A0A075B5M1_MOUSE Loading...

Immunoglobulin kappa variable 4-63

AlphaFold DB , UniProt , Accession A0A075B5M1, Species MOUSE (Mus musculus, Mouse), Gene Igkv4-63, Length 95 aa.

						>A0A075B5M1_MOUSE|A0A075B5M1|Igkv4-63
ENVLTQSPAIMSASPGEKVTMTCSASSSVSYMHWYQQKSSTSPKLWIYDTSKLASGVPGRFSGSGSGNSYSLTISSMEAEDVATYYCFQGSGYPL
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	E	67.3	Low	91.7	Very high	233 Å²	233	94.7 Å²	94.7	100%	1.089	54%	0.536	S	S	*	.				0	137.3	0	-170.1	171.9	173.5	0	0	108
2	N	84	Confident	91.9	Very high	51 Å²	51	96.4 Å²	96.4	27%	0.273	56%	0.558	S	S	.	*			trans	-97.4	128.8	-179.6	-80.4	-12.3	0	0	0	109.4	S26 S27 Q89	N2-S26 WeakPolarHBondContact CA-OG 3.47Å; N2-S27 PolarHBondContact ND2-OG 3.02Å; N2-S27 VanDerWaalsContact ND2-OG 3.16Å; N2-S27 PolarHBondContact OD1-OG 2.85Å; N2-Q89 PolarHBondContact ND2-OE1 3.08Å
3	V	92.4	Very high	92.1	Very high	89 Å²	89	91.8 Å²	91.8	54%	0.539	54%	0.539	S	S	.	.			trans	-97.2	131.5	178.8	-178.2	0	0	0	0	108.4	A25 S26	V3-A25 CarbonylContact O-C 3.56Å; V3-A25 WeakPolarHBondContact O-CA 3.31Å; V3-S26 PolarHBondContact N-OG 3.49Å; V3-S26 PolarHBondContact O-N 3.42Å
4	L	94.7	Very high	92.4	Very high	47 Å²	47	90 Å²	90	25%	0.246	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	132.6	174.7	-59.3	-178.1	0	0	0	109.6	S24 A25 M32 Q89	L4-S24 CarbonylContact C-O 3.18Å; L4-S24 WeakPolarHBondContact CA-O 3.34Å; L4-A25 HydrophobicContact CD2-CB 3.57Å; L4-M32 HydrophobicContact CD1-CE 4.49Å; L4-M32 HydrophobicContact CD1-SD 4.43Å; L4-M32 HydrophobicContact CD2-CE 3.99Å; L4-Q89 HydrophobicContact CD1-CB 4.37Å; L4-Q89 HydrophobicContact CD1-CG 4.35Å
5	T	97.3	Very high	92.7	Very high	90 Å²	90	91.6 Å²	91.6	55%	0.552	55%	0.547	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.8	176.7	-56.4	0	0	0	0	109.4	C23 S24	T5-C23 CarbonylContact O-C 3.46Å; T5-C23 WeakPolarHBondContact O-CA 3.09Å; T5-S24 PolarHBondContact N-O 3Å; T5-S24 PolarHBondContact O-N 2.85Å
6	Q	97.2	Very high	93	Very high	67 Å²	67	88.8 Å²	88.8	31%	0.313	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	146.8	-179.4	-73.1	177.9	-143.7	0	0	112.1	T22 C23 Y85 C87	Q6-T22 VanDerWaalsContact CA-O 3.28Å; Q6-T22 WeakPolarHBondContact CA-O 3.35Å; Q6-C23 HydrophobicContact CG-CB 4.32Å; Q6-Y85 PolarHBondContact NE2-O 2.88Å; Q6-C87 WeakPolarHBondContact CG-SG 3.38Å; Q6-C87 PolarHBondContact OE1-SG 2.76Å; Q6-C87 VanDerWaalsContact OE1-SG 3.37Å
7	S	97.8	Very high	93.3	Very high	65 Å²	65	89.2 Å²	89.2	46%	0.455	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	143.1	175	-176.2	0	0	0	0	112	T22	S7-T22 PolarHBondContact N-O 3.17Å; S7-T22 PolarHBondContact O-N 3.03Å; S7-T22 PolarHBondContact O-OG1 3.49Å
8	P	96.6	Very high	93.6	Very high	51 Å²	51	92.6 Å²	92.6	33%	0.331	54%	0.544	S	S	.	.			cis	-71.3	159.2	-12.4	33.1	-37.4	0	0	0	111.7	M11	P8-M11 HydrophobicContact CG-CB 3.84Å; P8-M11 HydrophobicContact CG-CG 4.23Å; P8-M11 HydrophobicContact CG-SD 3.8Å
9	A	93.3	Very high	93.8	Very high	103 Å²	103	88.3 Å²	88.3	85%	0.851	52%	0.519	S	S	*	.	S	Bend	trans	-70.1	-33.6	177.4	0	0	0	0	0	112.7
10	I	94.6	Very high	94	Very high	158 Å²	158	86.7 Å²	86.7	81%	0.81	51%	0.51	S	S	*	.	S	Bend	trans	-136.9	137.1	176.5	-59.4	176.1	0	0	0	107
11	M	93.3	Very high	94.2	Very high	88 Å²	88	83.7 Å²	83.7	43%	0.433	49%	0.491	S	S	.	.			trans	-141.4	143.9	173.2	-164	160.6	61.7	0	0	110.4	P8 V19 M21	P8-M11 HydrophobicContact CG-CB 3.84Å; P8-M11 HydrophobicContact CG-CG 4.23Å; P8-M11 HydrophobicContact CG-SD 3.8Å; M11-V19 HydrophobicContact CE-CB 3.74Å; M11-V19 HydrophobicContact CE-CG1 3.09Å; M11-V19 HydrophobicContact CE-CG2 3.77Å; M11-M21 HydrophobicContact CE-CG 4.45Å
12	S	94.2	Very high	95.7	Very high	115 Å²	115	75.1 Å²	75.1	80%	0.804	46%	0.455	S	S	*	.			trans	-113.2	138.8	170	55.1	0	0	0	0	108.8
13	A	94.6	Very high	96.3	Very high	37 Å²	37	72.7 Å²	72.7	31%	0.306	44%	0.442	S	S	.	.			trans	-142.6	148.2	175.4	0	0	0	0	0	109.7	E17 V19 M77	A13-E17 WeakPolarHBondContact CA-OE2 3.31Å; A13-E17 HydrophobicContact CB-CB 4.3Å; A13-V19 HydrophobicContact CB-CG2 3.32Å; A13-M77 HydrophobicContact CB-CB 4.43Å; A13-M77 HydrophobicContact CB-CG 4.21Å
14	S	96.7	Very high	96.5	Very high	66 Å²	66	71 Å²	71	46%	0.462	43%	0.434	S	S	.	.			trans	-81.5	154.6	174.1	-55	0	0	0	0	110.5	G16 E17	S14-G16 PolarHBondContact O-N 3.07Å; S14-E17 PolarHBondContact N-OE2 2.94Å; S14-E17 VanDerWaalsContact O-CB 3.31Å; S14-E17 WeakPolarHBondContact O-CB 3.41Å; S14-E17 PolarHBondContact O-N 3.29Å
15	P	96.7	Very high	96.6	Very high	114 Å²	114	69.2 Å²	69.2	74%	0.74	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	134.2	173.7	-26.5	35.3	0	0	0	112	E17 M77	P15-E17 VanDerWaalsContact C-N 3.3Å; P15-E17 PolarHBondContact O-N 3.14Å; P15-M77 CarbonylContact C-O 3.52Å; P15-M77 VanDerWaalsContact CA-O 3.31Å; P15-M77 WeakPolarHBondContact CA-O 3.35Å
16	G	97.8	Very high	96.4	Very high	47 Å²	47	68.5 Å²	68.5	49%	0.485	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	-12.4	-176.5	0	0	0	0	0	115.2	S14 M77	S14-G16 PolarHBondContact O-N 3.07Å; G16-M77 PolarHBondContact N-O 2.83Å
17	E	98.3	Very high	96.2	Very high	96 Å²	96	67.7 Å²	67.7	45%	0.449	43%	0.427	S	S	.	.			trans	-73.8	149.7	176.9	-70.1	-174.6	156.7	0	0	112	A13 S14 P15 M77	A13-E17 WeakPolarHBondContact CA-OE2 3.31Å; A13-E17 HydrophobicContact CB-CB 4.3Å; S14-E17 PolarHBondContact N-OE2 2.94Å; S14-E17 VanDerWaalsContact O-CB 3.31Å; S14-E17 WeakPolarHBondContact O-CB 3.41Å; S14-E17 PolarHBondContact O-N 3.29Å; P15-E17 VanDerWaalsContact C-N 3.3Å; P15-E17 PolarHBondContact O-N 3.14Å; E17-M77 WeakPolarHBondContact O-CB 3.33Å; E17-M77 PolarHBondContact O-N 2.8Å
18	K	98.1	Very high	96	Very high	149 Å²	149	68.7 Å²	68.7	65%	0.648	43%	0.434	S	S	*	.			trans	-82.6	131	172.7	-179.4	-177.4	176.5	-176.9	0	110	T73 I74	K18-T73 HydrophobicContact CD-CG2 4.4Å; K18-T73 VanDerWaalsContact CE-CG2 3.42Å; K18-T73 HydrophobicContact CG-CG2 4.16Å; K18-I74 CarbonylContact C-O 3.51Å; K18-I74 WeakPolarHBondContact CA-O 3.18Å
19	V	97.3	Very high	95.7	Very high	11 Å²	11	67 Å²	67	7%	0.067	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.6	178	156.4	0	0	0	0	108.9	M11 A13 M21 T73 I74 M77	M11-V19 HydrophobicContact CE-CB 3.74Å; M11-V19 HydrophobicContact CE-CG1 3.09Å; M11-V19 HydrophobicContact CE-CG2 3.77Å; A13-V19 HydrophobicContact CB-CG2 3.32Å; V19-M21 HydrophobicContact CG1-CE 4.25Å; V19-T73 CarbonylContact O-C 3.55Å; V19-T73 VanDerWaalsContact O-CA 3.27Å; V19-T73 WeakPolarHBondContact O-CA 3.29Å; V19-I74 HydrophobicContact CB-CB 4.16Å; V19-I74 HydrophobicContact CB-CD1 4.37Å; V19-I74 HydrophobicContact CB-CG1 4.29Å; V19-I74 HydrophobicContact CG1-CD1 3.97Å; V19-I74 HydrophobicContact CG1-CG1 4.1Å; V19-I74 PolarHBondContact N-O 2.78Å; V19-I74 PolarHBondContact O-N 2.69Å; V19-M77 HydrophobicContact CG2-SD 4.18Å
20	T	98.1	Very high	95.4	Very high	57 Å²	57	66.4 Å²	66.4	35%	0.35	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.6	169.5	-62.3	0	0	0	0	109.8	L72 T73	T20-L72 CarbonylContact C-O 3.55Å; T20-L72 WeakPolarHBondContact CA-O 3.2Å; T20-T73 PolarHBondContact OG1-OG1 2.98Å
21	M	97.7	Very high	95.2	Very high	23 Å²	23	63.5 Å²	63.5	11%	0.113	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.2	169.9	-66.2	167.5	-79.8	0	0	108.5	M11 V19 W34 S71 L72 I74 Y85	M11-M21 HydrophobicContact CE-CG 4.45Å; V19-M21 HydrophobicContact CG1-CE 4.25Å; M21-W34 HydrophobicContact CB-CH2 4.41Å; M21-S71 CarbonylContact O-C 3.6Å; M21-S71 WeakPolarHBondContact O-CA 3.23Å; M21-S71 VanDerWaalsContact O-CB 3.28Å; M21-S71 WeakPolarHBondContact O-CB 3.47Å; M21-L72 HydrophobicContact CE-CB 4.35Å; M21-L72 HydrophobicContact CE-CD2 3.51Å; M21-L72 HydrophobicContact CE-CG 3.95Å; M21-L72 PolarHBondContact N-O 2.78Å; M21-L72 PolarHBondContact O-N 2.78Å; M21-I74 HydrophobicContact CE-CD1 4.46Å; M21-Y85 HydrophobicContact CE-CD1 4.5Å; M21-Y85 HydrophobicContact CE-CD2 3.62Å; M21-Y85 HydrophobicContact CE-CE2 4.15Å; M21-Y85 HydrophobicContact CE-CG 3.8Å; M21-Y85 HydrophobicContact SD-CD2 3.98Å; M21-Y85 HydrophobicContact SD-CG 4.24Å
22	T	98.2	Very high	95.2	Very high	54 Å²	54	59.3 Å²	59.3	33%	0.331	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	154.6	177.6	62.3	0	0	0	0	111.3	Q6 S7 Y70	Q6-T22 VanDerWaalsContact CA-O 3.28Å; Q6-T22 WeakPolarHBondContact CA-O 3.35Å; S7-T22 PolarHBondContact N-O 3.17Å; S7-T22 PolarHBondContact O-N 3.03Å; S7-T22 PolarHBondContact O-OG1 3.49Å; T22-Y70 CarbonylContact C-O 3.58Å; T22-Y70 VanDerWaalsContact CA-O 3.29Å; T22-Y70 WeakPolarHBondContact CA-O 3.01Å
23	C	97.6	Very high	95.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	118.6	172.9	177.2	0	0	0	0	108.8	T5 Q6 W34 Y70 C87	T5-C23 CarbonylContact O-C 3.46Å; T5-C23 WeakPolarHBondContact O-CA 3.09Å; Q6-C23 HydrophobicContact CG-CB 4.32Å; C23-W34 HydrophobicContact CB-CH2 3.68Å; C23-W34 HydrophobicContact CB-CZ2 3.72Å; C23-Y70 PolarHBondContact N-O 2.81Å; C23-Y70 PolarHBondContact O-N 3.35Å; C23-C87 HydrophobicContact CB-CB 3.46Å; C23-C87 VanDerWaalsContact CB-CB 3.46Å; C23-C87 WeakPolarHBondContact CB-SG 3.37Å; C23-C87 WeakPolarHBondContact SG-CB 3.27Å; C23-C87 CovalentContact SG-SG 2.03Å; C23-C87 PolarHBondContact SG-SG 2.62Å
24	S	97.3	Very high	95.4	Very high	54 Å²	54	52.1 Å²	52.1	38%	0.378	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	131.1	177.7	-61.2	0	0	0	0	110.1	L4 T5 N68	L4-S24 CarbonylContact C-O 3.18Å; L4-S24 WeakPolarHBondContact CA-O 3.34Å; T5-S24 PolarHBondContact N-O 3Å; T5-S24 PolarHBondContact O-N 2.85Å; S24-N68 CarbonylContact C-O 3.54Å; S24-N68 WeakPolarHBondContact CA-O 3.19Å
25	A	95.3	Very high	95.4	Very high	8 Å²	8	51.2 Å²	51.2	7%	0.066	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	146.6	175.7	0	0	0	0	0	110.9	V3 L4 S27 V29 N68	V3-A25 CarbonylContact O-C 3.56Å; V3-A25 WeakPolarHBondContact O-CA 3.31Å; L4-A25 HydrophobicContact CD2-CB 3.57Å; A25-S27 WeakPolarHBondContact CB-O 3.17Å; A25-S27 PolarHBondContact O-N 2.88Å; A25-V29 HydrophobicContact CB-CG1 3.9Å; A25-N68 HydrophobicContact CB-CB 4.37Å; A25-N68 PolarHBondContact N-O 2.84Å; A25-N68 WeakPolarHBondContact O-CB 3.35Å
26	S	94.9	Very high	95.4	Very high	76 Å²	76	46.4 Å²	46.4	53%	0.531	27%	0.273	S	S	.	.	S	Bend	trans	-67.3	-19.3	176.2	63	0	0	0	0	113.5	N2 V3	N2-S26 WeakPolarHBondContact CA-OG 3.47Å; V3-S26 PolarHBondContact N-OG 3.49Å; V3-S26 PolarHBondContact O-N 3.42Å
27	S	92.8	Very high	95.4	Very high	50 Å²	50	46.8 Å²	46.8	35%	0.35	26%	0.262	S	S	.	.	S	Bend	trans	-145.9	171.8	171.2	79.7	0	0	0	0	110.2	N2 A25	N2-S27 PolarHBondContact ND2-OG 3.02Å; N2-S27 VanDerWaalsContact ND2-OG 3.16Å; N2-S27 PolarHBondContact OD1-OG 2.85Å; A25-S27 WeakPolarHBondContact CB-O 3.17Å; A25-S27 PolarHBondContact O-N 2.88Å
28	S	91.7	Very high	95.2	Very high	86 Å²	86	46 Å²	46	60%	0.601	26%	0.257	S	S	*	.			trans	-62.9	137.9	179.9	-170.2	0	0	0	0	111.5	G67	S28-G67 CarbonylContact C-O 3.51Å; S28-G67 VanDerWaalsContact CA-O 3.27Å; S28-G67 WeakPolarHBondContact CA-O 3.27Å; S28-G67 WeakPolarHBondContact OG-CA 3.29Å; S28-G67 PolarHBondContact OG-O 3.37Å
29	V	90.5	Very high	94.8	Very high	14 Å²	14	44.6 Å²	44.6	9%	0.085	27%	0.265	C	S	.	.			trans	-120.4	151.5	176	-54.6	0	0	0	0	110.8	A25 M32 G67 Y70 Q89	A25-V29 HydrophobicContact CB-CG1 3.9Å; V29-M32 HydrophobicContact CG2-CE 4.04Å; V29-G67 PolarHBondContact N-O 2.79Å; V29-Y70 HydrophobicContact CG2-CD2 4.35Å; V29-Y70 HydrophobicContact CG2-CE2 3.38Å; V29-Y70 VanDerWaalsContact CG2-CZ 3.5Å; V29-Y70 VanDerWaalsContact CG2-OH 3.25Å; V29-Y70 WeakPolarHBondContact CG2-OH 3.29Å; V29-Y70 PolarHBondContact O-OH 2.94Å; V29-Q89 HydrophobicContact CB-CB 4.2Å; V29-Q89 HydrophobicContact CG1-CB 3.9Å
30	S	88.3	Confident	94.2	Very high	92 Å²	92	50.4 Å²	50.4	64%	0.643	31%	0.307	S	S	*	.	S	Bend	trans	-77.2	-45.7	-178.9	-57.6	0	0	0	0	111.7
31	Y	89	Confident	93.9	Very high	96 Å²	96	51 Å²	51	38%	0.376	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	142.6	179.7	-56.3	-71.7	0	0	0	111.2	D49 G90	Y31-D49 HydrophobicContact CD1-CB 4.14Å; Y31-G90 PolarHBondContact N-O 2.98Å; Y31-G90 PolarHBondContact O-N 2.93Å
32	M	94	Very high	93.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.1	170.8	-171.6	60.4	71.5	0	0	109.9	L4 V29 T50 Y70 C87 F88	L4-M32 HydrophobicContact CD1-CE 4.49Å; L4-M32 HydrophobicContact CD1-SD 4.43Å; L4-M32 HydrophobicContact CD2-CE 3.99Å; V29-M32 HydrophobicContact CG2-CE 4.04Å; M32-T50 PolarHBondContact N-OG1 2.85Å; M32-T50 WeakPolarHBondContact O-CA 3.34Å; M32-T50 PolarHBondContact O-N 2.71Å; M32-Y70 HydrophobicContact CB-CD1 3.33Å; M32-Y70 HydrophobicContact CB-CD2 4.25Å; M32-Y70 HydrophobicContact CB-CE1 3.65Å; M32-Y70 HydrophobicContact CB-CG 3.66Å; M32-Y70 HydrophobicContact CE-CD2 3.46Å; M32-Y70 VanDerWaalsContact CE-CD2 3.46Å; M32-Y70 HydrophobicContact CE-CE2 3.96Å; M32-Y70 HydrophobicContact CE-CG 3.86Å; M32-Y70 HydrophobicContact CG-CD1 3.97Å; M32-Y70 HydrophobicContact CG-CD2 4.38Å; M32-Y70 HydrophobicContact CG-CG 3.81Å; M32-C87 HydrophobicContact CG-CB 4.39Å; M32-C87 HydrophobicContact SD-CB 3.68Å; M32-F88 VanDerWaalsContact SD-O 3.38Å
33	H	95.8	Very high	93.6	Very high	1 Å²	1	55 Å²	55	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	149.3	173.9	-51.2	-83.2	0	0	0	108.8	Y35 L45 I47 Y48 C87 F88 G92	H33-Y35 HydrophobicContact CB-CE2 3.92Å; H33-L45 HydrophobicContact CB-CD1 4.2Å; H33-I47 CarbonylContact C-O 3.56Å; H33-I47 WeakPolarHBondContact CA-O 3.34Å; H33-Y48 VanDerWaalsContact ND1-CA 3.33Å; H33-Y48 WeakPolarHBondContact ND1-CA 3.44Å; H33-Y48 VanDerWaalsContact ND1-CB 3.33Å; H33-Y48 WeakPolarHBondContact ND1-CB 3.35Å; H33-C87 CarbonylContact O-C 3.58Å; H33-C87 VanDerWaalsContact O-CA 3.27Å; H33-C87 WeakPolarHBondContact O-CA 3.47Å; H33-F88 PolarHBondContact CD2-O 3.4Å; H33-F88 PolarHBondContact N-O 2.98Å; H33-F88 PolarHBondContact O-N 3.16Å; H33-G92 PolarHBondContact CE1-O 3.28Å; H33-G92 PolarHBondContact NE2-O 2.8Å
34	W	97	Very high	93.5	Very high	1 Å²	1	60 Å²	60	0%	0.004	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.7	172	-68.4	88.9	0	0	0	109.3	M21 C23 W46 I47 L72 Y86 C87	M21-W34 HydrophobicContact CB-CH2 4.41Å; C23-W34 HydrophobicContact CB-CH2 3.68Å; C23-W34 HydrophobicContact CB-CZ2 3.72Å; W34-W46 WeakPolarHBondContact O-CA 3.26Å; W34-W46 VanDerWaalsContact O-CB 3.25Å; W34-W46 WeakPolarHBondContact O-CB 3.47Å; W34-W46 PolarHBondContact O-N 3.16Å; W34-I47 HydrophobicContact CB-CB 4.06Å; W34-I47 HydrophobicContact CB-CG1 4.4Å; W34-I47 HydrophobicContact CG-CB 4.47Å; W34-I47 PolarHBondContact N-O 2.88Å; W34-I47 PolarHBondContact O-N 2.87Å; W34-L72 HydrophobicContact CB-CD2 4.39Å; W34-L72 HydrophobicContact CD2-CB 3.61Å; W34-L72 HydrophobicContact CD2-CD2 4.04Å; W34-L72 HydrophobicContact CD2-CG 4.33Å; W34-L72 HydrophobicContact CE3-CB 3.8Å; W34-L72 HydrophobicContact CE3-CD2 3.77Å; W34-L72 HydrophobicContact CE3-CG 4.42Å; W34-L72 HydrophobicContact CG-CB 4.17Å; W34-L72 HydrophobicContact CG-CD1 4.41Å; W34-L72 HydrophobicContact CG-CD2 4.31Å; W34-L72 HydrophobicContact CH2-CB 3.93Å; W34-L72 HydrophobicContact CZ2-CB 3.77Å; W34-L72 HydrophobicContact CZ3-CB 3.95Å; W34-L72 HydrophobicContact CZ3-CD2 4.34Å; W34-Y86 CarbonylContact C-O 3.5Å; W34-Y86 VanDerWaalsContact CA-O 3.31Å; W34-Y86 WeakPolarHBondContact CA-O 3.46Å; W34-C87 HydrophobicContact CD2-CB 4.1Å; W34-C87 HydrophobicContact CE3-CB 3.95Å; W34-C87 HydrophobicContact CH2-CB 3.95Å; W34-C87 HydrophobicContact CZ2-CB 4.05Å; W34-C87 HydrophobicContact CZ3-CB 3.89Å
35	Y	96.5	Very high	93.4	Very high	47 Å²	47	58.6 Å²	58.6	18%	0.184	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	141	175.5	-68.9	-101.4	0	0	0	109.4	H33 P43 K44 L45 Y85 Y86 F88 P94	H33-Y35 HydrophobicContact CB-CE2 3.92Å; Y35-P43 HydrophobicContact CD1-CB 4.23Å; Y35-P43 HydrophobicContact CG-CB 4.5Å; Y35-K44 CarbonylContact C-O 3.51Å; Y35-K44 WeakPolarHBondContact CA-O 3.44Å; Y35-L45 HydrophobicContact CD1-CB 4.35Å; Y35-L45 HydrophobicContact CE1-CB 3.99Å; Y35-L45 HydrophobicContact CE1-CD1 4Å; Y35-L45 HydrophobicContact CE2-CD1 4.07Å; Y35-Y85 CarbonylContact O-C 3.58Å; Y35-Y85 VanDerWaalsContact O-CA 3.26Å; Y35-Y85 WeakPolarHBondContact O-CA 3.18Å; Y35-Y86 PolarHBondContact N-O 3.39Å; Y35-Y86 PolarHBondContact O-N 3.04Å; Y35-F88 HydrophobicContact CD2-CB 4.22Å; Y35-F88 HydrophobicContact CE2-CB 3.92Å; Y35-P94 WeakPolarHBondContact OH-CB 3.41Å
36	Q	97.2	Very high	93.5	Very high	13 Å²	13	59.1 Å²	59.1	6%	0.061	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	132.7	170.9	-174.2	-170.7	67.9	0	0	109	K44 W46 A83 Y85	Q36-K44 PolarHBondContact N-O 3.23Å; Q36-K44 PolarHBondContact O-N 3.44Å; Q36-W46 HydrophobicContact CB-CB 4.35Å; Q36-W46 HydrophobicContact CB-CD2 3.86Å; Q36-W46 HydrophobicContact CB-CE3 3.86Å; Q36-W46 HydrophobicContact CB-CG 4.08Å; Q36-W46 HydrophobicContact CB-CZ3 4.49Å; Q36-A83 HydrophobicContact CG-CB 3.37Å; Q36-Y85 HydrophobicContact CB-CD1 4.03Å; Q36-Y85 HydrophobicContact CB-CE1 3.8Å; Q36-Y85 HydrophobicContact CG-CD1 4.18Å; Q36-Y85 HydrophobicContact CG-CE1 3.67Å; Q36-Y85 PolarHBondContact NE2-OH 2.93Å
37	Q	97.1	Very high	93.6	Very high	54 Å²	54	55.5 Å²	55.5	25%	0.252	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	117.8	172.1	-170.9	178.1	27.2	0	0	109.6	T41 P43 A83 T84 Y86	Q37-T41 WeakPolarHBondContact CG-O 3.19Å; Q37-T41 PolarHBondContact NE2-O 2.79Å; Q37-P43 HydrophobicContact CB-CB 4.48Å; Q37-P43 HydrophobicContact CB-CG 4.39Å; Q37-P43 HydrophobicContact CG-CG 4.35Å; Q37-A83 WeakPolarHBondContact O-CB 3.38Å; Q37-T84 PolarHBondContact N-O 3.07Å; Q37-T84 PolarHBondContact O-N 3.19Å; Q37-Y86 HydrophobicContact CB-CD2 4.42Å; Q37-Y86 HydrophobicContact CB-CE2 3.88Å; Q37-Y86 VanDerWaalsContact OE1-CE2 3.26Å; Q37-Y86 PolarHBondContact OE1-OH 3.29Å
38	K	94.5	Very high	93.7	Very high	81 Å²	81	55.5 Å²	55.5	35%	0.352	32%	0.319	S	S	.	.			trans	-88.6	163.7	169.7	-69.1	-175	175.7	-172.9	0	109.5	S40 T41 E80 A83	K38-S40 PolarHBondContact O-N 2.79Å; K38-S40 VanDerWaalsContact O-N 3.14Å; K38-T41 HydrophobicContact CB-CG2 4.23Å; K38-T41 PolarHBondContact N-OG1 2.8Å; K38-T41 PolarHBondContact O-N 2.89Å; K38-T41 PolarHBondContact O-OG1 2.83Å; K38-E80 WeakPolarHBondContact CE-O 3.5Å; K38-E80 PolarHBondContact NZ-O 3.22Å; K38-A83 HydrophobicContact CG-CB 4.06Å
39	S	89.9	Confident	93.8	Very high	118 Å²	118	52.9 Å²	52.9	83%	0.825	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	122.6	179.5	-57.1	0	0	0	0	111.3	T41	S39-T41 VanDerWaalsContact C-N 3.27Å; S39-T41 PolarHBondContact O-N 3.32Å
40	S	84.8	Confident	93.9	Very high	134 Å²	134	53.1 Å²	53.1	94%	0.937	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	18.7	177	-47.6	0	0	0	0	116	K38	K38-S40 PolarHBondContact O-N 2.79Å; K38-S40 VanDerWaalsContact O-N 3.14Å
41	T	91.5	Very high	94.3	Very high	69 Å²	69	52.1 Å²	52.1	42%	0.423	29%	0.293	S	S	.	.	S	Bend	trans	-106.6	162.7	172.2	75.5	0	0	0	0	111.8	Q37 K38 S39	Q37-T41 WeakPolarHBondContact CG-O 3.19Å; Q37-T41 PolarHBondContact NE2-O 2.79Å; K38-T41 HydrophobicContact CB-CG2 4.23Å; K38-T41 PolarHBondContact N-OG1 2.8Å; K38-T41 PolarHBondContact O-N 2.89Å; K38-T41 PolarHBondContact O-OG1 2.83Å; S39-T41 VanDerWaalsContact C-N 3.27Å; S39-T41 PolarHBondContact O-N 3.32Å
42	S	94.1	Very high	94.6	Very high	96 Å²	96	52.3 Å²	52.3	67%	0.671	30%	0.296	S	S	*	.			trans	-68.4	152.1	163.9	51.3	0	0	0	0	110.5	K44	S42-K44 PolarHBondContact O-N 3.22Å
43	P	95.5	Very high	94.8	Very high	65 Å²	65	55 Å²	55	42%	0.422	31%	0.31	S	S	.	.			trans	-60.4	131.1	169.1	-22.3	33.6	0	0	0	111	Y35 Q37	Y35-P43 HydrophobicContact CD1-CB 4.23Å; Y35-P43 HydrophobicContact CG-CB 4.5Å; Q37-P43 HydrophobicContact CB-CB 4.48Å; Q37-P43 HydrophobicContact CB-CG 4.39Å; Q37-P43 HydrophobicContact CG-CG 4.35Å
44	K	95.4	Very high	94.8	Very high	105 Å²	105	55.6 Å²	55.6	46%	0.457	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	136	175.8	-175.1	-173.2	171.5	-171.7	0	109.6	Y35 Q36 S42 W46	Y35-K44 CarbonylContact C-O 3.51Å; Y35-K44 WeakPolarHBondContact CA-O 3.44Å; Q36-K44 PolarHBondContact N-O 3.23Å; Q36-K44 PolarHBondContact O-N 3.44Å; S42-K44 PolarHBondContact O-N 3.22Å; K44-W46 HydrophobicContact CD-CZ3 4.31Å; K44-W46 PolarHBondContact O-N 2.84Å
45	L	95.7	Very high	94.8	Very high	25 Å²	25	61 Å²	61	13%	0.131	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	128.6	171.4	-175.6	67.5	0	0	0	110.1	H33 Y35 Y48 A54 P94	H33-L45 HydrophobicContact CB-CD1 4.2Å; Y35-L45 HydrophobicContact CD1-CB 4.35Å; Y35-L45 HydrophobicContact CE1-CB 3.99Å; Y35-L45 HydrophobicContact CE1-CD1 4Å; Y35-L45 HydrophobicContact CE2-CD1 4.07Å; L45-Y48 HydrophobicContact CD2-CD1 4.3Å; L45-Y48 HydrophobicContact CD2-CG 4.47Å; L45-A54 HydrophobicContact CD2-CB 4.35Å; L45-A54 HydrophobicContact CG-CB 4.17Å; L45-A54 WeakPolarHBondContact O-CB 3.25Å; L45-P94 HydrophobicContact CD1-CG 3.69Å; L45-P94 HydrophobicContact CD2-CG 3.76Å; L45-P94 HydrophobicContact CG-CG 4.32Å
46	W	96.7	Very high	94.8	Very high	18 Å²	18	62 Å²	62	7%	0.068	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	-51.2	-175.5	-150.6	-115	0	0	0	111.2	W34 Q36 K44 A54 V57 F61 Y85	W34-W46 WeakPolarHBondContact O-CA 3.26Å; W34-W46 VanDerWaalsContact O-CB 3.25Å; W34-W46 WeakPolarHBondContact O-CB 3.47Å; W34-W46 PolarHBondContact O-N 3.16Å; Q36-W46 HydrophobicContact CB-CB 4.35Å; Q36-W46 HydrophobicContact CB-CD2 3.86Å; Q36-W46 HydrophobicContact CB-CE3 3.86Å; Q36-W46 HydrophobicContact CB-CG 4.08Å; Q36-W46 HydrophobicContact CB-CZ3 4.49Å; K44-W46 HydrophobicContact CD-CZ3 4.31Å; K44-W46 PolarHBondContact O-N 2.84Å; W46-A54 WeakPolarHBondContact O-CB 3.35Å; W46-A54 PolarHBondContact O-N 3.03Å; W46-V57 HydrophobicContact CD2-CB 4.37Å; W46-V57 HydrophobicContact CD2-CG1 3.95Å; W46-V57 HydrophobicContact CD2-CG2 3.53Å; W46-V57 VanDerWaalsContact CE2-CG1 3.5Å; W46-V57 HydrophobicContact CE3-CG2 3.47Å; W46-V57 VanDerWaalsContact CE3-CG2 3.47Å; W46-V57 HydrophobicContact CG-CG1 4.24Å; W46-V57 HydrophobicContact CG-CG2 4.11Å; W46-V57 HydrophobicContact CH2-CG1 4.49Å; W46-V57 HydrophobicContact CH2-CG2 4.03Å; W46-V57 HydrophobicContact CZ2-CB 4.33Å; W46-V57 HydrophobicContact CZ2-CG1 3.81Å; W46-V57 HydrophobicContact CZ2-CG2 4.11Å; W46-V57 HydrophobicContact CZ3-CG2 3.73Å; W46-V57 WeakPolarHBondContact O-CG2 3.32Å; W46-F61 AromaticContact CD1-CD1 3.74Å; W46-F61 HydrophobicContact CZ2-CD2 4.11Å; W46-F61 AromaticContact CZ2-CE2 3.73Å; W46-F61 HydrophobicContact CZ2-CE2 3.73Å; W46-F61 HydrophobicContact CZ2-CZ 4Å; W46-F61 AromaticContact NE1-CD1 3.14Å; W46-F61 AromaticContact NE1-CD2 3.52Å; W46-F61 AromaticContact NE1-CE1 3.24Å; W46-F61 AromaticContact NE1-CE2 3.65Å; W46-F61 AromaticContact NE1-CG 3.28Å; W46-F61 VanDerWaalsContact NE1-CG 3.28Å; W46-F61 AromaticContact NE1-CZ 3.5Å; W46-Y85 AromaticContact CD1-CE1 3.98Å
47	I	96.9	Very high	94.8	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.6	173.8	-53.8	-165.3	0	0	0	108.6	H33 W34 K52 L53 S62 G63 L72	H33-I47 CarbonylContact C-O 3.56Å; H33-I47 WeakPolarHBondContact CA-O 3.34Å; W34-I47 HydrophobicContact CB-CB 4.06Å; W34-I47 HydrophobicContact CB-CG1 4.4Å; W34-I47 HydrophobicContact CG-CB 4.47Å; W34-I47 PolarHBondContact N-O 2.88Å; W34-I47 PolarHBondContact O-N 2.87Å; I47-K52 CarbonylContact C-O 3.49Å; I47-K52 VanDerWaalsContact CA-O 3.26Å; I47-K52 WeakPolarHBondContact CA-O 3.37Å; I47-K52 WeakPolarHBondContact CG2-O 3.37Å; I47-L53 HydrophobicContact CD1-CD2 3.79Å; I47-L53 HydrophobicContact CG1-CD2 3.83Å; I47-S62 VanDerWaalsContact CD1-C 3.41Å; I47-G63 VanDerWaalsContact CD1-N 3.27Å; I47-L72 HydrophobicContact CD1-CD1 3.36Å; I47-L72 HydrophobicContact CG1-CD1 4.14Å
48	Y	95.2	Very high	94.9	Very high	50 Å²	50	61.1 Å²	61.1	20%	0.196	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	166.8	174.3	69.5	-81.2	0	0	0	111.3	H33 L45 T50 S51 K52 Y93	H33-Y48 VanDerWaalsContact ND1-CA 3.33Å; H33-Y48 WeakPolarHBondContact ND1-CA 3.44Å; H33-Y48 VanDerWaalsContact ND1-CB 3.33Å; H33-Y48 WeakPolarHBondContact ND1-CB 3.35Å; L45-Y48 HydrophobicContact CD2-CD1 4.3Å; L45-Y48 HydrophobicContact CD2-CG 4.47Å; Y48-T50 PolarHBondContact O-N 2.99Å; Y48-T50 VanDerWaalsContact O-N 3.12Å; Y48-S51 PolarHBondContact O-N 3.3Å; Y48-K52 HydrophobicContact CD1-CB 4.01Å; Y48-K52 WeakPolarHBondContact CD1-O 3.1Å; Y48-K52 HydrophobicContact CD2-CB 4.17Å; Y48-K52 HydrophobicContact CD2-CD 4.18Å; Y48-K52 HydrophobicContact CE1-CB 3.68Å; Y48-K52 HydrophobicContact CE2-CB 3.87Å; Y48-K52 HydrophobicContact CE2-CD 3.5Å; Y48-K52 VanDerWaalsContact CE2-CD 3.5Å; Y48-K52 HydrophobicContact CE2-CG 4.34Å; Y48-K52 HydrophobicContact CG-CB 4.25Å; Y48-K52 PolarHBondContact N-O 3.36Å; Y48-K52 WeakPolarHBondContact O-CA 3.47Å; Y48-K52 WeakPolarHBondContact O-CB 3.28Å; Y48-K52 PolarHBondContact O-N 3.48Å; Y48-Y93 HydrophobicContact CD1-CE2 4.32Å; Y48-Y93 AromaticContact CD2-CD2 3.52Å; Y48-Y93 HydrophobicContact CD2-CD2 3.52Å; Y48-Y93 AromaticContact CD2-CE2 3.89Å; Y48-Y93 HydrophobicContact CD2-CE2 3.89Å; Y48-Y93 HydrophobicContact CE1-CE2 4.18Å; Y48-Y93 AromaticContact CE2-CD2 3.52Å; Y48-Y93 HydrophobicContact CE2-CD2 3.52Å; Y48-Y93 AromaticContact CE2-CE2 3.71Å; Y48-Y93 HydrophobicContact CE2-CE2 3.71Å; Y48-Y93 HydrophobicContact CG-CD2 4.15Å; Y48-Y93 HydrophobicContact CG-CE2 4.18Å; Y48-Y93 AromaticContact CZ-CE2 3.87Å
49	D	93.3	Very high	95	Very high	31 Å²	31	60.7 Å²	60.7	17%	0.166	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	42.4	-175.1	-60.2	-9.1	0	0	0	112.2	Y31 S51 K52	Y31-D49 HydrophobicContact CD1-CB 4.14Å; D49-S51 PolarHBondContact O-N 3.14Å; D49-K52 HydrophobicContact CB-CD 4Å; D49-K52 HydrophobicContact CB-CG 4.33Å; D49-K52 IonicContact OD2-NZ 2.77Å; D49-K52 PolarHBondContact OD2-NZ 3.07Å
50	T	94	Very high	95.4	Very high	19 Å²	19	56.6 Å²	56.6	12%	0.117	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	-38.1	-179.7	-57.2	0	0	0	0	115.9	M32 Y48 G63 G65 Y70	M32-T50 PolarHBondContact N-OG1 2.85Å; M32-T50 WeakPolarHBondContact O-CA 3.34Å; M32-T50 PolarHBondContact O-N 2.71Å; Y48-T50 PolarHBondContact O-N 2.99Å; Y48-T50 VanDerWaalsContact O-N 3.12Å; T50-G63 CarbonylContact O-C 3.48Å; T50-G63 VanDerWaalsContact O-CA 3.24Å; T50-G63 WeakPolarHBondContact O-CA 3.36Å; T50-G65 WeakPolarHBondContact CG2-O 3.37Å; T50-Y70 HydrophobicContact CG2-CD1 3.84Å; T50-Y70 HydrophobicContact CG2-CE1 3.84Å
51	S	95.8	Very high	96.1	Very high	71 Å²	71	50.4 Å²	50.4	50%	0.497	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.6	-4.7	-170.8	63.1	0	0	0	0	116	Y48 D49 G63	Y48-S51 PolarHBondContact O-N 3.3Å; D49-S51 PolarHBondContact O-N 3.14Å; S51-G63 WeakPolarHBondContact CA-O 3.47Å; S51-G63 WeakPolarHBondContact CB-O 3.34Å
52	K	96.1	Very high	96.4	Very high	101 Å²	101	49.8 Å²	49.8	44%	0.439	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	127.6	-179.1	-61.9	178.8	-173.1	162.1	0	110.8	I47 Y48 D49	I47-K52 CarbonylContact C-O 3.49Å; I47-K52 VanDerWaalsContact CA-O 3.26Å; I47-K52 WeakPolarHBondContact CA-O 3.37Å; I47-K52 WeakPolarHBondContact CG2-O 3.37Å; Y48-K52 HydrophobicContact CD1-CB 4.01Å; Y48-K52 WeakPolarHBondContact CD1-O 3.1Å; Y48-K52 HydrophobicContact CD2-CB 4.17Å; Y48-K52 HydrophobicContact CD2-CD 4.18Å; Y48-K52 HydrophobicContact CE1-CB 3.68Å; Y48-K52 HydrophobicContact CE2-CB 3.87Å; Y48-K52 HydrophobicContact CE2-CD 3.5Å; Y48-K52 VanDerWaalsContact CE2-CD 3.5Å; Y48-K52 HydrophobicContact CE2-CG 4.34Å; Y48-K52 HydrophobicContact CG-CB 4.25Å; Y48-K52 PolarHBondContact N-O 3.36Å; Y48-K52 WeakPolarHBondContact O-CA 3.47Å; Y48-K52 WeakPolarHBondContact O-CB 3.28Å; Y48-K52 PolarHBondContact O-N 3.48Å; D49-K52 HydrophobicContact CB-CD 4Å; D49-K52 HydrophobicContact CB-CG 4.33Å; D49-K52 IonicContact OD2-NZ 2.77Å; D49-K52 PolarHBondContact OD2-NZ 3.07Å
53	L	97.5	Very high	96.6	Very high	57 Å²	57	45.6 Å²	45.6	30%	0.298	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	133.4	175.1	-61.9	-175.3	0	0	0	110.7	I47 V57 F61	I47-L53 HydrophobicContact CD1-CD2 3.79Å; I47-L53 HydrophobicContact CG1-CD2 3.83Å; L53-V57 HydrophobicContact CB-CB 4.23Å; L53-V57 HydrophobicContact CB-CG1 4.39Å; L53-V57 HydrophobicContact CD1-CG1 4.46Å; L53-V57 HydrophobicContact CD2-CG1 3.89Å; L53-V57 HydrophobicContact CG-CG1 4.47Å; L53-F61 HydrophobicContact CD2-CB 4Å
54	A	96.3	Very high	96.7	Very high	12 Å²	12	45.2 Å²	45.2	10%	0.099	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-67.7	162.7	169.7	0	0	0	0	0	111	L45 W46 G56 V57	L45-A54 HydrophobicContact CD2-CB 4.35Å; L45-A54 HydrophobicContact CG-CB 4.17Å; L45-A54 WeakPolarHBondContact O-CB 3.25Å; W46-A54 WeakPolarHBondContact O-CB 3.35Å; W46-A54 PolarHBondContact O-N 3.03Å; A54-G56 PolarHBondContact O-N 2.79Å; A54-V57 HydrophobicContact CB-CG2 4.01Å; A54-V57 WeakPolarHBondContact O-CB 3.27Å; A54-V57 WeakPolarHBondContact O-CG2 3.31Å; A54-V57 PolarHBondContact O-N 2.83Å; A54-V57 VanDerWaalsContact O-N 3.14Å
55	S	96.3	Very high	96.7	Very high	115 Å²	115	42 Å²	42	80%	0.804	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	132.6	180	-173.9	0	0	0	0	112.3	V57	S55-V57 VanDerWaalsContact C-N 3.29Å; S55-V57 PolarHBondContact O-N 3.21Å
56	G	96.3	Very high	96.7	Very high	67 Å²	67	45.2 Å²	45.2	69%	0.691	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	6.4	-178.7	0	0	0	0	0	115	A54	A54-G56 PolarHBondContact O-N 2.79Å
57	V	97.9	Very high	96.5	Very high	16 Å²	16	45.8 Å²	45.8	10%	0.097	32%	0.32	C	S	.	.			trans	-81.3	128.1	173.8	176.6	0	0	0	0	110.1	W46 L53 A54 S55 F61	W46-V57 HydrophobicContact CD2-CB 4.37Å; W46-V57 HydrophobicContact CD2-CG1 3.95Å; W46-V57 HydrophobicContact CD2-CG2 3.53Å; W46-V57 VanDerWaalsContact CE2-CG1 3.5Å; W46-V57 HydrophobicContact CE3-CG2 3.47Å; W46-V57 VanDerWaalsContact CE3-CG2 3.47Å; W46-V57 HydrophobicContact CG-CG1 4.24Å; W46-V57 HydrophobicContact CG-CG2 4.11Å; W46-V57 HydrophobicContact CH2-CG1 4.49Å; W46-V57 HydrophobicContact CH2-CG2 4.03Å; W46-V57 HydrophobicContact CZ2-CB 4.33Å; W46-V57 HydrophobicContact CZ2-CG1 3.81Å; W46-V57 HydrophobicContact CZ2-CG2 4.11Å; W46-V57 HydrophobicContact CZ3-CG2 3.73Å; W46-V57 WeakPolarHBondContact O-CG2 3.32Å; L53-V57 HydrophobicContact CB-CB 4.23Å; L53-V57 HydrophobicContact CB-CG1 4.39Å; L53-V57 HydrophobicContact CD1-CG1 4.46Å; L53-V57 HydrophobicContact CD2-CG1 3.89Å; L53-V57 HydrophobicContact CG-CG1 4.47Å; A54-V57 HydrophobicContact CB-CG2 4.01Å; A54-V57 WeakPolarHBondContact O-CB 3.27Å; A54-V57 WeakPolarHBondContact O-CG2 3.31Å; A54-V57 PolarHBondContact O-N 2.83Å; A54-V57 VanDerWaalsContact O-N 3.14Å; S55-V57 VanDerWaalsContact C-N 3.29Å; S55-V57 PolarHBondContact O-N 3.21Å; V57-F61 HydrophobicContact CG1-CB 3.97Å; V57-F61 HydrophobicContact CG1-CD2 3.98Å; V57-F61 HydrophobicContact CG1-CG 4.13Å
58	P	98.2	Very high	96.4	Very high	33 Å²	33	50 Å²	50	21%	0.214	34%	0.343	C	S	.	.			trans	-60.6	143.1	179.3	-28	38.1	0	0	0	113.4	R60 F61	P58-R60 HydrophobicContact CB-CG 3.8Å; P58-R60 PolarHBondContact O-N 2.84Å; P58-F61 HydrophobicContact CB-CD2 4.15Å; P58-F61 HydrophobicContact CB-CE2 4.36Å; P58-F61 HydrophobicContact CG-CD2 4.45Å; P58-F61 HydrophobicContact CG-CE2 4.32Å; P58-F61 WeakPolarHBondContact O-CD2 3.26Å; P58-F61 PolarHBondContact O-N 2.89Å; P58-F61 VanDerWaalsContact O-N 3.07Å
59	G	98	Very high	96.5	Very high	73 Å²	73	50.7 Å²	50.7	75%	0.753	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-4.1	-180	0	0	0	0	0	115.5	F61	G59-F61 VanDerWaalsContact C-N 3.27Å
60	R	97.9	Very high	96.7	Very high	32 Å²	32	49.4 Å²	49.4	12%	0.121	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-17.5	170.4	57.1	172.4	-178.1	-85.4	-6.1	113.2	P58 I74 S75 S76 E78 E80 D81	P58-R60 HydrophobicContact CB-CG 3.8Å; P58-R60 PolarHBondContact O-N 2.84Å; R60-I74 HydrophobicContact CG-CG2 4.41Å; R60-I74 CarbonylContact O-C 3.57Å; R60-I74 WeakPolarHBondContact O-CA 3.5Å; R60-S75 WeakPolarHBondContact CA-OG 3.35Å; R60-S75 WeakPolarHBondContact CB-OG 3.35Å; R60-S75 PolarHBondContact O-N 3.39Å; R60-S75 PolarHBondContact O-OG 3.18Å; R60-S76 WeakPolarHBondContact CD-O 3.33Å; R60-E78 IonicContact CZ-OE1 3.4Å; R60-E78 IonicContact CZ-OE2 3.29Å; R60-E78 VanDerWaalsContact CZ-OE2 3.29Å; R60-E78 IonicContact NE-OE1 3.71Å; R60-E78 IonicContact NH1-OE1 2.8Å; R60-E78 PolarHBondContact NH1-OE1 2.84Å; R60-E78 IonicContact NH1-OE2 2.94Å; R60-E78 PolarHBondContact NH1-OE2 2.9Å; R60-E78 IonicContact NH2-OE2 3.49Å; R60-E78 PolarHBondContact NH2-OE2 3.33Å; R60-E80 IonicContact CZ-OE1 3.6Å; R60-E80 IonicContact NH1-OE1 3.63Å; R60-E80 IonicContact NH2-OE1 2.69Å; R60-E80 PolarHBondContact NH2-OE1 3.13Å; R60-D81 IonicContact CZ-OD1 3.43Å; R60-D81 IonicContact CZ-OD2 3.59Å; R60-D81 IonicContact NE-OD1 3.28Å; R60-D81 PolarHBondContact NE-OD1 2.77Å; R60-D81 IonicContact NE-OD2 2.85Å; R60-D81 PolarHBondContact NE-OD2 2.87Å; R60-D81 IonicContact NH2-OD1 2.71Å; R60-D81 PolarHBondContact NH2-OD1 2.84Å; R60-D81 IonicContact NH2-OD2 3.57Å
61	F	98.7	Very high	96.9	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.018	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	145.9	174.4	-70	-89.5	0	0	0	111.1	W46 L53 V57 P58 G59 L72 T73 I74 D81 Y85	W46-F61 AromaticContact CD1-CD1 3.74Å; W46-F61 HydrophobicContact CZ2-CD2 4.11Å; W46-F61 AromaticContact CZ2-CE2 3.73Å; W46-F61 HydrophobicContact CZ2-CE2 3.73Å; W46-F61 HydrophobicContact CZ2-CZ 4Å; W46-F61 AromaticContact NE1-CD1 3.14Å; W46-F61 AromaticContact NE1-CD2 3.52Å; W46-F61 AromaticContact NE1-CE1 3.24Å; W46-F61 AromaticContact NE1-CE2 3.65Å; W46-F61 AromaticContact NE1-CG 3.28Å; W46-F61 VanDerWaalsContact NE1-CG 3.28Å; W46-F61 AromaticContact NE1-CZ 3.5Å; L53-F61 HydrophobicContact CD2-CB 4Å; V57-F61 HydrophobicContact CG1-CB 3.97Å; V57-F61 HydrophobicContact CG1-CD2 3.98Å; V57-F61 HydrophobicContact CG1-CG 4.13Å; P58-F61 HydrophobicContact CB-CD2 4.15Å; P58-F61 HydrophobicContact CB-CE2 4.36Å; P58-F61 HydrophobicContact CG-CD2 4.45Å; P58-F61 HydrophobicContact CG-CE2 4.32Å; P58-F61 WeakPolarHBondContact O-CD2 3.26Å; P58-F61 PolarHBondContact O-N 2.89Å; P58-F61 VanDerWaalsContact O-N 3.07Å; G59-F61 VanDerWaalsContact C-N 3.27Å; F61-L72 HydrophobicContact CD1-CD1 4.17Å; F61-T73 CarbonylContact C-O 3.59Å; F61-T73 WeakPolarHBondContact CA-O 3.24Å; F61-I74 HydrophobicContact CD1-CB 4.49Å; F61-I74 HydrophobicContact CD1-CD1 4.22Å; F61-I74 HydrophobicContact CD1-CG1 3.73Å; F61-I74 HydrophobicContact CD1-CG2 4.44Å; F61-I74 HydrophobicContact CE1-CB 4.34Å; F61-I74 HydrophobicContact CE1-CD1 3.43Å; F61-I74 VanDerWaalsContact CE1-CD1 3.43Å; F61-I74 HydrophobicContact CE1-CG1 3.46Å; F61-I74 VanDerWaalsContact CE1-CG1 3.46Å; F61-I74 HydrophobicContact CE1-CG2 4.13Å; F61-I74 HydrophobicContact CZ-CD1 4.01Å; F61-I74 HydrophobicContact CZ-CG1 4.26Å; F61-I74 HydrophobicContact CZ-CG2 4.16Å; F61-D81 WeakPolarHBondContact CE2-OD1 3.32Å; F61-D81 HydrophobicContact CZ-CB 4.13Å; F61-D81 WeakPolarHBondContact CZ-OD1 3.46Å; F61-Y85 AromaticContact CE1-CE1 3.88Å; F61-Y85 HydrophobicContact CE1-CE1 3.88Å; F61-Y85 AromaticContact CE1-CZ 3.81Å; F61-Y85 VanDerWaalsContact CE1-OH 3.23Å; F61-Y85 WeakPolarHBondContact CE1-OH 3.44Å; F61-Y85 VanDerWaalsContact CZ-OH 3.29Å; F61-Y85 WeakPolarHBondContact CZ-OH 3.09Å
62	S	98.5	Very high	97.1	Very high	55 Å²	55	46.1 Å²	46.1	39%	0.385	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	144.6	170	61.3	0	0	0	0	111.7	I47 T73	I47-S62 VanDerWaalsContact CD1-C 3.41Å; S62-T73 PolarHBondContact N-O 2.03Å; S62-T73 PolarHBondContact O-N 2.76Å
63	G	97.8	Very high	97.2	Very high	8 Å²	8	42 Å²	42	8%	0.082	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	142.5	173.2	0	0	0	0	0	109.9	I47 T50 S51 S71	I47-G63 VanDerWaalsContact CD1-N 3.27Å; T50-G63 CarbonylContact O-C 3.48Å; T50-G63 VanDerWaalsContact O-CA 3.24Å; T50-G63 WeakPolarHBondContact O-CA 3.36Å; S51-G63 WeakPolarHBondContact CA-O 3.47Å; S51-G63 WeakPolarHBondContact CB-O 3.34Å; G63-S71 WeakPolarHBondContact CA-O 3.2Å
64	S	97.5	Very high	97.2	Very high	58 Å²	58	39.3 Å²	39.3	41%	0.406	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	159.1	175.9	55.3	0	0	0	0	110.6	Y70 S71	S64-Y70 CarbonylContact O-C 3.51Å; S64-Y70 VanDerWaalsContact O-CA 3.29Å; S64-Y70 WeakPolarHBondContact O-CA 3.28Å; S64-S71 PolarHBondContact N-O 2.82Å; S64-S71 PolarHBondContact O-N 2.84Å; S64-S71 PolarHBondContact OG-OG 2.84Å
65	G	95.9	Very high	97.3	Very high	37 Å²	37	42 Å²	42	38%	0.381	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	143.1	168	176.9	0	0	0	0	0	113	T50 S69	T50-G65 WeakPolarHBondContact CG2-O 3.37Å; G65-S69 CarbonylContact C-O 3.49Å; G65-S69 WeakPolarHBondContact CA-O 3.01Å
66	S	94.9	Very high	97.4	Very high	93 Å²	93	38.7 Å²	38.7	65%	0.65	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-162.2	162.1	174.1	60.7	0	0	0	0	109.6	N68 S69	S66-N68 PolarHBondContact O-N 2.8Å; S66-S69 PolarHBondContact N-O 2.76Å; S66-S69 VanDerWaalsContact N-O 3.07Å; S66-S69 PolarHBondContact O-N 3.04Å
67	G	93.9	Very high	97.5	Very high	30 Å²	30	36.8 Å²	36.8	31%	0.309	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	-107	-179.8	0	0	0	0	0	110.9	S28 V29 Y70	S28-G67 CarbonylContact C-O 3.51Å; S28-G67 VanDerWaalsContact CA-O 3.27Å; S28-G67 WeakPolarHBondContact CA-O 3.27Å; S28-G67 WeakPolarHBondContact OG-CA 3.29Å; S28-G67 PolarHBondContact OG-O 3.37Å; V29-G67 PolarHBondContact N-O 2.79Å; G67-Y70 WeakPolarHBondContact O-CE2 3.4Å; G67-Y70 PolarHBondContact O-OH 2.84Å; G67-Y70 VanDerWaalsContact O-OH 3.08Å
68	N	95.1	Very high	97.4	Very high	89 Å²	89	39.8 Å²	39.8	48%	0.476	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	8.8	-176.9	67.4	-10.1	0	0	0	113.7	S24 A25 S66	S24-N68 CarbonylContact C-O 3.54Å; S24-N68 WeakPolarHBondContact CA-O 3.19Å; A25-N68 HydrophobicContact CB-CB 4.37Å; A25-N68 PolarHBondContact N-O 2.84Å; A25-N68 WeakPolarHBondContact O-CB 3.35Å; S66-N68 PolarHBondContact O-N 2.8Å
69	S	97.3	Very high	97.3	Very high	63 Å²	63	42.4 Å²	42.4	44%	0.441	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	122.4	-176.9	-171.3	0	0	0	0	111.3	G65 S66	G65-S69 CarbonylContact C-O 3.49Å; G65-S69 WeakPolarHBondContact CA-O 3.01Å; S66-S69 PolarHBondContact N-O 2.76Å; S66-S69 VanDerWaalsContact N-O 3.07Å; S66-S69 PolarHBondContact O-N 3.04Å
70	Y	97.6	Very high	97.1	Very high	5 Å²	5	43.6 Å²	43.6	2%	0.02	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	159.1	-174.7	-61.3	-93.5	0	0	0	110.9	T22 C23 V29 M32 T50 S64 G67	T22-Y70 CarbonylContact C-O 3.58Å; T22-Y70 VanDerWaalsContact CA-O 3.29Å; T22-Y70 WeakPolarHBondContact CA-O 3.01Å; C23-Y70 PolarHBondContact N-O 2.81Å; C23-Y70 PolarHBondContact O-N 3.35Å; V29-Y70 HydrophobicContact CG2-CD2 4.35Å; V29-Y70 HydrophobicContact CG2-CE2 3.38Å; V29-Y70 VanDerWaalsContact CG2-CZ 3.5Å; V29-Y70 VanDerWaalsContact CG2-OH 3.25Å; V29-Y70 WeakPolarHBondContact CG2-OH 3.29Å; V29-Y70 PolarHBondContact O-OH 2.94Å; M32-Y70 HydrophobicContact CB-CD1 3.33Å; M32-Y70 HydrophobicContact CB-CD2 4.25Å; M32-Y70 HydrophobicContact CB-CE1 3.65Å; M32-Y70 HydrophobicContact CB-CG 3.66Å; M32-Y70 HydrophobicContact CE-CD2 3.46Å; M32-Y70 VanDerWaalsContact CE-CD2 3.46Å; M32-Y70 HydrophobicContact CE-CE2 3.96Å; M32-Y70 HydrophobicContact CE-CG 3.86Å; M32-Y70 HydrophobicContact CG-CD1 3.97Å; M32-Y70 HydrophobicContact CG-CD2 4.38Å; M32-Y70 HydrophobicContact CG-CG 3.81Å; T50-Y70 HydrophobicContact CG2-CD1 3.84Å; T50-Y70 HydrophobicContact CG2-CE1 3.84Å; S64-Y70 CarbonylContact O-C 3.51Å; S64-Y70 VanDerWaalsContact O-CA 3.29Å; S64-Y70 WeakPolarHBondContact O-CA 3.28Å; G67-Y70 WeakPolarHBondContact O-CE2 3.4Å; G67-Y70 PolarHBondContact O-OH 2.84Å; G67-Y70 VanDerWaalsContact O-OH 3.08Å
71	S	98.1	Very high	97.1	Very high	20 Å²	20	42.2 Å²	42.2	14%	0.14	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	147.9	177	58	0	0	0	0	112.3	M21 G63 S64	M21-S71 CarbonylContact O-C 3.6Å; M21-S71 WeakPolarHBondContact O-CA 3.23Å; M21-S71 VanDerWaalsContact O-CB 3.28Å; M21-S71 WeakPolarHBondContact O-CB 3.47Å; G63-S71 WeakPolarHBondContact CA-O 3.2Å; S64-S71 PolarHBondContact N-O 2.82Å; S64-S71 PolarHBondContact O-N 2.84Å; S64-S71 PolarHBondContact OG-OG 2.84Å
72	L	98.5	Very high	96.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127	165.7	175.1	62.7	0	0	0	107.8	T20 M21 W34 I47 F61 Y85	T20-L72 CarbonylContact C-O 3.55Å; T20-L72 WeakPolarHBondContact CA-O 3.2Å; M21-L72 HydrophobicContact CE-CB 4.35Å; M21-L72 HydrophobicContact CE-CD2 3.51Å; M21-L72 HydrophobicContact CE-CG 3.95Å; M21-L72 PolarHBondContact N-O 2.78Å; M21-L72 PolarHBondContact O-N 2.78Å; W34-L72 HydrophobicContact CB-CD2 4.39Å; W34-L72 HydrophobicContact CD2-CB 3.61Å; W34-L72 HydrophobicContact CD2-CD2 4.04Å; W34-L72 HydrophobicContact CD2-CG 4.33Å; W34-L72 HydrophobicContact CE3-CB 3.8Å; W34-L72 HydrophobicContact CE3-CD2 3.77Å; W34-L72 HydrophobicContact CE3-CG 4.42Å; W34-L72 HydrophobicContact CG-CB 4.17Å; W34-L72 HydrophobicContact CG-CD1 4.41Å; W34-L72 HydrophobicContact CG-CD2 4.31Å; W34-L72 HydrophobicContact CH2-CB 3.93Å; W34-L72 HydrophobicContact CZ2-CB 3.77Å; W34-L72 HydrophobicContact CZ3-CB 3.95Å; W34-L72 HydrophobicContact CZ3-CD2 4.34Å; I47-L72 HydrophobicContact CD1-CD1 3.36Å; I47-L72 HydrophobicContact CG1-CD1 4.14Å; F61-L72 HydrophobicContact CD1-CD1 4.17Å; L72-Y85 HydrophobicContact CD2-CD1 3.4Å; L72-Y85 VanDerWaalsContact CD2-CD1 3.4Å; L72-Y85 HydrophobicContact CD2-CE1 3.97Å; L72-Y85 HydrophobicContact CD2-CG 3.78Å
73	T	98.6	Very high	96.8	Very high	15 Å²	15	45.9 Å²	45.9	9%	0.092	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	138.7	176.2	-62.7	0	0	0	0	109.9	K18 V19 T20 F61 S62	K18-T73 HydrophobicContact CD-CG2 4.4Å; K18-T73 VanDerWaalsContact CE-CG2 3.42Å; K18-T73 HydrophobicContact CG-CG2 4.16Å; V19-T73 CarbonylContact O-C 3.55Å; V19-T73 VanDerWaalsContact O-CA 3.27Å; V19-T73 WeakPolarHBondContact O-CA 3.29Å; T20-T73 PolarHBondContact OG1-OG1 2.98Å; F61-T73 CarbonylContact C-O 3.59Å; F61-T73 WeakPolarHBondContact CA-O 3.24Å; S62-T73 PolarHBondContact N-O 2.03Å; S62-T73 PolarHBondContact O-N 2.76Å
74	I	98.4	Very high	96.8	Very high	1 Å²	1	49 Å²	49	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114.9	167.3	-41.4	-178.6	0	0	0	105.2	K18 V19 M21 R60 F61 S76 M77 D81 Y85	K18-I74 CarbonylContact C-O 3.51Å; K18-I74 WeakPolarHBondContact CA-O 3.18Å; V19-I74 HydrophobicContact CB-CB 4.16Å; V19-I74 HydrophobicContact CB-CD1 4.37Å; V19-I74 HydrophobicContact CB-CG1 4.29Å; V19-I74 HydrophobicContact CG1-CD1 3.97Å; V19-I74 HydrophobicContact CG1-CG1 4.1Å; V19-I74 PolarHBondContact N-O 2.78Å; V19-I74 PolarHBondContact O-N 2.69Å; M21-I74 HydrophobicContact CE-CD1 4.46Å; R60-I74 HydrophobicContact CG-CG2 4.41Å; R60-I74 CarbonylContact O-C 3.57Å; R60-I74 WeakPolarHBondContact O-CA 3.5Å; F61-I74 HydrophobicContact CD1-CB 4.49Å; F61-I74 HydrophobicContact CD1-CD1 4.22Å; F61-I74 HydrophobicContact CD1-CG1 3.73Å; F61-I74 HydrophobicContact CD1-CG2 4.44Å; F61-I74 HydrophobicContact CE1-CB 4.34Å; F61-I74 HydrophobicContact CE1-CD1 3.43Å; F61-I74 VanDerWaalsContact CE1-CD1 3.43Å; F61-I74 HydrophobicContact CE1-CG1 3.46Å; F61-I74 VanDerWaalsContact CE1-CG1 3.46Å; F61-I74 HydrophobicContact CE1-CG2 4.13Å; F61-I74 HydrophobicContact CZ-CD1 4.01Å; F61-I74 HydrophobicContact CZ-CG1 4.26Å; F61-I74 HydrophobicContact CZ-CG2 4.16Å; I74-S76 VanDerWaalsContact C-N 3.33Å; I74-M77 HydrophobicContact CD1-SD 3.85Å; I74-D81 HydrophobicContact CD1-CB 4.38Å; I74-Y85 HydrophobicContact CD1-CE2 4.42Å
75	S	98.3	Very high	96.8	Very high	68 Å²	68	46.8 Å²	46.8	48%	0.476	31%	0.305	S	S	.	.	S	Bend	trans	-71.8	-28.8	-173.7	60.1	0	0	0	0	113.3	R60	R60-S75 WeakPolarHBondContact CA-OG 3.35Å; R60-S75 WeakPolarHBondContact CB-OG 3.35Å; R60-S75 PolarHBondContact O-N 3.39Å; R60-S75 PolarHBondContact O-OG 3.18Å
76	S	98.1	Very high	96.8	Very high	46 Å²	46	49.6 Å²	49.6	32%	0.322	30%	0.304	S	S	.	.	S	Bend	trans	-150.7	101.9	-179.4	169.3	0	0	0	0	108.7	R60 I74	R60-S76 WeakPolarHBondContact CD-O 3.33Å; I74-S76 VanDerWaalsContact C-N 3.33Å
77	M	97.5	Very high	96.8	Very high	26 Å²	26	45.7 Å²	45.7	13%	0.128	28%	0.277	C	S	.	.			trans	-62.3	136.4	-176.7	-170.1	71.1	-177.6	0	0	111.9	A13 P15 G16 E17 V19 I74 D81 V82	A13-M77 HydrophobicContact CB-CB 4.43Å; A13-M77 HydrophobicContact CB-CG 4.21Å; P15-M77 CarbonylContact C-O 3.52Å; P15-M77 VanDerWaalsContact CA-O 3.31Å; P15-M77 WeakPolarHBondContact CA-O 3.35Å; G16-M77 PolarHBondContact N-O 2.83Å; E17-M77 WeakPolarHBondContact O-CB 3.33Å; E17-M77 PolarHBondContact O-N 2.8Å; V19-M77 HydrophobicContact CG2-SD 4.18Å; I74-M77 HydrophobicContact CD1-SD 3.85Å; M77-D81 HydrophobicContact CE-CB 3.58Å; M77-D81 HydrophobicContact SD-CB 3.67Å; M77-V82 HydrophobicContact CE-CG2 4.21Å
78	E	97.6	Very high	96.8	Very high	79 Å²	79	49.8 Å²	49.8	37%	0.369	29%	0.286	S	S	.	.			trans	-121.6	161.7	172.1	-68.9	174.4	-150.9	0	0	111.5	R60 E80 D81	R60-E78 IonicContact CZ-OE1 3.4Å; R60-E78 IonicContact CZ-OE2 3.29Å; R60-E78 VanDerWaalsContact CZ-OE2 3.29Å; R60-E78 IonicContact NE-OE1 3.71Å; R60-E78 IonicContact NH1-OE1 2.8Å; R60-E78 PolarHBondContact NH1-OE1 2.84Å; R60-E78 IonicContact NH1-OE2 2.94Å; R60-E78 PolarHBondContact NH1-OE2 2.9Å; R60-E78 IonicContact NH2-OE2 3.49Å; R60-E78 PolarHBondContact NH2-OE2 3.33Å; E78-E80 HydrophobicContact CB-CG 4.15Å; E78-E80 PolarHBondContact O-N 3.12Å; E78-E80 VanDerWaalsContact O-N 3.17Å; E78-D81 PolarHBondContact N-OD2 2.91Å; E78-D81 WeakPolarHBondContact O-CB 3.37Å; E78-D81 PolarHBondContact O-N 2.87Å
79	A	95	Very high	96.6	Very high	88 Å²	88	48.4 Å²	48.4	73%	0.727	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-59.3	-30.2	-179.2	0	0	0	0	0	112.9	D81 V82	A79-D81 VanDerWaalsContact C-N 3.26Å; A79-D81 PolarHBondContact O-N 3.1Å; A79-V82 WeakPolarHBondContact O-CG2 3.44Å
80	E	94.8	Very high	95.9	Very high	99 Å²	99	46.4 Å²	46.4	46%	0.463	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-75.5	-10.9	177.8	61.3	172.6	-159	0	0	114.5	K38 R60 E78 V82	K38-E80 WeakPolarHBondContact CE-O 3.5Å; K38-E80 PolarHBondContact NZ-O 3.22Å; R60-E80 IonicContact CZ-OE1 3.6Å; R60-E80 IonicContact NH1-OE1 3.63Å; R60-E80 IonicContact NH2-OE1 2.69Å; R60-E80 PolarHBondContact NH2-OE1 3.13Å; E78-E80 HydrophobicContact CB-CG 4.15Å; E78-E80 PolarHBondContact O-N 3.12Å; E78-E80 VanDerWaalsContact O-N 3.17Å; E80-V82 VanDerWaalsContact C-N 3.3Å
81	D	96.2	Very high	94.6	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.011	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-84.1	-7.2	180	-62.3	-30	0	0	0	112.5	R60 F61 I74 M77 E78 A79 A83 Y85	R60-D81 IonicContact CZ-OD1 3.43Å; R60-D81 IonicContact CZ-OD2 3.59Å; R60-D81 IonicContact NE-OD1 3.28Å; R60-D81 PolarHBondContact NE-OD1 2.77Å; R60-D81 IonicContact NE-OD2 2.85Å; R60-D81 PolarHBondContact NE-OD2 2.87Å; R60-D81 IonicContact NH2-OD1 2.71Å; R60-D81 PolarHBondContact NH2-OD1 2.84Å; R60-D81 IonicContact NH2-OD2 3.57Å; F61-D81 WeakPolarHBondContact CE2-OD1 3.32Å; F61-D81 HydrophobicContact CZ-CB 4.13Å; F61-D81 WeakPolarHBondContact CZ-OD1 3.46Å; I74-D81 HydrophobicContact CD1-CB 4.38Å; M77-D81 HydrophobicContact CE-CB 3.58Å; M77-D81 HydrophobicContact SD-CB 3.67Å; E78-D81 PolarHBondContact N-OD2 2.91Å; E78-D81 WeakPolarHBondContact O-CB 3.37Å; E78-D81 PolarHBondContact O-N 2.87Å; A79-D81 VanDerWaalsContact C-N 3.26Å; A79-D81 PolarHBondContact O-N 3.1Å; D81-A83 PolarHBondContact O-N 2.97Å; D81-Y85 WeakPolarHBondContact O-CE2 3.41Å; D81-Y85 PolarHBondContact O-OH 3.28Å
82	V	95.6	Very high	93	Very high	108 Å²	108	52 Å²	52	66%	0.655	31%	0.311	S	S	*	.			trans	-64.7	106.7	176.2	-179	0	0	0	0	109.4	M77 A79 E80	M77-V82 HydrophobicContact CE-CG2 4.21Å; A79-V82 WeakPolarHBondContact O-CG2 3.44Å; E80-V82 VanDerWaalsContact C-N 3.3Å
83	A	96.5	Very high	91.3	Very high	29 Å²	29	58.4 Å²	58.4	24%	0.24	34%	0.335	C	S	.	.	S	Bend	trans	-162.6	166.3	-175.9	0	0	0	0	0	110	Q36 Q37 K38 D81 Y85	Q36-A83 HydrophobicContact CG-CB 3.37Å; Q37-A83 WeakPolarHBondContact O-CB 3.38Å; K38-A83 HydrophobicContact CG-CB 4.06Å; D81-A83 PolarHBondContact O-N 2.97Å; A83-Y85 HydrophobicContact CB-CD2 4.5Å; A83-Y85 HydrophobicContact CB-CE2 3.98Å
84	T	97	Very high	89.4	Confident	73 Å²	73	59.3 Å²	59.3	45%	0.448	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	132.8	162.9	-48.7	0	0	0	0	109	Q37 Y86	Q37-T84 PolarHBondContact N-O 3.07Å; Q37-T84 PolarHBondContact O-N 3.19Å; T84-Y86 HydrophobicContact CG2-CD1 4.48Å; T84-Y86 HydrophobicContact CG2-CD2 4.37Å; T84-Y86 HydrophobicContact CG2-CE1 3.76Å; T84-Y86 HydrophobicContact CG2-CE2 3.63Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.25Å
85	Y	97.3	Very high	87.3	Confident	12 Å²	12	70.1 Å²	70.1	5%	0.047	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	135.3	177.2	-66.6	-91.3	0	0	0	110.1	Q6 M21 Y35 Q36 W46 F61 L72 I74 D81 A83	Q6-Y85 PolarHBondContact NE2-O 2.88Å; M21-Y85 HydrophobicContact CE-CD1 4.5Å; M21-Y85 HydrophobicContact CE-CD2 3.62Å; M21-Y85 HydrophobicContact CE-CE2 4.15Å; M21-Y85 HydrophobicContact CE-CG 3.8Å; M21-Y85 HydrophobicContact SD-CD2 3.98Å; M21-Y85 HydrophobicContact SD-CG 4.24Å; Y35-Y85 CarbonylContact O-C 3.58Å; Y35-Y85 VanDerWaalsContact O-CA 3.26Å; Y35-Y85 WeakPolarHBondContact O-CA 3.18Å; Q36-Y85 HydrophobicContact CB-CD1 4.03Å; Q36-Y85 HydrophobicContact CB-CE1 3.8Å; Q36-Y85 HydrophobicContact CG-CD1 4.18Å; Q36-Y85 HydrophobicContact CG-CE1 3.67Å; Q36-Y85 PolarHBondContact NE2-OH 2.93Å; W46-Y85 AromaticContact CD1-CE1 3.98Å; F61-Y85 AromaticContact CE1-CE1 3.88Å; F61-Y85 HydrophobicContact CE1-CE1 3.88Å; F61-Y85 AromaticContact CE1-CZ 3.81Å; F61-Y85 VanDerWaalsContact CE1-OH 3.23Å; F61-Y85 WeakPolarHBondContact CE1-OH 3.44Å; F61-Y85 VanDerWaalsContact CZ-OH 3.29Å; F61-Y85 WeakPolarHBondContact CZ-OH 3.09Å; L72-Y85 HydrophobicContact CD2-CD1 3.4Å; L72-Y85 VanDerWaalsContact CD2-CD1 3.4Å; L72-Y85 HydrophobicContact CD2-CE1 3.97Å; L72-Y85 HydrophobicContact CD2-CG 3.78Å; I74-Y85 HydrophobicContact CD1-CE2 4.42Å; D81-Y85 WeakPolarHBondContact O-CE2 3.41Å; D81-Y85 PolarHBondContact O-OH 3.28Å; A83-Y85 HydrophobicContact CB-CD2 4.5Å; A83-Y85 HydrophobicContact CB-CE2 3.98Å
86	Y	96.1	Very high	86.7	Confident	95 Å²	95	70.3 Å²	70.3	37%	0.373	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.4	179.9	-58.2	-80	0	0	0	110.5	W34 Y35 Q37 T84	W34-Y86 CarbonylContact C-O 3.5Å; W34-Y86 VanDerWaalsContact CA-O 3.31Å; W34-Y86 WeakPolarHBondContact CA-O 3.46Å; Y35-Y86 PolarHBondContact N-O 3.39Å; Y35-Y86 PolarHBondContact O-N 3.04Å; Q37-Y86 HydrophobicContact CB-CD2 4.42Å; Q37-Y86 HydrophobicContact CB-CE2 3.88Å; Q37-Y86 VanDerWaalsContact OE1-CE2 3.26Å; Q37-Y86 PolarHBondContact OE1-OH 3.29Å; T84-Y86 HydrophobicContact CG2-CD1 4.48Å; T84-Y86 HydrophobicContact CG2-CD2 4.37Å; T84-Y86 HydrophobicContact CG2-CE1 3.76Å; T84-Y86 HydrophobicContact CG2-CE2 3.63Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.25Å
87	C	95.9	Very high	86.1	Confident	11 Å²	11	71.5 Å²	71.5	7%	0.074	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	145.7	168.6	66.8	0	0	0	0	110.5	Q6 C23 M32 H33 W34	Q6-C87 WeakPolarHBondContact CG-SG 3.38Å; Q6-C87 PolarHBondContact OE1-SG 2.76Å; Q6-C87 VanDerWaalsContact OE1-SG 3.37Å; C23-C87 HydrophobicContact CB-CB 3.46Å; C23-C87 VanDerWaalsContact CB-CB 3.46Å; C23-C87 WeakPolarHBondContact CB-SG 3.37Å; C23-C87 WeakPolarHBondContact SG-CB 3.27Å; C23-C87 CovalentContact SG-SG 2.03Å; C23-C87 PolarHBondContact SG-SG 2.62Å; M32-C87 HydrophobicContact CG-CB 4.39Å; M32-C87 HydrophobicContact SD-CB 3.68Å; H33-C87 CarbonylContact O-C 3.58Å; H33-C87 VanDerWaalsContact O-CA 3.27Å; H33-C87 WeakPolarHBondContact O-CA 3.47Å; W34-C87 HydrophobicContact CD2-CB 4.1Å; W34-C87 HydrophobicContact CE3-CB 3.95Å; W34-C87 HydrophobicContact CH2-CB 3.95Å; W34-C87 HydrophobicContact CZ2-CB 4.05Å; W34-C87 HydrophobicContact CZ3-CB 3.89Å
88	F	93.8	Very high	85.5	Confident	116 Å²	116	74.1 Å²	74.1	51%	0.509	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	132.8	178.1	-173.9	-100	0	0	0	110.1	M32 H33 Y35	M32-F88 VanDerWaalsContact SD-O 3.38Å; H33-F88 PolarHBondContact CD2-O 3.4Å; H33-F88 PolarHBondContact N-O 2.98Å; H33-F88 PolarHBondContact O-N 3.16Å; Y35-F88 HydrophobicContact CD2-CB 4.22Å; Y35-F88 HydrophobicContact CE2-CB 3.92Å
89	Q	90.4	Very high	84.8	Confident	61 Å²	61	73.8 Å²	73.8	29%	0.285	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	140.2	176.3	58.6	162.7	43.6	0	0	110.9	N2 L4 V29	N2-Q89 PolarHBondContact ND2-OE1 3.08Å; L4-Q89 HydrophobicContact CD1-CB 4.37Å; L4-Q89 HydrophobicContact CD1-CG 4.35Å; V29-Q89 HydrophobicContact CB-CB 4.2Å; V29-Q89 HydrophobicContact CG1-CB 3.9Å
90	G	81.5	Confident	84.1	Confident	21 Å²	21	72.9 Å²	72.9	22%	0.216	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	164.1	178.4	0	0	0	0	0	112.8	Y31	Y31-G90 PolarHBondContact N-O 2.98Å; Y31-G90 PolarHBondContact O-N 2.93Å
91	S	70.5	Confident	83.4	Confident	118 Å²	118	71.1 Å²	71.1	83%	0.825	39%	0.392	S	S	*	.	S	Bend	trans	-94.6	-0.6	172.7	52.3	0	0	0	0	113.2
92	G	64.4	Low	82.5	Confident	25 Å²	25	76.1 Å²	76.1	26%	0.258	42%	0.419	S	S	.	.	S	Bend	trans	169.2	-164.4	-179.3	0	0	0	0	0	112	H33	H33-G92 PolarHBondContact CE1-O 3.28Å; H33-G92 PolarHBondContact NE2-O 2.8Å
93	Y	62.7	Low	81.5	Confident	133 Å²	133	73.6 Å²	73.6	52%	0.522	40%	0.401	S	S	.	.			trans	-54.4	125.3	177.8	-167.7	-90.7	0	0	0	110.9	Y48 L95	Y48-Y93 HydrophobicContact CD1-CE2 4.32Å; Y48-Y93 AromaticContact CD2-CD2 3.52Å; Y48-Y93 HydrophobicContact CD2-CD2 3.52Å; Y48-Y93 AromaticContact CD2-CE2 3.89Å; Y48-Y93 HydrophobicContact CD2-CE2 3.89Å; Y48-Y93 HydrophobicContact CE1-CE2 4.18Å; Y48-Y93 AromaticContact CE2-CD2 3.52Å; Y48-Y93 HydrophobicContact CE2-CD2 3.52Å; Y48-Y93 AromaticContact CE2-CE2 3.71Å; Y48-Y93 HydrophobicContact CE2-CE2 3.71Å; Y48-Y93 HydrophobicContact CG-CD2 4.15Å; Y48-Y93 HydrophobicContact CG-CE2 4.18Å; Y48-Y93 AromaticContact CZ-CE2 3.87Å; Y93-L95 HydrophobicContact CD1-CD2 4.22Å; Y93-L95 HydrophobicContact CD1-CG 4.46Å; Y93-L95 HydrophobicContact CE1-CD2 4.47Å; Y93-L95 PolarHBondContact O-N 2.87Å; Y93-L95 VanDerWaalsContact O-N 3.1Å
94	P	58.9	Low	80.3	Confident	35 Å²	35	77.3 Å²	77.3	23%	0.227	42%	0.415	C	S	.	.			trans	-74	104.9	176.9	28.3	-28.5	0	0	0	108.1	Y35 L45	Y35-P94 WeakPolarHBondContact OH-CB 3.41Å; L45-P94 HydrophobicContact CD1-CG 3.69Å; L45-P94 HydrophobicContact CD2-CG 3.76Å; L45-P94 HydrophobicContact CG-CG 4.32Å
95	L	54.6	Low	78.8	Confident	228 Å²	228	77.7 Å²	77.7	100%	1.194	41%	0.412	S	S	*	.			trans	-75.9	0	166.8	-74.4	174	0	0	0	110.3	Y93	Y93-L95 HydrophobicContact CD1-CD2 4.22Å; Y93-L95 HydrophobicContact CD1-CG 4.46Å; Y93-L95 HydrophobicContact CE1-CD2 4.47Å; Y93-L95 PolarHBondContact O-N 2.87Å; Y93-L95 VanDerWaalsContact O-N 3.1Å

Retrieved 95 of 95 residues in 102.6 ms (Link to these results)

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