X5J4P4_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4P4, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 115 aa.

						>X5J4P4_MOUSE|X5J4P4
PGLVQPSQSLSITCTVSGFSLTSYGVHWVRQSPGKGLEWLGVIWSGGSTDYNAAFISRLSISKDNSKSQVFFKMNSLQADDTAIYYCARNYGFYDYDAGVYYFDYWGQGTTLTVS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	P	60.2	Low	80.2	Confident	117 Å²	117	75 Å²	75	76%	0.76	46%	0.462	S	S	*	.				0	132.7	0	-5.8	25.9	0	0	0	109	T110	P1-T110 HydrophobicContact CB-CG2 3.29Å; P1-T110 HydrophobicContact CG-CG2 3.15Å; P1-T110 WeakPolarHBondContact CG-OG1 3.29Å
2	G	70.8	Confident	81.3	Confident	41 Å²	41	69.7 Å²	69.7	42%	0.423	43%	0.428	S	S	.	.			trans	-148.4	-161.2	-162.3	0	0	0	0	0	112.8	V4	G2-V4 PolarHBondContact O-N 3.33Å
3	L	76.4	Confident	82.3	Confident	118 Å²	118	69.5 Å²	69.5	62%	0.618	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	126.8	179.5	-167.2	66.2	0	0	0	111	T113 S115	L3-T113 WeakPolarHBondContact CA-O 3.24Å; L3-T113 HydrophobicContact CD1-CG2 3.7Å; L3-S115 WeakPolarHBondContact CD1-OG 3.42Å
4	V	80.3	Confident	83.2	Confident	25 Å²	25	65.4 Å²	65.4	15%	0.152	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	148.6	176.5	-64	0	0	0	0	110.4	G2 L77 L112 T113 V114 S115	G2-V4 PolarHBondContact O-N 3.33Å; V4-L77 HydrophobicContact CB-CD1 4.27Å; V4-L77 HydrophobicContact CG2-CD1 3.61Å; V4-L112 HydrophobicContact CG1-CD1 4.12Å; V4-L112 HydrophobicContact CG2-CD1 3.8Å; V4-L112 HydrophobicContact CG2-CG 4.22Å; V4-T113 PolarHBondContact N-O 3.34Å; V4-V114 HydrophobicContact CG2-CB 4.3Å; V4-V114 HydrophobicContact CG2-CG1 4.36Å; V4-V114 HydrophobicContact CG2-CG2 3.75Å; V4-V114 WeakPolarHBondContact O-CA 3.47Å; V4-S115 PolarHBondContact O-N 3.35Å
5	Q	80.6	Confident	84	Confident	108 Å²	108	67.1 Å²	67.1	51%	0.505	41%	0.413	S	S	.	.			trans	-81.8	151.1	178	-71.5	-78.6	-50.3	0	0	110.5	Q8 S115	Q5-Q8 HydrophobicContact CB-CG 4.14Å; Q5-Q8 WeakPolarHBondContact O-CB 3.29Å; Q5-Q8 PolarHBondContact O-N 3.3Å; Q5-S115 PolarHBondContact NE2-O 3.01Å; Q5-S115 VanDerWaalsContact NE2-O 3.1Å
6	P	79.9	Confident	84.4	Confident	55 Å²	55	63.7 Å²	63.7	36%	0.357	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	152.5	170.3	-24.8	33.9	0	0	0	112.3	Q8 L77 V114	P6-Q8 PolarHBondContact O-N 3Å; P6-Q8 VanDerWaalsContact O-N 3.12Å; P6-L77 WeakPolarHBondContact CA-O 3.17Å; P6-V114 HydrophobicContact CG-CG1 4.24Å
7	S	81.3	Confident	84.6	Confident	98 Å²	98	64.4 Å²	64.4	69%	0.685	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	-5.7	-176.7	-49.1	0	0	0	0	116.3	L77	S7-L77 PolarHBondContact N-O 2.83Å
8	Q	86.3	Confident	84.8	Confident	98 Å²	98	65.3 Å²	65.3	46%	0.458	42%	0.423	S	S	.	.			trans	-73.1	169.7	169.8	-66	-171.4	-25.2	0	0	111.6	Q5 P6 S76 L77	Q5-Q8 HydrophobicContact CB-CG 4.14Å; Q5-Q8 WeakPolarHBondContact O-CB 3.29Å; Q5-Q8 PolarHBondContact O-N 3.3Å; P6-Q8 PolarHBondContact O-N 3Å; P6-Q8 VanDerWaalsContact O-N 3.12Å; Q8-S76 PolarHBondContact O-N 3.13Å; Q8-L77 VanDerWaalsContact O-CG 3.31Å; Q8-L77 WeakPolarHBondContact O-CG 3.2Å; Q8-L77 PolarHBondContact O-N 2.84Å
9	S	87.9	Confident	84.9	Confident	68 Å²	68	63.2 Å²	63.2	48%	0.476	41%	0.407	S	S	.	.			trans	-106.4	141.4	173	-56.5	0	0	0	0	110.3	M74 N75	S9-M74 CarbonylContact C-O 3.6Å; S9-M74 VanDerWaalsContact CA-O 3.29Å; S9-M74 WeakPolarHBondContact CA-O 2.85Å; S9-N75 PolarHBondContact OG-OD1 2.59Å
10	L	87.1	Confident	85.2	Confident	17 Å²	17	62.6 Å²	62.6	9%	0.089	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	142.1	171.5	176.4	67.3	0	0	0	109.7	I12 K73 M74 L77 L112	L10-I12 HydrophobicContact CD1-CG1 4.16Å; L10-I12 HydrophobicContact CD2-CD1 3.62Å; L10-I12 HydrophobicContact CD2-CG1 3.65Å; L10-I12 HydrophobicContact CG-CD1 4.33Å; L10-I12 HydrophobicContact CG-CG1 3.79Å; L10-K73 VanDerWaalsContact O-CA 3.25Å; L10-K73 WeakPolarHBondContact O-CA 3.44Å; L10-K73 WeakPolarHBondContact O-CG 3.49Å; L10-M74 PolarHBondContact N-O 3.24Å; L10-M74 PolarHBondContact O-N 3.21Å; L10-L77 HydrophobicContact CB-CD1 3.83Å; L10-L77 HydrophobicContact CB-CD2 4.18Å; L10-L77 HydrophobicContact CB-CG 4.46Å; L10-L112 HydrophobicContact CD1-CD1 3.65Å; L10-L112 HydrophobicContact CD2-CD1 3.87Å; L10-L112 HydrophobicContact CD2-CD2 3.39Å; L10-L112 HydrophobicContact CD2-CG 4.13Å; L10-L112 HydrophobicContact CG-CD1 4.31Å; L10-L112 HydrophobicContact CG-CD2 4.46Å
11	S	91.4	Very high	85.6	Confident	80 Å²	80	59.8 Å²	59.8	56%	0.559	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.6	124	163.6	-171	0	0	0	0	109.3	F72	S11-F72 CarbonylContact C-O 3.6Å; S11-F72 WeakPolarHBondContact CA-O 3.2Å
12	I	92.7	Very high	87.2	Confident	11 Å²	11	58.1 Å²	58.1	6%	0.056	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133.8	174.3	-50.8	176.7	0	0	0	108.1	L10 W28 F71 F72 Y85 T110	L10-I12 HydrophobicContact CD1-CG1 4.16Å; L10-I12 HydrophobicContact CD2-CD1 3.62Å; L10-I12 HydrophobicContact CD2-CG1 3.65Å; L10-I12 HydrophobicContact CG-CD1 4.33Å; L10-I12 HydrophobicContact CG-CG1 3.79Å; I12-W28 HydrophobicContact CB-CH2 4.01Å; I12-W28 HydrophobicContact CB-CZ3 4.06Å; I12-W28 HydrophobicContact CG2-CH2 3.75Å; I12-W28 HydrophobicContact CG2-CZ3 3.74Å; I12-F71 WeakPolarHBondContact O-CA 3.35Å; I12-F72 HydrophobicContact CB-CD1 4.44Å; I12-F72 HydrophobicContact CD1-CD1 4.03Å; I12-F72 HydrophobicContact CD1-CE1 4.41Å; I12-F72 HydrophobicContact CG1-CD1 4.23Å; I12-F72 PolarHBondContact N-O 2.87Å; I12-F72 PolarHBondContact O-N 2.88Å; I12-Y85 VanDerWaalsContact CD1-CB 3.45Å; I12-Y85 HydrophobicContact CD1-CD1 3.92Å; I12-Y85 HydrophobicContact CD1-CD2 4.15Å; I12-Y85 HydrophobicContact CD1-CG 3.58Å; I12-T110 HydrophobicContact CD1-CG2 3.93Å; I12-T110 HydrophobicContact CG1-CG2 4.26Å; I12-T110 HydrophobicContact CG2-CG2 4.1Å
13	T	95.3	Very high	88.1	Confident	68 Å²	68	59.8 Å²	59.8	42%	0.417	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.6	173.5	-56.2	0	0	0	0	109.3	Q69 F71	T13-Q69 HydrophobicContact CG2-CB 4.18Å; T13-Q69 HydrophobicContact CG2-CG 3.92Å; T13-F71 HydrophobicContact CG2-CD1 3.97Å; T13-F71 HydrophobicContact CG2-CE1 3.67Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.44Å
14	C	94.6	Very high	88.7	Confident	11 Å²	11	58 Å²	58	7%	0.074	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	110.8	168	175.8	0	0	0	0	108.9	W28 Q69 V70 C87	C14-W28 HydrophobicContact CB-CH2 3.64Å; C14-W28 HydrophobicContact CB-CZ2 3.77Å; C14-Q69 CarbonylContact O-C 3.46Å; C14-Q69 WeakPolarHBondContact O-CA 3.41Å; C14-V70 HydrophobicContact CB-CB 4.47Å; C14-V70 PolarHBondContact N-O 3.13Å; C14-V70 PolarHBondContact O-N 3.11Å; C14-C87 HydrophobicContact CB-CB 3.47Å; C14-C87 VanDerWaalsContact CB-CB 3.47Å; C14-C87 WeakPolarHBondContact CB-SG 3.38Å; C14-C87 WeakPolarHBondContact SG-CB 3.25Å; C14-C87 CovalentContact SG-SG 2.03Å; C14-C87 PolarHBondContact SG-SG 3.16Å
15	T	94.7	Very high	89.3	Confident	92 Å²	92	56.9 Å²	56.9	56%	0.564	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	120.5	170	-54.5	0	0	0	0	108.2	S68 Q69	T15-S68 WeakPolarHBondContact CA-O 3.41Å; T15-Q69 HydrophobicContact CG2-CG 4.34Å; T15-Q69 PolarHBondContact OG1-NE2 3.4Å
16	V	90.4	Very high	90	Very high	12 Å²	12	51.9 Å²	51.9	7%	0.073	34%	0.335	C	S	.	.			trans	-93.2	144.4	-179.5	-56.3	0	0	0	0	110.8	F19 L21 V26 S68	V16-F19 HydrophobicContact CB-CD1 4.44Å; V16-F19 HydrophobicContact CB-CE1 3.73Å; V16-F19 HydrophobicContact CB-CE2 4.13Å; V16-F19 HydrophobicContact CB-CZ 3.56Å; V16-F19 HydrophobicContact CG1-CE1 4.02Å; V16-F19 HydrophobicContact CG1-CE2 4.12Å; V16-F19 HydrophobicContact CG1-CZ 3.45Å; V16-F19 VanDerWaalsContact CG1-CZ 3.45Å; V16-F19 HydrophobicContact CG2-CE1 4.48Å; V16-F19 HydrophobicContact CG2-CE2 4.16Å; V16-F19 HydrophobicContact CG2-CZ 4.11Å; V16-L21 HydrophobicContact CB-CD2 4.45Å; V16-L21 HydrophobicContact CG1-CD2 4.03Å; V16-L21 HydrophobicContact CG2-CD1 4.2Å; V16-L21 HydrophobicContact CG2-CD2 3.61Å; V16-L21 HydrophobicContact CG2-CG 3.69Å; V16-V26 HydrophobicContact CG1-CG2 4.38Å; V16-S68 WeakPolarHBondContact CG2-O 3.06Å; V16-S68 PolarHBondContact N-O 3.12Å
17	S	88.9	Confident	90.7	Very high	76 Å²	76	49.5 Å²	49.5	53%	0.531	32%	0.32	S	S	.	.			trans	-135.5	150.3	172.6	62.5	0	0	0	0	109.3	F19	S17-F19 VanDerWaalsContact C-N 3.33Å; S17-F19 PolarHBondContact O-N 3.19Å
18	G	86.6	Confident	91.4	Very high	80 Å²	80	45 Å²	45	83%	0.825	29%	0.287	S	S	*	.	S	Bend	trans	81.4	1.6	-179.9	0	0	0	0	0	115.9
19	F	87.8	Confident	91.7	Very high	26 Å²	26	40.4 Å²	40.4	11%	0.114	27%	0.266	C	S	.	.	S	Bend	trans	-155.2	162.6	169.6	67.1	-85.4	0	0	0	112.3	V16 S17 L21 Y24 V26 R89 Y105	V16-F19 HydrophobicContact CB-CD1 4.44Å; V16-F19 HydrophobicContact CB-CE1 3.73Å; V16-F19 HydrophobicContact CB-CE2 4.13Å; V16-F19 HydrophobicContact CB-CZ 3.56Å; V16-F19 HydrophobicContact CG1-CE1 4.02Å; V16-F19 HydrophobicContact CG1-CE2 4.12Å; V16-F19 HydrophobicContact CG1-CZ 3.45Å; V16-F19 VanDerWaalsContact CG1-CZ 3.45Å; V16-F19 HydrophobicContact CG2-CE1 4.48Å; V16-F19 HydrophobicContact CG2-CE2 4.16Å; V16-F19 HydrophobicContact CG2-CZ 4.11Å; S17-F19 VanDerWaalsContact C-N 3.33Å; S17-F19 PolarHBondContact O-N 3.19Å; F19-L21 HydrophobicContact CE2-CD2 3.99Å; F19-Y24 HydrophobicContact CB-CD2 3.86Å; F19-Y24 HydrophobicContact CB-CE2 4.14Å; F19-Y24 AromaticContact CD2-CD2 3.95Å; F19-Y24 HydrophobicContact CD2-CD2 3.95Å; F19-Y24 HydrophobicContact CD2-CG 4.18Å; F19-Y24 HydrophobicContact CG-CD2 4.31Å; F19-V26 HydrophobicContact CE2-CG2 3.95Å; F19-V26 HydrophobicContact CZ-CG2 4.06Å; F19-R89 HydrophobicContact CD1-CG 4.48Å; F19-R89 HydrophobicContact CD2-CG 4.32Å; F19-R89 HydrophobicContact CE1-CB 4.01Å; F19-R89 HydrophobicContact CE1-CG 4.26Å; F19-R89 HydrophobicContact CE2-CB 4.4Å; F19-R89 HydrophobicContact CE2-CG 4.1Å; F19-R89 HydrophobicContact CG-CG 4.48Å; F19-R89 HydrophobicContact CZ-CB 3.87Å; F19-R89 HydrophobicContact CZ-CG 4.06Å; F19-Y105 HydrophobicContact CE1-CD1 4.25Å
20	S	91.1	Very high	92.1	Very high	51 Å²	51	37.8 Å²	37.8	36%	0.357	25%	0.246	S	C	.	.			trans	-95.7	134.5	176	-177.3	0	0	0	0	112.4	T22 S23 Y24	S20-T22 PolarHBondContact O-N 3.14Å; S20-T22 PolarHBondContact OG-N 3.17Å; S20-T22 PolarHBondContact OG-OG1 2.99Å; S20-S23 PolarHBondContact O-N 2.84Å; S20-Y24 PolarHBondContact O-N 2.93Å; S20-Y24 VanDerWaalsContact O-N 3.16Å
21	L	93.3	Very high	92.5	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-11.8	173	-65.3	-178.4	0	0	0	114	V16 F19 S23 V26 K63 N65 Q69 V70	V16-L21 HydrophobicContact CB-CD2 4.45Å; V16-L21 HydrophobicContact CG1-CD2 4.03Å; V16-L21 HydrophobicContact CG2-CD1 4.2Å; V16-L21 HydrophobicContact CG2-CD2 3.61Å; V16-L21 HydrophobicContact CG2-CG 3.69Å; F19-L21 HydrophobicContact CE2-CD2 3.99Å; L21-S23 VanDerWaalsContact C-N 3.34Å; L21-V26 HydrophobicContact CD2-CG2 3.62Å; L21-K63 HydrophobicContact CB-CD 4.45Å; L21-K63 HydrophobicContact CD1-CB 4.38Å; L21-K63 PolarHBondContact O-NZ 2.9Å; L21-N65 VanDerWaalsContact CB-OD1 3.25Å; L21-N65 WeakPolarHBondContact CB-OD1 3.2Å; L21-Q69 WeakPolarHBondContact CD1-O 3.21Å; L21-V70 HydrophobicContact CD1-CG2 3.85Å; L21-V70 HydrophobicContact CD2-CG2 3.62Å; L21-V70 HydrophobicContact CG-CG2 4.42Å
22	T	93.2	Very high	92.6	Very high	82 Å²	82	37 Å²	37	50%	0.503	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-15.4	171.3	58.7	0	0	0	0	112.8	S20 N65	S20-T22 PolarHBondContact O-N 3.14Å; S20-T22 PolarHBondContact OG-N 3.17Å; S20-T22 PolarHBondContact OG-OG1 2.99Å; T22-N65 HydrophobicContact CG2-CB 4.29Å; T22-N65 WeakPolarHBondContact CG2-ND2 3.37Å
23	S	90.5	Very high	92.7	Very high	76 Å²	76	41.4 Å²	41.4	53%	0.531	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-27	-177.4	-55	0	0	0	0	112.6	S20 L21	S20-S23 PolarHBondContact O-N 2.84Å; L21-S23 VanDerWaalsContact C-N 3.34Å
24	Y	89.8	Confident	92.6	Very high	80 Å²	80	42.6 Å²	42.6	31%	0.314	29%	0.289	S	S	.	.			trans	-127.5	148.2	-174.6	-61.9	-85	0	0	0	112.5	F19 S20 R89 N90	F19-Y24 HydrophobicContact CB-CD2 3.86Å; F19-Y24 HydrophobicContact CB-CE2 4.14Å; F19-Y24 AromaticContact CD2-CD2 3.95Å; F19-Y24 HydrophobicContact CD2-CD2 3.95Å; F19-Y24 HydrophobicContact CD2-CG 4.18Å; F19-Y24 HydrophobicContact CG-CD2 4.31Å; S20-Y24 PolarHBondContact O-N 2.93Å; S20-Y24 VanDerWaalsContact O-N 3.16Å; Y24-R89 HydrophobicContact CD1-CG 4.25Å; Y24-R89 HydrophobicContact CG-CG 4.25Å; Y24-N90 VanDerWaalsContact CD1-O 3.3Å; Y24-N90 WeakPolarHBondContact CD1-O 3.47Å
25	G	92.1	Very high	92.5	Very high	3 Å²	3	47.5 Å²	47.5	3%	0.031	31%	0.309	C	S	.	.			trans	-81	158.8	166.6	0	0	0	0	0	111.9	I43 N90	G25-I43 CarbonylContact C-O 3.55Å; G25-I43 WeakPolarHBondContact CA-O 3.3Å; G25-N90 WeakPolarHBondContact O-CB 3.25Å; G25-N90 PolarHBondContact O-N 2.86Å
26	V	94.5	Very high	92.4	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.012	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.7	176.1	179.4	0	0	0	0	109.5	V16 F19 L21 V42 I43 V70 C87 A88	V16-V26 HydrophobicContact CG1-CG2 4.38Å; F19-V26 HydrophobicContact CE2-CG2 3.95Å; F19-V26 HydrophobicContact CZ-CG2 4.06Å; L21-V26 HydrophobicContact CD2-CG2 3.62Å; V26-V42 WeakPolarHBondContact O-CA 3.4Å; V26-I43 HydrophobicContact CB-CG2 4.46Å; V26-I43 PolarHBondContact N-O 3.29Å; V26-I43 PolarHBondContact O-N 3.48Å; V26-V70 HydrophobicContact CB-CG1 4.4Å; V26-V70 HydrophobicContact CB-CG2 3.97Å; V26-V70 HydrophobicContact CG1-CB 4.38Å; V26-V70 HydrophobicContact CG1-CG1 4.3Å; V26-V70 HydrophobicContact CG1-CG2 4.17Å; V26-V70 HydrophobicContact CG2-CG2 3.89Å; V26-C87 HydrophobicContact CG1-CB 3.95Å; V26-A88 CarbonylContact C-O 3.58Å; V26-A88 WeakPolarHBondContact CA-O 3.47Å
27	H	94.8	Very high	92.5	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.028	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	148.8	178	-65.2	-107.5	0	0	0	110.4	W39 G41 V42 C87 A88 N90 F103	H27-W39 AromaticContact CG-NE1 3.88Å; H27-W39 AromaticContact ND1-CD1 3.79Å; H27-W39 AromaticContact ND1-CE2 3.99Å; H27-W39 AromaticContact ND1-NE1 3.08Å; H27-W39 PolarHBondContact ND1-NE1 2.86Å; H27-G41 CarbonylContact C-O 3.5Å; H27-G41 WeakPolarHBondContact CA-O 3.34Å; H27-V42 VanDerWaalsContact CE1-CG2 3.47Å; H27-V42 WeakPolarHBondContact CE1-CG2 3.44Å; H27-V42 WeakPolarHBondContact NE2-CG2 3.31Å; H27-C87 CarbonylContact O-C 3.6Å; H27-C87 VanDerWaalsContact O-CA 3.25Å; H27-C87 WeakPolarHBondContact O-CA 3.42Å; H27-A88 PolarHBondContact N-O 3.04Å; H27-A88 PolarHBondContact O-N 3.23Å; H27-N90 WeakPolarHBondContact NE2-CB 3.42Å; H27-N90 PolarHBondContact NE2-ND2 2.8Å; H27-F103 HydrophobicContact CB-CD1 4.36Å; H27-F103 HydrophobicContact CB-CE1 3.81Å; H27-F103 HydrophobicContact CB-CZ 4.15Å; H27-F103 AromaticContact CD2-CD1 3.91Å; H27-F103 AromaticContact CD2-CE1 3.33Å; H27-F103 WeakPolarHBondContact CD2-CE1 3.43Å; H27-F103 AromaticContact CE1-CE1 3.58Å; H27-F103 AromaticContact CG-CE1 3.22Å; H27-F103 AromaticContact CG-CZ 3.77Å; H27-F103 AromaticContact ND1-CE1 3.37Å; H27-F103 WeakPolarHBondContact ND1-CE1 3.45Å; H27-F103 AromaticContact ND1-CZ 3.59Å; H27-F103 AromaticContact NE2-CE1 3.57Å
28	W	95.4	Very high	92.7	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.3	167.8	-71.9	93.2	0	0	0	109.5	I12 C14 L40 G41 V70 F72 Y86 C87	I12-W28 HydrophobicContact CB-CH2 4.01Å; I12-W28 HydrophobicContact CB-CZ3 4.06Å; I12-W28 HydrophobicContact CG2-CH2 3.75Å; I12-W28 HydrophobicContact CG2-CZ3 3.74Å; C14-W28 HydrophobicContact CB-CH2 3.64Å; C14-W28 HydrophobicContact CB-CZ2 3.77Å; W28-L40 HydrophobicContact CB-CB 4.26Å; W28-L40 WeakPolarHBondContact O-CB 3.33Å; W28-L40 PolarHBondContact O-N 2.94Å; W28-G41 PolarHBondContact N-O 3.1Å; W28-G41 PolarHBondContact O-N 3.44Å; W28-V70 HydrophobicContact CZ2-CB 4.47Å; W28-V70 HydrophobicContact CZ2-CG1 4.15Å; W28-F72 HydrophobicContact CB-CD2 3.97Å; W28-F72 HydrophobicContact CB-CE2 4.31Å; W28-F72 HydrophobicContact CD2-CB 3.52Å; W28-F72 AromaticContact CD2-CD2 3.98Å; W28-F72 HydrophobicContact CD2-CD2 3.98Å; W28-F72 AromaticContact CD2-CG 3.93Å; W28-F72 HydrophobicContact CD2-CG 3.93Å; W28-F72 HydrophobicContact CE3-CB 3.85Å; W28-F72 HydrophobicContact CE3-CD2 4.44Å; W28-F72 HydrophobicContact CE3-CG 4.11Å; W28-F72 HydrophobicContact CG-CB 4.07Å; W28-F72 AromaticContact CG-CD2 3.74Å; W28-F72 HydrophobicContact CG-CD2 3.74Å; W28-F72 HydrophobicContact CG-CG 4.19Å; W28-F72 HydrophobicContact CH2-CB 3.81Å; W28-F72 HydrophobicContact CZ2-CB 3.5Å; W28-F72 VanDerWaalsContact CZ2-CB 3.5Å; W28-F72 HydrophobicContact CZ3-CB 3.99Å; W28-Y86 WeakPolarHBondContact CA-O 3.33Å; W28-C87 HydrophobicContact CD2-CB 4.41Å; W28-C87 HydrophobicContact CE3-CB 4.26Å; W28-C87 HydrophobicContact CH2-CB 4.18Å; W28-C87 HydrophobicContact CZ2-CB 4.29Å; W28-C87 HydrophobicContact CZ3-CB 4.15Å
29	V	94.6	Very high	93.1	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.018	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143	-177.1	-177.3	0	0	0	0	107.6	L37 E38 Y86 W106	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.83Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; V29-E38 CarbonylContact C-O 3.44Å; V29-E38 WeakPolarHBondContact CA-O 3.44Å; V29-E38 WeakPolarHBondContact CG1-O 3.45Å; V29-Y86 PolarHBondContact N-O 3.28Å; V29-Y86 PolarHBondContact O-N 2.85Å; V29-W106 HydrophobicContact CB-CH2 4.13Å; V29-W106 HydrophobicContact CB-CZ3 3.86Å; V29-W106 HydrophobicContact CG1-CH2 4.04Å; V29-W106 HydrophobicContact CG1-CZ3 4.02Å; V29-W106 HydrophobicContact CG2-CH2 3.9Å; V29-W106 HydrophobicContact CG2-CZ3 4.02Å
30	R	94.8	Very high	93.4	Very high	13 Å²	13	47.5 Å²	47.5	5%	0.049	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	157.8	171	70.8	175.4	-171.1	174.2	13.6	112	E38 L40 F55 D81 A83 I84 Y85	R30-E38 HydrophobicContact CG-CB 3.99Å; R30-E38 IonicContact CZ-OE2 2.97Å; R30-E38 PolarHBondContact N-O 2.88Å; R30-E38 IonicContact NE-OE2 3.84Å; R30-E38 PolarHBondContact NE-OE2 3Å; R30-E38 IonicContact NH2-OE2 2.93Å; R30-E38 PolarHBondContact NH2-OE2 3.08Å; R30-E38 PolarHBondContact O-N 3.03Å; R30-L40 HydrophobicContact CB-CD1 3.98Å; R30-L40 HydrophobicContact CB-CG 4.47Å; R30-L40 HydrophobicContact CG-CD1 4.1Å; R30-L40 HydrophobicContact CG-CD2 3.98Å; R30-L40 HydrophobicContact CG-CG 4.16Å; R30-F55 VanDerWaalsContact CZ-CZ 3.45Å; R30-D81 IonicContact NH1-OD1 3.32Å; R30-D81 PolarHBondContact NH1-OD1 3.28Å; R30-A83 HydrophobicContact CB-CB 3.93Å; R30-A83 HydrophobicContact CG-CB 4.35Å; R30-I84 CarbonylContact C-O 3.53Å; R30-I84 WeakPolarHBondContact CA-O 3.32Å; R30-Y85 HydrophobicContact CB-CD1 4.01Å; R30-Y85 HydrophobicContact CB-CE1 4.06Å; R30-Y85 HydrophobicContact CB-CG 4.32Å
31	Q	95.6	Very high	93.6	Very high	72 Å²	72	45 Å²	45	34%	0.336	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	106.8	171.7	-168	176.1	21.5	0	0	109.5	K35 L37 A83 I84 Y86	Q31-K35 WeakPolarHBondContact CG-O 3.48Å; Q31-K35 PolarHBondContact NE2-O 3.37Å; Q31-L37 HydrophobicContact CB-CD2 4.12Å; Q31-A83 WeakPolarHBondContact O-CA 3.13Å; Q31-A83 WeakPolarHBondContact O-CB 3.48Å; Q31-I84 PolarHBondContact N-O 2.8Å; Q31-I84 PolarHBondContact O-N 2.8Å; Q31-Y86 HydrophobicContact CB-CE2 3.96Å
32	S	94.8	Very high	93.7	Very high	9 Å²	9	45 Å²	45	6%	0.063	27%	0.267	C	S	.	.			trans	-74.7	154.3	172.3	-61.6	0	0	0	0	110.8	G34 K35 T82	S32-G34 PolarHBondContact O-N 2.92Å; S32-K35 PolarHBondContact O-N 3.12Å; S32-T82 PolarHBondContact OG-O 3.46Å
33	P	93.1	Very high	93.8	Very high	102 Å²	102	41.4 Å²	41.4	66%	0.662	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	126.5	176.1	-26.1	34.7	0	0	0	112.1	K35 T82	P33-K35 PolarHBondContact O-N 3.12Å; P33-T82 WeakPolarHBondContact CD-O 3.25Å
34	G	93.4	Very high	94	Very high	93 Å²	93	40 Å²	40	96%	0.959	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	6.1	-180	0	0	0	0	0	115.6	S32	S32-G34 PolarHBondContact O-N 2.92Å
35	K	92.8	Very high	94.2	Very high	115 Å²	115	38.7 Å²	38.7	50%	0.5	23%	0.231	S	C	.	.			trans	-112.3	163.5	177.2	-62.1	-166.6	-177.6	175.5	0	112.5	Q31 S32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.48Å; Q31-K35 PolarHBondContact NE2-O 3.37Å; S32-K35 PolarHBondContact O-N 3.12Å; P33-K35 PolarHBondContact O-N 3.12Å
36	G	92.6	Very high	94.2	Very high	50 Å²	50	42.1 Å²	42.1	52%	0.515	27%	0.266	S	S	.	.			trans	-72.7	-177	169.9	0	0	0	0	0	112.8
37	L	92.9	Very high	94.2	Very high	101 Å²	101	43.7 Å²	43.7	53%	0.529	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	128.1	174.5	-67.6	170.2	0	0	0	110.5	V29 Q31 Y86 W106	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.83Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; Q31-L37 HydrophobicContact CB-CD2 4.12Å; L37-Y86 HydrophobicContact CD2-CD2 4.43Å; L37-Y86 HydrophobicContact CD2-CE2 4.38Å; L37-W106 HydrophobicContact CD1-CH2 3.86Å; L37-W106 HydrophobicContact CD1-CZ2 4.4Å; L37-W106 HydrophobicContact CD1-CZ3 4.43Å; L37-W106 HydrophobicContact CD2-CH2 4.49Å; L37-W106 HydrophobicContact CD2-CZ3 4.35Å
38	E	93.6	Very high	94.2	Very high	50 Å²	50	46.8 Å²	46.8	23%	0.234	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118.4	177.4	-66.6	179.4	178	0	0	109.6	V29 R30	V29-E38 CarbonylContact C-O 3.44Å; V29-E38 WeakPolarHBondContact CA-O 3.44Å; V29-E38 WeakPolarHBondContact CG1-O 3.45Å; R30-E38 HydrophobicContact CG-CB 3.99Å; R30-E38 IonicContact CZ-OE2 2.97Å; R30-E38 PolarHBondContact N-O 2.88Å; R30-E38 IonicContact NE-OE2 3.84Å; R30-E38 PolarHBondContact NE-OE2 3Å; R30-E38 IonicContact NH2-OE2 2.93Å; R30-E38 PolarHBondContact NH2-OE2 3.08Å; R30-E38 PolarHBondContact O-N 3.03Å
39	W	93.8	Very high	94.3	Very high	84 Å²	84	49 Å²	49	32%	0.318	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	133.1	175.4	-180	75.2	0	0	0	111.1	H27 G41 V42 D50 N52	H27-W39 AromaticContact CG-NE1 3.88Å; H27-W39 AromaticContact ND1-CD1 3.79Å; H27-W39 AromaticContact ND1-CE2 3.99Å; H27-W39 AromaticContact ND1-NE1 3.08Å; H27-W39 PolarHBondContact ND1-NE1 2.86Å; W39-G41 PolarHBondContact NE1-O 2.97Å; W39-V42 HydrophobicContact CZ2-CB 4.06Å; W39-V42 HydrophobicContact CZ2-CG1 3.89Å; W39-D50 HydrophobicContact CH2-CB 4.13Å; W39-N52 HydrophobicContact CE3-CB 3.9Å; W39-N52 HydrophobicContact CZ3-CB 4.01Å; W39-N52 WeakPolarHBondContact O-CB 3.34Å; W39-N52 PolarHBondContact O-ND2 2.86Å
40	L	94.8	Very high	94.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-38.3	-176.8	-63.5	177.7	0	0	0	113	W28 R30 N52 F55 L59 F72 Y85	W28-L40 HydrophobicContact CB-CB 4.26Å; W28-L40 WeakPolarHBondContact O-CB 3.33Å; W28-L40 PolarHBondContact O-N 2.94Å; R30-L40 HydrophobicContact CB-CD1 3.98Å; R30-L40 HydrophobicContact CB-CG 4.47Å; R30-L40 HydrophobicContact CG-CD1 4.1Å; R30-L40 HydrophobicContact CG-CD2 3.98Å; R30-L40 HydrophobicContact CG-CG 4.16Å; L40-N52 PolarHBondContact O-N 2.7Å; L40-F55 HydrophobicContact CD2-CD1 4.3Å; L40-F55 HydrophobicContact CD2-CD2 3.75Å; L40-F55 HydrophobicContact CD2-CE1 4.39Å; L40-F55 HydrophobicContact CD2-CE2 3.84Å; L40-F55 HydrophobicContact CD2-CG 4Å; L40-F55 HydrophobicContact CD2-CZ 4.18Å; L40-L59 HydrophobicContact CB-CD1 4.07Å; L40-F72 HydrophobicContact CB-CE2 4.28Å; L40-F72 HydrophobicContact CD1-CE2 3.81Å; L40-F72 HydrophobicContact CD1-CZ 3.68Å; L40-Y85 HydrophobicContact CD1-CD1 3.81Å; L40-Y85 HydrophobicContact CD1-CE1 3.67Å
41	G	94.9	Very high	94.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.3	177.6	-176.2	0	0	0	0	0	112.6	H27 W28 W39 D50	H27-G41 CarbonylContact C-O 3.5Å; H27-G41 WeakPolarHBondContact CA-O 3.34Å; W28-G41 PolarHBondContact N-O 3.1Å; W28-G41 PolarHBondContact O-N 3.44Å; W39-G41 PolarHBondContact NE1-O 2.97Å; G41-D50 CarbonylContact C-O 3.55Å; G41-D50 WeakPolarHBondContact CA-O 3.48Å
42	V	95.1	Very high	94.2	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	147.6	178.4	63.8	0	0	0	0	109.8	V26 H27 W39 W44 T49 D50	V26-V42 WeakPolarHBondContact O-CA 3.4Å; H27-V42 VanDerWaalsContact CE1-CG2 3.47Å; H27-V42 WeakPolarHBondContact CE1-CG2 3.44Å; H27-V42 WeakPolarHBondContact NE2-CG2 3.31Å; W39-V42 HydrophobicContact CZ2-CB 4.06Å; W39-V42 HydrophobicContact CZ2-CG1 3.89Å; V42-W44 HydrophobicContact CG1-CD2 4.24Å; V42-W44 HydrophobicContact CG1-CH2 4.37Å; V42-W44 HydrophobicContact CG1-CZ2 3.64Å; V42-W44 HydrophobicContact CG2-CD2 4.13Å; V42-W44 HydrophobicContact CG2-CE3 4.17Å; V42-W44 HydrophobicContact CG2-CH2 4.39Å; V42-W44 HydrophobicContact CG2-CZ2 4.36Å; V42-W44 HydrophobicContact CG2-CZ3 4.3Å; V42-T49 WeakPolarHBondContact O-CA 3.45Å; V42-D50 HydrophobicContact CG1-CB 3.89Å; V42-D50 PolarHBondContact N-O 2.9Å; V42-D50 PolarHBondContact O-N 2.94Å; V42-D50 VanDerWaalsContact O-N 3.11Å
43	I	96.3	Very high	94.1	Very high	8 Å²	8	57 Å²	57	4%	0.041	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.2	158.7	-172.2	162.1	0	0	0	109.2	G25 V26 S48 T49 I61 K63 V70	G25-I43 CarbonylContact C-O 3.55Å; G25-I43 WeakPolarHBondContact CA-O 3.3Å; V26-I43 HydrophobicContact CB-CG2 4.46Å; V26-I43 PolarHBondContact N-O 3.29Å; V26-I43 PolarHBondContact O-N 3.48Å; I43-S48 WeakPolarHBondContact CA-O 3.5Å; I43-T49 HydrophobicContact CB-CG2 4.05Å; I43-T49 HydrophobicContact CD1-CG2 4.08Å; I43-T49 HydrophobicContact CG1-CG2 3.91Å; I43-I61 HydrophobicContact CB-CG2 3.68Å; I43-I61 HydrophobicContact CG2-CG2 3.68Å; I43-K63 HydrophobicContact CD1-CB 4.01Å; I43-K63 HydrophobicContact CD1-CD 3.9Å; I43-K63 HydrophobicContact CD1-CG 3.7Å; I43-K63 HydrophobicContact CG1-CD 4.09Å; I43-K63 HydrophobicContact CG1-CG 4.45Å; I43-K63 HydrophobicContact CG2-CD 4.46Å; I43-V70 HydrophobicContact CG2-CG1 3.74Å
44	W	95.1	Very high	93.9	Very high	47 Å²	47	55.6 Å²	55.6	18%	0.178	37%	0.369	C	S	.	.			trans	-76.7	167	-178.2	-61.3	109	0	0	0	111.8	V42 G46 G47 S48 D50 K63 Y101	V42-W44 HydrophobicContact CG1-CD2 4.24Å; V42-W44 HydrophobicContact CG1-CH2 4.37Å; V42-W44 HydrophobicContact CG1-CZ2 3.64Å; V42-W44 HydrophobicContact CG2-CD2 4.13Å; V42-W44 HydrophobicContact CG2-CE3 4.17Å; V42-W44 HydrophobicContact CG2-CH2 4.39Å; V42-W44 HydrophobicContact CG2-CZ2 4.36Å; V42-W44 HydrophobicContact CG2-CZ3 4.3Å; W44-G46 PolarHBondContact O-N 2.93Å; W44-G47 PolarHBondContact O-N 3.24Å; W44-S48 VanDerWaalsContact CD1-OG 3.27Å; W44-S48 PolarHBondContact N-O 3.06Å; W44-D50 PolarHBondContact NE1-OD2 2.93Å; W44-K63 PolarHBondContact O-NZ 3.17Å; W44-Y101 HydrophobicContact CH2-CD1 4.23Å; W44-Y101 AromaticContact CH2-CE1 3.77Å; W44-Y101 HydrophobicContact CH2-CE1 3.77Å; W44-Y101 HydrophobicContact CH2-CE2 4.19Å; W44-Y101 AromaticContact CH2-CZ 3.75Å; W44-Y101 HydrophobicContact CZ3-CD1 4.48Å; W44-Y101 HydrophobicContact CZ3-CE1 4.13Å
45	S	92.9	Very high	93.6	Very high	51 Å²	51	52.1 Å²	52.1	36%	0.357	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-36.4	175.8	56	0	0	0	0	112.3	G47 K63	S45-G47 VanDerWaalsContact C-N 3.26Å; S45-G47 PolarHBondContact O-N 3.1Å; S45-K63 VanDerWaalsContact C-NZ 3.28Å; S45-K63 PolarHBondContact O-NZ 2.92Å
46	G	93.1	Very high	93.5	Very high	75 Å²	75	51 Å²	51	77%	0.773	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-8.9	173.4	0	0	0	0	0	115.4	W44	W44-G46 PolarHBondContact O-N 2.93Å
47	G	94.4	Very high	93.4	Very high	35 Å²	35	53.9 Å²	53.9	36%	0.361	34%	0.339	S	S	.	.	S	Bend	trans	91.4	-5	178.3	0	0	0	0	0	115.5	W44 S45	W44-G47 PolarHBondContact O-N 3.24Å; S45-G47 VanDerWaalsContact C-N 3.26Å; S45-G47 PolarHBondContact O-N 3.1Å
48	S	95.4	Very high	93.5	Very high	72 Å²	72	50.4 Å²	50.4	50%	0.503	32%	0.318	S	S	.	.			trans	-64.2	153.9	167.6	50.9	0	0	0	0	111	I43 W44	I43-S48 WeakPolarHBondContact CA-O 3.5Å; W44-S48 VanDerWaalsContact CD1-OG 3.27Å; W44-S48 PolarHBondContact N-O 3.06Å
49	T	96.3	Very high	93.4	Very high	47 Å²	47	48.7 Å²	48.7	29%	0.288	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.9	-177.4	57	0	0	0	0	111.4	V42 I43 Y51 I61	V42-T49 WeakPolarHBondContact O-CA 3.45Å; I43-T49 HydrophobicContact CB-CG2 4.05Å; I43-T49 HydrophobicContact CD1-CG2 4.08Å; I43-T49 HydrophobicContact CG1-CG2 3.91Å; T49-Y51 VanDerWaalsContact OG1-CE2 3.29Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.48Å; T49-Y51 PolarHBondContact OG1-OH 3.28Å; T49-I61 HydrophobicContact CG2-CB 4.43Å
50	D	94.8	Very high	93.5	Very high	82 Å²	82	47.3 Å²	47.3	44%	0.439	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	148.7	166.4	-59.4	-56.1	0	0	0	109.8	W39 G41 V42 W44	W39-D50 HydrophobicContact CH2-CB 4.13Å; G41-D50 CarbonylContact C-O 3.55Å; G41-D50 WeakPolarHBondContact CA-O 3.48Å; V42-D50 HydrophobicContact CG1-CB 3.89Å; V42-D50 PolarHBondContact N-O 2.9Å; V42-D50 PolarHBondContact O-N 2.94Å; V42-D50 VanDerWaalsContact O-N 3.11Å; W44-D50 PolarHBondContact NE1-OD2 2.93Å
51	Y	94.8	Very high	93.6	Very high	53 Å²	53	47.7 Å²	47.7	21%	0.208	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	151.5	-176.8	-59.5	-84.6	0	0	0	110.6	T49 A53 I56 L59 I61	T49-Y51 VanDerWaalsContact OG1-CE2 3.29Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.48Å; T49-Y51 PolarHBondContact OG1-OH 3.28Å; Y51-A53 PolarHBondContact O-N 3.43Å; Y51-I56 HydrophobicContact CD2-CD1 4.24Å; Y51-I56 HydrophobicContact CD2-CG1 4.02Å; Y51-I56 HydrophobicContact CG-CG1 4.07Å; Y51-L59 HydrophobicContact CD1-CB 3.78Å; Y51-L59 HydrophobicContact CD1-CD1 4.28Å; Y51-L59 HydrophobicContact CE1-CB 3.94Å; Y51-I61 HydrophobicContact CD1-CD1 4.14Å; Y51-I61 HydrophobicContact CE1-CB 4.34Å; Y51-I61 HydrophobicContact CE1-CD1 3.78Å; Y51-I61 HydrophobicContact CE1-CG1 3.87Å; Y51-I61 PolarHBondContact OH-N 2.82Å
52	N	93.4	Very high	93.7	Very high	47 Å²	47	50.3 Å²	50.3	25%	0.251	33%	0.334	S	S	.	.			trans	-68.2	128.1	165.1	-178	-32.4	0	0	0	109.4	W39 L40 A54 F55 I56	W39-N52 HydrophobicContact CE3-CB 3.9Å; W39-N52 HydrophobicContact CZ3-CB 4.01Å; W39-N52 WeakPolarHBondContact O-CB 3.34Å; W39-N52 PolarHBondContact O-ND2 2.86Å; L40-N52 PolarHBondContact O-N 2.7Å; N52-A54 PolarHBondContact O-N 2.95Å; N52-A54 VanDerWaalsContact O-N 3.1Å; N52-A54 WeakPolarHBondContact OD1-CB 3.45Å; N52-A54 PolarHBondContact OD1-N 3.05Å; N52-F55 HydrophobicContact CB-CD2 3.95Å; N52-F55 PolarHBondContact O-N 2.88Å; N52-I56 PolarHBondContact O-N 3.27Å
53	A	92.3	Very high	93.8	Very high	85 Å²	85	52.3 Å²	52.3	70%	0.702	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-30.4	-177	0	0	0	0	0	113.4	Y51 F55 I56	Y51-A53 PolarHBondContact O-N 3.43Å; A53-F55 PolarHBondContact O-N 3.03Å; A53-I56 WeakPolarHBondContact O-CG2 3.05Å
54	A	89.6	Confident	93.8	Very high	72 Å²	72	53.8 Å²	53.8	60%	0.595	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.3	177.7	0	0	0	0	0	113.6	N52	N52-A54 PolarHBondContact O-N 2.95Å; N52-A54 VanDerWaalsContact O-N 3.1Å; N52-A54 WeakPolarHBondContact OD1-CB 3.45Å; N52-A54 PolarHBondContact OD1-N 3.05Å
55	F	87.1	Confident	93.8	Very high	20 Å²	20	54.8 Å²	54.8	9%	0.088	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-10.2	-173.4	-56	-82	0	0	0	113.9	R30 L40 N52 A53 S57 R58 L59 M74	R30-F55 VanDerWaalsContact CZ-CZ 3.45Å; L40-F55 HydrophobicContact CD2-CD1 4.3Å; L40-F55 HydrophobicContact CD2-CD2 3.75Å; L40-F55 HydrophobicContact CD2-CE1 4.39Å; L40-F55 HydrophobicContact CD2-CE2 3.84Å; L40-F55 HydrophobicContact CD2-CG 4Å; L40-F55 HydrophobicContact CD2-CZ 4.18Å; N52-F55 HydrophobicContact CB-CD2 3.95Å; N52-F55 PolarHBondContact O-N 2.88Å; A53-F55 PolarHBondContact O-N 3.03Å; F55-S57 PolarHBondContact O-N 3.36Å; F55-R58 PolarHBondContact O-N 3.26Å; F55-L59 HydrophobicContact CB-CD1 3.39Å; F55-L59 HydrophobicContact CB-CG 3.76Å; F55-L59 HydrophobicContact CG-CD1 4.36Å; F55-L59 WeakPolarHBondContact O-CG 3.33Å; F55-L59 PolarHBondContact O-N 3.04Å; F55-M74 HydrophobicContact CD1-CE 3.96Å
56	I	89.4	Confident	94	Very high	92 Å²	92	57.5 Å²	57.5	47%	0.472	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-33.7	-169.8	-167.3	166.6	0	0	0	114.4	Y51 N52 A53 R58	Y51-I56 HydrophobicContact CD2-CD1 4.24Å; Y51-I56 HydrophobicContact CD2-CG1 4.02Å; Y51-I56 HydrophobicContact CG-CG1 4.07Å; N52-I56 PolarHBondContact O-N 3.27Å; A53-I56 WeakPolarHBondContact O-CG2 3.05Å; I56-R58 PolarHBondContact O-N 2.92Å
57	S	91.9	Very high	94.1	Very high	110 Å²	110	59.7 Å²	59.7	77%	0.769	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-16.4	-179.6	59.3	0	0	0	0	114.1	F55	F55-S57 PolarHBondContact O-N 3.36Å
58	R	93.7	Very high	94.1	Very high	27 Å²	27	60.1 Å²	60.1	10%	0.102	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-9.8	-173.7	-59.7	-169.1	-60.5	125.8	-1.3	113.5	F55 I56 M74 N75 S76 D81	F55-R58 PolarHBondContact O-N 3.26Å; I56-R58 PolarHBondContact O-N 2.92Å; R58-M74 CarbonylContact O-C 3.55Å; R58-M74 WeakPolarHBondContact O-CA 3.29Å; R58-N75 WeakPolarHBondContact CB-O 3.25Å; R58-N75 PolarHBondContact O-N 2.97Å; R58-S76 PolarHBondContact NH1-O 2.99Å; R58-D81 IonicContact CZ-OD1 3.77Å; R58-D81 IonicContact CZ-OD2 2.84Å; R58-D81 IonicContact NH1-OD1 3.28Å; R58-D81 IonicContact NH1-OD2 2.7Å; R58-D81 PolarHBondContact NH1-OD2 2.76Å; R58-D81 IonicContact NH2-OD1 3.45Å; R58-D81 PolarHBondContact NH2-OD1 2.9Å; R58-D81 IonicContact NH2-OD2 2.9Å; R58-D81 PolarHBondContact NH2-OD2 2.87Å
59	L	93.4	Very high	94.2	Very high	15 Å²	15	59 Å²	59	8%	0.079	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	147.5	-172.8	-68.6	-173.7	0	0	0	113.5	L40 Y51 F55 F72 K73 M74	L40-L59 HydrophobicContact CB-CD1 4.07Å; Y51-L59 HydrophobicContact CD1-CB 3.78Å; Y51-L59 HydrophobicContact CD1-CD1 4.28Å; Y51-L59 HydrophobicContact CE1-CB 3.94Å; F55-L59 HydrophobicContact CB-CD1 3.39Å; F55-L59 HydrophobicContact CB-CG 3.76Å; F55-L59 HydrophobicContact CG-CD1 4.36Å; F55-L59 WeakPolarHBondContact O-CG 3.33Å; F55-L59 PolarHBondContact O-N 3.04Å; L59-F72 HydrophobicContact CD1-CE2 4.06Å; L59-F72 HydrophobicContact CD2-CD2 4.42Å; L59-F72 HydrophobicContact CD2-CE1 4.27Å; L59-F72 HydrophobicContact CD2-CE2 3.37Å; L59-F72 HydrophobicContact CD2-CZ 3.27Å; L59-F72 HydrophobicContact CG-CE2 4.27Å; L59-K73 CarbonylContact C-O 3.53Å; L59-K73 WeakPolarHBondContact CA-O 3.37Å; L59-M74 HydrophobicContact CD2-CB 3.79Å; L59-M74 HydrophobicContact CD2-CE 3.46Å; L59-M74 VanDerWaalsContact CD2-CE 3.46Å; L59-M74 HydrophobicContact CD2-CG 3.84Å; L59-M74 HydrophobicContact CD2-SD 4.41Å; L59-M74 HydrophobicContact CG-CE 4.35Å
60	S	95.6	Very high	94.2	Very high	54 Å²	54	56.8 Å²	56.8	38%	0.378	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	129.9	165.4	177.9	0	0	0	0	109.2	K73	S60-K73 PolarHBondContact N-O 2.75Å; S60-K73 PolarHBondContact O-N 3.32Å
61	I	97	Very high	94.3	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.041	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.9	174.8	-58.5	161.7	0	0	0	108.2	I43 T49 Y51 V70 F71 F72	I43-I61 HydrophobicContact CB-CG2 3.68Å; I43-I61 HydrophobicContact CG2-CG2 3.68Å; T49-I61 HydrophobicContact CG2-CB 4.43Å; Y51-I61 HydrophobicContact CD1-CD1 4.14Å; Y51-I61 HydrophobicContact CE1-CB 4.34Å; Y51-I61 HydrophobicContact CE1-CD1 3.78Å; Y51-I61 HydrophobicContact CE1-CG1 3.87Å; Y51-I61 PolarHBondContact OH-N 2.82Å; I61-V70 HydrophobicContact CG2-CG1 4.07Å; I61-F71 WeakPolarHBondContact CA-O 3.29Å; I61-F72 HydrophobicContact CG1-CD2 4.09Å
62	S	97.1	Very high	94.3	Very high	56 Å²	56	52.6 Å²	52.6	39%	0.392	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	169.8	174.8	68	0	0	0	0	110.8	V70 F71	S62-V70 CarbonylContact O-C 3.39Å; S62-V70 WeakPolarHBondContact O-CA 3.38Å; S62-V70 WeakPolarHBondContact O-CG1 3.31Å; S62-F71 PolarHBondContact N-O 3.19Å; S62-F71 PolarHBondContact O-N 2.84Å
63	K	96.7	Very high	94.4	Very high	43 Å²	43	55 Å²	55	19%	0.187	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	151.8	177.8	70.5	-176.7	-173.3	177.9	0	112.5	L21 I43 W44 S45 N65 Q69 V70	L21-K63 HydrophobicContact CB-CD 4.45Å; L21-K63 HydrophobicContact CD1-CB 4.38Å; L21-K63 PolarHBondContact O-NZ 2.9Å; I43-K63 HydrophobicContact CD1-CB 4.01Å; I43-K63 HydrophobicContact CD1-CD 3.9Å; I43-K63 HydrophobicContact CD1-CG 3.7Å; I43-K63 HydrophobicContact CG1-CD 4.09Å; I43-K63 HydrophobicContact CG1-CG 4.45Å; I43-K63 HydrophobicContact CG2-CD 4.46Å; W44-K63 PolarHBondContact O-NZ 3.17Å; S45-K63 VanDerWaalsContact C-NZ 3.28Å; S45-K63 PolarHBondContact O-NZ 2.92Å; K63-N65 WeakPolarHBondContact CD-OD1 3.42Å; K63-N65 WeakPolarHBondContact CE-OD1 3.45Å; K63-Q69 CarbonylContact C-O 3.49Å; K63-Q69 VanDerWaalsContact CA-O 3.31Å; K63-Q69 WeakPolarHBondContact CA-O 3.41Å; K63-V70 HydrophobicContact CB-CG2 4.13Å
64	D	96.8	Very high	94.4	Very high	38 Å²	38	50.9 Å²	50.9	20%	0.203	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	100.7	170.4	-175.9	-16.9	0	0	0	108.2	S66 K67 S68 Q69 F71	D64-S66 PolarHBondContact O-N 2.9Å; D64-S66 WeakPolarHBondContact OD1-CB 3.44Å; D64-S66 PolarHBondContact OD1-N 2.93Å; D64-S66 PolarHBondContact OD1-OG 3.49Å; D64-K67 HydrophobicContact CB-CB 4.37Å; D64-K67 PolarHBondContact O-N 2.93Å; D64-K67 PolarHBondContact OD1-N 3.5Å; D64-K67 VanDerWaalsContact OD2-CD 3.24Å; D64-K67 WeakPolarHBondContact OD2-CD 3.37Å; D64-K67 VanDerWaalsContact OD2-CE 3.29Å; D64-K67 WeakPolarHBondContact OD2-CE 3.47Å; D64-K67 WeakPolarHBondContact OD2-CG 3.42Å; D64-K67 IonicContact OD2-NZ 2.84Å; D64-K67 PolarHBondContact OD2-NZ 2.84Å; D64-S68 PolarHBondContact O-N 3.11Å; D64-S68 VanDerWaalsContact O-N 3.08Å; D64-Q69 PolarHBondContact N-O 2.71Å; D64-Q69 PolarHBondContact O-N 3.33Å; D64-F71 HydrophobicContact CB-CE2 3.84Å; D64-F71 HydrophobicContact CB-CZ 4.43Å
65	N	95.5	Very high	94.6	Very high	69 Å²	69	50 Å²	50	37%	0.369	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-62.7	-33	-179	-65.1	-16.5	0	0	0	111.8	L21 T22 K63 K67 S68	L21-N65 VanDerWaalsContact CB-OD1 3.25Å; L21-N65 WeakPolarHBondContact CB-OD1 3.2Å; T22-N65 HydrophobicContact CG2-CB 4.29Å; T22-N65 WeakPolarHBondContact CG2-ND2 3.37Å; K63-N65 WeakPolarHBondContact CD-OD1 3.42Å; K63-N65 WeakPolarHBondContact CE-OD1 3.45Å; N65-K67 PolarHBondContact O-N 2.93Å; N65-S68 PolarHBondContact O-N 2.97Å
66	S	95	Very high	94.8	Very high	107 Å²	107	52.3 Å²	52.3	75%	0.748	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-67.1	-28.8	-178.4	74.9	0	0	0	0	112.3	D64	D64-S66 PolarHBondContact O-N 2.9Å; D64-S66 WeakPolarHBondContact OD1-CB 3.44Å; D64-S66 PolarHBondContact OD1-N 2.93Å; D64-S66 PolarHBondContact OD1-OG 3.49Å
67	K	95.9	Very high	94.8	Very high	122 Å²	122	48 Å²	48	53%	0.53	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-99.8	-2.4	177.8	-63.1	-177.6	-168.4	130.5	0	113.5	D64 N65 Q69	D64-K67 HydrophobicContact CB-CB 4.37Å; D64-K67 PolarHBondContact O-N 2.93Å; D64-K67 PolarHBondContact OD1-N 3.5Å; D64-K67 VanDerWaalsContact OD2-CD 3.24Å; D64-K67 WeakPolarHBondContact OD2-CD 3.37Å; D64-K67 VanDerWaalsContact OD2-CE 3.29Å; D64-K67 WeakPolarHBondContact OD2-CE 3.47Å; D64-K67 WeakPolarHBondContact OD2-CG 3.42Å; D64-K67 IonicContact OD2-NZ 2.84Å; D64-K67 PolarHBondContact OD2-NZ 2.84Å; N65-K67 PolarHBondContact O-N 2.93Å; K67-Q69 HydrophobicContact CB-CB 4.23Å; K67-Q69 HydrophobicContact CB-CG 4.1Å; K67-Q69 PolarHBondContact O-N 2.86Å
68	S	95.3	Very high	94.8	Very high	44 Å²	44	47.4 Å²	47.4	31%	0.308	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	44.3	-170.6	-59.1	0	0	0	0	111.8	T15 V16 D64 N65	T15-S68 WeakPolarHBondContact CA-O 3.41Å; V16-S68 WeakPolarHBondContact CG2-O 3.06Å; V16-S68 PolarHBondContact N-O 3.12Å; D64-S68 PolarHBondContact O-N 3.11Å; D64-S68 VanDerWaalsContact O-N 3.08Å; N65-S68 PolarHBondContact O-N 2.97Å
69	Q	96.9	Very high	94.6	Very high	48 Å²	48	49 Å²	49	22%	0.224	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140.2	-176.8	-77.5	176.4	-13.5	0	0	112.2	T13 C14 T15 L21 K63 D64 K67 F71	T13-Q69 HydrophobicContact CG2-CB 4.18Å; T13-Q69 HydrophobicContact CG2-CG 3.92Å; C14-Q69 CarbonylContact O-C 3.46Å; C14-Q69 WeakPolarHBondContact O-CA 3.41Å; T15-Q69 HydrophobicContact CG2-CG 4.34Å; T15-Q69 PolarHBondContact OG1-NE2 3.4Å; L21-Q69 WeakPolarHBondContact CD1-O 3.21Å; K63-Q69 CarbonylContact C-O 3.49Å; K63-Q69 VanDerWaalsContact CA-O 3.31Å; K63-Q69 WeakPolarHBondContact CA-O 3.41Å; D64-Q69 PolarHBondContact N-O 2.71Å; D64-Q69 PolarHBondContact O-N 3.33Å; K67-Q69 HydrophobicContact CB-CB 4.23Å; K67-Q69 HydrophobicContact CB-CG 4.1Å; K67-Q69 PolarHBondContact O-N 2.86Å; Q69-F71 HydrophobicContact CB-CE1 4.27Å; Q69-F71 HydrophobicContact CB-CE2 3.98Å; Q69-F71 HydrophobicContact CB-CZ 3.66Å
70	V	96.8	Very high	94.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.9	170.3	-176.8	0	0	0	0	108	C14 L21 V26 W28 I43 I61 S62 K63	C14-V70 HydrophobicContact CB-CB 4.47Å; C14-V70 PolarHBondContact N-O 3.13Å; C14-V70 PolarHBondContact O-N 3.11Å; L21-V70 HydrophobicContact CD1-CG2 3.85Å; L21-V70 HydrophobicContact CD2-CG2 3.62Å; L21-V70 HydrophobicContact CG-CG2 4.42Å; V26-V70 HydrophobicContact CB-CG1 4.4Å; V26-V70 HydrophobicContact CB-CG2 3.97Å; V26-V70 HydrophobicContact CG1-CB 4.38Å; V26-V70 HydrophobicContact CG1-CG1 4.3Å; V26-V70 HydrophobicContact CG1-CG2 4.17Å; V26-V70 HydrophobicContact CG2-CG2 3.89Å; W28-V70 HydrophobicContact CZ2-CB 4.47Å; W28-V70 HydrophobicContact CZ2-CG1 4.15Å; I43-V70 HydrophobicContact CG2-CG1 3.74Å; I61-V70 HydrophobicContact CG2-CG1 4.07Å; S62-V70 CarbonylContact O-C 3.39Å; S62-V70 WeakPolarHBondContact O-CA 3.38Å; S62-V70 WeakPolarHBondContact O-CG1 3.31Å; K63-V70 HydrophobicContact CB-CG2 4.13Å
71	F	96.3	Very high	94.3	Very high	48 Å²	48	51.8 Å²	51.8	21%	0.211	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.3	-177.9	-51.6	-84.5	0	0	0	109.5	I12 T13 I61 S62 D64 Q69	I12-F71 WeakPolarHBondContact O-CA 3.35Å; T13-F71 HydrophobicContact CG2-CD1 3.97Å; T13-F71 HydrophobicContact CG2-CE1 3.67Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.44Å; I61-F71 WeakPolarHBondContact CA-O 3.29Å; S62-F71 PolarHBondContact N-O 3.19Å; S62-F71 PolarHBondContact O-N 2.84Å; D64-F71 HydrophobicContact CB-CE2 3.84Å; D64-F71 HydrophobicContact CB-CZ 4.43Å; Q69-F71 HydrophobicContact CB-CE1 4.27Å; Q69-F71 HydrophobicContact CB-CE2 3.98Å; Q69-F71 HydrophobicContact CB-CZ 3.66Å
72	F	95.3	Very high	94.2	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122.8	172	169.1	-90.1	0	0	0	108.8	S11 I12 W28 L40 L59 I61 M74 Y85	S11-F72 CarbonylContact C-O 3.6Å; S11-F72 WeakPolarHBondContact CA-O 3.2Å; I12-F72 HydrophobicContact CB-CD1 4.44Å; I12-F72 HydrophobicContact CD1-CD1 4.03Å; I12-F72 HydrophobicContact CD1-CE1 4.41Å; I12-F72 HydrophobicContact CG1-CD1 4.23Å; I12-F72 PolarHBondContact N-O 2.87Å; I12-F72 PolarHBondContact O-N 2.88Å; W28-F72 HydrophobicContact CB-CD2 3.97Å; W28-F72 HydrophobicContact CB-CE2 4.31Å; W28-F72 HydrophobicContact CD2-CB 3.52Å; W28-F72 AromaticContact CD2-CD2 3.98Å; W28-F72 HydrophobicContact CD2-CD2 3.98Å; W28-F72 AromaticContact CD2-CG 3.93Å; W28-F72 HydrophobicContact CD2-CG 3.93Å; W28-F72 HydrophobicContact CE3-CB 3.85Å; W28-F72 HydrophobicContact CE3-CD2 4.44Å; W28-F72 HydrophobicContact CE3-CG 4.11Å; W28-F72 HydrophobicContact CG-CB 4.07Å; W28-F72 AromaticContact CG-CD2 3.74Å; W28-F72 HydrophobicContact CG-CD2 3.74Å; W28-F72 HydrophobicContact CG-CG 4.19Å; W28-F72 HydrophobicContact CH2-CB 3.81Å; W28-F72 HydrophobicContact CZ2-CB 3.5Å; W28-F72 VanDerWaalsContact CZ2-CB 3.5Å; W28-F72 HydrophobicContact CZ3-CB 3.99Å; L40-F72 HydrophobicContact CB-CE2 4.28Å; L40-F72 HydrophobicContact CD1-CE2 3.81Å; L40-F72 HydrophobicContact CD1-CZ 3.68Å; L59-F72 HydrophobicContact CD1-CE2 4.06Å; L59-F72 HydrophobicContact CD2-CD2 4.42Å; L59-F72 HydrophobicContact CD2-CE1 4.27Å; L59-F72 HydrophobicContact CD2-CE2 3.37Å; L59-F72 HydrophobicContact CD2-CZ 3.27Å; L59-F72 HydrophobicContact CG-CE2 4.27Å; I61-F72 HydrophobicContact CG1-CD2 4.09Å; F72-M74 HydrophobicContact CE1-CB 3.85Å; F72-M74 HydrophobicContact CZ-CB 4.09Å; F72-M74 HydrophobicContact CZ-CE 4.13Å; F72-Y85 AromaticContact CE1-CD1 3.9Å; F72-Y85 HydrophobicContact CE1-CD1 3.9Å; F72-Y85 AromaticContact CE1-CE1 3.73Å; F72-Y85 HydrophobicContact CE1-CE1 3.73Å; F72-Y85 HydrophobicContact CZ-CD1 4.19Å; F72-Y85 AromaticContact CZ-CE1 3.88Å; F72-Y85 HydrophobicContact CZ-CE1 3.88Å
73	K	94.6	Very high	94.1	Very high	96 Å²	96	50.5 Å²	50.5	42%	0.417	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.8	175.6	-169.3	179.6	-176.2	-173.2	0	109.7	L10 L59 S60 N75	L10-K73 VanDerWaalsContact O-CA 3.25Å; L10-K73 WeakPolarHBondContact O-CA 3.44Å; L10-K73 WeakPolarHBondContact O-CG 3.49Å; L59-K73 CarbonylContact C-O 3.53Å; L59-K73 WeakPolarHBondContact CA-O 3.37Å; S60-K73 PolarHBondContact N-O 2.75Å; S60-K73 PolarHBondContact O-N 3.32Å; K73-N75 WeakPolarHBondContact CE-OD1 3.24Å
74	M	93.4	Very high	94	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	121.6	172.3	-176.4	178.2	-97.5	0	0	108.7	S9 L10 F55 R58 L59 F72 L77 D81	S9-M74 CarbonylContact C-O 3.6Å; S9-M74 VanDerWaalsContact CA-O 3.29Å; S9-M74 WeakPolarHBondContact CA-O 2.85Å; L10-M74 PolarHBondContact N-O 3.24Å; L10-M74 PolarHBondContact O-N 3.21Å; F55-M74 HydrophobicContact CD1-CE 3.96Å; R58-M74 CarbonylContact O-C 3.55Å; R58-M74 WeakPolarHBondContact O-CA 3.29Å; L59-M74 HydrophobicContact CD2-CB 3.79Å; L59-M74 HydrophobicContact CD2-CE 3.46Å; L59-M74 VanDerWaalsContact CD2-CE 3.46Å; L59-M74 HydrophobicContact CD2-CG 3.84Å; L59-M74 HydrophobicContact CD2-SD 4.41Å; L59-M74 HydrophobicContact CG-CE 4.35Å; F72-M74 HydrophobicContact CE1-CB 3.85Å; F72-M74 HydrophobicContact CZ-CB 4.09Å; F72-M74 HydrophobicContact CZ-CE 4.13Å; M74-L77 HydrophobicContact CB-CD2 4.16Å; M74-L77 HydrophobicContact CG-CD2 3.81Å; M74-L77 HydrophobicContact SD-CD2 3.63Å; M74-D81 HydrophobicContact SD-CB 4.04Å; M74-D81 VanDerWaalsContact SD-CG 3.6Å
75	N	92.9	Very high	93.9	Very high	53 Å²	53	49.3 Å²	49.3	28%	0.283	27%	0.273	S	S	.	.			trans	-94.7	160.1	177.7	-56.2	-46.7	0	0	0	110.4	S9 R58 K73 L77	S9-N75 PolarHBondContact OG-OD1 2.59Å; R58-N75 WeakPolarHBondContact CB-O 3.25Å; R58-N75 PolarHBondContact O-N 2.97Å; K73-N75 WeakPolarHBondContact CE-OD1 3.24Å; N75-L77 PolarHBondContact O-N 2.81Å
76	S	90.9	Very high	93.9	Very high	68 Å²	68	47.9 Å²	47.9	48%	0.476	26%	0.263	S	S	.	.	S	Bend	trans	51.8	57.8	174.2	-56.2	0	0	0	0	111.9	Q8 R58	Q8-S76 PolarHBondContact O-N 3.13Å; R58-S76 PolarHBondContact NH1-O 2.99Å
77	L	90.8	Very high	93.9	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.016	23%	0.232	C	C	.	.			trans	-59.6	142.1	-179.3	-68.9	168.3	0	0	0	111.6	V4 P6 S7 Q8 L10 M74 N75 D81 L112 V114	V4-L77 HydrophobicContact CB-CD1 4.27Å; V4-L77 HydrophobicContact CG2-CD1 3.61Å; P6-L77 WeakPolarHBondContact CA-O 3.17Å; S7-L77 PolarHBondContact N-O 2.83Å; Q8-L77 VanDerWaalsContact O-CG 3.31Å; Q8-L77 WeakPolarHBondContact O-CG 3.2Å; Q8-L77 PolarHBondContact O-N 2.84Å; L10-L77 HydrophobicContact CB-CD1 3.83Å; L10-L77 HydrophobicContact CB-CD2 4.18Å; L10-L77 HydrophobicContact CB-CG 4.46Å; M74-L77 HydrophobicContact CB-CD2 4.16Å; M74-L77 HydrophobicContact CG-CD2 3.81Å; M74-L77 HydrophobicContact SD-CD2 3.63Å; N75-L77 PolarHBondContact O-N 2.81Å; L77-D81 HydrophobicContact CD2-CB 4.1Å; L77-L112 HydrophobicContact CD2-CD2 4.3Å; L77-V114 HydrophobicContact CB-CG1 4.2Å; L77-V114 HydrophobicContact CB-CG2 4.36Å
78	Q	91.7	Very high	93.7	Very high	97 Å²	97	37.8 Å²	37.8	45%	0.453	21%	0.207	S	C	.	.			trans	-118	159.4	177.9	-57.5	177.3	11	0	0	108.9	D80 D81 V114	Q78-D80 PolarHBondContact O-N 2.83Å; Q78-D81 PolarHBondContact N-OD2 2.9Å; Q78-D81 WeakPolarHBondContact O-CB 3.3Å; Q78-D81 PolarHBondContact O-N 2.03Å; Q78-V114 WeakPolarHBondContact O-CB 3.02Å; Q78-V114 WeakPolarHBondContact O-CG1 3.48Å
79	A	89.8	Confident	93.5	Very high	61 Å²	61	37.8 Å²	37.8	50%	0.504	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-54	-37.3	177.1	0	0	0	0	0	112	D81 T82	A79-D81 PolarHBondContact O-N 2.81Å; A79-T82 VanDerWaalsContact O-CB 3.31Å; A79-T82 WeakPolarHBondContact O-CB 2.99Å; A79-T82 PolarHBondContact O-N 2.85Å; A79-T82 PolarHBondContact O-OG1 3Å
80	D	90.1	Very high	92.9	Very high	125 Å²	125	36.2 Å²	36.2	67%	0.668	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-68.4	-8.2	178	-68.1	-9	0	0	0	114.3	Q78	Q78-D80 PolarHBondContact O-N 2.83Å
81	D	92.1	Very high	91.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-83.3	-0.3	171.2	-60.4	-44.1	0	0	0	112.4	R30 R58 M74 L77 Q78 A79 A83 Y85 V114	R30-D81 IonicContact NH1-OD1 3.32Å; R30-D81 PolarHBondContact NH1-OD1 3.28Å; R58-D81 IonicContact CZ-OD1 3.77Å; R58-D81 IonicContact CZ-OD2 2.84Å; R58-D81 IonicContact NH1-OD1 3.28Å; R58-D81 IonicContact NH1-OD2 2.7Å; R58-D81 PolarHBondContact NH1-OD2 2.76Å; R58-D81 IonicContact NH2-OD1 3.45Å; R58-D81 PolarHBondContact NH2-OD1 2.9Å; R58-D81 IonicContact NH2-OD2 2.9Å; R58-D81 PolarHBondContact NH2-OD2 2.87Å; M74-D81 HydrophobicContact SD-CB 4.04Å; M74-D81 VanDerWaalsContact SD-CG 3.6Å; L77-D81 HydrophobicContact CD2-CB 4.1Å; Q78-D81 PolarHBondContact N-OD2 2.9Å; Q78-D81 WeakPolarHBondContact O-CB 3.3Å; Q78-D81 PolarHBondContact O-N 2.03Å; A79-D81 PolarHBondContact O-N 2.81Å; D81-A83 PolarHBondContact O-N 2.81Å; D81-A83 VanDerWaalsContact O-N 3.12Å; D81-Y85 WeakPolarHBondContact O-CE2 3.48Å; D81-Y85 PolarHBondContact O-OH 3.49Å; D81-V114 HydrophobicContact CB-CG2 4.3Å
82	T	94.1	Very high	90.1	Very high	34 Å²	34	40.4 Å²	40.4	21%	0.209	22%	0.222	C	C	.	.			trans	-62.1	112.6	169.9	-64.8	0	0	0	0	110.4	S32 P33 A79 L112 T113 V114	S32-T82 PolarHBondContact OG-O 3.46Å; P33-T82 WeakPolarHBondContact CD-O 3.25Å; A79-T82 VanDerWaalsContact O-CB 3.31Å; A79-T82 WeakPolarHBondContact O-CB 2.99Å; A79-T82 PolarHBondContact O-N 2.85Å; A79-T82 PolarHBondContact O-OG1 3Å; T82-L112 WeakPolarHBondContact CA-O 3.36Å; T82-T113 HydrophobicContact CG2-CG2 4.42Å; T82-V114 PolarHBondContact OG1-N 2.88Å; T82-V114 PolarHBondContact OG1-O 2.97Å
83	A	94.9	Very high	88.1	Confident	3 Å²	3	46.5 Å²	46.5	3%	0.025	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	168.6	-175.1	0	0	0	0	0	111.6	R30 Q31 D81 Y85 L112	R30-A83 HydrophobicContact CB-CB 3.93Å; R30-A83 HydrophobicContact CG-CB 4.35Å; Q31-A83 WeakPolarHBondContact O-CA 3.13Å; Q31-A83 WeakPolarHBondContact O-CB 3.48Å; D81-A83 PolarHBondContact O-N 2.81Å; D81-A83 VanDerWaalsContact O-N 3.12Å; A83-Y85 HydrophobicContact CB-CD2 4.29Å; A83-Y85 HydrophobicContact CB-CE2 3.86Å; A83-L112 PolarHBondContact N-O 2.8Å; A83-L112 VanDerWaalsContact N-O 3.12Å; A83-L112 PolarHBondContact O-N 2.85Å
84	I	95.3	Very high	86.1	Confident	55 Å²	55	50.7 Å²	50.7	28%	0.282	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	127.9	161	-50.1	176.1	0	0	0	108	R30 Q31 Y86 T110	R30-I84 CarbonylContact C-O 3.53Å; R30-I84 WeakPolarHBondContact CA-O 3.32Å; Q31-I84 PolarHBondContact N-O 2.8Å; Q31-I84 PolarHBondContact O-N 2.8Å; I84-Y86 HydrophobicContact CB-CE2 3.79Å; I84-Y86 HydrophobicContact CG2-CD2 4.41Å; I84-Y86 HydrophobicContact CG2-CE1 3.81Å; I84-Y86 HydrophobicContact CG2-CE2 3.66Å; I84-Y86 VanDerWaalsContact CG2-OH 3.3Å; I84-Y86 WeakPolarHBondContact CG2-OH 3.33Å; I84-Y86 WeakPolarHBondContact O-CE2 3.35Å; I84-T110 WeakPolarHBondContact CA-O 3.43Å
85	Y	95	Very high	84.1	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.008	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.9	-179.6	-72.2	-103.1	0	0	0	110.6	I12 R30 L40 F72 D81 A83 G109 T110 L112	I12-Y85 VanDerWaalsContact CD1-CB 3.45Å; I12-Y85 HydrophobicContact CD1-CD1 3.92Å; I12-Y85 HydrophobicContact CD1-CD2 4.15Å; I12-Y85 HydrophobicContact CD1-CG 3.58Å; R30-Y85 HydrophobicContact CB-CD1 4.01Å; R30-Y85 HydrophobicContact CB-CE1 4.06Å; R30-Y85 HydrophobicContact CB-CG 4.32Å; L40-Y85 HydrophobicContact CD1-CD1 3.81Å; L40-Y85 HydrophobicContact CD1-CE1 3.67Å; F72-Y85 AromaticContact CE1-CD1 3.9Å; F72-Y85 HydrophobicContact CE1-CD1 3.9Å; F72-Y85 AromaticContact CE1-CE1 3.73Å; F72-Y85 HydrophobicContact CE1-CE1 3.73Å; F72-Y85 HydrophobicContact CZ-CD1 4.19Å; F72-Y85 AromaticContact CZ-CE1 3.88Å; F72-Y85 HydrophobicContact CZ-CE1 3.88Å; D81-Y85 WeakPolarHBondContact O-CE2 3.48Å; D81-Y85 PolarHBondContact O-OH 3.49Å; A83-Y85 HydrophobicContact CB-CD2 4.29Å; A83-Y85 HydrophobicContact CB-CE2 3.86Å; Y85-G109 CarbonylContact O-C 3.44Å; Y85-G109 WeakPolarHBondContact O-CA 3.41Å; Y85-T110 PolarHBondContact N-O 2.92Å; Y85-T110 PolarHBondContact O-N 3.36Å; Y85-L112 HydrophobicContact CD2-CB 4.02Å; Y85-L112 HydrophobicContact CE2-CB 3.84Å; Y85-L112 HydrophobicContact CE2-CD2 3.74Å; Y85-L112 HydrophobicContact CE2-CG 4.47Å
86	Y	94.8	Very high	82	Confident	39 Å²	39	62.5 Å²	62.5	15%	0.153	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	143.3	-178.3	-54.3	-88.5	0	0	0	110.1	W28 V29 Q31 L37 I84 W106 G109	W28-Y86 WeakPolarHBondContact CA-O 3.33Å; V29-Y86 PolarHBondContact N-O 3.28Å; V29-Y86 PolarHBondContact O-N 2.85Å; Q31-Y86 HydrophobicContact CB-CE2 3.96Å; L37-Y86 HydrophobicContact CD2-CD2 4.43Å; L37-Y86 HydrophobicContact CD2-CE2 4.38Å; I84-Y86 HydrophobicContact CB-CE2 3.79Å; I84-Y86 HydrophobicContact CG2-CD2 4.41Å; I84-Y86 HydrophobicContact CG2-CE1 3.81Å; I84-Y86 HydrophobicContact CG2-CE2 3.66Å; I84-Y86 VanDerWaalsContact CG2-OH 3.3Å; I84-Y86 WeakPolarHBondContact CG2-OH 3.33Å; I84-Y86 WeakPolarHBondContact O-CE2 3.35Å; Y86-W106 HydrophobicContact CD1-CE3 4.47Å; Y86-W106 HydrophobicContact CG-CE3 4.12Å; Y86-W106 HydrophobicContact CG-CZ3 4.27Å; Y86-G109 VanDerWaalsContact CD1-CA 3.4Å
87	C	94.4	Very high	80.1	Confident	15 Å²	15	67 Å²	67	10%	0.101	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	142.2	159.3	56.5	0	0	0	0	109.1	C14 V26 H27 W28 G107	C14-C87 HydrophobicContact CB-CB 3.47Å; C14-C87 VanDerWaalsContact CB-CB 3.47Å; C14-C87 WeakPolarHBondContact CB-SG 3.38Å; C14-C87 WeakPolarHBondContact SG-CB 3.25Å; C14-C87 CovalentContact SG-SG 2.03Å; C14-C87 PolarHBondContact SG-SG 3.16Å; V26-C87 HydrophobicContact CG1-CB 3.95Å; H27-C87 CarbonylContact O-C 3.6Å; H27-C87 VanDerWaalsContact O-CA 3.25Å; H27-C87 WeakPolarHBondContact O-CA 3.42Å; W28-C87 HydrophobicContact CD2-CB 4.41Å; W28-C87 HydrophobicContact CE3-CB 4.26Å; W28-C87 HydrophobicContact CH2-CB 4.18Å; W28-C87 HydrophobicContact CZ2-CB 4.29Å; W28-C87 HydrophobicContact CZ3-CB 4.15Å; C87-G107 PolarHBondContact O-N 2.84Å
88	A	93.3	Very high	78.4	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.008	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	138.4	179.4	0	0	0	0	0	111.5	V26 H27 F103 Y105 W106	V26-A88 CarbonylContact C-O 3.58Å; V26-A88 WeakPolarHBondContact CA-O 3.47Å; H27-A88 PolarHBondContact N-O 3.04Å; H27-A88 PolarHBondContact O-N 3.23Å; A88-F103 HydrophobicContact CB-CB 4.08Å; A88-F103 HydrophobicContact CB-CD1 4.29Å; A88-F103 HydrophobicContact CB-CG 4.14Å; A88-Y105 CarbonylContact C-O 3.59Å; A88-Y105 WeakPolarHBondContact CA-O 3.34Å; A88-W106 HydrophobicContact CB-CD2 3.86Å; A88-W106 HydrophobicContact CB-CE3 4.01Å; A88-W106 HydrophobicContact CB-CG 4.34Å; A88-W106 HydrophobicContact CB-CH2 4.42Å; A88-W106 HydrophobicContact CB-CZ2 4.31Å; A88-W106 HydrophobicContact CB-CZ3 4.29Å
89	R	91	Very high	76.6	Confident	45 Å²	45	68 Å²	68	17%	0.17	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	137.5	173.9	178.9	175.1	75.2	-176.2	5.1	109.8	F19 Y24 F103 D104 Y105	F19-R89 HydrophobicContact CD1-CG 4.48Å; F19-R89 HydrophobicContact CD2-CG 4.32Å; F19-R89 HydrophobicContact CE1-CB 4.01Å; F19-R89 HydrophobicContact CE1-CG 4.26Å; F19-R89 HydrophobicContact CE2-CB 4.4Å; F19-R89 HydrophobicContact CE2-CG 4.1Å; F19-R89 HydrophobicContact CG-CG 4.48Å; F19-R89 HydrophobicContact CZ-CB 3.87Å; F19-R89 HydrophobicContact CZ-CG 4.06Å; Y24-R89 HydrophobicContact CD1-CG 4.25Å; Y24-R89 HydrophobicContact CG-CG 4.25Å; R89-F103 WeakPolarHBondContact O-CA 3.44Å; R89-D104 IonicContact CZ-OD1 3.56Å; R89-D104 IonicContact CZ-OD2 3.21Å; R89-D104 VanDerWaalsContact NE-CG 3.34Å; R89-D104 IonicContact NE-OD1 2.81Å; R89-D104 PolarHBondContact NE-OD1 3.08Å; R89-D104 IonicContact NE-OD2 3.13Å; R89-D104 PolarHBondContact NE-OD2 3.23Å; R89-D104 VanDerWaalsContact NE-OD2 3.13Å; R89-D104 VanDerWaalsContact NH2-CG 3.31Å; R89-D104 IonicContact NH2-OD1 3.59Å; R89-D104 IonicContact NH2-OD2 2.59Å; R89-D104 PolarHBondContact NH2-OD2 3.27Å; R89-Y105 PolarHBondContact N-O 3.35Å
90	N	84.4	Confident	74.8	Confident	14 Å²	14	68.4 Å²	68.4	8%	0.075	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	119.2	164.4	-174	-94.3	0	0	0	109.5	Y24 G25 H27 G92 Y101	Y24-N90 VanDerWaalsContact CD1-O 3.3Å; Y24-N90 WeakPolarHBondContact CD1-O 3.47Å; G25-N90 WeakPolarHBondContact O-CB 3.25Å; G25-N90 PolarHBondContact O-N 2.86Å; H27-N90 WeakPolarHBondContact NE2-CB 3.42Å; H27-N90 PolarHBondContact NE2-ND2 2.8Å; N90-G92 PolarHBondContact OD1-N 2.83Å; N90-Y101 VanDerWaalsContact ND2-CD1 3.25Å; N90-Y101 WeakPolarHBondContact ND2-CD1 3.31Å
91	Y	71.9	Confident	73.4	Confident	93 Å²	93	67.2 Å²	67.2	37%	0.365	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	100.3	167.4	-160.4	-122.1	0	0	0	108.9	F93 Y102 D104	Y91-F93 AromaticContact CD1-CD2 3.85Å; Y91-F93 HydrophobicContact CD1-CD2 3.85Å; Y91-F93 HydrophobicContact CD1-CE2 4.17Å; Y91-F93 AromaticContact CE1-CD2 3.53Å; Y91-F93 HydrophobicContact CE1-CD2 3.53Å; Y91-F93 AromaticContact CE1-CE2 3.38Å; Y91-F93 HydrophobicContact CE1-CE2 3.38Å; Y91-F93 AromaticContact CZ-CE2 3.8Å; Y91-F93 PolarHBondContact O-N 2.81Å; Y91-Y102 PolarHBondContact N-O 3.05Å; Y91-D104 VanDerWaalsContact CB-OD2 3.24Å; Y91-D104 WeakPolarHBondContact CB-OD2 3.48Å; Y91-D104 WeakPolarHBondContact CD2-OD2 3.46Å; Y91-D104 HydrophobicContact CG-CB 4.23Å
92	G	61.3	Low	72.2	Confident	43 Å²	43	72.8 Å²	72.8	44%	0.443	37%	0.367	S	S	.	.			trans	-69.6	94.8	179.1	0	0	0	0	0	111.3	N90	N90-G92 PolarHBondContact OD1-N 2.83Å
93	F	53.7	Low	71.4	Confident	128 Å²	128	74.2 Å²	74.2	56%	0.561	37%	0.37	S	S	*	.			trans	-110.9	111.8	142.1	-84.7	-81.8	0	0	0	107.2	Y91 D95	Y91-F93 AromaticContact CD1-CD2 3.85Å; Y91-F93 HydrophobicContact CD1-CD2 3.85Å; Y91-F93 HydrophobicContact CD1-CE2 4.17Å; Y91-F93 AromaticContact CE1-CD2 3.53Å; Y91-F93 HydrophobicContact CE1-CD2 3.53Å; Y91-F93 AromaticContact CE1-CE2 3.38Å; Y91-F93 HydrophobicContact CE1-CE2 3.38Å; Y91-F93 AromaticContact CZ-CE2 3.8Å; Y91-F93 PolarHBondContact O-N 2.81Å; F93-D95 VanDerWaalsContact C-N 3.27Å; F93-D95 PolarHBondContact O-N 2.8Å
94	Y	51.5	Low	70.4	Confident	185 Å²	185	77.1 Å²	77.1	73%	0.725	39%	0.385	S	S	*	.			trans	-69	92.7	161.9	-86.1	-90.5	0	0	0	106.8	Y96	Y94-Y96 PolarHBondContact O-N 3.44Å
95	D	51.8	Low	69.5	Low	78 Å²	78	79.3 Å²	79.3	42%	0.417	39%	0.391	S	S	.	.			trans	-78.2	107.7	160.1	-163.5	-15.8	0	0	0	107.3	F93 D97 A98 G99	F93-D95 VanDerWaalsContact C-N 3.27Å; F93-D95 PolarHBondContact O-N 2.8Å; D95-D97 PolarHBondContact O-N 2.85Å; D95-D97 VanDerWaalsContact O-N 3.11Å; D95-D97 PolarHBondContact OD1-N 2.7Å; D95-A98 HydrophobicContact CB-CB 4.18Å; D95-A98 PolarHBondContact O-N 3.36Å; D95-A98 VanDerWaalsContact O-N 3.13Å; D95-G99 PolarHBondContact O-N 3.23Å
96	Y	50.1	Low	69.1	Low	222 Å²	222	83.2 Å²	83.2	87%	0.871	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.6	-178.5	-96.9	-93.6	0	0	0	112.2	Y94	Y94-Y96 PolarHBondContact O-N 3.44Å
97	D	51.1	Low	68.6	Low	163 Å²	163	82.2 Å²	82.2	87%	0.872	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-17.4	179.8	-84.7	-32.6	0	0	0	114.2	D95	D95-D97 PolarHBondContact O-N 2.85Å; D95-D97 VanDerWaalsContact O-N 3.11Å; D95-D97 PolarHBondContact OD1-N 2.7Å
98	A	54.8	Low	68.3	Low	52 Å²	52	90.6 Å²	90.6	43%	0.43	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-25.2	-167.9	0	0	0	0	0	115.3	D95 V100	D95-A98 HydrophobicContact CB-CB 4.18Å; D95-A98 PolarHBondContact O-N 3.36Å; D95-A98 VanDerWaalsContact O-N 3.13Å; A98-V100 HydrophobicContact CB-CG2 3.91Å; A98-V100 VanDerWaalsContact O-CG2 3.29Å; A98-V100 WeakPolarHBondContact O-CG2 3.49Å; A98-V100 PolarHBondContact O-N 2.73Å; A98-V100 VanDerWaalsContact O-N 3.14Å
99	G	53.1	Low	68	Low	69 Å²	69	91.9 Å²	91.9	71%	0.711	46%	0.458	S	S	*	.			trans	60.3	22.2	-178.5	0	0	0	0	0	114.3	D95	D95-G99 PolarHBondContact O-N 3.23Å
100	V	53.5	Low	68	Low	69 Å²	69	91.2 Å²	91.2	42%	0.418	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-98.8	121.2	-173.9	-174.6	0	0	0	0	110.4	A98 Y102	A98-V100 HydrophobicContact CB-CG2 3.91Å; A98-V100 VanDerWaalsContact O-CG2 3.29Å; A98-V100 WeakPolarHBondContact O-CG2 3.49Å; A98-V100 PolarHBondContact O-N 2.73Å; A98-V100 VanDerWaalsContact O-N 3.14Å; V100-Y102 HydrophobicContact CG1-CE1 4.31Å
101	Y	60	Low	68.3	Low	100 Å²	100	94.5 Å²	94.5	39%	0.392	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-82.1	124	167.6	-64.4	-74.4	0	0	0	109.9	W44 N90	W44-Y101 HydrophobicContact CH2-CD1 4.23Å; W44-Y101 AromaticContact CH2-CE1 3.77Å; W44-Y101 HydrophobicContact CH2-CE1 3.77Å; W44-Y101 HydrophobicContact CH2-CE2 4.19Å; W44-Y101 AromaticContact CH2-CZ 3.75Å; W44-Y101 HydrophobicContact CZ3-CD1 4.48Å; W44-Y101 HydrophobicContact CZ3-CE1 4.13Å; N90-Y101 VanDerWaalsContact ND2-CD1 3.25Å; N90-Y101 WeakPolarHBondContact ND2-CD1 3.31Å
102	Y	66.2	Low	69.1	Low	118 Å²	118	90.1 Å²	90.1	46%	0.463	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	137.3	175.2	-65.3	-79.2	0	0	0	111	Y91 V100	Y91-Y102 PolarHBondContact N-O 3.05Å; V100-Y102 HydrophobicContact CG1-CE1 4.31Å
103	F	78.1	Confident	70.3	Confident	65 Å²	65	91 Å²	91	29%	0.285	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	109.5	171.5	-56.5	-43.2	0	0	0	109.1	H27 A88 R89 W106	H27-F103 HydrophobicContact CB-CD1 4.36Å; H27-F103 HydrophobicContact CB-CE1 3.81Å; H27-F103 HydrophobicContact CB-CZ 4.15Å; H27-F103 AromaticContact CD2-CD1 3.91Å; H27-F103 AromaticContact CD2-CE1 3.33Å; H27-F103 WeakPolarHBondContact CD2-CE1 3.43Å; H27-F103 AromaticContact CE1-CE1 3.58Å; H27-F103 AromaticContact CG-CE1 3.22Å; H27-F103 AromaticContact CG-CZ 3.77Å; H27-F103 AromaticContact ND1-CE1 3.37Å; H27-F103 WeakPolarHBondContact ND1-CE1 3.45Å; H27-F103 AromaticContact ND1-CZ 3.59Å; H27-F103 AromaticContact NE2-CE1 3.57Å; A88-F103 HydrophobicContact CB-CB 4.08Å; A88-F103 HydrophobicContact CB-CD1 4.29Å; A88-F103 HydrophobicContact CB-CG 4.14Å; R89-F103 WeakPolarHBondContact O-CA 3.44Å; F103-W106 HydrophobicContact CB-CZ2 3.68Å; F103-W106 HydrophobicContact CD2-CH2 4.13Å; F103-W106 AromaticContact CD2-CZ2 3.64Å; F103-W106 HydrophobicContact CD2-CZ2 3.64Å; F103-W106 HydrophobicContact CG-CZ2 4.01Å; F103-W106 PolarHBondContact O-NE1 2.6Å
104	D	73	Confident	71.7	Confident	63 Å²	63	85.2 Å²	85.2	34%	0.337	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-25.9	-172.2	63.2	-11.4	0	0	0	113.9	R89 Y91	R89-D104 IonicContact CZ-OD1 3.56Å; R89-D104 IonicContact CZ-OD2 3.21Å; R89-D104 VanDerWaalsContact NE-CG 3.34Å; R89-D104 IonicContact NE-OD1 2.81Å; R89-D104 PolarHBondContact NE-OD1 3.08Å; R89-D104 IonicContact NE-OD2 3.13Å; R89-D104 PolarHBondContact NE-OD2 3.23Å; R89-D104 VanDerWaalsContact NE-OD2 3.13Å; R89-D104 VanDerWaalsContact NH2-CG 3.31Å; R89-D104 IonicContact NH2-OD1 3.59Å; R89-D104 IonicContact NH2-OD2 2.59Å; R89-D104 PolarHBondContact NH2-OD2 3.27Å; Y91-D104 VanDerWaalsContact CB-OD2 3.24Å; Y91-D104 WeakPolarHBondContact CB-OD2 3.48Å; Y91-D104 WeakPolarHBondContact CD2-OD2 3.46Å; Y91-D104 HydrophobicContact CG-CB 4.23Å
105	Y	77.3	Confident	73	Confident	102 Å²	102	80.8 Å²	80.8	40%	0.4	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.8	175.2	-171.4	-92.1	0	0	0	110.8	F19 A88 R89	F19-Y105 HydrophobicContact CE1-CD1 4.25Å; A88-Y105 CarbonylContact C-O 3.59Å; A88-Y105 WeakPolarHBondContact CA-O 3.34Å; R89-Y105 PolarHBondContact N-O 3.35Å
106	W	86.4	Confident	74.1	Confident	83 Å²	83	81 Å²	81	31%	0.314	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134.6	179.5	-69.2	75.3	0	0	0	110.5	V29 L37 Y86 A88 F103	V29-W106 HydrophobicContact CB-CH2 4.13Å; V29-W106 HydrophobicContact CB-CZ3 3.86Å; V29-W106 HydrophobicContact CG1-CH2 4.04Å; V29-W106 HydrophobicContact CG1-CZ3 4.02Å; V29-W106 HydrophobicContact CG2-CH2 3.9Å; V29-W106 HydrophobicContact CG2-CZ3 4.02Å; L37-W106 HydrophobicContact CD1-CH2 3.86Å; L37-W106 HydrophobicContact CD1-CZ2 4.4Å; L37-W106 HydrophobicContact CD1-CZ3 4.43Å; L37-W106 HydrophobicContact CD2-CH2 4.49Å; L37-W106 HydrophobicContact CD2-CZ3 4.35Å; Y86-W106 HydrophobicContact CD1-CE3 4.47Å; Y86-W106 HydrophobicContact CG-CE3 4.12Å; Y86-W106 HydrophobicContact CG-CZ3 4.27Å; A88-W106 HydrophobicContact CB-CD2 3.86Å; A88-W106 HydrophobicContact CB-CE3 4.01Å; A88-W106 HydrophobicContact CB-CG 4.34Å; A88-W106 HydrophobicContact CB-CH2 4.42Å; A88-W106 HydrophobicContact CB-CZ2 4.31Å; A88-W106 HydrophobicContact CB-CZ3 4.29Å; F103-W106 HydrophobicContact CB-CZ2 3.68Å; F103-W106 HydrophobicContact CD2-CH2 4.13Å; F103-W106 AromaticContact CD2-CZ2 3.64Å; F103-W106 HydrophobicContact CD2-CZ2 3.64Å; F103-W106 HydrophobicContact CG-CZ2 4.01Å; F103-W106 PolarHBondContact O-NE1 2.6Å
107	G	84.4	Confident	75.3	Confident	19 Å²	19	73.5 Å²	73.5	20%	0.196	41%	0.408	C	S	.	.			trans	-65	159.5	165.9	0	0	0	0	0	111.1	C87 G109	C87-G107 PolarHBondContact O-N 2.84Å; G107-G109 PolarHBondContact O-N 3.35Å
108	Q	87	Confident	76.7	Confident	191 Å²	191	68.6 Å²	68.6	89%	0.893	38%	0.383	S	S	*	.			trans	-61.2	-12.2	-179.3	-68	-65.9	-51.2	0	0	114.4
109	G	87.9	Confident	78	Confident	27 Å²	27	69.5 Å²	69.5	28%	0.278	38%	0.38	S	S	.	.			trans	85.9	163.6	-177	0	0	0	0	0	112.7	Y85 Y86 G107	Y85-G109 CarbonylContact O-C 3.44Å; Y85-G109 WeakPolarHBondContact O-CA 3.41Å; Y86-G109 VanDerWaalsContact CD1-CA 3.4Å; G107-G109 PolarHBondContact O-N 3.35Å
110	T	90.8	Very high	79.5	Confident	32 Å²	32	69.6 Å²	69.6	20%	0.196	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	112.6	-178.4	-90.3	0	0	0	0	108.1	P1 I12 I84 Y85	P1-T110 HydrophobicContact CB-CG2 3.29Å; P1-T110 HydrophobicContact CG-CG2 3.15Å; P1-T110 WeakPolarHBondContact CG-OG1 3.29Å; I12-T110 HydrophobicContact CD1-CG2 3.93Å; I12-T110 HydrophobicContact CG1-CG2 4.26Å; I12-T110 HydrophobicContact CG2-CG2 4.1Å; I84-T110 WeakPolarHBondContact CA-O 3.43Å; Y85-T110 PolarHBondContact N-O 2.92Å; Y85-T110 PolarHBondContact O-N 3.36Å
111	T	90.9	Very high	81.3	Confident	83 Å²	83	69.6 Å²	69.6	51%	0.509	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	127.9	177.1	-51.8	0	0	0	0	110.5
112	L	88.1	Confident	82.8	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.005	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.3	173	-176.2	77.1	0	0	0	109.6	V4 L10 L77 T82 A83 Y85 V114	V4-L112 HydrophobicContact CG1-CD1 4.12Å; V4-L112 HydrophobicContact CG2-CD1 3.8Å; V4-L112 HydrophobicContact CG2-CG 4.22Å; L10-L112 HydrophobicContact CD1-CD1 3.65Å; L10-L112 HydrophobicContact CD2-CD1 3.87Å; L10-L112 HydrophobicContact CD2-CD2 3.39Å; L10-L112 HydrophobicContact CD2-CG 4.13Å; L10-L112 HydrophobicContact CG-CD1 4.31Å; L10-L112 HydrophobicContact CG-CD2 4.46Å; L77-L112 HydrophobicContact CD2-CD2 4.3Å; T82-L112 WeakPolarHBondContact CA-O 3.36Å; A83-L112 PolarHBondContact N-O 2.8Å; A83-L112 VanDerWaalsContact N-O 3.12Å; A83-L112 PolarHBondContact O-N 2.85Å; Y85-L112 HydrophobicContact CD2-CB 4.02Å; Y85-L112 HydrophobicContact CE2-CB 3.84Å; Y85-L112 HydrophobicContact CE2-CD2 3.74Å; Y85-L112 HydrophobicContact CE2-CG 4.47Å; L112-V114 HydrophobicContact CD2-CG2 4.03Å; L112-V114 HydrophobicContact CG-CG2 4.32Å
113	T	87	Confident	84.1	Confident	61 Å²	61	63.5 Å²	63.5	37%	0.374	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.8	172.9	-54.4	0	0	0	0	109.5	L3 V4 T82	L3-T113 WeakPolarHBondContact CA-O 3.24Å; L3-T113 HydrophobicContact CD1-CG2 3.7Å; V4-T113 PolarHBondContact N-O 3.34Å; T82-T113 HydrophobicContact CG2-CG2 4.42Å
114	V	83.4	Confident	84.6	Confident	6 Å²	6	63.4 Å²	63.4	4%	0.036	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	111.5	176.5	-168.2	0	0	0	0	108.5	V4 P6 L77 Q78 D81 T82 L112	V4-V114 HydrophobicContact CG2-CB 4.3Å; V4-V114 HydrophobicContact CG2-CG1 4.36Å; V4-V114 HydrophobicContact CG2-CG2 3.75Å; V4-V114 WeakPolarHBondContact O-CA 3.47Å; P6-V114 HydrophobicContact CG-CG1 4.24Å; L77-V114 HydrophobicContact CB-CG1 4.2Å; L77-V114 HydrophobicContact CB-CG2 4.36Å; Q78-V114 WeakPolarHBondContact O-CB 3.02Å; Q78-V114 WeakPolarHBondContact O-CG1 3.48Å; D81-V114 HydrophobicContact CB-CG2 4.3Å; T82-V114 PolarHBondContact OG1-N 2.88Å; T82-V114 PolarHBondContact OG1-O 2.97Å; L112-V114 HydrophobicContact CD2-CG2 4.03Å; L112-V114 HydrophobicContact CG-CG2 4.32Å
115	S	78.7	Confident	85.6	Confident	93 Å²	93	63.5 Å²	63.5	65%	0.65	35%	0.35	S	S	*	.			trans	-146.5	0	-179.1	73.4	0	0	0	0	113.2	L3 V4 Q5	L3-S115 WeakPolarHBondContact CD1-OG 3.42Å; V4-S115 PolarHBondContact O-N 3.35Å; Q5-S115 PolarHBondContact NE2-O 3.01Å; Q5-S115 VanDerWaalsContact NE2-O 3.1Å

Retrieved 115 of 115 residues in 30.6 ms (Link to these results)

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