X5J4I4_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4I4, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 111 aa.

						>X5J4I4_MOUSE|X5J4I4
AELMKPGASVKISCKATGYTFSSYWIEWVKQRPGHGLEWIGEILPGSGSTNYNEKFKGRATFTADTSSNTAYMQLSSLTSEDSAVYYCARREVRLWFAYWGQGTLVTVSAA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	A	65.3	Low	90.4	Very high	115 Å²	115	75.9 Å²	75.9	95%	0.95	45%	0.454	S	S	*	.				0	134.4	0	0	0	0	0	0	107.5	L105	A1-L105 CarbonylContact C-O 3.58Å; A1-L105 WeakPolarHBondContact CA-O 3.4Å; A1-L105 HydrophobicContact CB-CB 4.09Å; A1-L105 HydrophobicContact CB-CD2 4.03Å; A1-L105 HydrophobicContact CB-CG 4.25Å
2	E	79.8	Confident	90.9	Very high	81 Å²	81	70.2 Å²	70.2	38%	0.379	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	126	-176.2	-161.1	167.5	-171.1	0	0	109.7	M4 V10 L105 T107	E2-M4 HydrophobicContact CG-CE 3.57Å; E2-M4 HydrophobicContact CG-CG 4.39Å; E2-M4 HydrophobicContact CG-SD 4.04Å; E2-M4 WeakPolarHBondContact OE1-CE 3.3Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.46Å; E2-L105 PolarHBondContact N-O 3.01Å; E2-T107 PolarHBondContact O-N 3.17Å
3	L	90.4	Very high	91.3	Very high	120 Å²	120	70.5 Å²	70.5	63%	0.628	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	119	178.9	-177.6	65.6	0	0	0	109.2	T107 S109	L3-T107 CarbonylContact C-O 3.6Å; L3-T107 WeakPolarHBondContact CA-O 3.33Å; L3-T107 HydrophobicContact CD1-CG2 3.91Å; L3-S109 WeakPolarHBondContact CD1-OG 3.36Å
4	M	92.5	Very high	91.7	Very high	24 Å²	24	66.6 Å²	66.6	12%	0.118	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	148.4	-173.5	-64.1	-57.4	-154.5	0	0	111.5	E2 V10 L78 V106 T107 V108 S109	E2-M4 HydrophobicContact CG-CE 3.57Å; E2-M4 HydrophobicContact CG-CG 4.39Å; E2-M4 HydrophobicContact CG-SD 4.04Å; E2-M4 WeakPolarHBondContact OE1-CE 3.3Å; M4-V10 HydrophobicContact CE-CB 3.59Å; M4-V10 HydrophobicContact CE-CG2 3.61Å; M4-L78 HydrophobicContact CB-CD1 3.87Å; M4-L78 HydrophobicContact CG-CD1 3.89Å; M4-V106 HydrophobicContact CG-CG1 4.27Å; M4-T107 PolarHBondContact N-O 3.4Å; M4-V108 HydrophobicContact CB-CG2 4.31Å; M4-V108 WeakPolarHBondContact O-CA 3.42Å; M4-S109 PolarHBondContact O-N 2.92Å
5	K	93.4	Very high	91.9	Very high	159 Å²	159	72.5 Å²	72.5	69%	0.691	42%	0.422	S	S	*	.			trans	-84.2	149.5	169.1	-64.5	-175	-179	-174.7	0	110.1	A8	K5-A8 WeakPolarHBondContact O-CB 3.3Å; K5-A8 PolarHBondContact O-N 3Å; K5-A8 VanDerWaalsContact O-N 3.13Å
6	P	94.8	Very high	91.9	Very high	71 Å²	71	68.4 Å²	68.4	46%	0.461	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	140.9	170.2	-25.3	34.8	0	0	0	111.7	A8 L78 V108 A110	P6-A8 PolarHBondContact O-N 3.36Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.4Å; P6-V108 HydrophobicContact CG-CG1 4.27Å; P6-A110 HydrophobicContact CG-CB 4.2Å
7	G	93.9	Very high	91.7	Very high	55 Å²	55	70.9 Å²	70.9	57%	0.567	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	-11.9	-176.1	0	0	0	0	0	115	L78	G7-L78 PolarHBondContact N-O 3.01Å
8	A	95.1	Very high	91.5	Very high	33 Å²	33	71.9 Å²	71.9	27%	0.273	44%	0.444	S	S	.	.			trans	-67.9	172.3	174.2	0	0	0	0	0	112	K5 P6 S77 L78	K5-A8 WeakPolarHBondContact O-CB 3.3Å; K5-A8 PolarHBondContact O-N 3Å; K5-A8 VanDerWaalsContact O-N 3.13Å; P6-A8 PolarHBondContact O-N 3.36Å; A8-S77 PolarHBondContact O-N 3.25Å; A8-L78 WeakPolarHBondContact O-CB 2.96Å; A8-L78 WeakPolarHBondContact O-CG 3.38Å; A8-L78 PolarHBondContact O-N 2.86Å
9	S	96	Very high	91.3	Very high	57 Å²	57	71.1 Å²	71.1	40%	0.399	43%	0.432	S	S	.	.			trans	-118.5	144.2	171	-59.7	0	0	0	0	110.1	L75 S76	S9-L75 CarbonylContact C-O 3.5Å; S9-L75 VanDerWaalsContact CA-O 3.25Å; S9-L75 WeakPolarHBondContact CA-O 3.46Å; S9-S76 WeakPolarHBondContact OG-CA 3.17Å
10	V	95.9	Very high	91.3	Very high	1 Å²	1	71.9 Å²	71.9	1%	0.006	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	144	173.7	63.6	0	0	0	0	110	E2 M4 I12 Q74 L75 L78 V106	E2-V10 WeakPolarHBondContact OE2-CG2 3.46Å; M4-V10 HydrophobicContact CE-CB 3.59Å; M4-V10 HydrophobicContact CE-CG2 3.61Å; V10-I12 HydrophobicContact CG1-CG1 4.47Å; V10-I12 HydrophobicContact CG2-CG1 4.02Å; V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 VanDerWaalsContact O-CA 3.27Å; V10-Q74 WeakPolarHBondContact O-CA 3.36Å; V10-L75 HydrophobicContact CG1-CB 4.05Å; V10-L75 PolarHBondContact N-O 2.81Å; V10-L75 PolarHBondContact O-N 3.28Å; V10-L78 HydrophobicContact CB-CD1 3.98Å; V10-L78 HydrophobicContact CG1-CD1 3.93Å; V10-L78 HydrophobicContact CG1-CD2 4.07Å; V10-L78 HydrophobicContact CG1-CG 4.49Å; V10-V106 HydrophobicContact CG2-CG2 4.21Å
11	K	96.9	Very high	91.4	Very high	119 Å²	119	68.5 Å²	68.5	52%	0.517	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	113.1	172.4	-174.5	177.4	179.3	179.6	0	109.6	Y72 M73	K11-Y72 HydrophobicContact CD-CD1 4.43Å; K11-Y72 HydrophobicContact CG-CD1 4.43Å; K11-M73 CarbonylContact C-O 3.52Å; K11-M73 WeakPolarHBondContact CA-O 3.4Å
12	I	96.6	Very high	92.8	Very high	7 Å²	7	65.1 Å²	65.1	4%	0.036	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	133.6	-179.9	-49.1	-172.9	0	0	0	108.3	V10 W28 Y72 M73 Y86 V106	V10-I12 HydrophobicContact CG1-CG1 4.47Å; V10-I12 HydrophobicContact CG2-CG1 4.02Å; I12-W28 HydrophobicContact CB-CH2 4.34Å; I12-W28 HydrophobicContact CB-CZ3 4Å; I12-W28 HydrophobicContact CG2-CH2 4.2Å; I12-W28 HydrophobicContact CG2-CZ3 3.68Å; I12-W28 WeakPolarHBondContact O-CH2 3.46Å; I12-Y72 CarbonylContact O-C 3.47Å; I12-Y72 VanDerWaalsContact O-CA 3.24Å; I12-Y72 WeakPolarHBondContact O-CA 3.35Å; I12-M73 HydrophobicContact CB-CE 4.38Å; I12-M73 HydrophobicContact CD1-CE 3.59Å; I12-M73 HydrophobicContact CG1-CE 4.03Å; I12-M73 PolarHBondContact N-O 3.37Å; I12-M73 PolarHBondContact O-N 3.26Å; I12-Y86 HydrophobicContact CD1-CD1 3.92Å; I12-Y86 HydrophobicContact CD1-CD2 3.9Å; I12-Y86 HydrophobicContact CD1-CG 3.46Å; I12-Y86 VanDerWaalsContact CD1-CG 3.46Å; I12-V106 HydrophobicContact CD1-CG2 4.01Å
13	S	96.8	Very high	93.4	Very high	74 Å²	74	64.9 Å²	64.9	52%	0.517	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	149.5	177.4	62.4	0	0	0	0	111.7	A71	S13-A71 CarbonylContact C-O 3.56Å; S13-A71 WeakPolarHBondContact CA-O 3.42Å
14	C	96.1	Very high	93.5	Very high	16 Å²	16	62.2 Å²	62.2	11%	0.108	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	106.9	175.1	-177.8	0	0	0	0	108.8	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.67Å; C14-W28 HydrophobicContact CB-CZ2 4.05Å; C14-W28 HydrophobicContact CB-CZ3 4.39Å; C14-T70 CarbonylContact O-C 3.48Å; C14-T70 WeakPolarHBondContact O-CA 3.5Å; C14-A71 HydrophobicContact CB-CB 4.42Å; C14-A71 PolarHBondContact N-O 2.75Å; C14-A71 PolarHBondContact O-N 3.41Å; 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 3.35Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.77Å
15	K	95.5	Very high	93.6	Very high	155 Å²	155	63.9 Å²	63.9	67%	0.674	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	124	179.5	-173.9	173.8	-176.9	176.6	0	110.2
16	A	91.7	Very high	93.8	Very high	7 Å²	7	56.4 Å²	56.4	6%	0.058	35%	0.348	C	S	.	.			trans	-88.1	141.2	177.1	0	0	0	0	0	111.9	Y19 F21 N69	A16-Y19 HydrophobicContact CB-CE1 3.63Å; A16-Y19 HydrophobicContact CB-CE2 4.13Å; A16-Y19 WeakPolarHBondContact CB-OH 3.36Å; A16-F21 HydrophobicContact CB-CB 4.05Å; A16-F21 HydrophobicContact CB-CD2 3.3Å; A16-F21 HydrophobicContact CB-CE2 3.98Å; A16-F21 HydrophobicContact CB-CG 3.96Å; A16-N69 HydrophobicContact CB-CB 4.29Å; A16-N69 PolarHBondContact N-O 2.94Å
17	T	88.6	Confident	93.9	Very high	112 Å²	112	53 Å²	53	69%	0.687	33%	0.326	S	S	*	.			trans	-138.2	142.3	175.6	55.4	0	0	0	0	109.9	Y19	T17-Y19 VanDerWaalsContact O-CD1 3.28Å; T17-Y19 WeakPolarHBondContact O-CD1 3.4Å
18	G	87.4	Confident	94	Very high	89 Å²	89	50.5 Å²	50.5	92%	0.918	30%	0.299	S	S	*	.	S	Bend	trans	79.1	16.5	172.9	0	0	0	0	0	116.6
19	Y	87.5	Confident	94.1	Very high	55 Å²	55	49 Å²	49	22%	0.216	29%	0.287	C	S	.	.	S	Bend	trans	-156.7	166.4	173.4	64.9	-84.8	0	0	0	112.9	A16 T17 F21 Y24 I26 R90	A16-Y19 HydrophobicContact CB-CE1 3.63Å; A16-Y19 HydrophobicContact CB-CE2 4.13Å; A16-Y19 WeakPolarHBondContact CB-OH 3.36Å; T17-Y19 VanDerWaalsContact O-CD1 3.28Å; T17-Y19 WeakPolarHBondContact O-CD1 3.4Å; Y19-F21 VanDerWaalsContact C-N 3.35Å; Y19-F21 HydrophobicContact CE2-CB 4.39Å; Y19-F21 HydrophobicContact CE2-CD2 4.35Å; Y19-F21 PolarHBondContact O-N 3.01Å; Y19-Y24 AromaticContact CD2-CD2 3.55Å; Y19-Y24 HydrophobicContact CD2-CD2 3.55Å; Y19-Y24 HydrophobicContact CD2-CE2 4.02Å; Y19-Y24 HydrophobicContact CD2-CG 4.24Å; Y19-Y24 HydrophobicContact CE2-CD2 4.05Å; Y19-Y24 HydrophobicContact CE2-CG 4.37Å; Y19-I26 WeakPolarHBondContact OH-CD1 3.39Å; Y19-R90 HydrophobicContact CE2-CG 4.07Å; Y19-R90 VanDerWaalsContact CZ-CD 3.44Å
20	T	91.8	Very high	94.2	Very high	87 Å²	87	46.8 Å²	46.8	53%	0.534	27%	0.27	S	S	.	.			trans	-71.3	85.6	174.3	-48.6	0	0	0	0	110.6	S22 S23 Y24	T20-S22 PolarHBondContact O-N 2.82Å; T20-S22 VanDerWaalsContact O-N 3.11Å; T20-S23 WeakPolarHBondContact CG2-OG 3.46Å; T20-S23 PolarHBondContact O-N 3.11Å; T20-Y24 VanDerWaalsContact O-CD2 3.29Å; T20-Y24 WeakPolarHBondContact O-CD2 3.21Å
21	F	93.6	Very high	94.2	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-49.6	-38.3	-174.4	173.6	-112.8	0	0	0	114.6	A16 Y19 S23 Y24 I26 P45 A64 N69 A71	A16-F21 HydrophobicContact CB-CB 4.05Å; A16-F21 HydrophobicContact CB-CD2 3.3Å; A16-F21 HydrophobicContact CB-CE2 3.98Å; A16-F21 HydrophobicContact CB-CG 3.96Å; Y19-F21 VanDerWaalsContact C-N 3.35Å; Y19-F21 HydrophobicContact CE2-CB 4.39Å; Y19-F21 HydrophobicContact CE2-CD2 4.35Å; Y19-F21 PolarHBondContact O-N 3.01Å; F21-S23 PolarHBondContact O-N 3Å; F21-Y24 PolarHBondContact O-N 2.91Å; F21-I26 HydrophobicContact CD2-CD1 4.01Å; F21-I26 HydrophobicContact CD2-CG1 4.29Å; F21-I26 HydrophobicContact CE2-CD1 3.77Å; F21-I26 HydrophobicContact CE2-CG1 3.63Å; F21-I26 HydrophobicContact CZ-CG1 4.34Å; F21-P45 HydrophobicContact CD1-CB 3.82Å; F21-P45 HydrophobicContact CD1-CG 4.03Å; F21-P45 HydrophobicContact CD2-CG 4.22Å; F21-P45 HydrophobicContact CE1-CB 3.42Å; F21-P45 VanDerWaalsContact CE1-CB 3.42Å; F21-P45 HydrophobicContact CE1-CG 3.56Å; F21-P45 HydrophobicContact CE2-CG 3.8Å; F21-P45 HydrophobicContact CG-CG 4.35Å; F21-P45 HydrophobicContact CZ-CB 3.84Å; F21-P45 HydrophobicContact CZ-CG 3.43Å; F21-P45 VanDerWaalsContact CZ-CG 3.43Å; F21-A64 HydrophobicContact CE1-CB 4.15Å; F21-A64 HydrophobicContact CZ-CB 4.19Å; F21-N69 HydrophobicContact CB-CB 3.94Å; F21-N69 WeakPolarHBondContact CB-OD1 3.1Å; F21-N69 HydrophobicContact CD1-CB 4.15Å; F21-N69 HydrophobicContact CG-CB 4.03Å; F21-A71 HydrophobicContact CE2-CB 4.16Å; F21-A71 HydrophobicContact CZ-CB 3.83Å
22	S	94.4	Very high	94.1	Very high	44 Å²	44	47.4 Å²	47.4	31%	0.308	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-65.3	-18	179.7	53.1	0	0	0	0	114.9	T20 G46	T20-S22 PolarHBondContact O-N 2.82Å; T20-S22 VanDerWaalsContact O-N 3.11Å; S22-G46 VanDerWaalsContact O-CA 3.26Å; S22-G46 WeakPolarHBondContact O-CA 2.88Å; S22-G46 PolarHBondContact O-N 2.93Å
23	S	92.6	Very high	93.9	Very high	77 Å²	77	52.5 Å²	52.5	54%	0.538	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-97.2	-1.6	-174.7	-54.6	0	0	0	0	114.5	T20 F21	T20-S23 WeakPolarHBondContact CG2-OG 3.46Å; T20-S23 PolarHBondContact O-N 3.11Å; F21-S23 PolarHBondContact O-N 3Å
24	Y	93	Very high	93.7	Very high	63 Å²	63	53.3 Å²	53.3	25%	0.247	33%	0.325	C	S	.	.	S	Bend	trans	-125.2	142.9	-175.1	-65.6	-90.5	0	0	0	111.8	Y19 T20 F21 P45 R90 R91	Y19-Y24 AromaticContact CD2-CD2 3.55Å; Y19-Y24 HydrophobicContact CD2-CD2 3.55Å; Y19-Y24 HydrophobicContact CD2-CE2 4.02Å; Y19-Y24 HydrophobicContact CD2-CG 4.24Å; Y19-Y24 HydrophobicContact CE2-CD2 4.05Å; Y19-Y24 HydrophobicContact CE2-CG 4.37Å; T20-Y24 VanDerWaalsContact O-CD2 3.29Å; T20-Y24 WeakPolarHBondContact O-CD2 3.21Å; F21-Y24 PolarHBondContact O-N 2.91Å; Y24-P45 WeakPolarHBondContact O-CD 3.37Å; Y24-R90 HydrophobicContact CD1-CG 4.22Å; Y24-R90 HydrophobicContact CG-CG 4.1Å; Y24-R91 WeakPolarHBondContact CD1-O 3.29Å
25	W	94.9	Very high	93.6	Very high	60 Å²	60	57.4 Å²	57.4	23%	0.227	34%	0.343	C	S	.	.			trans	-69	133.5	170.5	-69.5	94.3	0	0	0	110	E42 I43 L44 S49 R91	W25-E42 HydrophobicContact CD2-CG 4.25Å; W25-E42 HydrophobicContact CE3-CB 3.92Å; W25-E42 VanDerWaalsContact CE3-CD 3.5Å; W25-E42 HydrophobicContact CE3-CG 3.42Å; W25-E42 VanDerWaalsContact CE3-CG 3.42Å; W25-E42 HydrophobicContact CZ3-CG 3.75Å; W25-I43 WeakPolarHBondContact CA-O 3.42Å; W25-L44 HydrophobicContact CD2-CB 3.78Å; W25-L44 HydrophobicContact CD2-CD1 4.47Å; W25-L44 HydrophobicContact CE3-CB 3.71Å; W25-L44 VanDerWaalsContact CE3-N 3.27Å; W25-L44 HydrophobicContact CG-CD1 4.43Å; W25-L44 HydrophobicContact CH2-CB 3.79Å; W25-L44 HydrophobicContact CZ2-CB 3.83Å; W25-L44 HydrophobicContact CZ2-CD2 4.09Å; W25-L44 HydrophobicContact CZ3-CB 3.72Å; W25-L44 VanDerWaalsContact CZ3-N 3.34Å; W25-S49 VanDerWaalsContact CZ3-O 3.28Å; W25-S49 WeakPolarHBondContact CZ3-O 3.44Å; W25-R91 HydrophobicContact CB-CB 4.07Å; W25-R91 PolarHBondContact O-N 3.21Å
26	I	96.3	Very high	93.5	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	112	172.5	-50	-60.1	0	0	0	107.4	Y19 F21 E42 I43 P45 A71 C88 A89	Y19-I26 WeakPolarHBondContact OH-CD1 3.39Å; F21-I26 HydrophobicContact CD2-CD1 4.01Å; F21-I26 HydrophobicContact CD2-CG1 4.29Å; F21-I26 HydrophobicContact CE2-CD1 3.77Å; F21-I26 HydrophobicContact CE2-CG1 3.63Å; F21-I26 HydrophobicContact CZ-CG1 4.34Å; I26-E42 CarbonylContact O-C 3.59Å; I26-E42 WeakPolarHBondContact O-CA 3.19Å; I26-E42 WeakPolarHBondContact O-CB 3.29Å; I26-I43 HydrophobicContact CB-CG2 4.17Å; I26-I43 PolarHBondContact N-O 3.26Å; I26-I43 PolarHBondContact O-N 2.79Å; I26-P45 HydrophobicContact CG1-CG 3.91Å; I26-A71 HydrophobicContact CB-CB 4.2Å; I26-A71 HydrophobicContact CG1-CB 4.28Å; I26-A71 HydrophobicContact CG2-CB 3.84Å; I26-C88 HydrophobicContact CG2-CB 4.31Å; I26-A89 CarbonylContact C-O 3.42Å; I26-A89 WeakPolarHBondContact CA-O 3.18Å
27	E	96.5	Very high	93.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	142.2	-177.4	-58.9	175.2	127.3	0	0	109.8	G41 E42 C88 A89 R91 F97	E27-G41 WeakPolarHBondContact CA-O 3.14Å; E27-E42 HydrophobicContact CB-CB 4.42Å; E27-E42 HydrophobicContact CG-CB 3.93Å; E27-C88 CarbonylContact O-C 3.59Å; E27-C88 WeakPolarHBondContact O-CA 3.35Å; E27-A89 HydrophobicContact CB-CB 4.48Å; E27-A89 PolarHBondContact N-O 3.49Å; E27-A89 PolarHBondContact O-N 2.83Å; E27-R91 HydrophobicContact CG-CB 4.29Å; E27-F97 HydrophobicContact CB-CD1 3.94Å; E27-F97 HydrophobicContact CB-CE1 3.56Å; E27-F97 HydrophobicContact CG-CD1 4.35Å; E27-F97 HydrophobicContact CG-CE1 4Å; E27-F97 WeakPolarHBondContact OE2-CA 3.36Å; E27-F97 WeakPolarHBondContact OE2-CD1 3.43Å; E27-F97 WeakPolarHBondContact OE2-CE1 3.46Å; E27-F97 WeakPolarHBondContact OE2-CG 3.49Å; E27-F97 PolarHBondContact OE2-N 3.35Å; E27-F97 VanDerWaalsContact OE2-N 3.12Å
28	W	97.8	Very high	94	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.008	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.9	175.5	-66.3	98	0	0	0	109.9	I12 C14 I40 G41 F62 A71 M73 Y87 C88	I12-W28 HydrophobicContact CB-CH2 4.34Å; I12-W28 HydrophobicContact CB-CZ3 4Å; I12-W28 HydrophobicContact CG2-CH2 4.2Å; I12-W28 HydrophobicContact CG2-CZ3 3.68Å; I12-W28 WeakPolarHBondContact O-CH2 3.46Å; C14-W28 HydrophobicContact CB-CH2 3.67Å; C14-W28 HydrophobicContact CB-CZ2 4.05Å; C14-W28 HydrophobicContact CB-CZ3 4.39Å; W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.33Å; W28-I40 WeakPolarHBondContact O-CB 3.34Å; W28-I40 PolarHBondContact O-N 3.42Å; W28-G41 PolarHBondContact N-O 2.86Å; W28-F62 HydrophobicContact CB-CE1 4.26Å; W28-F62 AromaticContact CD1-CD1 3.54Å; W28-F62 AromaticContact CD1-CE1 3.6Å; W28-F62 HydrophobicContact CG-CD1 4.33Å; W28-F62 HydrophobicContact CG-CE1 4.06Å; W28-F62 AromaticContact NE1-CD1 3.85Å; W28-A71 HydrophobicContact CZ2-CB 4.13Å; W28-M73 HydrophobicContact CB-SD 4.04Å; W28-M73 HydrophobicContact CD2-CB 3.53Å; W28-M73 HydrophobicContact CD2-CG 4.42Å; W28-M73 HydrophobicContact CD2-SD 4.28Å; W28-M73 VanDerWaalsContact CE2-CB 3.5Å; W28-M73 HydrophobicContact CE3-CB 3.89Å; W28-M73 HydrophobicContact CE3-SD 4.38Å; W28-M73 HydrophobicContact CG-CB 3.96Å; W28-M73 HydrophobicContact CG-CG 4.46Å; W28-M73 HydrophobicContact CG-SD 4.14Å; W28-M73 HydrophobicContact CH2-CB 4.14Å; W28-M73 HydrophobicContact CZ2-CB 3.83Å; W28-M73 VanDerWaalsContact CZ2-N 3.34Å; W28-M73 HydrophobicContact CZ3-CB 4.17Å; W28-Y87 WeakPolarHBondContact CA-O 3.28Å; W28-C88 HydrophobicContact CD2-CB 4.48Å; W28-C88 HydrophobicContact CE3-CB 4.05Å; W28-C88 HydrophobicContact CH2-CB 4.24Å; W28-C88 HydrophobicContact CZ3-CB 3.92Å
29	V	97.3	Very high	94.5	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.018	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138.3	-175	-175.8	0	0	0	0	109.1	L37 E38 Y86 Y87 F97 W100	V29-L37 HydrophobicContact CG1-CB 3.83Å; V29-L37 HydrophobicContact CG1-CD2 3.95Å; V29-L37 HydrophobicContact CG1-CG 4.38Å; V29-E38 CarbonylContact C-O 3.47Å; V29-E38 WeakPolarHBondContact CA-O 3.32Å; V29-E38 WeakPolarHBondContact CG1-O 3.49Å; V29-Y86 CarbonylContact O-C 3.56Å; V29-Y86 WeakPolarHBondContact O-CA 3.38Å; V29-Y87 PolarHBondContact N-O 2.87Å; V29-Y87 PolarHBondContact O-N 3.38Å; V29-F97 HydrophobicContact CG2-CD1 3.99Å; V29-F97 HydrophobicContact CG2-CE1 3.43Å; V29-F97 VanDerWaalsContact CG2-CE1 3.43Å; V29-F97 HydrophobicContact CG2-CZ 4.27Å; V29-W100 HydrophobicContact CB-CH2 3.98Å; V29-W100 HydrophobicContact CB-CZ3 3.86Å; V29-W100 HydrophobicContact CG1-CH2 3.98Å; V29-W100 HydrophobicContact CG1-CZ3 4.11Å; V29-W100 HydrophobicContact CG2-CH2 3.74Å; V29-W100 HydrophobicContact CG2-CZ3 4Å
30	K	96.1	Very high	94.9	Very high	9 Å²	9	49.9 Å²	49.9	4%	0.039	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	148.2	168.6	73.3	175.3	-157.3	174.9	0	111.8	E38 I40 F56 E81 D82 A84 V85 Y86	K30-E38 WeakPolarHBondContact CE-OE2 3.44Å; K30-E38 HydrophobicContact CG-CB 3.88Å; K30-E38 PolarHBondContact N-O 3.12Å; K30-E38 PolarHBondContact O-N 2.83Å; K30-I40 HydrophobicContact CB-CD1 4.1Å; K30-I40 HydrophobicContact CG-CD1 4.48Å; K30-I40 HydrophobicContact CG-CG1 4.5Å; K30-F56 HydrophobicContact CD-CE1 4.03Å; K30-F56 HydrophobicContact CD-CZ 3.79Å; K30-F56 HydrophobicContact CG-CZ 4.26Å; K30-E81 PolarHBondContact NZ-O 3.01Å; K30-E81 VanDerWaalsContact NZ-O 3.11Å; K30-D82 IonicContact NZ-OD1 3.29Å; K30-D82 PolarHBondContact NZ-OD1 3.29Å; K30-A84 HydrophobicContact CB-CB 4.06Å; K30-A84 HydrophobicContact CD-CB 4.42Å; K30-V85 CarbonylContact C-O 3.56Å; K30-V85 WeakPolarHBondContact CA-O 3.48Å; K30-Y86 HydrophobicContact CB-CD1 3.83Å; K30-Y86 HydrophobicContact CB-CE1 3.73Å; K30-Y86 HydrophobicContact CB-CG 4.41Å; K30-Y86 HydrophobicContact CD-CE1 4.22Å
31	Q	96.9	Very high	95.2	Very high	71 Å²	71	45.7 Å²	45.7	33%	0.332	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	118	171.3	-165.4	179.8	20.1	0	0	110	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.95Å; Q31-L37 HydrophobicContact CG-CD2 4.09Å; Q31-A84 WeakPolarHBondContact O-CA 3.35Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.47Å; Q31-V85 PolarHBondContact N-O 3.01Å; Q31-V85 PolarHBondContact O-N 2.97Å; Q31-Y87 HydrophobicContact CB-CE2 3.84Å
32	R	95.2	Very high	95.4	Very high	62 Å²	62	46.1 Å²	46.1	23%	0.234	27%	0.269	C	S	.	.			trans	-85.3	147.9	171.7	-68.8	-176.3	-76.3	171.5	-4.4	110.2	G34 H35 E38 E81 A84	R32-G34 PolarHBondContact O-N 3.45Å; R32-H35 HydrophobicContact CB-CB 4Å; R32-H35 PolarHBondContact O-N 2.84Å; R32-E38 IonicContact CZ-OE1 3.43Å; R32-E38 IonicContact NE-OE1 3.26Å; R32-E38 PolarHBondContact NE-OE1 3.29Å; R32-E38 IonicContact NH2-OE1 2.75Å; R32-E38 PolarHBondContact NH2-OE1 3.4Å; R32-E81 WeakPolarHBondContact CD-O 3.43Å; R32-A84 HydrophobicContact CG-CB 4.05Å
33	P	91.3	Very high	95.5	Very high	115 Å²	115	44.3 Å²	44.3	75%	0.747	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	127.5	172.5	-24.5	34.1	0	0	0	110.9	H35	P33-H35 VanDerWaalsContact C-N 3.27Å; P33-H35 PolarHBondContact O-CD2 3.17Å; P33-H35 PolarHBondContact O-N 2.87Å
34	G	93.1	Very high	95.7	Very high	90 Å²	90	42.3 Å²	42.3	93%	0.928	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.3	3.7	-178.8	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 3.45Å
35	H	93.9	Very high	95.9	Very high	103 Å²	103	39.9 Å²	39.9	48%	0.477	23%	0.231	S	C	.	.	S	Bend	trans	-119.3	162.1	177.6	-65.2	-82.6	0	0	0	112.4	R32 P33	R32-H35 HydrophobicContact CB-CB 4Å; R32-H35 PolarHBondContact O-N 2.84Å; P33-H35 VanDerWaalsContact C-N 3.27Å; P33-H35 PolarHBondContact O-CD2 3.17Å; P33-H35 PolarHBondContact O-N 2.87Å
36	G	93.9	Very high	95.9	Very high	52 Å²	52	39.6 Å²	39.6	54%	0.536	25%	0.246	S	C	.	.			trans	-69.9	176.8	173.4	0	0	0	0	0	113.4
37	L	95.3	Very high	95.9	Very high	98 Å²	98	43 Å²	43	51%	0.513	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	131.6	173.6	-64.6	173.9	0	0	0	110.5	V29 Q31 W100	V29-L37 HydrophobicContact CG1-CB 3.83Å; V29-L37 HydrophobicContact CG1-CD2 3.95Å; V29-L37 HydrophobicContact CG1-CG 4.38Å; Q31-L37 HydrophobicContact CB-CD2 3.95Å; Q31-L37 HydrophobicContact CG-CD2 4.09Å; L37-W100 HydrophobicContact CD1-CH2 3.86Å; L37-W100 HydrophobicContact CD1-CZ2 4.27Å; L37-W100 HydrophobicContact CD2-CH2 4.48Å
38	E	96.1	Very high	95.9	Very high	39 Å²	39	45 Å²	45	18%	0.182	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	111.5	175.5	-67.6	-178.8	-154.8	0	0	109.5	V29 K30 R32	V29-E38 CarbonylContact C-O 3.47Å; V29-E38 WeakPolarHBondContact CA-O 3.32Å; V29-E38 WeakPolarHBondContact CG1-O 3.49Å; K30-E38 WeakPolarHBondContact CE-OE2 3.44Å; K30-E38 HydrophobicContact CG-CB 3.88Å; K30-E38 PolarHBondContact N-O 3.12Å; K30-E38 PolarHBondContact O-N 2.83Å; R32-E38 IonicContact CZ-OE1 3.43Å; R32-E38 IonicContact NE-OE1 3.26Å; R32-E38 PolarHBondContact NE-OE1 3.29Å; R32-E38 IonicContact NH2-OE1 2.75Å; R32-E38 PolarHBondContact NH2-OE1 3.4Å
39	W	96.6	Very high	95.8	Very high	70 Å²	70	47.7 Å²	47.7	27%	0.265	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	130.6	175.6	-178.1	75.9	0	0	0	111	G41 E42 N51 N53 F97	W39-G41 PolarHBondContact NE1-O 3.07Å; W39-E42 HydrophobicContact CZ2-CB 4.22Å; W39-E42 HydrophobicContact CZ2-CG 3.91Å; W39-N51 HydrophobicContact CH2-CB 4.12Å; W39-N53 HydrophobicContact CE3-CB 3.73Å; W39-N53 HydrophobicContact CZ3-CB 3.91Å; W39-N53 VanDerWaalsContact O-CB 3.29Å; W39-N53 WeakPolarHBondContact O-CB 3.29Å; W39-N53 PolarHBondContact O-ND2 2.96Å; W39-F97 AromaticContact CD1-CE1 3.66Å; W39-F97 AromaticContact CD1-CZ 3.44Å; W39-F97 VanDerWaalsContact CD1-CZ 3.44Å; W39-F97 HydrophobicContact CG-CZ 4.24Å
40	I	97.6	Very high	95.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-43.2	-177.7	-56.6	171.8	0	0	0	110.1	W28 K30 N53 F56 A60 F62 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.33Å; W28-I40 WeakPolarHBondContact O-CB 3.34Å; W28-I40 PolarHBondContact O-N 3.42Å; K30-I40 HydrophobicContact CB-CD1 4.1Å; K30-I40 HydrophobicContact CG-CD1 4.48Å; K30-I40 HydrophobicContact CG-CG1 4.5Å; I40-N53 WeakPolarHBondContact O-CB 3.49Å; I40-N53 PolarHBondContact O-N 3Å; I40-F56 HydrophobicContact CB-CD2 4.21Å; I40-F56 HydrophobicContact CB-CE2 4.44Å; I40-F56 HydrophobicContact CB-CG 4.27Å; I40-F56 HydrophobicContact CG1-CD1 4.38Å; I40-F56 HydrophobicContact CG1-CD2 4.29Å; I40-F56 HydrophobicContact CG1-CE1 4.16Å; I40-F56 HydrophobicContact CG1-CE2 4.05Å; I40-F56 HydrophobicContact CG1-CG 4.43Å; I40-F56 HydrophobicContact CG1-CZ 3.98Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 3.86Å; I40-F56 HydrophobicContact CG2-CD2 4.05Å; I40-F56 HydrophobicContact CG2-CE1 4.47Å; I40-F56 HydrophobicContact CG2-CG 3.61Å; I40-A60 HydrophobicContact CG2-CB 4.01Å; I40-F62 HydrophobicContact CG2-CE1 4.16Å; I40-F62 HydrophobicContact CG2-CZ 3.91Å; I40-M73 HydrophobicContact CD1-CE 4.36Å; I40-M73 HydrophobicContact CD1-SD 3.71Å; I40-M73 HydrophobicContact CG2-SD 4Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.77Å
41	G	97.3	Very high	95.9	Very high	0 Å²	0	53 Å²	53	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.9	-174.9	-175.7	0	0	0	0	0	112.3	E27 W28 W39 N51	E27-G41 WeakPolarHBondContact CA-O 3.14Å; W28-G41 PolarHBondContact N-O 2.86Å; W39-G41 PolarHBondContact NE1-O 3.07Å; G41-N51 CarbonylContact C-O 3.58Å; G41-N51 WeakPolarHBondContact CA-O 3.19Å
42	E	97	Very high	95.9	Very high	9 Å²	9	52.8 Å²	52.8	4%	0.042	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	157.8	-180	64	-178.3	176.9	0	0	112.1	W25 I26 E27 W39 T50 N51 R91	W25-E42 HydrophobicContact CD2-CG 4.25Å; W25-E42 HydrophobicContact CE3-CB 3.92Å; W25-E42 VanDerWaalsContact CE3-CD 3.5Å; W25-E42 HydrophobicContact CE3-CG 3.42Å; W25-E42 VanDerWaalsContact CE3-CG 3.42Å; W25-E42 HydrophobicContact CZ3-CG 3.75Å; I26-E42 CarbonylContact O-C 3.59Å; I26-E42 WeakPolarHBondContact O-CA 3.19Å; I26-E42 WeakPolarHBondContact O-CB 3.29Å; E27-E42 HydrophobicContact CB-CB 4.42Å; E27-E42 HydrophobicContact CG-CB 3.93Å; W39-E42 HydrophobicContact CZ2-CB 4.22Å; W39-E42 HydrophobicContact CZ2-CG 3.91Å; E42-T50 VanDerWaalsContact O-CA 3.27Å; E42-T50 WeakPolarHBondContact O-CA 3.48Å; E42-N51 HydrophobicContact CG-CB 3.9Å; E42-N51 PolarHBondContact N-O 2.67Å; E42-N51 PolarHBondContact O-N 2.97Å; E42-N51 PolarHBondContact OE1-ND2 3.4Å; E42-R91 IonicContact OE1-NH1 3.93Å; E42-R91 IonicContact OE2-NH1 3.9Å
43	I	97.4	Very high	96	Very high	6 Å²	6	52 Å²	52	3%	0.031	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.6	172.4	-175.3	166.5	0	0	0	110.4	W25 I26 P45 S49 T50 F62 A64 A71	W25-I43 WeakPolarHBondContact CA-O 3.42Å; I26-I43 HydrophobicContact CB-CG2 4.17Å; I26-I43 PolarHBondContact N-O 3.26Å; I26-I43 PolarHBondContact O-N 2.79Å; I43-P45 WeakPolarHBondContact O-CD 3.49Å; I43-S49 CarbonylContact C-O 3.54Å; I43-S49 WeakPolarHBondContact CA-O 3.12Å; I43-T50 HydrophobicContact CB-CG2 3.96Å; I43-T50 HydrophobicContact CD1-CG2 3.97Å; I43-T50 HydrophobicContact CG1-CG2 3.79Å; I43-F62 HydrophobicContact CB-CB 3.93Å; I43-F62 HydrophobicContact CD1-CB 4.11Å; I43-F62 HydrophobicContact CG2-CB 4.24Å; I43-A64 HydrophobicContact CD1-CB 4.07Å; I43-A71 HydrophobicContact CG2-CB 4.44Å
44	L	96.8	Very high	96.2	Very high	36 Å²	36	52.8 Å²	52.8	19%	0.188	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	105.1	167	-177	58.2	0	0	0	108.6	W25 G46 S47 G48 S49	W25-L44 HydrophobicContact CD2-CB 3.78Å; W25-L44 HydrophobicContact CD2-CD1 4.47Å; W25-L44 HydrophobicContact CE3-CB 3.71Å; W25-L44 VanDerWaalsContact CE3-N 3.27Å; W25-L44 HydrophobicContact CG-CD1 4.43Å; W25-L44 HydrophobicContact CH2-CB 3.79Å; W25-L44 HydrophobicContact CZ2-CB 3.83Å; W25-L44 HydrophobicContact CZ2-CD2 4.09Å; W25-L44 HydrophobicContact CZ3-CB 3.72Å; W25-L44 VanDerWaalsContact CZ3-N 3.34Å; L44-G46 VanDerWaalsContact C-N 3.25Å; L44-G46 PolarHBondContact O-N 3.07Å; L44-S47 PolarHBondContact O-N 2.86Å; L44-G48 WeakPolarHBondContact O-CA 3.38Å; L44-G48 PolarHBondContact O-N 2.77Å; L44-S49 PolarHBondContact N-O 2.81Å
45	P	96.6	Very high	96.2	Very high	12 Å²	12	56 Å²	56	8%	0.078	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-29.6	-170.3	-24.5	35.2	0	0	0	114.3	F21 Y24 I26 I43 A64 T66	F21-P45 HydrophobicContact CD1-CB 3.82Å; F21-P45 HydrophobicContact CD1-CG 4.03Å; F21-P45 HydrophobicContact CD2-CG 4.22Å; F21-P45 HydrophobicContact CE1-CB 3.42Å; F21-P45 VanDerWaalsContact CE1-CB 3.42Å; F21-P45 HydrophobicContact CE1-CG 3.56Å; F21-P45 HydrophobicContact CE2-CG 3.8Å; F21-P45 HydrophobicContact CG-CG 4.35Å; F21-P45 HydrophobicContact CZ-CB 3.84Å; F21-P45 HydrophobicContact CZ-CG 3.43Å; F21-P45 VanDerWaalsContact CZ-CG 3.43Å; Y24-P45 WeakPolarHBondContact O-CD 3.37Å; I26-P45 HydrophobicContact CG1-CG 3.91Å; I43-P45 WeakPolarHBondContact O-CD 3.49Å; P45-A64 HydrophobicContact CB-CB 3.66Å; P45-A64 HydrophobicContact CG-CB 4.08Å; P45-T66 HydrophobicContact CB-CG2 4.12Å
46	G	95.5	Very high	96.3	Very high	53 Å²	53	51.3 Å²	51.3	55%	0.546	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-30.5	-179.3	0	0	0	0	0	114.7	S22 L44	S22-G46 VanDerWaalsContact O-CA 3.26Å; S22-G46 WeakPolarHBondContact O-CA 2.88Å; S22-G46 PolarHBondContact O-N 2.93Å; L44-G46 VanDerWaalsContact C-N 3.25Å; L44-G46 PolarHBondContact O-N 3.07Å
47	S	96.2	Very high	96.3	Very high	72 Å²	72	54.4 Å²	54.4	50%	0.503	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-15.6	179	63.9	0	0	0	0	113.6	L44 S49	L44-S47 PolarHBondContact O-N 2.86Å; S47-S49 PolarHBondContact O-N 2.85Å; S47-S49 VanDerWaalsContact OG-CB 3.31Å; S47-S49 WeakPolarHBondContact OG-CB 3.2Å; S47-S49 PolarHBondContact OG-N 2.98Å; S47-S49 PolarHBondContact OG-OG 3.13Å
48	G	95.9	Very high	96.3	Very high	44 Å²	44	53.5 Å²	53.5	45%	0.454	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	8.1	-169.3	0	0	0	0	0	113.8	L44	L44-G48 WeakPolarHBondContact O-CA 3.38Å; L44-G48 PolarHBondContact O-N 2.77Å
49	S	96.9	Very high	96.3	Very high	57 Å²	57	54.8 Å²	54.8	40%	0.399	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	137.6	177	-57.8	0	0	0	0	110.1	W25 I43 L44 S47	W25-S49 VanDerWaalsContact CZ3-O 3.28Å; W25-S49 WeakPolarHBondContact CZ3-O 3.44Å; I43-S49 CarbonylContact C-O 3.54Å; I43-S49 WeakPolarHBondContact CA-O 3.12Å; L44-S49 PolarHBondContact N-O 2.81Å; S47-S49 PolarHBondContact O-N 2.85Å; S47-S49 VanDerWaalsContact OG-CB 3.31Å; S47-S49 WeakPolarHBondContact OG-CB 3.2Å; S47-S49 PolarHBondContact OG-N 2.98Å; S47-S49 PolarHBondContact OG-OG 3.13Å
50	T	97.7	Very high	96.3	Very high	49 Å²	49	51.6 Å²	51.6	30%	0.301	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	142.8	-177.8	50	0	0	0	0	111.1	E42 I43 Y52 F62	E42-T50 VanDerWaalsContact O-CA 3.27Å; E42-T50 WeakPolarHBondContact O-CA 3.48Å; I43-T50 HydrophobicContact CB-CG2 3.96Å; I43-T50 HydrophobicContact CD1-CG2 3.97Å; I43-T50 HydrophobicContact CG1-CG2 3.79Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.1Å; T50-F62 HydrophobicContact CG2-CB 4Å; T50-F62 HydrophobicContact CG2-CD2 4.14Å
51	N	96.9	Very high	96.3	Very high	75 Å²	75	55 Å²	55	40%	0.401	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.1	168.5	-62.4	-45	0	0	0	108.8	W39 G41 E42 F62	W39-N51 HydrophobicContact CH2-CB 4.12Å; G41-N51 CarbonylContact C-O 3.58Å; G41-N51 WeakPolarHBondContact CA-O 3.19Å; E42-N51 HydrophobicContact CG-CB 3.9Å; E42-N51 PolarHBondContact N-O 2.67Å; E42-N51 PolarHBondContact O-N 2.97Å; E42-N51 PolarHBondContact OE1-ND2 3.4Å; N51-F62 WeakPolarHBondContact O-CE2 3.37Å
52	Y	97.4	Very high	96.4	Very high	67 Å²	67	55.5 Å²	55.5	26%	0.263	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	146.5	-177.3	-63	-92.2	0	0	0	110.1	T50 A60 F62	T50-Y52 WeakPolarHBondContact OG1-CE2 3.1Å; Y52-A60 HydrophobicContact CE1-CB 4.47Å; Y52-A60 VanDerWaalsContact CE1-O 3.24Å; Y52-A60 WeakPolarHBondContact CE1-O 3.22Å; Y52-F62 HydrophobicContact CD1-CD2 4.09Å; Y52-F62 AromaticContact CD1-CE2 3.38Å; Y52-F62 HydrophobicContact CD1-CE2 3.38Å; Y52-F62 AromaticContact CD1-CZ 3.9Å; Y52-F62 HydrophobicContact CD1-CZ 3.9Å; Y52-F62 AromaticContact CE1-CD2 3.48Å; Y52-F62 HydrophobicContact CE1-CD2 3.48Å; Y52-F62 VanDerWaalsContact CE1-CD2 3.48Å; Y52-F62 AromaticContact CE1-CE2 3.23Å; Y52-F62 HydrophobicContact CE1-CE2 3.23Å; Y52-F62 HydrophobicContact CE1-CG 4.27Å; Y52-F62 AromaticContact CE1-CZ 3.88Å; Y52-F62 HydrophobicContact CE1-CZ 3.88Å; Y52-F62 HydrophobicContact CG-CE2 4.15Å; Y52-F62 AromaticContact CZ-CD2 3.74Å; Y52-F62 AromaticContact CZ-CE2 3.91Å
53	N	96.5	Very high	96.4	Very high	45 Å²	45	58.2 Å²	58.2	24%	0.241	34%	0.343	C	S	.	.			trans	-72.3	134	155.8	-176.9	-32	0	0	0	108.4	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.73Å; W39-N53 HydrophobicContact CZ3-CB 3.91Å; W39-N53 VanDerWaalsContact O-CB 3.29Å; W39-N53 WeakPolarHBondContact O-CB 3.29Å; W39-N53 PolarHBondContact O-ND2 2.96Å; I40-N53 WeakPolarHBondContact O-CB 3.49Å; I40-N53 PolarHBondContact O-N 3Å; N53-K55 PolarHBondContact O-N 3.31Å; N53-K55 PolarHBondContact OD1-N 2.81Å; N53-F56 HydrophobicContact CB-CD2 4.01Å; N53-F56 PolarHBondContact O-N 2.9Å; N53-K57 PolarHBondContact O-N 2.82Å; N53-K57 VanDerWaalsContact O-N 3.11Å
54	E	95.4	Very high	96.4	Very high	132 Å²	132	59.7 Å²	59.7	62%	0.617	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-29.6	-179.1	-68	-60.7	142.7	0	0	113	F56 K57	E54-F56 VanDerWaalsContact C-N 3.25Å; E54-F56 PolarHBondContact O-N 3.29Å; E54-K57 IonicContact OE1-NZ 3.29Å; E54-K57 PolarHBondContact OE1-NZ 3.36Å; E54-K57 WeakPolarHBondContact OE2-CD 3.5Å; E54-K57 IonicContact OE2-NZ 3.66Å; E54-K57 PolarHBondContact OE2-NZ 2.88Å
55	K	93.4	Very high	96.5	Very high	156 Å²	156	60.6 Å²	60.6	68%	0.678	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.7	175.4	-68.4	-174.9	179.3	-178.5	0	114.5	N53	N53-K55 PolarHBondContact O-N 3.31Å; N53-K55 PolarHBondContact OD1-N 2.81Å
56	F	95.2	Very high	96.4	Very high	5 Å²	5	63.7 Å²	63.7	2%	0.022	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-7.8	-175.2	-63.1	-86.4	0	0	0	112.7	K30 I40 N53 E54 G58 R59 A60 L75	K30-F56 HydrophobicContact CD-CE1 4.03Å; K30-F56 HydrophobicContact CD-CZ 3.79Å; K30-F56 HydrophobicContact CG-CZ 4.26Å; I40-F56 HydrophobicContact CB-CD2 4.21Å; I40-F56 HydrophobicContact CB-CE2 4.44Å; I40-F56 HydrophobicContact CB-CG 4.27Å; I40-F56 HydrophobicContact CG1-CD1 4.38Å; I40-F56 HydrophobicContact CG1-CD2 4.29Å; I40-F56 HydrophobicContact CG1-CE1 4.16Å; I40-F56 HydrophobicContact CG1-CE2 4.05Å; I40-F56 HydrophobicContact CG1-CG 4.43Å; I40-F56 HydrophobicContact CG1-CZ 3.98Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 3.86Å; I40-F56 HydrophobicContact CG2-CD2 4.05Å; I40-F56 HydrophobicContact CG2-CE1 4.47Å; I40-F56 HydrophobicContact CG2-CG 3.61Å; N53-F56 HydrophobicContact CB-CD2 4.01Å; N53-F56 PolarHBondContact O-N 2.9Å; E54-F56 VanDerWaalsContact C-N 3.25Å; E54-F56 PolarHBondContact O-N 3.29Å; F56-G58 PolarHBondContact O-N 3.02Å; F56-R59 PolarHBondContact O-N 3.11Å; F56-A60 HydrophobicContact CB-CB 4.07Å; F56-A60 PolarHBondContact O-N 3.3Å; F56-L75 HydrophobicContact CD1-CD1 4.18Å
57	K	94.6	Very high	96.4	Very high	118 Å²	118	66.1 Å²	66.1	51%	0.513	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	130.2	176.9	-162.9	177	-169.8	173.6	0	110	N53 E54 R59	N53-K57 PolarHBondContact O-N 2.82Å; N53-K57 VanDerWaalsContact O-N 3.11Å; E54-K57 IonicContact OE1-NZ 3.29Å; E54-K57 PolarHBondContact OE1-NZ 3.36Å; E54-K57 WeakPolarHBondContact OE2-CD 3.5Å; E54-K57 IonicContact OE2-NZ 3.66Å; E54-K57 PolarHBondContact OE2-NZ 2.88Å; K57-R59 VanDerWaalsContact C-N 3.26Å; K57-R59 PolarHBondContact O-N 3.06Å
58	G	94.8	Very high	96.3	Very high	78 Å²	78	64.6 Å²	64.6	80%	0.804	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	-8.7	-175.5	0	0	0	0	0	115.3	F56	F56-G58 PolarHBondContact O-N 3.02Å
59	R	96.1	Very high	96.4	Very high	66 Å²	66	65.5 Å²	65.5	25%	0.249	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-37.3	173.4	-63.2	-179	63.1	-155	-2	112.8	F56 K57 L75 S76 S77 D82	F56-R59 PolarHBondContact O-N 3.11Å; K57-R59 VanDerWaalsContact C-N 3.26Å; K57-R59 PolarHBondContact O-N 3.06Å; R59-L75 HydrophobicContact CB-CD1 4.07Å; R59-S76 PolarHBondContact NE-O 2.83Å; R59-S76 PolarHBondContact NH2-O 3.29Å; R59-S76 PolarHBondContact O-N 2.88Å; R59-S76 PolarHBondContact O-OG 3.35Å; R59-S76 VanDerWaalsContact O-OG 3.04Å; R59-S77 PolarHBondContact NH2-O 3.31Å; R59-D82 IonicContact CZ-OD2 3.68Å; R59-D82 IonicContact NH1-OD1 3.98Å; R59-D82 IonicContact NH1-OD2 2.83Å; R59-D82 IonicContact NH2-OD1 2.67Å; R59-D82 IonicContact NH2-OD2 3.62Å; R59-D82 PolarHBondContact NH2-OD2 2.91Å
60	A	97.6	Very high	96.4	Very high	4 Å²	4	63.3 Å²	63.3	3%	0.033	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	138.1	176.3	0	0	0	0	0	110.7	I40 Y52 F56 F62 Q74 L75	I40-A60 HydrophobicContact CG2-CB 4.01Å; Y52-A60 HydrophobicContact CE1-CB 4.47Å; Y52-A60 VanDerWaalsContact CE1-O 3.24Å; Y52-A60 WeakPolarHBondContact CE1-O 3.22Å; F56-A60 HydrophobicContact CB-CB 4.07Å; F56-A60 PolarHBondContact O-N 3.3Å; A60-F62 HydrophobicContact CB-CE1 4.05Å; A60-F62 HydrophobicContact CB-CZ 4.09Å; A60-Q74 CarbonylContact C-O 3.45Å; A60-Q74 VanDerWaalsContact CA-O 3.31Å; A60-Q74 WeakPolarHBondContact CA-O 3.41Å; A60-L75 HydrophobicContact CB-CD1 4.19Å
61	T	98.1	Very high	96.4	Very high	71 Å²	71	61 Å²	61	44%	0.436	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125.3	172	-58.9	0	0	0	0	108.5	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.42Å; T61-M73 WeakPolarHBondContact O-CA 3Å; T61-Q74 PolarHBondContact N-O 2.96Å; T61-Q74 PolarHBondContact O-N 2.94Å
62	F	98.3	Very high	96.5	Very high	11 Å²	11	60 Å²	60	5%	0.048	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	134.4	176.4	-48.1	-48.7	0	0	0	110.8	W28 I40 I43 T50 N51 Y52 A60 Y72 M73	W28-F62 HydrophobicContact CB-CE1 4.26Å; W28-F62 AromaticContact CD1-CD1 3.54Å; W28-F62 AromaticContact CD1-CE1 3.6Å; W28-F62 HydrophobicContact CG-CD1 4.33Å; W28-F62 HydrophobicContact CG-CE1 4.06Å; W28-F62 AromaticContact NE1-CD1 3.85Å; I40-F62 HydrophobicContact CG2-CE1 4.16Å; I40-F62 HydrophobicContact CG2-CZ 3.91Å; I43-F62 HydrophobicContact CB-CB 3.93Å; I43-F62 HydrophobicContact CD1-CB 4.11Å; I43-F62 HydrophobicContact CG2-CB 4.24Å; T50-F62 HydrophobicContact CG2-CB 4Å; T50-F62 HydrophobicContact CG2-CD2 4.14Å; N51-F62 WeakPolarHBondContact O-CE2 3.37Å; Y52-F62 HydrophobicContact CD1-CD2 4.09Å; Y52-F62 AromaticContact CD1-CE2 3.38Å; Y52-F62 HydrophobicContact CD1-CE2 3.38Å; Y52-F62 AromaticContact CD1-CZ 3.9Å; Y52-F62 HydrophobicContact CD1-CZ 3.9Å; Y52-F62 AromaticContact CE1-CD2 3.48Å; Y52-F62 HydrophobicContact CE1-CD2 3.48Å; Y52-F62 VanDerWaalsContact CE1-CD2 3.48Å; Y52-F62 AromaticContact CE1-CE2 3.23Å; Y52-F62 HydrophobicContact CE1-CE2 3.23Å; Y52-F62 HydrophobicContact CE1-CG 4.27Å; Y52-F62 AromaticContact CE1-CZ 3.88Å; Y52-F62 HydrophobicContact CE1-CZ 3.88Å; Y52-F62 HydrophobicContact CG-CE2 4.15Å; Y52-F62 AromaticContact CZ-CD2 3.74Å; Y52-F62 AromaticContact CZ-CE2 3.91Å; A60-F62 HydrophobicContact CB-CE1 4.05Å; A60-F62 HydrophobicContact CB-CZ 4.09Å; F62-Y72 WeakPolarHBondContact CA-O 2.98Å; F62-M73 HydrophobicContact CD1-CB 3.9Å; F62-M73 HydrophobicContact CD1-CG 3.82Å; F62-M73 HydrophobicContact CE1-CB 4.11Å; F62-M73 HydrophobicContact CE1-CG 3.61Å; F62-M73 HydrophobicContact CE1-SD 4.05Å
63	T	98	Very high	96.5	Very high	65 Å²	65	56.8 Å²	56.8	40%	0.399	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	160.3	174.1	54.2	0	0	0	0	109.6	T61 A71 Y72	T61-T63 HydrophobicContact CG2-CG2 4.42Å; T63-A71 CarbonylContact O-C 3.59Å; T63-Y72 PolarHBondContact N-O 2.88Å; T63-Y72 PolarHBondContact O-N 2.81Å
64	A	97.8	Very high	96.6	Very high	38 Å²	38	58.9 Å²	58.9	31%	0.314	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	145	176.1	0	0	0	0	0	111	F21 I43 P45 T70	F21-A64 HydrophobicContact CE1-CB 4.15Å; F21-A64 HydrophobicContact CZ-CB 4.19Å; I43-A64 HydrophobicContact CD1-CB 4.07Å; P45-A64 HydrophobicContact CB-CB 3.66Å; P45-A64 HydrophobicContact CG-CB 4.08Å; A64-T70 WeakPolarHBondContact CA-O 3.47Å
65	D	96.9	Very high	96.6	Very high	55 Å²	55	52.6 Å²	52.6	29%	0.294	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	107.8	171.5	173.9	8.1	0	0	0	108.3	S67 S68 N69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 WeakPolarHBondContact OD1-CB 3.19Å; D65-S67 PolarHBondContact OD1-N 3.19Å; D65-S67 PolarHBondContact OD1-OG 2.86Å; D65-S67 PolarHBondContact OD2-OG 2.8Å; D65-S68 WeakPolarHBondContact CB-OG 3.33Å; D65-S68 PolarHBondContact OD1-N 2.8Å; D65-S68 WeakPolarHBondContact OD2-CB 3.5Å; D65-S68 PolarHBondContact OD2-OG 2.9Å; D65-N69 WeakPolarHBondContact O-CA 3.25Å; D65-N69 PolarHBondContact O-N 3.12Å; D65-T70 PolarHBondContact N-O 2.94Å; D65-T70 PolarHBondContact O-N 2.83Å; D65-Y72 HydrophobicContact CB-CE2 4.24Å
66	T	95.5	Very high	96.8	Very high	76 Å²	76	46.6 Å²	46.6	47%	0.466	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-18.1	-178.8	52.4	0	0	0	0	112.8	P45 N69	P45-T66 HydrophobicContact CB-CG2 4.12Å; T66-N69 PolarHBondContact O-OD1 2.96Å
67	S	94.6	Very high	96.8	Very high	104 Å²	104	49.7 Å²	49.7	73%	0.727	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-37.7	175.7	74.8	0	0	0	0	111.6	D65	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 WeakPolarHBondContact OD1-CB 3.19Å; D65-S67 PolarHBondContact OD1-N 3.19Å; D65-S67 PolarHBondContact OD1-OG 2.86Å; D65-S67 PolarHBondContact OD2-OG 2.8Å
68	S	96.1	Very high	96.8	Very high	40 Å²	40	44.2 Å²	44.2	28%	0.28	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	1.7	177.6	67.7	0	0	0	0	113.9	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.33Å; D65-S68 PolarHBondContact OD1-N 2.8Å; D65-S68 WeakPolarHBondContact OD2-CB 3.5Å; D65-S68 PolarHBondContact OD2-OG 2.9Å; S68-T70 VanDerWaalsContact C-N 3.25Å; S68-T70 PolarHBondContact O-N 2.95Å; S68-T70 PolarHBondContact O-OG1 2.93Å; S68-T70 VanDerWaalsContact O-OG1 3.05Å; S68-T70 PolarHBondContact OG-OG1 2.9Å
69	N	96.2	Very high	96.8	Very high	63 Å²	63	43.1 Å²	43.1	34%	0.337	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	43	-174.4	-65.9	-40.7	0	0	0	113	A16 F21 D65 T66	A16-N69 HydrophobicContact CB-CB 4.29Å; A16-N69 PolarHBondContact N-O 2.94Å; F21-N69 HydrophobicContact CB-CB 3.94Å; F21-N69 WeakPolarHBondContact CB-OD1 3.1Å; F21-N69 HydrophobicContact CD1-CB 4.15Å; F21-N69 HydrophobicContact CG-CB 4.03Å; D65-N69 WeakPolarHBondContact O-CA 3.25Å; D65-N69 PolarHBondContact O-N 3.12Å; T66-N69 PolarHBondContact O-OD1 2.96Å
70	T	97.6	Very high	96.6	Very high	11 Å²	11	44.1 Å²	44.1	7%	0.067	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.6	-174.9	-54.4	0	0	0	0	111.3	C14 A64 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.48Å; C14-T70 WeakPolarHBondContact O-CA 3.5Å; A64-T70 WeakPolarHBondContact CA-O 3.47Å; D65-T70 PolarHBondContact N-O 2.94Å; D65-T70 PolarHBondContact O-N 2.83Å; S68-T70 VanDerWaalsContact C-N 3.25Å; S68-T70 PolarHBondContact O-N 2.95Å; S68-T70 PolarHBondContact O-OG1 2.93Å; S68-T70 VanDerWaalsContact O-OG1 3.05Å; S68-T70 PolarHBondContact OG-OG1 2.9Å; T70-Y72 HydrophobicContact CG2-CD1 4.29Å; T70-Y72 HydrophobicContact CG2-CD2 4.48Å; T70-Y72 HydrophobicContact CG2-CE1 3.64Å; T70-Y72 HydrophobicContact CG2-CE2 3.84Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.24Å; T70-Y72 WeakPolarHBondContact O-CE2 3.22Å
71	A	97.7	Very high	96.4	Very high	0 Å²	0	50 Å²	50	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	151.7	168.5	0	0	0	0	0	109.8	S13 C14 F21 I26 W28 I43 T63	S13-A71 CarbonylContact C-O 3.56Å; S13-A71 WeakPolarHBondContact CA-O 3.42Å; C14-A71 HydrophobicContact CB-CB 4.42Å; C14-A71 PolarHBondContact N-O 2.75Å; C14-A71 PolarHBondContact O-N 3.41Å; F21-A71 HydrophobicContact CE2-CB 4.16Å; F21-A71 HydrophobicContact CZ-CB 3.83Å; I26-A71 HydrophobicContact CB-CB 4.2Å; I26-A71 HydrophobicContact CG1-CB 4.28Å; I26-A71 HydrophobicContact CG2-CB 3.84Å; W28-A71 HydrophobicContact CZ2-CB 4.13Å; I43-A71 HydrophobicContact CG2-CB 4.44Å; T63-A71 CarbonylContact O-C 3.59Å
72	Y	98.1	Very high	96.2	Very high	55 Å²	55	46.8 Å²	46.8	22%	0.216	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	138.5	176.3	-53.3	-88.2	0	0	0	110.6	K11 I12 F62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.43Å; K11-Y72 HydrophobicContact CG-CD1 4.43Å; I12-Y72 CarbonylContact O-C 3.47Å; I12-Y72 VanDerWaalsContact O-CA 3.24Å; I12-Y72 WeakPolarHBondContact O-CA 3.35Å; F62-Y72 WeakPolarHBondContact CA-O 2.98Å; T63-Y72 PolarHBondContact N-O 2.88Å; T63-Y72 PolarHBondContact O-N 2.81Å; D65-Y72 HydrophobicContact CB-CE2 4.24Å; T70-Y72 HydrophobicContact CG2-CD1 4.29Å; T70-Y72 HydrophobicContact CG2-CD2 4.48Å; T70-Y72 HydrophobicContact CG2-CE1 3.64Å; T70-Y72 HydrophobicContact CG2-CE2 3.84Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.24Å; T70-Y72 WeakPolarHBondContact O-CE2 3.22Å
73	M	98	Very high	96.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.3	163.1	174.3	-168.1	77.5	0	0	108.3	K11 I12 W28 I40 T61 F62 L75 Y86	K11-M73 CarbonylContact C-O 3.52Å; K11-M73 WeakPolarHBondContact CA-O 3.4Å; I12-M73 HydrophobicContact CB-CE 4.38Å; I12-M73 HydrophobicContact CD1-CE 3.59Å; I12-M73 HydrophobicContact CG1-CE 4.03Å; I12-M73 PolarHBondContact N-O 3.37Å; I12-M73 PolarHBondContact O-N 3.26Å; W28-M73 HydrophobicContact CB-SD 4.04Å; W28-M73 HydrophobicContact CD2-CB 3.53Å; W28-M73 HydrophobicContact CD2-CG 4.42Å; W28-M73 HydrophobicContact CD2-SD 4.28Å; W28-M73 VanDerWaalsContact CE2-CB 3.5Å; W28-M73 HydrophobicContact CE3-CB 3.89Å; W28-M73 HydrophobicContact CE3-SD 4.38Å; W28-M73 HydrophobicContact CG-CB 3.96Å; W28-M73 HydrophobicContact CG-CG 4.46Å; W28-M73 HydrophobicContact CG-SD 4.14Å; W28-M73 HydrophobicContact CH2-CB 4.14Å; W28-M73 HydrophobicContact CZ2-CB 3.83Å; W28-M73 VanDerWaalsContact CZ2-N 3.34Å; W28-M73 HydrophobicContact CZ3-CB 4.17Å; I40-M73 HydrophobicContact CD1-CE 4.36Å; I40-M73 HydrophobicContact CD1-SD 3.71Å; I40-M73 HydrophobicContact CG2-SD 4Å; T61-M73 WeakPolarHBondContact O-CA 3Å; F62-M73 HydrophobicContact CD1-CB 3.9Å; F62-M73 HydrophobicContact CD1-CG 3.82Å; F62-M73 HydrophobicContact CE1-CB 4.11Å; F62-M73 HydrophobicContact CE1-CG 3.61Å; F62-M73 HydrophobicContact CE1-SD 4.05Å; M73-L75 HydrophobicContact CE-CB 4.29Å; M73-Y86 HydrophobicContact CE-CD1 3.65Å; M73-Y86 HydrophobicContact CE-CE1 3.94Å; M73-Y86 HydrophobicContact CE-CG 4.46Å
74	Q	98	Very high	96.1	Very high	88 Å²	88	44.8 Å²	44.8	41%	0.411	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	128.5	163.9	-175.4	172.7	-5.7	0	0	108.8	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 VanDerWaalsContact O-CA 3.27Å; V10-Q74 WeakPolarHBondContact O-CA 3.36Å; A60-Q74 CarbonylContact C-O 3.45Å; A60-Q74 VanDerWaalsContact CA-O 3.31Å; A60-Q74 WeakPolarHBondContact CA-O 3.41Å; T61-Q74 PolarHBondContact N-O 2.96Å; T61-Q74 PolarHBondContact O-N 2.94Å
75	L	97.2	Very high	96.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.9	173.8	-177.1	66.6	0	0	0	108.7	S9 V10 F56 R59 A60 M73 L78 D82 Y86	S9-L75 CarbonylContact C-O 3.5Å; S9-L75 VanDerWaalsContact CA-O 3.25Å; S9-L75 WeakPolarHBondContact CA-O 3.46Å; V10-L75 HydrophobicContact CG1-CB 4.05Å; V10-L75 PolarHBondContact N-O 2.81Å; V10-L75 PolarHBondContact O-N 3.28Å; F56-L75 HydrophobicContact CD1-CD1 4.18Å; R59-L75 HydrophobicContact CB-CD1 4.07Å; A60-L75 HydrophobicContact CB-CD1 4.19Å; M73-L75 HydrophobicContact CE-CB 4.29Å; L75-L78 HydrophobicContact CB-CD2 4.4Å; L75-L78 HydrophobicContact CD2-CD2 3.66Å; L75-L78 HydrophobicContact CG-CD2 3.9Å; L75-D82 HydrophobicContact CD2-CB 4.45Å; L75-Y86 HydrophobicContact CD2-CE1 4.02Å; L75-Y86 WeakPolarHBondContact CD2-OH 3.27Å
76	S	96.7	Very high	96.1	Very high	30 Å²	30	42.3 Å²	42.3	21%	0.21	25%	0.251	C	S	.	.			trans	-103.1	163.3	-176.6	66.6	0	0	0	0	113.2	S9 R59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.17Å; R59-S76 PolarHBondContact NE-O 2.83Å; R59-S76 PolarHBondContact NH2-O 3.29Å; R59-S76 PolarHBondContact O-N 2.88Å; R59-S76 PolarHBondContact O-OG 3.35Å; R59-S76 VanDerWaalsContact O-OG 3.04Å; S76-L78 PolarHBondContact O-N 3.04Å
77	S	95.1	Very high	96.2	Very high	71 Å²	71	40.8 Å²	40.8	50%	0.497	24%	0.237	S	C	.	.	S	Bend	trans	53.6	51.5	176.4	-55.9	0	0	0	0	111.9	A8 R59	A8-S77 PolarHBondContact O-N 3.25Å; R59-S77 PolarHBondContact NH2-O 3.31Å
78	L	95.4	Very high	96.3	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	21%	0.208	C	C	.	.			trans	-59.2	138.6	-175.5	-71.2	173	0	0	0	112.2	M4 P6 G7 A8 V10 L75 S76 D82 V108	M4-L78 HydrophobicContact CB-CD1 3.87Å; M4-L78 HydrophobicContact CG-CD1 3.89Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.4Å; G7-L78 PolarHBondContact N-O 3.01Å; A8-L78 WeakPolarHBondContact O-CB 2.96Å; A8-L78 WeakPolarHBondContact O-CG 3.38Å; A8-L78 PolarHBondContact O-N 2.86Å; V10-L78 HydrophobicContact CB-CD1 3.98Å; V10-L78 HydrophobicContact CG1-CD1 3.93Å; V10-L78 HydrophobicContact CG1-CD2 4.07Å; V10-L78 HydrophobicContact CG1-CG 4.49Å; L75-L78 HydrophobicContact CB-CD2 4.4Å; L75-L78 HydrophobicContact CD2-CD2 3.66Å; L75-L78 HydrophobicContact CG-CD2 3.9Å; S76-L78 PolarHBondContact O-N 3.04Å; L78-D82 HydrophobicContact CD2-CB 3.76Å; L78-V108 HydrophobicContact CB-CG1 4.1Å; L78-V108 HydrophobicContact CB-CG2 3.97Å; L78-V108 HydrophobicContact CD1-CG2 4.18Å; L78-V108 HydrophobicContact CD2-CG2 4.45Å; L78-V108 HydrophobicContact CG-CG2 4.44Å
79	T	94.3	Very high	96.2	Very high	56 Å²	56	34.8 Å²	34.8	34%	0.344	20%	0.195	S	C	.	.			trans	-117	170.5	171.6	72.4	0	0	0	0	110.4	E81 D82 V108	T79-E81 PolarHBondContact O-N 3.38Å; T79-E81 VanDerWaalsContact O-N 3.17Å; T79-E81 PolarHBondContact OG1-N 2.03Å; T79-D82 PolarHBondContact N-OD2 2.81Å; T79-D82 WeakPolarHBondContact O-CB 3.24Å; T79-D82 PolarHBondContact O-N 2.78Å; T79-D82 PolarHBondContact OG1-OD2 3.4Å; T79-V108 VanDerWaalsContact O-CB 3.29Å; T79-V108 WeakPolarHBondContact O-CB 3.48Å; T79-V108 WeakPolarHBondContact O-CG1 3.32Å; T79-V108 WeakPolarHBondContact O-CG2 3.26Å
80	S	92.6	Very high	96	Very high	86 Å²	86	33.3 Å²	33.3	60%	0.601	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-56.3	-30.2	175	50	0	0	0	0	112.7	D82 S83	S80-D82 PolarHBondContact O-N 2.79Å; S80-S83 VanDerWaalsContact O-CB 3.3Å; S80-S83 WeakPolarHBondContact O-CB 3.5Å; S80-S83 PolarHBondContact O-N 2.86Å; S80-S83 VanDerWaalsContact O-N 3.12Å; S80-S83 PolarHBondContact O-OG 2.96Å
81	E	92	Very high	95.4	Very high	128 Å²	128	35.6 Å²	35.6	60%	0.598	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-70.8	-11.1	176.8	-58.3	-172	167	0	0	114.1	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 3.01Å; K30-E81 VanDerWaalsContact NZ-O 3.11Å; R32-E81 WeakPolarHBondContact CD-O 3.43Å; T79-E81 PolarHBondContact O-N 3.38Å; T79-E81 VanDerWaalsContact O-N 3.17Å; T79-E81 PolarHBondContact OG1-N 2.03Å; E81-S83 VanDerWaalsContact C-N 3.29Å
82	D	94.9	Very high	94.5	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.016	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-87.5	0.8	172.4	-63	-48.6	0	0	0	112.4	K30 R59 L75 L78 T79 S80 A84 Y86 V108	K30-D82 IonicContact NZ-OD1 3.29Å; K30-D82 PolarHBondContact NZ-OD1 3.29Å; R59-D82 IonicContact CZ-OD2 3.68Å; R59-D82 IonicContact NH1-OD1 3.98Å; R59-D82 IonicContact NH1-OD2 2.83Å; R59-D82 IonicContact NH2-OD1 2.67Å; R59-D82 IonicContact NH2-OD2 3.62Å; R59-D82 PolarHBondContact NH2-OD2 2.91Å; L75-D82 HydrophobicContact CD2-CB 4.45Å; L78-D82 HydrophobicContact CD2-CB 3.76Å; T79-D82 PolarHBondContact N-OD2 2.81Å; T79-D82 WeakPolarHBondContact O-CB 3.24Å; T79-D82 PolarHBondContact O-N 2.78Å; T79-D82 PolarHBondContact OG1-OD2 3.4Å; S80-D82 PolarHBondContact O-N 2.79Å; D82-A84 PolarHBondContact O-N 2.86Å; D82-Y86 WeakPolarHBondContact CB-OH 3.46Å; D82-Y86 WeakPolarHBondContact O-CE2 3.31Å; D82-Y86 PolarHBondContact O-OH 2.84Å; D82-V108 HydrophobicContact CB-CG2 4.33Å
83	S	96.3	Very high	93.1	Very high	34 Å²	34	42.7 Å²	42.7	24%	0.238	24%	0.236	C	C	.	.			trans	-67.5	106.8	169.7	-58	0	0	0	0	110.3	S80 E81 V106 V108	S80-S83 VanDerWaalsContact O-CB 3.3Å; S80-S83 WeakPolarHBondContact O-CB 3.5Å; S80-S83 PolarHBondContact O-N 2.86Å; S80-S83 VanDerWaalsContact O-N 3.12Å; S80-S83 PolarHBondContact O-OG 2.96Å; E81-S83 VanDerWaalsContact C-N 3.29Å; S83-V106 WeakPolarHBondContact CA-O 3.36Å; S83-V108 PolarHBondContact OG-N 2.91Å; S83-V108 PolarHBondContact OG-O 2.82Å
84	A	97	Very high	92	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.008	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	166.9	-171.8	0	0	0	0	0	111.2	K30 Q31 R32 D82 Y86 V106	K30-A84 HydrophobicContact CB-CB 4.06Å; K30-A84 HydrophobicContact CD-CB 4.42Å; Q31-A84 WeakPolarHBondContact O-CA 3.35Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.47Å; R32-A84 HydrophobicContact CG-CB 4.05Å; D82-A84 PolarHBondContact O-N 2.86Å; A84-Y86 HydrophobicContact CB-CD2 4.32Å; A84-Y86 HydrophobicContact CB-CE2 3.87Å; A84-Y86 WeakPolarHBondContact O-CD2 3.42Å; A84-V106 PolarHBondContact N-O 3.02Å; A84-V106 VanDerWaalsContact N-O 3.07Å; A84-V106 PolarHBondContact O-N 2.6Å
85	V	97.6	Very high	90.7	Very high	39 Å²	39	54.5 Å²	54.5	24%	0.236	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	126.9	160.4	-171.2	0	0	0	0	108.2	K30 Q31 Y87 L105	K30-V85 CarbonylContact C-O 3.56Å; K30-V85 WeakPolarHBondContact CA-O 3.48Å; Q31-V85 PolarHBondContact N-O 3.01Å; Q31-V85 PolarHBondContact O-N 2.97Å; V85-Y87 HydrophobicContact CB-CE2 3.77Å; V85-Y87 HydrophobicContact CG1-CD1 4.49Å; V85-Y87 HydrophobicContact CG1-CD2 4.32Å; V85-Y87 HydrophobicContact CG1-CE1 3.82Å; V85-Y87 HydrophobicContact CG1-CE2 3.62Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.27Å; V85-L105 HydrophobicContact CG2-CD1 4.09Å
86	Y	97.7	Very high	89.5	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.8	178.7	-72	-96.7	0	0	0	109.9	I12 V29 K30 I40 M73 L75 D82 A84 G103 T104 V106	I12-Y86 HydrophobicContact CD1-CD1 3.92Å; I12-Y86 HydrophobicContact CD1-CD2 3.9Å; I12-Y86 HydrophobicContact CD1-CG 3.46Å; I12-Y86 VanDerWaalsContact CD1-CG 3.46Å; V29-Y86 CarbonylContact O-C 3.56Å; V29-Y86 WeakPolarHBondContact O-CA 3.38Å; K30-Y86 HydrophobicContact CB-CD1 3.83Å; K30-Y86 HydrophobicContact CB-CE1 3.73Å; K30-Y86 HydrophobicContact CB-CG 4.41Å; K30-Y86 HydrophobicContact CD-CE1 4.22Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.77Å; M73-Y86 HydrophobicContact CE-CD1 3.65Å; M73-Y86 HydrophobicContact CE-CE1 3.94Å; M73-Y86 HydrophobicContact CE-CG 4.46Å; L75-Y86 HydrophobicContact CD2-CE1 4.02Å; L75-Y86 WeakPolarHBondContact CD2-OH 3.27Å; D82-Y86 WeakPolarHBondContact CB-OH 3.46Å; D82-Y86 WeakPolarHBondContact O-CE2 3.31Å; D82-Y86 PolarHBondContact O-OH 2.84Å; A84-Y86 HydrophobicContact CB-CD2 4.32Å; A84-Y86 HydrophobicContact CB-CE2 3.87Å; A84-Y86 WeakPolarHBondContact O-CD2 3.42Å; Y86-G103 CarbonylContact O-C 3.53Å; Y86-G103 WeakPolarHBondContact O-CA 3.42Å; Y86-T104 PolarHBondContact N-O 2.88Å; Y86-T104 PolarHBondContact O-N 2.96Å; Y86-V106 HydrophobicContact CD2-CB 3.94Å; Y86-V106 HydrophobicContact CD2-CG2 3.75Å; Y86-V106 HydrophobicContact CE2-CB 3.8Å; Y86-V106 HydrophobicContact CE2-CG2 4.02Å
87	Y	97.3	Very high	88.5	Confident	44 Å²	44	63.5 Å²	63.5	17%	0.173	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	147.1	-179.7	-57.5	-87.2	0	0	0	109.9	W28 V29 Q31 V85 W100 G103	W28-Y87 WeakPolarHBondContact CA-O 3.28Å; V29-Y87 PolarHBondContact N-O 2.87Å; V29-Y87 PolarHBondContact O-N 3.38Å; Q31-Y87 HydrophobicContact CB-CE2 3.84Å; V85-Y87 HydrophobicContact CB-CE2 3.77Å; V85-Y87 HydrophobicContact CG1-CD1 4.49Å; V85-Y87 HydrophobicContact CG1-CD2 4.32Å; V85-Y87 HydrophobicContact CG1-CE1 3.82Å; V85-Y87 HydrophobicContact CG1-CE2 3.62Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.27Å; Y87-W100 HydrophobicContact CD1-CE3 4.29Å; Y87-W100 HydrophobicContact CD2-CZ3 4.36Å; Y87-W100 AromaticContact CG-CE3 3.95Å; Y87-W100 HydrophobicContact CG-CE3 3.95Å; Y87-W100 HydrophobicContact CG-CZ3 4.03Å; Y87-G103 VanDerWaalsContact CD1-CA 3.44Å
88	C	96.1	Very high	87.8	Confident	16 Å²	16	61.7 Å²	61.7	11%	0.108	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	148.9	156.7	64.7	0	0	0	0	109.4	C14 I26 E27 W28 G101	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 3.35Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.77Å; I26-C88 HydrophobicContact CG2-CB 4.31Å; E27-C88 CarbonylContact O-C 3.59Å; E27-C88 WeakPolarHBondContact O-CA 3.35Å; W28-C88 HydrophobicContact CD2-CB 4.48Å; W28-C88 HydrophobicContact CE3-CB 4.05Å; W28-C88 HydrophobicContact CH2-CB 4.24Å; W28-C88 HydrophobicContact CZ3-CB 3.92Å; C88-G101 PolarHBondContact O-N 3.11Å
89	A	94.8	Very high	87.4	Confident	2 Å²	2	67.8 Å²	67.8	2%	0.017	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	150.6	173.2	0	0	0	0	0	111	I26 E27 F97 Y99 W100	I26-A89 CarbonylContact C-O 3.42Å; I26-A89 WeakPolarHBondContact CA-O 3.18Å; E27-A89 HydrophobicContact CB-CB 4.48Å; E27-A89 PolarHBondContact N-O 3.49Å; E27-A89 PolarHBondContact O-N 2.83Å; A89-F97 HydrophobicContact CB-CB 4.15Å; A89-F97 HydrophobicContact CB-CD1 3.77Å; A89-F97 HydrophobicContact CB-CG 4.47Å; A89-Y99 CarbonylContact C-O 3.56Å; A89-Y99 WeakPolarHBondContact CA-O 3.09Å; A89-Y99 WeakPolarHBondContact CB-O 3.31Å; A89-W100 HydrophobicContact CB-CD2 3.92Å; A89-W100 HydrophobicContact CB-CE3 4.23Å; A89-W100 HydrophobicContact CB-CG 4.24Å; A89-W100 HydrophobicContact CB-CZ2 4.43Å
90	R	92.4	Very high	87.4	Confident	32 Å²	32	70 Å²	70	12%	0.121	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125.2	170.8	-175.7	-172.5	79.2	179.8	9.4	109	Y19 Y24 A98 Y99	Y19-R90 HydrophobicContact CE2-CG 4.07Å; Y19-R90 VanDerWaalsContact CZ-CD 3.44Å; Y24-R90 HydrophobicContact CD1-CG 4.22Å; Y24-R90 HydrophobicContact CG-CG 4.1Å; R90-A98 PolarHBondContact O-N 2.93Å; R90-Y99 VanDerWaalsContact CZ-CD2 3.48Å; R90-Y99 PolarHBondContact N-O 3.42Å; R90-Y99 VanDerWaalsContact NH2-CZ 3.34Å; R90-Y99 PolarHBondContact O-N 3.32Å
91	R	85.3	Confident	87.4	Confident	58 Å²	58	67.2 Å²	67.2	22%	0.219	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	128.6	169.7	179	172.2	173.4	-165.9	1.6	110.5	Y24 W25 E27 E42	Y24-R91 WeakPolarHBondContact CD1-O 3.29Å; W25-R91 HydrophobicContact CB-CB 4.07Å; W25-R91 PolarHBondContact O-N 3.21Å; E27-R91 HydrophobicContact CG-CB 4.29Å; E42-R91 IonicContact OE1-NH1 3.93Å; E42-R91 IonicContact OE2-NH1 3.9Å
92	E	77.2	Confident	87.5	Confident	67 Å²	67	70 Å²	70	31%	0.313	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	149	170.4	-167.1	171.5	165.5	0	0	109.1	R94 L95 A98	E92-R94 PolarHBondContact O-N 2.77Å; E92-L95 HydrophobicContact CB-CB 4.43Å; E92-L95 PolarHBondContact N-O 3.25Å; E92-L95 CarbonylContact O-C 3.56Å; E92-L95 PolarHBondContact O-N 3.19Å; E92-A98 HydrophobicContact CB-CB 3.78Å
93	V	70.1	Confident	87.5	Confident	137 Å²	137	71.2 Å²	71.2	83%	0.83	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-29.7	-172.9	179.1	0	0	0	0	112.9
94	R	73.4	Confident	87.5	Confident	231 Å²	231	72.2 Å²	72.2	87%	0.872	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-13.2	179.9	-63	-176.7	179.8	-123.3	0.6	114.7	E92	E92-R94 PolarHBondContact O-N 2.77Å
95	L	71.9	Confident	87.5	Confident	105 Å²	105	76 Å²	76	55%	0.55	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	120.3	-171.5	-62.9	174.4	0	0	0	110.9	E92 A98	E92-L95 HydrophobicContact CB-CB 4.43Å; E92-L95 PolarHBondContact N-O 3.25Å; E92-L95 CarbonylContact O-C 3.56Å; E92-L95 PolarHBondContact O-N 3.19Å; L95-A98 HydrophobicContact CB-CB 4.13Å
96	W	72.3	Confident	87.4	Confident	167 Å²	167	74.1 Å²	74.1	63%	0.633	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	139.3	173.4	-64.8	74.1	0	0	0	110.2	A98	W96-A98 VanDerWaalsContact C-N 3.33Å; W96-A98 PolarHBondContact O-N 2.83Å
97	F	75	Confident	87.3	Confident	53 Å²	53	76.5 Å²	76.5	23%	0.232	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	47.7	46.1	179	-49.9	-84.4	0	0	0	115.2	E27 V29 W39 A89 Y99 W100	E27-F97 HydrophobicContact CB-CD1 3.94Å; E27-F97 HydrophobicContact CB-CE1 3.56Å; E27-F97 HydrophobicContact CG-CD1 4.35Å; E27-F97 HydrophobicContact CG-CE1 4Å; E27-F97 WeakPolarHBondContact OE2-CA 3.36Å; E27-F97 WeakPolarHBondContact OE2-CD1 3.43Å; E27-F97 WeakPolarHBondContact OE2-CE1 3.46Å; E27-F97 WeakPolarHBondContact OE2-CG 3.49Å; E27-F97 PolarHBondContact OE2-N 3.35Å; E27-F97 VanDerWaalsContact OE2-N 3.12Å; V29-F97 HydrophobicContact CG2-CD1 3.99Å; V29-F97 HydrophobicContact CG2-CE1 3.43Å; V29-F97 VanDerWaalsContact CG2-CE1 3.43Å; V29-F97 HydrophobicContact CG2-CZ 4.27Å; W39-F97 AromaticContact CD1-CE1 3.66Å; W39-F97 AromaticContact CD1-CZ 3.44Å; W39-F97 VanDerWaalsContact CD1-CZ 3.44Å; W39-F97 HydrophobicContact CG-CZ 4.24Å; A89-F97 HydrophobicContact CB-CB 4.15Å; A89-F97 HydrophobicContact CB-CD1 3.77Å; A89-F97 HydrophobicContact CB-CG 4.47Å; F97-Y99 VanDerWaalsContact C-N 3.32Å; F97-Y99 PolarHBondContact O-N 3.05Å; F97-W100 HydrophobicContact CB-CH2 4.49Å; F97-W100 HydrophobicContact CB-CZ2 3.41Å; F97-W100 VanDerWaalsContact CB-CZ2 3.41Å; F97-W100 AromaticContact CD1-CH2 3.94Å; F97-W100 HydrophobicContact CD1-CH2 3.94Å; F97-W100 AromaticContact CD1-CZ2 3.65Å; F97-W100 HydrophobicContact CD1-CZ2 3.65Å; F97-W100 HydrophobicContact CD2-CZ2 4.49Å; F97-W100 HydrophobicContact CG-CH2 4.32Å; F97-W100 AromaticContact CG-CZ2 3.62Å; F97-W100 HydrophobicContact CG-CZ2 3.62Å; F97-W100 VanDerWaalsContact O-CD1 3.3Å; F97-W100 PolarHBondContact O-NE1 2.98Å
98	A	79.4	Confident	87.2	Confident	32 Å²	32	74.7 Å²	74.7	26%	0.264	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	-31.4	-171.3	0	0	0	0	0	114.1	R90 E92 L95 W96	R90-A98 PolarHBondContact O-N 2.93Å; E92-A98 HydrophobicContact CB-CB 3.78Å; L95-A98 HydrophobicContact CB-CB 4.13Å; W96-A98 VanDerWaalsContact C-N 3.33Å; W96-A98 PolarHBondContact O-N 2.83Å
99	Y	88.3	Confident	86.9	Confident	131 Å²	131	76 Å²	76	51%	0.514	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	127.1	-178.3	-60.3	-98.7	0	0	0	110.4	A89 R90 F97	A89-Y99 CarbonylContact C-O 3.56Å; A89-Y99 WeakPolarHBondContact CA-O 3.09Å; A89-Y99 WeakPolarHBondContact CB-O 3.31Å; R90-Y99 VanDerWaalsContact CZ-CD2 3.48Å; R90-Y99 PolarHBondContact N-O 3.42Å; R90-Y99 VanDerWaalsContact NH2-CZ 3.34Å; R90-Y99 PolarHBondContact O-N 3.32Å; F97-Y99 VanDerWaalsContact C-N 3.32Å; F97-Y99 PolarHBondContact O-N 3.05Å
100	W	93.1	Very high	86	Confident	101 Å²	101	80 Å²	80	38%	0.383	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	142.7	-175.1	-69.4	73.3	0	0	0	112	V29 L37 Y87 A89 F97	V29-W100 HydrophobicContact CB-CH2 3.98Å; V29-W100 HydrophobicContact CB-CZ3 3.86Å; V29-W100 HydrophobicContact CG1-CH2 3.98Å; V29-W100 HydrophobicContact CG1-CZ3 4.11Å; V29-W100 HydrophobicContact CG2-CH2 3.74Å; V29-W100 HydrophobicContact CG2-CZ3 4Å; L37-W100 HydrophobicContact CD1-CH2 3.86Å; L37-W100 HydrophobicContact CD1-CZ2 4.27Å; L37-W100 HydrophobicContact CD2-CH2 4.48Å; Y87-W100 HydrophobicContact CD1-CE3 4.29Å; Y87-W100 HydrophobicContact CD2-CZ3 4.36Å; Y87-W100 AromaticContact CG-CE3 3.95Å; Y87-W100 HydrophobicContact CG-CE3 3.95Å; Y87-W100 HydrophobicContact CG-CZ3 4.03Å; A89-W100 HydrophobicContact CB-CD2 3.92Å; A89-W100 HydrophobicContact CB-CE3 4.23Å; A89-W100 HydrophobicContact CB-CG 4.24Å; A89-W100 HydrophobicContact CB-CZ2 4.43Å; F97-W100 HydrophobicContact CB-CH2 4.49Å; F97-W100 HydrophobicContact CB-CZ2 3.41Å; F97-W100 VanDerWaalsContact CB-CZ2 3.41Å; F97-W100 AromaticContact CD1-CH2 3.94Å; F97-W100 HydrophobicContact CD1-CH2 3.94Å; F97-W100 AromaticContact CD1-CZ2 3.65Å; F97-W100 HydrophobicContact CD1-CZ2 3.65Å; F97-W100 HydrophobicContact CD2-CZ2 4.49Å; F97-W100 HydrophobicContact CG-CH2 4.32Å; F97-W100 AromaticContact CG-CZ2 3.62Å; F97-W100 HydrophobicContact CG-CZ2 3.62Å; F97-W100 VanDerWaalsContact O-CD1 3.3Å; F97-W100 PolarHBondContact O-NE1 2.98Å
101	G	93.4	Very high	84.4	Confident	29 Å²	29	85.4 Å²	85.4	30%	0.299	46%	0.457	S	S	.	.			trans	-72.5	165.2	163.4	0	0	0	0	0	111.9	C88 G103	C88-G101 PolarHBondContact O-N 3.11Å; G101-G103 PolarHBondContact O-N 3.23Å
102	Q	94.1	Very high	84.4	Confident	187 Å²	187	86.8 Å²	86.8	87%	0.874	47%	0.469	S	S	*	.			trans	-66	-17.8	179.9	-65.4	-63	-47.6	0	0	113.8
103	G	94.8	Very high	84.8	Confident	28 Å²	28	87.8 Å²	87.8	29%	0.289	48%	0.477	S	S	.	.			trans	86	154.3	-179.1	0	0	0	0	0	113.4	Y86 Y87 G101	Y86-G103 CarbonylContact O-C 3.53Å; Y86-G103 WeakPolarHBondContact O-CA 3.42Å; Y87-G103 VanDerWaalsContact CD1-CA 3.44Å; G101-G103 PolarHBondContact O-N 3.23Å
104	T	96	Very high	85.6	Confident	55 Å²	55	85.1 Å²	85.1	34%	0.337	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	118.8	179.5	-61.7	0	0	0	0	109	Y86 V106	Y86-T104 PolarHBondContact N-O 2.88Å; Y86-T104 PolarHBondContact O-N 2.96Å; T104-V106 PolarHBondContact O-N 3.4Å
105	L	96.6	Very high	86.3	Confident	79 Å²	79	76.5 Å²	76.5	41%	0.414	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	122	172.8	178	63.9	0	0	0	110.1	A1 E2 V85	A1-L105 CarbonylContact C-O 3.58Å; A1-L105 WeakPolarHBondContact CA-O 3.4Å; A1-L105 HydrophobicContact CB-CB 4.09Å; A1-L105 HydrophobicContact CB-CD2 4.03Å; A1-L105 HydrophobicContact CB-CG 4.25Å; E2-L105 PolarHBondContact N-O 3.01Å; V85-L105 HydrophobicContact CG2-CD1 4.09Å
106	V	96	Very high	87.2	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.7	168.8	178.8	0	0	0	0	107.8	M4 V10 I12 S83 A84 Y86 T104 V108	M4-V106 HydrophobicContact CG-CG1 4.27Å; V10-V106 HydrophobicContact CG2-CG2 4.21Å; I12-V106 HydrophobicContact CD1-CG2 4.01Å; S83-V106 WeakPolarHBondContact CA-O 3.36Å; A84-V106 PolarHBondContact N-O 3.02Å; A84-V106 VanDerWaalsContact N-O 3.07Å; A84-V106 PolarHBondContact O-N 2.6Å; Y86-V106 HydrophobicContact CD2-CB 3.94Å; Y86-V106 HydrophobicContact CD2-CG2 3.75Å; Y86-V106 HydrophobicContact CE2-CB 3.8Å; Y86-V106 HydrophobicContact CE2-CG2 4.02Å; T104-V106 PolarHBondContact O-N 3.4Å; V106-V108 HydrophobicContact CG1-CG2 4.32Å
107	T	96	Very high	88.2	Confident	53 Å²	53	68.6 Å²	68.6	33%	0.325	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	126	177.1	-58.3	0	0	0	0	108.6	E2 L3 M4	E2-T107 PolarHBondContact O-N 3.17Å; L3-T107 CarbonylContact C-O 3.6Å; L3-T107 WeakPolarHBondContact CA-O 3.33Å; L3-T107 HydrophobicContact CD1-CG2 3.91Å; M4-T107 PolarHBondContact N-O 3.4Å
108	V	94.1	Very high	89.1	Confident	5 Å²	5	69.7 Å²	69.7	3%	0.03	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	111.2	178.8	-171.6	0	0	0	0	108.5	M4 P6 L78 T79 D82 S83 V106	M4-V108 HydrophobicContact CB-CG2 4.31Å; M4-V108 WeakPolarHBondContact O-CA 3.42Å; P6-V108 HydrophobicContact CG-CG1 4.27Å; L78-V108 HydrophobicContact CB-CG1 4.1Å; L78-V108 HydrophobicContact CB-CG2 3.97Å; L78-V108 HydrophobicContact CD1-CG2 4.18Å; L78-V108 HydrophobicContact CD2-CG2 4.45Å; L78-V108 HydrophobicContact CG-CG2 4.44Å; T79-V108 VanDerWaalsContact O-CB 3.29Å; T79-V108 WeakPolarHBondContact O-CB 3.48Å; T79-V108 WeakPolarHBondContact O-CG1 3.32Å; T79-V108 WeakPolarHBondContact O-CG2 3.26Å; D82-V108 HydrophobicContact CB-CG2 4.33Å; S83-V108 PolarHBondContact OG-N 2.91Å; S83-V108 PolarHBondContact OG-O 2.82Å; V106-V108 HydrophobicContact CG1-CG2 4.32Å
109	S	91.1	Very high	89.9	Confident	45 Å²	45	72.6 Å²	72.6	32%	0.315	44%	0.438	S	S	.	.			trans	-140.3	137.3	178.8	63.2	0	0	0	0	110.8	L3 M4 A111	L3-S109 WeakPolarHBondContact CD1-OG 3.36Å; M4-S109 PolarHBondContact O-N 2.92Å; S109-A111 PolarHBondContact O-N 2.61Å
110	A	75.8	Confident	90	Very high	84 Å²	84	67.8 Å²	67.8	69%	0.694	43%	0.431	S	S	*	.			trans	-72.5	88.5	158.7	0	0	0	0	0	106.2	P6	P6-A110 HydrophobicContact CG-CB 4.2Å
111	A	59.2	Low	89.7	Confident	147 Å²	147	64.7 Å²	64.7	100%	1.215	44%	0.436	S	S	*	.			trans	-60.5	0	162.5	0	0	0	0	0	109.1	S109	S109-A111 PolarHBondContact O-N 2.61Å

Retrieved 111 of 111 residues in 26.9 ms (Link to these results)

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