X5J4U1_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4U1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 109 aa.

						>X5J4U1_MOUSE|X5J4U1
PSLVKPSQTLSLTCSVSGDSITSGYWNWIRKFPGNKLEYMGYMSYSGTTYYNPSLKSRISITRDTSKNQYYLQLNSVTTEDTATYYCARTSIGYAMDYWGQGTSVTVSS
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	P	62.4	Low	89.8	Confident	146 Å²	146	79.4 Å²	79.4	95%	0.948	47%	0.467	S	S	*	.				0	122.2	0	-16.3	31.3	0	0	0	109.8	S104	P1-S104 CarbonylContact C-O 3.57Å; P1-S104 WeakPolarHBondContact CA-O 2.85Å
2	S	82	Confident	90.4	Very high	52 Å²	52	73.5 Å²	73.5	36%	0.364	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.4	178.3	-57.6	0	0	0	0	109.6	S104 V105 T106	S2-S104 PolarHBondContact N-O 2.81Å; S2-V105 WeakPolarHBondContact O-CA 3.48Å; S2-T106 PolarHBondContact O-N 2.95Å
3	L	88.1	Confident	90.8	Very high	131 Å²	131	73.5 Å²	73.5	69%	0.686	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	125.4	175	-172.9	67.8	0	0	0	109	T106 S108	L3-T106 WeakPolarHBondContact CA-O 3.3Å; L3-T106 HydrophobicContact CD1-CG2 4.12Å; L3-S108 WeakPolarHBondContact CD1-OG 3.49Å
4	V	91.3	Very high	91	Very high	15 Å²	15	69 Å²	69	9%	0.091	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144	-178.1	-173.4	0	0	0	0	109.1	Q8 L10 V77 V105 T106 V107 S108	V4-Q8 HydrophobicContact CG1-CB 3.78Å; V4-L10 HydrophobicContact CG2-CD1 4.17Å; V4-V77 HydrophobicContact CG1-CG2 3.79Å; V4-V105 HydrophobicContact CG2-CG1 4.15Å; V4-T106 PolarHBondContact N-O 2.82Å; V4-V107 VanDerWaalsContact O-CA 3.27Å; V4-V107 WeakPolarHBondContact O-CA 3.43Å; V4-S108 PolarHBondContact O-N 3.42Å
5	K	93.3	Very high	91.1	Very high	124 Å²	124	69.5 Å²	69.5	54%	0.539	42%	0.417	S	S	.	.			trans	-86.8	154	175.7	-65.8	-173.5	177.5	-173	0	111	Q8 V77	K5-Q8 HydrophobicContact CB-CG 4.18Å; K5-Q8 WeakPolarHBondContact O-CB 3.42Å; K5-Q8 WeakPolarHBondContact O-CG 3.4Å; K5-Q8 PolarHBondContact O-N 3.08Å; K5-V77 WeakPolarHBondContact O-CG2 3.44Å
6	P	95.3	Very high	90.9	Very high	53 Å²	53	66.1 Å²	66.1	34%	0.344	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	151.4	173.3	-26.2	34.7	0	0	0	112.8	Q8 V77 V107	P6-Q8 PolarHBondContact O-N 3.37Å; P6-Q8 VanDerWaalsContact O-N 3.1Å; P6-V77 CarbonylContact C-O 3.54Å; P6-V77 WeakPolarHBondContact CA-O 3.5Å; P6-V107 HydrophobicContact CG-CG1 4.23Å
7	S	94.1	Very high	90.7	Very high	101 Å²	101	67.9 Å²	67.9	71%	0.706	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	-1.5	-178.3	-52.4	0	0	0	0	115.7	V77	S7-V77 PolarHBondContact N-O 2.84Å
8	Q	94.8	Very high	90.3	Very high	95 Å²	95	69.4 Å²	69.4	44%	0.444	45%	0.445	S	S	.	.	S	Bend	trans	-79.1	169.5	172.3	-63.6	-171.5	-44.5	0	0	111.7	V4 K5 P6 S76 V77	V4-Q8 HydrophobicContact CG1-CB 3.78Å; K5-Q8 HydrophobicContact CB-CG 4.18Å; K5-Q8 WeakPolarHBondContact O-CB 3.42Å; K5-Q8 WeakPolarHBondContact O-CG 3.4Å; K5-Q8 PolarHBondContact O-N 3.08Å; P6-Q8 PolarHBondContact O-N 3.37Å; P6-Q8 VanDerWaalsContact O-N 3.1Å; Q8-S76 PolarHBondContact O-N 3.22Å; Q8-V77 WeakPolarHBondContact O-CG2 2.97Å; Q8-V77 PolarHBondContact O-N 2.95Å
9	T	95.5	Very high	89.7	Confident	66 Å²	66	68.6 Å²	68.6	41%	0.405	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-97	126.4	171.3	-65.3	0	0	0	0	109.8	Q73 L74 N75	T9-Q73 HydrophobicContact CG2-CG 3.33Å; T9-L74 WeakPolarHBondContact CA-O 3.35Å; T9-N75 WeakPolarHBondContact CG2-OD1 3.19Å; T9-N75 PolarHBondContact OG1-OD1 2.92Å
10	L	95.6	Very high	89.4	Confident	8 Å²	8	67.2 Å²	67.2	4%	0.042	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	127	169.3	170.6	66.6	0	0	0	109.2	V4 L12 Q73 L74 V77 Y85 V105	V4-L10 HydrophobicContact CG2-CD1 4.17Å; L10-L12 HydrophobicContact CD1-CD2 4.02Å; L10-L12 HydrophobicContact CD1-CG 4.04Å; L10-L12 HydrophobicContact CD2-CD1 3.97Å; L10-L12 HydrophobicContact CD2-CG 4.24Å; L10-L12 HydrophobicContact CG-CD1 4.28Å; L10-L12 HydrophobicContact CG-CG 4.01Å; L10-Q73 CarbonylContact O-C 3.49Å; L10-Q73 WeakPolarHBondContact O-CA 3.39Å; L10-L74 HydrophobicContact CB-CB 4.37Å; L10-L74 PolarHBondContact N-O 3.2Å; L10-L74 PolarHBondContact O-N 3.41Å; L10-V77 HydrophobicContact CB-CG1 3.77Å; L10-Y85 HydrophobicContact CD2-CE1 4.37Å; L10-Y85 HydrophobicContact CD2-CE2 4.09Å; L10-V105 HydrophobicContact CD1-CG1 4.01Å; L10-V105 HydrophobicContact CD1-CG2 3.99Å; L10-V105 HydrophobicContact CD2-CB 4.47Å; L10-V105 HydrophobicContact CD2-CG1 4.03Å; L10-V105 HydrophobicContact CD2-CG2 4.14Å
11	S	95.9	Very high	89.2	Confident	82 Å²	82	64.1 Å²	64.1	57%	0.573	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	124	172.5	-64.1	0	0	0	0	109.6	L72	S11-L72 CarbonylContact C-O 3.52Å; S11-L72 WeakPolarHBondContact CA-O 3.38Å
12	L	96.6	Very high	90.3	Very high	9 Å²	9	60.2 Å²	60.2	5%	0.047	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.5	-179.6	-67.9	171.7	0	0	0	110.3	L10 W28 Y71 L72 Y85 T103 V105	L10-L12 HydrophobicContact CD1-CD2 4.02Å; L10-L12 HydrophobicContact CD1-CG 4.04Å; L10-L12 HydrophobicContact CD2-CD1 3.97Å; L10-L12 HydrophobicContact CD2-CG 4.24Å; L10-L12 HydrophobicContact CG-CD1 4.28Å; L10-L12 HydrophobicContact CG-CG 4.01Å; L12-W28 HydrophobicContact CB-CH2 3.77Å; L12-W28 HydrophobicContact CB-CZ2 4.37Å; L12-W28 HydrophobicContact CB-CZ3 4.19Å; L12-W28 HydrophobicContact CD1-CZ3 4.23Å; L12-Y71 VanDerWaalsContact O-CA 3.26Å; L12-Y71 WeakPolarHBondContact O-CA 3.47Å; L12-L72 HydrophobicContact CB-CB 4.32Å; L12-L72 HydrophobicContact CD1-CD2 4.04Å; L12-L72 PolarHBondContact N-O 2.96Å; L12-L72 PolarHBondContact O-N 2.89Å; L12-Y85 VanDerWaalsContact CD1-CB 3.41Å; L12-Y85 HydrophobicContact CD1-CD1 3.68Å; L12-Y85 HydrophobicContact CD1-CD2 4.02Å; L12-Y85 HydrophobicContact CD1-CE1 4.45Å; L12-Y85 HydrophobicContact CD1-CG 3.42Å; L12-Y85 VanDerWaalsContact CD1-CG 3.42Å; L12-T103 HydrophobicContact CD2-CG2 3.73Å; L12-V105 HydrophobicContact CD2-CG2 4.16Å
13	T	95.7	Very high	90.3	Very high	73 Å²	73	60 Å²	60	45%	0.448	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.1	178.5	-57.2	0	0	0	0	109.5	Q69 Y71	T13-Q69 HydrophobicContact CG2-CB 4.39Å; T13-Q69 HydrophobicContact CG2-CG 4.13Å; T13-Y71 HydrophobicContact CG2-CD1 3.86Å; T13-Y71 HydrophobicContact CG2-CE1 3.53Å; T13-Y71 WeakPolarHBondContact OG1-CD1 3.42Å
14	C	93.1	Very high	90.1	Very high	11 Å²	11	53.9 Å²	53.9	7%	0.074	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	114.3	167	178	0	0	0	0	108.3	W28 Q69 Y70 C87	C14-W28 HydrophobicContact CB-CH2 4.03Å; C14-W28 HydrophobicContact CB-CZ2 3.95Å; C14-Q69 WeakPolarHBondContact O-CA 3.12Å; C14-Y70 PolarHBondContact N-O 2.87Å; C14-Y70 PolarHBondContact O-N 3.14Å; C14-C87 HydrophobicContact CB-CB 3.48Å; C14-C87 VanDerWaalsContact CB-CB 3.48Å; C14-C87 WeakPolarHBondContact CB-SG 3.43Å; C14-C87 WeakPolarHBondContact SG-CB 3.25Å; C14-C87 CovalentContact SG-SG 2.03Å; C14-C87 PolarHBondContact SG-SG 3.01Å
15	S	93	Very high	90	Very high	77 Å²	77	57.1 Å²	57.1	54%	0.538	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	123.8	173.6	-58.5	0	0	0	0	108.8	Q69	S15-Q69 PolarHBondContact OG-NE2 2.99Å
16	V	88.3	Confident	89.9	Confident	15 Å²	15	51.4 Å²	51.4	9%	0.091	34%	0.336	C	S	.	.			trans	-96	130.5	-179.2	-179.7	0	0	0	0	109	D19 I21 W26 N68	V16-D19 HydrophobicContact CG1-CB 3.89Å; V16-I21 HydrophobicContact CB-CG2 4Å; V16-I21 HydrophobicContact CG2-CG2 3.55Å; V16-W26 HydrophobicContact CB-CH2 4.13Å; V16-W26 HydrophobicContact CB-CZ2 4.31Å; V16-W26 HydrophobicContact CG1-CH2 3.62Å; V16-W26 HydrophobicContact CG1-CZ2 3.69Å; V16-W26 HydrophobicContact CG2-CD2 4.49Å; V16-W26 HydrophobicContact CG2-CE3 4.2Å; V16-W26 HydrophobicContact CG2-CH2 3.32Å; V16-W26 HydrophobicContact CG2-CZ2 3.66Å; V16-W26 HydrophobicContact CG2-CZ3 3.62Å; V16-N68 PolarHBondContact N-O 2.91Å; V16-N68 VanDerWaalsContact N-O 3.08Å; V16-N68 PolarHBondContact O-ND2 3.24Å
17	S	86.8	Confident	89.8	Confident	96 Å²	96	49.2 Å²	49.2	67%	0.671	32%	0.322	S	S	*	.			trans	-122	141.6	174.9	54.4	0	0	0	0	109.7	D19	S17-D19 PolarHBondContact O-N 2.98Å
18	G	83.1	Confident	89.9	Confident	96 Å²	96	44.6 Å²	44.6	99%	0.99	29%	0.288	S	S	*	.	S	Bend	trans	74.2	1.5	179.9	0	0	0	0	0	115.8
19	D	79.5	Confident	90	Very high	53 Å²	53	40.4 Å²	40.4	28%	0.283	27%	0.269	S	S	.	.	S	Bend	trans	-148.6	173.2	177.6	-161.5	-10.9	0	0	0	109.5	V16 S17 S23 N68 R89	V16-D19 HydrophobicContact CG1-CB 3.89Å; S17-D19 PolarHBondContact O-N 2.98Å; D19-S23 PolarHBondContact OD1-OG 2.78Å; D19-N68 PolarHBondContact O-ND2 2.87Å; D19-R89 IonicContact OD1-CZ 3.72Å; D19-R89 IonicContact OD1-NH1 2.76Å; D19-R89 WeakPolarHBondContact OD2-CD 3.35Å; D19-R89 IonicContact OD2-CZ 2.63Å; D19-R89 IonicContact OD2-NE 3.73Å; D19-R89 PolarHBondContact OD2-NE 2.83Å; D19-R89 IonicContact OD2-NH1 3.18Å; D19-R89 PolarHBondContact OD2-NH1 3.18Å
20	S	84.6	Confident	90	Very high	41 Å²	41	37.8 Å²	37.8	29%	0.287	25%	0.252	S	S	.	.			trans	-110.9	138.5	177.5	-179.8	0	0	0	0	112.3	T22 S23 N68	S20-T22 PolarHBondContact O-N 2.93Å; S20-T22 PolarHBondContact OG-N 3.32Å; S20-T22 VanDerWaalsContact OG-N 3.11Å; S20-T22 PolarHBondContact OG-OG1 3.15Å; S20-S23 PolarHBondContact O-N 2.62Å; S20-S23 VanDerWaalsContact O-N 3.12Å; S20-S23 PolarHBondContact O-OG 3.32Å; S20-N68 WeakPolarHBondContact CA-OD1 3.13Å
21	I	85.6	Confident	90.1	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.015	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-9	170.3	64.8	175	0	0	0	113.6	V16 R63 D64 T65 N68 Q69	V16-I21 HydrophobicContact CB-CG2 4Å; V16-I21 HydrophobicContact CG2-CG2 3.55Å; I21-R63 HydrophobicContact CD1-CB 3.87Å; I21-R63 HydrophobicContact CD1-CG 4.26Å; I21-D64 WeakPolarHBondContact CD1-O 3.33Å; I21-T65 HydrophobicContact CD1-CG2 4.03Å; I21-T65 HydrophobicContact CG1-CG2 4.26Å; I21-N68 WeakPolarHBondContact CG2-OD1 3.14Å; I21-N68 PolarHBondContact N-OD1 2.85Å; I21-Q69 VanDerWaalsContact CD1-O 3.3Å; I21-Q69 WeakPolarHBondContact CD1-O 3.37Å
22	T	85.3	Confident	90.1	Very high	63 Å²	63	38.4 Å²	38.4	39%	0.387	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	6.3	177.9	64.7	0	0	0	0	113.7	S20 Y45 T65	S20-T22 PolarHBondContact O-N 2.93Å; S20-T22 PolarHBondContact OG-N 3.32Å; S20-T22 VanDerWaalsContact OG-N 3.11Å; S20-T22 PolarHBondContact OG-OG1 3.15Å; T22-Y45 WeakPolarHBondContact O-CB 3.45Å; T22-T65 HydrophobicContact CG2-CG2 3.66Å
23	S	81	Confident	89.9	Confident	47 Å²	47	43.1 Å²	43.1	33%	0.329	28%	0.275	S	S	.	.	S	Bend	trans	-96.3	10.7	-176.2	71.2	0	0	0	0	114.5	D19 S20 R89	D19-S23 PolarHBondContact OD1-OG 2.78Å; S20-S23 PolarHBondContact O-N 2.62Å; S20-S23 VanDerWaalsContact O-N 3.12Å; S20-S23 PolarHBondContact O-OG 3.32Å; S23-R89 PolarHBondContact O-NH2 3.02Å; S23-R89 VanDerWaalsContact OG-CZ 3.25Å; S23-R89 PolarHBondContact OG-NE 3.12Å; S23-R89 PolarHBondContact OG-NH2 2.85Å
24	G	84.3	Confident	89.8	Confident	4 Å²	4	43.2 Å²	43.2	4%	0.041	29%	0.29	C	S	.	.	S	Bend	trans	170.5	-148.8	-177.4	0	0	0	0	0	113.8	S44 Y45	G24-S44 CarbonylContact O-C 3.59Å; G24-Y45 WeakPolarHBondContact O-CA 3.29Å; G24-Y45 PolarHBondContact O-N 3.19Å
25	Y	89.1	Confident	89.7	Confident	83 Å²	83	48.2 Å²	48.2	33%	0.325	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	135.7	174.3	-57.3	-96	0	0	0	109.7	Y42 R89 T90	Y25-Y42 AromaticContact CD1-CD2 3.78Å; Y25-Y42 HydrophobicContact CD1-CD2 3.78Å; Y25-Y42 AromaticContact CD1-CE2 3.76Å; Y25-Y42 HydrophobicContact CD1-CE2 3.76Å; Y25-Y42 HydrophobicContact CD1-CG 4.43Å; Y25-Y42 HydrophobicContact CE1-CE2 4.04Å; Y25-R89 WeakPolarHBondContact O-CA 3.09Å; Y25-T90 PolarHBondContact N-O 3.35Å; Y25-T90 PolarHBondContact O-N 2.92Å
26	W	91.4	Very high	89.8	Confident	3 Å²	3	51.3 Å²	51.3	1%	0.011	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.3	172.8	-73.9	86.2	0	0	0	109	V16 Y42 M43 Y70 R89 Y98	V16-W26 HydrophobicContact CB-CH2 4.13Å; V16-W26 HydrophobicContact CB-CZ2 4.31Å; V16-W26 HydrophobicContact CG1-CH2 3.62Å; V16-W26 HydrophobicContact CG1-CZ2 3.69Å; V16-W26 HydrophobicContact CG2-CD2 4.49Å; V16-W26 HydrophobicContact CG2-CE3 4.2Å; V16-W26 HydrophobicContact CG2-CH2 3.32Å; V16-W26 HydrophobicContact CG2-CZ2 3.66Å; V16-W26 HydrophobicContact CG2-CZ3 3.62Å; W26-Y42 CarbonylContact O-C 3.53Å; W26-Y42 WeakPolarHBondContact O-CA 3.5Å; W26-Y42 VanDerWaalsContact O-CB 3.27Å; W26-Y42 WeakPolarHBondContact O-CB 3.37Å; W26-M43 PolarHBondContact N-O 3.33Å; W26-M43 PolarHBondContact O-N 2.94Å; W26-Y70 HydrophobicContact CB-CD1 3.95Å; W26-Y70 HydrophobicContact CB-CD2 4.45Å; W26-Y70 HydrophobicContact CB-CE1 3.74Å; W26-Y70 HydrophobicContact CB-CE2 4.32Å; W26-Y70 HydrophobicContact CB-CG 4.27Å; W26-Y70 PolarHBondContact O-OH 2.67Å; W26-R89 HydrophobicContact CD2-CB 4.33Å; W26-R89 HydrophobicContact CE3-CB 4.27Å; W26-R89 HydrophobicContact CH2-CB 3.91Å; W26-R89 HydrophobicContact CH2-CG 4.44Å; W26-R89 HydrophobicContact CZ2-CB 3.96Å; W26-R89 HydrophobicContact CZ2-CG 3.99Å; W26-R89 HydrophobicContact CZ3-CB 4.06Å; W26-Y98 HydrophobicContact CH2-CD1 4.27Å; W26-Y98 HydrophobicContact CZ3-CD1 4.4Å
27	N	93.4	Very high	90.1	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.043	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	146.8	-169.6	-54.5	-94.1	0	0	0	109.4	Y39 G41 Y42 C87 A88 T90 M96	N27-Y39 HydrophobicContact CB-CE2 4.13Å; N27-G41 CarbonylContact C-O 3.55Å; N27-G41 WeakPolarHBondContact CA-O 3.4Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.23Å; N27-C87 CarbonylContact O-C 3.6Å; N27-C87 VanDerWaalsContact O-CA 3.23Å; N27-C87 WeakPolarHBondContact O-CA 3.48Å; N27-A88 WeakPolarHBondContact CB-O 3.29Å; N27-A88 PolarHBondContact N-O 3.27Å; N27-A88 PolarHBondContact ND2-O 2.87Å; N27-A88 PolarHBondContact O-N 2.97Å; N27-T90 PolarHBondContact ND2-OG1 3.19Å; N27-M96 HydrophobicContact CB-CE 4.11Å
28	W	95.8	Very high	90.5	Very high	3 Å²	3	52.6 Å²	52.6	1%	0.011	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131.7	164.6	-79.6	103.4	0	0	0	110.3	L12 C14 M40 G41 Y70 L72 Y86 C87	L12-W28 HydrophobicContact CB-CH2 3.77Å; L12-W28 HydrophobicContact CB-CZ2 4.37Å; L12-W28 HydrophobicContact CB-CZ3 4.19Å; L12-W28 HydrophobicContact CD1-CZ3 4.23Å; C14-W28 HydrophobicContact CB-CH2 4.03Å; C14-W28 HydrophobicContact CB-CZ2 3.95Å; W28-M40 HydrophobicContact CB-CB 4.03Å; W28-M40 HydrophobicContact CB-SD 4.47Å; W28-M40 WeakPolarHBondContact O-CB 3.43Å; W28-M40 PolarHBondContact O-N 2.75Å; W28-G41 PolarHBondContact N-O 2.9Å; W28-Y70 AromaticContact CD1-CD1 3.9Å; W28-Y70 AromaticContact CD1-CE1 3.15Å; W28-Y70 AromaticContact CD1-CZ 3.67Å; W28-Y70 AromaticContact CE2-CD1 3.86Å; W28-Y70 AromaticContact CE2-CE1 3.92Å; W28-Y70 HydrophobicContact CG-CE1 4.12Å; W28-Y70 HydrophobicContact CZ2-CD1 4.29Å; W28-Y70 AromaticContact NE1-CD1 3.23Å; W28-Y70 AromaticContact NE1-CE1 2.98Å; W28-Y70 AromaticContact NE1-CZ 3.69Å; W28-L72 HydrophobicContact CB-CD2 4.2Å; W28-L72 HydrophobicContact CD2-CB 3.61Å; W28-L72 HydrophobicContact CD2-CD2 3.76Å; W28-L72 HydrophobicContact CD2-CG 4.26Å; W28-L72 HydrophobicContact CE3-CB 4.22Å; W28-L72 HydrophobicContact CE3-CD2 3.79Å; W28-L72 HydrophobicContact CG-CB 3.89Å; W28-L72 HydrophobicContact CG-CD1 4.4Å; W28-L72 HydrophobicContact CG-CD2 3.94Å; W28-L72 HydrophobicContact CG-CG 4.31Å; W28-L72 HydrophobicContact CH2-CB 4.35Å; W28-L72 HydrophobicContact CZ2-CB 3.76Å; W28-L72 HydrophobicContact CZ3-CD2 4.43Å; W28-Y86 WeakPolarHBondContact CA-O 3.27Å; W28-Y86 VanDerWaalsContact CE3-O 3.32Å; W28-C87 HydrophobicContact CH2-CB 4.35Å; W28-C87 HydrophobicContact CZ2-CB 4.45Å; W28-C87 HydrophobicContact CZ3-CB 4.37Å
29	I	96.1	Very high	91.1	Very high	7 Å²	7	51.4 Å²	51.4	4%	0.036	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	138.4	-178.2	-53.9	163.6	0	0	0	107	L37 E38 Y39 Y86 A88 M96 W99	I29-L37 HydrophobicContact CG2-CB 4.42Å; I29-L37 HydrophobicContact CG2-CD2 3.99Å; I29-E38 WeakPolarHBondContact CA-O 3.49Å; I29-Y39 HydrophobicContact CG1-CD2 4.27Å; I29-Y86 PolarHBondContact N-O 2.69Å; I29-Y86 PolarHBondContact O-N 3.02Å; I29-A88 HydrophobicContact CD1-CB 3.97Å; I29-M96 HydrophobicContact CD1-CE 3.65Å; I29-M96 HydrophobicContact CD1-SD 3.44Å; I29-M96 WeakPolarHBondContact CD1-SD 3.36Å; I29-M96 HydrophobicContact CG1-CE 4.49Å; I29-W99 HydrophobicContact CB-CH2 4.3Å; I29-W99 HydrophobicContact CB-CZ3 4.25Å; I29-W99 HydrophobicContact CD1-CH2 3.32Å; I29-W99 HydrophobicContact CD1-CZ2 3.64Å; I29-W99 HydrophobicContact CD1-CZ3 3.84Å; I29-W99 HydrophobicContact CG1-CH2 4.39Å; I29-W99 HydrophobicContact CG2-CH2 4.03Å; I29-W99 HydrophobicContact CG2-CZ3 4.21Å
30	R	96.6	Very high	91.9	Very high	11 Å²	11	48.9 Å²	48.9	4%	0.042	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	143.4	171.9	65.8	-177.7	178	173.7	6.5	111.3	F32 L37 E38 M40 D81 A83 T84 Y85	R30-F32 HydrophobicContact CG-CE2 4.33Å; R30-F32 HydrophobicContact CG-CZ 4.14Å; R30-L37 CarbonylContact O-C 3.58Å; R30-L37 WeakPolarHBondContact O-CA 3.47Å; R30-E38 HydrophobicContact CG-CB 4.1Å; R30-E38 IonicContact CZ-OE2 3.58Å; R30-E38 PolarHBondContact N-O 2.69Å; R30-E38 IonicContact NE-OE2 3.57Å; R30-E38 PolarHBondContact NE-OE2 2.89Å; R30-E38 IonicContact NH2-OE2 3.58Å; R30-E38 PolarHBondContact NH2-OE2 2.98Å; R30-E38 PolarHBondContact O-N 2.96Å; R30-M40 HydrophobicContact CB-SD 3.93Å; R30-M40 HydrophobicContact CG-CG 4.16Å; R30-M40 HydrophobicContact CG-SD 3.94Å; R30-D81 IonicContact CZ-OD1 3.07Å; R30-D81 IonicContact NH1-OD1 3.76Å; R30-D81 PolarHBondContact NH1-OD1 2.63Å; R30-D81 IonicContact NH2-OD1 2.67Å; R30-A83 HydrophobicContact CB-CB 3.91Å; R30-A83 HydrophobicContact CG-CB 4.39Å; R30-T84 CarbonylContact C-O 3.43Å; R30-T84 WeakPolarHBondContact CA-O 3.13Å; R30-Y85 HydrophobicContact CB-CD1 3.79Å; R30-Y85 HydrophobicContact CB-CE1 3.81Å; R30-Y85 HydrophobicContact CB-CG 4.24Å; R30-Y85 HydrophobicContact CG-CE1 4.4Å; R30-Y85 PolarHBondContact NH1-OH 2.64Å
31	K	97.3	Very high	92.4	Very high	65 Å²	65	46.9 Å²	46.9	28%	0.283	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	116.2	178.7	-169.6	-179.4	174.5	-172.7	0	109.1	N35 K36 L37 A83 T84 Y86	K31-N35 WeakPolarHBondContact CE-OD1 3.28Å; K31-N35 PolarHBondContact NZ-OD1 3.48Å; K31-K36 WeakPolarHBondContact CA-O 3.29Å; K31-L37 HydrophobicContact CB-CD2 3.61Å; K31-L37 HydrophobicContact CD-CD2 4.18Å; K31-L37 HydrophobicContact CG-CD2 3.73Å; K31-A83 WeakPolarHBondContact O-CA 3.39Å; K31-A83 WeakPolarHBondContact O-CB 3.26Å; K31-T84 PolarHBondContact N-O 3.4Å; K31-T84 PolarHBondContact O-N 2.89Å; K31-Y86 HydrophobicContact CB-CD2 4.33Å; K31-Y86 HydrophobicContact CB-CE2 3.64Å; K31-Y86 HydrophobicContact CD-CE2 4.3Å
32	F	96.6	Very high	92.8	Very high	38 Å²	38	50 Å²	50	17%	0.167	27%	0.268	C	S	.	.			trans	-77.6	160.8	177.3	-63.1	-73.6	0	0	0	111.7	R30 G34 N35 K36 E38 E80 A83	R30-F32 HydrophobicContact CG-CE2 4.33Å; R30-F32 HydrophobicContact CG-CZ 4.14Å; F32-G34 PolarHBondContact O-N 2.88Å; F32-N35 PolarHBondContact O-N 2.85Å; F32-N35 VanDerWaalsContact O-N 3.08Å; F32-K36 HydrophobicContact CB-CB 4.45Å; F32-K36 HydrophobicContact CD2-CB 4.29Å; F32-K36 HydrophobicContact CD2-CD 4.4Å; F32-K36 HydrophobicContact CD2-CG 4.32Å; F32-K36 WeakPolarHBondContact CD2-O 3.34Å; F32-K36 PolarHBondContact N-O 2.89Å; F32-E38 HydrophobicContact CE2-CB 3.74Å; F32-E38 HydrophobicContact CZ-CB 4.45Å; F32-E80 VanDerWaalsContact CE1-O 3.23Å; F32-E80 WeakPolarHBondContact CE1-O 3.22Å; F32-A83 HydrophobicContact CD1-CB 4Å; F32-A83 HydrophobicContact CE1-CB 4.2Å
33	P	92.1	Very high	93.2	Very high	108 Å²	108	47.7 Å²	47.7	70%	0.701	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	133.8	159.4	-24.1	34.6	0	0	0	110.1
34	G	93.1	Very high	93.7	Very high	75 Å²	75	45.8 Å²	45.8	77%	0.773	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.2	11.7	-172.5	0	0	0	0	0	115.2	F32 K36	F32-G34 PolarHBondContact O-N 2.88Å; G34-K36 VanDerWaalsContact C-N 3.26Å; G34-K36 PolarHBondContact O-N 2.81Å
35	N	90.1	Very high	93.7	Very high	117 Å²	117	52 Å²	52	63%	0.626	26%	0.263	S	S	*	.	S	Bend	trans	67.1	10.7	171.9	-58.3	-59.8	0	0	0	116.6	K31 F32 L37	K31-N35 WeakPolarHBondContact CE-OD1 3.28Å; K31-N35 PolarHBondContact NZ-OD1 3.48Å; F32-N35 PolarHBondContact O-N 2.85Å; F32-N35 VanDerWaalsContact O-N 3.08Å; N35-L37 PolarHBondContact O-N 2.87Å
36	K	94.9	Very high	93.7	Very high	142 Å²	142	51.6 Å²	51.6	62%	0.617	27%	0.272	S	S	*	.			trans	-68.2	127.1	171.1	-176.6	-178.5	177.4	-174	0	110	K31 F32 G34	K31-K36 WeakPolarHBondContact CA-O 3.29Å; F32-K36 HydrophobicContact CB-CB 4.45Å; F32-K36 HydrophobicContact CD2-CB 4.29Å; F32-K36 HydrophobicContact CD2-CD 4.4Å; F32-K36 HydrophobicContact CD2-CG 4.32Å; F32-K36 WeakPolarHBondContact CD2-O 3.34Å; F32-K36 PolarHBondContact N-O 2.89Å; G34-K36 VanDerWaalsContact C-N 3.26Å; G34-K36 PolarHBondContact O-N 2.81Å
37	L	94.9	Very high	93.6	Very high	95 Å²	95	52.9 Å²	52.9	50%	0.497	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	141.7	173.6	-67.8	169.8	0	0	0	110.5	I29 R30 K31 N35 W99	I29-L37 HydrophobicContact CG2-CB 4.42Å; I29-L37 HydrophobicContact CG2-CD2 3.99Å; R30-L37 CarbonylContact O-C 3.58Å; R30-L37 WeakPolarHBondContact O-CA 3.47Å; K31-L37 HydrophobicContact CB-CD2 3.61Å; K31-L37 HydrophobicContact CD-CD2 4.18Å; K31-L37 HydrophobicContact CG-CD2 3.73Å; N35-L37 PolarHBondContact O-N 2.87Å; L37-W99 HydrophobicContact CD1-CH2 4.48Å
38	E	96.4	Very high	93.5	Very high	43 Å²	43	56.6 Å²	56.6	20%	0.201	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	123.9	169.2	-179.2	175.7	-126.3	0	0	109.8	I29 R30 F32	I29-E38 WeakPolarHBondContact CA-O 3.49Å; R30-E38 HydrophobicContact CG-CB 4.1Å; R30-E38 IonicContact CZ-OE2 3.58Å; R30-E38 PolarHBondContact N-O 2.69Å; R30-E38 IonicContact NE-OE2 3.57Å; R30-E38 PolarHBondContact NE-OE2 2.89Å; R30-E38 IonicContact NH2-OE2 3.58Å; R30-E38 PolarHBondContact NH2-OE2 2.98Å; R30-E38 PolarHBondContact O-N 2.96Å; F32-E38 HydrophobicContact CE2-CB 3.74Å; F32-E38 HydrophobicContact CZ-CB 4.45Å
39	Y	95.3	Very high	93.4	Very high	70 Å²	70	58.8 Å²	58.8	28%	0.275	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	130.3	174.1	175.1	-101.2	0	0	0	110.1	N27 I29 G41 Y42 Y50 N52	N27-Y39 HydrophobicContact CB-CE2 4.13Å; I29-Y39 HydrophobicContact CG1-CD2 4.27Å; Y39-G41 VanDerWaalsContact CZ-C 3.45Å; Y39-G41 VanDerWaalsContact CZ-CA 3.49Å; Y39-G41 WeakPolarHBondContact OH-CA 3.43Å; Y39-G41 PolarHBondContact OH-O 2.93Å; Y39-Y42 VanDerWaalsContact OH-CB 3.27Å; Y39-Y42 WeakPolarHBondContact OH-CB 3.45Å; Y39-Y42 WeakPolarHBondContact OH-CD1 3.27Å; Y39-Y42 PolarHBondContact OH-N 3.5Å; Y39-Y50 HydrophobicContact CE1-CD1 4.03Å; Y39-Y50 HydrophobicContact CE1-CE1 4.1Å; Y39-N52 WeakPolarHBondContact O-CB 3.33Å; Y39-N52 PolarHBondContact O-ND2 3.07Å
40	M	96.7	Very high	93.4	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-36.8	-174.3	-60.8	-176.5	70.5	0	0	112.6	W28 R30 N52 L55 I59 L72 Y85	W28-M40 HydrophobicContact CB-CB 4.03Å; W28-M40 HydrophobicContact CB-SD 4.47Å; W28-M40 WeakPolarHBondContact O-CB 3.43Å; W28-M40 PolarHBondContact O-N 2.75Å; R30-M40 HydrophobicContact CB-SD 3.93Å; R30-M40 HydrophobicContact CG-CG 4.16Å; R30-M40 HydrophobicContact CG-SD 3.94Å; M40-N52 WeakPolarHBondContact O-CB 3.34Å; M40-N52 PolarHBondContact O-N 3.13Å; M40-L55 HydrophobicContact CB-CD1 4.37Å; M40-L55 HydrophobicContact CE-CD1 4.48Å; M40-L55 HydrophobicContact CG-CD1 4.08Å; M40-I59 HydrophobicContact CB-CD1 3.86Å; M40-I59 HydrophobicContact CE-CD1 3.38Å; M40-I59 HydrophobicContact CE-CG1 4.12Å; M40-I59 HydrophobicContact CG-CD1 4.39Å; M40-L72 HydrophobicContact CE-CD1 4.1Å; M40-L72 HydrophobicContact CE-CD2 3.63Å; M40-L72 HydrophobicContact CE-CG 4.43Å; M40-L72 HydrophobicContact SD-CD2 3.82Å; M40-Y85 HydrophobicContact CE-CD1 4.28Å; M40-Y85 HydrophobicContact CE-CE1 3.78Å; M40-Y85 HydrophobicContact SD-CD1 3.67Å; M40-Y85 HydrophobicContact SD-CE1 3.62Å
41	G	95.4	Very high	93.3	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.1	173.9	-177.2	0	0	0	0	0	112.5	N27 W28 Y39 Y50	N27-G41 CarbonylContact C-O 3.55Å; N27-G41 WeakPolarHBondContact CA-O 3.4Å; W28-G41 PolarHBondContact N-O 2.9Å; Y39-G41 VanDerWaalsContact CZ-C 3.45Å; Y39-G41 VanDerWaalsContact CZ-CA 3.49Å; Y39-G41 WeakPolarHBondContact OH-CA 3.43Å; Y39-G41 PolarHBondContact OH-O 2.93Å; G41-Y50 CarbonylContact C-O 3.59Å; G41-Y50 WeakPolarHBondContact CA-O 3.43Å
42	Y	93.9	Very high	93.3	Very high	68 Å²	68	64 Å²	64	27%	0.267	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	161.6	175.9	74.1	-115.3	0	0	0	111.5	Y25 W26 N27 Y39 T49 Y50	Y25-Y42 AromaticContact CD1-CD2 3.78Å; Y25-Y42 HydrophobicContact CD1-CD2 3.78Å; Y25-Y42 AromaticContact CD1-CE2 3.76Å; Y25-Y42 HydrophobicContact CD1-CE2 3.76Å; Y25-Y42 HydrophobicContact CD1-CG 4.43Å; Y25-Y42 HydrophobicContact CE1-CE2 4.04Å; W26-Y42 CarbonylContact O-C 3.53Å; W26-Y42 WeakPolarHBondContact O-CA 3.5Å; W26-Y42 VanDerWaalsContact O-CB 3.27Å; W26-Y42 WeakPolarHBondContact O-CB 3.37Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.23Å; Y39-Y42 VanDerWaalsContact OH-CB 3.27Å; Y39-Y42 WeakPolarHBondContact OH-CB 3.45Å; Y39-Y42 WeakPolarHBondContact OH-CD1 3.27Å; Y39-Y42 PolarHBondContact OH-N 3.5Å; Y42-T49 CarbonylContact O-C 3.56Å; Y42-T49 VanDerWaalsContact O-CA 3.29Å; Y42-T49 WeakPolarHBondContact O-CA 3.46Å; Y42-Y50 HydrophobicContact CD1-CD1 4.49Å; Y42-Y50 VanDerWaalsContact CE1-CB 3.49Å; Y42-Y50 HydrophobicContact CE1-CD1 4.29Å; Y42-Y50 HydrophobicContact CE1-CG 4.02Å; Y42-Y50 PolarHBondContact N-O 2.97Å; Y42-Y50 PolarHBondContact O-N 2.94Å
43	M	93.1	Very high	93.2	Very high	15 Å²	15	66.7 Å²	66.7	7%	0.074	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.3	159.8	-175.5	177.5	-81.7	0	0	109.6	W26 T48 T49 I61 R63 Y70	W26-M43 PolarHBondContact N-O 3.33Å; W26-M43 PolarHBondContact O-N 2.94Å; M43-T48 WeakPolarHBondContact CA-O 3.44Å; M43-T49 HydrophobicContact CB-CG2 4.26Å; M43-T49 HydrophobicContact CE-CG2 3.4Å; M43-T49 VanDerWaalsContact CE-CG2 3.4Å; M43-T49 HydrophobicContact CG-CG2 4.17Å; M43-I61 HydrophobicContact CB-CG2 4.05Å; M43-I61 HydrophobicContact CE-CG2 4.26Å; M43-I61 VanDerWaalsContact CE-O 3.31Å; M43-I61 WeakPolarHBondContact CE-O 3.34Å; M43-R63 HydrophobicContact SD-CB 3.88Å; M43-R63 VanDerWaalsContact SD-CD 3.52Å; M43-R63 HydrophobicContact SD-CG 3.61Å; M43-Y70 HydrophobicContact CB-CE2 3.53Å; M43-Y70 HydrophobicContact CG-CE2 4.44Å; M43-Y70 PolarHBondContact N-OH 3.09Å; M43-Y70 HydrophobicContact SD-CE2 4.19Å
44	S	90.3	Very high	93.3	Very high	6 Å²	6	66 Å²	66	4%	0.042	36%	0.362	C	S	.	.			trans	-78.4	166.6	174.4	63.7	0	0	0	0	111.6	G24 S46 G47 T48 R63	G24-S44 CarbonylContact O-C 3.59Å; S44-S46 PolarHBondContact O-N 3.34Å; S44-S46 PolarHBondContact OG-OG 2.86Å; S44-S46 VanDerWaalsContact OG-OG 3.06Å; S44-G47 PolarHBondContact O-N 2.9Å; S44-T48 PolarHBondContact N-O 3.1Å; S44-T48 WeakPolarHBondContact OG-CB 3.48Å; S44-T48 PolarHBondContact OG-N 3.03Å; S44-T48 VanDerWaalsContact OG-N 3.09Å; S44-T48 PolarHBondContact OG-O 3.01Å; S44-T48 VanDerWaalsContact OG-O 3.09Å; S44-R63 PolarHBondContact O-NH1 2.78Å
45	Y	85.6	Confident	93.4	Very high	135 Å²	135	62.6 Å²	62.6	53%	0.529	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-32.5	176.7	66.7	-87.5	0	0	0	113.2	T22 G24 G47 R63	T22-Y45 WeakPolarHBondContact O-CB 3.45Å; G24-Y45 WeakPolarHBondContact O-CA 3.29Å; G24-Y45 PolarHBondContact O-N 3.19Å; Y45-G47 VanDerWaalsContact C-N 3.25Å; Y45-G47 PolarHBondContact O-N 3.34Å; Y45-R63 VanDerWaalsContact O-CZ 3.3Å; Y45-R63 PolarHBondContact O-NH1 2.84Å; Y45-R63 PolarHBondContact O-NH2 2.88Å
46	S	88.3	Confident	93.6	Very high	75 Å²	75	63.7 Å²	63.7	52%	0.524	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-7	176.5	60.8	0	0	0	0	113.6	S44 T48	S44-S46 PolarHBondContact O-N 3.34Å; S44-S46 PolarHBondContact OG-OG 2.86Å; S44-S46 VanDerWaalsContact OG-OG 3.06Å; S46-T48 PolarHBondContact OG-OG1 3.44Å
47	G	88.9	Confident	93.6	Very high	29 Å²	29	62.3 Å²	62.3	30%	0.299	33%	0.334	S	S	.	.	S	Bend	trans	93.4	-1.2	-178.9	0	0	0	0	0	114.3	S44 Y45 T49	S44-G47 PolarHBondContact O-N 2.9Å; Y45-G47 VanDerWaalsContact C-N 3.25Å; Y45-G47 PolarHBondContact O-N 3.34Å; G47-T49 PolarHBondContact O-N 2.8Å
48	T	91.6	Very high	93.7	Very high	87 Å²	87	60.4 Å²	60.4	53%	0.534	32%	0.32	S	S	.	.			trans	-65.5	128.5	173.5	-53.2	0	0	0	0	110.3	M43 S44 S46	M43-T48 WeakPolarHBondContact CA-O 3.44Å; S44-T48 PolarHBondContact N-O 3.1Å; S44-T48 WeakPolarHBondContact OG-CB 3.48Å; S44-T48 PolarHBondContact OG-N 3.03Å; S44-T48 VanDerWaalsContact OG-N 3.09Å; S44-T48 PolarHBondContact OG-O 3.01Å; S44-T48 VanDerWaalsContact OG-O 3.09Å; S46-T48 PolarHBondContact OG-OG1 3.44Å
49	T	94.4	Very high	93.7	Very high	49 Å²	49	58.9 Å²	58.9	30%	0.301	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	141.3	179.4	55.3	0	0	0	0	112.2	Y42 M43 G47 Y51 I61	Y42-T49 CarbonylContact O-C 3.56Å; Y42-T49 VanDerWaalsContact O-CA 3.29Å; Y42-T49 WeakPolarHBondContact O-CA 3.46Å; M43-T49 HydrophobicContact CB-CG2 4.26Å; M43-T49 HydrophobicContact CE-CG2 3.4Å; M43-T49 VanDerWaalsContact CE-CG2 3.4Å; M43-T49 HydrophobicContact CG-CG2 4.17Å; G47-T49 PolarHBondContact O-N 2.8Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.32Å; T49-Y51 PolarHBondContact OG1-OH 3.24Å; T49-I61 HydrophobicContact CG2-CG2 4.5Å
50	Y	94.9	Very high	93.7	Very high	114 Å²	114	57.4 Å²	57.4	45%	0.447	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139.1	166.3	179.2	-89.9	0	0	0	109.4	Y39 G41 Y42	Y39-Y50 HydrophobicContact CE1-CD1 4.03Å; Y39-Y50 HydrophobicContact CE1-CE1 4.1Å; G41-Y50 CarbonylContact C-O 3.59Å; G41-Y50 WeakPolarHBondContact CA-O 3.43Å; Y42-Y50 HydrophobicContact CD1-CD1 4.49Å; Y42-Y50 VanDerWaalsContact CE1-CB 3.49Å; Y42-Y50 HydrophobicContact CE1-CD1 4.29Å; Y42-Y50 HydrophobicContact CE1-CG 4.02Å; Y42-Y50 PolarHBondContact N-O 2.97Å; Y42-Y50 PolarHBondContact O-N 2.94Å
51	Y	96.3	Very high	93.7	Very high	50 Å²	50	57.6 Å²	57.6	20%	0.196	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	144.1	-179.6	-57.2	-75.8	0	0	0	110	T49 P53 K56 I59 I61	T49-Y51 WeakPolarHBondContact OG1-CE2 3.32Å; T49-Y51 PolarHBondContact OG1-OH 3.24Å; Y51-P53 WeakPolarHBondContact O-CD 3.25Å; Y51-K56 HydrophobicContact CD2-CG 4.34Å; Y51-K56 HydrophobicContact CG-CG 4.42Å; Y51-I59 HydrophobicContact CD1-CB 4.35Å; Y51-I59 HydrophobicContact CD1-CG2 3.72Å; Y51-I59 HydrophobicContact CE1-CG2 3.9Å; Y51-I61 HydrophobicContact CD1-CD1 4.14Å; Y51-I61 HydrophobicContact CD1-CG1 4.46Å; Y51-I61 HydrophobicContact CE1-CB 3.95Å; Y51-I61 HydrophobicContact CE1-CD1 4.02Å; Y51-I61 HydrophobicContact CE1-CG1 3.92Å
52	N	95.9	Very high	93.7	Very high	28 Å²	28	60.7 Å²	60.7	15%	0.15	33%	0.333	C	S	.	.			trans	-59.8	125.4	165.4	-178.5	-30.3	0	0	0	109.2	Y39 M40 S54 L55 K56	Y39-N52 WeakPolarHBondContact O-CB 3.33Å; Y39-N52 PolarHBondContact O-ND2 3.07Å; M40-N52 WeakPolarHBondContact O-CB 3.34Å; M40-N52 PolarHBondContact O-N 3.13Å; N52-S54 PolarHBondContact O-N 2.82Å; N52-S54 VanDerWaalsContact O-N 3.13Å; N52-S54 PolarHBondContact OD1-N 3.42Å; N52-L55 HydrophobicContact CB-CD1 4.4Å; N52-L55 PolarHBondContact O-N 2.86Å; N52-K56 PolarHBondContact O-N 3.19Å
53	P	95.6	Very high	93.6	Very high	95 Å²	95	60.8 Å²	60.8	62%	0.617	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-38.2	-178.8	-29.4	35.7	0	0	0	114.3	Y51 L55	Y51-P53 WeakPolarHBondContact O-CD 3.25Å; P53-L55 PolarHBondContact O-N 2.61Å
54	S	93.5	Very high	93.6	Very high	92 Å²	92	61.8 Å²	61.8	64%	0.643	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.3	-179.8	-54.4	0	0	0	0	113.8	N52	N52-S54 PolarHBondContact O-N 2.82Å; N52-S54 VanDerWaalsContact O-N 3.13Å; N52-S54 PolarHBondContact OD1-N 3.42Å
55	L	95	Very high	93.6	Very high	5 Å²	5	65.6 Å²	65.6	3%	0.026	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-5.5	-174.7	-57.7	172.1	0	0	0	112.9	M40 N52 P53 S57 R58 I59	M40-L55 HydrophobicContact CB-CD1 4.37Å; M40-L55 HydrophobicContact CE-CD1 4.48Å; M40-L55 HydrophobicContact CG-CD1 4.08Å; N52-L55 HydrophobicContact CB-CD1 4.4Å; N52-L55 PolarHBondContact O-N 2.86Å; P53-L55 PolarHBondContact O-N 2.61Å; L55-S57 PolarHBondContact O-N 3.46Å; L55-S57 VanDerWaalsContact O-N 3.09Å; L55-R58 PolarHBondContact O-N 3.19Å; L55-I59 HydrophobicContact CB-CD1 3.3Å; L55-I59 HydrophobicContact CB-CG1 3.87Å; L55-I59 HydrophobicContact CD1-CD1 3.7Å; L55-I59 HydrophobicContact CG-CD1 4.07Å; L55-I59 PolarHBondContact O-N 2.96Å
56	K	94	Very high	93.9	Very high	140 Å²	140	64 Å²	64	61%	0.609	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-30.1	-172.1	-175.4	176.4	180	-176.6	0	114	Y51 N52 R58	Y51-K56 HydrophobicContact CD2-CG 4.34Å; Y51-K56 HydrophobicContact CG-CG 4.42Å; N52-K56 PolarHBondContact O-N 3.19Å; K56-R58 VanDerWaalsContact C-N 3.34Å
57	S	95.8	Very high	94.2	Very high	112 Å²	112	66.3 Å²	66.3	78%	0.783	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-17.6	178.4	57.7	0	0	0	0	113.9	L55	L55-S57 PolarHBondContact O-N 3.46Å; L55-S57 VanDerWaalsContact O-N 3.09Å
58	R	96.2	Very high	94.3	Very high	55 Å²	55	66.6 Å²	66.6	21%	0.208	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-19.8	-173.7	-56.9	-166.1	-60.7	129.5	-4	113.5	L55 K56 L74 N75 S76 D81	L55-R58 PolarHBondContact O-N 3.19Å; K56-R58 VanDerWaalsContact C-N 3.34Å; R58-L74 HydrophobicContact CB-CD1 3.91Å; R58-N75 PolarHBondContact O-N 2.81Å; R58-S76 PolarHBondContact NH1-O 2.79Å; R58-D81 IonicContact CZ-OD1 2.96Å; R58-D81 IonicContact CZ-OD2 3.59Å; R58-D81 IonicContact NH1-OD1 2.69Å; R58-D81 IonicContact NH1-OD2 3.66Å; R58-D81 PolarHBondContact NH1-OD2 2.76Å; R58-D81 IonicContact NH2-OD1 2.78Å; R58-D81 PolarHBondContact NH2-OD1 3.18Å; R58-D81 IonicContact NH2-OD2 3.05Å
59	I	96.3	Very high	94.4	Very high	12 Å²	12	64.6 Å²	64.6	6%	0.062	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	138.7	-175.8	-70.2	-178.5	0	0	0	111.7	M40 Y51 L55 I61 L72 Q73 L74	M40-I59 HydrophobicContact CB-CD1 3.86Å; M40-I59 HydrophobicContact CE-CD1 3.38Å; M40-I59 HydrophobicContact CE-CG1 4.12Å; M40-I59 HydrophobicContact CG-CD1 4.39Å; Y51-I59 HydrophobicContact CD1-CB 4.35Å; Y51-I59 HydrophobicContact CD1-CG2 3.72Å; Y51-I59 HydrophobicContact CE1-CG2 3.9Å; L55-I59 HydrophobicContact CB-CD1 3.3Å; L55-I59 HydrophobicContact CB-CG1 3.87Å; L55-I59 HydrophobicContact CD1-CD1 3.7Å; L55-I59 HydrophobicContact CG-CD1 4.07Å; L55-I59 PolarHBondContact O-N 2.96Å; I59-I61 HydrophobicContact CG2-CD1 4.16Å; I59-I61 HydrophobicContact CG2-CG1 3.81Å; I59-L72 HydrophobicContact CG1-CD1 4.43Å; I59-L72 HydrophobicContact CG2-CD1 3.64Å; I59-Q73 CarbonylContact C-O 3.46Å; I59-Q73 WeakPolarHBondContact CA-O 3.39Å; I59-L74 HydrophobicContact CD1-CD1 4.41Å; I59-L74 HydrophobicContact CG1-CD1 3.58Å
60	S	96.4	Very high	94.3	Very high	38 Å²	38	62.4 Å²	62.4	27%	0.266	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.9	161.3	179.7	0	0	0	0	109.8	Q73	S60-Q73 PolarHBondContact N-O 2.82Å; S60-Q73 PolarHBondContact O-N 2.91Å
61	I	96.1	Very high	94.3	Very high	4 Å²	4	59.3 Å²	59.3	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.6	-179	-71.7	175.8	0	0	0	107.9	M43 T49 Y51 I59 Y70 Y71 L72	M43-I61 HydrophobicContact CB-CG2 4.05Å; M43-I61 HydrophobicContact CE-CG2 4.26Å; M43-I61 VanDerWaalsContact CE-O 3.31Å; M43-I61 WeakPolarHBondContact CE-O 3.34Å; T49-I61 HydrophobicContact CG2-CG2 4.5Å; Y51-I61 HydrophobicContact CD1-CD1 4.14Å; Y51-I61 HydrophobicContact CD1-CG1 4.46Å; Y51-I61 HydrophobicContact CE1-CB 3.95Å; Y51-I61 HydrophobicContact CE1-CD1 4.02Å; Y51-I61 HydrophobicContact CE1-CG1 3.92Å; I59-I61 HydrophobicContact CG2-CD1 4.16Å; I59-I61 HydrophobicContact CG2-CG1 3.81Å; I61-Y70 HydrophobicContact CG2-CD2 4.49Å; I61-Y70 HydrophobicContact CG2-CE1 4.45Å; I61-Y70 HydrophobicContact CG2-CE2 3.35Å; I61-Y70 WeakPolarHBondContact CG2-OH 3.23Å; I61-Y71 WeakPolarHBondContact CA-O 3.32Å; I61-L72 HydrophobicContact CG1-CD1 4.1Å
62	T	94.6	Very high	94.3	Very high	66 Å²	66	57 Å²	57	41%	0.405	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	170	-177.6	64.8	0	0	0	0	111.4	Y70 Y71	T62-Y70 VanDerWaalsContact O-CD2 3.23Å; T62-Y70 WeakPolarHBondContact O-CD2 3.47Å; T62-Y71 PolarHBondContact N-O 2.78Å; T62-Y71 VanDerWaalsContact N-O 3.11Å; T62-Y71 PolarHBondContact O-N 2.03Å
63	R	93.2	Very high	94.4	Very high	70 Å²	70	59.5 Å²	59.5	26%	0.264	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	153.8	177.2	75.6	175.3	176.6	-170.1	-0.2	112.2	I21 M43 S44 Y45 T65 Q69 Y70	I21-R63 HydrophobicContact CD1-CB 3.87Å; I21-R63 HydrophobicContact CD1-CG 4.26Å; M43-R63 HydrophobicContact SD-CB 3.88Å; M43-R63 VanDerWaalsContact SD-CD 3.52Å; M43-R63 HydrophobicContact SD-CG 3.61Å; S44-R63 PolarHBondContact O-NH1 2.78Å; Y45-R63 VanDerWaalsContact O-CZ 3.3Å; Y45-R63 PolarHBondContact O-NH1 2.84Å; Y45-R63 PolarHBondContact O-NH2 2.88Å; R63-T65 HydrophobicContact CG-CG2 4.39Å; R63-Q69 CarbonylContact C-O 3.55Å; R63-Q69 WeakPolarHBondContact CA-O 3.32Å; R63-Y70 HydrophobicContact CB-CD2 4.08Å
64	D	92.9	Very high	94.5	Very high	36 Å²	36	55 Å²	55	19%	0.193	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	103	168.8	-176.8	-17.3	0	0	0	108.2	I21 S66 K67 N68 Q69 Y71	I21-D64 WeakPolarHBondContact CD1-O 3.33Å; D64-S66 VanDerWaalsContact C-N 3.26Å; D64-S66 PolarHBondContact O-N 3.15Å; D64-S66 WeakPolarHBondContact OD1-CB 3.46Å; D64-S66 PolarHBondContact OD1-N 3.12Å; D64-S66 PolarHBondContact OD1-OG 2.86Å; D64-K67 HydrophobicContact CB-CB 4.4Å; D64-K67 PolarHBondContact O-N 2.85Å; D64-K67 PolarHBondContact OD1-N 3.45Å; D64-K67 VanDerWaalsContact OD2-CD 3.3Å; D64-K67 WeakPolarHBondContact OD2-CD 3.48Å; D64-K67 WeakPolarHBondContact OD2-CE 3.43Å; D64-K67 IonicContact OD2-NZ 2.69Å; D64-K67 PolarHBondContact OD2-NZ 2.86Å; D64-N68 PolarHBondContact O-N 3.28Å; D64-Q69 PolarHBondContact N-O 2.9Å; D64-Q69 PolarHBondContact O-N 3.02Å; D64-Y71 HydrophobicContact CB-CE2 3.7Å
65	T	90.9	Very high	94.6	Very high	85 Å²	85	53 Å²	53	52%	0.521	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-23.5	-178.9	52.8	0	0	0	0	112.7	I21 T22 R63 K67	I21-T65 HydrophobicContact CD1-CG2 4.03Å; I21-T65 HydrophobicContact CG1-CG2 4.26Å; T22-T65 HydrophobicContact CG2-CG2 3.66Å; R63-T65 HydrophobicContact CG-CG2 4.39Å; T65-K67 VanDerWaalsContact C-N 3.29Å
66	S	91.6	Very high	94.6	Very high	102 Å²	102	56.1 Å²	56.1	71%	0.713	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-29.8	176.8	75.7	0	0	0	0	111.9	D64	D64-S66 VanDerWaalsContact C-N 3.26Å; D64-S66 PolarHBondContact O-N 3.15Å; D64-S66 WeakPolarHBondContact OD1-CB 3.46Å; D64-S66 PolarHBondContact OD1-N 3.12Å; D64-S66 PolarHBondContact OD1-OG 2.86Å
67	K	93.4	Very high	94.7	Very high	123 Å²	123	49.5 Å²	49.5	54%	0.535	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-3.5	178.7	-63	-178.4	-167.5	124.3	0	113.8	D64 T65 Q69	D64-K67 HydrophobicContact CB-CB 4.4Å; D64-K67 PolarHBondContact O-N 2.85Å; D64-K67 PolarHBondContact OD1-N 3.45Å; D64-K67 VanDerWaalsContact OD2-CD 3.3Å; D64-K67 WeakPolarHBondContact OD2-CD 3.48Å; D64-K67 WeakPolarHBondContact OD2-CE 3.43Å; D64-K67 IonicContact OD2-NZ 2.69Å; D64-K67 PolarHBondContact OD2-NZ 2.86Å; T65-K67 VanDerWaalsContact C-N 3.29Å; K67-Q69 HydrophobicContact CB-CB 4.18Å; K67-Q69 HydrophobicContact CB-CG 4.01Å; K67-Q69 PolarHBondContact O-N 2.93Å
68	N	91.9	Very high	94.7	Very high	35 Å²	35	46.8 Å²	46.8	19%	0.187	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	42.4	-171.8	-156.4	35.5	0	0	0	112.6	V16 D19 S20 I21 D64	V16-N68 PolarHBondContact N-O 2.91Å; V16-N68 VanDerWaalsContact N-O 3.08Å; V16-N68 PolarHBondContact O-ND2 3.24Å; D19-N68 PolarHBondContact O-ND2 2.87Å; S20-N68 WeakPolarHBondContact CA-OD1 3.13Å; I21-N68 WeakPolarHBondContact CG2-OD1 3.14Å; I21-N68 PolarHBondContact N-OD1 2.85Å; D64-N68 PolarHBondContact O-N 3.28Å
69	Q	93.8	Very high	94.7	Very high	45 Å²	45	48.3 Å²	48.3	21%	0.21	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145	-174.9	-78.2	178.5	-13.9	0	0	112.2	T13 C14 S15 I21 R63 D64 K67 Y71	T13-Q69 HydrophobicContact CG2-CB 4.39Å; T13-Q69 HydrophobicContact CG2-CG 4.13Å; C14-Q69 WeakPolarHBondContact O-CA 3.12Å; S15-Q69 PolarHBondContact OG-NE2 2.99Å; I21-Q69 VanDerWaalsContact CD1-O 3.3Å; I21-Q69 WeakPolarHBondContact CD1-O 3.37Å; R63-Q69 CarbonylContact C-O 3.55Å; R63-Q69 WeakPolarHBondContact CA-O 3.32Å; D64-Q69 PolarHBondContact N-O 2.9Å; D64-Q69 PolarHBondContact O-N 3.02Å; K67-Q69 HydrophobicContact CB-CB 4.18Å; K67-Q69 HydrophobicContact CB-CG 4.01Å; K67-Q69 PolarHBondContact O-N 2.93Å; Q69-Y71 HydrophobicContact CB-CE1 4.06Å; Q69-Y71 HydrophobicContact CB-CE2 4.04Å; Q69-Y71 VanDerWaalsContact CB-OH 3.32Å; Q69-Y71 WeakPolarHBondContact CB-OH 3.48Å; Q69-Y71 PolarHBondContact OE1-OH 2.92Å
70	Y	91.6	Very high	94.6	Very high	3 Å²	3	54.9 Å²	54.9	1%	0.012	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.5	-179.6	-176	-123.4	0	0	0	109.4	C14 W26 W28 M43 I61 T62 R63	C14-Y70 PolarHBondContact N-O 2.87Å; C14-Y70 PolarHBondContact O-N 3.14Å; W26-Y70 HydrophobicContact CB-CD1 3.95Å; W26-Y70 HydrophobicContact CB-CD2 4.45Å; W26-Y70 HydrophobicContact CB-CE1 3.74Å; W26-Y70 HydrophobicContact CB-CE2 4.32Å; W26-Y70 HydrophobicContact CB-CG 4.27Å; W26-Y70 PolarHBondContact O-OH 2.67Å; W28-Y70 AromaticContact CD1-CD1 3.9Å; W28-Y70 AromaticContact CD1-CE1 3.15Å; W28-Y70 AromaticContact CD1-CZ 3.67Å; W28-Y70 AromaticContact CE2-CD1 3.86Å; W28-Y70 AromaticContact CE2-CE1 3.92Å; W28-Y70 HydrophobicContact CG-CE1 4.12Å; W28-Y70 HydrophobicContact CZ2-CD1 4.29Å; W28-Y70 AromaticContact NE1-CD1 3.23Å; W28-Y70 AromaticContact NE1-CE1 2.98Å; W28-Y70 AromaticContact NE1-CZ 3.69Å; M43-Y70 HydrophobicContact CB-CE2 3.53Å; M43-Y70 HydrophobicContact CG-CE2 4.44Å; M43-Y70 PolarHBondContact N-OH 3.09Å; M43-Y70 HydrophobicContact SD-CE2 4.19Å; I61-Y70 HydrophobicContact CG2-CD2 4.49Å; I61-Y70 HydrophobicContact CG2-CE1 4.45Å; I61-Y70 HydrophobicContact CG2-CE2 3.35Å; I61-Y70 WeakPolarHBondContact CG2-OH 3.23Å; T62-Y70 VanDerWaalsContact O-CD2 3.23Å; T62-Y70 WeakPolarHBondContact O-CD2 3.47Å; R63-Y70 HydrophobicContact CB-CD2 4.08Å
71	Y	95.3	Very high	94.6	Very high	50 Å²	50	53.2 Å²	53.2	20%	0.196	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	146.8	-169.5	-48.5	-83	0	0	0	112	L12 T13 I61 T62 D64 Q69	L12-Y71 VanDerWaalsContact O-CA 3.26Å; L12-Y71 WeakPolarHBondContact O-CA 3.47Å; T13-Y71 HydrophobicContact CG2-CD1 3.86Å; T13-Y71 HydrophobicContact CG2-CE1 3.53Å; T13-Y71 WeakPolarHBondContact OG1-CD1 3.42Å; I61-Y71 WeakPolarHBondContact CA-O 3.32Å; T62-Y71 PolarHBondContact N-O 2.78Å; T62-Y71 VanDerWaalsContact N-O 3.11Å; T62-Y71 PolarHBondContact O-N 2.03Å; D64-Y71 HydrophobicContact CB-CE2 3.7Å; Q69-Y71 HydrophobicContact CB-CE1 4.06Å; Q69-Y71 HydrophobicContact CB-CE2 4.04Å; Q69-Y71 VanDerWaalsContact CB-OH 3.32Å; Q69-Y71 WeakPolarHBondContact CB-OH 3.48Å; Q69-Y71 PolarHBondContact OE1-OH 2.92Å
72	L	97.1	Very high	94.6	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128	169.2	168.6	67.9	0	0	0	108.6	S11 L12 W28 M40 I59 I61 Y85	S11-L72 CarbonylContact C-O 3.52Å; S11-L72 WeakPolarHBondContact CA-O 3.38Å; L12-L72 HydrophobicContact CB-CB 4.32Å; L12-L72 HydrophobicContact CD1-CD2 4.04Å; L12-L72 PolarHBondContact N-O 2.96Å; L12-L72 PolarHBondContact O-N 2.89Å; W28-L72 HydrophobicContact CB-CD2 4.2Å; W28-L72 HydrophobicContact CD2-CB 3.61Å; W28-L72 HydrophobicContact CD2-CD2 3.76Å; W28-L72 HydrophobicContact CD2-CG 4.26Å; W28-L72 HydrophobicContact CE3-CB 4.22Å; W28-L72 HydrophobicContact CE3-CD2 3.79Å; W28-L72 HydrophobicContact CG-CB 3.89Å; W28-L72 HydrophobicContact CG-CD1 4.4Å; W28-L72 HydrophobicContact CG-CD2 3.94Å; W28-L72 HydrophobicContact CG-CG 4.31Å; W28-L72 HydrophobicContact CH2-CB 4.35Å; W28-L72 HydrophobicContact CZ2-CB 3.76Å; W28-L72 HydrophobicContact CZ3-CD2 4.43Å; M40-L72 HydrophobicContact CE-CD1 4.1Å; M40-L72 HydrophobicContact CE-CD2 3.63Å; M40-L72 HydrophobicContact CE-CG 4.43Å; M40-L72 HydrophobicContact SD-CD2 3.82Å; I59-L72 HydrophobicContact CG1-CD1 4.43Å; I59-L72 HydrophobicContact CG2-CD1 3.64Å; I61-L72 HydrophobicContact CG1-CD1 4.1Å; L72-Y85 HydrophobicContact CD2-CD1 3.91Å; L72-Y85 HydrophobicContact CD2-CE1 4.35Å
73	Q	97.1	Very high	94.8	Very high	79 Å²	79	51.7 Å²	51.7	37%	0.369	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.2	168.1	-168.5	178.3	35.6	0	0	108.5	T9 L10 I59 S60	T9-Q73 HydrophobicContact CG2-CG 3.33Å; L10-Q73 CarbonylContact O-C 3.49Å; L10-Q73 WeakPolarHBondContact O-CA 3.39Å; I59-Q73 CarbonylContact C-O 3.46Å; I59-Q73 WeakPolarHBondContact CA-O 3.39Å; S60-Q73 PolarHBondContact N-O 2.82Å; S60-Q73 PolarHBondContact O-N 2.91Å
74	L	97	Very high	95	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	113.8	174.6	179.7	66.9	0	0	0	108.5	T9 L10 R58 I59 V77 D81	T9-L74 WeakPolarHBondContact CA-O 3.35Å; L10-L74 HydrophobicContact CB-CB 4.37Å; L10-L74 PolarHBondContact N-O 3.2Å; L10-L74 PolarHBondContact O-N 3.41Å; R58-L74 HydrophobicContact CB-CD1 3.91Å; I59-L74 HydrophobicContact CD1-CD1 4.41Å; I59-L74 HydrophobicContact CG1-CD1 3.58Å; L74-V77 HydrophobicContact CB-CG1 4.41Å; L74-V77 HydrophobicContact CD2-CG1 4.01Å; L74-V77 HydrophobicContact CG-CG1 4Å; L74-D81 HydrophobicContact CD2-CB 4.02Å
75	N	96.8	Very high	95.2	Very high	52 Å²	52	48.4 Å²	48.4	28%	0.278	27%	0.266	S	S	.	.			trans	-88.1	153.2	-177.3	-64.7	-41.5	0	0	0	111.7	T9 R58 V77	T9-N75 WeakPolarHBondContact CG2-OD1 3.19Å; T9-N75 PolarHBondContact OG1-OD1 2.92Å; R58-N75 PolarHBondContact O-N 2.81Å; N75-V77 PolarHBondContact O-N 2.91Å
76	S	95.4	Very high	95.4	Very high	70 Å²	70	46.4 Å²	46.4	49%	0.49	25%	0.249	S	C	.	.	S	Bend	trans	51.1	56.5	176	-54.1	0	0	0	0	111.8	Q8 R58	Q8-S76 PolarHBondContact O-N 3.22Å; R58-S76 PolarHBondContact NH1-O 2.79Å
77	V	96.3	Very high	95.5	Very high	1 Å²	1	42 Å²	42	1%	0.006	22%	0.218	C	C	.	.			trans	-65.3	144.8	-176.9	-60.8	0	0	0	0	111.7	V4 K5 P6 S7 Q8 L10 L74 N75 D81 V107	V4-V77 HydrophobicContact CG1-CG2 3.79Å; K5-V77 WeakPolarHBondContact O-CG2 3.44Å; P6-V77 CarbonylContact C-O 3.54Å; P6-V77 WeakPolarHBondContact CA-O 3.5Å; S7-V77 PolarHBondContact N-O 2.84Å; Q8-V77 WeakPolarHBondContact O-CG2 2.97Å; Q8-V77 PolarHBondContact O-N 2.95Å; L10-V77 HydrophobicContact CB-CG1 3.77Å; L74-V77 HydrophobicContact CB-CG1 4.41Å; L74-V77 HydrophobicContact CD2-CG1 4.01Å; L74-V77 HydrophobicContact CG-CG1 4Å; N75-V77 PolarHBondContact O-N 2.91Å; V77-D81 VanDerWaalsContact CA-OD2 3.25Å; V77-D81 WeakPolarHBondContact CA-OD2 3Å; V77-D81 HydrophobicContact CB-CB 4.37Å; V77-V107 HydrophobicContact CB-CG2 4.2Å; V77-V107 HydrophobicContact CG2-CG1 3.95Å; V77-V107 HydrophobicContact CG2-CG2 4.03Å
78	T	95.9	Very high	95.4	Very high	54 Å²	54	36.1 Å²	36.1	33%	0.331	19%	0.193	S	C	.	.			trans	-117.3	170.8	174.5	69.1	0	0	0	0	110.3	E80 D81 V107	T78-E80 PolarHBondContact O-N 3.11Å; T78-E80 WeakPolarHBondContact OG1-CB 3.03Å; T78-E80 PolarHBondContact OG1-N 3.42Å; T78-D81 PolarHBondContact N-OD2 3.07Å; T78-D81 WeakPolarHBondContact O-CB 3.36Å; T78-D81 PolarHBondContact O-N 2.83Å; T78-V107 VanDerWaalsContact O-CB 3.29Å; T78-V107 WeakPolarHBondContact O-CB 3.46Å; T78-V107 WeakPolarHBondContact O-CG1 3.36Å; T78-V107 WeakPolarHBondContact O-CG2 3.01Å
79	T	95.3	Very high	95.3	Very high	87 Å²	87	37.3 Å²	37.3	53%	0.534	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-56.8	-30.1	174.2	49.4	0	0	0	0	112.2	D81 T82	T79-D81 PolarHBondContact O-N 2.93Å; T79-T82 VanDerWaalsContact O-CB 3.25Å; T79-T82 WeakPolarHBondContact O-CB 3.37Å; T79-T82 PolarHBondContact O-N 2.74Å; T79-T82 VanDerWaalsContact O-N 3.15Å; T79-T82 PolarHBondContact O-OG1 3.35Å
80	E	94.2	Very high	94.9	Very high	151 Å²	151	36 Å²	36	71%	0.706	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-65.6	-21.7	175.2	-57.5	178.1	171.4	0	0	112.8	F32 T78 T82	F32-E80 VanDerWaalsContact CE1-O 3.23Å; F32-E80 WeakPolarHBondContact CE1-O 3.22Å; T78-E80 PolarHBondContact O-N 3.11Å; T78-E80 WeakPolarHBondContact OG1-CB 3.03Å; T78-E80 PolarHBondContact OG1-N 3.42Å; E80-T82 PolarHBondContact O-N 2.77Å
81	D	95.9	Very high	94	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.011	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-80.4	4.9	176	-61.1	-49.1	0	0	0	112.5	R30 R58 L74 V77 T78 T79 A83 Y85	R30-D81 IonicContact CZ-OD1 3.07Å; R30-D81 IonicContact NH1-OD1 3.76Å; R30-D81 PolarHBondContact NH1-OD1 2.63Å; R30-D81 IonicContact NH2-OD1 2.67Å; R58-D81 IonicContact CZ-OD1 2.96Å; R58-D81 IonicContact CZ-OD2 3.59Å; R58-D81 IonicContact NH1-OD1 2.69Å; R58-D81 IonicContact NH1-OD2 3.66Å; R58-D81 PolarHBondContact NH1-OD2 2.76Å; R58-D81 IonicContact NH2-OD1 2.78Å; R58-D81 PolarHBondContact NH2-OD1 3.18Å; R58-D81 IonicContact NH2-OD2 3.05Å; L74-D81 HydrophobicContact CD2-CB 4.02Å; V77-D81 VanDerWaalsContact CA-OD2 3.25Å; V77-D81 WeakPolarHBondContact CA-OD2 3Å; V77-D81 HydrophobicContact CB-CB 4.37Å; T78-D81 PolarHBondContact N-OD2 3.07Å; T78-D81 WeakPolarHBondContact O-CB 3.36Å; T78-D81 PolarHBondContact O-N 2.83Å; T79-D81 PolarHBondContact O-N 2.93Å; D81-A83 PolarHBondContact O-N 3Å; D81-Y85 PolarHBondContact O-OH 3.25Å
82	T	96.9	Very high	92.4	Very high	35 Å²	35	42.5 Å²	42.5	22%	0.215	23%	0.229	C	C	.	.			trans	-65.8	110.7	171.6	-65.4	0	0	0	0	110.6	T79 E80 V105 V107	T79-T82 VanDerWaalsContact O-CB 3.25Å; T79-T82 WeakPolarHBondContact O-CB 3.37Å; T79-T82 PolarHBondContact O-N 2.74Å; T79-T82 VanDerWaalsContact O-N 3.15Å; T79-T82 PolarHBondContact O-OG1 3.35Å; E80-T82 PolarHBondContact O-N 2.77Å; T82-V105 WeakPolarHBondContact CA-O 3.33Å; T82-V107 PolarHBondContact OG1-N 2.84Å
83	A	97.4	Very high	90.7	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.033	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	169.3	-175.5	0	0	0	0	0	111.2	R30 K31 F32 D81 Y85 V105	R30-A83 HydrophobicContact CB-CB 3.91Å; R30-A83 HydrophobicContact CG-CB 4.39Å; K31-A83 WeakPolarHBondContact O-CA 3.39Å; K31-A83 WeakPolarHBondContact O-CB 3.26Å; F32-A83 HydrophobicContact CD1-CB 4Å; F32-A83 HydrophobicContact CE1-CB 4.2Å; D81-A83 PolarHBondContact O-N 3Å; A83-Y85 HydrophobicContact CB-CD2 4.35Å; A83-Y85 HydrophobicContact CB-CE2 3.83Å; A83-Y85 WeakPolarHBondContact O-CD2 3.42Å; A83-V105 PolarHBondContact N-O 2.58Å; A83-V105 VanDerWaalsContact N-O 3.14Å; A83-V105 PolarHBondContact O-N 3.08Å
84	T	97.7	Very high	89.1	Confident	35 Å²	35	51.4 Å²	51.4	22%	0.215	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	124.7	161.7	-51.7	0	0	0	0	109.4	R30 K31 Y86 T103	R30-T84 CarbonylContact C-O 3.43Å; R30-T84 WeakPolarHBondContact CA-O 3.13Å; K31-T84 PolarHBondContact N-O 3.4Å; K31-T84 PolarHBondContact O-N 2.89Å; T84-Y86 HydrophobicContact CG2-CD2 4.34Å; T84-Y86 HydrophobicContact CG2-CE1 4.1Å; T84-Y86 HydrophobicContact CG2-CE2 3.51Å; T84-Y86 VanDerWaalsContact CG2-OH 3.28Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.46Å; T84-Y86 WeakPolarHBondContact O-CD2 3.1Å; T84-Y86 VanDerWaalsContact O-CE2 3.29Å; T84-Y86 WeakPolarHBondContact O-CE2 2.91Å; T84-T103 WeakPolarHBondContact CA-O 3.48Å
85	Y	97.3	Very high	87.7	Confident	1 Å²	1	53.8 Å²	53.8	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129.1	-175.9	-68.9	-101.2	0	0	0	110.5	L10 L12 R30 M40 L72 D81 A83 G102 T103 V105	L10-Y85 HydrophobicContact CD2-CE1 4.37Å; L10-Y85 HydrophobicContact CD2-CE2 4.09Å; L12-Y85 VanDerWaalsContact CD1-CB 3.41Å; L12-Y85 HydrophobicContact CD1-CD1 3.68Å; L12-Y85 HydrophobicContact CD1-CD2 4.02Å; L12-Y85 HydrophobicContact CD1-CE1 4.45Å; L12-Y85 HydrophobicContact CD1-CG 3.42Å; L12-Y85 VanDerWaalsContact CD1-CG 3.42Å; R30-Y85 HydrophobicContact CB-CD1 3.79Å; R30-Y85 HydrophobicContact CB-CE1 3.81Å; R30-Y85 HydrophobicContact CB-CG 4.24Å; R30-Y85 HydrophobicContact CG-CE1 4.4Å; R30-Y85 PolarHBondContact NH1-OH 2.64Å; M40-Y85 HydrophobicContact CE-CD1 4.28Å; M40-Y85 HydrophobicContact CE-CE1 3.78Å; M40-Y85 HydrophobicContact SD-CD1 3.67Å; M40-Y85 HydrophobicContact SD-CE1 3.62Å; L72-Y85 HydrophobicContact CD2-CD1 3.91Å; L72-Y85 HydrophobicContact CD2-CE1 4.35Å; D81-Y85 PolarHBondContact O-OH 3.25Å; A83-Y85 HydrophobicContact CB-CD2 4.35Å; A83-Y85 HydrophobicContact CB-CE2 3.83Å; A83-Y85 WeakPolarHBondContact O-CD2 3.42Å; Y85-G102 CarbonylContact O-C 3.58Å; Y85-G102 WeakPolarHBondContact O-CA 3.34Å; Y85-T103 PolarHBondContact N-O 3.11Å; Y85-T103 PolarHBondContact O-N 2.76Å; Y85-V105 HydrophobicContact CD2-CB 4.05Å; Y85-V105 HydrophobicContact CD2-CG2 3.78Å; Y85-V105 HydrophobicContact CE2-CB 3.87Å; Y85-V105 HydrophobicContact CE2-CG2 4.04Å
86	Y	95.8	Very high	86.6	Confident	43 Å²	43	54.6 Å²	54.6	17%	0.169	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.8	-176.8	-59.1	-93.3	0	0	0	109.8	W28 I29 K31 T84 W99 G100 G102	W28-Y86 WeakPolarHBondContact CA-O 3.27Å; W28-Y86 VanDerWaalsContact CE3-O 3.32Å; I29-Y86 PolarHBondContact N-O 2.69Å; I29-Y86 PolarHBondContact O-N 3.02Å; K31-Y86 HydrophobicContact CB-CD2 4.33Å; K31-Y86 HydrophobicContact CB-CE2 3.64Å; K31-Y86 HydrophobicContact CD-CE2 4.3Å; T84-Y86 HydrophobicContact CG2-CD2 4.34Å; T84-Y86 HydrophobicContact CG2-CE1 4.1Å; T84-Y86 HydrophobicContact CG2-CE2 3.51Å; T84-Y86 VanDerWaalsContact CG2-OH 3.28Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.46Å; T84-Y86 WeakPolarHBondContact O-CD2 3.1Å; T84-Y86 VanDerWaalsContact O-CE2 3.29Å; T84-Y86 WeakPolarHBondContact O-CE2 2.91Å; Y86-W99 HydrophobicContact CD1-CE3 4.01Å; Y86-W99 HydrophobicContact CD2-CZ3 4.26Å; Y86-W99 AromaticContact CG-CE3 3.82Å; Y86-W99 HydrophobicContact CG-CE3 3.82Å; Y86-W99 AromaticContact CG-CZ3 3.97Å; Y86-W99 HydrophobicContact CG-CZ3 3.97Å; Y86-G100 WeakPolarHBondContact CD1-O 3.27Å; Y86-G102 VanDerWaalsContact CD1-CA 3.5Å
87	C	93.6	Very high	85.6	Confident	10 Å²	10	56.2 Å²	56.2	7%	0.068	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	139.2	158.6	54.8	0	0	0	0	109	C14 N27 W28 G100	C14-C87 HydrophobicContact CB-CB 3.48Å; C14-C87 VanDerWaalsContact CB-CB 3.48Å; C14-C87 WeakPolarHBondContact CB-SG 3.43Å; C14-C87 WeakPolarHBondContact SG-CB 3.25Å; C14-C87 CovalentContact SG-SG 2.03Å; C14-C87 PolarHBondContact SG-SG 3.01Å; N27-C87 CarbonylContact O-C 3.6Å; N27-C87 VanDerWaalsContact O-CA 3.23Å; N27-C87 WeakPolarHBondContact O-CA 3.48Å; W28-C87 HydrophobicContact CH2-CB 4.35Å; W28-C87 HydrophobicContact CZ2-CB 4.45Å; W28-C87 HydrophobicContact CZ3-CB 4.37Å; C87-G100 PolarHBondContact O-N 3.3Å
88	A	92.1	Very high	84.9	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	141.1	178.2	0	0	0	0	0	111.6	N27 I29 M96 Y98 W99	N27-A88 WeakPolarHBondContact CB-O 3.29Å; N27-A88 PolarHBondContact N-O 3.27Å; N27-A88 PolarHBondContact ND2-O 2.87Å; N27-A88 PolarHBondContact O-N 2.97Å; I29-A88 HydrophobicContact CD1-CB 3.97Å; A88-M96 HydrophobicContact CB-SD 4.29Å; A88-Y98 CarbonylContact C-O 3.45Å; A88-Y98 WeakPolarHBondContact CA-O 3.23Å; A88-Y98 WeakPolarHBondContact CB-O 3.31Å; A88-W99 HydrophobicContact CB-CD2 3.98Å; A88-W99 HydrophobicContact CB-CE3 4.5Å; A88-W99 HydrophobicContact CB-CG 4.11Å
89	R	89.5	Confident	84.6	Confident	59 Å²	59	63.3 Å²	63.3	22%	0.223	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	134.9	174.5	-171.1	-178.9	174.8	-139.2	-6.5	109.6	D19 S23 Y25 W26 M96 D97 Y98	D19-R89 IonicContact OD1-CZ 3.72Å; D19-R89 IonicContact OD1-NH1 2.76Å; D19-R89 WeakPolarHBondContact OD2-CD 3.35Å; D19-R89 IonicContact OD2-CZ 2.63Å; D19-R89 IonicContact OD2-NE 3.73Å; D19-R89 PolarHBondContact OD2-NE 2.83Å; D19-R89 IonicContact OD2-NH1 3.18Å; D19-R89 PolarHBondContact OD2-NH1 3.18Å; S23-R89 PolarHBondContact O-NH2 3.02Å; S23-R89 VanDerWaalsContact OG-CZ 3.25Å; S23-R89 PolarHBondContact OG-NE 3.12Å; S23-R89 PolarHBondContact OG-NH2 2.85Å; Y25-R89 WeakPolarHBondContact O-CA 3.09Å; W26-R89 HydrophobicContact CD2-CB 4.33Å; W26-R89 HydrophobicContact CE3-CB 4.27Å; W26-R89 HydrophobicContact CH2-CB 3.91Å; W26-R89 HydrophobicContact CH2-CG 4.44Å; W26-R89 HydrophobicContact CZ2-CB 3.96Å; W26-R89 HydrophobicContact CZ2-CG 3.99Å; W26-R89 HydrophobicContact CZ3-CB 4.06Å; R89-M96 CarbonylContact O-C 3.45Å; R89-M96 WeakPolarHBondContact O-CA 3.32Å; R89-D97 PolarHBondContact O-N 3.44Å; R89-Y98 PolarHBondContact N-O 3.03Å
90	T	85.3	Confident	84.4	Confident	17 Å²	17	59.8 Å²	59.8	10%	0.104	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.6	167.9	-57	0	0	0	0	109.1	Y25 N27 A95 M96	Y25-T90 PolarHBondContact N-O 3.35Å; Y25-T90 PolarHBondContact O-N 2.92Å; N27-T90 PolarHBondContact ND2-OG1 3.19Å; T90-A95 WeakPolarHBondContact CA-O 3.39Å; T90-M96 WeakPolarHBondContact OG1-CG 3.3Å
91	S	71.6	Confident	84.3	Confident	33 Å²	33	61.4 Å²	61.4	23%	0.231	31%	0.313	C	S	.	.			trans	-83.8	173.6	173.5	70.4	0	0	0	0	111	G93 Y94 A95 D97	S91-G93 PolarHBondContact O-N 2.9Å; S91-Y94 PolarHBondContact O-N 3.09Å; S91-Y94 VanDerWaalsContact O-N 3.12Å; S91-A95 PolarHBondContact N-O 3.09Å; S91-D97 WeakPolarHBondContact CB-OD2 3.48Å; S91-D97 PolarHBondContact OG-OD2 3.38Å
92	I	62.8	Low	84.1	Confident	158 Å²	158	62.6 Å²	62.6	81%	0.81	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-6.6	-174.8	-48.1	173.9	0	0	0	112
93	G	61.3	Low	84.1	Confident	56 Å²	56	63.3 Å²	63.3	58%	0.577	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	13.7	175.8	0	0	0	0	0	116.4	S91 A95	S91-G93 PolarHBondContact O-N 2.9Å; G93-A95 PolarHBondContact O-N 2.86Å; G93-A95 VanDerWaalsContact O-N 3.15Å
94	Y	62.9	Low	84	Confident	212 Å²	212	65.5 Å²	65.5	83%	0.831	35%	0.346	S	S	*	.	S	Bend	trans	68.5	-1.4	175.9	-52.1	-79.3	0	0	0	117.7	S91	S91-Y94 PolarHBondContact O-N 3.09Å; S91-Y94 VanDerWaalsContact O-N 3.12Å
95	A	67.5	Low	84	Confident	50 Å²	50	63.9 Å²	63.9	41%	0.413	34%	0.336	S	S	.	.			trans	-81.7	139	171	0	0	0	0	0	111.3	T90 S91 G93 D97	T90-A95 WeakPolarHBondContact CA-O 3.39Å; S91-A95 PolarHBondContact N-O 3.09Å; G93-A95 PolarHBondContact O-N 2.86Å; G93-A95 VanDerWaalsContact O-N 3.15Å; A95-D97 WeakPolarHBondContact CB-OD1 3.17Å; A95-D97 PolarHBondContact O-N 3.06Å
96	M	73.9	Confident	84	Confident	69 Å²	69	66.5 Å²	66.5	34%	0.34	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	84.2	172	-75.5	178.5	173.8	0	0	109.2	N27 I29 A88 R89 T90 Y98 W99	N27-M96 HydrophobicContact CB-CE 4.11Å; I29-M96 HydrophobicContact CD1-CE 3.65Å; I29-M96 HydrophobicContact CD1-SD 3.44Å; I29-M96 WeakPolarHBondContact CD1-SD 3.36Å; I29-M96 HydrophobicContact CG1-CE 4.49Å; A88-M96 HydrophobicContact CB-SD 4.29Å; R89-M96 CarbonylContact O-C 3.45Å; R89-M96 WeakPolarHBondContact O-CA 3.32Å; T90-M96 WeakPolarHBondContact OG1-CG 3.3Å; M96-Y98 VanDerWaalsContact C-N 3.31Å; M96-Y98 PolarHBondContact O-N 2.88Å; M96-W99 PolarHBondContact O-NE1 3.33Å; M96-W99 HydrophobicContact SD-CZ2 3.79Å
97	D	74.3	Confident	83.9	Confident	103 Å²	103	64.7 Å²	64.7	55%	0.551	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	-20.7	-168	-55.1	-33.5	0	0	0	113.2	R89 S91 A95	R89-D97 PolarHBondContact O-N 3.44Å; S91-D97 WeakPolarHBondContact CB-OD2 3.48Å; S91-D97 PolarHBondContact OG-OD2 3.38Å; A95-D97 WeakPolarHBondContact CB-OD1 3.17Å; A95-D97 PolarHBondContact O-N 3.06Å
98	Y	82.3	Confident	83.8	Confident	112 Å²	112	66.6 Å²	66.6	44%	0.439	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	134	-178.4	-175.5	-97.7	0	0	0	111.9	W26 A88 R89 M96	W26-Y98 HydrophobicContact CH2-CD1 4.27Å; W26-Y98 HydrophobicContact CZ3-CD1 4.4Å; A88-Y98 CarbonylContact C-O 3.45Å; A88-Y98 WeakPolarHBondContact CA-O 3.23Å; A88-Y98 WeakPolarHBondContact CB-O 3.31Å; R89-Y98 PolarHBondContact N-O 3.03Å; M96-Y98 VanDerWaalsContact C-N 3.31Å; M96-Y98 PolarHBondContact O-N 2.88Å
99	W	89.4	Confident	83.3	Confident	92 Å²	92	73.8 Å²	73.8	35%	0.348	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136.5	175	-72.4	63.8	0	0	0	109.7	I29 L37 Y86 A88 M96	I29-W99 HydrophobicContact CB-CH2 4.3Å; I29-W99 HydrophobicContact CB-CZ3 4.25Å; I29-W99 HydrophobicContact CD1-CH2 3.32Å; I29-W99 HydrophobicContact CD1-CZ2 3.64Å; I29-W99 HydrophobicContact CD1-CZ3 3.84Å; I29-W99 HydrophobicContact CG1-CH2 4.39Å; I29-W99 HydrophobicContact CG2-CH2 4.03Å; I29-W99 HydrophobicContact CG2-CZ3 4.21Å; L37-W99 HydrophobicContact CD1-CH2 4.48Å; Y86-W99 HydrophobicContact CD1-CE3 4.01Å; Y86-W99 HydrophobicContact CD2-CZ3 4.26Å; Y86-W99 AromaticContact CG-CE3 3.82Å; Y86-W99 HydrophobicContact CG-CE3 3.82Å; Y86-W99 AromaticContact CG-CZ3 3.97Å; Y86-W99 HydrophobicContact CG-CZ3 3.97Å; A88-W99 HydrophobicContact CB-CD2 3.98Å; A88-W99 HydrophobicContact CB-CE3 4.5Å; A88-W99 HydrophobicContact CB-CG 4.11Å; M96-W99 PolarHBondContact O-NE1 3.33Å; M96-W99 HydrophobicContact SD-CZ2 3.79Å
100	G	90.1	Very high	83	Confident	13 Å²	13	74.5 Å²	74.5	13%	0.134	42%	0.418	C	S	.	.			trans	-66.2	165.3	167.9	0	0	0	0	0	111.7	Y86 C87 G102	Y86-G100 WeakPolarHBondContact CD1-O 3.27Å; C87-G100 PolarHBondContact O-N 3.3Å; G100-G102 PolarHBondContact O-N 2.76Å; G100-G102 VanDerWaalsContact O-N 3.07Å
101	Q	91.9	Very high	82.9	Confident	185 Å²	185	77.5 Å²	77.5	86%	0.864	44%	0.435	S	S	*	.			trans	-60.9	-19.7	179.7	-65.7	-62.8	-42.8	0	0	113.9
102	G	93.6	Very high	83.5	Confident	28 Å²	28	80 Å²	80	29%	0.289	45%	0.446	S	S	.	.			trans	84.2	147.6	-178.7	0	0	0	0	0	112.9	Y85 Y86 G100	Y85-G102 CarbonylContact O-C 3.58Å; Y85-G102 WeakPolarHBondContact O-CA 3.34Å; Y86-G102 VanDerWaalsContact CD1-CA 3.5Å; G100-G102 PolarHBondContact O-N 2.76Å; G100-G102 VanDerWaalsContact O-N 3.07Å
103	T	95.9	Very high	84.7	Confident	50 Å²	50	75.4 Å²	75.4	31%	0.307	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	112.9	177.2	-58.9	0	0	0	0	109.1	L12 T84 Y85 V105	L12-T103 HydrophobicContact CD2-CG2 3.73Å; T84-T103 WeakPolarHBondContact CA-O 3.48Å; Y85-T103 PolarHBondContact N-O 3.11Å; Y85-T103 PolarHBondContact O-N 2.76Å; T103-V105 HydrophobicContact CG2-CG2 4.25Å; T103-V105 PolarHBondContact O-N 3.43Å
104	S	96.5	Very high	86.2	Confident	50 Å²	50	76.6 Å²	76.6	35%	0.35	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	125.8	173.9	-173.1	0	0	0	0	110	P1 S2	P1-S104 CarbonylContact C-O 3.57Å; P1-S104 WeakPolarHBondContact CA-O 2.85Å; S2-S104 PolarHBondContact N-O 2.81Å
105	V	96.8	Very high	87.8	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.006	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	130.9	176.3	-179.4	0	0	0	0	109	S2 V4 L10 L12 T82 A83 Y85 T103 V107	S2-V105 WeakPolarHBondContact O-CA 3.48Å; V4-V105 HydrophobicContact CG2-CG1 4.15Å; L10-V105 HydrophobicContact CD1-CG1 4.01Å; L10-V105 HydrophobicContact CD1-CG2 3.99Å; L10-V105 HydrophobicContact CD2-CB 4.47Å; L10-V105 HydrophobicContact CD2-CG1 4.03Å; L10-V105 HydrophobicContact CD2-CG2 4.14Å; L12-V105 HydrophobicContact CD2-CG2 4.16Å; T82-V105 WeakPolarHBondContact CA-O 3.33Å; A83-V105 PolarHBondContact N-O 2.58Å; A83-V105 VanDerWaalsContact N-O 3.14Å; A83-V105 PolarHBondContact O-N 3.08Å; Y85-V105 HydrophobicContact CD2-CB 4.05Å; Y85-V105 HydrophobicContact CD2-CG2 3.78Å; Y85-V105 HydrophobicContact CE2-CB 3.87Å; Y85-V105 HydrophobicContact CE2-CG2 4.04Å; T103-V105 HydrophobicContact CG2-CG2 4.25Å; T103-V105 PolarHBondContact O-N 3.43Å; V105-V107 HydrophobicContact CG1-CG2 4.42Å
106	T	96.5	Very high	89.2	Confident	56 Å²	56	68.9 Å²	68.9	34%	0.344	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	127	173.9	-59.2	0	0	0	0	108.9	S2 L3 V4	S2-T106 PolarHBondContact O-N 2.95Å; L3-T106 WeakPolarHBondContact CA-O 3.3Å; L3-T106 HydrophobicContact CD1-CG2 4.12Å; V4-T106 PolarHBondContact N-O 2.82Å
107	V	94.6	Very high	90.4	Very high	5 Å²	5	68.8 Å²	68.8	3%	0.03	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	114.5	173.8	-174.4	0	0	0	0	108.7	V4 P6 V77 T78 T82 V105	V4-V107 VanDerWaalsContact O-CA 3.27Å; V4-V107 WeakPolarHBondContact O-CA 3.43Å; P6-V107 HydrophobicContact CG-CG1 4.23Å; V77-V107 HydrophobicContact CB-CG2 4.2Å; V77-V107 HydrophobicContact CG2-CG1 3.95Å; V77-V107 HydrophobicContact CG2-CG2 4.03Å; T78-V107 VanDerWaalsContact O-CB 3.29Å; T78-V107 WeakPolarHBondContact O-CB 3.46Å; T78-V107 WeakPolarHBondContact O-CG1 3.36Å; T78-V107 WeakPolarHBondContact O-CG2 3.01Å; T82-V107 PolarHBondContact OG1-N 2.84Å; V105-V107 HydrophobicContact CG1-CG2 4.42Å
108	S	91.5	Very high	91.7	Very high	49 Å²	49	66 Å²	66	34%	0.343	38%	0.376	S	S	.	.			trans	-145.4	151	179.1	65.2	0	0	0	0	111.4	L3 V4	L3-S108 WeakPolarHBondContact CD1-OG 3.49Å; V4-S108 PolarHBondContact O-N 3.42Å
109	S	81.6	Confident	92.6	Very high	151 Å²	151	61.8 Å²	61.8	100%	1.056	37%	0.37	S	S	*	.			trans	-73.2	0	174	55.8	0	0	0	0	112.3

Retrieved 109 of 109 residues in 35.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).