A0A075B5M3_MOUSE Loading...

Immunoglobulin kappa variable 4-58

AlphaFold DB , UniProt , Accession A0A075B5M3, Species MOUSE (Mus musculus, Mouse), Gene Igkv4-58, Length 97 aa.

						>A0A075B5M3_MOUSE|A0A075B5M3|Igkv4-58
ENVLTQSPAIMAASLGQKVTMTCSASSSVSSSYLHWYQQKSGASPKPLIHRTSNLASGVPARFSGSGSGTSYSLTISSVEAEDDATYYCQQWSGYPF
					

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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	69.8	Low	92.1	Very high	214 Å²	214	90.8 Å²	90.8	100%	1	52%	0.517	S	S	*	.				0	136.6	0	-170.2	177.6	173.4	0	0	109
2	N	81.3	Confident	92.4	Very high	37 Å²	37	91.6 Å²	91.6	20%	0.198	54%	0.542	C	S	.	.			trans	-93.5	110	177	-88.8	-12.5	0	0	0	109.7	S27 Q91 S93	N2-S27 VanDerWaalsContact CG-OG 3.24Å; N2-S27 PolarHBondContact ND2-OG 2.86Å; N2-S27 WeakPolarHBondContact OD1-CB 3.37Å; N2-S27 PolarHBondContact OD1-OG 2.84Å; N2-Q91 HydrophobicContact CB-CG 4.18Å; N2-S93 PolarHBondContact ND2-OG 2.89Å
3	V	91.5	Very high	92.6	Very high	81 Å²	81	87.7 Å²	87.7	49%	0.491	53%	0.527	S	S	.	.			trans	-86.8	135.6	-180	-179.2	0	0	0	0	109.1	A25 S26	V3-A25 CarbonylContact O-C 3.53Å; V3-A25 WeakPolarHBondContact O-CA 3.1Å; V3-S26 PolarHBondContact N-OG 3.44Å; V3-S26 PolarHBondContact O-N 3.09Å
4	L	94.6	Very high	93	Very high	44 Å²	44	87.1 Å²	87.1	23%	0.23	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	135.9	173.7	-57.4	-177.9	0	0	0	110.1	S24 A25 Q91	L4-S24 CarbonylContact C-O 3.55Å; L4-S24 WeakPolarHBondContact CA-O 3.4Å; L4-A25 HydrophobicContact CD2-CB 3.5Å; L4-Q91 HydrophobicContact CD1-CB 4.07Å; L4-Q91 HydrophobicContact CD1-CG 4.06Å; L4-Q91 HydrophobicContact CD2-CB 4.38Å; L4-Q91 HydrophobicContact CD2-CG 4.21Å; L4-Q91 HydrophobicContact CG-CG 4.21Å
5	T	97.3	Very high	93.3	Very high	85 Å²	85	89.4 Å²	89.4	52%	0.521	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	143.4	171.7	59	0	0	0	0	109.9	C23 S24	T5-C23 CarbonylContact O-C 3.58Å; T5-C23 WeakPolarHBondContact O-CA 3.41Å; T5-S24 PolarHBondContact N-O 2.95Å; T5-S24 PolarHBondContact O-N 2.87Å
6	Q	97.9	Very high	93.6	Very high	68 Å²	68	86.8 Å²	86.8	32%	0.318	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.4	-179.5	-76.6	178	-122.8	0	0	111.9	T22 C23 Y87 Y88 C89	Q6-T22 VanDerWaalsContact CA-O 3.23Å; Q6-T22 WeakPolarHBondContact CA-O 3.49Å; Q6-C23 HydrophobicContact CG-CB 4.2Å; Q6-Y87 PolarHBondContact NE2-O 3Å; Q6-Y88 VanDerWaalsContact OE1-CA 3.3Å; Q6-C89 VanDerWaalsContact CG-SG 3.55Å; Q6-C89 PolarHBondContact OE1-SG 2.97Å
7	S	97.7	Very high	93.8	Very high	68 Å²	68	87.6 Å²	87.6	48%	0.476	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	142.4	177.3	-174.4	0	0	0	0	111.8	M21 T22	S7-M21 CarbonylContact O-C 3.59Å; S7-M21 WeakPolarHBondContact O-CA 3.36Å; S7-T22 PolarHBondContact N-O 3.38Å; S7-T22 VanDerWaalsContact N-O 3.08Å; S7-T22 PolarHBondContact O-N 3Å; S7-T22 PolarHBondContact O-OG1 3.28Å
8	P	97.4	Very high	94.1	Very high	57 Å²	57	90.9 Å²	90.9	37%	0.37	54%	0.536	S	S	.	.			cis	-71.8	162.7	-11.3	33.1	-36.2	0	0	0	111.8	I10 M11	P8-I10 VanDerWaalsContact C-N 3.34Å; P8-M11 VanDerWaalsContact CD-CE 3.47Å; P8-M11 HydrophobicContact CG-CB 4.08Å; P8-M11 HydrophobicContact CG-CE 3.35Å
9	A	95.8	Very high	94.3	Very high	104 Å²	104	86.9 Å²	86.9	86%	0.86	51%	0.512	S	S	*	.	S	Bend	trans	-68.2	-34.2	176.6	0	0	0	0	0	112.7
10	I	95.6	Very high	94.5	Very high	154 Å²	154	85.4 Å²	85.4	79%	0.79	50%	0.504	S	S	*	.	S	Bend	trans	-137.2	139.5	176.6	-60	176.3	0	0	0	107.4	P8	P8-I10 VanDerWaalsContact C-N 3.34Å
11	M	94.5	Very high	94.6	Very high	87 Å²	87	82.5 Å²	82.5	43%	0.429	49%	0.486	S	S	.	.			trans	-133.9	134.4	174.4	-171.3	176.5	-63.6	0	0	109.6	P8 V19 T20	P8-M11 VanDerWaalsContact CD-CE 3.47Å; P8-M11 HydrophobicContact CG-CB 4.08Å; P8-M11 HydrophobicContact CG-CE 3.35Å; M11-V19 HydrophobicContact CG-CG1 4.45Å; M11-V19 HydrophobicContact SD-CB 3.43Å; M11-V19 WeakPolarHBondContact SD-CB 3.42Å; M11-V19 HydrophobicContact SD-CG1 3.41Å; M11-V19 WeakPolarHBondContact SD-CG1 3.35Å; M11-T20 WeakPolarHBondContact CE-O 3.41Å
12	A	95.4	Very high	96	Very high	100 Å²	100	74.8 Å²	74.8	83%	0.826	45%	0.453	S	S	*	.			trans	-109.3	135.6	167.7	0	0	0	0	0	108.6
13	A	95.4	Very high	96.7	Very high	41 Å²	41	73 Å²	73	34%	0.339	44%	0.444	S	S	.	.			trans	-144.2	146.2	177.9	0	0	0	0	0	110	Q17 V19 V79	A13-Q17 HydrophobicContact CB-CB 4.38Å; A13-V19 HydrophobicContact CB-CG1 3.37Å; A13-V79 HydrophobicContact CB-CG2 4.26Å
14	S	97.5	Very high	97	Very high	79 Å²	79	71.4 Å²	71.4	55%	0.552	44%	0.436	S	S	*	.			trans	-77.2	155.1	169.4	-55.7	0	0	0	0	110.9	G16 Q17	S14-G16 PolarHBondContact O-N 2.92Å; S14-Q17 VanDerWaalsContact O-CB 3.3Å; S14-Q17 WeakPolarHBondContact O-CB 3.47Å; S14-Q17 WeakPolarHBondContact O-CG 3.34Å; S14-Q17 PolarHBondContact O-N 2.79Å; S14-Q17 VanDerWaalsContact O-N 3.08Å
15	L	97.7	Very high	97.1	Very high	122 Å²	122	69.8 Å²	69.8	64%	0.639	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	137.1	174.5	-60.8	177.7	0	0	0	110.7	Q17 V79 A81	L15-Q17 VanDerWaalsContact C-N 3.26Å; L15-Q17 PolarHBondContact O-N 3.44Å; L15-V79 CarbonylContact C-O 3.6Å; L15-V79 WeakPolarHBondContact CA-O 2.99Å; L15-A81 HydrophobicContact CD2-CB 4.25Å
16	G	98	Very high	97	Very high	48 Å²	48	69.4 Å²	69.4	50%	0.495	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	-9.5	-177.2	0	0	0	0	0	115.3	S14 V79	S14-G16 PolarHBondContact O-N 2.92Å; G16-V79 PolarHBondContact N-O 3.25Å
17	Q	98.1	Very high	96.8	Very high	100 Å²	100	68.6 Å²	68.6	47%	0.467	43%	0.432	S	S	.	.			trans	-72.6	149.7	175.8	-69.6	-169	-54.1	0	0	111.6	A13 S14 L15 V79	A13-Q17 HydrophobicContact CB-CB 4.38Å; S14-Q17 VanDerWaalsContact O-CB 3.3Å; S14-Q17 WeakPolarHBondContact O-CB 3.47Å; S14-Q17 WeakPolarHBondContact O-CG 3.34Å; S14-Q17 PolarHBondContact O-N 2.79Å; S14-Q17 VanDerWaalsContact O-N 3.08Å; L15-Q17 VanDerWaalsContact C-N 3.26Å; L15-Q17 PolarHBondContact O-N 3.44Å; Q17-V79 WeakPolarHBondContact O-CG2 3.47Å; Q17-V79 PolarHBondContact O-N 2.99Å
18	K	98.2	Very high	96.6	Very high	147 Å²	147	69.6 Å²	69.6	64%	0.639	44%	0.439	S	S	*	.			trans	-82	130.9	168.5	179.5	-178.5	179.5	-177.3	0	109.5	T75 I76	K18-T75 HydrophobicContact CD-CG2 4.43Å; K18-T75 VanDerWaalsContact CE-CG2 3.48Å; K18-T75 HydrophobicContact CG-CG2 4.16Å; K18-I76 WeakPolarHBondContact CA-O 2.99Å
19	V	97.8	Very high	96.4	Very high	16 Å²	16	67 Å²	67	10%	0.097	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	151.5	172.8	-65.9	0	0	0	0	111.1	M11 A13 T75 I76 V79	M11-V19 HydrophobicContact CG-CG1 4.45Å; M11-V19 HydrophobicContact SD-CB 3.43Å; M11-V19 WeakPolarHBondContact SD-CB 3.42Å; M11-V19 HydrophobicContact SD-CG1 3.41Å; M11-V19 WeakPolarHBondContact SD-CG1 3.35Å; A13-V19 HydrophobicContact CB-CG1 3.37Å; V19-T75 VanDerWaalsContact O-CA 3.32Å; V19-T75 WeakPolarHBondContact O-CA 3.3Å; V19-I76 HydrophobicContact CG2-CB 3.61Å; V19-I76 HydrophobicContact CG2-CD1 3.88Å; V19-I76 HydrophobicContact CG2-CG1 3.79Å; V19-I76 PolarHBondContact N-O 3.27Å; V19-I76 PolarHBondContact O-N 2.89Å; V19-V79 HydrophobicContact CB-CG2 4.27Å; V19-V79 HydrophobicContact CG1-CG2 3.77Å; V19-V79 HydrophobicContact CG2-CG2 3.51Å
20	T	98.1	Very high	96.3	Very high	55 Å²	55	64.8 Å²	64.8	34%	0.337	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	123.3	175.5	-62.9	0	0	0	0	109.8	M11 L74 T75	M11-T20 WeakPolarHBondContact CE-O 3.41Å; T20-L74 WeakPolarHBondContact CA-O 3.37Å; T20-T75 WeakPolarHBondContact CG2-OG1 3.44Å; T20-T75 PolarHBondContact OG1-OG1 2.93Å
21	M	97.7	Very high	96.2	Very high	26 Å²	26	60.1 Å²	60.1	13%	0.128	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	151.3	170.5	66.5	-174.1	78.2	0	0	109.6	S7 W36 S73 L74 Y87	S7-M21 CarbonylContact O-C 3.59Å; S7-M21 WeakPolarHBondContact O-CA 3.36Å; M21-W36 HydrophobicContact CG-CH2 3.86Å; M21-W36 HydrophobicContact CG-CZ3 3.84Å; M21-W36 HydrophobicContact SD-CE3 4.32Å; M21-W36 HydrophobicContact SD-CH2 4.29Å; M21-W36 HydrophobicContact SD-CZ3 3.65Å; M21-S73 CarbonylContact O-C 3.54Å; M21-S73 WeakPolarHBondContact O-CA 3.3Å; M21-S73 WeakPolarHBondContact O-CB 3.42Å; M21-L74 HydrophobicContact CE-CD2 3.92Å; M21-L74 HydrophobicContact CG-CB 3.75Å; M21-L74 HydrophobicContact CG-CD2 4.31Å; M21-L74 HydrophobicContact CG-CG 4.38Å; M21-L74 PolarHBondContact N-O 2.82Å; M21-L74 PolarHBondContact O-N 2.89Å; M21-L74 HydrophobicContact SD-CB 4.29Å; M21-L74 HydrophobicContact SD-CD2 3.79Å; M21-L74 HydrophobicContact SD-CG 4.47Å; M21-Y87 HydrophobicContact CE-CD1 4.15Å; M21-Y87 HydrophobicContact CE-CD2 3.53Å; M21-Y87 HydrophobicContact CE-CE2 4.23Å; M21-Y87 HydrophobicContact CE-CG 3.49Å; M21-Y87 VanDerWaalsContact CE-CG 3.49Å; M21-Y87 WeakPolarHBondContact SD-CB 3.3Å; M21-Y87 HydrophobicContact SD-CD2 4.44Å; M21-Y87 HydrophobicContact SD-CG 3.94Å
22	T	98.3	Very high	96.2	Very high	51 Å²	51	58.6 Å²	58.6	31%	0.313	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	153.7	-180	61.1	0	0	0	0	111.2	Q6 S7 Y72	Q6-T22 VanDerWaalsContact CA-O 3.23Å; Q6-T22 WeakPolarHBondContact CA-O 3.49Å; S7-T22 PolarHBondContact N-O 3.38Å; S7-T22 VanDerWaalsContact N-O 3.08Å; S7-T22 PolarHBondContact O-N 3Å; S7-T22 PolarHBondContact O-OG1 3.28Å; T22-Y72 CarbonylContact C-O 3.53Å; T22-Y72 VanDerWaalsContact CA-O 3.26Å; T22-Y72 WeakPolarHBondContact CA-O 3.31Å
23	C	97.6	Very high	96.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	121.6	171.7	175.2	0	0	0	0	108.6	T5 Q6 W36 Y72 C89	T5-C23 CarbonylContact O-C 3.58Å; T5-C23 WeakPolarHBondContact O-CA 3.41Å; Q6-C23 HydrophobicContact CG-CB 4.2Å; C23-W36 HydrophobicContact CB-CH2 3.6Å; C23-W36 HydrophobicContact CB-CZ2 3.71Å; C23-Y72 PolarHBondContact N-O 2.7Å; C23-Y72 PolarHBondContact O-N 3.44Å; C23-C89 HydrophobicContact CB-CB 3.5Å; C23-C89 VanDerWaalsContact CB-CB 3.5Å; C23-C89 WeakPolarHBondContact CB-SG 3.34Å; C23-C89 WeakPolarHBondContact SG-CB 3.42Å; C23-C89 CovalentContact SG-SG 2.03Å; C23-C89 PolarHBondContact SG-SG 3.25Å
24	S	97.4	Very high	96.2	Very high	48 Å²	48	57.1 Å²	57.1	34%	0.336	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126.8	-178.7	-64.3	0	0	0	0	109.7	L4 T5 T70	L4-S24 CarbonylContact C-O 3.55Å; L4-S24 WeakPolarHBondContact CA-O 3.4Å; T5-S24 PolarHBondContact N-O 2.95Å; T5-S24 PolarHBondContact O-N 2.87Å; S24-T70 CarbonylContact C-O 3.56Å; S24-T70 VanDerWaalsContact CA-O 3.29Å; S24-T70 WeakPolarHBondContact CA-O 3.27Å
25	A	95.6	Very high	96.2	Very high	10 Å²	10	54.1 Å²	54.1	8%	0.083	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	141.4	176.7	0	0	0	0	0	111.3	V3 L4 S27 V29 T70	V3-A25 CarbonylContact O-C 3.53Å; V3-A25 WeakPolarHBondContact O-CA 3.1Å; L4-A25 HydrophobicContact CD2-CB 3.5Å; A25-S27 VanDerWaalsContact CB-O 3.28Å; A25-S27 WeakPolarHBondContact CB-O 3.42Å; A25-S27 PolarHBondContact O-N 3.49Å; A25-V29 HydrophobicContact CB-CG2 3.87Å; A25-T70 PolarHBondContact N-O 2.92Å; A25-T70 WeakPolarHBondContact O-CB 3.46Å
26	S	95	Very high	96.2	Very high	77 Å²	77	48.3 Å²	48.3	54%	0.538	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	-20.6	177.8	64.1	0	0	0	0	113.7	V3	V3-S26 PolarHBondContact N-OG 3.44Å; V3-S26 PolarHBondContact O-N 3.09Å
27	S	93.8	Very high	96.2	Very high	51 Å²	51	47.9 Å²	47.9	36%	0.357	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	169.4	169.6	87.6	0	0	0	0	110.7	N2 A25 V29	N2-S27 VanDerWaalsContact CG-OG 3.24Å; N2-S27 PolarHBondContact ND2-OG 2.86Å; N2-S27 WeakPolarHBondContact OD1-CB 3.37Å; N2-S27 PolarHBondContact OD1-OG 2.84Å; A25-S27 VanDerWaalsContact CB-O 3.28Å; A25-S27 WeakPolarHBondContact CB-O 3.42Å; A25-S27 PolarHBondContact O-N 3.49Å; S27-V29 PolarHBondContact O-N 2.94Å
28	S	94.1	Very high	96.2	Very high	88 Å²	88	44.5 Å²	44.5	62%	0.615	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.3	121.4	-175.8	-177	0	0	0	0	111.7	G69	S28-G69 WeakPolarHBondContact OG-CA 3.41Å
29	V	93.4	Very high	96.2	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.018	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	141.2	170.9	176.1	0	0	0	0	107.9	A25 S27 L34 G69 Y72 Q91	A25-V29 HydrophobicContact CB-CG2 3.87Å; S27-V29 PolarHBondContact O-N 2.94Å; V29-L34 HydrophobicContact CG1-CB 4.46Å; V29-G69 PolarHBondContact N-O 3.2Å; V29-Y72 HydrophobicContact CB-CE2 4.34Å; V29-Y72 PolarHBondContact O-OH 3.4Å; V29-Q91 HydrophobicContact CG1-CB 3.87Å; V29-Q91 HydrophobicContact CG2-CB 3.95Å; V29-Q91 HydrophobicContact CG2-CG 4.33Å
30	S	94.1	Very high	96.1	Very high	57 Å²	57	43.3 Å²	43.3	40%	0.399	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-69.3	139.7	169.6	171.9	0	0	0	0	109.2	S32 Y33	S30-S32 PolarHBondContact O-N 3.08Å; S30-S32 PolarHBondContact OG-N 3.43Å; S30-Y33 PolarHBondContact O-N 3.13Å
31	S	92.9	Very high	96	Very high	56 Å²	56	46.9 Å²	46.9	39%	0.392	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-55.2	-24.4	176.9	57.6	0	0	0	0	112.9	Y33 R51 T52	S31-Y33 PolarHBondContact O-N 3.35Å; S31-R51 CarbonylContact O-C 3.52Å; S31-R51 WeakPolarHBondContact O-CA 3.41Å; S31-T52 WeakPolarHBondContact CA-OG1 3.25Å; S31-T52 WeakPolarHBondContact CB-OG1 3.29Å; S31-T52 PolarHBondContact O-N 2.78Å; S31-T52 PolarHBondContact O-OG1 2.83Å
32	S	94.5	Very high	95.8	Very high	55 Å²	55	50 Å²	50	39%	0.385	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-69.3	-16.3	175.4	-65.3	0	0	0	0	114.5	S30	S30-S32 PolarHBondContact O-N 3.08Å; S30-S32 PolarHBondContact OG-N 3.43Å
33	Y	94.5	Very high	95.7	Very high	111 Å²	111	49.4 Å²	49.4	44%	0.435	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-109	-3.3	-176.1	-64.5	-55.1	0	0	0	114.1	S30 S31 H35 Q91 W92	S30-Y33 PolarHBondContact O-N 3.13Å; S31-Y33 PolarHBondContact O-N 3.35Å; Y33-H35 PolarHBondContact O-CD2 3.48Å; Y33-Q91 CarbonylContact O-C 3.52Å; Y33-Q91 VanDerWaalsContact O-CA 3.27Å; Y33-Q91 WeakPolarHBondContact O-CA 3.34Å; Y33-W92 HydrophobicContact CD1-CB 4.03Å; Y33-W92 PolarHBondContact O-N 3.28Å
34	L	96	Very high	95.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	127	178.4	-169.9	-86.5	0	0	0	110.5	V29 R51 T52 Y72 C89 Q90	V29-L34 HydrophobicContact CG1-CB 4.46Å; L34-R51 PolarHBondContact O-N 3.14Å; L34-R51 VanDerWaalsContact O-N 3.14Å; L34-T52 PolarHBondContact O-N 3.19Å; L34-Y72 HydrophobicContact CB-CD1 4.07Å; L34-Y72 HydrophobicContact CB-CE1 3.86Å; L34-Y72 HydrophobicContact CD1-CD1 3.67Å; L34-Y72 HydrophobicContact CD1-CE1 4.34Å; L34-Y72 HydrophobicContact CD1-CG 3.79Å; L34-Y72 HydrophobicContact CG-CD1 3.63Å; L34-Y72 HydrophobicContact CG-CD2 3.95Å; L34-Y72 HydrophobicContact CG-CE1 3.9Å; L34-Y72 HydrophobicContact CG-CE2 4.22Å; L34-Y72 HydrophobicContact CG-CG 3.65Å; L34-C89 HydrophobicContact CD2-CB 4.03Å; L34-Q90 WeakPolarHBondContact CA-O 3.4Å; L34-Q90 VanDerWaalsContact CD2-O 3.26Å; L34-Q90 WeakPolarHBondContact CD2-O 3.19Å
35	H	97.1	Very high	95.6	Very high	15 Å²	15	54.7 Å²	54.7	7%	0.069	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	149.8	-178.3	-58.1	-89.3	0	0	0	110.5	Y33 Y37 I49 H50 C89 Q90 W92	Y33-H35 PolarHBondContact O-CD2 3.48Å; H35-Y37 HydrophobicContact CB-CD2 4.46Å; H35-Y37 HydrophobicContact CB-CE2 3.64Å; H35-I49 CarbonylContact C-O 3.11Å; H35-I49 WeakPolarHBondContact CA-O 3.5Å; H35-H50 VanDerWaalsContact ND1-CA 3.34Å; H35-H50 WeakPolarHBondContact ND1-CA 3.32Å; H35-H50 VanDerWaalsContact ND1-CB 3.25Å; H35-H50 WeakPolarHBondContact ND1-CB 3.41Å; H35-C89 CarbonylContact O-C 3.55Å; H35-C89 VanDerWaalsContact O-CA 3.28Å; H35-C89 WeakPolarHBondContact O-CA 3.36Å; H35-Q90 PolarHBondContact N-O 2.54Å; H35-Q90 PolarHBondContact O-N 3.23Å; H35-W92 AromaticContact CD2-CD2 3.81Å; H35-W92 AromaticContact CD2-CE2 3.84Å; H35-W92 AromaticContact CD2-NE1 3.98Å; H35-W92 AromaticContact NE2-CD2 3.64Å; H35-W92 AromaticContact NE2-CE3 3.68Å
36	W	98.1	Very high	95.7	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	140.3	170.9	-69.5	96.1	0	0	0	110.4	M21 C23 L48 I49 L74 Y88 C89	M21-W36 HydrophobicContact CG-CH2 3.86Å; M21-W36 HydrophobicContact CG-CZ3 3.84Å; M21-W36 HydrophobicContact SD-CE3 4.32Å; M21-W36 HydrophobicContact SD-CH2 4.29Å; M21-W36 HydrophobicContact SD-CZ3 3.65Å; C23-W36 HydrophobicContact CB-CH2 3.6Å; C23-W36 HydrophobicContact CB-CZ2 3.71Å; W36-L48 HydrophobicContact CB-CB 4.38Å; W36-L48 WeakPolarHBondContact O-CB 3.32Å; W36-L48 PolarHBondContact O-N 3Å; W36-I49 HydrophobicContact CB-CB 4.12Å; W36-I49 PolarHBondContact N-O 2.86Å; W36-I49 PolarHBondContact O-N 3.38Å; W36-L74 HydrophobicContact CD2-CB 3.64Å; W36-L74 HydrophobicContact CD2-CD2 4.09Å; W36-L74 HydrophobicContact CD2-CG 4.34Å; W36-L74 HydrophobicContact CE3-CB 3.84Å; W36-L74 HydrophobicContact CE3-CD2 3.82Å; W36-L74 HydrophobicContact CE3-CG 4.44Å; W36-L74 HydrophobicContact CG-CB 4.21Å; W36-L74 HydrophobicContact CG-CD1 4.41Å; W36-L74 HydrophobicContact CG-CD2 4.4Å; W36-L74 HydrophobicContact CH2-CB 3.92Å; W36-L74 HydrophobicContact CZ2-CB 3.73Å; W36-L74 HydrophobicContact CZ3-CB 3.97Å; W36-L74 HydrophobicContact CZ3-CD2 4.34Å; W36-Y88 CarbonylContact C-O 3.51Å; W36-Y88 VanDerWaalsContact CA-O 3.31Å; W36-Y88 WeakPolarHBondContact CA-O 3.28Å; W36-C89 HydrophobicContact CD2-CB 4.18Å; W36-C89 HydrophobicContact CE3-CB 3.96Å; W36-C89 HydrophobicContact CH2-CB 4Å; W36-C89 HydrophobicContact CZ2-CB 4.19Å; W36-C89 HydrophobicContact CZ3-CB 3.88Å
37	Y	98	Very high	95.8	Very high	39 Å²	39	61 Å²	61	15%	0.153	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.6	177.9	-63.8	-97.1	0	0	0	110.3	H35 K46 P47 Y87 Y88 Q90 W92	H35-Y37 HydrophobicContact CB-CD2 4.46Å; H35-Y37 HydrophobicContact CB-CE2 3.64Å; Y37-K46 CarbonylContact C-O 3.54Å; Y37-K46 VanDerWaalsContact CA-O 3.23Å; Y37-K46 WeakPolarHBondContact CA-O 3.32Å; Y37-P47 HydrophobicContact CD1-CG 4.46Å; Y37-P47 HydrophobicContact CE1-CB 4.37Å; Y37-P47 HydrophobicContact CE1-CG 4.09Å; Y37-Y87 CarbonylContact O-C 3.6Å; Y37-Y87 VanDerWaalsContact O-CA 3.3Å; Y37-Y87 WeakPolarHBondContact O-CA 3.16Å; Y37-Y88 PolarHBondContact N-O 2.62Å; Y37-Y88 PolarHBondContact O-N 2.79Å; Y37-Q90 HydrophobicContact CD2-CB 4.35Å; Y37-Q90 HydrophobicContact CE2-CB 3.89Å; Y37-Q90 PolarHBondContact OH-OE1 2.96Å; Y37-W92 WeakPolarHBondContact OH-CZ2 3.33Å
38	Q	98	Very high	96	Very high	29 Å²	29	58.9 Å²	58.9	14%	0.136	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.5	171.8	-175.6	-169.6	62.3	0	0	109	K46 L48 A85 Y87	Q38-K46 PolarHBondContact N-O 2.92Å; Q38-K46 PolarHBondContact O-N 2.9Å; Q38-L48 HydrophobicContact CB-CD1 4.35Å; Q38-A85 HydrophobicContact CG-CB 3.42Å; Q38-A85 VanDerWaalsContact CG-CB 3.42Å; Q38-Y87 HydrophobicContact CB-CD1 4.18Å; Q38-Y87 HydrophobicContact CB-CE1 3.99Å; Q38-Y87 HydrophobicContact CG-CD1 4.25Å; Q38-Y87 HydrophobicContact CG-CE1 3.72Å; Q38-Y87 PolarHBondContact NE2-OH 2.94Å
39	Q	98	Very high	96.2	Very high	56 Å²	56	54.8 Å²	54.8	26%	0.262	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	110.8	174.3	-170.3	178.9	10.2	0	0	110.2	A43 P45 A85 T86 Y88	Q39-A43 VanDerWaalsContact CG-O 3.23Å; Q39-A43 WeakPolarHBondContact CG-O 3.47Å; Q39-A43 PolarHBondContact NE2-O 3.03Å; Q39-P45 HydrophobicContact CB-CB 4.39Å; Q39-P45 HydrophobicContact CB-CG 4.23Å; Q39-P45 HydrophobicContact CG-CG 4.13Å; Q39-A85 WeakPolarHBondContact O-CA 3.44Å; Q39-A85 WeakPolarHBondContact O-CB 3.24Å; Q39-T86 PolarHBondContact N-O 2.86Å; Q39-T86 PolarHBondContact O-N 2.74Å; Q39-Y88 HydrophobicContact CB-CD2 4.41Å; Q39-Y88 HydrophobicContact CB-CE2 3.77Å; Q39-Y88 VanDerWaalsContact OE1-CE2 3.3Å; Q39-Y88 PolarHBondContact OE1-OH 2.7Å
40	K	96.5	Very high	96.4	Very high	82 Å²	82	57.7 Å²	57.7	36%	0.357	35%	0.348	S	S	.	.			trans	-78.5	156.4	171	-64.4	-173.9	176.8	-167.5	0	110.2	G42 A43 E82 A85	K40-G42 PolarHBondContact O-N 3.15Å; K40-A43 HydrophobicContact CB-CB 4.3Å; K40-A43 PolarHBondContact O-N 2.75Å; K40-E82 WeakPolarHBondContact CE-O 3.46Å; K40-E82 PolarHBondContact NZ-O 2.85Å; K40-A85 HydrophobicContact CG-CB 4.24Å
41	S	94.9	Very high	96.5	Very high	131 Å²	131	61.9 Å²	61.9	92%	0.916	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	126.4	177.7	-172.1	0	0	0	0	111.4	A43	S41-A43 PolarHBondContact O-N 3.02Å
42	G	95	Very high	96.7	Very high	90 Å²	90	59.4 Å²	59.4	93%	0.928	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	1.3	-179.4	0	0	0	0	0	116.1	K40	K40-G42 PolarHBondContact O-N 3.15Å
43	A	95.9	Very high	96.9	Very high	39 Å²	39	60 Å²	60	32%	0.322	34%	0.342	S	S	.	.	S	Bend	trans	-105.7	159.1	178.9	0	0	0	0	0	112.2	Q39 K40 S41	Q39-A43 VanDerWaalsContact CG-O 3.23Å; Q39-A43 WeakPolarHBondContact CG-O 3.47Å; Q39-A43 PolarHBondContact NE2-O 3.03Å; K40-A43 HydrophobicContact CB-CB 4.3Å; K40-A43 PolarHBondContact O-N 2.75Å; S41-A43 PolarHBondContact O-N 3.02Å
44	S	95.8	Very high	97.1	Very high	95 Å²	95	58.5 Å²	58.5	66%	0.664	34%	0.341	S	S	*	.			trans	-71.8	149.3	167.8	-51.7	0	0	0	0	110.8	K46	S44-K46 PolarHBondContact O-N 2.82Å
45	P	97	Very high	97.2	Very high	64 Å²	64	61.6 Å²	61.6	42%	0.416	36%	0.358	S	S	.	.			trans	-56	134.6	172.4	-23.9	33.3	0	0	0	111.9	Q39	Q39-P45 HydrophobicContact CB-CB 4.39Å; Q39-P45 HydrophobicContact CB-CG 4.23Å; Q39-P45 HydrophobicContact CG-CG 4.13Å
46	K	97.3	Very high	97.3	Very high	140 Å²	140	61.8 Å²	61.8	61%	0.609	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	144	176	-66.2	-174.7	-179.8	-178.5	0	110.7	Y37 Q38 S44 L48	Y37-K46 CarbonylContact C-O 3.54Å; Y37-K46 VanDerWaalsContact CA-O 3.23Å; Y37-K46 WeakPolarHBondContact CA-O 3.32Å; Q38-K46 PolarHBondContact N-O 2.92Å; Q38-K46 PolarHBondContact O-N 2.9Å; S44-K46 PolarHBondContact O-N 2.82Å; K46-L48 PolarHBondContact O-N 3.39Å
47	P	97.5	Very high	97.2	Very high	81 Å²	81	68.1 Å²	68.1	53%	0.526	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	132.5	173.7	-21.7	32.6	0	0	0	111.2	Y37 A56	Y37-P47 HydrophobicContact CD1-CG 4.46Å; Y37-P47 HydrophobicContact CE1-CB 4.37Å; Y37-P47 HydrophobicContact CE1-CG 4.09Å; P47-A56 HydrophobicContact CB-CB 4.05Å; P47-A56 WeakPolarHBondContact O-CB 3.35Å
48	L	98.1	Very high	97.2	Very high	6 Å²	6	70 Å²	70	3%	0.031	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-54.4	176.6	-171.2	72.8	0	0	0	110.5	W36 Q38 K46 A56 V59 F63 L74 Y87	W36-L48 HydrophobicContact CB-CB 4.38Å; W36-L48 WeakPolarHBondContact O-CB 3.32Å; W36-L48 PolarHBondContact O-N 3Å; Q38-L48 HydrophobicContact CB-CD1 4.35Å; K46-L48 PolarHBondContact O-N 3.39Å; L48-A56 PolarHBondContact O-N 3.21Å; L48-V59 HydrophobicContact CD1-CB 4.48Å; L48-V59 HydrophobicContact CD1-CG1 3.58Å; L48-V59 HydrophobicContact CD1-CG2 4.01Å; L48-V59 HydrophobicContact CG-CG1 4.24Å; L48-F63 HydrophobicContact CD1-CD1 3.95Å; L48-F63 HydrophobicContact CD1-CD2 4.35Å; L48-F63 HydrophobicContact CD1-CE1 3.96Å; L48-F63 HydrophobicContact CD1-CE2 4.39Å; L48-F63 HydrophobicContact CD1-CG 4.13Å; L48-F63 HydrophobicContact CD1-CZ 4.19Å; L48-F63 HydrophobicContact CD2-CD1 3.65Å; L48-F63 HydrophobicContact CD2-CE1 3.83Å; L48-F63 HydrophobicContact CD2-CG 4.47Å; L48-F63 HydrophobicContact CG-CD1 4.1Å; L48-F63 HydrophobicContact CG-CE1 4.42Å; L48-F63 HydrophobicContact CG-CG 4.47Å; L48-L74 HydrophobicContact CD2-CD1 3.83Å; L48-L74 HydrophobicContact CD2-CD2 3.63Å; L48-L74 HydrophobicContact CD2-CG 4.39Å; L48-Y87 HydrophobicContact CD2-CD1 3.85Å; L48-Y87 HydrophobicContact CD2-CE1 3.8Å
49	I	98.4	Very high	97.2	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.005	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.7	177.3	-59.2	-175.2	0	0	0	108.6	H35 W36 T52 N54 L55 G65 L74	H35-I49 CarbonylContact C-O 3.11Å; H35-I49 WeakPolarHBondContact CA-O 3.5Å; W36-I49 HydrophobicContact CB-CB 4.12Å; W36-I49 PolarHBondContact N-O 2.86Å; W36-I49 PolarHBondContact O-N 3.38Å; I49-T52 WeakPolarHBondContact CG2-O 3.17Å; I49-N54 CarbonylContact C-O 3.5Å; I49-N54 VanDerWaalsContact CA-O 3.29Å; I49-N54 WeakPolarHBondContact CA-O 3.45Å; I49-N54 WeakPolarHBondContact CG2-O 3.36Å; I49-L55 HydrophobicContact CD1-CD2 4.01Å; I49-L55 HydrophobicContact CG1-CD2 3.81Å; I49-G65 VanDerWaalsContact CD1-N 3.26Å; I49-L74 HydrophobicContact CD1-CD1 3.55Å; I49-L74 HydrophobicContact CG1-CD1 4.34Å
50	H	97	Very high	97.2	Very high	65 Å²	65	69.3 Å²	69.3	30%	0.301	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	156.8	172.4	68	89.1	0	0	0	111	H35 T52 N54	H35-H50 VanDerWaalsContact ND1-CA 3.34Å; H35-H50 WeakPolarHBondContact ND1-CA 3.32Å; H35-H50 VanDerWaalsContact ND1-CB 3.25Å; H35-H50 WeakPolarHBondContact ND1-CB 3.41Å; H50-T52 PolarHBondContact O-N 3.36Å; H50-N54 PolarHBondContact CD2-O 2.97Å; H50-N54 VanDerWaalsContact CE1-CB 3.41Å; H50-N54 WeakPolarHBondContact CE1-CB 3.43Å; H50-N54 PolarHBondContact N-O 2.73Å; H50-N54 WeakPolarHBondContact O-CB 3.33Å; H50-N54 PolarHBondContact O-N 3.41Å
51	R	96.8	Very high	97.2	Very high	144 Å²	144	69.9 Å²	69.9	54%	0.543	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	45.5	180	-57.4	-176.3	178.2	-155.2	-0.3	112.2	S31 L34 S53	S31-R51 CarbonylContact O-C 3.52Å; S31-R51 WeakPolarHBondContact O-CA 3.41Å; L34-R51 PolarHBondContact O-N 3.14Å; L34-R51 VanDerWaalsContact O-N 3.14Å; R51-S53 PolarHBondContact O-N 3.26Å
52	T	97.4	Very high	97.4	Very high	4 Å²	4	64.8 Å²	64.8	3%	0.025	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	-39.5	-179.2	-55.3	0	0	0	0	116.7	S31 L34 I49 H50 G65 Y72	S31-T52 WeakPolarHBondContact CA-OG1 3.25Å; S31-T52 WeakPolarHBondContact CB-OG1 3.29Å; S31-T52 PolarHBondContact O-N 2.78Å; S31-T52 PolarHBondContact O-OG1 2.83Å; L34-T52 PolarHBondContact O-N 3.19Å; I49-T52 WeakPolarHBondContact CG2-O 3.17Å; H50-T52 PolarHBondContact O-N 3.36Å; T52-G65 CarbonylContact O-C 3.52Å; T52-G65 WeakPolarHBondContact O-CA 3.43Å; T52-Y72 HydrophobicContact CG2-CD1 3.81Å; T52-Y72 HydrophobicContact CG2-CE1 4.12Å
53	S	97.9	Very high	97.5	Very high	69 Å²	69	60.8 Å²	60.8	48%	0.483	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.2	-8.8	-169.5	57.3	0	0	0	0	115.6	R51 G65	R51-S53 PolarHBondContact O-N 3.26Å; S53-G65 WeakPolarHBondContact CB-O 3.34Å
54	N	98.2	Very high	97.7	Very high	78 Å²	78	61.6 Å²	61.6	42%	0.417	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	119.7	-178.6	-64.6	-10.8	0	0	0	110.6	I49 H50	I49-N54 CarbonylContact C-O 3.5Å; I49-N54 VanDerWaalsContact CA-O 3.29Å; I49-N54 WeakPolarHBondContact CA-O 3.45Å; I49-N54 WeakPolarHBondContact CG2-O 3.36Å; H50-N54 PolarHBondContact CD2-O 2.97Å; H50-N54 VanDerWaalsContact CE1-CB 3.41Å; H50-N54 WeakPolarHBondContact CE1-CB 3.43Å; H50-N54 PolarHBondContact N-O 2.73Å; H50-N54 WeakPolarHBondContact O-CB 3.33Å; H50-N54 PolarHBondContact O-N 3.41Å
55	L	98.5	Very high	97.8	Very high	66 Å²	66	57.6 Å²	57.6	35%	0.346	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	135.9	176.1	-66.3	169.1	0	0	0	110.7	I49 V59 F63	I49-L55 HydrophobicContact CD1-CD2 4.01Å; I49-L55 HydrophobicContact CG1-CD2 3.81Å; L55-V59 HydrophobicContact CB-CB 4.35Å; L55-V59 HydrophobicContact CD2-CB 4.31Å; L55-V59 HydrophobicContact CD2-CG1 3.66Å; L55-F63 HydrophobicContact CD2-CB 3.74Å; L55-F63 WeakPolarHBondContact CD2-O 3.18Å
56	A	98.2	Very high	97.8	Very high	18 Å²	18	57.3 Å²	57.3	15%	0.149	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-66.4	157.9	168.5	0	0	0	0	0	110.7	P47 L48 G58 V59	P47-A56 HydrophobicContact CB-CB 4.05Å; P47-A56 WeakPolarHBondContact O-CB 3.35Å; L48-A56 PolarHBondContact O-N 3.21Å; A56-G58 PolarHBondContact O-N 2.86Å; A56-V59 HydrophobicContact CB-CG2 3.93Å; A56-V59 WeakPolarHBondContact O-CB 3.41Å; A56-V59 WeakPolarHBondContact O-CG2 3.11Å; A56-V59 PolarHBondContact O-N 3.03Å; A56-V59 VanDerWaalsContact O-N 3.13Å
57	S	97.6	Very high	97.8	Very high	133 Å²	133	52.4 Å²	52.4	93%	0.93	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	132	179.8	-172.3	0	0	0	0	111.6	V59	S57-V59 VanDerWaalsContact C-N 3.3Å; S57-V59 PolarHBondContact O-N 2.93Å
58	G	96.8	Very high	97.8	Very high	78 Å²	78	52.7 Å²	52.7	80%	0.804	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	-0.8	-179.4	0	0	0	0	0	115.3	A56	A56-G58 PolarHBondContact O-N 2.86Å
59	V	97.8	Very high	97.6	Very high	27 Å²	27	53.4 Å²	53.4	16%	0.164	36%	0.355	C	S	.	.			trans	-78.1	128.6	176.8	177.1	0	0	0	0	110.4	L48 L55 A56 S57 F63	L48-V59 HydrophobicContact CD1-CB 4.48Å; L48-V59 HydrophobicContact CD1-CG1 3.58Å; L48-V59 HydrophobicContact CD1-CG2 4.01Å; L48-V59 HydrophobicContact CG-CG1 4.24Å; L55-V59 HydrophobicContact CB-CB 4.35Å; L55-V59 HydrophobicContact CD2-CB 4.31Å; L55-V59 HydrophobicContact CD2-CG1 3.66Å; A56-V59 HydrophobicContact CB-CG2 3.93Å; A56-V59 WeakPolarHBondContact O-CB 3.41Å; A56-V59 WeakPolarHBondContact O-CG2 3.11Å; A56-V59 PolarHBondContact O-N 3.03Å; A56-V59 VanDerWaalsContact O-N 3.13Å; S57-V59 VanDerWaalsContact C-N 3.3Å; S57-V59 PolarHBondContact O-N 2.93Å; V59-F63 HydrophobicContact CG1-CB 3.9Å; V59-F63 HydrophobicContact CG1-CD2 3.73Å; V59-F63 HydrophobicContact CG1-CG 3.96Å
60	P	97.9	Very high	97.5	Very high	44 Å²	44	56.8 Å²	56.8	29%	0.286	38%	0.376	S	S	.	.			trans	-59.5	145	179.1	-29.1	38.5	0	0	0	113.7	R62 F63	P60-R62 HydrophobicContact CB-CG 3.86Å; P60-R62 VanDerWaalsContact CB-NH1 3.34Å; P60-R62 PolarHBondContact O-N 3.05Å; P60-F63 HydrophobicContact CB-CD2 4.23Å; P60-F63 HydrophobicContact CB-CE2 4.45Å; P60-F63 HydrophobicContact CG-CE2 4.39Å; P60-F63 WeakPolarHBondContact O-CD2 3.3Å; P60-F63 PolarHBondContact O-N 2.9Å; P60-F63 VanDerWaalsContact O-N 3.09Å
61	A	97.8	Very high	97.6	Very high	95 Å²	95	56.8 Å²	56.8	79%	0.785	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-8.3	-179.5	0	0	0	0	0	114.6	F63	A61-F63 PolarHBondContact O-N 3.28Å
62	R	98.2	Very high	97.6	Very high	24 Å²	24	50 Å²	50	9%	0.091	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-21.2	171.9	60.3	169.9	-174.9	-80.5	-7.4	113	P60 I76 S77 S78 E80 E82 D83	P60-R62 HydrophobicContact CB-CG 3.86Å; P60-R62 VanDerWaalsContact CB-NH1 3.34Å; P60-R62 PolarHBondContact O-N 3.05Å; R62-I76 HydrophobicContact CG-CG2 4.18Å; R62-I76 WeakPolarHBondContact O-CA 3.35Å; R62-S77 WeakPolarHBondContact CA-OG 3.17Å; R62-S77 WeakPolarHBondContact CB-OG 3.2Å; R62-S77 PolarHBondContact O-N 3.33Å; R62-S77 PolarHBondContact O-OG 2.87Å; R62-S78 WeakPolarHBondContact CD-O 3.34Å; R62-E80 VanDerWaalsContact CZ-CD 3.41Å; R62-E80 IonicContact CZ-OE1 3.44Å; R62-E80 IonicContact CZ-OE2 3.63Å; R62-E80 IonicContact NE-OE1 2.74Å; R62-E80 IonicContact NH1-OE1 3Å; R62-E80 PolarHBondContact NH1-OE1 3.23Å; R62-E80 IonicContact NH1-OE2 3.7Å; R62-E80 PolarHBondContact NH1-OE2 2.03Å; R62-E80 IonicContact NH2-OE2 3.68Å; R62-E82 IonicContact CZ-OE1 2.92Å; R62-E82 IonicContact NH1-OE1 3.47Å; R62-E82 IonicContact NH2-OE1 3.62Å; R62-E82 PolarHBondContact NH2-OE1 2.82Å; R62-D83 IonicContact CZ-OD1 3.39Å; R62-D83 IonicContact CZ-OD2 3.65Å; R62-D83 IonicContact NE-OD1 2.79Å; R62-D83 PolarHBondContact NE-OD1 3Å; R62-D83 IonicContact NE-OD2 3.79Å; R62-D83 PolarHBondContact NE-OD2 2.83Å; R62-D83 IonicContact NH2-OD1 2.7Å; R62-D83 PolarHBondContact NH2-OD1 3.34Å; R62-D83 IonicContact NH2-OD2 3.53Å
63	F	98.6	Very high	97.7	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.026	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	139.9	174.8	-69.4	-88.3	0	0	0	110.9	L48 L55 V59 P60 A61 L74 T75 I76 D83 Y87	L48-F63 HydrophobicContact CD1-CD1 3.95Å; L48-F63 HydrophobicContact CD1-CD2 4.35Å; L48-F63 HydrophobicContact CD1-CE1 3.96Å; L48-F63 HydrophobicContact CD1-CE2 4.39Å; L48-F63 HydrophobicContact CD1-CG 4.13Å; L48-F63 HydrophobicContact CD1-CZ 4.19Å; L48-F63 HydrophobicContact CD2-CD1 3.65Å; L48-F63 HydrophobicContact CD2-CE1 3.83Å; L48-F63 HydrophobicContact CD2-CG 4.47Å; L48-F63 HydrophobicContact CG-CD1 4.1Å; L48-F63 HydrophobicContact CG-CE1 4.42Å; L48-F63 HydrophobicContact CG-CG 4.47Å; L55-F63 HydrophobicContact CD2-CB 3.74Å; L55-F63 WeakPolarHBondContact CD2-O 3.18Å; V59-F63 HydrophobicContact CG1-CB 3.9Å; V59-F63 HydrophobicContact CG1-CD2 3.73Å; V59-F63 HydrophobicContact CG1-CG 3.96Å; P60-F63 HydrophobicContact CB-CD2 4.23Å; P60-F63 HydrophobicContact CB-CE2 4.45Å; P60-F63 HydrophobicContact CG-CE2 4.39Å; P60-F63 WeakPolarHBondContact O-CD2 3.3Å; P60-F63 PolarHBondContact O-N 2.9Å; P60-F63 VanDerWaalsContact O-N 3.09Å; A61-F63 PolarHBondContact O-N 3.28Å; F63-L74 HydrophobicContact CD1-CD1 4.26Å; F63-T75 CarbonylContact C-O 3.6Å; F63-T75 WeakPolarHBondContact CA-O 3.42Å; F63-I76 HydrophobicContact CD1-CD1 4.19Å; F63-I76 HydrophobicContact CD1-CG1 3.74Å; F63-I76 HydrophobicContact CE1-CD1 3.47Å; F63-I76 VanDerWaalsContact CE1-CD1 3.47Å; F63-I76 HydrophobicContact CE1-CG1 3.54Å; F63-I76 HydrophobicContact CE1-CG2 4.35Å; F63-I76 HydrophobicContact CZ-CD1 4.06Å; F63-I76 HydrophobicContact CZ-CG1 4.36Å; F63-I76 HydrophobicContact CZ-CG2 4.44Å; F63-D83 VanDerWaalsContact CZ-OD1 3.24Å; F63-D83 WeakPolarHBondContact CZ-OD1 3.31Å; F63-Y87 AromaticContact CE1-CE1 3.89Å; F63-Y87 HydrophobicContact CE1-CE1 3.89Å
64	S	98.4	Very high	97.7	Very high	56 Å²	56	47.6 Å²	47.6	39%	0.392	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	145	174.7	55.2	0	0	0	0	110.6	L74 T75	S64-L74 WeakPolarHBondContact O-CA 3.46Å; S64-T75 PolarHBondContact N-O 2.72Å; S64-T75 PolarHBondContact O-N 2.79Å; S64-T75 WeakPolarHBondContact OG-CB 3.26Å; S64-T75 PolarHBondContact OG-O 3.03Å
65	G	98.2	Very high	97.7	Very high	10 Å²	10	44.7 Å²	44.7	10%	0.103	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.3	178.3	0	0	0	0	0	110.1	I49 T52 S53 S73	I49-G65 VanDerWaalsContact CD1-N 3.26Å; T52-G65 CarbonylContact O-C 3.52Å; T52-G65 WeakPolarHBondContact O-CA 3.43Å; S53-G65 WeakPolarHBondContact CB-O 3.34Å; G65-S73 WeakPolarHBondContact CA-O 3.38Å
66	S	97.9	Very high	97.7	Very high	59 Å²	59	41.7 Å²	41.7	41%	0.413	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	164.4	-179.7	54.5	0	0	0	0	111.2	Y72 S73	S66-Y72 CarbonylContact O-C 2.97Å; S66-Y72 VanDerWaalsContact O-CA 3.3Å; S66-Y72 WeakPolarHBondContact O-CA 3.28Å; S66-S73 PolarHBondContact N-O 2.8Å; S66-S73 PolarHBondContact O-N 3.3Å; S66-S73 PolarHBondContact OG-OG 2.91Å
67	G	97	Very high	97.7	Very high	36 Å²	36	43.9 Å²	43.9	37%	0.371	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	128.5	176.3	175.4	0	0	0	0	0	113.7	S71	G67-S71 CarbonylContact C-O 3.56Å; G67-S71 WeakPolarHBondContact CA-O 3.26Å
68	S	96.3	Very high	97.8	Very high	88 Å²	88	39.8 Å²	39.8	62%	0.615	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-167.8	156.8	-180	58.3	0	0	0	0	110.3	T70 S71	S68-T70 PolarHBondContact O-N 2.82Å; S68-S71 PolarHBondContact N-O 2.84Å; S68-S71 PolarHBondContact O-N 3.34Å
69	G	95.4	Very high	97.8	Very high	21 Å²	21	37 Å²	37	22%	0.216	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	67.1	-107.5	177	0	0	0	0	0	110.6	S28 V29 Y72	S28-G69 WeakPolarHBondContact OG-CA 3.41Å; V29-G69 PolarHBondContact N-O 3.2Å; G69-Y72 PolarHBondContact N-OH 2.85Å; G69-Y72 VanDerWaalsContact O-CE2 3.3Å; G69-Y72 WeakPolarHBondContact O-CE2 3.23Å; G69-Y72 PolarHBondContact O-OH 3.39Å
70	T	96.6	Very high	97.8	Very high	71 Å²	71	39.7 Å²	39.7	44%	0.436	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-5.6	-175.2	54.3	0	0	0	0	114.3	S24 A25 S68	S24-T70 CarbonylContact C-O 3.56Å; S24-T70 VanDerWaalsContact CA-O 3.29Å; S24-T70 WeakPolarHBondContact CA-O 3.27Å; A25-T70 PolarHBondContact N-O 2.92Å; A25-T70 WeakPolarHBondContact O-CB 3.46Å; S68-T70 PolarHBondContact O-N 2.82Å
71	S	97.6	Very high	97.7	Very high	65 Å²	65	41.5 Å²	41.5	46%	0.455	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	126.6	-173.9	-168	0	0	0	0	111.7	G67 S68	G67-S71 CarbonylContact C-O 3.56Å; G67-S71 WeakPolarHBondContact CA-O 3.26Å; S68-S71 PolarHBondContact N-O 2.84Å; S68-S71 PolarHBondContact O-N 3.34Å
72	Y	98.1	Very high	97.6	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.008	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	155.9	-178.3	-58.2	-89.4	0	0	0	110.5	T22 C23 V29 L34 T52 S66 G69	T22-Y72 CarbonylContact C-O 3.53Å; T22-Y72 VanDerWaalsContact CA-O 3.26Å; T22-Y72 WeakPolarHBondContact CA-O 3.31Å; C23-Y72 PolarHBondContact N-O 2.7Å; C23-Y72 PolarHBondContact O-N 3.44Å; V29-Y72 HydrophobicContact CB-CE2 4.34Å; V29-Y72 PolarHBondContact O-OH 3.4Å; L34-Y72 HydrophobicContact CB-CD1 4.07Å; L34-Y72 HydrophobicContact CB-CE1 3.86Å; L34-Y72 HydrophobicContact CD1-CD1 3.67Å; L34-Y72 HydrophobicContact CD1-CE1 4.34Å; L34-Y72 HydrophobicContact CD1-CG 3.79Å; L34-Y72 HydrophobicContact CG-CD1 3.63Å; L34-Y72 HydrophobicContact CG-CD2 3.95Å; L34-Y72 HydrophobicContact CG-CE1 3.9Å; L34-Y72 HydrophobicContact CG-CE2 4.22Å; L34-Y72 HydrophobicContact CG-CG 3.65Å; T52-Y72 HydrophobicContact CG2-CD1 3.81Å; T52-Y72 HydrophobicContact CG2-CE1 4.12Å; S66-Y72 CarbonylContact O-C 2.97Å; S66-Y72 VanDerWaalsContact O-CA 3.3Å; S66-Y72 WeakPolarHBondContact O-CA 3.28Å; G69-Y72 PolarHBondContact N-OH 2.85Å; G69-Y72 VanDerWaalsContact O-CE2 3.3Å; G69-Y72 WeakPolarHBondContact O-CE2 3.23Å; G69-Y72 PolarHBondContact O-OH 3.39Å
73	S	98.3	Very high	97.6	Very high	22 Å²	22	40.6 Å²	40.6	15%	0.154	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	148.1	175.5	59.1	0	0	0	0	111.7	M21 G65 S66	M21-S73 CarbonylContact O-C 3.54Å; M21-S73 WeakPolarHBondContact O-CA 3.3Å; M21-S73 WeakPolarHBondContact O-CB 3.42Å; G65-S73 WeakPolarHBondContact CA-O 3.38Å; S66-S73 PolarHBondContact N-O 2.8Å; S66-S73 PolarHBondContact O-N 3.3Å; S66-S73 PolarHBondContact OG-OG 2.91Å
74	L	98.5	Very high	97.5	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.3	166.1	171.6	69.3	0	0	0	107.8	T20 M21 W36 L48 I49 F63 S64 Y87	T20-L74 WeakPolarHBondContact CA-O 3.37Å; M21-L74 HydrophobicContact CE-CD2 3.92Å; M21-L74 HydrophobicContact CG-CB 3.75Å; M21-L74 HydrophobicContact CG-CD2 4.31Å; M21-L74 HydrophobicContact CG-CG 4.38Å; M21-L74 PolarHBondContact N-O 2.82Å; M21-L74 PolarHBondContact O-N 2.89Å; M21-L74 HydrophobicContact SD-CB 4.29Å; M21-L74 HydrophobicContact SD-CD2 3.79Å; M21-L74 HydrophobicContact SD-CG 4.47Å; W36-L74 HydrophobicContact CD2-CB 3.64Å; W36-L74 HydrophobicContact CD2-CD2 4.09Å; W36-L74 HydrophobicContact CD2-CG 4.34Å; W36-L74 HydrophobicContact CE3-CB 3.84Å; W36-L74 HydrophobicContact CE3-CD2 3.82Å; W36-L74 HydrophobicContact CE3-CG 4.44Å; W36-L74 HydrophobicContact CG-CB 4.21Å; W36-L74 HydrophobicContact CG-CD1 4.41Å; W36-L74 HydrophobicContact CG-CD2 4.4Å; W36-L74 HydrophobicContact CH2-CB 3.92Å; W36-L74 HydrophobicContact CZ2-CB 3.73Å; W36-L74 HydrophobicContact CZ3-CB 3.97Å; W36-L74 HydrophobicContact CZ3-CD2 4.34Å; L48-L74 HydrophobicContact CD2-CD1 3.83Å; L48-L74 HydrophobicContact CD2-CD2 3.63Å; L48-L74 HydrophobicContact CD2-CG 4.39Å; I49-L74 HydrophobicContact CD1-CD1 3.55Å; I49-L74 HydrophobicContact CG1-CD1 4.34Å; F63-L74 HydrophobicContact CD1-CD1 4.26Å; S64-L74 WeakPolarHBondContact O-CA 3.46Å; L74-Y87 HydrophobicContact CD2-CD1 3.55Å; L74-Y87 HydrophobicContact CD2-CE1 4.18Å; L74-Y87 HydrophobicContact CD2-CG 4.15Å
75	T	98.5	Very high	97.4	Very high	16 Å²	16	45.6 Å²	45.6	10%	0.098	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132	179.6	-65.2	0	0	0	0	109.6	K18 V19 T20 F63 S64	K18-T75 HydrophobicContact CD-CG2 4.43Å; K18-T75 VanDerWaalsContact CE-CG2 3.48Å; K18-T75 HydrophobicContact CG-CG2 4.16Å; V19-T75 VanDerWaalsContact O-CA 3.32Å; V19-T75 WeakPolarHBondContact O-CA 3.3Å; T20-T75 WeakPolarHBondContact CG2-OG1 3.44Å; T20-T75 PolarHBondContact OG1-OG1 2.93Å; F63-T75 CarbonylContact C-O 3.6Å; F63-T75 WeakPolarHBondContact CA-O 3.42Å; S64-T75 PolarHBondContact N-O 2.72Å; S64-T75 PolarHBondContact O-N 2.79Å; S64-T75 WeakPolarHBondContact OG-CB 3.26Å; S64-T75 PolarHBondContact OG-O 3.03Å
76	I	98.4	Very high	97.4	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	115.8	166.8	-43.5	178.6	0	0	0	105.9	K18 V19 R62 F63 S78 V79 D83 Y87	K18-I76 WeakPolarHBondContact CA-O 2.99Å; V19-I76 HydrophobicContact CG2-CB 3.61Å; V19-I76 HydrophobicContact CG2-CD1 3.88Å; V19-I76 HydrophobicContact CG2-CG1 3.79Å; V19-I76 PolarHBondContact N-O 3.27Å; V19-I76 PolarHBondContact O-N 2.89Å; R62-I76 HydrophobicContact CG-CG2 4.18Å; R62-I76 WeakPolarHBondContact O-CA 3.35Å; F63-I76 HydrophobicContact CD1-CD1 4.19Å; F63-I76 HydrophobicContact CD1-CG1 3.74Å; F63-I76 HydrophobicContact CE1-CD1 3.47Å; F63-I76 VanDerWaalsContact CE1-CD1 3.47Å; F63-I76 HydrophobicContact CE1-CG1 3.54Å; F63-I76 HydrophobicContact CE1-CG2 4.35Å; F63-I76 HydrophobicContact CZ-CD1 4.06Å; F63-I76 HydrophobicContact CZ-CG1 4.36Å; F63-I76 HydrophobicContact CZ-CG2 4.44Å; I76-S78 VanDerWaalsContact C-N 3.33Å; I76-V79 HydrophobicContact CB-CG2 4.45Å; I76-V79 HydrophobicContact CG2-CG2 4.39Å; I76-D83 HydrophobicContact CD1-CB 4.24Å; I76-Y87 HydrophobicContact CD1-CE1 4.44Å
77	S	98.3	Very high	97.4	Very high	63 Å²	63	46.9 Å²	46.9	44%	0.441	30%	0.3	S	S	.	.	S	Bend	trans	-72.3	-27.5	-173.5	60.9	0	0	0	0	113.5	R62	R62-S77 WeakPolarHBondContact CA-OG 3.17Å; R62-S77 WeakPolarHBondContact CB-OG 3.2Å; R62-S77 PolarHBondContact O-N 3.33Å; R62-S77 PolarHBondContact O-OG 2.87Å
78	S	98.3	Very high	97.4	Very high	48 Å²	48	49.6 Å²	49.6	34%	0.336	30%	0.3	S	S	.	.	S	Bend	trans	-150.6	98.8	179.7	170.3	0	0	0	0	109.1	R62 I76 E80	R62-S78 WeakPolarHBondContact CD-O 3.34Å; I76-S78 VanDerWaalsContact C-N 3.33Å; S78-E80 PolarHBondContact O-N 2.85Å
79	V	98.1	Very high	97.4	Very high	20 Å²	20	46 Å²	46	12%	0.121	28%	0.275	C	S	.	.			trans	-60	134.2	-179.2	169	0	0	0	0	111.6	A13 L15 G16 Q17 V19 I76 D83	A13-V79 HydrophobicContact CB-CG2 4.26Å; L15-V79 CarbonylContact C-O 3.6Å; L15-V79 WeakPolarHBondContact CA-O 2.99Å; G16-V79 PolarHBondContact N-O 3.25Å; Q17-V79 WeakPolarHBondContact O-CG2 3.47Å; Q17-V79 PolarHBondContact O-N 2.99Å; V19-V79 HydrophobicContact CB-CG2 4.27Å; V19-V79 HydrophobicContact CG1-CG2 3.77Å; V19-V79 HydrophobicContact CG2-CG2 3.51Å; I76-V79 HydrophobicContact CB-CG2 4.45Å; I76-V79 HydrophobicContact CG2-CG2 4.39Å; V79-D83 HydrophobicContact CG1-CB 4.47Å
80	E	98	Very high	97.4	Very high	83 Å²	83	49.1 Å²	49.1	39%	0.388	28%	0.284	S	S	.	.			trans	-114.8	163.7	171.6	-70.2	174.3	-150.6	0	0	111.1	R62 S78 E82 D83	R62-E80 VanDerWaalsContact CZ-CD 3.41Å; R62-E80 IonicContact CZ-OE1 3.44Å; R62-E80 IonicContact CZ-OE2 3.63Å; R62-E80 IonicContact NE-OE1 2.74Å; R62-E80 IonicContact NH1-OE1 3Å; R62-E80 PolarHBondContact NH1-OE1 3.23Å; R62-E80 IonicContact NH1-OE2 3.7Å; R62-E80 PolarHBondContact NH1-OE2 2.03Å; R62-E80 IonicContact NH2-OE2 3.68Å; S78-E80 PolarHBondContact O-N 2.85Å; E80-E82 HydrophobicContact CB-CG 4.1Å; E80-E82 PolarHBondContact O-N 3.49Å; E80-E82 VanDerWaalsContact O-N 3.15Å; E80-D83 PolarHBondContact N-OD2 2.99Å; E80-D83 VanDerWaalsContact O-CB 3.32Å; E80-D83 WeakPolarHBondContact O-CB 3.29Å; E80-D83 PolarHBondContact O-N 2.8Å
81	A	96.2	Very high	97.2	Very high	81 Å²	81	47 Å²	47	67%	0.669	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-60.4	-27.8	-178.2	0	0	0	0	0	112.9	L15 D83	L15-A81 HydrophobicContact CD2-CB 4.25Å; A81-D83 PolarHBondContact O-N 3.08Å
82	E	95.7	Very high	96.7	Very high	92 Å²	92	48.7 Å²	48.7	43%	0.43	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-76.5	-7.1	178	62.7	172.8	-148.5	0	0	114.6	K40 R62 E80 D84	K40-E82 WeakPolarHBondContact CE-O 3.46Å; K40-E82 PolarHBondContact NZ-O 2.85Å; R62-E82 IonicContact CZ-OE1 2.92Å; R62-E82 IonicContact NH1-OE1 3.47Å; R62-E82 IonicContact NH2-OE1 3.62Å; R62-E82 PolarHBondContact NH2-OE1 2.82Å; E80-E82 HydrophobicContact CB-CG 4.1Å; E80-E82 PolarHBondContact O-N 3.49Å; E80-E82 VanDerWaalsContact O-N 3.15Å; E82-D84 VanDerWaalsContact C-N 3.3Å
83	D	96.9	Very high	95.8	Very high	9 Å²	9	50.8 Å²	50.8	5%	0.048	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-86	-1.9	-180	-61.6	-28.6	0	0	0	112.6	R62 F63 I76 V79 E80 A81 A85 Y87	R62-D83 IonicContact CZ-OD1 3.39Å; R62-D83 IonicContact CZ-OD2 3.65Å; R62-D83 IonicContact NE-OD1 2.79Å; R62-D83 PolarHBondContact NE-OD1 3Å; R62-D83 IonicContact NE-OD2 3.79Å; R62-D83 PolarHBondContact NE-OD2 2.83Å; R62-D83 IonicContact NH2-OD1 2.7Å; R62-D83 PolarHBondContact NH2-OD1 3.34Å; R62-D83 IonicContact NH2-OD2 3.53Å; F63-D83 VanDerWaalsContact CZ-OD1 3.24Å; F63-D83 WeakPolarHBondContact CZ-OD1 3.31Å; I76-D83 HydrophobicContact CD1-CB 4.24Å; V79-D83 HydrophobicContact CG1-CB 4.47Å; E80-D83 PolarHBondContact N-OD2 2.99Å; E80-D83 VanDerWaalsContact O-CB 3.32Å; E80-D83 WeakPolarHBondContact O-CB 3.29Å; E80-D83 PolarHBondContact O-N 2.8Å; A81-D83 PolarHBondContact O-N 3.08Å; D83-A85 PolarHBondContact O-N 2.97Å; D83-Y87 WeakPolarHBondContact O-CE2 3.23Å; D83-Y87 PolarHBondContact O-OH 3.46Å
84	D	96.6	Very high	94.2	Very high	143 Å²	143	51.7 Å²	51.7	77%	0.765	29%	0.293	S	S	*	.			trans	-66.4	100	170.7	-174.5	17.9	0	0	0	110.4	E82	E82-D84 VanDerWaalsContact C-N 3.3Å
85	A	97.6	Very high	92.3	Very high	23 Å²	23	58.7 Å²	58.7	19%	0.19	32%	0.321	C	S	.	.	S	Bend	trans	-163.3	161.5	-171.8	0	0	0	0	0	110.7	Q38 Q39 K40 D83 Y87	Q38-A85 HydrophobicContact CG-CB 3.42Å; Q38-A85 VanDerWaalsContact CG-CB 3.42Å; Q39-A85 WeakPolarHBondContact O-CA 3.44Å; Q39-A85 WeakPolarHBondContact O-CB 3.24Å; K40-A85 HydrophobicContact CG-CB 4.24Å; D83-A85 PolarHBondContact O-N 2.97Å; A85-Y87 HydrophobicContact CB-CE2 3.93Å; A85-Y87 VanDerWaalsContact O-CD2 3.31Å; A85-Y87 WeakPolarHBondContact O-CD2 3.33Å; A85-Y87 WeakPolarHBondContact O-CE2 3.23Å
86	T	97.6	Very high	90.1	Very high	74 Å²	74	63.9 Å²	63.9	45%	0.454	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	134.7	163.5	-45.5	0	0	0	0	109.5	Q39 Y88	Q39-T86 PolarHBondContact N-O 2.86Å; Q39-T86 PolarHBondContact O-N 2.74Å; T86-Y88 HydrophobicContact CG2-CD2 4.45Å; T86-Y88 HydrophobicContact CG2-CE1 3.79Å; T86-Y88 HydrophobicContact CG2-CE2 3.64Å; T86-Y88 WeakPolarHBondContact CG2-OH 3.43Å
87	Y	97.9	Very high	87.6	Confident	23 Å²	23	75.6 Å²	75.6	9%	0.09	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	137.5	-179.7	-65.7	-94.5	0	0	0	110.2	Q6 M21 Y37 Q38 L48 F63 L74 I76 D83 A85	Q6-Y87 PolarHBondContact NE2-O 3Å; M21-Y87 HydrophobicContact CE-CD1 4.15Å; M21-Y87 HydrophobicContact CE-CD2 3.53Å; M21-Y87 HydrophobicContact CE-CE2 4.23Å; M21-Y87 HydrophobicContact CE-CG 3.49Å; M21-Y87 VanDerWaalsContact CE-CG 3.49Å; M21-Y87 WeakPolarHBondContact SD-CB 3.3Å; M21-Y87 HydrophobicContact SD-CD2 4.44Å; M21-Y87 HydrophobicContact SD-CG 3.94Å; Y37-Y87 CarbonylContact O-C 3.6Å; Y37-Y87 VanDerWaalsContact O-CA 3.3Å; Y37-Y87 WeakPolarHBondContact O-CA 3.16Å; Q38-Y87 HydrophobicContact CB-CD1 4.18Å; Q38-Y87 HydrophobicContact CB-CE1 3.99Å; Q38-Y87 HydrophobicContact CG-CD1 4.25Å; Q38-Y87 HydrophobicContact CG-CE1 3.72Å; Q38-Y87 PolarHBondContact NE2-OH 2.94Å; L48-Y87 HydrophobicContact CD2-CD1 3.85Å; L48-Y87 HydrophobicContact CD2-CE1 3.8Å; F63-Y87 AromaticContact CE1-CE1 3.89Å; F63-Y87 HydrophobicContact CE1-CE1 3.89Å; L74-Y87 HydrophobicContact CD2-CD1 3.55Å; L74-Y87 HydrophobicContact CD2-CE1 4.18Å; L74-Y87 HydrophobicContact CD2-CG 4.15Å; I76-Y87 HydrophobicContact CD1-CE1 4.44Å; D83-Y87 WeakPolarHBondContact O-CE2 3.23Å; D83-Y87 PolarHBondContact O-OH 3.46Å; A85-Y87 HydrophobicContact CB-CE2 3.93Å; A85-Y87 VanDerWaalsContact O-CD2 3.31Å; A85-Y87 WeakPolarHBondContact O-CD2 3.33Å; A85-Y87 WeakPolarHBondContact O-CE2 3.23Å
88	Y	97.2	Very high	87.1	Confident	92 Å²	92	76.3 Å²	76.3	36%	0.361	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.5	-176.8	-56.2	-85.1	0	0	0	111	Q6 W36 Y37 Q39 T86	Q6-Y88 VanDerWaalsContact OE1-CA 3.3Å; W36-Y88 CarbonylContact C-O 3.51Å; W36-Y88 VanDerWaalsContact CA-O 3.31Å; W36-Y88 WeakPolarHBondContact CA-O 3.28Å; Y37-Y88 PolarHBondContact N-O 2.62Å; Y37-Y88 PolarHBondContact O-N 2.79Å; Q39-Y88 HydrophobicContact CB-CD2 4.41Å; Q39-Y88 HydrophobicContact CB-CE2 3.77Å; Q39-Y88 VanDerWaalsContact OE1-CE2 3.3Å; Q39-Y88 PolarHBondContact OE1-OH 2.7Å; T86-Y88 HydrophobicContact CG2-CD2 4.45Å; T86-Y88 HydrophobicContact CG2-CE1 3.79Å; T86-Y88 HydrophobicContact CG2-CE2 3.64Å; T86-Y88 WeakPolarHBondContact CG2-OH 3.43Å
89	C	96.6	Very high	86.5	Confident	13 Å²	13	77.7 Å²	77.7	9%	0.088	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	144.7	163.7	67.2	0	0	0	0	110.7	Q6 C23 L34 H35 W36	Q6-C89 VanDerWaalsContact CG-SG 3.55Å; Q6-C89 PolarHBondContact OE1-SG 2.97Å; C23-C89 HydrophobicContact CB-CB 3.5Å; C23-C89 VanDerWaalsContact CB-CB 3.5Å; C23-C89 WeakPolarHBondContact CB-SG 3.34Å; C23-C89 WeakPolarHBondContact SG-CB 3.42Å; C23-C89 CovalentContact SG-SG 2.03Å; C23-C89 PolarHBondContact SG-SG 3.25Å; L34-C89 HydrophobicContact CD2-CB 4.03Å; H35-C89 CarbonylContact O-C 3.55Å; H35-C89 VanDerWaalsContact O-CA 3.28Å; H35-C89 WeakPolarHBondContact O-CA 3.36Å; W36-C89 HydrophobicContact CD2-CB 4.18Å; W36-C89 HydrophobicContact CE3-CB 3.96Å; W36-C89 HydrophobicContact CH2-CB 4Å; W36-C89 HydrophobicContact CZ2-CB 4.19Å; W36-C89 HydrophobicContact CZ3-CB 3.88Å
90	Q	95	Very high	85.8	Confident	87 Å²	87	80.9 Å²	80.9	41%	0.407	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	141.9	176.7	-165.7	-171.2	15.2	0	0	110.1	L34 H35 Y37 W92	L34-Q90 WeakPolarHBondContact CA-O 3.4Å; L34-Q90 VanDerWaalsContact CD2-O 3.26Å; L34-Q90 WeakPolarHBondContact CD2-O 3.19Å; H35-Q90 PolarHBondContact N-O 2.54Å; H35-Q90 PolarHBondContact O-N 3.23Å; Y37-Q90 HydrophobicContact CD2-CB 4.35Å; Y37-Q90 HydrophobicContact CE2-CB 3.89Å; Y37-Q90 PolarHBondContact OH-OE1 2.96Å; Q90-W92 VanDerWaalsContact CD-NE1 3.29Å
91	Q	92.2	Very high	85.1	Confident	26 Å²	26	80.8 Å²	80.8	12%	0.121	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	141	172.7	69.7	78.6	26	0	0	110.3	N2 L4 V29 Y33 S93 G94	N2-Q91 HydrophobicContact CB-CG 4.18Å; L4-Q91 HydrophobicContact CD1-CB 4.07Å; L4-Q91 HydrophobicContact CD1-CG 4.06Å; L4-Q91 HydrophobicContact CD2-CB 4.38Å; L4-Q91 HydrophobicContact CD2-CG 4.21Å; L4-Q91 HydrophobicContact CG-CG 4.21Å; V29-Q91 HydrophobicContact CG1-CB 3.87Å; V29-Q91 HydrophobicContact CG2-CB 3.95Å; V29-Q91 HydrophobicContact CG2-CG 4.33Å; Y33-Q91 CarbonylContact O-C 3.52Å; Y33-Q91 VanDerWaalsContact O-CA 3.27Å; Y33-Q91 WeakPolarHBondContact O-CA 3.34Å; Q91-S93 PolarHBondContact OE1-OG 3.48Å; Q91-G94 PolarHBondContact NE2-O 2.96Å
92	W	87.1	Confident	84.4	Confident	100 Å²	100	80.8 Å²	80.8	38%	0.379	41%	0.41	S	S	.	.			trans	-113	11.2	175.9	-64.5	0.6	0	0	0	113.6	Y33 H35 Y37 Q90 G94	Y33-W92 HydrophobicContact CD1-CB 4.03Å; Y33-W92 PolarHBondContact O-N 3.28Å; H35-W92 AromaticContact CD2-CD2 3.81Å; H35-W92 AromaticContact CD2-CE2 3.84Å; H35-W92 AromaticContact CD2-NE1 3.98Å; H35-W92 AromaticContact NE2-CD2 3.64Å; H35-W92 AromaticContact NE2-CE3 3.68Å; Y37-W92 WeakPolarHBondContact OH-CZ2 3.33Å; Q90-W92 VanDerWaalsContact CD-NE1 3.29Å; W92-G94 PolarHBondContact O-N 2.88Å
93	S	78.5	Confident	83.7	Confident	47 Å²	47	80.1 Å²	80.1	33%	0.329	41%	0.409	S	S	.	.	S	Bend	trans	-71.2	-15.6	-177.8	65.5	0	0	0	0	114.5	N2 Q91	N2-S93 PolarHBondContact ND2-OG 2.89Å; Q91-S93 PolarHBondContact OE1-OG 3.48Å
94	G	65.5	Low	82.7	Confident	40 Å²	40	85.1 Å²	85.1	41%	0.412	44%	0.435	S	S	.	.			trans	-149	113.2	172.4	0	0	0	0	0	110	Q91 W92	Q91-G94 PolarHBondContact NE2-O 2.96Å; W92-G94 PolarHBondContact O-N 2.88Å
95	Y	59	Low	81.7	Confident	149 Å²	149	80.7 Å²	80.7	58%	0.584	41%	0.409	S	S	*	.			trans	-73.2	134.5	164.2	-63.7	-79.3	0	0	0	108	F97	Y95-F97 HydrophobicContact CD2-CE2 4.18Å; Y95-F97 HydrophobicContact CD2-CZ 4.01Å; Y95-F97 HydrophobicContact CG-CE2 4.22Å; Y95-F97 AromaticContact CG-CZ 3.93Å; Y95-F97 HydrophobicContact CG-CZ 3.93Å; Y95-F97 PolarHBondContact O-N 3.04Å
96	P	50.9	Low	80.3	Confident	124 Å²	124	85.5 Å²	85.5	81%	0.805	43%	0.428	S	S	*	.			trans	-67.6	104.3	163.2	27.7	-28.4	0	0	0	107.3
97	F	46.5	Very low	78.8	Confident	251 Å²	251	86.5 Å²	86.5	100%	1.101	43%	0.425	S	S	*	.			trans	-104.9	0	156.2	-51	-70.8	0	0	0	107.3	Y95	Y95-F97 HydrophobicContact CD2-CE2 4.18Å; Y95-F97 HydrophobicContact CD2-CZ 4.01Å; Y95-F97 HydrophobicContact CG-CE2 4.22Å; Y95-F97 AromaticContact CG-CZ 3.93Å; Y95-F97 HydrophobicContact CG-CZ 3.93Å; Y95-F97 PolarHBondContact O-N 3.04Å

Retrieved 97 of 97 residues in 50.7 ms (Link to these results)

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