X5J4N4_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4N4, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 109 aa.

						>X5J4N4_MOUSE|X5J4N4
PGLVQPSQSLSITCTVSGFSLTSYGVHWVRQSPGKGLEWLGVIWRGGSTDYNAAFMSRLSITKDNSKSQVFFKMNSLQADDTAIYYCAKYGNYAMDYWGQGTSVTVSSE
					

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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	59.5	Low	85.3	Confident	102 Å²	102	70.6 Å²	70.6	66%	0.662	44%	0.436	S	S	*	.				0	156.1	0	-37.9	41.8	0	0	0	110	L10 T102 S103 V104	P1-L10 HydrophobicContact CB-CD1 4.48Å; P1-T102 HydrophobicContact CB-CG2 3.4Å; P1-T102 HydrophobicContact CG-CG2 3.23Å; P1-S103 CarbonylContact C-O 3.57Å; P1-S103 VanDerWaalsContact C-O 3.3Å; P1-V104 HydrophobicContact CB-CG2 3.89Å
2	G	78	Confident	86.2	Confident	39 Å²	39	65.3 Å²	65.3	40%	0.402	40%	0.402	S	S	.	.			trans	-152.2	-141.6	-166.1	0	0	0	0	0	111.1	T105	G2-T105 PolarHBondContact O-N 3.38Å
3	L	83	Confident	87	Confident	117 Å²	117	65.5 Å²	65.5	61%	0.613	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	127.4	178.7	-170.2	65.6	0	0	0	110.9	T105	L3-T105 WeakPolarHBondContact CA-O 3.45Å; L3-T105 HydrophobicContact CD1-CG2 3.92Å
4	V	85.2	Confident	87.7	Confident	24 Å²	24	61.5 Å²	61.5	15%	0.145	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.4	176	-68.7	0	0	0	0	109.1	L77 V104 T105 V106 S107	V4-L77 HydrophobicContact CB-CD1 4.02Å; V4-L77 HydrophobicContact CG2-CD1 3.58Å; V4-V104 HydrophobicContact CG2-CG1 3.71Å; V4-T105 WeakPolarHBondContact CG2-O 3.44Å; V4-T105 PolarHBondContact N-O 3.34Å; V4-V106 HydrophobicContact CG2-CB 4.32Å; V4-V106 HydrophobicContact CG2-CG1 4.49Å; V4-V106 HydrophobicContact CG2-CG2 3.79Å; V4-V106 VanDerWaalsContact O-CA 3.26Å; V4-V106 WeakPolarHBondContact O-CA 3.45Å; V4-S107 PolarHBondContact O-N 2.6Å
5	Q	85.8	Confident	88.2	Confident	106 Å²	106	63.6 Å²	63.6	50%	0.495	39%	0.392	S	S	.	.			trans	-88.7	154.9	-180	-69.1	-173.4	-16.3	0	0	111.7	Q8	Q5-Q8 HydrophobicContact CB-CG 4.11Å; Q5-Q8 VanDerWaalsContact N-OE1 3.09Å; Q5-Q8 VanDerWaalsContact O-CB 3.3Å; Q5-Q8 WeakPolarHBondContact O-CB 3.48Å; Q5-Q8 PolarHBondContact O-N 3.45Å
6	P	87.6	Confident	88.5	Confident	55 Å²	55	60.4 Å²	60.4	36%	0.357	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	150.5	170.7	-25.7	34.4	0	0	0	112.1	Q8 L77 V106	P6-Q8 PolarHBondContact O-N 3.01Å; P6-L77 WeakPolarHBondContact CA-O 3.11Å; P6-V106 HydrophobicContact CG-CG1 4.26Å
7	S	87.6	Confident	88.6	Confident	99 Å²	99	63.2 Å²	63.2	69%	0.692	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	-9.3	-176.8	-48.7	0	0	0	0	116.1	L77	S7-L77 PolarHBondContact N-O 3Å
8	Q	90.8	Very high	88.5	Confident	89 Å²	89	64.8 Å²	64.8	42%	0.416	43%	0.425	S	S	.	.			trans	-71.7	171.6	170.8	-64.4	-172.7	-22.4	0	0	111.5	Q5 P6 S76 L77	Q5-Q8 HydrophobicContact CB-CG 4.11Å; Q5-Q8 VanDerWaalsContact N-OE1 3.09Å; Q5-Q8 VanDerWaalsContact O-CB 3.3Å; Q5-Q8 WeakPolarHBondContact O-CB 3.48Å; Q5-Q8 PolarHBondContact O-N 3.45Å; P6-Q8 PolarHBondContact O-N 3.01Å; Q8-S76 PolarHBondContact O-N 2.79Å; Q8-L77 WeakPolarHBondContact O-CG 3.37Å; Q8-L77 PolarHBondContact O-N 2.9Å
9	S	92.8	Very high	88.6	Confident	64 Å²	64	63.5 Å²	63.5	45%	0.448	41%	0.412	S	S	.	.			trans	-106.2	135.2	174.6	-57.5	0	0	0	0	110.7	M74 N75	S9-M74 CarbonylContact C-O 3.57Å; S9-M74 VanDerWaalsContact CA-O 3.27Å; S9-M74 WeakPolarHBondContact CA-O 3.18Å; S9-N75 PolarHBondContact OG-OD1 2.03Å
10	L	93	Very high	88.8	Confident	6 Å²	6	62.9 Å²	62.9	3%	0.031	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	137.2	170.6	173.6	65	0	0	0	109.2	P1 I12 F72 K73 M74 L77 Y85 V104	P1-L10 HydrophobicContact CB-CD1 4.48Å; L10-I12 HydrophobicContact CD1-CD1 4.3Å; L10-I12 HydrophobicContact CD1-CG1 3.88Å; L10-I12 HydrophobicContact CD2-CD1 3.91Å; L10-I12 HydrophobicContact CD2-CG1 4.19Å; L10-I12 HydrophobicContact CG-CD1 4.19Å; L10-I12 HydrophobicContact CG-CG1 3.9Å; L10-F72 HydrophobicContact CD2-CE1 4.33Å; L10-K73 CarbonylContact O-C 3.42Å; L10-K73 VanDerWaalsContact O-CA 3.25Å; L10-K73 WeakPolarHBondContact O-CA 3.47Å; L10-K73 WeakPolarHBondContact O-CG 3.38Å; L10-M74 HydrophobicContact CB-CB 4.46Å; L10-M74 PolarHBondContact N-O 3.26Å; L10-M74 PolarHBondContact O-N 2.82Å; L10-L77 HydrophobicContact CB-CD1 3.85Å; L10-L77 HydrophobicContact CB-CD2 3.9Å; L10-L77 HydrophobicContact CB-CG 4.27Å; L10-L77 HydrophobicContact CD2-CD2 4.39Å; L10-Y85 HydrophobicContact CD2-CE1 4.44Å; L10-Y85 HydrophobicContact CD2-CE2 4.22Å; L10-V104 HydrophobicContact CD1-CG1 4.19Å; L10-V104 HydrophobicContact CD1-CG2 3.82Å; L10-V104 HydrophobicContact CD2-CG1 4.12Å; L10-V104 HydrophobicContact CD2-CG2 3.98Å
11	S	94.9	Very high	89.1	Confident	76 Å²	76	60 Å²	60	53%	0.531	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.3	167.7	-170.8	0	0	0	0	109.3	F72	S11-F72 CarbonylContact C-O 3.5Å; S11-F72 WeakPolarHBondContact CA-O 3.26Å
12	I	96.2	Very high	90.7	Very high	6 Å²	6	58.9 Å²	58.9	3%	0.031	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.3	176.7	-53.3	179.2	0	0	0	108.5	L10 W28 F71 F72 Y85 T102 V104	L10-I12 HydrophobicContact CD1-CD1 4.3Å; L10-I12 HydrophobicContact CD1-CG1 3.88Å; L10-I12 HydrophobicContact CD2-CD1 3.91Å; L10-I12 HydrophobicContact CD2-CG1 4.19Å; L10-I12 HydrophobicContact CG-CD1 4.19Å; L10-I12 HydrophobicContact CG-CG1 3.9Å; I12-W28 HydrophobicContact CB-CH2 3.99Å; I12-W28 HydrophobicContact CB-CZ3 4.09Å; I12-W28 HydrophobicContact CG2-CH2 3.7Å; I12-W28 HydrophobicContact CG2-CZ3 3.77Å; I12-F71 WeakPolarHBondContact O-CA 3.39Å; I12-F72 HydrophobicContact CB-CD1 4.49Å; I12-F72 HydrophobicContact CD1-CD1 4.31Å; I12-F72 HydrophobicContact CG1-CD1 4.4Å; I12-F72 PolarHBondContact N-O 2.83Å; I12-F72 PolarHBondContact O-N 2.89Å; I12-Y85 VanDerWaalsContact CD1-CB 3.44Å; I12-Y85 HydrophobicContact CD1-CD1 4.18Å; I12-Y85 HydrophobicContact CD1-CD2 4.15Å; I12-Y85 HydrophobicContact CD1-CG 3.67Å; I12-T102 HydrophobicContact CD1-CG2 4.02Å; I12-T102 HydrophobicContact CG1-CG2 4.4Å; I12-T102 HydrophobicContact CG2-CG2 4.28Å; I12-V104 HydrophobicContact CD1-CG2 4.32Å
13	T	97.1	Very high	91.4	Very high	68 Å²	68	59.8 Å²	59.8	42%	0.417	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126	172.8	-55.9	0	0	0	0	109.4	Q69 F71	T13-Q69 HydrophobicContact CG2-CB 4.14Å; T13-Q69 HydrophobicContact CG2-CG 3.85Å; T13-F71 HydrophobicContact CG2-CD1 3.99Å; T13-F71 HydrophobicContact CG2-CE1 3.7Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.3Å
14	C	96.1	Very high	91.9	Very high	10 Å²	10	58.6 Å²	58.6	7%	0.068	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	109.4	167.5	177.8	0	0	0	0	109	W28 Q69 V70 C87	C14-W28 HydrophobicContact CB-CH2 3.68Å; C14-W28 HydrophobicContact CB-CZ2 3.71Å; C14-Q69 WeakPolarHBondContact O-CA 3.33Å; C14-V70 HydrophobicContact CB-CB 4.43Å; C14-V70 PolarHBondContact N-O 3.25Å; C14-V70 PolarHBondContact O-N 2.96Å; C14-C87 HydrophobicContact CB-CB 3.48Å; C14-C87 VanDerWaalsContact CB-CB 3.48Å; C14-C87 WeakPolarHBondContact CB-SG 3.5Å; C14-C87 WeakPolarHBondContact SG-CB 3.43Å; C14-C87 CovalentContact SG-SG 2.03Å; C14-C87 PolarHBondContact SG-SG 2.82Å
15	T	95.9	Very high	92.3	Very high	93 Å²	93	57.5 Å²	57.5	57%	0.571	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	121	170.9	-54.6	0	0	0	0	108.4	Q69	T15-Q69 HydrophobicContact CG2-CG 4.38Å; T15-Q69 PolarHBondContact OG1-NE2 3.26Å
16	V	92.1	Very high	92.8	Very high	13 Å²	13	52.6 Å²	52.6	8%	0.079	34%	0.341	C	S	.	.			trans	-93.6	141.8	-179.6	-55.3	0	0	0	0	110.9	F19 L21 V26 S68	V16-F19 HydrophobicContact CB-CD1 4.44Å; V16-F19 HydrophobicContact CB-CE1 3.74Å; V16-F19 HydrophobicContact CB-CE2 4.03Å; V16-F19 HydrophobicContact CB-CZ 3.51Å; V16-F19 HydrophobicContact CG1-CE1 4.04Å; V16-F19 HydrophobicContact CG1-CE2 4.03Å; V16-F19 HydrophobicContact CG1-CZ 3.41Å; V16-F19 VanDerWaalsContact CG1-CZ 3.41Å; V16-F19 HydrophobicContact CG2-CE2 4.11Å; V16-F19 HydrophobicContact CG2-CZ 4.11Å; V16-L21 HydrophobicContact CB-CD2 4.43Å; V16-L21 HydrophobicContact CG1-CD2 3.96Å; V16-L21 HydrophobicContact CG2-CD1 4.18Å; V16-L21 HydrophobicContact CG2-CD2 3.65Å; V16-L21 HydrophobicContact CG2-CG 3.66Å; V16-V26 HydrophobicContact CG1-CG2 4.35Å; V16-S68 WeakPolarHBondContact CG2-O 3.44Å; V16-S68 PolarHBondContact N-O 3.32Å
17	S	90.4	Very high	93.3	Very high	108 Å²	108	50.7 Å²	50.7	76%	0.755	33%	0.327	S	S	*	.			trans	-134.5	150.5	173	61.8	0	0	0	0	109.3	F19	S17-F19 VanDerWaalsContact C-N 3.3Å; S17-F19 PolarHBondContact O-N 2.86Å
18	G	87.9	Confident	93.7	Very high	91 Å²	91	46 Å²	46	94%	0.938	30%	0.295	S	S	*	.	S	Bend	trans	80.7	-0.7	-179.3	0	0	0	0	0	115.8
19	F	89.3	Confident	94	Very high	40 Å²	40	42 Å²	42	18%	0.175	28%	0.276	C	S	.	.	S	Bend	trans	-153.6	162.9	170.2	67.7	-86.1	0	0	0	112.1	V16 S17 L21 Y24 V26 K89	V16-F19 HydrophobicContact CB-CD1 4.44Å; V16-F19 HydrophobicContact CB-CE1 3.74Å; V16-F19 HydrophobicContact CB-CE2 4.03Å; V16-F19 HydrophobicContact CB-CZ 3.51Å; V16-F19 HydrophobicContact CG1-CE1 4.04Å; V16-F19 HydrophobicContact CG1-CE2 4.03Å; V16-F19 HydrophobicContact CG1-CZ 3.41Å; V16-F19 VanDerWaalsContact CG1-CZ 3.41Å; V16-F19 HydrophobicContact CG2-CE2 4.11Å; V16-F19 HydrophobicContact CG2-CZ 4.11Å; S17-F19 VanDerWaalsContact C-N 3.3Å; S17-F19 PolarHBondContact O-N 2.86Å; F19-L21 HydrophobicContact CE2-CD2 3.99Å; F19-Y24 HydrophobicContact CB-CD2 3.95Å; F19-Y24 HydrophobicContact CB-CE2 4.26Å; F19-Y24 HydrophobicContact CD2-CD2 4.03Å; F19-Y24 HydrophobicContact CD2-CG 4.31Å; F19-Y24 HydrophobicContact CG-CD2 4.38Å; F19-V26 HydrophobicContact CE2-CG2 4.06Å; F19-V26 HydrophobicContact CZ-CG2 4.14Å; F19-K89 HydrophobicContact CB-CD 4.09Å; F19-K89 HydrophobicContact CD1-CD 3.57Å; F19-K89 HydrophobicContact CD1-CG 4.12Å; F19-K89 HydrophobicContact CD2-CD 3.87Å; F19-K89 HydrophobicContact CD2-CG 3.99Å; F19-K89 HydrophobicContact CE1-CB 3.92Å; F19-K89 HydrophobicContact CE1-CD 3.82Å; F19-K89 HydrophobicContact CE1-CG 3.88Å; F19-K89 HydrophobicContact CE2-CB 4.37Å; F19-K89 HydrophobicContact CE2-CD 4.11Å; F19-K89 HydrophobicContact CE2-CG 3.74Å; F19-K89 HydrophobicContact CG-CD 3.57Å; F19-K89 HydrophobicContact CG-CG 4.16Å; F19-K89 HydrophobicContact CZ-CB 3.81Å; F19-K89 HydrophobicContact CZ-CD 4.07Å; F19-K89 HydrophobicContact CZ-CG 3.67Å
20	S	92.6	Very high	94.2	Very high	51 Å²	51	39.5 Å²	39.5	36%	0.357	26%	0.257	S	S	.	.			trans	-97.7	135.1	175.9	179.1	0	0	0	0	112.5	T22 S23 Y24	S20-T22 PolarHBondContact O-N 3.49Å; S20-T22 PolarHBondContact OG-N 3.17Å; S20-T22 PolarHBondContact OG-OG1 3.45Å; S20-S23 PolarHBondContact O-N 2.95Å; S20-Y24 PolarHBondContact O-N 3.28Å
21	L	94.5	Very high	94.4	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-12	173	-64.9	-179.3	0	0	0	113.9	V16 F19 S23 V26 K63 N65 Q69 V70	V16-L21 HydrophobicContact CB-CD2 4.43Å; V16-L21 HydrophobicContact CG1-CD2 3.96Å; V16-L21 HydrophobicContact CG2-CD1 4.18Å; V16-L21 HydrophobicContact CG2-CD2 3.65Å; V16-L21 HydrophobicContact CG2-CG 3.66Å; F19-L21 HydrophobicContact CE2-CD2 3.99Å; L21-S23 VanDerWaalsContact C-N 3.33Å; L21-V26 HydrophobicContact CD2-CG2 3.65Å; L21-K63 HydrophobicContact CD1-CB 4.4Å; L21-K63 PolarHBondContact O-NZ 2.93Å; L21-N65 WeakPolarHBondContact CB-OD1 3.31Å; L21-Q69 WeakPolarHBondContact CD1-O 3.26Å; L21-V70 HydrophobicContact CD1-CG2 3.86Å; L21-V70 HydrophobicContact CD2-CG2 3.64Å; L21-V70 HydrophobicContact CG-CG2 4.43Å
22	T	94.3	Very high	94.5	Very high	80 Å²	80	39.5 Å²	39.5	49%	0.491	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-15.9	171.8	61.4	0	0	0	0	112.5	S20 N65	S20-T22 PolarHBondContact O-N 3.49Å; S20-T22 PolarHBondContact OG-N 3.17Å; S20-T22 PolarHBondContact OG-OG1 3.45Å; T22-N65 HydrophobicContact CG2-CB 4.23Å
23	S	92.6	Very high	94.4	Very high	58 Å²	58	44.1 Å²	44.1	41%	0.406	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-31.6	-177.8	-55	0	0	0	0	112.6	S20 L21 R45	S20-S23 PolarHBondContact O-N 2.95Å; L21-S23 VanDerWaalsContact C-N 3.33Å; S23-R45 WeakPolarHBondContact O-CD 3.22Å
24	Y	92.7	Very high	94.3	Very high	91 Å²	91	45.3 Å²	45.3	36%	0.357	31%	0.306	S	S	.	.			trans	-126.6	151.3	-173.3	-61.1	-83.5	0	0	0	112.6	F19 S20 K89 Y90	F19-Y24 HydrophobicContact CB-CD2 3.95Å; F19-Y24 HydrophobicContact CB-CE2 4.26Å; F19-Y24 HydrophobicContact CD2-CD2 4.03Å; F19-Y24 HydrophobicContact CD2-CG 4.31Å; F19-Y24 HydrophobicContact CG-CD2 4.38Å; S20-Y24 PolarHBondContact O-N 3.28Å; Y24-K89 HydrophobicContact CD1-CD 4.33Å; Y24-K89 HydrophobicContact CG-CD 4.15Å; Y24-K89 HydrophobicContact CG-CG 4.28Å; Y24-Y90 WeakPolarHBondContact CD1-O 3.34Å
25	G	94.4	Very high	94.2	Very high	2 Å²	2	50.4 Å²	50.4	2%	0.021	33%	0.326	C	S	.	.			trans	-85.5	164.6	167.5	0	0	0	0	0	112.1	I43 Y90	G25-I43 CarbonylContact C-O 3.53Å; G25-I43 WeakPolarHBondContact CA-O 3.5Å; G25-Y90 PolarHBondContact O-N 3.19Å
26	V	96.7	Very high	94.1	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.012	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	122.7	177.5	179.5	0	0	0	0	109.6	V16 F19 L21 V42 I43 V70 C87 A88	V16-V26 HydrophobicContact CG1-CG2 4.35Å; F19-V26 HydrophobicContact CE2-CG2 4.06Å; F19-V26 HydrophobicContact CZ-CG2 4.14Å; L21-V26 HydrophobicContact CD2-CG2 3.65Å; V26-V42 WeakPolarHBondContact O-CA 3.46Å; V26-V42 WeakPolarHBondContact O-CG2 3.29Å; V26-I43 HydrophobicContact CB-CG2 4.43Å; V26-I43 PolarHBondContact N-O 3.02Å; V26-I43 PolarHBondContact O-N 3.1Å; V26-V70 HydrophobicContact CB-CG1 4.45Å; V26-V70 HydrophobicContact CB-CG2 3.99Å; V26-V70 HydrophobicContact CG1-CB 4.45Å; V26-V70 HydrophobicContact CG1-CG1 4.4Å; V26-V70 HydrophobicContact CG1-CG2 4.27Å; V26-V70 HydrophobicContact CG2-CG2 3.87Å; V26-C87 HydrophobicContact CG1-CB 3.94Å; V26-A88 CarbonylContact C-O 3.44Å; V26-A88 WeakPolarHBondContact CA-O 3.34Å
27	H	96.6	Very high	94.3	Very high	15 Å²	15	52.7 Å²	52.7	7%	0.069	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	150.1	174.9	-66.8	-98	0	0	0	110.8	W39 G41 C87 A88 Y90 M95	H27-W39 AromaticContact CG-NE1 3.94Å; H27-W39 AromaticContact ND1-CD1 3.74Å; H27-W39 AromaticContact ND1-NE1 3.07Å; H27-W39 PolarHBondContact ND1-NE1 2.9Å; H27-G41 CarbonylContact C-O 3.54Å; H27-G41 WeakPolarHBondContact CA-O 3.44Å; H27-C87 CarbonylContact O-C 3.55Å; H27-C87 VanDerWaalsContact O-CA 3.24Å; H27-C87 WeakPolarHBondContact O-CA 3.48Å; H27-A88 PolarHBondContact N-O 3.39Å; H27-A88 PolarHBondContact O-N 2.8Å; H27-Y90 AromaticContact NE2-CD2 3.14Å; H27-Y90 WeakPolarHBondContact NE2-CD2 3.49Å; H27-Y90 AromaticContact NE2-CG 3.74Å; H27-M95 HydrophobicContact CB-CE 3.86Å; H27-M95 HydrophobicContact CB-SD 4.12Å
28	W	97.4	Very high	94.6	Very high	2 Å²	2	50 Å²	50	1%	0.008	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.4	165.1	-72.4	93.8	0	0	0	109.6	I12 C14 L40 G41 V70 F72 Y86 C87	I12-W28 HydrophobicContact CB-CH2 3.99Å; I12-W28 HydrophobicContact CB-CZ3 4.09Å; I12-W28 HydrophobicContact CG2-CH2 3.7Å; I12-W28 HydrophobicContact CG2-CZ3 3.77Å; C14-W28 HydrophobicContact CB-CH2 3.68Å; C14-W28 HydrophobicContact CB-CZ2 3.71Å; W28-L40 HydrophobicContact CB-CB 4.25Å; W28-L40 WeakPolarHBondContact O-CB 3.45Å; W28-L40 PolarHBondContact O-N 2.91Å; W28-G41 PolarHBondContact N-O 2.93Å; W28-G41 PolarHBondContact O-N 2.81Å; W28-V70 HydrophobicContact CZ2-CG1 4.22Å; W28-F72 HydrophobicContact CB-CD2 3.96Å; W28-F72 HydrophobicContact CB-CE2 4.23Å; W28-F72 HydrophobicContact CD2-CB 3.57Å; W28-F72 AromaticContact CD2-CD2 3.88Å; W28-F72 HydrophobicContact CD2-CD2 3.88Å; W28-F72 AromaticContact CD2-CG 3.91Å; W28-F72 HydrophobicContact CD2-CG 3.91Å; W28-F72 HydrophobicContact CE3-CB 3.89Å; W28-F72 HydrophobicContact CE3-CD2 4.32Å; W28-F72 HydrophobicContact CE3-CG 4.07Å; W28-F72 HydrophobicContact CG-CB 4.16Å; W28-F72 AromaticContact CG-CD2 3.69Å; W28-F72 HydrophobicContact CG-CD2 3.69Å; W28-F72 HydrophobicContact CG-CE2 4.44Å; W28-F72 HydrophobicContact CG-CG 4.22Å; W28-F72 HydrophobicContact CH2-CB 3.77Å; W28-F72 HydrophobicContact CZ2-CB 3.48Å; W28-F72 VanDerWaalsContact CZ2-CB 3.48Å; W28-F72 HydrophobicContact CZ3-CB 3.98Å; W28-F72 HydrophobicContact CZ3-CG 4.47Å; W28-Y86 WeakPolarHBondContact CA-O 3.4Å; W28-C87 HydrophobicContact CD2-CB 4.34Å; W28-C87 HydrophobicContact CE3-CB 4.21Å; W28-C87 HydrophobicContact CH2-CB 4.08Å; W28-C87 HydrophobicContact CZ2-CB 4.17Å; W28-C87 HydrophobicContact CZ3-CB 4.08Å
29	V	97	Very high	94.9	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.018	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	144.7	-177.3	-178.6	0	0	0	0	107.5	L37 E38 Y86 M95 W98	V29-L37 HydrophobicContact CG1-CB 3.85Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.39Å; V29-E38 CarbonylContact C-O 3.47Å; V29-E38 VanDerWaalsContact CA-O 3.32Å; V29-E38 WeakPolarHBondContact CA-O 3.44Å; V29-E38 WeakPolarHBondContact CG1-O 3.32Å; V29-Y86 PolarHBondContact N-O 3.45Å; V29-Y86 PolarHBondContact O-N 2.93Å; V29-M95 HydrophobicContact CG2-CE 3.94Å; V29-M95 HydrophobicContact CG2-SD 3.8Å; V29-W98 HydrophobicContact CB-CH2 4.07Å; V29-W98 HydrophobicContact CB-CZ3 3.81Å; V29-W98 HydrophobicContact CG1-CH2 4Å; V29-W98 HydrophobicContact CG1-CZ3 3.94Å; V29-W98 HydrophobicContact CG2-CH2 3.81Å; V29-W98 HydrophobicContact CG2-CZ3 3.96Å
30	R	96.7	Very high	95.3	Very high	12 Å²	12	47.8 Å²	47.8	5%	0.045	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	157.3	170.4	70.3	176.3	-171.3	175	14.9	112	E38 L40 F55 D81 A83 I84 Y85	R30-E38 HydrophobicContact CG-CB 4Å; R30-E38 IonicContact CZ-OE2 2.86Å; R30-E38 PolarHBondContact N-O 2.86Å; R30-E38 IonicContact NE-OE2 2.84Å; R30-E38 PolarHBondContact NE-OE2 2.84Å; R30-E38 IonicContact NH2-OE2 3.36Å; R30-E38 PolarHBondContact NH2-OE2 3.06Å; R30-E38 PolarHBondContact O-N 2.86Å; R30-L40 HydrophobicContact CB-CD1 3.96Å; R30-L40 HydrophobicContact CB-CG 4.46Å; R30-L40 HydrophobicContact CG-CD1 4.09Å; R30-L40 HydrophobicContact CG-CD2 3.99Å; R30-L40 HydrophobicContact CG-CG 4.15Å; R30-F55 VanDerWaalsContact CZ-CZ 3.46Å; R30-F55 VanDerWaalsContact NH2-CE1 3.28Å; R30-D81 IonicContact NH1-OD1 2.96Å; R30-D81 PolarHBondContact NH1-OD1 2.83Å; R30-A83 HydrophobicContact CB-CB 3.91Å; R30-A83 HydrophobicContact CG-CB 4.35Å; R30-I84 CarbonylContact C-O 3.47Å; R30-I84 WeakPolarHBondContact CA-O 3.39Å; R30-Y85 HydrophobicContact CB-CD1 3.96Å; R30-Y85 HydrophobicContact CB-CE1 3.96Å; R30-Y85 HydrophobicContact CB-CG 4.35Å
31	Q	97.4	Very high	95.5	Very high	73 Å²	73	45.3 Å²	45.3	34%	0.341	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	107.9	171.5	-166.4	176.5	21.3	0	0	109.6	K35 L37 A83 I84 Y86	Q31-K35 WeakPolarHBondContact CG-O 3.47Å; Q31-K35 PolarHBondContact NE2-O 2.89Å; Q31-L37 HydrophobicContact CB-CD2 4.03Å; Q31-L37 HydrophobicContact CG-CD2 4.35Å; Q31-A83 VanDerWaalsContact O-CA 3.31Å; Q31-A83 WeakPolarHBondContact O-CA 3.38Å; Q31-A83 WeakPolarHBondContact O-CB 3.3Å; Q31-I84 PolarHBondContact N-O 3.1Å; Q31-I84 PolarHBondContact O-N 3.19Å; Q31-Y86 HydrophobicContact CB-CE2 3.95Å
32	S	96.1	Very high	95.6	Very high	9 Å²	9	45.3 Å²	45.3	6%	0.063	27%	0.267	C	S	.	.			trans	-76.2	153.8	172.5	-61.5	0	0	0	0	110.8	G34 K35 T82	S32-G34 PolarHBondContact O-N 3.42Å; S32-K35 PolarHBondContact O-N 2.94Å; S32-T82 PolarHBondContact OG-O 3.22Å
33	P	94.3	Very high	95.8	Very high	104 Å²	104	41.8 Å²	41.8	68%	0.675	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	127	176.4	-26	34.8	0	0	0	112	K35 T82	P33-K35 PolarHBondContact O-N 3.07Å; P33-T82 WeakPolarHBondContact CD-O 3.24Å
34	G	94.4	Very high	95.9	Very high	93 Å²	93	42.2 Å²	42.2	96%	0.959	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.8	5.9	-179.9	0	0	0	0	0	115.7	S32	S32-G34 PolarHBondContact O-N 3.42Å
35	K	94.6	Very high	96	Very high	116 Å²	116	46 Å²	46	50%	0.504	25%	0.252	S	S	.	.			trans	-113.1	162.7	177.5	-61.2	-168.3	-176.9	174.6	0	112.4	Q31 S32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.47Å; Q31-K35 PolarHBondContact NE2-O 2.89Å; S32-K35 PolarHBondContact O-N 2.94Å; P33-K35 PolarHBondContact O-N 3.07Å
36	G	94.8	Very high	96	Very high	53 Å²	53	49.4 Å²	49.4	55%	0.546	29%	0.287	S	S	.	.			trans	-72.1	-178.8	171.3	0	0	0	0	0	112.9
37	L	95.4	Very high	96	Very high	101 Å²	101	51 Å²	51	53%	0.529	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	128.4	174.5	-66.4	172.9	0	0	0	110.7	V29 Q31 Y86 W98	V29-L37 HydrophobicContact CG1-CB 3.85Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.39Å; Q31-L37 HydrophobicContact CB-CD2 4.03Å; Q31-L37 HydrophobicContact CG-CD2 4.35Å; L37-Y86 HydrophobicContact CD2-CE2 4.47Å; L37-W98 HydrophobicContact CD1-CH2 3.94Å; L37-W98 HydrophobicContact CD1-CZ3 4.42Å; L37-W98 HydrophobicContact CD2-CZ3 4.49Å
38	E	95.9	Very high	96	Very high	51 Å²	51	53.7 Å²	53.7	24%	0.238	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	118.4	176.8	-68.1	179.3	178.9	0	0	109.8	V29 R30	V29-E38 CarbonylContact C-O 3.47Å; V29-E38 VanDerWaalsContact CA-O 3.32Å; V29-E38 WeakPolarHBondContact CA-O 3.44Å; V29-E38 WeakPolarHBondContact CG1-O 3.32Å; R30-E38 HydrophobicContact CG-CB 4Å; R30-E38 IonicContact CZ-OE2 2.86Å; R30-E38 PolarHBondContact N-O 2.86Å; R30-E38 IonicContact NE-OE2 2.84Å; R30-E38 PolarHBondContact NE-OE2 2.84Å; R30-E38 IonicContact NH2-OE2 3.36Å; R30-E38 PolarHBondContact NH2-OE2 3.06Å; R30-E38 PolarHBondContact O-N 2.86Å
39	W	96	Very high	96	Very high	85 Å²	85	55.7 Å²	55.7	32%	0.322	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	132.6	174.9	179.4	71.8	0	0	0	111	H27 G41 V42 D50 N52	H27-W39 AromaticContact CG-NE1 3.94Å; H27-W39 AromaticContact ND1-CD1 3.74Å; H27-W39 AromaticContact ND1-NE1 3.07Å; H27-W39 PolarHBondContact ND1-NE1 2.9Å; W39-G41 VanDerWaalsContact CE2-C 3.5Å; W39-G41 PolarHBondContact NE1-O 3.16Å; W39-V42 HydrophobicContact CZ2-CB 4.09Å; W39-V42 HydrophobicContact CZ2-CG1 3.92Å; W39-D50 HydrophobicContact CH2-CB 4.11Å; W39-N52 HydrophobicContact CE3-CB 3.9Å; W39-N52 HydrophobicContact CZ3-CB 4.01Å; W39-N52 VanDerWaalsContact O-CB 3.29Å; W39-N52 WeakPolarHBondContact O-CB 3.3Å; W39-N52 PolarHBondContact O-ND2 2.64Å
40	L	96.9	Very high	96	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-38.9	-176.6	-64	176.8	0	0	0	112.9	W28 R30 N52 F55 L59 F72 Y85	W28-L40 HydrophobicContact CB-CB 4.25Å; W28-L40 WeakPolarHBondContact O-CB 3.45Å; W28-L40 PolarHBondContact O-N 2.91Å; R30-L40 HydrophobicContact CB-CD1 3.96Å; R30-L40 HydrophobicContact CB-CG 4.46Å; R30-L40 HydrophobicContact CG-CD1 4.09Å; R30-L40 HydrophobicContact CG-CD2 3.99Å; R30-L40 HydrophobicContact CG-CG 4.15Å; L40-N52 PolarHBondContact O-N 2.94Å; L40-F55 HydrophobicContact CD2-CD1 4.25Å; L40-F55 HydrophobicContact CD2-CD2 3.71Å; L40-F55 HydrophobicContact CD2-CE1 4.39Å; L40-F55 HydrophobicContact CD2-CE2 3.84Å; L40-F55 HydrophobicContact CD2-CG 3.92Å; L40-F55 HydrophobicContact CD2-CZ 4.2Å; L40-L59 HydrophobicContact CB-CD1 4.03Å; L40-F72 HydrophobicContact CB-CE2 4.31Å; L40-F72 HydrophobicContact CD1-CE2 3.82Å; L40-F72 HydrophobicContact CD1-CZ 3.69Å; L40-Y85 HydrophobicContact CD1-CD1 3.83Å; L40-Y85 HydrophobicContact CD1-CE1 3.75Å
41	G	96.8	Very high	96	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.5	177.3	-176.4	0	0	0	0	0	112.6	H27 W28 W39 D50	H27-G41 CarbonylContact C-O 3.54Å; H27-G41 WeakPolarHBondContact CA-O 3.44Å; W28-G41 PolarHBondContact N-O 2.93Å; W28-G41 PolarHBondContact O-N 2.81Å; W39-G41 VanDerWaalsContact CE2-C 3.5Å; W39-G41 PolarHBondContact NE1-O 3.16Å; G41-D50 CarbonylContact C-O 3.6Å; G41-D50 WeakPolarHBondContact CA-O 3.43Å
42	V	96.8	Very high	95.9	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.006	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	146.3	176.8	65.2	0	0	0	0	109.4	V26 W39 W44 T49 D50	V26-V42 WeakPolarHBondContact O-CA 3.46Å; V26-V42 WeakPolarHBondContact O-CG2 3.29Å; W39-V42 HydrophobicContact CZ2-CB 4.09Å; W39-V42 HydrophobicContact CZ2-CG1 3.92Å; V42-W44 HydrophobicContact CG1-CD2 4.27Å; V42-W44 HydrophobicContact CG1-CH2 4.38Å; V42-W44 HydrophobicContact CG1-CZ2 3.65Å; V42-W44 HydrophobicContact CG2-CD2 4.26Å; V42-W44 HydrophobicContact CG2-CE3 4.27Å; V42-W44 HydrophobicContact CG2-CH2 4.42Å; V42-W44 HydrophobicContact CG2-CZ2 4.4Å; V42-W44 HydrophobicContact CG2-CZ3 4.34Å; V42-T49 VanDerWaalsContact O-CA 3.22Å; V42-T49 WeakPolarHBondContact O-CA 3.32Å; V42-D50 HydrophobicContact CG1-CB 3.94Å; V42-D50 PolarHBondContact N-O 2.7Å; V42-D50 PolarHBondContact O-N 3.18Å; V42-D50 VanDerWaalsContact O-N 3.08Å
43	I	97.6	Very high	95.8	Very high	6 Å²	6	63.8 Å²	63.8	3%	0.031	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.7	160.5	-170.7	162.5	0	0	0	109.2	G25 V26 S48 T49 I61 K63 V70	G25-I43 CarbonylContact C-O 3.53Å; G25-I43 WeakPolarHBondContact CA-O 3.5Å; V26-I43 HydrophobicContact CB-CG2 4.43Å; V26-I43 PolarHBondContact N-O 3.02Å; V26-I43 PolarHBondContact O-N 3.1Å; I43-S48 WeakPolarHBondContact CA-O 3.49Å; I43-T49 HydrophobicContact CB-CG2 4.03Å; I43-T49 HydrophobicContact CD1-CG2 4.05Å; I43-T49 HydrophobicContact CG1-CG2 3.86Å; I43-I61 HydrophobicContact CB-CG2 3.7Å; I43-I61 HydrophobicContact CD1-CG2 4.46Å; I43-I61 HydrophobicContact CG2-CG2 3.72Å; I43-K63 HydrophobicContact CD1-CB 3.97Å; I43-K63 HydrophobicContact CD1-CD 3.86Å; I43-K63 HydrophobicContact CD1-CG 3.7Å; I43-K63 HydrophobicContact CG1-CD 4.03Å; I43-K63 HydrophobicContact CG1-CG 4.43Å; I43-K63 HydrophobicContact CG2-CD 4.42Å; I43-V70 HydrophobicContact CG2-CG1 3.74Å; I43-V70 HydrophobicContact CG2-CG2 4.46Å
44	W	96.4	Very high	95.7	Very high	68 Å²	68	62.3 Å²	62.3	26%	0.258	39%	0.388	S	S	.	.			trans	-78.6	164.6	-179	-62.1	109.4	0	0	0	111.4	V42 G46 G47 S48 D50 K63 Y90	V42-W44 HydrophobicContact CG1-CD2 4.27Å; V42-W44 HydrophobicContact CG1-CH2 4.38Å; V42-W44 HydrophobicContact CG1-CZ2 3.65Å; V42-W44 HydrophobicContact CG2-CD2 4.26Å; V42-W44 HydrophobicContact CG2-CE3 4.27Å; V42-W44 HydrophobicContact CG2-CH2 4.42Å; V42-W44 HydrophobicContact CG2-CZ2 4.4Å; V42-W44 HydrophobicContact CG2-CZ3 4.34Å; W44-G46 PolarHBondContact O-N 2.9Å; W44-G46 VanDerWaalsContact O-N 3.1Å; W44-G47 PolarHBondContact O-N 2.99Å; W44-S48 PolarHBondContact N-O 3.05Å; W44-D50 PolarHBondContact NE1-OD2 2.83Å; W44-K63 WeakPolarHBondContact O-CE 3.24Å; W44-Y90 HydrophobicContact CE3-CD1 4.46Å; W44-Y90 HydrophobicContact CH2-CD2 4.27Å; W44-Y90 HydrophobicContact CH2-CE2 4.07Å; W44-Y90 AromaticContact CZ3-CD1 3.74Å; W44-Y90 HydrophobicContact CZ3-CD1 3.74Å; W44-Y90 AromaticContact CZ3-CD2 3.9Å; W44-Y90 HydrophobicContact CZ3-CD2 3.9Å; W44-Y90 AromaticContact CZ3-CE1 3.82Å; W44-Y90 HydrophobicContact CZ3-CE1 3.82Å; W44-Y90 AromaticContact CZ3-CE2 3.95Å; W44-Y90 HydrophobicContact CZ3-CE2 3.95Å; W44-Y90 AromaticContact CZ3-CG 3.76Å; W44-Y90 HydrophobicContact CZ3-CG 3.76Å; W44-Y90 AromaticContact CZ3-CZ 3.92Å
45	R	94.3	Very high	95.5	Very high	171 Å²	171	58.9 Å²	58.9	65%	0.645	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-35.6	178.4	72.3	-177.8	-177.4	-153	-0.9	113.1	S23 G47 K63	S23-R45 WeakPolarHBondContact O-CD 3.22Å; R45-G47 VanDerWaalsContact C-N 3.28Å; R45-G47 PolarHBondContact O-N 3.17Å; R45-K63 PolarHBondContact O-NZ 3.45Å
46	G	94.4	Very high	95.4	Very high	73 Å²	73	58.9 Å²	58.9	75%	0.753	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-5.7	178.2	0	0	0	0	0	114.7	W44	W44-G46 PolarHBondContact O-N 2.9Å; W44-G46 VanDerWaalsContact O-N 3.1Å
47	G	95.5	Very high	95.3	Very high	34 Å²	34	61.8 Å²	61.8	35%	0.351	36%	0.361	S	S	.	.	S	Bend	trans	91.7	-6.3	179.4	0	0	0	0	0	115.1	W44 R45	W44-G47 PolarHBondContact O-N 2.99Å; R45-G47 VanDerWaalsContact C-N 3.28Å; R45-G47 PolarHBondContact O-N 3.17Å
48	S	96.7	Very high	95.3	Very high	72 Å²	72	58.2 Å²	58.2	50%	0.503	34%	0.341	S	S	.	.			trans	-65.2	151.3	169.3	53.1	0	0	0	0	111.2	I43 W44	I43-S48 WeakPolarHBondContact CA-O 3.49Å; W44-S48 PolarHBondContact N-O 3.05Å
49	T	97.7	Very high	95.3	Very high	44 Å²	44	56.4 Å²	56.4	27%	0.27	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138.2	-177.3	55.2	0	0	0	0	111.8	V42 I43 Y51 I61	V42-T49 VanDerWaalsContact O-CA 3.22Å; V42-T49 WeakPolarHBondContact O-CA 3.32Å; I43-T49 HydrophobicContact CB-CG2 4.03Å; I43-T49 HydrophobicContact CD1-CG2 4.05Å; I43-T49 HydrophobicContact CG1-CG2 3.86Å; T49-Y51 VanDerWaalsContact OG1-CE2 3.26Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.43Å; T49-Y51 PolarHBondContact OG1-OH 2.9Å; T49-I61 HydrophobicContact CG2-CB 4.38Å
50	D	96.6	Very high	95.3	Very high	79 Å²	79	54.7 Å²	54.7	42%	0.422	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	146.9	165.5	-57.9	-50.4	0	0	0	109.8	W39 G41 V42 W44	W39-D50 HydrophobicContact CH2-CB 4.11Å; G41-D50 CarbonylContact C-O 3.6Å; G41-D50 WeakPolarHBondContact CA-O 3.43Å; V42-D50 HydrophobicContact CG1-CB 3.94Å; V42-D50 PolarHBondContact N-O 2.7Å; V42-D50 PolarHBondContact O-N 3.18Å; V42-D50 VanDerWaalsContact O-N 3.08Å; W44-D50 PolarHBondContact NE1-OD2 2.83Å
51	Y	96.9	Very high	95.4	Very high	50 Å²	50	55 Å²	55	20%	0.196	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	151.3	-177.4	-60.8	-81.6	0	0	0	110.5	T49 A53 M56 L59 I61	T49-Y51 VanDerWaalsContact OG1-CE2 3.26Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.43Å; T49-Y51 PolarHBondContact OG1-OH 2.9Å; Y51-A53 PolarHBondContact O-N 3.04Å; Y51-M56 HydrophobicContact CD2-CG 4.1Å; Y51-M56 HydrophobicContact CG-CB 4.47Å; Y51-M56 HydrophobicContact CG-CG 4.15Å; Y51-L59 HydrophobicContact CD1-CB 3.79Å; Y51-L59 HydrophobicContact CD1-CD1 4.23Å; Y51-L59 HydrophobicContact CE1-CB 3.9Å; Y51-I61 HydrophobicContact CD1-CD1 4.17Å; Y51-I61 HydrophobicContact CE1-CB 4.39Å; Y51-I61 HydrophobicContact CE1-CD1 3.77Å; Y51-I61 HydrophobicContact CE1-CG1 3.9Å; Y51-I61 PolarHBondContact OH-N 3.45Å
52	N	95.9	Very high	95.5	Very high	48 Å²	48	58.3 Å²	58.3	26%	0.257	36%	0.356	S	S	.	.			trans	-68.4	127.6	162.7	-178.6	-32.7	0	0	0	109	W39 L40 A54 F55 M56	W39-N52 HydrophobicContact CE3-CB 3.9Å; W39-N52 HydrophobicContact CZ3-CB 4.01Å; W39-N52 VanDerWaalsContact O-CB 3.29Å; W39-N52 WeakPolarHBondContact O-CB 3.3Å; W39-N52 PolarHBondContact O-ND2 2.64Å; L40-N52 PolarHBondContact O-N 2.94Å; N52-A54 PolarHBondContact O-N 3.29Å; N52-A54 VanDerWaalsContact O-N 3.1Å; N52-A54 WeakPolarHBondContact OD1-CB 3.47Å; N52-A54 PolarHBondContact OD1-N 2.91Å; N52-F55 HydrophobicContact CB-CD2 3.96Å; N52-F55 PolarHBondContact O-N 3.21Å; N52-M56 PolarHBondContact O-N 2.9Å
53	A	94.7	Very high	95.5	Very high	91 Å²	91	60.3 Å²	60.3	75%	0.752	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-32.9	-176.3	0	0	0	0	0	113.3	Y51 F55	Y51-A53 PolarHBondContact O-N 3.04Å; A53-F55 PolarHBondContact O-N 3.44Å
54	A	91.6	Very high	95.4	Very high	73 Å²	73	62.1 Å²	62.1	60%	0.603	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-23	179.1	0	0	0	0	0	113.7	N52	N52-A54 PolarHBondContact O-N 3.29Å; N52-A54 VanDerWaalsContact O-N 3.1Å; N52-A54 WeakPolarHBondContact OD1-CB 3.47Å; N52-A54 PolarHBondContact OD1-N 2.91Å
55	F	90.2	Very high	95.4	Very high	20 Å²	20	62.2 Å²	62.2	9%	0.088	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-12.8	-174.2	-55.7	-80.9	0	0	0	113.6	R30 L40 N52 A53 S57 R58 L59 M74	R30-F55 VanDerWaalsContact CZ-CZ 3.46Å; R30-F55 VanDerWaalsContact NH2-CE1 3.28Å; L40-F55 HydrophobicContact CD2-CD1 4.25Å; L40-F55 HydrophobicContact CD2-CD2 3.71Å; L40-F55 HydrophobicContact CD2-CE1 4.39Å; L40-F55 HydrophobicContact CD2-CE2 3.84Å; L40-F55 HydrophobicContact CD2-CG 3.92Å; L40-F55 HydrophobicContact CD2-CZ 4.2Å; N52-F55 HydrophobicContact CB-CD2 3.96Å; N52-F55 PolarHBondContact O-N 3.21Å; A53-F55 PolarHBondContact O-N 3.44Å; F55-S57 PolarHBondContact O-N 3.1Å; F55-R58 PolarHBondContact O-N 2.76Å; F55-L59 HydrophobicContact CB-CD1 3.4Å; F55-L59 HydrophobicContact CB-CG 3.76Å; F55-L59 HydrophobicContact CG-CD1 4.4Å; F55-L59 WeakPolarHBondContact O-CG 3.4Å; F55-L59 PolarHBondContact O-N 3.07Å; F55-M74 HydrophobicContact CD1-CE 4.16Å
56	M	91.9	Very high	95.5	Very high	117 Å²	117	59 Å²	59	58%	0.576	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-35.5	-170.4	-178	178	177.1	0	0	114.2	Y51 N52 R58	Y51-M56 HydrophobicContact CD2-CG 4.1Å; Y51-M56 HydrophobicContact CG-CB 4.47Å; Y51-M56 HydrophobicContact CG-CG 4.15Å; N52-M56 PolarHBondContact O-N 2.9Å; M56-R58 PolarHBondContact O-N 3.02Å
57	S	94.1	Very high	95.5	Very high	113 Å²	113	61.4 Å²	61.4	79%	0.79	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-18.8	-179.5	60.1	0	0	0	0	114.2	F55	F55-S57 PolarHBondContact O-N 3.1Å
58	R	95.2	Very high	95.6	Very high	26 Å²	26	61.9 Å²	61.9	10%	0.098	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-13	-174.8	-59.7	-168.8	-60.2	124.3	-1.9	113.4	F55 M56 M74 N75 S76 D81	F55-R58 PolarHBondContact O-N 2.76Å; M56-R58 PolarHBondContact O-N 3.02Å; R58-M74 HydrophobicContact CB-CG 4.42Å; R58-M74 WeakPolarHBondContact O-CA 3.44Å; R58-N75 PolarHBondContact NH1-O 2.85Å; R58-N75 PolarHBondContact O-N 2.75Å; R58-S76 PolarHBondContact NH1-O 2.97Å; R58-D81 IonicContact CZ-OD1 3.85Å; R58-D81 IonicContact CZ-OD2 3.39Å; R58-D81 IonicContact NH1-OD1 3.84Å; R58-D81 IonicContact NH1-OD2 2.7Å; R58-D81 PolarHBondContact NH1-OD2 2.82Å; R58-D81 IonicContact NH2-OD1 2.9Å; R58-D81 PolarHBondContact NH2-OD1 2.82Å; R58-D81 IonicContact NH2-OD2 3.17Å; R58-D81 PolarHBondContact NH2-OD2 2.84Å
59	L	95.3	Very high	95.6	Very high	14 Å²	14	60.8 Å²	60.8	7%	0.073	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	147	-173.4	-69.4	-174.6	0	0	0	113.4	L40 Y51 F55 F72 K73 M74	L40-L59 HydrophobicContact CB-CD1 4.03Å; Y51-L59 HydrophobicContact CD1-CB 3.79Å; Y51-L59 HydrophobicContact CD1-CD1 4.23Å; Y51-L59 HydrophobicContact CE1-CB 3.9Å; F55-L59 HydrophobicContact CB-CD1 3.4Å; F55-L59 HydrophobicContact CB-CG 3.76Å; F55-L59 HydrophobicContact CG-CD1 4.4Å; F55-L59 WeakPolarHBondContact O-CG 3.4Å; F55-L59 PolarHBondContact O-N 3.07Å; L59-F72 HydrophobicContact CD1-CE2 4.13Å; L59-F72 HydrophobicContact CD2-CD2 4.41Å; L59-F72 HydrophobicContact CD2-CE1 4.25Å; L59-F72 HydrophobicContact CD2-CE2 3.37Å; L59-F72 HydrophobicContact CD2-CZ 3.28Å; L59-F72 HydrophobicContact CG-CE2 4.32Å; L59-K73 CarbonylContact C-O 3.52Å; L59-K73 WeakPolarHBondContact CA-O 3.39Å; L59-M74 HydrophobicContact CD2-CB 3.79Å; L59-M74 HydrophobicContact CD2-CE 3.43Å; L59-M74 VanDerWaalsContact CD2-CE 3.43Å; L59-M74 HydrophobicContact CD2-CG 3.9Å; L59-M74 HydrophobicContact CD2-SD 4.49Å; L59-M74 HydrophobicContact CG-CE 4.36Å
60	S	96.9	Very high	95.6	Very high	49 Å²	49	58.7 Å²	58.7	34%	0.343	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	127.3	165.7	179.8	0	0	0	0	109.3	K73	S60-K73 PolarHBondContact N-O 2.84Å; S60-K73 PolarHBondContact O-N 2.86Å
61	I	98	Very high	95.6	Very high	5 Å²	5	57.3 Å²	57.3	3%	0.026	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.1	175.3	-57.6	162	0	0	0	108.3	I43 T49 Y51 V70 F71 F72	I43-I61 HydrophobicContact CB-CG2 3.7Å; I43-I61 HydrophobicContact CD1-CG2 4.46Å; I43-I61 HydrophobicContact CG2-CG2 3.72Å; T49-I61 HydrophobicContact CG2-CB 4.38Å; Y51-I61 HydrophobicContact CD1-CD1 4.17Å; Y51-I61 HydrophobicContact CE1-CB 4.39Å; Y51-I61 HydrophobicContact CE1-CD1 3.77Å; Y51-I61 HydrophobicContact CE1-CG1 3.9Å; Y51-I61 PolarHBondContact OH-N 3.45Å; I61-V70 HydrophobicContact CG2-CG1 3.97Å; I61-F71 WeakPolarHBondContact CA-O 3.32Å; I61-F72 HydrophobicContact CG1-CD2 4.08Å
62	T	97.8	Very high	95.7	Very high	70 Å²	70	54.9 Å²	54.9	43%	0.429	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	166.5	176.5	66	0	0	0	0	110.5	V70 F71	T62-V70 CarbonylContact O-C 3.59Å; T62-V70 WeakPolarHBondContact O-CA 3.07Å; T62-V70 WeakPolarHBondContact O-CG1 3.22Å; T62-F71 PolarHBondContact N-O 3.38Å; T62-F71 PolarHBondContact O-N 3.01Å
63	K	97.2	Very high	95.7	Very high	44 Å²	44	57.1 Å²	57.1	19%	0.191	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	148.5	176.6	70	-175	-177.8	116.9	0	112.5	L21 I43 W44 R45 N65 Q69 V70	L21-K63 HydrophobicContact CD1-CB 4.4Å; L21-K63 PolarHBondContact O-NZ 2.93Å; I43-K63 HydrophobicContact CD1-CB 3.97Å; I43-K63 HydrophobicContact CD1-CD 3.86Å; I43-K63 HydrophobicContact CD1-CG 3.7Å; I43-K63 HydrophobicContact CG1-CD 4.03Å; I43-K63 HydrophobicContact CG1-CG 4.43Å; I43-K63 HydrophobicContact CG2-CD 4.42Å; W44-K63 WeakPolarHBondContact O-CE 3.24Å; R45-K63 PolarHBondContact O-NZ 3.45Å; K63-N65 PolarHBondContact NZ-OD1 2.88Å; K63-Q69 CarbonylContact C-O 3.3Å; K63-Q69 WeakPolarHBondContact CA-O 3.39Å; K63-V70 HydrophobicContact CB-CG2 4.11Å
64	D	97	Very high	95.7	Very high	43 Å²	43	52.8 Å²	52.8	23%	0.23	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	102.5	169.5	-175.6	-16.7	0	0	0	108.3	S66 K67 S68 Q69 F71	D64-S66 PolarHBondContact O-N 3.31Å; D64-S66 WeakPolarHBondContact OD1-CB 3.5Å; D64-S66 PolarHBondContact OD1-N 3.08Å; D64-S66 PolarHBondContact OD1-OG 2.94Å; D64-K67 HydrophobicContact CB-CB 4.35Å; D64-K67 PolarHBondContact O-N 2.72Å; D64-K67 PolarHBondContact OD1-N 3.27Å; D64-K67 WeakPolarHBondContact OD2-CD 3.4Å; D64-K67 VanDerWaalsContact OD2-CE 3.26Å; D64-K67 WeakPolarHBondContact OD2-CE 3.41Å; D64-K67 WeakPolarHBondContact OD2-CG 3.14Å; D64-K67 IonicContact OD2-NZ 3.5Å; D64-K67 PolarHBondContact OD2-NZ 2.87Å; D64-S68 PolarHBondContact O-N 2.85Å; D64-S68 VanDerWaalsContact O-N 3.1Å; D64-Q69 PolarHBondContact N-O 3.06Å; D64-Q69 PolarHBondContact O-N 3.23Å; D64-F71 HydrophobicContact CB-CE2 3.88Å
65	N	95.9	Very high	95.9	Very high	71 Å²	71	52 Å²	52	38%	0.38	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-32.2	-179.7	-61.3	-24.6	0	0	0	111.6	L21 T22 K63 K67 S68	L21-N65 WeakPolarHBondContact CB-OD1 3.31Å; T22-N65 HydrophobicContact CG2-CB 4.23Å; K63-N65 PolarHBondContact NZ-OD1 2.88Å; N65-K67 VanDerWaalsContact C-N 3.25Å; N65-K67 PolarHBondContact O-N 3.37Å; N65-S68 PolarHBondContact O-N 2.89Å
66	S	95	Very high	96	Very high	104 Å²	104	54.2 Å²	54.2	73%	0.727	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-29.5	-177.6	74.3	0	0	0	0	112.2	D64	D64-S66 PolarHBondContact O-N 3.31Å; D64-S66 WeakPolarHBondContact OD1-CB 3.5Å; D64-S66 PolarHBondContact OD1-N 3.08Å; D64-S66 PolarHBondContact OD1-OG 2.94Å
67	K	96.3	Very high	96.1	Very high	123 Å²	123	48.9 Å²	48.9	54%	0.535	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-2.6	177.4	-62.6	-179.6	-169.4	161.5	0	113.4	D64 N65 Q69	D64-K67 HydrophobicContact CB-CB 4.35Å; D64-K67 PolarHBondContact O-N 2.72Å; D64-K67 PolarHBondContact OD1-N 3.27Å; D64-K67 WeakPolarHBondContact OD2-CD 3.4Å; D64-K67 VanDerWaalsContact OD2-CE 3.26Å; D64-K67 WeakPolarHBondContact OD2-CE 3.41Å; D64-K67 WeakPolarHBondContact OD2-CG 3.14Å; D64-K67 IonicContact OD2-NZ 3.5Å; D64-K67 PolarHBondContact OD2-NZ 2.87Å; N65-K67 VanDerWaalsContact C-N 3.25Å; N65-K67 PolarHBondContact O-N 3.37Å; K67-Q69 HydrophobicContact CB-CB 4.22Å; K67-Q69 HydrophobicContact CB-CG 4.12Å; K67-Q69 WeakPolarHBondContact O-CG 3.41Å; K67-Q69 PolarHBondContact O-N 3.23Å
68	S	95.9	Very high	96.1	Very high	44 Å²	44	48.2 Å²	48.2	31%	0.308	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	44.4	-170.7	-60.5	0	0	0	0	111.8	V16 D64 N65	V16-S68 WeakPolarHBondContact CG2-O 3.44Å; V16-S68 PolarHBondContact N-O 3.32Å; D64-S68 PolarHBondContact O-N 2.85Å; D64-S68 VanDerWaalsContact O-N 3.1Å; N65-S68 PolarHBondContact O-N 2.89Å
69	Q	97.6	Very high	95.9	Very high	48 Å²	48	50 Å²	50	22%	0.224	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.3	-176.3	-77.7	174.6	-9.8	0	0	112.3	T13 C14 T15 L21 K63 D64 K67 F71	T13-Q69 HydrophobicContact CG2-CB 4.14Å; T13-Q69 HydrophobicContact CG2-CG 3.85Å; C14-Q69 WeakPolarHBondContact O-CA 3.33Å; T15-Q69 HydrophobicContact CG2-CG 4.38Å; T15-Q69 PolarHBondContact OG1-NE2 3.26Å; L21-Q69 WeakPolarHBondContact CD1-O 3.26Å; K63-Q69 CarbonylContact C-O 3.3Å; K63-Q69 WeakPolarHBondContact CA-O 3.39Å; D64-Q69 PolarHBondContact N-O 3.06Å; D64-Q69 PolarHBondContact O-N 3.23Å; K67-Q69 HydrophobicContact CB-CB 4.22Å; K67-Q69 HydrophobicContact CB-CG 4.12Å; K67-Q69 WeakPolarHBondContact O-CG 3.41Å; K67-Q69 PolarHBondContact O-N 3.23Å; Q69-F71 HydrophobicContact CB-CE1 4.28Å; Q69-F71 HydrophobicContact CB-CE2 3.97Å; Q69-F71 HydrophobicContact CB-CZ 3.67Å
70	V	97.6	Very high	95.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.8	169.1	-178.1	0	0	0	0	108	C14 L21 V26 W28 I43 I61 T62 K63	C14-V70 HydrophobicContact CB-CB 4.43Å; C14-V70 PolarHBondContact N-O 3.25Å; C14-V70 PolarHBondContact O-N 2.96Å; L21-V70 HydrophobicContact CD1-CG2 3.86Å; L21-V70 HydrophobicContact CD2-CG2 3.64Å; L21-V70 HydrophobicContact CG-CG2 4.43Å; V26-V70 HydrophobicContact CB-CG1 4.45Å; V26-V70 HydrophobicContact CB-CG2 3.99Å; V26-V70 HydrophobicContact CG1-CB 4.45Å; V26-V70 HydrophobicContact CG1-CG1 4.4Å; V26-V70 HydrophobicContact CG1-CG2 4.27Å; V26-V70 HydrophobicContact CG2-CG2 3.87Å; W28-V70 HydrophobicContact CZ2-CG1 4.22Å; I43-V70 HydrophobicContact CG2-CG1 3.74Å; I43-V70 HydrophobicContact CG2-CG2 4.46Å; I61-V70 HydrophobicContact CG2-CG1 3.97Å; T62-V70 CarbonylContact O-C 3.59Å; T62-V70 WeakPolarHBondContact O-CA 3.07Å; T62-V70 WeakPolarHBondContact O-CG1 3.22Å; K63-V70 HydrophobicContact CB-CG2 4.11Å
71	F	97.6	Very high	95.7	Very high	50 Å²	50	52.7 Å²	52.7	22%	0.219	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.2	-178.7	-52.1	-84.7	0	0	0	109.3	I12 T13 I61 T62 D64 Q69	I12-F71 WeakPolarHBondContact O-CA 3.39Å; T13-F71 HydrophobicContact CG2-CD1 3.99Å; T13-F71 HydrophobicContact CG2-CE1 3.7Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.3Å; I61-F71 WeakPolarHBondContact CA-O 3.32Å; T62-F71 PolarHBondContact N-O 3.38Å; T62-F71 PolarHBondContact O-N 3.01Å; D64-F71 HydrophobicContact CB-CE2 3.88Å; Q69-F71 HydrophobicContact CB-CE1 4.28Å; Q69-F71 HydrophobicContact CB-CE2 3.97Å; Q69-F71 HydrophobicContact CB-CZ 3.67Å
72	F	97.3	Very high	95.6	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124	172	170.4	-89.9	0	0	0	108.8	L10 S11 I12 W28 L40 L59 I61 M74 Y85	L10-F72 HydrophobicContact CD2-CE1 4.33Å; S11-F72 CarbonylContact C-O 3.5Å; S11-F72 WeakPolarHBondContact CA-O 3.26Å; I12-F72 HydrophobicContact CB-CD1 4.49Å; I12-F72 HydrophobicContact CD1-CD1 4.31Å; I12-F72 HydrophobicContact CG1-CD1 4.4Å; I12-F72 PolarHBondContact N-O 2.83Å; I12-F72 PolarHBondContact O-N 2.89Å; W28-F72 HydrophobicContact CB-CD2 3.96Å; W28-F72 HydrophobicContact CB-CE2 4.23Å; W28-F72 HydrophobicContact CD2-CB 3.57Å; W28-F72 AromaticContact CD2-CD2 3.88Å; W28-F72 HydrophobicContact CD2-CD2 3.88Å; W28-F72 AromaticContact CD2-CG 3.91Å; W28-F72 HydrophobicContact CD2-CG 3.91Å; W28-F72 HydrophobicContact CE3-CB 3.89Å; W28-F72 HydrophobicContact CE3-CD2 4.32Å; W28-F72 HydrophobicContact CE3-CG 4.07Å; W28-F72 HydrophobicContact CG-CB 4.16Å; W28-F72 AromaticContact CG-CD2 3.69Å; W28-F72 HydrophobicContact CG-CD2 3.69Å; W28-F72 HydrophobicContact CG-CE2 4.44Å; W28-F72 HydrophobicContact CG-CG 4.22Å; W28-F72 HydrophobicContact CH2-CB 3.77Å; W28-F72 HydrophobicContact CZ2-CB 3.48Å; W28-F72 VanDerWaalsContact CZ2-CB 3.48Å; W28-F72 HydrophobicContact CZ3-CB 3.98Å; W28-F72 HydrophobicContact CZ3-CG 4.47Å; L40-F72 HydrophobicContact CB-CE2 4.31Å; L40-F72 HydrophobicContact CD1-CE2 3.82Å; L40-F72 HydrophobicContact CD1-CZ 3.69Å; L59-F72 HydrophobicContact CD1-CE2 4.13Å; L59-F72 HydrophobicContact CD2-CD2 4.41Å; L59-F72 HydrophobicContact CD2-CE1 4.25Å; L59-F72 HydrophobicContact CD2-CE2 3.37Å; L59-F72 HydrophobicContact CD2-CZ 3.28Å; L59-F72 HydrophobicContact CG-CE2 4.32Å; I61-F72 HydrophobicContact CG1-CD2 4.08Å; F72-M74 HydrophobicContact CE1-CB 3.97Å; F72-M74 HydrophobicContact CZ-CB 4.21Å; F72-M74 HydrophobicContact CZ-CE 4.03Å; F72-Y85 AromaticContact CE1-CD1 3.91Å; F72-Y85 HydrophobicContact CE1-CD1 3.91Å; F72-Y85 AromaticContact CE1-CE1 3.89Å; F72-Y85 HydrophobicContact CE1-CE1 3.89Å; F72-Y85 HydrophobicContact CZ-CD1 4.15Å; F72-Y85 AromaticContact CZ-CE1 3.98Å; F72-Y85 HydrophobicContact CZ-CE1 3.98Å
73	K	96.5	Very high	95.6	Very high	95 Å²	95	50.9 Å²	50.9	41%	0.413	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.4	174.8	-168.6	-179.3	-175.5	-171.2	0	109.6	L10 L59 S60 N75	L10-K73 CarbonylContact O-C 3.42Å; L10-K73 VanDerWaalsContact O-CA 3.25Å; L10-K73 WeakPolarHBondContact O-CA 3.47Å; L10-K73 WeakPolarHBondContact O-CG 3.38Å; L59-K73 CarbonylContact C-O 3.52Å; L59-K73 WeakPolarHBondContact CA-O 3.39Å; S60-K73 PolarHBondContact N-O 2.84Å; S60-K73 PolarHBondContact O-N 2.86Å; K73-N75 WeakPolarHBondContact CE-OD1 3.27Å
74	M	95.6	Very high	95.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.3	170.2	-176.8	-179.1	-80.8	0	0	108.7	S9 L10 F55 R58 L59 F72 L77 D81	S9-M74 CarbonylContact C-O 3.57Å; S9-M74 VanDerWaalsContact CA-O 3.27Å; S9-M74 WeakPolarHBondContact CA-O 3.18Å; L10-M74 HydrophobicContact CB-CB 4.46Å; L10-M74 PolarHBondContact N-O 3.26Å; L10-M74 PolarHBondContact O-N 2.82Å; F55-M74 HydrophobicContact CD1-CE 4.16Å; R58-M74 HydrophobicContact CB-CG 4.42Å; R58-M74 WeakPolarHBondContact O-CA 3.44Å; L59-M74 HydrophobicContact CD2-CB 3.79Å; L59-M74 HydrophobicContact CD2-CE 3.43Å; L59-M74 VanDerWaalsContact CD2-CE 3.43Å; L59-M74 HydrophobicContact CD2-CG 3.9Å; L59-M74 HydrophobicContact CD2-SD 4.49Å; L59-M74 HydrophobicContact CG-CE 4.36Å; F72-M74 HydrophobicContact CE1-CB 3.97Å; F72-M74 HydrophobicContact CZ-CB 4.21Å; F72-M74 HydrophobicContact CZ-CE 4.03Å; M74-L77 HydrophobicContact CB-CD2 4.26Å; M74-L77 HydrophobicContact CG-CD2 3.99Å; M74-L77 HydrophobicContact SD-CD2 3.68Å; M74-D81 HydrophobicContact SD-CB 4.04Å; M74-D81 VanDerWaalsContact SD-CG 3.51Å
75	N	95	Very high	95.6	Very high	55 Å²	55	49.6 Å²	49.6	29%	0.294	28%	0.275	S	S	.	.			trans	-92.8	160.3	176.2	-55.9	-46.2	0	0	0	110.5	S9 R58 K73 L77	S9-N75 PolarHBondContact OG-OD1 2.03Å; R58-N75 PolarHBondContact NH1-O 2.85Å; R58-N75 PolarHBondContact O-N 2.75Å; K73-N75 WeakPolarHBondContact CE-OD1 3.27Å; N75-L77 PolarHBondContact O-N 2.76Å
76	S	93.2	Very high	95.7	Very high	68 Å²	68	48 Å²	48	48%	0.476	26%	0.263	S	S	.	.	S	Bend	trans	52	57.9	173.9	-55.4	0	0	0	0	112	Q8 R58	Q8-S76 PolarHBondContact O-N 2.79Å; R58-S76 PolarHBondContact NH1-O 2.97Å
77	L	93.3	Very high	95.7	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	23%	0.234	C	C	.	.			trans	-58.6	143.1	179.6	-70	168.5	0	0	0	111.8	V4 P6 S7 Q8 L10 M74 N75 D81 V106	V4-L77 HydrophobicContact CB-CD1 4.02Å; V4-L77 HydrophobicContact CG2-CD1 3.58Å; P6-L77 WeakPolarHBondContact CA-O 3.11Å; S7-L77 PolarHBondContact N-O 3Å; Q8-L77 WeakPolarHBondContact O-CG 3.37Å; Q8-L77 PolarHBondContact O-N 2.9Å; L10-L77 HydrophobicContact CB-CD1 3.85Å; L10-L77 HydrophobicContact CB-CD2 3.9Å; L10-L77 HydrophobicContact CB-CG 4.27Å; L10-L77 HydrophobicContact CD2-CD2 4.39Å; M74-L77 HydrophobicContact CB-CD2 4.26Å; M74-L77 HydrophobicContact CG-CD2 3.99Å; M74-L77 HydrophobicContact SD-CD2 3.68Å; N75-L77 PolarHBondContact O-N 2.76Å; L77-D81 HydrophobicContact CD2-CB 4.04Å; L77-V106 HydrophobicContact CB-CG1 4.05Å; L77-V106 HydrophobicContact CB-CG2 4.28Å; L77-V106 HydrophobicContact CD1-CG2 4.48Å; L77-V106 HydrophobicContact CD2-CG2 4.46Å
78	Q	93.6	Very high	95.7	Very high	100 Å²	100	38 Å²	38	47%	0.467	21%	0.209	S	C	.	.			trans	-118.4	158.9	177.1	-57	176.4	14.1	0	0	109.1	D80 D81 V106	Q78-D80 PolarHBondContact O-N 2.85Å; Q78-D81 PolarHBondContact N-OD2 3.19Å; Q78-D81 VanDerWaalsContact O-CB 3.3Å; Q78-D81 WeakPolarHBondContact O-CB 3.14Å; Q78-D81 PolarHBondContact O-N 2.83Å; Q78-V106 WeakPolarHBondContact O-CB 3.5Å; Q78-V106 WeakPolarHBondContact O-CG1 3.38Å; Q78-V106 WeakPolarHBondContact O-CG2 3.26Å
79	A	92.4	Very high	95.6	Very high	62 Å²	62	37 Å²	37	51%	0.512	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-54.1	-37.9	178	0	0	0	0	0	112.1	D81 T82	A79-D81 PolarHBondContact O-N 2.86Å; A79-D81 VanDerWaalsContact O-N 3.16Å; A79-T82 VanDerWaalsContact O-CB 3.3Å; A79-T82 WeakPolarHBondContact O-CB 3.24Å; A79-T82 PolarHBondContact O-N 3.04Å; A79-T82 PolarHBondContact O-OG1 2.88Å
80	D	92.3	Very high	95.2	Very high	118 Å²	118	38.9 Å²	38.9	63%	0.631	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-67.1	-9.7	177.5	-69.5	-6.5	0	0	0	114.3	Q78 T82	Q78-D80 PolarHBondContact O-N 2.85Å; D80-T82 PolarHBondContact O-N 3.1Å
81	D	94.7	Very high	94.3	Very high	2 Å²	2	39 Å²	39	1%	0.011	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-82.3	0.6	172	-60.5	-43.1	0	0	0	112.6	R30 R58 M74 L77 Q78 A79 A83 Y85 V106	R30-D81 IonicContact NH1-OD1 2.96Å; R30-D81 PolarHBondContact NH1-OD1 2.83Å; R58-D81 IonicContact CZ-OD1 3.85Å; R58-D81 IonicContact CZ-OD2 3.39Å; R58-D81 IonicContact NH1-OD1 3.84Å; R58-D81 IonicContact NH1-OD2 2.7Å; R58-D81 PolarHBondContact NH1-OD2 2.82Å; R58-D81 IonicContact NH2-OD1 2.9Å; R58-D81 PolarHBondContact NH2-OD1 2.82Å; R58-D81 IonicContact NH2-OD2 3.17Å; R58-D81 PolarHBondContact NH2-OD2 2.84Å; M74-D81 HydrophobicContact SD-CB 4.04Å; M74-D81 VanDerWaalsContact SD-CG 3.51Å; L77-D81 HydrophobicContact CD2-CB 4.04Å; Q78-D81 PolarHBondContact N-OD2 3.19Å; Q78-D81 VanDerWaalsContact O-CB 3.3Å; Q78-D81 WeakPolarHBondContact O-CB 3.14Å; Q78-D81 PolarHBondContact O-N 2.83Å; A79-D81 PolarHBondContact O-N 2.86Å; A79-D81 VanDerWaalsContact O-N 3.16Å; D81-A83 PolarHBondContact O-N 2.8Å; D81-Y85 WeakPolarHBondContact O-CE2 3.02Å; D81-Y85 PolarHBondContact O-OH 2.95Å; D81-V106 HydrophobicContact CB-CG2 4.13Å
82	T	96.3	Very high	93.1	Very high	33 Å²	33	42.6 Å²	42.6	20%	0.202	23%	0.227	C	C	.	.			trans	-62.7	114.2	169.3	-64.4	0	0	0	0	110.3	S32 P33 A79 D80 V104 T105 V106	S32-T82 PolarHBondContact OG-O 3.22Å; P33-T82 WeakPolarHBondContact CD-O 3.24Å; A79-T82 VanDerWaalsContact O-CB 3.3Å; A79-T82 WeakPolarHBondContact O-CB 3.24Å; A79-T82 PolarHBondContact O-N 3.04Å; A79-T82 PolarHBondContact O-OG1 2.88Å; D80-T82 PolarHBondContact O-N 3.1Å; T82-V104 WeakPolarHBondContact CA-O 3.47Å; T82-T105 HydrophobicContact CG2-CG2 4.47Å; T82-V106 PolarHBondContact OG1-N 2.8Å
83	A	97.1	Very high	91.7	Very high	4 Å²	4	53.2 Å²	53.2	3%	0.033	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	169.2	-174.8	0	0	0	0	0	111.4	R30 Q31 D81 Y85 V104	R30-A83 HydrophobicContact CB-CB 3.91Å; R30-A83 HydrophobicContact CG-CB 4.35Å; Q31-A83 VanDerWaalsContact O-CA 3.31Å; Q31-A83 WeakPolarHBondContact O-CA 3.38Å; Q31-A83 WeakPolarHBondContact O-CB 3.3Å; D81-A83 PolarHBondContact O-N 2.8Å; A83-Y85 HydrophobicContact CB-CD2 4.32Å; A83-Y85 HydrophobicContact CB-CE2 3.83Å; A83-Y85 WeakPolarHBondContact O-CD2 3.06Å; A83-V104 PolarHBondContact N-O 2.8Å; A83-V104 VanDerWaalsContact N-O 3.1Å; A83-V104 PolarHBondContact O-N 3.35Å
84	I	97.6	Very high	90.7	Very high	60 Å²	60	51.1 Å²	51.1	31%	0.308	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	126.8	160.4	-52	175.1	0	0	0	108.2	R30 Q31 Y86 T102	R30-I84 CarbonylContact C-O 3.47Å; R30-I84 WeakPolarHBondContact CA-O 3.39Å; Q31-I84 PolarHBondContact N-O 3.1Å; Q31-I84 PolarHBondContact O-N 3.19Å; I84-Y86 HydrophobicContact CB-CE2 3.78Å; I84-Y86 HydrophobicContact CG2-CD2 4.37Å; I84-Y86 HydrophobicContact CG2-CE1 3.81Å; I84-Y86 HydrophobicContact CG2-CE2 3.63Å; I84-Y86 VanDerWaalsContact CG2-OH 3.32Å; I84-Y86 WeakPolarHBondContact CG2-OH 2.99Å; I84-Y86 WeakPolarHBondContact O-CE2 3.47Å; I84-T102 WeakPolarHBondContact CA-O 3.35Å
85	Y	97.6	Very high	90.1	Very high	1 Å²	1	53.8 Å²	53.8	0%	0.004	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.6	-179.7	-70.7	-100.4	0	0	0	110.7	L10 I12 R30 L40 F72 D81 A83 G101 T102 V104	L10-Y85 HydrophobicContact CD2-CE1 4.44Å; L10-Y85 HydrophobicContact CD2-CE2 4.22Å; I12-Y85 VanDerWaalsContact CD1-CB 3.44Å; I12-Y85 HydrophobicContact CD1-CD1 4.18Å; I12-Y85 HydrophobicContact CD1-CD2 4.15Å; I12-Y85 HydrophobicContact CD1-CG 3.67Å; R30-Y85 HydrophobicContact CB-CD1 3.96Å; R30-Y85 HydrophobicContact CB-CE1 3.96Å; R30-Y85 HydrophobicContact CB-CG 4.35Å; L40-Y85 HydrophobicContact CD1-CD1 3.83Å; L40-Y85 HydrophobicContact CD1-CE1 3.75Å; F72-Y85 AromaticContact CE1-CD1 3.91Å; F72-Y85 HydrophobicContact CE1-CD1 3.91Å; F72-Y85 AromaticContact CE1-CE1 3.89Å; F72-Y85 HydrophobicContact CE1-CE1 3.89Å; F72-Y85 HydrophobicContact CZ-CD1 4.15Å; F72-Y85 AromaticContact CZ-CE1 3.98Å; F72-Y85 HydrophobicContact CZ-CE1 3.98Å; D81-Y85 WeakPolarHBondContact O-CE2 3.02Å; D81-Y85 PolarHBondContact O-OH 2.95Å; A83-Y85 HydrophobicContact CB-CD2 4.32Å; A83-Y85 HydrophobicContact CB-CE2 3.83Å; A83-Y85 WeakPolarHBondContact O-CD2 3.06Å; Y85-G101 CarbonylContact O-C 3.59Å; Y85-G101 VanDerWaalsContact O-CA 3.24Å; Y85-G101 WeakPolarHBondContact O-CA 3.47Å; Y85-T102 PolarHBondContact N-O 2.88Å; Y85-T102 PolarHBondContact O-N 3.5Å; Y85-V104 HydrophobicContact CD2-CB 4.03Å; Y85-V104 HydrophobicContact CD2-CG2 3.8Å; Y85-V104 HydrophobicContact CE2-CB 3.87Å; Y85-V104 HydrophobicContact CE2-CG2 4.07Å
86	Y	97.1	Very high	89.5	Confident	37 Å²	37	55.2 Å²	55.2	15%	0.145	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.5	-178.4	-55.3	-88.8	0	0	0	110.3	W28 V29 Q31 L37 I84 W98	W28-Y86 WeakPolarHBondContact CA-O 3.4Å; V29-Y86 PolarHBondContact N-O 3.45Å; V29-Y86 PolarHBondContact O-N 2.93Å; Q31-Y86 HydrophobicContact CB-CE2 3.95Å; L37-Y86 HydrophobicContact CD2-CE2 4.47Å; I84-Y86 HydrophobicContact CB-CE2 3.78Å; I84-Y86 HydrophobicContact CG2-CD2 4.37Å; I84-Y86 HydrophobicContact CG2-CE1 3.81Å; I84-Y86 HydrophobicContact CG2-CE2 3.63Å; I84-Y86 VanDerWaalsContact CG2-OH 3.32Å; I84-Y86 WeakPolarHBondContact CG2-OH 2.99Å; I84-Y86 WeakPolarHBondContact O-CE2 3.47Å; Y86-W98 HydrophobicContact CD1-CE3 4.47Å; Y86-W98 HydrophobicContact CG-CE3 4.12Å; Y86-W98 HydrophobicContact CG-CZ3 4.31Å
87	C	95.9	Very high	89.2	Confident	16 Å²	16	59.1 Å²	59.1	11%	0.108	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	143.4	159.1	59	0	0	0	0	109.4	C14 V26 H27 W28 G99	C14-C87 HydrophobicContact CB-CB 3.48Å; C14-C87 VanDerWaalsContact CB-CB 3.48Å; C14-C87 WeakPolarHBondContact CB-SG 3.5Å; C14-C87 WeakPolarHBondContact SG-CB 3.43Å; C14-C87 CovalentContact SG-SG 2.03Å; C14-C87 PolarHBondContact SG-SG 2.82Å; V26-C87 HydrophobicContact CG1-CB 3.94Å; H27-C87 CarbonylContact O-C 3.55Å; H27-C87 VanDerWaalsContact O-CA 3.24Å; H27-C87 WeakPolarHBondContact O-CA 3.48Å; W28-C87 HydrophobicContact CD2-CB 4.34Å; W28-C87 HydrophobicContact CE3-CB 4.21Å; W28-C87 HydrophobicContact CH2-CB 4.08Å; W28-C87 HydrophobicContact CZ2-CB 4.17Å; W28-C87 HydrophobicContact CZ3-CB 4.08Å; C87-G99 PolarHBondContact O-N 3.34Å
88	A	95.4	Very high	89.2	Confident	2 Å²	2	63.8 Å²	63.8	2%	0.017	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	138.7	178.3	0	0	0	0	0	112.3	V26 H27 M95 Y97 W98	V26-A88 CarbonylContact C-O 3.44Å; V26-A88 WeakPolarHBondContact CA-O 3.34Å; H27-A88 PolarHBondContact N-O 3.39Å; H27-A88 PolarHBondContact O-N 2.8Å; A88-M95 HydrophobicContact CB-CB 4.01Å; A88-M95 HydrophobicContact CB-CG 4.26Å; A88-M95 HydrophobicContact CB-SD 4.06Å; A88-Y97 CarbonylContact C-O 3.45Å; A88-Y97 WeakPolarHBondContact CA-O 3.33Å; A88-W98 HydrophobicContact CB-CD2 3.75Å; A88-W98 HydrophobicContact CB-CE3 4.02Å; A88-W98 HydrophobicContact CB-CG 4.11Å; A88-W98 HydrophobicContact CB-CZ2 4.31Å; A88-W98 HydrophobicContact CB-CZ3 4.41Å
89	K	94.2	Very high	89.1	Confident	23 Å²	23	60.4 Å²	60.4	10%	0.1	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	132.8	176.3	-169.6	-170	83.1	-177.1	0	110.1	F19 Y24 G91 M95 D96 Y97	F19-K89 HydrophobicContact CB-CD 4.09Å; F19-K89 HydrophobicContact CD1-CD 3.57Å; F19-K89 HydrophobicContact CD1-CG 4.12Å; F19-K89 HydrophobicContact CD2-CD 3.87Å; F19-K89 HydrophobicContact CD2-CG 3.99Å; F19-K89 HydrophobicContact CE1-CB 3.92Å; F19-K89 HydrophobicContact CE1-CD 3.82Å; F19-K89 HydrophobicContact CE1-CG 3.88Å; F19-K89 HydrophobicContact CE2-CB 4.37Å; F19-K89 HydrophobicContact CE2-CD 4.11Å; F19-K89 HydrophobicContact CE2-CG 3.74Å; F19-K89 HydrophobicContact CG-CD 3.57Å; F19-K89 HydrophobicContact CG-CG 4.16Å; F19-K89 HydrophobicContact CZ-CB 3.81Å; F19-K89 HydrophobicContact CZ-CD 4.07Å; F19-K89 HydrophobicContact CZ-CG 3.67Å; Y24-K89 HydrophobicContact CD1-CD 4.33Å; Y24-K89 HydrophobicContact CG-CD 4.15Å; Y24-K89 HydrophobicContact CG-CG 4.28Å; K89-G91 PolarHBondContact O-N 2.78Å; K89-M95 WeakPolarHBondContact O-CA 3.37Å; K89-D96 PolarHBondContact O-N 3.47Å; K89-Y97 HydrophobicContact CD-CD2 4.06Å; K89-Y97 VanDerWaalsContact CE-CD2 3.47Å; K89-Y97 PolarHBondContact N-O 3.03Å
90	Y	88.6	Confident	89.2	Confident	87 Å²	87	66.6 Å²	66.6	34%	0.341	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	121	166.9	-176.4	-110.2	0	0	0	110.6	Y24 G25 H27 W44	Y24-Y90 WeakPolarHBondContact CD1-O 3.34Å; G25-Y90 PolarHBondContact O-N 3.19Å; H27-Y90 AromaticContact NE2-CD2 3.14Å; H27-Y90 WeakPolarHBondContact NE2-CD2 3.49Å; H27-Y90 AromaticContact NE2-CG 3.74Å; W44-Y90 HydrophobicContact CE3-CD1 4.46Å; W44-Y90 HydrophobicContact CH2-CD2 4.27Å; W44-Y90 HydrophobicContact CH2-CE2 4.07Å; W44-Y90 AromaticContact CZ3-CD1 3.74Å; W44-Y90 HydrophobicContact CZ3-CD1 3.74Å; W44-Y90 AromaticContact CZ3-CD2 3.9Å; W44-Y90 HydrophobicContact CZ3-CD2 3.9Å; W44-Y90 AromaticContact CZ3-CE1 3.82Å; W44-Y90 HydrophobicContact CZ3-CE1 3.82Å; W44-Y90 AromaticContact CZ3-CE2 3.95Å; W44-Y90 HydrophobicContact CZ3-CE2 3.95Å; W44-Y90 AromaticContact CZ3-CG 3.76Å; W44-Y90 HydrophobicContact CZ3-CG 3.76Å; W44-Y90 AromaticContact CZ3-CZ 3.92Å
91	G	78.9	Confident	89.3	Confident	2 Å²	2	62.2 Å²	62.2	2%	0.021	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-96.4	173.5	169.1	0	0	0	0	0	112.2	K89 Y93 A94 D96	K89-G91 PolarHBondContact O-N 2.78Å; G91-Y93 PolarHBondContact O-N 2.86Å; G91-Y93 VanDerWaalsContact O-N 3.1Å; G91-A94 VanDerWaalsContact CA-O 3.24Å; G91-A94 WeakPolarHBondContact CA-O 3.25Å; G91-A94 PolarHBondContact N-O 3.24Å; G91-D96 WeakPolarHBondContact CA-OD2 3.39Å
92	N	71.9	Confident	89.3	Confident	126 Å²	126	63.6 Å²	63.6	67%	0.674	32%	0.315	S	S	*	.	S	Bend	trans	-60.1	-23.7	-178.9	-73.2	-28.8	0	0	0	113.3
93	Y	68.4	Low	89.3	Confident	222 Å²	222	65.3 Å²	65.3	87%	0.871	33%	0.328	S	S	*	.	S	Bend	trans	-143.5	-2.4	-177.4	-54	-74.3	0	0	0	114.6	G91	G91-Y93 PolarHBondContact O-N 2.86Å; G91-Y93 VanDerWaalsContact O-N 3.1Å
94	A	76	Confident	89.3	Confident	52 Å²	52	65.2 Å²	65.2	43%	0.43	33%	0.327	S	S	.	.	S	Bend	trans	-161.3	-179.3	-173.5	0	0	0	0	0	112.6	G91	G91-A94 VanDerWaalsContact CA-O 3.24Å; G91-A94 WeakPolarHBondContact CA-O 3.25Å; G91-A94 PolarHBondContact N-O 3.24Å
95	M	82.4	Confident	89.2	Confident	56 Å²	56	65.1 Å²	65.1	28%	0.276	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	99.7	167.2	-64.7	-178.9	-165.5	0	0	109.3	H27 V29 A88 K89 W98	H27-M95 HydrophobicContact CB-CE 3.86Å; H27-M95 HydrophobicContact CB-SD 4.12Å; V29-M95 HydrophobicContact CG2-CE 3.94Å; V29-M95 HydrophobicContact CG2-SD 3.8Å; A88-M95 HydrophobicContact CB-CB 4.01Å; A88-M95 HydrophobicContact CB-CG 4.26Å; A88-M95 HydrophobicContact CB-SD 4.06Å; K89-M95 WeakPolarHBondContact O-CA 3.37Å; M95-W98 HydrophobicContact CB-CZ2 3.69Å; M95-W98 HydrophobicContact CG-CZ2 4.2Å; M95-W98 PolarHBondContact O-NE1 3.1Å; M95-W98 HydrophobicContact SD-CH2 3.62Å; M95-W98 HydrophobicContact SD-CZ2 3.43Å; M95-W98 WeakPolarHBondContact SD-CZ2 3.34Å
96	D	81.7	Confident	88.9	Confident	84 Å²	84	65.4 Å²	65.4	45%	0.449	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-30.5	-165.8	-61.9	-12.8	0	0	0	113.7	K89 G91	K89-D96 PolarHBondContact O-N 3.47Å; G91-D96 WeakPolarHBondContact CA-OD2 3.39Å
97	Y	87.6	Confident	88.5	Confident	150 Å²	150	65 Å²	65	59%	0.588	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.2	125.3	-175.8	-66.9	-90.6	0	0	0	110.2	A88 K89	A88-Y97 CarbonylContact C-O 3.45Å; A88-Y97 WeakPolarHBondContact CA-O 3.33Å; K89-Y97 HydrophobicContact CD-CD2 4.06Å; K89-Y97 VanDerWaalsContact CE-CD2 3.47Å; K89-Y97 PolarHBondContact N-O 3.03Å
98	W	93	Very high	87.7	Confident	103 Å²	103	69 Å²	69	39%	0.39	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.5	-176.2	-68	71.7	0	0	0	110.8	V29 L37 Y86 A88 M95	V29-W98 HydrophobicContact CB-CH2 4.07Å; V29-W98 HydrophobicContact CB-CZ3 3.81Å; V29-W98 HydrophobicContact CG1-CH2 4Å; V29-W98 HydrophobicContact CG1-CZ3 3.94Å; V29-W98 HydrophobicContact CG2-CH2 3.81Å; V29-W98 HydrophobicContact CG2-CZ3 3.96Å; L37-W98 HydrophobicContact CD1-CH2 3.94Å; L37-W98 HydrophobicContact CD1-CZ3 4.42Å; L37-W98 HydrophobicContact CD2-CZ3 4.49Å; Y86-W98 HydrophobicContact CD1-CE3 4.47Å; Y86-W98 HydrophobicContact CG-CE3 4.12Å; Y86-W98 HydrophobicContact CG-CZ3 4.31Å; A88-W98 HydrophobicContact CB-CD2 3.75Å; A88-W98 HydrophobicContact CB-CE3 4.02Å; A88-W98 HydrophobicContact CB-CG 4.11Å; A88-W98 HydrophobicContact CB-CZ2 4.31Å; A88-W98 HydrophobicContact CB-CZ3 4.41Å; M95-W98 HydrophobicContact CB-CZ2 3.69Å; M95-W98 HydrophobicContact CG-CZ2 4.2Å; M95-W98 PolarHBondContact O-NE1 3.1Å; M95-W98 HydrophobicContact SD-CH2 3.62Å; M95-W98 HydrophobicContact SD-CZ2 3.43Å; M95-W98 WeakPolarHBondContact SD-CZ2 3.34Å
99	G	92.4	Very high	86.2	Confident	29 Å²	29	79.2 Å²	79.2	30%	0.299	41%	0.409	S	S	.	.			trans	-67.4	162.3	166	0	0	0	0	0	111.2	C87 G101	C87-G99 PolarHBondContact O-N 3.34Å; G99-G101 PolarHBondContact O-N 3.37Å
100	Q	93.3	Very high	85.8	Confident	192 Å²	192	82.1 Å²	82.1	90%	0.897	43%	0.425	S	S	*	.			trans	-62.6	-12.5	-179.5	-66.7	-62.7	-42.2	0	0	114.1
101	G	94.3	Very high	85.7	Confident	25 Å²	25	81.8 Å²	81.8	26%	0.258	43%	0.429	S	S	.	.			trans	86.3	158.4	-176.2	0	0	0	0	0	112.1	Y85 G99	Y85-G101 CarbonylContact O-C 3.59Å; Y85-G101 VanDerWaalsContact O-CA 3.24Å; Y85-G101 WeakPolarHBondContact O-CA 3.47Å; G99-G101 PolarHBondContact O-N 3.37Å
102	T	96.3	Very high	86.1	Confident	32 Å²	32	86.2 Å²	86.2	20%	0.196	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	110.6	-178.2	-72.5	0	0	0	0	108.6	P1 I12 I84 Y85 V104	P1-T102 HydrophobicContact CB-CG2 3.4Å; P1-T102 HydrophobicContact CG-CG2 3.23Å; I12-T102 HydrophobicContact CD1-CG2 4.02Å; I12-T102 HydrophobicContact CG1-CG2 4.4Å; I12-T102 HydrophobicContact CG2-CG2 4.28Å; I84-T102 WeakPolarHBondContact CA-O 3.35Å; Y85-T102 PolarHBondContact N-O 2.88Å; Y85-T102 PolarHBondContact O-N 3.5Å; T102-V104 HydrophobicContact CG2-CG2 4.23Å
103	S	96.1	Very high	86.9	Confident	69 Å²	69	83.9 Å²	83.9	48%	0.483	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	131.9	177.2	-169.2	0	0	0	0	110.4	P1	P1-S103 CarbonylContact C-O 3.57Å; P1-S103 VanDerWaalsContact C-O 3.3Å
104	V	95.7	Very high	88.1	Confident	1 Å²	1	75.3 Å²	75.3	1%	0.006	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	128.4	175.4	178.5	0	0	0	0	108.3	P1 V4 L10 I12 T82 A83 Y85 T102 V106	P1-V104 HydrophobicContact CB-CG2 3.89Å; V4-V104 HydrophobicContact CG2-CG1 3.71Å; L10-V104 HydrophobicContact CD1-CG1 4.19Å; L10-V104 HydrophobicContact CD1-CG2 3.82Å; L10-V104 HydrophobicContact CD2-CG1 4.12Å; L10-V104 HydrophobicContact CD2-CG2 3.98Å; I12-V104 HydrophobicContact CD1-CG2 4.32Å; T82-V104 WeakPolarHBondContact CA-O 3.47Å; A83-V104 PolarHBondContact N-O 2.8Å; A83-V104 VanDerWaalsContact N-O 3.1Å; A83-V104 PolarHBondContact O-N 3.35Å; Y85-V104 HydrophobicContact CD2-CB 4.03Å; Y85-V104 HydrophobicContact CD2-CG2 3.8Å; Y85-V104 HydrophobicContact CE2-CB 3.87Å; Y85-V104 HydrophobicContact CE2-CG2 4.07Å; T102-V104 HydrophobicContact CG2-CG2 4.23Å; V104-V106 HydrophobicContact CG1-CG2 4.39Å
105	T	95.5	Very high	88.9	Confident	59 Å²	59	76.8 Å²	76.8	36%	0.362	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.3	175.6	-56.9	0	0	0	0	108.6	G2 L3 V4 T82	G2-T105 PolarHBondContact O-N 3.38Å; L3-T105 WeakPolarHBondContact CA-O 3.45Å; L3-T105 HydrophobicContact CD1-CG2 3.92Å; V4-T105 WeakPolarHBondContact CG2-O 3.44Å; V4-T105 PolarHBondContact N-O 3.34Å; T82-T105 HydrophobicContact CG2-CG2 4.47Å
106	V	93	Very high	89.3	Confident	7 Å²	7	78.3 Å²	78.3	4%	0.042	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	106.3	175.1	-168.3	0	0	0	0	108.6	V4 P6 L77 Q78 D81 T82 V104	V4-V106 HydrophobicContact CG2-CB 4.32Å; V4-V106 HydrophobicContact CG2-CG1 4.49Å; V4-V106 HydrophobicContact CG2-CG2 3.79Å; V4-V106 VanDerWaalsContact O-CA 3.26Å; V4-V106 WeakPolarHBondContact O-CA 3.45Å; P6-V106 HydrophobicContact CG-CG1 4.26Å; L77-V106 HydrophobicContact CB-CG1 4.05Å; L77-V106 HydrophobicContact CB-CG2 4.28Å; L77-V106 HydrophobicContact CD1-CG2 4.48Å; L77-V106 HydrophobicContact CD2-CG2 4.46Å; Q78-V106 WeakPolarHBondContact O-CB 3.5Å; Q78-V106 WeakPolarHBondContact O-CG1 3.38Å; Q78-V106 WeakPolarHBondContact O-CG2 3.26Å; D81-V106 HydrophobicContact CB-CG2 4.13Å; T82-V106 PolarHBondContact OG1-N 2.8Å; V104-V106 HydrophobicContact CG1-CG2 4.39Å
107	S	88.3	Confident	89.9	Confident	29 Å²	29	77.8 Å²	77.8	20%	0.203	42%	0.418	C	S	.	.			trans	-139.5	148.2	178.1	-167.4	0	0	0	0	111.2	V4 E109	V4-S107 PolarHBondContact O-N 2.6Å; S107-E109 VanDerWaalsContact C-N 3.32Å; S107-E109 WeakPolarHBondContact OG-CB 3.18Å; S107-E109 WeakPolarHBondContact OG-CG 3.41Å; S107-E109 PolarHBondContact OG-N 2.93Å
108	S	79.4	Confident	90.1	Very high	99 Å²	99	71.8 Å²	71.8	69%	0.692	40%	0.404	S	S	*	.			trans	-86.5	-6.3	169.6	54.2	0	0	0	0	113.1
109	E	63.8	Low	89.8	Confident	217 Å²	217	69 Å²	69	100%	1.014	41%	0.405	S	S	*	.			trans	-71.2	0	177.6	-62.4	-173	154.7	0	0	113	S107	S107-E109 VanDerWaalsContact C-N 3.32Å; S107-E109 WeakPolarHBondContact OG-CB 3.18Å; S107-E109 WeakPolarHBondContact OG-CG 3.41Å; S107-E109 PolarHBondContact OG-N 2.93Å

Retrieved 109 of 109 residues in 27.3 ms (Link to these results)

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