanDerWaalsContact O-CG2 3.26Å; T79-V105 WeakPolarHBondContact O-CG2 3.05Å
80	S	92.2	Very high	95.4	Very high	91 Å²	91	34.9 Å²	34.9	64%	0.636	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-53.6	-31.8	175.9	50.4	0	0	0	0	112.9	D82 T83	S80-D82 PolarHBondContact O-N 2.72Å; S80-T83 VanDerWaalsContact O-CB 3.31Å; S80-T83 WeakPolarHBondContact O-CB 3.37Å; S80-T83 PolarHBondContact O-N 2.95Å; S80-T83 VanDerWaalsContact O-N 3.12Å; S80-T83 PolarHBondContact O-OG1 2.96Å; S80-T83 VanDerWaalsContact O-OG1 3.09Å
81	E	90.9	Very high	94.6	Very high	131 Å²	131	38 Å²	38	61%	0.612	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-65.8	-16.3	176.8	-59.5	-176.9	172.4	0	0	113.8	K30 R32 T79 T83	K30-E81 VanDerWaalsContact CE-O 3.31Å; K30-E81 WeakPolarHBondContact CE-O 3.31Å; K30-E81 PolarHBondContact NZ-O 2.83Å; R32-E81 PolarHBondContact NE-O 3.06Å; T79-E81 PolarHBondContact O-N 2.9Å; T79-E81 VanDerWaalsContact O-N 3.11Å; E81-T83 VanDerWaalsContact C-N 3.3Å
82	D	93.6	Very high	93.2	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-85.9	-0.9	175.2	-57.2	-48.8	0	0	0	113.9	K30 K59 L78 T79 S80 A84 Y86 V105	K30-D82 IonicContact NZ-OD1 3.17Å; K30-D82 PolarHBondContact NZ-OD1 2.81Å; K59-D82 WeakPolarHBondContact CE-OD2 3.36Å; K59-D82 IonicContact NZ-OD1 2.77Å; K59-D82 PolarHBondContact NZ-OD1 2.96Å; K59-D82 IonicContact NZ-OD2 3.43Å; K59-D82 PolarHBondContact NZ-OD2 3.09Å; L78-D82 VanDerWaalsContact CA-OD2 3.27Å; L78-D82 WeakPolarHBondContact CA-OD2 3.35Å; L78-D82 HydrophobicContact CD2-CB 3.64Å; T79-D82 PolarHBondContact N-OD2 2.86Å; T79-D82 WeakPolarHBondContact O-CB 3.44Å; T79-D82 PolarHBondContact O-N 2.95Å; T79-D82 PolarHBondContact OG1-OD2 3.45Å; S80-D82 PolarHBondContact O-N 2.72Å; D82-A84 PolarHBondContact O-N 2.86Å; D82-A84 VanDerWaalsContact O-N 3.08Å; D82-Y86 WeakPolarHBondContact CA-OH 3.5Å; D82-Y86 WeakPolarHBondContact CB-OH 3.22Å; D82-Y86 WeakPolarHBondContact O-CE2 3.34Å; D82-Y86 PolarHBondContact O-OH 2.86Å; D82-V105 HydrophobicContact CB-CG2 4.17Å
83	T	94.9	Very high	91.2	Very high	43 Å²	43	42.5 Å²	42.5	26%	0.264	25%	0.247	S	C	.	.			trans	-64.6	108.8	169.6	-62.1	0	0	0	0	109.5	S80 E81 V103 T104 V105	S80-T83 VanDerWaalsContact O-CB 3.31Å; S80-T83 WeakPolarHBondContact O-CB 3.37Å; S80-T83 PolarHBondContact O-N 2.95Å; S80-T83 VanDerWaalsContact O-N 3.12Å; S80-T83 PolarHBondContact O-OG1 2.96Å; S80-T83 VanDerWaalsContact O-OG1 3.09Å; E81-T83 VanDerWaalsContact C-N 3.3Å; T83-V103 VanDerWaalsContact CA-O 3.32Å; T83-V103 WeakPolarHBondContact CA-O 3.39Å; T83-T104 HydrophobicContact CG2-CG2 4.31Å; T83-V105 PolarHBondContact OG1-N 3.42Å
84	A	95.8	Very high	89.6	Confident	3 Å²	3	46.3 Å²	46.3	3%	0.025	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	173	-169.8	0	0	0	0	0	111	K30 Q31 R32 D82 Y86 V103	K30-A84 HydrophobicContact CD-CB 4.26Å; K30-A84 HydrophobicContact CG-CB 3.56Å; Q31-A84 CarbonylContact O-C 3.55Å; Q31-A84 WeakPolarHBondContact O-CA 3.27Å; Q31-A84 VanDerWaalsContact O-CB 3.23Å; Q31-A84 WeakPolarHBondContact O-CB 3.18Å; R32-A84 HydrophobicContact CG-CB 4.07Å; D82-A84 PolarHBondContact O-N 2.86Å; D82-A84 VanDerWaalsContact O-N 3.08Å; A84-Y86 HydrophobicContact CB-CD2 4.47Å; A84-Y86 HydrophobicContact CB-CE2 3.84Å; A84-V103 PolarHBondContact N-O 2.8Å; A84-V103 PolarHBondContact O-N 2.86Å
85	V	96.5	Very high	88.2	Confident	38 Å²	38	48.1 Å²	48.1	23%	0.23	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	130.9	162.4	-169.1	0	0	0	0	108.9	Q31 Y87	Q31-V85 PolarHBondContact N-O 3.11Å; Q31-V85 PolarHBondContact O-N 2.8Å; V85-Y87 HydrophobicContact CB-CE2 3.68Å; V85-Y87 HydrophobicContact CG1-CD2 4.25Å; V85-Y87 HydrophobicContact CG1-CE1 4.02Å; V85-Y87 HydrophobicContact CG1-CE2 3.5Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.2Å
86	Y	96.9	Very high	87.5	Confident	3 Å²	3	55.2 Å²	55.2	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.1	-179.5	-66.8	-91.2	0	0	0	110.2	F12 V29 K30 I40 L73 L75 D82 A84 G100 T101 V103	F12-Y86 AromaticContact CE1-CD2 3.97Å; F12-Y86 HydrophobicContact CE1-CD2 3.97Å; F12-Y86 HydrophobicContact CE1-CG 4.14Å; F12-Y86 HydrophobicContact CE2-CD1 4.18Å; F12-Y86 HydrophobicContact CE2-CD2 4.15Å; F12-Y86 AromaticContact CE2-CG 3.92Å; F12-Y86 HydrophobicContact CE2-CG 3.92Å; F12-Y86 HydrophobicContact CZ-CD1 4.28Å; F12-Y86 AromaticContact CZ-CD2 3.44Å; F12-Y86 HydrophobicContact CZ-CD2 3.44Å; F12-Y86 VanDerWaalsContact CZ-CD2 3.44Å; F12-Y86 AromaticContact CZ-CE2 3.99Å; F12-Y86 HydrophobicContact CZ-CE2 3.99Å; F12-Y86 AromaticContact CZ-CG 3.61Å; F12-Y86 HydrophobicContact CZ-CG 3.61Å; V29-Y86 CarbonylContact O-C 3.51Å; V29-Y86 WeakPolarHBondContact O-CA 3.36Å; K30-Y86 HydrophobicContact CB-CD1 4.17Å; K30-Y86 HydrophobicContact CB-CE1 3.89Å; K30-Y86 HydrophobicContact CD-CE1 3.96Å; K30-Y86 WeakPolarHBondContact CE-OH 3.43Å; K30-Y86 HydrophobicContact CG-CD1 4.36Å; K30-Y86 HydrophobicContact CG-CE1 3.74Å; I40-Y86 HydrophobicContact CD1-CD1 3.79Å; I40-Y86 HydrophobicContact CD1-CE1 3.97Å; L73-Y86 HydrophobicContact CD2-CD1 4.28Å; L75-Y86 HydrophobicContact CD1-CD1 4.08Å; L75-Y86 HydrophobicContact CD1-CE1 3.38Å; L75-Y86 HydrophobicContact CD1-CE2 4.46Å; D82-Y86 WeakPolarHBondContact CA-OH 3.5Å; D82-Y86 WeakPolarHBondContact CB-OH 3.22Å; D82-Y86 WeakPolarHBondContact O-CE2 3.34Å; D82-Y86 PolarHBondContact O-OH 2.86Å; A84-Y86 HydrophobicContact CB-CD2 4.47Å; A84-Y86 HydrophobicContact CB-CE2 3.84Å; Y86-G100 CarbonylContact O-C 3.58Å; Y86-G100 VanDerWaalsContact O-CA 3.26Å; Y86-G100 WeakPolarHBondContact O-CA 3.31Å; Y86-T101 PolarHBondContact N-O 2.78Å; Y86-T101 PolarHBondContact O-N 3.45Å; Y86-V103 HydrophobicContact CD2-CB 4.34Å; Y86-V103 HydrophobicContact CD2-CG2 4.13Å; Y86-V103 HydrophobicContact CE2-CB 4.05Å; Y86-V103 HydrophobicContact CE2-CG2 4.25Å
87	Y	96	Very high	87.2	Confident	45 Å²	45	58 Å²	58	18%	0.176	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	148.6	-177.1	-61.5	-87.7	0	0	0	110.8	W28 V29 Q31 V85 W97 G98 G100	W28-Y87 WeakPolarHBondContact CA-O 3.03Å; V29-Y87 PolarHBondContact N-O 2.98Å; V29-Y87 PolarHBondContact O-N 3.39Å; Q31-Y87 HydrophobicContact CB-CD2 4.27Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 PolarHBondContact OE1-OH 2.77Å; V85-Y87 HydrophobicContact CB-CE2 3.68Å; V85-Y87 HydrophobicContact CG1-CD2 4.25Å; V85-Y87 HydrophobicContact CG1-CE1 4.02Å; V85-Y87 HydrophobicContact CG1-CE2 3.5Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.2Å; Y87-W97 HydrophobicContact CD1-CE3 4.24Å; Y87-W97 AromaticContact CG-CE3 3.93Å; Y87-W97 HydrophobicContact CG-CE3 3.93Å; Y87-W97 HydrophobicContact CG-CZ3 4.2Å; Y87-G98 WeakPolarHBondContact CD1-O 3.38Å; Y87-G100 VanDerWaalsContact CD1-CA 3.4Å; Y87-G100 VanDerWaalsContact CE1-CA 3.43Å
88	C	95.3	Very high	87	Confident	11 Å²	11	55.5 Å²	55.5	7%	0.074	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	148.2	159.8	59.5	0	0	0	0	109.7	C14 M26 H27 W28 W97 G98	C14-C88 HydrophobicContact CB-CB 3.47Å; C14-C88 VanDerWaalsContact CB-CB 3.47Å; C14-C88 WeakPolarHBondContact CB-SG 3.37Å; C14-C88 WeakPolarHBondContact SG-CB 3.46Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.79Å; M26-C88 HydrophobicContact CE-CB 4.31Å; H27-C88 CarbonylContact O-C 3.58Å; H27-C88 WeakPolarHBondContact O-CA 3.42Å; W28-C88 HydrophobicContact CD2-CB 4.38Å; W28-C88 HydrophobicContact CE3-CB 4.21Å; W28-C88 HydrophobicContact CH2-CB 4.22Å; W28-C88 HydrophobicContact CZ2-CB 4.37Å; W28-C88 HydrophobicContact CZ3-CB 4.13Å; C88-W97 WeakPolarHBondContact O-CA 3.49Å; C88-G98 PolarHBondContact O-N 2.91Å
89	A	93.4	Very high	86.9	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.008	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	150.8	176	0	0	0	0	0	111.4	H27 Y96 W97	H27-A89 HydrophobicContact CB-CB 4.41Å; H27-A89 PolarHBondContact N-O 3.35Å; H27-A89 PolarHBondContact O-N 3.43Å; A89-Y96 WeakPolarHBondContact CA-O 3.23Å; A89-W97 HydrophobicContact CB-CD2 3.97Å; A89-W97 HydrophobicContact CB-CE3 4.27Å; A89-W97 HydrophobicContact CB-CG 4.35Å; A89-W97 HydrophobicContact CB-CZ2 4.27Å
90	R	91.2	Very high	86.8	Confident	51 Å²	51	63.2 Å²	63.2	19%	0.192	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	141.9	175.4	-168.9	177.6	118.2	-160.2	-0.2	110.7	F19 T24 D92 M94 Y96	F19-R90 HydrophobicContact CE2-CG 4.36Å; F19-R90 HydrophobicContact CZ-CG 4.37Å; T24-R90 HydrophobicContact CG2-CG 3.7Å; T24-R90 WeakPolarHBondContact OG1-CG 3.38Å; R90-D92 IonicContact CZ-OD2 3.67Å; R90-D92 IonicContact NE-OD2 3.33Å; R90-D92 PolarHBondContact NE-OD2 3.06Å; R90-D92 IonicContact NH2-OD2 3.55Å; R90-D92 PolarHBondContact NH2-OD2 2.93Å; R90-D92 PolarHBondContact O-N 2.76Å; R90-M94 WeakPolarHBondContact O-CA 3.24Å; R90-M94 PolarHBondContact O-N 2.85Å; R90-Y96 PolarHBondContact N-O 3.08Å
91	E	80.5	Confident	87	Confident	72 Å²	72	61.7 Å²	61.7	34%	0.336	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-35.8	-177.3	-173.6	153.1	-177.6	0	0	114.1	Y25 H27 K42 G93 M94	Y25-E91 WeakPolarHBondContact CB-OE2 3.31Å; Y25-E91 HydrophobicContact CD2-CB 4.3Å; Y25-E91 HydrophobicContact CD2-CG 4.4Å; Y25-E91 WeakPolarHBondContact CD2-OE2 3.17Å; Y25-E91 PolarHBondContact O-N 2.93Å; Y25-E91 VanDerWaalsContact O-N 3.11Å; H27-E91 WeakPolarHBondContact NE2-CB 3.27Å; H27-E91 IonicContact NE2-OE2 2.88Å; H27-E91 PolarHBondContact NE2-OE2 2.86Å; K42-E91 VanDerWaalsContact NZ-CD 3.3Å; K42-E91 IonicContact NZ-OE1 3.27Å; K42-E91 PolarHBondContact NZ-OE1 3.47Å; K42-E91 IonicContact NZ-OE2 2.72Å; K42-E91 PolarHBondContact NZ-OE2 3.27Å; E91-G93 PolarHBondContact O-N 2.83Å; E91-M94 PolarHBondContact O-N 2.8Å
92	D	66.7	Low	87.2	Confident	87 Å²	87	57.4 Å²	57.4	47%	0.465	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	99.2	176.6	-67.2	-28.8	0	0	0	110.7	R90 M94	R90-D92 IonicContact CZ-OD2 3.67Å; R90-D92 IonicContact NE-OD2 3.33Å; R90-D92 PolarHBondContact NE-OD2 3.06Å; R90-D92 IonicContact NH2-OD2 3.55Å; R90-D92 PolarHBondContact NH2-OD2 2.93Å; R90-D92 PolarHBondContact O-N 2.76Å; D92-M94 PolarHBondContact O-N 2.87Å
93	G	57.8	Low	87.2	Confident	56 Å²	56	57.2 Å²	57.2	58%	0.577	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	-8.6	177.7	0	0	0	0	0	116.3	E91 D95	E91-G93 PolarHBondContact O-N 2.83Å; G93-D95 PolarHBondContact O-N 3.1Å; G93-D95 VanDerWaalsContact O-N 3.14Å
94	M	64.3	Low	87.2	Confident	79 Å²	79	57.8 Å²	57.8	39%	0.389	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	29.2	-158.6	-64.7	-165	175.3	0	0	111.9	R90 E91 D92 Y96 W97	R90-M94 WeakPolarHBondContact O-CA 3.24Å; R90-M94 PolarHBondContact O-N 2.85Å; E91-M94 PolarHBondContact O-N 2.8Å; D92-M94 PolarHBondContact O-N 2.87Å; M94-Y96 VanDerWaalsContact C-N 3.27Å; M94-Y96 PolarHBondContact O-N 3.15Å; M94-W97 PolarHBondContact O-NE1 3.17Å; M94-W97 HydrophobicContact SD-CZ2 4.2Å
95	D	68.5	Low	87.1	Confident	125 Å²	125	58.2 Å²	58.2	67%	0.668	31%	0.313	S	S	*	.			trans	-76.2	-21.8	-174.4	-64.6	-34.9	0	0	0	111.4	G93	G93-D95 PolarHBondContact O-N 3.1Å; G93-D95 VanDerWaalsContact O-N 3.14Å
96	Y	81.6	Confident	86.6	Confident	148 Å²	148	58.7 Å²	58.7	58%	0.58	32%	0.318	S	S	*	.			trans	-118	113.3	-176.1	-65	-83.4	0	0	0	111.3	A89 R90 M94	A89-Y96 WeakPolarHBondContact CA-O 3.23Å; R90-Y96 PolarHBondContact N-O 3.08Å; M94-Y96 VanDerWaalsContact C-N 3.27Å; M94-Y96 PolarHBondContact O-N 3.15Å
97	W	90.4	Very high	85.3	Confident	95 Å²	95	66.9 Å²	66.9	36%	0.36	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-110.4	142.6	175.2	-68.8	68.9	0	0	0	110.3	V29 L37 Y87 C88 A89 M94	V29-W97 HydrophobicContact CB-CH2 4.09Å; V29-W97 HydrophobicContact CB-CZ3 3.81Å; V29-W97 HydrophobicContact CG1-CH2 4.03Å; V29-W97 HydrophobicContact CG1-CZ3 3.96Å; V29-W97 HydrophobicContact CG2-CH2 3.79Å; V29-W97 HydrophobicContact CG2-CZ3 3.91Å; L37-W97 HydrophobicContact CD1-CH2 3.85Å; L37-W97 HydrophobicContact CD1-CZ2 4.43Å; L37-W97 HydrophobicContact CD1-CZ3 4.4Å; Y87-W97 HydrophobicContact CD1-CE3 4.24Å; Y87-W97 AromaticContact CG-CE3 3.93Å; Y87-W97 HydrophobicContact CG-CE3 3.93Å; Y87-W97 HydrophobicContact CG-CZ3 4.2Å; C88-W97 WeakPolarHBondContact O-CA 3.49Å; A89-W97 HydrophobicContact CB-CD2 3.97Å; A89-W97 HydrophobicContact CB-CE3 4.27Å; A89-W97 HydrophobicContact CB-CG 4.35Å; A89-W97 HydrophobicContact CB-CZ2 4.27Å; M94-W97 PolarHBondContact O-NE1 3.17Å; M94-W97 HydrophobicContact SD-CZ2 4.2Å
98	G	91.2	Very high	84.8	Confident	26 Å²	26	68 Å²	68	27%	0.268	39%	0.385	S	S	.	.			trans	-63.4	162.4	164.1	0	0	0	0	0	111.1	Y87 C88 G100	Y87-G98 WeakPolarHBondContact CD1-O 3.38Å; C88-G98 PolarHBondContact O-N 2.91Å; G98-G100 PolarHBondContact O-N 3.08Å; G98-G100 VanDerWaalsContact O-N 3.08Å
99	Q	92.2	Very high	84.3	Confident	192 Å²	192	70.9 Å²	70.9	90%	0.897	40%	0.402	S	S	*	.			trans	-62.9	-17.4	179.1	-66.3	-64	-49.2	0	0	113.8
100	G	93.5	Very high	83.7	Confident	27 Å²	27	74.8 Å²	74.8	28%	0.278	42%	0.424	S	S	.	.			trans	85.1	144.3	-177.6	0	0	0	0	0	112.7	Y86 Y87 G98	Y86-G100 CarbonylContact O-C 3.58Å; Y86-G100 VanDerWaalsContact O-CA 3.26Å; Y86-G100 WeakPolarHBondContact O-CA 3.31Å; Y87-G100 VanDerWaalsContact CD1-CA 3.4Å; Y87-G100 VanDerWaalsContact CE1-CA 3.43Å; G98-G100 PolarHBondContact O-N 3.08Å; G98-G100 VanDerWaalsContact O-N 3.08Å
101	T	95.4	Very high	83.3	Confident	58 Å²	58	76.2 Å²	76.2	36%	0.356	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	114.9	175.8	-59.5	0	0	0	0	109.2	F12 Y86	F12-T101 HydrophobicContact CD1-CG2 3.94Å; F12-T101 HydrophobicContact CE1-CG2 3.88Å; Y86-T101 PolarHBondContact N-O 2.78Å; Y86-T101 PolarHBondContact O-N 3.45Å
102	S	95.3	Very high	83.5	Confident	41 Å²	41	76.5 Å²	76.5	29%	0.287	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	132.2	174.1	168.6	0	0	0	0	110.7	A1 E2	A1-S102 CarbonylContact C-O 3.57Å; A1-S102 WeakPolarHBondContact CA-O 3.21Å; E2-S102 PolarHBondContact N-O 2.61Å
103	V	94.6	Very high	84.6	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	135.6	170.1	175.9	0	0	0	0	108.8	E2 V4 F12 T83 A84 Y86 V105	E2-V103 HydrophobicContact CB-CG2 4.36Å; E2-V103 WeakPolarHBondContact O-CA 3.49Å; V4-V103 HydrophobicContact CG2-CG1 3.76Å; F12-V103 HydrophobicContact CE1-CG2 3.45Å; F12-V103 VanDerWaalsContact CE1-CG2 3.45Å; F12-V103 HydrophobicContact CZ-CG2 3.49Å; F12-V103 VanDerWaalsContact CZ-CG2 3.49Å; T83-V103 VanDerWaalsContact CA-O 3.32Å; T83-V103 WeakPolarHBondContact CA-O 3.39Å; A84-V103 PolarHBondContact N-O 2.8Å; A84-V103 PolarHBondContact O-N 2.86Å; Y86-V103 HydrophobicContact CD2-CB 4.34Å; Y86-V103 HydrophobicContact CD2-CG2 4.13Å; Y86-V103 HydrophobicContact CE2-CB 4.05Å; Y86-V103 HydrophobicContact CE2-CG2 4.25Å; V103-V105 HydrophobicContact CG1-CG2 4.3Å
104	T	94.8	Very high	86.5	Confident	56 Å²	56	77.2 Å²	77.2	34%	0.344	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.3	174.4	-58.1	0	0	0	0	108.9	E2 L3 V4 T83	E2-T104 PolarHBondContact O-N 2.92Å; L3-T104 WeakPolarHBondContact CA-O 3.31Å; L3-T104 HydrophobicContact CD1-CG2 3.84Å; V4-T104 PolarHBondContact N-O 3.27Å; T83-T104 HydrophobicContact CG2-CG2 4.31Å
105	V	92.4	Very high	88.2	Confident	11 Å²	11	77.1 Å²	77.1	7%	0.067	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	104.4	176.8	-168.9	0	0	0	0	108.4	V4 P6 L78 T79 D82 T83 V103	V4-V105 HydrophobicContact CG2-CB 4.19Å; V4-V105 HydrophobicContact CG2-CG1 4.3Å; V4-V105 HydrophobicContact CG2-CG2 3.67Å; V4-V105 WeakPolarHBondContact O-CA 3.28Å; P6-V105 HydrophobicContact CB-CG1 4.47Å; P6-V105 HydrophobicContact CG-CG1 4.15Å; L78-V105 HydrophobicContact CB-CG1 4.41Å; L78-V105 HydrophobicContact CB-CG2 4.11Å; T79-V105 WeakPolarHBondContact O-CB 3.38Å; T79-V105 VanDerWaalsContact O-CG2 3.26Å; T79-V105 WeakPolarHBondContact O-CG2 3.05Å; D82-V105 HydrophobicContact CB-CG2 4.17Å; T83-V105 PolarHBondContact OG1-N 3.42Å; V103-V105 HydrophobicContact CG1-CG2 4.3Å
106	S	87.5	Confident	89.9	Confident	48 Å²	48	73.1 Å²	73.1	34%	0.336	42%	0.416	S	S	.	.			trans	-106.6	130.5	-176.3	62.4	0	0	0	0	111.8	L3 V4 P6	L3-S106 WeakPolarHBondContact CD1-OG 3.31Å; V4-S106 PolarHBondContact O-N 2.63Å; V4-S106 VanDerWaalsContact O-N 3.09Å; P6-S106 VanDerWaalsContact CD-O 3.23Å; P6-S106 WeakPolarHBondContact CD-O 3.39Å
107	S	69.6	Low	90.6	Very high	175 Å²	175	66.3 Å²	66.3	100%	1.224	40%	0.401	S	S	*	.			trans	-59.9	0	171	57.6	0	0	0	0	113.1

Retrieved 107 of 107 residues in 23.4 ms (Link to these results)

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