A0A146MHE5_SCHMA Loading...

Protein yippee-like

AlphaFold DB , UniProt , Accession A0A146MHE5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 120 aa.

						>A0A146MHE5_SCHMA|A0A146MHE5
MGRIFIEHMGGHRIIHCQYCETPLTNRSEILSTRFTGATGRAFLFNRVVNIVHSDIQDRVMLTGRHLVRDVVCIKCNTKLGWMYEHAMEESQRYKEGKVILERALIMETEGLADPLGEEQ
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	59.7	Low	87.1	Confident	242 Å²	242	108.1 Å²	108.1	100%	1.192	57%	0.565	S	S	*	*				0	120.3	0	-60.4	-149.8	-72.5	0	0	107.7
2	G	82.5	Confident	87.3	Confident	78 Å²	78	109.8 Å²	109.8	80%	0.804	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-66	140.6	-176.4	0	0	0	0	0	111.6
3	R	84.4	Confident	87.8	Confident	225 Å²	225	109.9 Å²	109.9	85%	0.849	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-76.8	132.2	170.9	-69.7	-179.7	175.5	163.7	-1.4	108.4	F5	R3-F5 HydrophobicContact CB-CE2 4.39Å
4	I	86.4	Confident	88.4	Confident	99 Å²	99	102.4 Å²	102.4	51%	0.508	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-84.4	122.1	170.7	-57.1	176	0	0	0	107.1	I6 I74	I4-I6 HydrophobicContact CG2-CD1 3.69Å; I4-I6 HydrophobicContact CG2-CG1 4.45Å; I4-I74 HydrophobicContact CG2-CD1 4.12Å; I4-I74 HydrophobicContact CG2-CG1 4.19Å; I4-I74 HydrophobicContact CG2-CG2 4.16Å
5	F	92.1	Very high	89.1	Confident	175 Å²	175	95.8 Å²	95.8	77%	0.768	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-89.4	122.7	171.9	-70.6	-87.9	0	0	0	108.7	R3	R3-F5 HydrophobicContact CB-CE2 4.39Å
6	I	95.5	Very high	89.7	Confident	77 Å²	77	91.3 Å²	91.3	40%	0.395	46%	0.461	S	S	.	.			trans	-101.6	115.2	177.6	-58.9	-59.1	0	0	0	107.9	I4 T22 P23 N50 I74	I4-I6 HydrophobicContact CG2-CD1 3.69Å; I4-I6 HydrophobicContact CG2-CG1 4.45Å; I6-T22 HydrophobicContact CD1-CG2 4.09Å; I6-T22 HydrophobicContact CG2-CG2 4.4Å; I6-P23 HydrophobicContact CG2-CG 3.69Å; I6-N50 WeakPolarHBondContact CA-OD1 3.16Å; I6-I74 HydrophobicContact CD1-CG2 3.91Å
7	E	95.9	Very high	90.2	Very high	86 Å²	86	85.9 Å²	85.9	40%	0.402	43%	0.434	S	S	.	.			trans	-80.7	145	174.2	-173.7	177.5	166.6	0	0	110.4	R47 V49 N50	E7-R47 IonicContact OE1-CZ 2.69Å; E7-R47 IonicContact OE1-NH1 3.01Å; E7-R47 IonicContact OE1-NH2 3.02Å; E7-R47 PolarHBondContact OE1-NH2 2.94Å; E7-R47 IonicContact OE2-NH2 3.28Å; E7-V49 HydrophobicContact CB-CB 4.16Å; E7-V49 HydrophobicContact CB-CG2 4.18Å; E7-V49 HydrophobicContact CG-CB 4.43Å; E7-V49 HydrophobicContact CG-CG1 4.26Å; E7-V49 HydrophobicContact CG-CG2 4.45Å; E7-V49 WeakPolarHBondContact OE2-CG1 3.5Å; E7-N50 PolarHBondContact N-ND2 3.42Å; E7-N50 PolarHBondContact N-OD1 3.19Å; E7-N50 PolarHBondContact O-ND2 3.27Å
8	H	92.7	Very high	90.7	Very high	112 Å²	112	86.3 Å²	86.3	52%	0.519	43%	0.434	S	S	.	.			trans	-123.3	120.2	176.2	-166.5	-78.9	0	0	0	109.8	G10	H8-G10 VanDerWaalsContact C-N 3.29Å; H8-G10 PolarHBondContact ND1-N 2.98Å; H8-G10 PolarHBondContact O-N 3.42Å
9	M	90.6	Very high	91.1	Very high	38 Å²	38	89.3 Å²	89.3	19%	0.187	44%	0.441	C	S	.	.			trans	-76.7	-14.2	-176.3	-68.2	-166.7	61.7	0	0	114	E29 R47 V49	M9-E29 HydrophobicContact CE-CG 3.48Å; M9-E29 VanDerWaalsContact CE-CG 3.48Å; M9-E29 HydrophobicContact SD-CG 4.49Å; M9-R47 HydrophobicContact CE-CB 4.01Å; M9-R47 HydrophobicContact CE-CG 3.98Å; M9-R47 HydrophobicContact SD-CG 4.25Å; M9-V49 HydrophobicContact CG-CG1 3.97Å; M9-V49 HydrophobicContact CG-CG2 3.8Å; M9-V49 HydrophobicContact SD-CG1 3.95Å; M9-V49 HydrophobicContact SD-CG2 4.21Å
10	G	89.3	Confident	91.4	Very high	24 Å²	24	86 Å²	86	25%	0.247	43%	0.426	C	S	.	.			trans	65.6	-171.6	-175.8	0	0	0	0	0	112.6	H8 I14 N26	H8-G10 VanDerWaalsContact C-N 3.29Å; H8-G10 PolarHBondContact ND1-N 2.98Å; H8-G10 PolarHBondContact O-N 3.42Å; G10-I14 WeakPolarHBondContact O-CD1 3.32Å; G10-N26 WeakPolarHBondContact O-CB 3.49Å; G10-N26 PolarHBondContact O-ND2 2.93Å
11	G	89.1	Confident	91.7	Very high	33 Å²	33	88.5 Å²	88.5	34%	0.34	44%	0.437	S	S	.	.	S	Bend	trans	102.4	165.7	-177.5	0	0	0	0	0	113.8	R13 I14 G111	G11-R13 VanDerWaalsContact C-N 3.32Å; G11-R13 PolarHBondContact O-N 3.11Å; G11-I14 VanDerWaalsContact O-CD1 3.23Å; G11-I14 WeakPolarHBondContact O-CD1 3.27Å; G11-G111 WeakPolarHBondContact O-CA 3.47Å
12	H	88.9	Confident	93.5	Very high	129 Å²	129	77.2 Å²	77.2	60%	0.597	38%	0.382	S	S	*	.	S	Bend	trans	-70.4	-24.1	-172.9	-63.9	-82.1	0	0	0	114.5	G111	H12-G111 PolarHBondContact O-N 2.89Å
13	R	94.5	Very high	94.2	Very high	111 Å²	111	74.3 Å²	74.3	42%	0.419	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	112.8	178.6	-61.5	-161.5	-175.2	-156.8	-7.3	109.9	G11 N26 R27 E108 T109	G11-R13 VanDerWaalsContact C-N 3.32Å; G11-R13 PolarHBondContact O-N 3.11Å; R13-N26 CarbonylContact O-C 3.58Å; R13-N26 VanDerWaalsContact O-CA 3.27Å; R13-N26 WeakPolarHBondContact O-CA 3.45Å; R13-N26 VanDerWaalsContact O-CB 3.32Å; R13-N26 WeakPolarHBondContact O-CB 3.38Å; R13-R27 HydrophobicContact CB-CB 3.93Å; R13-R27 PolarHBondContact O-N 3.4Å; R13-E108 HydrophobicContact CB-CG 4.29Å; R13-E108 WeakPolarHBondContact CB-OE1 3.42Å; R13-E108 WeakPolarHBondContact CD-OE1 3.28Å; R13-E108 IonicContact NH1-OE1 3.54Å; R13-T109 WeakPolarHBondContact CA-O 3.37Å
14	I	96.6	Very high	94.9	Very high	5 Å²	5	63.6 Å²	63.6	3%	0.026	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	142.4	-174.2	-49.4	-59.2	0	0	0	108.9	G10 G11 H16 P23 N26 E108 T109	G10-I14 WeakPolarHBondContact O-CD1 3.32Å; G11-I14 VanDerWaalsContact O-CD1 3.23Å; G11-I14 WeakPolarHBondContact O-CD1 3.27Å; I14-H16 WeakPolarHBondContact CB-NE2 3.42Å; I14-H16 VanDerWaalsContact CG2-NE2 3.26Å; I14-H16 WeakPolarHBondContact CG2-NE2 3.02Å; I14-P23 HydrophobicContact CG2-CB 4.2Å; I14-N26 HydrophobicContact CD1-CB 4.12Å; I14-E108 CarbonylContact O-C 3.46Å; I14-E108 VanDerWaalsContact O-CA 3.3Å; I14-E108 WeakPolarHBondContact O-CA 3.4Å; I14-T109 PolarHBondContact N-O 3.32Å; I14-T109 PolarHBondContact O-N 2.94Å
15	I	98.5	Very high	95.5	Very high	3 Å²	3	59 Å²	59	2%	0.015	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126.2	177.7	-68	167.3	0	0	0	108.1	L24 T25 I30 F45 I106 M107 E108	I15-L24 WeakPolarHBondContact O-CB 3.26Å; I15-L24 PolarHBondContact O-N 2.83Å; I15-T25 HydrophobicContact CB-CG2 3.79Å; I15-T25 HydrophobicContact CD1-CG2 4.12Å; I15-T25 HydrophobicContact CG2-CG2 4Å; I15-T25 PolarHBondContact N-O 3.46Å; I15-T25 PolarHBondContact O-N 3.4Å; I15-I30 HydrophobicContact CD1-CD1 4.26Å; I15-F45 HydrophobicContact CD1-CE1 3.44Å; I15-F45 VanDerWaalsContact CD1-CE1 3.44Å; I15-F45 HydrophobicContact CD1-CZ 3.67Å; I15-I106 HydrophobicContact CG2-CB 3.9Å; I15-I106 HydrophobicContact CG2-CD1 3.84Å; I15-I106 HydrophobicContact CG2-CG1 4.3Å; I15-I106 HydrophobicContact CG2-CG2 4.28Å; I15-M107 CarbonylContact C-O 3.57Å; I15-M107 WeakPolarHBondContact CA-O 3.37Å; I15-E108 HydrophobicContact CG1-CB 4.45Å; I15-E108 HydrophobicContact CG1-CG 4.27Å
16	H	98.4	Very high	95.7	Very high	24 Å²	24	51.2 Å²	51.2	11%	0.111	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	160.3	-174.2	-58.1	-99.7	0	0	0	111.5	I14 Q18 E21 T22 I106 M107 T109	I14-H16 WeakPolarHBondContact CB-NE2 3.42Å; I14-H16 VanDerWaalsContact CG2-NE2 3.26Å; I14-H16 WeakPolarHBondContact CG2-NE2 3.02Å; H16-Q18 PolarHBondContact O-N 2.95Å; H16-E21 PolarHBondContact ND1-O 2.95Å; H16-T22 CarbonylContact C-O 3.43Å; H16-T22 VanDerWaalsContact CA-O 3.32Å; H16-T22 WeakPolarHBondContact CA-O 3.23Å; H16-I106 CarbonylContact O-C 3.55Å; H16-I106 WeakPolarHBondContact O-CA 3.44Å; H16-I106 WeakPolarHBondContact O-CB 3.42Å; H16-M107 HydrophobicContact CB-CG 3.83Å; H16-M107 PolarHBondContact N-O 3.44Å; H16-M107 PolarHBondContact O-N 2.88Å; H16-T109 PolarHBondContact CD2-OG1 2.91Å; H16-T109 VanDerWaalsContact CD2-OG1 3.24Å; H16-T109 PolarHBondContact NE2-OG1 2.91Å
17	C	98.7	Very high	95.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	126.4	163.7	176.3	0	0	0	0	110	Y19 C20 E21 T22 L24 C73 L80	C17-Y19 PolarHBondContact O-N 2.92Å; C17-Y19 VanDerWaalsContact O-N 3.15Å; C17-C20 PolarHBondContact O-N 2.83Å; C17-E21 VanDerWaalsContact O-CA 3.31Å; C17-E21 WeakPolarHBondContact O-CA 3.22Å; C17-E21 PolarHBondContact O-N 3.37Å; C17-T22 PolarHBondContact N-O 3.41Å; C17-L24 HydrophobicContact CB-CD1 4.14Å; C17-L24 HydrophobicContact CB-CG 4.47Å; C17-C73 HydrophobicContact CB-CB 4.49Å; C17-L80 HydrophobicContact CB-CD2 4.48Å
18	Q	98.3	Very high	95.7	Very high	93 Å²	93	53.9 Å²	53.9	44%	0.435	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.5	-178.8	-179.8	67.9	-71.2	0	0	113.7	H16 L105 M107	H16-Q18 PolarHBondContact O-N 2.95Å; Q18-L105 WeakPolarHBondContact CB-O 3.16Å; Q18-L105 PolarHBondContact N-O 2.77Å; Q18-L105 VanDerWaalsContact N-O 3.1Å; Q18-M107 PolarHBondContact OE1-SD 2.92Å
19	Y	98.3	Very high	95.9	Very high	143 Å²	143	50.4 Å²	50.4	56%	0.561	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-21.9	-171.7	-62.7	-80.6	0	0	0	114.5	C17 T78 L105	C17-Y19 PolarHBondContact O-N 2.92Å; C17-Y19 VanDerWaalsContact O-N 3.15Å; Y19-T78 HydrophobicContact CD2-CG2 3.66Å; Y19-T78 HydrophobicContact CE2-CG2 3.65Å; Y19-L105 HydrophobicContact CE2-CD2 3.98Å
20	C	97.9	Very high	96.3	Very high	23 Å²	23	50.6 Å²	50.6	16%	0.155	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-144.2	7.4	-173.6	73.2	0	0	0	0	114.4	C17 T22 C73 K75 C76	C17-C20 PolarHBondContact O-N 2.83Å; C20-T22 PolarHBondContact O-N 2.87Å; C20-T22 PolarHBondContact SG-OG1 3.24Å; C20-C73 PolarHBondContact SG-SG 2.86Å; C20-K75 HydrophobicContact CB-CD 4.37Å; C20-C76 HydrophobicContact CB-CB 3.8Å; C20-C76 PolarHBondContact SG-SG 2.87Å
21	E	97	Very high	96.7	Very high	139 Å²	139	53.9 Å²	53.9	65%	0.65	27%	0.265	S	S	*	.			trans	59.2	11.9	174.6	-60.6	174.4	-155.2	0	0	115.1	H16 C17 M107	H16-E21 PolarHBondContact ND1-O 2.95Å; C17-E21 VanDerWaalsContact O-CA 3.31Å; C17-E21 WeakPolarHBondContact O-CA 3.22Å; C17-E21 PolarHBondContact O-N 3.37Å; E21-M107 HydrophobicContact CG-SD 4.2Å
22	T	98.1	Very high	97.1	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.031	26%	0.26	C	S	.	.			trans	-59.4	124.7	174.7	-64.7	0	0	0	0	109.4	I6 H16 C17 C20 L24 N50 K75	I6-T22 HydrophobicContact CD1-CG2 4.09Å; I6-T22 HydrophobicContact CG2-CG2 4.4Å; H16-T22 CarbonylContact C-O 3.43Å; H16-T22 VanDerWaalsContact CA-O 3.32Å; H16-T22 WeakPolarHBondContact CA-O 3.23Å; C17-T22 PolarHBondContact N-O 3.41Å; C20-T22 PolarHBondContact O-N 2.87Å; C20-T22 PolarHBondContact SG-OG1 3.24Å; T22-L24 PolarHBondContact O-N 3.05Å; T22-N50 HydrophobicContact CG2-CB 3.55Å; T22-K75 WeakPolarHBondContact OG1-CB 3.22Å; T22-K75 VanDerWaalsContact OG1-CD 3.29Å; T22-K75 WeakPolarHBondContact OG1-CD 2.92Å
23	P	98	Very high	97.5	Very high	16 Å²	16	50.3 Å²	50.3	10%	0.104	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	135.2	177.9	27.4	-34.8	0	0	0	109	I6 I14 N50	I6-P23 HydrophobicContact CG2-CG 3.69Å; I14-P23 HydrophobicContact CG2-CB 4.2Å; P23-N50 PolarHBondContact O-ND2 3.43Å
24	L	98.6	Very high	97.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	-42.6	-176.6	-63.5	173	0	0	0	110.9	I15 C17 T22 V48 V49 I51 L80 L101 I106	I15-L24 WeakPolarHBondContact O-CB 3.26Å; I15-L24 PolarHBondContact O-N 2.83Å; C17-L24 HydrophobicContact CB-CD1 4.14Å; C17-L24 HydrophobicContact CB-CG 4.47Å; T22-L24 PolarHBondContact O-N 3.05Å; L24-V48 HydrophobicContact CB-CG1 4.06Å; L24-V48 CarbonylContact O-C 3.59Å; L24-V48 WeakPolarHBondContact O-CA 3.36Å; L24-V48 WeakPolarHBondContact O-CG1 3.38Å; L24-V49 WeakPolarHBondContact O-CG2 3.47Å; L24-V49 PolarHBondContact O-N 3.28Å; L24-I51 HydrophobicContact CD2-CG2 3.96Å; L24-L80 HydrophobicContact CD1-CD1 3.55Å; L24-L80 HydrophobicContact CD2-CD1 3.76Å; L24-L80 HydrophobicContact CG-CD1 4.32Å; L24-L101 HydrophobicContact CB-CD1 4.4Å; L24-L101 HydrophobicContact CD1-CD1 4.22Å; L24-I106 HydrophobicContact CD1-CG2 3.9Å
25	T	98.4	Very high	97.7	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	-169.4	-176.3	-171.3	0	0	0	0	109.5	I15 E29 F45 R47 V48 L101	I15-T25 HydrophobicContact CB-CG2 3.79Å; I15-T25 HydrophobicContact CD1-CG2 4.12Å; I15-T25 HydrophobicContact CG2-CG2 4Å; I15-T25 PolarHBondContact N-O 3.46Å; I15-T25 PolarHBondContact O-N 3.4Å; T25-E29 VanDerWaalsContact OG1-CB 3.32Å; T25-E29 WeakPolarHBondContact OG1-CB 3.46Å; T25-E29 WeakPolarHBondContact OG1-CG 3.32Å; T25-F45 HydrophobicContact CG2-CD1 3.51Å; T25-F45 HydrophobicContact CG2-CE1 3.48Å; T25-F45 VanDerWaalsContact CG2-CE1 3.48Å; T25-F45 HydrophobicContact CG2-CG 4.14Å; T25-F45 HydrophobicContact CG2-CZ 4.1Å; T25-R47 WeakPolarHBondContact CB-O 3.32Å; T25-R47 PolarHBondContact OG1-O 2.79Å; T25-V48 HydrophobicContact CG2-CG2 4.35Å; T25-L101 HydrophobicContact CG2-CD1 4.28Å
26	N	96.5	Very high	97.6	Very high	13 Å²	13	61.7 Å²	61.7	7%	0.07	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	171.1	172.7	66.2	44.9	0	0	0	110.6	G10 R13 I14 S28 E29	G10-N26 WeakPolarHBondContact O-CB 3.49Å; G10-N26 PolarHBondContact O-ND2 2.93Å; R13-N26 CarbonylContact O-C 3.58Å; R13-N26 VanDerWaalsContact O-CA 3.27Å; R13-N26 WeakPolarHBondContact O-CA 3.45Å; R13-N26 VanDerWaalsContact O-CB 3.32Å; R13-N26 WeakPolarHBondContact O-CB 3.38Å; I14-N26 HydrophobicContact CD1-CB 4.12Å; N26-S28 VanDerWaalsContact C-N 3.27Å; N26-S28 PolarHBondContact O-N 2.81Å; N26-S28 WeakPolarHBondContact OD1-CB 3.31Å; N26-S28 PolarHBondContact OD1-N 2.93Å; N26-E29 PolarHBondContact O-N 3.49Å; N26-E29 PolarHBondContact OD1-N 3.15Å
27	R	95.7	Very high	97.4	Very high	112 Å²	112	61.4 Å²	61.4	42%	0.423	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-66.4	-27.6	-176.3	-168.9	134.6	98.3	166.3	15.4	113.9	R13 E29 I30 E108	R13-R27 HydrophobicContact CB-CB 3.93Å; R13-R27 PolarHBondContact O-N 3.4Å; R27-E29 PolarHBondContact O-N 2.92Å; R27-I30 HydrophobicContact CG-CD1 3.88Å; R27-I30 WeakPolarHBondContact O-CB 3.3Å; R27-I30 WeakPolarHBondContact O-CG1 3.33Å; R27-I30 PolarHBondContact O-N 3.33Å; R27-I30 VanDerWaalsContact O-N 3.15Å; R27-E108 VanDerWaalsContact CD-OE1 3.22Å; R27-E108 WeakPolarHBondContact CD-OE1 3.49Å; R27-E108 IonicContact CZ-OE1 2.93Å; R27-E108 IonicContact NE-OE1 3.3Å; R27-E108 PolarHBondContact NE-OE1 2.94Å; R27-E108 IonicContact NH1-OE1 2.79Å; R27-E108 PolarHBondContact NH1-OE1 3.12Å; R27-E108 IonicContact NH1-OE2 3.64Å; R27-E108 PolarHBondContact NH1-OE2 3.03Å
28	S	95.5	Very high	97.2	Very high	106 Å²	106	66 Å²	66	74%	0.741	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-66.2	-21.1	178.5	-52.6	0	0	0	0	112.5	N26 I30	N26-S28 VanDerWaalsContact C-N 3.27Å; N26-S28 PolarHBondContact O-N 2.81Å; N26-S28 WeakPolarHBondContact OD1-CB 3.31Å; N26-S28 PolarHBondContact OD1-N 2.93Å; S28-I30 VanDerWaalsContact C-N 3.33Å
29	E	97.7	Very high	97	Very high	39 Å²	39	65.1 Å²	65.1	18%	0.182	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-82.1	-4.7	175.7	-65.4	-65.6	148.2	0	0	113.9	M9 T25 N26 R27 L31 F45 N46 R47	M9-E29 HydrophobicContact CE-CG 3.48Å; M9-E29 VanDerWaalsContact CE-CG 3.48Å; M9-E29 HydrophobicContact SD-CG 4.49Å; T25-E29 VanDerWaalsContact OG1-CB 3.32Å; T25-E29 WeakPolarHBondContact OG1-CB 3.46Å; T25-E29 WeakPolarHBondContact OG1-CG 3.32Å; N26-E29 PolarHBondContact O-N 3.49Å; N26-E29 PolarHBondContact OD1-N 3.15Å; R27-E29 PolarHBondContact O-N 2.92Å; E29-L31 PolarHBondContact O-N 3.15Å; E29-F45 HydrophobicContact CB-CD1 4.23Å; E29-F45 CarbonylContact O-C 3.55Å; E29-F45 VanDerWaalsContact O-CA 3.28Å; E29-F45 WeakPolarHBondContact O-CA 3.46Å; E29-N46 PolarHBondContact O-N 2.91Å; E29-N46 VanDerWaalsContact OE2-CB 3.22Å; E29-N46 WeakPolarHBondContact OE2-CB 3.48Å; E29-N46 PolarHBondContact OE2-ND2 2.94Å; E29-R47 HydrophobicContact CG-CB 4.47Å; E29-R47 VanDerWaalsContact OE2-CB 3.3Å; E29-R47 WeakPolarHBondContact OE2-CB 3.36Å; E29-R47 PolarHBondContact OE2-N 3.43Å
30	I	98.1	Very high	96.9	Very high	42 Å²	42	59.7 Å²	59.7	22%	0.215	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	118.6	178.7	-63.9	-179.7	0	0	0	110.1	I15 R27 S28 T33 F43 F45	I15-I30 HydrophobicContact CD1-CD1 4.26Å; R27-I30 HydrophobicContact CG-CD1 3.88Å; R27-I30 WeakPolarHBondContact O-CB 3.3Å; R27-I30 WeakPolarHBondContact O-CG1 3.33Å; R27-I30 PolarHBondContact O-N 3.33Å; R27-I30 VanDerWaalsContact O-N 3.15Å; S28-I30 VanDerWaalsContact C-N 3.33Å; I30-T33 HydrophobicContact CG2-CG2 3.74Å; I30-F43 HydrophobicContact CD1-CD2 4.42Å; I30-F45 HydrophobicContact CB-CE1 4.45Å; I30-F45 HydrophobicContact CD1-CE1 4.05Å; I30-F45 HydrophobicContact CD1-CZ 4.38Å; I30-F45 HydrophobicContact CG1-CD1 3.82Å; I30-F45 HydrophobicContact CG1-CE1 3.28Å; I30-F45 HydrophobicContact CG1-CZ 3.96Å
31	L	98.3	Very high	96.9	Very high	93 Å²	93	65 Å²	65	49%	0.487	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-36.2	172.2	-65.1	177.6	0	0	0	112.5	E29 L44 N46 K98	E29-L31 PolarHBondContact O-N 3.15Å; L31-L44 HydrophobicContact CB-CD2 4.12Å; L31-L44 HydrophobicContact CB-CG 4.33Å; L31-L44 HydrophobicContact CD1-CD2 4.25Å; L31-L44 HydrophobicContact CD1-CG 4.46Å; L31-L44 PolarHBondContact N-O 3.28Å; L31-N46 HydrophobicContact CD1-CB 3.9Å; L31-N46 HydrophobicContact CD2-CB 4.07Å; L31-N46 HydrophobicContact CG-CB 3.89Å; L31-K98 HydrophobicContact CD1-CD 3.62Å; L31-K98 HydrophobicContact CD1-CG 3.96Å
32	S	98.2	Very high	97	Very high	32 Å²	32	58.4 Å²	58.4	22%	0.224	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	141.2	-179.7	176.6	0	0	0	0	112.2	R34 F43 L44	S32-R34 PolarHBondContact OG-N 2.89Å; S32-F43 WeakPolarHBondContact O-CA 3.49Å; S32-L44 PolarHBondContact N-O 2.84Å; S32-L44 PolarHBondContact O-N 3.29Å
33	T	97.1	Very high	97	Very high	55 Å²	55	59.4 Å²	59.4	34%	0.337	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	9.4	178	67	0	0	0	0	113.9	I30 R41 F43	I30-T33 HydrophobicContact CG2-CG2 3.74Å; T33-R41 PolarHBondContact O-NE 3.34Å; T33-R41 VanDerWaalsContact O-NE 3.11Å; T33-R41 PolarHBondContact O-NH2 2.71Å; T33-R41 PolarHBondContact OG1-NH2 3.5Å; T33-F43 HydrophobicContact CG2-CD1 3.99Å; T33-F43 HydrophobicContact CG2-CE1 4.13Å
34	R	96.2	Very high	97.1	Very high	229 Å²	229	58.8 Å²	58.8	86%	0.864	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	13.9	-172.9	-60.7	-175.4	-177.9	175.1	1.4	113.6	S32	S32-R34 PolarHBondContact OG-N 2.89Å
35	F	97.4	Very high	97.1	Very high	31 Å²	31	58.8 Å²	58.8	14%	0.136	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	162.5	179.6	-77.1	-100.9	0	0	0	111.3	A42 L44 K95 I100	F35-A42 CarbonylContact C-O 3.56Å; F35-A42 HydrophobicContact CB-CB 4.34Å; F35-A42 WeakPolarHBondContact CB-O 3.21Å; F35-A42 PolarHBondContact N-O 2.85Å; F35-A42 PolarHBondContact O-N 2.7Å; F35-A42 VanDerWaalsContact O-O 3.06Å; F35-L44 HydrophobicContact CD2-CB 3.74Å; F35-L44 HydrophobicContact CE2-CB 3.67Å; F35-L44 HydrophobicContact CE2-CD2 3.8Å; F35-L44 HydrophobicContact CE2-CG 4.25Å; F35-L44 HydrophobicContact CG-CB 4.39Å; F35-L44 HydrophobicContact CZ-CB 4.25Å; F35-L44 HydrophobicContact CZ-CD1 4.41Å; F35-L44 HydrophobicContact CZ-CD2 3.81Å; F35-L44 HydrophobicContact CZ-CG 4.4Å; F35-K95 HydrophobicContact CE1-CD 4.29Å; F35-K95 HydrophobicContact CZ-CD 4.47Å; F35-I100 HydrophobicContact CB-CD1 3.71Å; F35-I100 HydrophobicContact CD1-CD1 3.41Å; F35-I100 VanDerWaalsContact CD1-CD1 3.41Å; F35-I100 HydrophobicContact CD1-CG1 4.48Å; F35-I100 HydrophobicContact CD2-CD1 4.27Å; F35-I100 HydrophobicContact CE1-CD1 4.04Å; F35-I100 HydrophobicContact CG-CD1 3.53Å
36	T	97	Very high	97.1	Very high	99 Å²	99	61.9 Å²	61.9	61%	0.607	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.7	137	178.4	-59.3	0	0	0	0	108.7	G40	T36-G40 CarbonylContact C-O 3.48Å; T36-G40 VanDerWaalsContact CA-O 3.24Å; T36-G40 WeakPolarHBondContact CA-O 3.38Å; T36-G40 WeakPolarHBondContact CG2-O 3.29Å
37	G	94.3	Very high	97.1	Very high	17 Å²	17	66.9 Å²	66.9	18%	0.175	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	-162.5	174.4	0	0	0	0	0	111.9	T39 G40	G37-T39 VanDerWaalsContact C-N 3.27Å; G37-T39 PolarHBondContact O-N 2.8Å; G37-G40 PolarHBondContact N-O 3.26Å; G37-G40 PolarHBondContact O-N 2.96Å
38	A	94	Very high	97.3	Very high	98 Å²	98	62.4 Å²	62.4	81%	0.81	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-30.1	-174.4	0	0	0	0	0	112.9	E102	A38-E102 PolarHBondContact N-OE1 3.2Å; A38-E102 PolarHBondContact N-OE2 2.91Å; A38-E102 VanDerWaalsContact N-OE2 3.11Å
39	T	95.8	Very high	97.4	Very high	73 Å²	73	57.8 Å²	57.8	45%	0.448	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	11.5	179.8	65.5	0	0	0	0	113.2	G37 E102 A104 L105	G37-T39 VanDerWaalsContact C-N 3.27Å; G37-T39 PolarHBondContact O-N 2.8Å; T39-E102 WeakPolarHBondContact CA-OE2 3.36Å; T39-E102 VanDerWaalsContact CB-OE2 3.23Å; T39-E102 WeakPolarHBondContact CB-OE2 3.42Å; T39-E102 VanDerWaalsContact CG2-OE2 3.31Å; T39-E102 WeakPolarHBondContact CG2-OE2 3.47Å; T39-E102 PolarHBondContact N-OE2 2.83Å; T39-E102 WeakPolarHBondContact OG1-CB 3.19Å; T39-E102 PolarHBondContact OG1-OE2 3.48Å; T39-A104 HydrophobicContact CG2-CB 4.41Å; T39-A104 WeakPolarHBondContact OG1-CB 3.29Å; T39-L105 HydrophobicContact CG2-CD1 4.46Å
40	G	96.1	Very high	97.5	Very high	29 Å²	29	56.6 Å²	56.6	30%	0.299	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	100.7	-129	-178.4	0	0	0	0	0	112.2	T36 G37 A42	T36-G40 CarbonylContact C-O 3.48Å; T36-G40 VanDerWaalsContact CA-O 3.24Å; T36-G40 WeakPolarHBondContact CA-O 3.38Å; T36-G40 WeakPolarHBondContact CG2-O 3.29Å; G37-G40 PolarHBondContact N-O 3.26Å; G37-G40 PolarHBondContact O-N 2.96Å; G40-A42 PolarHBondContact O-N 3.25Å
41	R	97.9	Very high	97.5	Very high	136 Å²	136	55.7 Å²	55.7	51%	0.513	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	137.3	-171.1	-168.8	172.8	-174.7	-179.4	-2.8	112.1	T33 F43 R103	T33-R41 PolarHBondContact O-NE 3.34Å; T33-R41 VanDerWaalsContact O-NE 3.11Å; T33-R41 PolarHBondContact O-NH2 2.71Å; T33-R41 PolarHBondContact OG1-NH2 3.5Å; R41-F43 HydrophobicContact CG-CE1 4.16Å; R41-R103 HydrophobicContact CB-CB 4.5Å; R41-R103 WeakPolarHBondContact O-CB 3.37Å; R41-R103 PolarHBondContact O-N 3.06Å
42	A	98.5	Very high	97.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	160.1	177.1	0	0	0	0	0	111.2	F35 G40 I100 L101 E102	F35-A42 CarbonylContact C-O 3.56Å; F35-A42 HydrophobicContact CB-CB 4.34Å; F35-A42 WeakPolarHBondContact CB-O 3.21Å; F35-A42 PolarHBondContact N-O 2.85Å; F35-A42 PolarHBondContact O-N 2.7Å; F35-A42 VanDerWaalsContact O-O 3.06Å; G40-A42 PolarHBondContact O-N 3.25Å; A42-I100 HydrophobicContact CB-CG2 3.66Å; A42-L101 WeakPolarHBondContact CA-O 3.48Å; A42-E102 HydrophobicContact CB-CG 4.39Å
43	F	98.7	Very high	97.5	Very high	26 Å²	26	56.8 Å²	56.8	11%	0.114	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	143.4	179.7	-52.9	-33.2	0	0	0	110.2	I30 S32 T33 R41 F45 I100 L101 R103 I106	I30-F43 HydrophobicContact CD1-CD2 4.42Å; S32-F43 WeakPolarHBondContact O-CA 3.49Å; T33-F43 HydrophobicContact CG2-CD1 3.99Å; T33-F43 HydrophobicContact CG2-CE1 4.13Å; R41-F43 HydrophobicContact CG-CE1 4.16Å; F43-F45 HydrophobicContact CB-CD2 4.26Å; F43-F45 HydrophobicContact CB-CE2 3.5Å; F43-F45 VanDerWaalsContact CB-CE2 3.5Å; F43-F45 HydrophobicContact CB-CZ 3.78Å; F43-F45 HydrophobicContact CD2-CE2 4.37Å; F43-F45 HydrophobicContact CD2-CZ 4Å; F43-F45 HydrophobicContact CG-CE2 4.46Å; F43-F45 HydrophobicContact CG-CZ 4.42Å; F43-F45 WeakPolarHBondContact O-CD2 3.39Å; F43-I100 WeakPolarHBondContact O-CA 3.45Å; F43-L101 PolarHBondContact N-O 2.67Å; F43-L101 PolarHBondContact O-N 3.38Å; F43-R103 HydrophobicContact CZ-CB 4.44Å; F43-R103 HydrophobicContact CZ-CG 4.29Å; F43-I106 HydrophobicContact CD2-CD1 4.09Å; F43-I106 HydrophobicContact CE2-CD1 4.45Å
44	L	98.7	Very high	97.5	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.2	172.2	-172.9	74.5	0	0	0	109	L31 S32 F35 Y84 Y94 K98 I100	L31-L44 HydrophobicContact CB-CD2 4.12Å; L31-L44 HydrophobicContact CB-CG 4.33Å; L31-L44 HydrophobicContact CD1-CD2 4.25Å; L31-L44 HydrophobicContact CD1-CG 4.46Å; L31-L44 PolarHBondContact N-O 3.28Å; S32-L44 PolarHBondContact N-O 2.84Å; S32-L44 PolarHBondContact O-N 3.29Å; F35-L44 HydrophobicContact CD2-CB 3.74Å; F35-L44 HydrophobicContact CE2-CB 3.67Å; F35-L44 HydrophobicContact CE2-CD2 3.8Å; F35-L44 HydrophobicContact CE2-CG 4.25Å; F35-L44 HydrophobicContact CG-CB 4.39Å; F35-L44 HydrophobicContact CZ-CB 4.25Å; F35-L44 HydrophobicContact CZ-CD1 4.41Å; F35-L44 HydrophobicContact CZ-CD2 3.81Å; F35-L44 HydrophobicContact CZ-CG 4.4Å; L44-Y84 HydrophobicContact CD1-CD2 4.4Å; L44-Y84 HydrophobicContact CD1-CE2 4.19Å; L44-Y94 HydrophobicContact CD2-CE2 4.41Å; L44-K98 HydrophobicContact CD1-CB 3.61Å; L44-K98 HydrophobicContact CD2-CB 4.38Å; L44-K98 HydrophobicContact CG-CB 4.03Å; L44-I100 HydrophobicContact CB-CD1 3.93Å; L44-I100 HydrophobicContact CD1-CD1 3.53Å; L44-I100 HydrophobicContact CD1-CG1 4.03Å; L44-I100 HydrophobicContact CG-CD1 4.38Å
45	F	98.8	Very high	97.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	145.9	179.6	-65.2	-88.9	0	0	0	111.3	I15 T25 E29 I30 F43 V48 K98 V99 L101 I106	I15-F45 HydrophobicContact CD1-CE1 3.44Å; I15-F45 VanDerWaalsContact CD1-CE1 3.44Å; I15-F45 HydrophobicContact CD1-CZ 3.67Å; T25-F45 HydrophobicContact CG2-CD1 3.51Å; T25-F45 HydrophobicContact CG2-CE1 3.48Å; T25-F45 VanDerWaalsContact CG2-CE1 3.48Å; T25-F45 HydrophobicContact CG2-CG 4.14Å; T25-F45 HydrophobicContact CG2-CZ 4.1Å; E29-F45 HydrophobicContact CB-CD1 4.23Å; E29-F45 CarbonylContact O-C 3.55Å; E29-F45 VanDerWaalsContact O-CA 3.28Å; E29-F45 WeakPolarHBondContact O-CA 3.46Å; I30-F45 HydrophobicContact CB-CE1 4.45Å; I30-F45 HydrophobicContact CD1-CE1 4.05Å; I30-F45 HydrophobicContact CD1-CZ 4.38Å; I30-F45 HydrophobicContact CG1-CD1 3.82Å; I30-F45 HydrophobicContact CG1-CE1 3.28Å; I30-F45 HydrophobicContact CG1-CZ 3.96Å; F43-F45 HydrophobicContact CB-CD2 4.26Å; F43-F45 HydrophobicContact CB-CE2 3.5Å; F43-F45 VanDerWaalsContact CB-CE2 3.5Å; F43-F45 HydrophobicContact CB-CZ 3.78Å; F43-F45 HydrophobicContact CD2-CE2 4.37Å; F43-F45 HydrophobicContact CD2-CZ 4Å; F43-F45 HydrophobicContact CG-CE2 4.46Å; F43-F45 HydrophobicContact CG-CZ 4.42Å; F43-F45 WeakPolarHBondContact O-CD2 3.39Å; F45-V48 HydrophobicContact CB-CG2 3.68Å; F45-V48 HydrophobicContact CD2-CG2 4.43Å; F45-V48 HydrophobicContact CG-CG2 4.11Å; F45-K98 WeakPolarHBondContact O-CB 3.28Å; F45-V99 PolarHBondContact N-O 3.31Å; F45-V99 PolarHBondContact O-N 3.1Å; F45-L101 HydrophobicContact CD2-CB 4.18Å; F45-L101 HydrophobicContact CD2-CD1 3.97Å; F45-L101 HydrophobicContact CD2-CG 3.94Å; F45-L101 HydrophobicContact CE2-CB 3.78Å; F45-L101 HydrophobicContact CE2-CD1 3.84Å; F45-L101 HydrophobicContact CE2-CG 3.95Å; F45-L101 HydrophobicContact CZ-CD1 4.44Å; F45-I106 HydrophobicContact CE2-CD1 4.46Å; F45-I106 HydrophobicContact CZ-CD1 4.31Å
46	N	98.4	Very high	97.7	Very high	68 Å²	68	53.6 Å²	53.6	36%	0.364	30%	0.3	S	S	.	.	S	Bend	trans	-73.4	-46.2	173.2	176.8	70	0	0	0	112.2	E29 L31 K98	E29-N46 PolarHBondContact O-N 2.91Å; E29-N46 VanDerWaalsContact OE2-CB 3.22Å; E29-N46 WeakPolarHBondContact OE2-CB 3.48Å; E29-N46 PolarHBondContact OE2-ND2 2.94Å; L31-N46 HydrophobicContact CD1-CB 3.9Å; L31-N46 HydrophobicContact CD2-CB 4.07Å; L31-N46 HydrophobicContact CG-CB 3.89Å; N46-K98 PolarHBondContact OD1-NZ 3.15Å
47	R	97.8	Very high	97.7	Very high	118 Å²	118	52.3 Å²	52.3	45%	0.445	29%	0.286	S	S	.	.			trans	-136.8	137.4	176.8	-175.2	176.8	-178.2	-145.4	-7.7	111.9	E7 M9 T25 E29	E7-R47 IonicContact OE1-CZ 2.69Å; E7-R47 IonicContact OE1-NH1 3.01Å; E7-R47 IonicContact OE1-NH2 3.02Å; E7-R47 PolarHBondContact OE1-NH2 2.94Å; E7-R47 IonicContact OE2-NH2 3.28Å; M9-R47 HydrophobicContact CE-CB 4.01Å; M9-R47 HydrophobicContact CE-CG 3.98Å; M9-R47 HydrophobicContact SD-CG 4.25Å; T25-R47 WeakPolarHBondContact CB-O 3.32Å; T25-R47 PolarHBondContact OG1-O 2.79Å; E29-R47 HydrophobicContact CG-CB 4.47Å; E29-R47 VanDerWaalsContact OE2-CB 3.3Å; E29-R47 WeakPolarHBondContact OE2-CB 3.36Å; E29-R47 PolarHBondContact OE2-N 3.43Å
48	V	98.7	Very high	97.9	Very high	17 Å²	17	55 Å²	55	10%	0.103	30%	0.297	C	S	.	.			trans	-136.2	132.8	174.8	-179.4	0	0	0	0	108.6	L24 T25 F45 I51 V99 L101	L24-V48 HydrophobicContact CB-CG1 4.06Å; L24-V48 CarbonylContact O-C 3.59Å; L24-V48 WeakPolarHBondContact O-CA 3.36Å; L24-V48 WeakPolarHBondContact O-CG1 3.38Å; T25-V48 HydrophobicContact CG2-CG2 4.35Å; F45-V48 HydrophobicContact CB-CG2 3.68Å; F45-V48 HydrophobicContact CD2-CG2 4.43Å; F45-V48 HydrophobicContact CG-CG2 4.11Å; V48-I51 HydrophobicContact CB-CD1 4.03Å; V48-I51 HydrophobicContact CG1-CD1 3.88Å; V48-I51 HydrophobicContact CG1-CG1 4.28Å; V48-I51 HydrophobicContact CG1-CG2 3.89Å; V48-V99 HydrophobicContact CB-CB 4.22Å; V48-V99 HydrophobicContact CB-CG1 4.17Å; V48-V99 HydrophobicContact CB-CG2 4.23Å; V48-V99 HydrophobicContact CG2-CB 3.69Å; V48-V99 HydrophobicContact CG2-CG1 3.81Å; V48-V99 HydrophobicContact CG2-CG2 4.18Å; V48-L101 HydrophobicContact CG1-CD1 4.05Å; V48-L101 HydrophobicContact CG1-CD2 4.41Å; V48-L101 HydrophobicContact CG2-CD1 3.94Å; V48-L101 HydrophobicContact CG2-CG 4.34Å
49	V	98.5	Very high	98	Very high	9 Å²	9	52.9 Å²	52.9	6%	0.055	27%	0.268	C	S	.	.			trans	-111.6	171.8	-178.9	-59.6	0	0	0	0	111	E7 M9 L24 I51	E7-V49 HydrophobicContact CB-CB 4.16Å; E7-V49 HydrophobicContact CB-CG2 4.18Å; E7-V49 HydrophobicContact CG-CB 4.43Å; E7-V49 HydrophobicContact CG-CG1 4.26Å; E7-V49 HydrophobicContact CG-CG2 4.45Å; E7-V49 WeakPolarHBondContact OE2-CG1 3.5Å; M9-V49 HydrophobicContact CG-CG1 3.97Å; M9-V49 HydrophobicContact CG-CG2 3.8Å; M9-V49 HydrophobicContact SD-CG1 3.95Å; M9-V49 HydrophobicContact SD-CG2 4.21Å; L24-V49 WeakPolarHBondContact O-CG2 3.47Å; L24-V49 PolarHBondContact O-N 3.28Å; V49-I51 PolarHBondContact O-N 3.27Å
50	N	98.6	Very high	98	Very high	15 Å²	15	55.2 Å²	55.2	8%	0.08	28%	0.282	C	S	.	.	S	Bend	trans	56.8	35.5	177.6	-53.2	-42.1	0	0	0	114.3	I6 E7 T22 P23 I74	I6-N50 WeakPolarHBondContact CA-OD1 3.16Å; E7-N50 PolarHBondContact N-ND2 3.42Å; E7-N50 PolarHBondContact N-OD1 3.19Å; E7-N50 PolarHBondContact O-ND2 3.27Å; T22-N50 HydrophobicContact CG2-CB 3.55Å; P23-N50 PolarHBondContact O-ND2 3.43Å; N50-I74 HydrophobicContact CB-CG2 3.81Å; N50-I74 WeakPolarHBondContact O-CB 3.42Å; N50-I74 VanDerWaalsContact O-CG2 3.26Å; N50-I74 WeakPolarHBondContact O-CG2 3.46Å; N50-I74 PolarHBondContact O-N 3.47Å
51	I	98.4	Very high	97.9	Very high	22 Å²	22	56 Å²	56	11%	0.113	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	154.6	175.8	53.9	168.5	0	0	0	110.6	L24 V48 V49 V71 V72 L80 V99	L24-I51 HydrophobicContact CD2-CG2 3.96Å; V48-I51 HydrophobicContact CB-CD1 4.03Å; V48-I51 HydrophobicContact CG1-CD1 3.88Å; V48-I51 HydrophobicContact CG1-CG1 4.28Å; V48-I51 HydrophobicContact CG1-CG2 3.89Å; V49-I51 PolarHBondContact O-N 3.27Å; I51-V71 HydrophobicContact CB-CB 4.3Å; I51-V71 HydrophobicContact CD1-CB 3.94Å; I51-V71 HydrophobicContact CD1-CG1 3.75Å; I51-V71 HydrophobicContact CG2-CB 4.47Å; I51-V72 CarbonylContact C-O 3.53Å; I51-V72 WeakPolarHBondContact CA-O 3.23Å; I51-L80 HydrophobicContact CG2-CD1 4.23Å; I51-V99 HydrophobicContact CD1-CG2 4.49Å
52	V	98.3	Very high	97.5	Very high	70 Å²	70	58.3 Å²	58.3	42%	0.424	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	138.7	170	-180	0	0	0	0	108.1	V71 V72 I74	V52-V71 WeakPolarHBondContact O-CA 3.4Å; V52-V72 HydrophobicContact CB-CG2 3.82Å; V52-V72 PolarHBondContact N-O 3.11Å; V52-V72 PolarHBondContact O-N 3.07Å; V52-I74 HydrophobicContact CG2-CB 4.21Å; V52-I74 HydrophobicContact CG2-CD1 4.41Å; V52-I74 HydrophobicContact CG2-CG1 3.91Å
53	H	98.4	Very high	97.2	Very high	79 Å²	79	60.6 Å²	60.6	37%	0.366	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	137.5	178.3	-62.7	-73.2	0	0	0	111	R69 D70 M83	H53-R69 HydrophobicContact CB-CB 4.19Å; H53-D70 WeakPolarHBondContact CA-O 3.48Å; H53-M83 WeakPolarHBondContact CE1-CE 3.34Å
54	S	98	Very high	97	Very high	34 Å²	34	60 Å²	60	24%	0.238	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	176.4	166.8	76.3	0	0	0	0	111.8	R69 D70	S54-R69 WeakPolarHBondContact O-CD 3.34Å; S54-R69 WeakPolarHBondContact O-CG 3.47Å; S54-R69 PolarHBondContact O-NH1 2.82Å; S54-D70 PolarHBondContact N-O 3.28Å; S54-D70 PolarHBondContact OG-N 2.91Å
55	D	98.1	Very high	96.9	Very high	136 Å²	136	66.3 Å²	66.3	73%	0.727	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.2	156.7	161.6	-64.7	-39.7	0	0	0	111.5
56	I	98.4	Very high	96.9	Very high	78 Å²	78	66.3 Å²	66.3	40%	0.4	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	136.7	178	-59.8	179	0	0	0	109.3	L67 R69 E85	I56-L67 HydrophobicContact CG2-CB 3.82Å; I56-L67 HydrophobicContact CG2-CD1 4.35Å; I56-L67 HydrophobicContact CG2-CD2 4.15Å; I56-L67 HydrophobicContact CG2-CG 4.32Å; I56-R69 HydrophobicContact CG1-CG 4.22Å; I56-E85 HydrophobicContact CD1-CG 4.22Å
57	Q	98	Very high	96.9	Very high	71 Å²	71	65 Å²	65	33%	0.332	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.1	173.5	-60.8	-179.9	26.7	0	0	109.6	L67 V68 D70	Q57-L67 WeakPolarHBondContact O-CA 3.22Å; Q57-V68 HydrophobicContact CB-CG2 4.39Å; Q57-V68 PolarHBondContact N-O 2.9Å; Q57-V68 PolarHBondContact O-N 3.34Å; Q57-D70 PolarHBondContact NE2-OD2 2.86Å
58	D	97.9	Very high	96.9	Very high	73 Å²	73	59.4 Å²	59.4	39%	0.39	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	123.5	172	-163.8	-42.5	0	0	0	109.6	R65 L67	D58-R65 VanDerWaalsContact CG-NE 3.26Å; D58-R65 VanDerWaalsContact OD1-CG 3.26Å; D58-R65 WeakPolarHBondContact OD1-CG 3.38Å; D58-R65 IonicContact OD1-CZ 3.15Å; D58-R65 IonicContact OD1-NE 3.53Å; D58-R65 PolarHBondContact OD1-NE 3.11Å; D58-R65 IonicContact OD1-NH2 3.77Å; D58-R65 IonicContact OD2-CZ 3.83Å; D58-R65 IonicContact OD2-NE 2.67Å; D58-R65 PolarHBondContact OD2-NE 2.91Å; D58-R65 IonicContact OD2-NH2 2.65Å; D58-R65 PolarHBondContact OD2-NH2 2.71Å; D58-L67 HydrophobicContact CB-CD2 4.01Å
59	R	97	Very high	96.9	Very high	55 Å²	55	61.3 Å²	61.3	21%	0.208	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132.8	-179.1	-64.8	-167.3	-172	158.1	-1.3	111.6	M61 H66 V68 D70	R59-M61 HydrophobicContact CB-CE 3.94Å; R59-H66 PolarHBondContact N-O 3.24Å; R59-H66 PolarHBondContact O-N 3.11Å; R59-V68 HydrophobicContact CB-CG2 4.29Å; R59-V68 HydrophobicContact CG-CG2 3.8Å; R59-D70 IonicContact CZ-OD1 3.44Å; R59-D70 VanDerWaalsContact CZ-OD1 3.3Å; R59-D70 IonicContact NH1-OD1 2.94Å; R59-D70 PolarHBondContact NH1-OD1 3.34Å; R59-D70 IonicContact NH2-OD1 3.78Å; R59-D70 PolarHBondContact NH2-OD1 2.78Å; R59-D70 IonicContact NH2-OD2 3.33Å; R59-D70 PolarHBondContact NH2-OD2 2.78Å
60	V	95.2	Very high	96.9	Very high	121 Å²	121	61.7 Å²	61.7	73%	0.733	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	124.2	166.7	-178.6	0	0	0	0	108.4	R65	V60-R65 HydrophobicContact CG2-CG 4.44Å
61	M	93	Very high	96.9	Very high	45 Å²	45	61 Å²	61	22%	0.222	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	176.7	178.6	-59.4	-175.6	-176.7	0	0	109.9	R59 T63 G64 V68 W82 Y84	R59-M61 HydrophobicContact CB-CE 3.94Å; M61-T63 PolarHBondContact O-N 3Å; M61-T63 VanDerWaalsContact O-N 3.12Å; M61-G64 PolarHBondContact N-O 2.96Å; M61-G64 PolarHBondContact O-N 3.15Å; M61-V68 HydrophobicContact CE-CG1 3.87Å; M61-V68 HydrophobicContact CE-CG2 4.49Å; M61-W82 HydrophobicContact CE-CZ2 4.19Å; M61-W82 HydrophobicContact SD-CZ2 4.35Å; M61-Y84 HydrophobicContact CE-CE1 4.43Å; M61-Y84 HydrophobicContact SD-CE1 3.93Å
62	L	90.9	Very high	96.9	Very high	185 Å²	185	61.2 Å²	61.2	97%	0.969	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-32.6	179.4	-69.2	172.6	0	0	0	113.6
63	T	90.9	Very high	96.9	Very high	49 Å²	49	57.9 Å²	57.9	30%	0.301	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	21.4	-178.4	69.1	0	0	0	0	112.7	M61 H66 Q92 K95	M61-T63 PolarHBondContact O-N 3Å; M61-T63 VanDerWaalsContact O-N 3.12Å; T63-H66 PolarHBondContact OG1-CE1 2.91Å; T63-H66 VanDerWaalsContact OG1-CE1 3.27Å; T63-Q92 WeakPolarHBondContact O-CG 3.13Å; T63-Q92 PolarHBondContact OG1-OE1 2.8Å; T63-K95 PolarHBondContact OG1-NZ 2.77Å
64	G	94.4	Very high	96.9	Very high	14 Å²	14	57.1 Å²	57.1	14%	0.144	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	105.6	-169.5	179.5	0	0	0	0	0	115.3	M61 H66 E89	M61-G64 PolarHBondContact N-O 2.96Å; M61-G64 PolarHBondContact O-N 3.15Å; G64-H66 PolarHBondContact O-CE1 3.33Å; G64-H66 PolarHBondContact O-ND1 2.57Å; G64-E89 VanDerWaalsContact CA-OE1 3.28Å; G64-E89 WeakPolarHBondContact CA-OE1 3.26Å
65	R	96.7	Very high	96.9	Very high	133 Å²	133	61.6 Å²	61.6	50%	0.502	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	133.8	-175.5	-170.7	175.2	179	179.2	-2.6	111.5	D58 V60 M88	D58-R65 VanDerWaalsContact CG-NE 3.26Å; D58-R65 VanDerWaalsContact OD1-CG 3.26Å; D58-R65 WeakPolarHBondContact OD1-CG 3.38Å; D58-R65 IonicContact OD1-CZ 3.15Å; D58-R65 IonicContact OD1-NE 3.53Å; D58-R65 PolarHBondContact OD1-NE 3.11Å; D58-R65 IonicContact OD1-NH2 3.77Å; D58-R65 IonicContact OD2-CZ 3.83Å; D58-R65 IonicContact OD2-NE 2.67Å; D58-R65 PolarHBondContact OD2-NE 2.91Å; D58-R65 IonicContact OD2-NH2 2.65Å; D58-R65 PolarHBondContact OD2-NH2 2.71Å; V60-R65 HydrophobicContact CG2-CG 4.44Å; R65-M88 HydrophobicContact CB-CG 4.42Å; R65-M88 PolarHBondContact O-N 3.05Å
66	H	98.3	Very high	96.8	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	146.9	-177.7	-58.4	74.5	0	0	0	110.6	R59 T63 G64 V68 Y84 H86	R59-H66 PolarHBondContact N-O 3.24Å; R59-H66 PolarHBondContact O-N 3.11Å; T63-H66 PolarHBondContact OG1-CE1 2.91Å; T63-H66 VanDerWaalsContact OG1-CE1 3.27Å; G64-H66 PolarHBondContact O-CE1 3.33Å; G64-H66 PolarHBondContact O-ND1 2.57Å; H66-V68 HydrophobicContact CB-CG1 4.01Å; H66-Y84 HydrophobicContact CB-CD1 4.02Å; H66-Y84 HydrophobicContact CB-CE1 4.19Å; H66-Y84 AromaticContact CD2-CD1 3.5Å; H66-Y84 AromaticContact CD2-CE1 3.55Å; H66-Y84 AromaticContact CG-CD1 3.9Å; H66-Y84 AromaticContact CG-CE1 3.8Å; H66-H86 CarbonylContact C-O 3.51Å; H66-H86 WeakPolarHBondContact CA-O 3.31Å
67	L	98.5	Very high	96.8	Very high	40 Å²	40	59.4 Å²	59.4	21%	0.209	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	128.2	160.4	-58.3	-177.6	0	0	0	108.3	I56 Q57 D58 E85 H86 M88	I56-L67 HydrophobicContact CG2-CB 3.82Å; I56-L67 HydrophobicContact CG2-CD1 4.35Å; I56-L67 HydrophobicContact CG2-CD2 4.15Å; I56-L67 HydrophobicContact CG2-CG 4.32Å; Q57-L67 WeakPolarHBondContact O-CA 3.22Å; D58-L67 HydrophobicContact CB-CD2 4.01Å; L67-E85 HydrophobicContact CB-CB 4.13Å; L67-E85 WeakPolarHBondContact O-CB 3.3Å; L67-E85 PolarHBondContact O-N 2.72Å; L67-H86 HydrophobicContact CB-CB 4.06Å; L67-H86 HydrophobicContact CD1-CB 4.09Å; L67-H86 HydrophobicContact CG-CB 4.25Å; L67-H86 PolarHBondContact N-O 2.95Å; L67-H86 PolarHBondContact O-N 2.98Å; L67-M88 HydrophobicContact CD1-CE 4.19Å; L67-M88 HydrophobicContact CD2-CE 4.04Å; L67-M88 HydrophobicContact CG-CE 3.76Å
68	V	98.5	Very high	96.8	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	159.8	-177.5	-57.6	0	0	0	0	111.4	Q57 R59 M61 H66 W82 M83 Y84	Q57-V68 HydrophobicContact CB-CG2 4.39Å; Q57-V68 PolarHBondContact N-O 2.9Å; Q57-V68 PolarHBondContact O-N 3.34Å; R59-V68 HydrophobicContact CB-CG2 4.29Å; R59-V68 HydrophobicContact CG-CG2 3.8Å; M61-V68 HydrophobicContact CE-CG1 3.87Å; M61-V68 HydrophobicContact CE-CG2 4.49Å; H66-V68 HydrophobicContact CB-CG1 4.01Å; V68-W82 HydrophobicContact CB-CB 4.4Å; V68-W82 HydrophobicContact CB-CG 4.39Å; V68-M83 CarbonylContact C-O 3.53Å; V68-M83 WeakPolarHBondContact CA-O 3.48Å; V68-M83 VanDerWaalsContact CB-O 3.29Å; V68-M83 WeakPolarHBondContact CB-O 3.2Å; V68-Y84 HydrophobicContact CG1-CD1 3.9Å; V68-Y84 HydrophobicContact CG1-CE1 4.26Å
69	R	98.7	Very high	96.8	Very high	57 Å²	57	58.3 Å²	58.3	22%	0.215	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.4	169.2	-63.6	178	-179.2	-92.4	8.1	108.8	H53 S54 I56 W82 M83 E85	H53-R69 HydrophobicContact CB-CB 4.19Å; S54-R69 WeakPolarHBondContact O-CD 3.34Å; S54-R69 WeakPolarHBondContact O-CG 3.47Å; S54-R69 PolarHBondContact O-NH1 2.82Å; I56-R69 HydrophobicContact CG1-CG 4.22Å; R69-W82 CarbonylContact O-C 3.59Å; R69-W82 WeakPolarHBondContact O-CA 3.25Å; R69-W82 VanDerWaalsContact O-CB 3.26Å; R69-W82 WeakPolarHBondContact O-CB 3.25Å; R69-M83 PolarHBondContact N-O 3.35Å; R69-M83 PolarHBondContact O-N 3.11Å; R69-E85 WeakPolarHBondContact CD-OE2 3.24Å; R69-E85 IonicContact NE-OE1 3.67Å; R69-E85 IonicContact NE-OE2 3.57Å; R69-E85 PolarHBondContact NE-OE2 2.76Å; R69-E85 IonicContact NH2-OE1 2.77Å
70	D	98.6	Very high	96.9	Very high	17 Å²	17	55.7 Å²	55.7	9%	0.091	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	142.4	170.7	-75.1	-28	0	0	0	109.6	H53 S54 Q57 R59 K79 G81	H53-D70 WeakPolarHBondContact CA-O 3.48Å; S54-D70 PolarHBondContact N-O 3.28Å; S54-D70 PolarHBondContact OG-N 2.91Å; Q57-D70 PolarHBondContact NE2-OD2 2.86Å; R59-D70 IonicContact CZ-OD1 3.44Å; R59-D70 VanDerWaalsContact CZ-OD1 3.3Å; R59-D70 IonicContact NH1-OD1 2.94Å; R59-D70 PolarHBondContact NH1-OD1 3.34Å; R59-D70 IonicContact NH2-OD1 3.78Å; R59-D70 PolarHBondContact NH2-OD1 2.78Å; R59-D70 IonicContact NH2-OD2 3.33Å; R59-D70 PolarHBondContact NH2-OD2 2.78Å; D70-K79 HydrophobicContact CB-CD 4.34Å; D70-K79 WeakPolarHBondContact OD1-CE 3.33Å; D70-K79 IonicContact OD1-NZ 3.32Å; D70-K79 PolarHBondContact OD1-NZ 2.72Å; D70-K79 WeakPolarHBondContact OD2-CE 3.48Å; D70-K79 IonicContact OD2-NZ 2.92Å; D70-K79 PolarHBondContact OD2-NZ 2.76Å; D70-G81 WeakPolarHBondContact CA-O 3.3Å
71	V	98.7	Very high	97.1	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.1	174.6	-58.3	0	0	0	0	109.2	I51 V52 L80 G81 M83 V99 L101	I51-V71 HydrophobicContact CB-CB 4.3Å; I51-V71 HydrophobicContact CD1-CB 3.94Å; I51-V71 HydrophobicContact CD1-CG1 3.75Å; I51-V71 HydrophobicContact CG2-CB 4.47Å; V52-V71 WeakPolarHBondContact O-CA 3.4Å; V71-L80 HydrophobicContact CG2-CB 4.42Å; V71-L80 PolarHBondContact O-N 3.46Å; V71-G81 PolarHBondContact N-O 3.37Å; V71-M83 HydrophobicContact CG1-CB 4.16Å; V71-V99 HydrophobicContact CG1-CG1 4.23Å; V71-V99 HydrophobicContact CG2-CG1 3.96Å; V71-L101 HydrophobicContact CG2-CD2 3.88Å
72	V	98.6	Very high	97.4	Very high	27 Å²	27	48.6 Å²	48.6	16%	0.164	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	148.1	177	-55.5	0	0	0	0	109.9	I51 V52 I74 T78 K79	I51-V72 CarbonylContact C-O 3.53Å; I51-V72 WeakPolarHBondContact CA-O 3.23Å; V52-V72 HydrophobicContact CB-CG2 3.82Å; V52-V72 PolarHBondContact N-O 3.11Å; V52-V72 PolarHBondContact O-N 3.07Å; V72-I74 PolarHBondContact O-N 3.48Å; V72-T78 CarbonylContact C-O 3.53Å; V72-T78 VanDerWaalsContact CA-O 3.25Å; V72-T78 WeakPolarHBondContact CA-O 3.27Å; V72-K79 HydrophobicContact CG1-CB 4.18Å
73	C	98.7	Very high	97.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	130.3	174.8	179.8	0	0	0	0	110.7	C17 C20 K75 C76 N77 T78 L80	C17-C73 HydrophobicContact CB-CB 4.49Å; C20-C73 PolarHBondContact SG-SG 2.86Å; C73-K75 PolarHBondContact O-N 3.5Å; C73-K75 VanDerWaalsContact O-N 3.15Å; C73-C76 VanDerWaalsContact CB-SG 3.53Å; C73-C76 VanDerWaalsContact SG-SG 3.69Å; C73-N77 VanDerWaalsContact O-CA 3.25Å; C73-N77 WeakPolarHBondContact O-CA 3.43Å; C73-N77 PolarHBondContact O-N 3.07Å; C73-T78 PolarHBondContact N-O 3.03Å; C73-L80 HydrophobicContact CB-CD1 3.95Å; C73-L80 HydrophobicContact CB-CG 4.44Å
74	I	97.9	Very high	98.1	Very high	63 Å²	63	39.5 Å²	39.5	32%	0.323	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.5	-179.9	-162.3	167.9	0	0	0	113.6	I4 I6 N50 V52 V72	I4-I74 HydrophobicContact CG2-CD1 4.12Å; I4-I74 HydrophobicContact CG2-CG1 4.19Å; I4-I74 HydrophobicContact CG2-CG2 4.16Å; I6-I74 HydrophobicContact CD1-CG2 3.91Å; N50-I74 HydrophobicContact CB-CG2 3.81Å; N50-I74 WeakPolarHBondContact O-CB 3.42Å; N50-I74 VanDerWaalsContact O-CG2 3.26Å; N50-I74 WeakPolarHBondContact O-CG2 3.46Å; N50-I74 PolarHBondContact O-N 3.47Å; V52-I74 HydrophobicContact CG2-CB 4.21Å; V52-I74 HydrophobicContact CG2-CD1 4.41Å; V52-I74 HydrophobicContact CG2-CG1 3.91Å; V72-I74 PolarHBondContact O-N 3.48Å
75	K	97.4	Very high	98.3	Very high	129 Å²	129	42.5 Å²	42.5	56%	0.561	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-47	-175.6	-176.3	172.9	-177.4	-87.8	0	113.7	C20 T22 C73	C20-K75 HydrophobicContact CB-CD 4.37Å; T22-K75 WeakPolarHBondContact OG1-CB 3.22Å; T22-K75 VanDerWaalsContact OG1-CD 3.29Å; T22-K75 WeakPolarHBondContact OG1-CD 2.92Å; C73-K75 PolarHBondContact O-N 3.5Å; C73-K75 VanDerWaalsContact O-N 3.15Å
76	C	97.6	Very high	98.3	Very high	44 Å²	44	39.9 Å²	39.9	30%	0.297	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-3.1	-174.6	65.9	0	0	0	0	114.2	C20 C73 T78	C20-C76 HydrophobicContact CB-CB 3.8Å; C20-C76 PolarHBondContact SG-SG 2.87Å; C73-C76 VanDerWaalsContact CB-SG 3.53Å; C73-C76 VanDerWaalsContact SG-SG 3.69Å; C76-T78 PolarHBondContact O-N 2.91Å; C76-T78 PolarHBondContact SG-OG1 3.42Å
77	N	97.4	Very high	98.3	Very high	124 Å²	124	40 Å²	40	66%	0.663	20%	0.196	S	C	*	.			trans	60.2	13.5	-179.8	-155.2	54.8	0	0	0	114.9	C73 K79	C73-N77 VanDerWaalsContact O-CA 3.25Å; C73-N77 WeakPolarHBondContact O-CA 3.43Å; C73-N77 PolarHBondContact O-N 3.07Å; N77-K79 PolarHBondContact O-N 2.87Å
78	T	98.4	Very high	98.2	Very high	37 Å²	37	42.2 Å²	42.2	23%	0.227	21%	0.207	C	C	.	.			trans	-69.6	131.1	172.8	-54.9	0	0	0	0	109.9	Y19 V72 C73 C76 L80	Y19-T78 HydrophobicContact CD2-CG2 3.66Å; Y19-T78 HydrophobicContact CE2-CG2 3.65Å; V72-T78 CarbonylContact C-O 3.53Å; V72-T78 VanDerWaalsContact CA-O 3.25Å; V72-T78 WeakPolarHBondContact CA-O 3.27Å; C73-T78 PolarHBondContact N-O 3.03Å; C76-T78 PolarHBondContact O-N 2.91Å; C76-T78 PolarHBondContact SG-OG1 3.42Å; T78-L80 PolarHBondContact O-N 3.25Å
79	K	98.5	Very high	98.1	Very high	84 Å²	84	46.5 Å²	46.5	37%	0.365	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	128.3	169.4	178.1	173.6	170.9	170.1	0	109.8	D70 V72 N77 L105	D70-K79 HydrophobicContact CB-CD 4.34Å; D70-K79 WeakPolarHBondContact OD1-CE 3.33Å; D70-K79 IonicContact OD1-NZ 3.32Å; D70-K79 PolarHBondContact OD1-NZ 2.72Å; D70-K79 WeakPolarHBondContact OD2-CE 3.48Å; D70-K79 IonicContact OD2-NZ 2.92Å; D70-K79 PolarHBondContact OD2-NZ 2.76Å; V72-K79 HydrophobicContact CG1-CB 4.18Å; N77-K79 PolarHBondContact O-N 2.87Å; K79-L105 VanDerWaalsContact O-CD1 3.27Å; K79-L105 WeakPolarHBondContact O-CD1 3.42Å
80	L	98.8	Very high	97.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	-21.2	-176.6	-57.8	170.5	0	0	0	112.8	C17 L24 I51 V71 C73 T78 L101 E102 L105	C17-L80 HydrophobicContact CB-CD2 4.48Å; L24-L80 HydrophobicContact CD1-CD1 3.55Å; L24-L80 HydrophobicContact CD2-CD1 3.76Å; L24-L80 HydrophobicContact CG-CD1 4.32Å; I51-L80 HydrophobicContact CG2-CD1 4.23Å; V71-L80 HydrophobicContact CG2-CB 4.42Å; V71-L80 PolarHBondContact O-N 3.46Å; C73-L80 HydrophobicContact CB-CD1 3.95Å; C73-L80 HydrophobicContact CB-CG 4.44Å; T78-L80 PolarHBondContact O-N 3.25Å; L80-L101 HydrophobicContact CB-CD2 3.79Å; L80-E102 PolarHBondContact O-N 2.99Å; L80-L105 HydrophobicContact CD2-CB 4.09Å; L80-L105 WeakPolarHBondContact CD2-O 3.43Å
81	G	98.6	Very high	97.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.3	-137.7	-179.8	0	0	0	0	0	111.2	D70 V71 I100	D70-G81 WeakPolarHBondContact CA-O 3.3Å; V71-G81 PolarHBondContact N-O 3.37Å; G81-I100 VanDerWaalsContact CA-O 3.3Å; G81-I100 WeakPolarHBondContact CA-O 3.39Å
82	W	98.7	Very high	97.8	Very high	17 Å²	17	56 Å²	56	6%	0.064	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	159.5	178.4	64.2	90.2	0	0	0	113.2	M61 V68 R69 Y84 I100	M61-W82 HydrophobicContact CE-CZ2 4.19Å; M61-W82 HydrophobicContact SD-CZ2 4.35Å; V68-W82 HydrophobicContact CB-CB 4.4Å; V68-W82 HydrophobicContact CB-CG 4.39Å; R69-W82 CarbonylContact O-C 3.59Å; R69-W82 WeakPolarHBondContact O-CA 3.25Å; R69-W82 VanDerWaalsContact O-CB 3.26Å; R69-W82 WeakPolarHBondContact O-CB 3.25Å; W82-Y84 AromaticContact NE1-CE1 3.95Å; W82-Y84 AromaticContact NE1-CE2 3.7Å; W82-Y84 AromaticContact NE1-CZ 3.5Å; W82-I100 HydrophobicContact CD2-CB 4.07Å; W82-I100 HydrophobicContact CD2-CG2 4.29Å; W82-I100 HydrophobicContact CE3-CB 4.43Å; W82-I100 HydrophobicContact CE3-CG2 4.2Å; W82-I100 HydrophobicContact CH2-CB 4.39Å; W82-I100 HydrophobicContact CH2-CG2 3.73Å; W82-I100 HydrophobicContact CZ2-CB 4.03Å; W82-I100 HydrophobicContact CZ2-CG1 3.9Å; W82-I100 HydrophobicContact CZ2-CG2 3.83Å; W82-I100 HydrophobicContact CZ3-CG2 3.92Å; W82-I100 PolarHBondContact N-O 3.07Å; W82-I100 VanDerWaalsContact N-O 3.11Å; W82-I100 PolarHBondContact O-N 2.93Å
83	M	98.7	Very high	97.7	Very high	37 Å²	37	61.2 Å²	61.2	18%	0.182	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	142.8	168.1	-179.1	-166.3	-91.4	0	0	109.7	H53 V68 R69 V71 K98 V99	H53-M83 WeakPolarHBondContact CE1-CE 3.34Å; V68-M83 CarbonylContact C-O 3.53Å; V68-M83 WeakPolarHBondContact CA-O 3.48Å; V68-M83 VanDerWaalsContact CB-O 3.29Å; V68-M83 WeakPolarHBondContact CB-O 3.2Å; R69-M83 PolarHBondContact N-O 3.35Å; R69-M83 PolarHBondContact O-N 3.11Å; V71-M83 HydrophobicContact CG1-CB 4.16Å; M83-K98 WeakPolarHBondContact CA-O 3.43Å; M83-V99 HydrophobicContact CB-CG2 4.14Å; M83-V99 HydrophobicContact CE-CG2 3.98Å; M83-V99 HydrophobicContact CG-CG2 4.16Å
84	Y	98.4	Very high	97.6	Very high	6 Å²	6	67.6 Å²	67.6	2%	0.024	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	116.3	168.1	-68.2	-84.6	0	0	0	110.4	L44 M61 H66 V68 W82 K95 G97 K98 I100	L44-Y84 HydrophobicContact CD1-CD2 4.4Å; L44-Y84 HydrophobicContact CD1-CE2 4.19Å; M61-Y84 HydrophobicContact CE-CE1 4.43Å; M61-Y84 HydrophobicContact SD-CE1 3.93Å; H66-Y84 HydrophobicContact CB-CD1 4.02Å; H66-Y84 HydrophobicContact CB-CE1 4.19Å; H66-Y84 AromaticContact CD2-CD1 3.5Å; H66-Y84 AromaticContact CD2-CE1 3.55Å; H66-Y84 AromaticContact CG-CD1 3.9Å; H66-Y84 AromaticContact CG-CE1 3.8Å; V68-Y84 HydrophobicContact CG1-CD1 3.9Å; V68-Y84 HydrophobicContact CG1-CE1 4.26Å; W82-Y84 AromaticContact NE1-CE1 3.95Å; W82-Y84 AromaticContact NE1-CE2 3.7Å; W82-Y84 AromaticContact NE1-CZ 3.5Å; Y84-K95 VanDerWaalsContact CB-O 3.26Å; Y84-K95 WeakPolarHBondContact CB-O 3.14Å; Y84-K95 HydrophobicContact CD1-CB 4.3Å; Y84-K95 HydrophobicContact CD1-CD 4.49Å; Y84-K95 HydrophobicContact CD2-CB 3.75Å; Y84-K95 HydrophobicContact CD2-CD 4.42Å; Y84-K95 HydrophobicContact CE1-CD 4.1Å; Y84-K95 HydrophobicContact CE2-CB 4.14Å; Y84-K95 HydrophobicContact CE2-CD 4Å; Y84-K95 HydrophobicContact CE2-CG 4.47Å; Y84-K95 HydrophobicContact CG-CB 3.83Å; Y84-G97 PolarHBondContact O-N 3.02Å; Y84-K98 PolarHBondContact N-O 3.14Å; Y84-I100 HydrophobicContact CE2-CD1 4.33Å; Y84-I100 HydrophobicContact CE2-CG1 3.71Å
85	E	98.2	Very high	97.6	Very high	77 Å²	77	64.8 Å²	64.8	36%	0.36	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-48.2	174.1	-169.3	88.1	169.3	0	0	110.3	I56 L67 R69	I56-E85 HydrophobicContact CD1-CG 4.22Å; L67-E85 HydrophobicContact CB-CB 4.13Å; L67-E85 WeakPolarHBondContact O-CB 3.3Å; L67-E85 PolarHBondContact O-N 2.72Å; R69-E85 WeakPolarHBondContact CD-OE2 3.24Å; R69-E85 IonicContact NE-OE1 3.67Å; R69-E85 IonicContact NE-OE2 3.57Å; R69-E85 PolarHBondContact NE-OE2 2.76Å; R69-E85 IonicContact NH2-OE1 2.77Å
86	H	98.2	Very high	97.6	Very high	78 Å²	78	60.8 Å²	60.8	36%	0.361	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	142.6	-176.9	-174.4	50.2	0	0	0	111.6	H66 L67 E96	H66-H86 CarbonylContact C-O 3.51Å; H66-H86 WeakPolarHBondContact CA-O 3.31Å; L67-H86 HydrophobicContact CB-CB 4.06Å; L67-H86 HydrophobicContact CD1-CB 4.09Å; L67-H86 HydrophobicContact CG-CB 4.25Å; L67-H86 PolarHBondContact N-O 2.95Å; L67-H86 PolarHBondContact O-N 2.98Å; H86-E96 WeakPolarHBondContact CA-OE1 3.38Å; H86-E96 IonicContact CE1-OE1 2.88Å; H86-E96 IonicContact CG-OE1 3.84Å; H86-E96 IonicContact ND1-OE1 2.88Å; H86-E96 PolarHBondContact ND1-OE1 3.27Å
87	A	97.6	Very high	97.7	Very high	2 Å²	2	60.7 Å²	60.7	2%	0.017	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.8	172.9	0	0	0	0	0	110.7	E89 Q92 E96	A87-E89 VanDerWaalsContact C-N 3.31Å; A87-E89 PolarHBondContact O-N 2.94Å; A87-Q92 HydrophobicContact CB-CB 3.89Å; A87-E96 HydrophobicContact CB-CG 4.37Å; A87-E96 PolarHBondContact N-OE1 3.04Å
88	M	96.1	Very high	97.7	Very high	88 Å²	88	57.1 Å²	57.1	43%	0.433	28%	0.277	S	S	.	.	S	Bend	trans	-74.6	-26.4	-177.6	-79.2	47.5	-178.1	0	0	112	R65 L67	R65-M88 HydrophobicContact CB-CG 4.42Å; R65-M88 PolarHBondContact O-N 3.05Å; L67-M88 HydrophobicContact CD1-CE 4.19Å; L67-M88 HydrophobicContact CD2-CE 4.04Å; L67-M88 HydrophobicContact CG-CE 3.76Å
89	E	95.9	Very high	97.8	Very high	89 Å²	89	55.4 Å²	55.4	42%	0.416	27%	0.267	S	S	.	.	S	Bend	trans	-95.4	127.6	177.1	-66.3	178.4	-151.3	0	0	110.3	G64 A87 S91 Q92	G64-E89 VanDerWaalsContact CA-OE1 3.28Å; G64-E89 WeakPolarHBondContact CA-OE1 3.26Å; A87-E89 VanDerWaalsContact C-N 3.31Å; A87-E89 PolarHBondContact O-N 2.94Å; E89-S91 PolarHBondContact O-N 3.23Å; E89-Q92 HydrophobicContact CB-CB 4.47Å; E89-Q92 HydrophobicContact CB-CG 4.02Å; E89-Q92 PolarHBondContact O-N 3.41Å
90	E	95.6	Very high	97.8	Very high	169 Å²	169	51.4 Å²	51.4	79%	0.79	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-56	-38.6	-178.6	-172	174.2	-169.6	0	0	112.4	Q92 R93	E90-Q92 PolarHBondContact O-N 3.06Å; E90-R93 WeakPolarHBondContact O-CB 3.48Å; E90-R93 PolarHBondContact O-N 2.91Å; E90-R93 VanDerWaalsContact O-N 3.15Å
91	S	96.7	Very high	97.8	Very high	78 Å²	78	51.4 Å²	51.4	55%	0.545	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-61.3	-17.5	177.9	71.4	0	0	0	0	114	E89 Y94	E89-S91 PolarHBondContact O-N 3.23Å; S91-Y94 WeakPolarHBondContact O-CD1 3.16Å; S91-Y94 WeakPolarHBondContact O-CE1 3.45Å
92	Q	97.1	Very high	97.8	Very high	26 Å²	26	51.7 Å²	51.7	12%	0.121	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-105	-1.8	-177.8	-54.1	-53.7	-52.6	0	0	113.4	T63 A87 E89 E90 Y94 K95	T63-Q92 WeakPolarHBondContact O-CG 3.13Å; T63-Q92 PolarHBondContact OG1-OE1 2.8Å; A87-Q92 HydrophobicContact CB-CB 3.89Å; E89-Q92 HydrophobicContact CB-CB 4.47Å; E89-Q92 HydrophobicContact CB-CG 4.02Å; E89-Q92 PolarHBondContact O-N 3.41Å; E90-Q92 PolarHBondContact O-N 3.06Å; Q92-Y94 PolarHBondContact O-N 2.99Å; Q92-Y94 VanDerWaalsContact O-N 3.14Å; Q92-K95 WeakPolarHBondContact O-CB 3.26Å; Q92-K95 WeakPolarHBondContact O-CG 3.26Å; Q92-K95 PolarHBondContact O-N 2.81Å
93	R	96.9	Very high	97.8	Very high	138 Å²	138	58.2 Å²	58.2	52%	0.521	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-62.5	-22	-176.9	-70.1	-173.8	71.9	-173.2	2.6	114.5	E90 K95 E96	E90-R93 WeakPolarHBondContact O-CB 3.48Å; E90-R93 PolarHBondContact O-N 2.91Å; E90-R93 VanDerWaalsContact O-N 3.15Å; R93-K95 PolarHBondContact O-N 2.93Å; R93-E96 IonicContact NE-OE2 3.52Å; R93-E96 PolarHBondContact NE-OE2 2.69Å; R93-E96 IonicContact NH2-OE2 3.57Å; R93-E96 WeakPolarHBondContact O-CB 3.49Å; R93-E96 WeakPolarHBondContact O-CG 3.5Å; R93-E96 PolarHBondContact O-N 3.44Å
94	Y	97.1	Very high	97.7	Very high	134 Å²	134	58.9 Å²	58.9	53%	0.525	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-59.8	-18	173.5	75	-91.4	0	0	0	113.4	L44 S91 Q92 K98	L44-Y94 HydrophobicContact CD2-CE2 4.41Å; S91-Y94 WeakPolarHBondContact O-CD1 3.16Å; S91-Y94 WeakPolarHBondContact O-CE1 3.45Å; Q92-Y94 PolarHBondContact O-N 2.99Å; Q92-Y94 VanDerWaalsContact O-N 3.14Å; Y94-K98 WeakPolarHBondContact O-CG 3.25Å
95	K	97.9	Very high	97.8	Very high	3 Å²	3	59.6 Å²	59.6	1%	0.013	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-80.9	-19.7	176.1	-59.5	179.8	-168.4	170.3	0	113	F35 T63 Y84 Q92 R93 G97 K98	F35-K95 HydrophobicContact CE1-CD 4.29Å; F35-K95 HydrophobicContact CZ-CD 4.47Å; T63-K95 PolarHBondContact OG1-NZ 2.77Å; Y84-K95 VanDerWaalsContact CB-O 3.26Å; Y84-K95 WeakPolarHBondContact CB-O 3.14Å; Y84-K95 HydrophobicContact CD1-CB 4.3Å; Y84-K95 HydrophobicContact CD1-CD 4.49Å; Y84-K95 HydrophobicContact CD2-CB 3.75Å; Y84-K95 HydrophobicContact CD2-CD 4.42Å; Y84-K95 HydrophobicContact CE1-CD 4.1Å; Y84-K95 HydrophobicContact CE2-CB 4.14Å; Y84-K95 HydrophobicContact CE2-CD 4Å; Y84-K95 HydrophobicContact CE2-CG 4.47Å; Y84-K95 HydrophobicContact CG-CB 3.83Å; Q92-K95 WeakPolarHBondContact O-CB 3.26Å; Q92-K95 WeakPolarHBondContact O-CG 3.26Å; Q92-K95 PolarHBondContact O-N 2.81Å; R93-K95 PolarHBondContact O-N 2.93Å; K95-G97 PolarHBondContact O-N 2.79Å; K95-K98 WeakPolarHBondContact O-CB 3.48Å; K95-K98 VanDerWaalsContact O-CG 3.25Å; K95-K98 WeakPolarHBondContact O-CG 3.3Å; K95-K98 PolarHBondContact O-N 3.01Å
96	E	98.3	Very high	97.8	Very high	46 Å²	46	56.6 Å²	56.6	22%	0.215	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	133.8	-177.4	-64.8	-179.1	158.6	0	0	110.9	H86 A87 R93 K98	H86-E96 WeakPolarHBondContact CA-OE1 3.38Å; H86-E96 IonicContact CE1-OE1 2.88Å; H86-E96 IonicContact CG-OE1 3.84Å; H86-E96 IonicContact ND1-OE1 2.88Å; H86-E96 PolarHBondContact ND1-OE1 3.27Å; A87-E96 HydrophobicContact CB-CG 4.37Å; A87-E96 PolarHBondContact N-OE1 3.04Å; R93-E96 IonicContact NE-OE2 3.52Å; R93-E96 PolarHBondContact NE-OE2 2.69Å; R93-E96 IonicContact NH2-OE2 3.57Å; R93-E96 WeakPolarHBondContact O-CB 3.49Å; R93-E96 WeakPolarHBondContact O-CG 3.5Å; R93-E96 PolarHBondContact O-N 3.44Å; E96-K98 PolarHBondContact O-N 3.38Å
97	G	98.2	Very high	97.8	Very high	42 Å²	42	55.4 Å²	55.4	43%	0.433	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	-4.2	-174	0	0	0	0	0	115.3	Y84 K95	Y84-G97 PolarHBondContact O-N 3.02Å; K95-G97 PolarHBondContact O-N 2.79Å
98	K	98.7	Very high	97.8	Very high	48 Å²	48	59 Å²	59	21%	0.209	29%	0.289	C	S	.	.			trans	-88.6	152.5	179.5	-48.5	-52.4	177	-167.6	0	111.2	L31 L44 F45 N46 M83 Y84 Y94 K95 E96	L31-K98 HydrophobicContact CD1-CD 3.62Å; L31-K98 HydrophobicContact CD1-CG 3.96Å; L44-K98 HydrophobicContact CD1-CB 3.61Å; L44-K98 HydrophobicContact CD2-CB 4.38Å; L44-K98 HydrophobicContact CG-CB 4.03Å; F45-K98 WeakPolarHBondContact O-CB 3.28Å; N46-K98 PolarHBondContact OD1-NZ 3.15Å; M83-K98 WeakPolarHBondContact CA-O 3.43Å; Y84-K98 PolarHBondContact N-O 3.14Å; Y94-K98 WeakPolarHBondContact O-CG 3.25Å; K95-K98 WeakPolarHBondContact O-CB 3.48Å; K95-K98 VanDerWaalsContact O-CG 3.25Å; K95-K98 WeakPolarHBondContact O-CG 3.3Å; K95-K98 PolarHBondContact O-N 3.01Å; E96-K98 PolarHBondContact O-N 3.38Å
99	V	98.9	Very high	97.7	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.012	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.4	-173.7	-176.7	0	0	0	0	110.6	F45 V48 I51 V71 M83 L101	F45-V99 PolarHBondContact N-O 3.31Å; F45-V99 PolarHBondContact O-N 3.1Å; V48-V99 HydrophobicContact CB-CB 4.22Å; V48-V99 HydrophobicContact CB-CG1 4.17Å; V48-V99 HydrophobicContact CB-CG2 4.23Å; V48-V99 HydrophobicContact CG2-CB 3.69Å; V48-V99 HydrophobicContact CG2-CG1 3.81Å; V48-V99 HydrophobicContact CG2-CG2 4.18Å; I51-V99 HydrophobicContact CD1-CG2 4.49Å; V71-V99 HydrophobicContact CG1-CG1 4.23Å; V71-V99 HydrophobicContact CG2-CG1 3.96Å; M83-V99 HydrophobicContact CB-CG2 4.14Å; M83-V99 HydrophobicContact CE-CG2 3.98Å; M83-V99 HydrophobicContact CG-CG2 4.16Å; V99-L101 HydrophobicContact CG1-CD2 3.91Å; V99-L101 HydrophobicContact CG1-CG 4.24Å
100	I	98.7	Very high	97.6	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	126.4	166.6	-65.6	-69.2	0	0	0	108.6	F35 A42 F43 L44 G81 W82 Y84	F35-I100 HydrophobicContact CB-CD1 3.71Å; F35-I100 HydrophobicContact CD1-CD1 3.41Å; F35-I100 VanDerWaalsContact CD1-CD1 3.41Å; F35-I100 HydrophobicContact CD1-CG1 4.48Å; F35-I100 HydrophobicContact CD2-CD1 4.27Å; F35-I100 HydrophobicContact CE1-CD1 4.04Å; F35-I100 HydrophobicContact CG-CD1 3.53Å; A42-I100 HydrophobicContact CB-CG2 3.66Å; F43-I100 WeakPolarHBondContact O-CA 3.45Å; L44-I100 HydrophobicContact CB-CD1 3.93Å; L44-I100 HydrophobicContact CD1-CD1 3.53Å; L44-I100 HydrophobicContact CD1-CG1 4.03Å; L44-I100 HydrophobicContact CG-CD1 4.38Å; G81-I100 VanDerWaalsContact CA-O 3.3Å; G81-I100 WeakPolarHBondContact CA-O 3.39Å; W82-I100 HydrophobicContact CD2-CB 4.07Å; W82-I100 HydrophobicContact CD2-CG2 4.29Å; W82-I100 HydrophobicContact CE3-CB 4.43Å; W82-I100 HydrophobicContact CE3-CG2 4.2Å; W82-I100 HydrophobicContact CH2-CB 4.39Å; W82-I100 HydrophobicContact CH2-CG2 3.73Å; W82-I100 HydrophobicContact CZ2-CB 4.03Å; W82-I100 HydrophobicContact CZ2-CG1 3.9Å; W82-I100 HydrophobicContact CZ2-CG2 3.83Å; W82-I100 HydrophobicContact CZ3-CG2 3.92Å; W82-I100 PolarHBondContact N-O 3.07Å; W82-I100 VanDerWaalsContact N-O 3.11Å; W82-I100 PolarHBondContact O-N 2.93Å; Y84-I100 HydrophobicContact CE2-CD1 4.33Å; Y84-I100 HydrophobicContact CE2-CG1 3.71Å
101	L	98.8	Very high	97.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.9	164	-53.5	174.1	0	0	0	109.5	L24 T25 A42 F43 F45 V48 V71 L80 V99 I106	L24-L101 HydrophobicContact CB-CD1 4.4Å; L24-L101 HydrophobicContact CD1-CD1 4.22Å; T25-L101 HydrophobicContact CG2-CD1 4.28Å; A42-L101 WeakPolarHBondContact CA-O 3.48Å; F43-L101 PolarHBondContact N-O 2.67Å; F43-L101 PolarHBondContact O-N 3.38Å; F45-L101 HydrophobicContact CD2-CB 4.18Å; F45-L101 HydrophobicContact CD2-CD1 3.97Å; F45-L101 HydrophobicContact CD2-CG 3.94Å; F45-L101 HydrophobicContact CE2-CB 3.78Å; F45-L101 HydrophobicContact CE2-CD1 3.84Å; F45-L101 HydrophobicContact CE2-CG 3.95Å; F45-L101 HydrophobicContact CZ-CD1 4.44Å; V48-L101 HydrophobicContact CG1-CD1 4.05Å; V48-L101 HydrophobicContact CG1-CD2 4.41Å; V48-L101 HydrophobicContact CG2-CD1 3.94Å; V48-L101 HydrophobicContact CG2-CG 4.34Å; V71-L101 HydrophobicContact CG2-CD2 3.88Å; L80-L101 HydrophobicContact CB-CD2 3.79Å; V99-L101 HydrophobicContact CG1-CD2 3.91Å; V99-L101 HydrophobicContact CG1-CG 4.24Å; L101-I106 HydrophobicContact CB-CD1 4.15Å; L101-I106 HydrophobicContact CB-CG2 3.96Å; L101-I106 HydrophobicContact CD1-CG2 4.17Å
102	E	98.8	Very high	96.2	Very high	6 Å²	6	58.4 Å²	58.4	3%	0.028	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	130.5	-178.8	-57.7	-169.2	-149.1	0	0	110.8	A38 T39 A42 L80 A104 L105	A38-E102 PolarHBondContact N-OE1 3.2Å; A38-E102 PolarHBondContact N-OE2 2.91Å; A38-E102 VanDerWaalsContact N-OE2 3.11Å; T39-E102 WeakPolarHBondContact CA-OE2 3.36Å; T39-E102 VanDerWaalsContact CB-OE2 3.23Å; T39-E102 WeakPolarHBondContact CB-OE2 3.42Å; T39-E102 VanDerWaalsContact CG2-OE2 3.31Å; T39-E102 WeakPolarHBondContact CG2-OE2 3.47Å; T39-E102 PolarHBondContact N-OE2 2.83Å; T39-E102 WeakPolarHBondContact OG1-CB 3.19Å; T39-E102 PolarHBondContact OG1-OE2 3.48Å; A42-E102 HydrophobicContact CB-CG 4.39Å; L80-E102 PolarHBondContact O-N 2.99Å; E102-A104 PolarHBondContact O-N 3.18Å; E102-A104 VanDerWaalsContact O-N 3.11Å; E102-L105 HydrophobicContact CB-CD1 3.93Å; E102-L105 HydrophobicContact CB-CG 4.2Å; E102-L105 HydrophobicContact CG-CD1 4.41Å; E102-L105 PolarHBondContact O-N 2.9Å
103	R	98.3	Very high	94.7	Very high	153 Å²	153	60.2 Å²	60.2	58%	0.577	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-58.4	-32	-173	178.6	180	160.5	-92.6	-2	112.5	R41 F43 L105	R41-R103 HydrophobicContact CB-CB 4.5Å; R41-R103 WeakPolarHBondContact O-CB 3.37Å; R41-R103 PolarHBondContact O-N 3.06Å; F43-R103 HydrophobicContact CZ-CB 4.44Å; F43-R103 HydrophobicContact CZ-CG 4.29Å; R103-L105 PolarHBondContact O-N 2.96Å
104	A	98.3	Very high	93.2	Very high	52 Å²	52	58.2 Å²	58.2	43%	0.43	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-68.9	-17.2	179.6	0	0	0	0	0	113.5	T39 E102	T39-A104 HydrophobicContact CG2-CB 4.41Å; T39-A104 WeakPolarHBondContact OG1-CB 3.29Å; E102-A104 PolarHBondContact O-N 3.18Å; E102-A104 VanDerWaalsContact O-N 3.11Å
105	L	98.7	Very high	91.6	Very high	20 Å²	20	58 Å²	58	11%	0.105	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-110.2	-1	-170.9	-52	175.2	0	0	0	112.6	Q18 Y19 T39 K79 L80 E102 R103	Q18-L105 WeakPolarHBondContact CB-O 3.16Å; Q18-L105 PolarHBondContact N-O 2.77Å; Q18-L105 VanDerWaalsContact N-O 3.1Å; Y19-L105 HydrophobicContact CE2-CD2 3.98Å; T39-L105 HydrophobicContact CG2-CD1 4.46Å; K79-L105 VanDerWaalsContact O-CD1 3.27Å; K79-L105 WeakPolarHBondContact O-CD1 3.42Å; L80-L105 HydrophobicContact CD2-CB 4.09Å; L80-L105 WeakPolarHBondContact CD2-O 3.43Å; E102-L105 HydrophobicContact CB-CD1 3.93Å; E102-L105 HydrophobicContact CB-CG 4.2Å; E102-L105 HydrophobicContact CG-CD1 4.41Å; E102-L105 PolarHBondContact O-N 2.9Å; R103-L105 PolarHBondContact O-N 2.96Å
106	I	98.6	Very high	90.2	Very high	14 Å²	14	65.1 Å²	65.1	7%	0.072	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	155.4	178.3	63	177.4	0	0	0	110.8	I15 H16 L24 F43 F45 L101	I15-I106 HydrophobicContact CG2-CB 3.9Å; I15-I106 HydrophobicContact CG2-CD1 3.84Å; I15-I106 HydrophobicContact CG2-CG1 4.3Å; I15-I106 HydrophobicContact CG2-CG2 4.28Å; H16-I106 CarbonylContact O-C 3.55Å; H16-I106 WeakPolarHBondContact O-CA 3.44Å; H16-I106 WeakPolarHBondContact O-CB 3.42Å; L24-I106 HydrophobicContact CD1-CG2 3.9Å; F43-I106 HydrophobicContact CD2-CD1 4.09Å; F43-I106 HydrophobicContact CE2-CD1 4.45Å; F45-I106 HydrophobicContact CE2-CD1 4.46Å; F45-I106 HydrophobicContact CZ-CD1 4.31Å; L101-I106 HydrophobicContact CB-CD1 4.15Å; L101-I106 HydrophobicContact CB-CG2 3.96Å; L101-I106 HydrophobicContact CD1-CG2 4.17Å
107	M	98.2	Very high	88.4	Confident	53 Å²	53	64.9 Å²	64.9	26%	0.261	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154.3	172.4	63.7	-176.2	-70.9	0	0	109.9	I15 H16 Q18 E21 T109	I15-M107 CarbonylContact C-O 3.57Å; I15-M107 WeakPolarHBondContact CA-O 3.37Å; H16-M107 HydrophobicContact CB-CG 3.83Å; H16-M107 PolarHBondContact N-O 3.44Å; H16-M107 PolarHBondContact O-N 2.88Å; Q18-M107 PolarHBondContact OE1-SD 2.92Å; E21-M107 HydrophobicContact CG-SD 4.2Å; M107-T109 HydrophobicContact CE-CG2 3.88Å
108	E	97.3	Very high	86.4	Confident	78 Å²	78	71.2 Å²	71.2	36%	0.364	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.8	179.5	-171.1	-179.2	163.7	0	0	109	R13 I14 I15 R27	R13-E108 HydrophobicContact CB-CG 4.29Å; R13-E108 WeakPolarHBondContact CB-OE1 3.42Å; R13-E108 WeakPolarHBondContact CD-OE1 3.28Å; R13-E108 IonicContact NH1-OE1 3.54Å; I14-E108 CarbonylContact O-C 3.46Å; I14-E108 VanDerWaalsContact O-CA 3.3Å; I14-E108 WeakPolarHBondContact O-CA 3.4Å; I15-E108 HydrophobicContact CG1-CB 4.45Å; I15-E108 HydrophobicContact CG1-CG 4.27Å; R27-E108 VanDerWaalsContact CD-OE1 3.22Å; R27-E108 WeakPolarHBondContact CD-OE1 3.49Å; R27-E108 IonicContact CZ-OE1 2.93Å; R27-E108 IonicContact NE-OE1 3.3Å; R27-E108 PolarHBondContact NE-OE1 2.94Å; R27-E108 IonicContact NH1-OE1 2.79Å; R27-E108 PolarHBondContact NH1-OE1 3.12Å; R27-E108 IonicContact NH1-OE2 3.64Å; R27-E108 PolarHBondContact NH1-OE2 3.03Å
109	T	95.8	Very high	84.4	Confident	51 Å²	51	78.5 Å²	78.5	31%	0.313	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	161.1	177.5	61.3	0	0	0	0	110	R13 I14 H16 M107 G111	R13-T109 WeakPolarHBondContact CA-O 3.37Å; I14-T109 PolarHBondContact N-O 3.32Å; I14-T109 PolarHBondContact O-N 2.94Å; H16-T109 PolarHBondContact CD2-OG1 2.91Å; H16-T109 VanDerWaalsContact CD2-OG1 3.24Å; H16-T109 PolarHBondContact NE2-OG1 2.91Å; M107-T109 HydrophobicContact CE-CG2 3.88Å; T109-G111 PolarHBondContact O-N 3.19Å
110	E	92.9	Very high	82	Confident	175 Å²	175	90.8 Å²	90.8	82%	0.818	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	127.6	169.4	-65.6	-173.2	162.9	0	0	109.4
111	G	85.3	Confident	81.1	Confident	22 Å²	22	95.3 Å²	95.3	23%	0.227	51%	0.507	C	S	.	.			trans	-83.6	176.2	170.4	0	0	0	0	0	111.3	G11 H12 T109 A113	G11-G111 WeakPolarHBondContact O-CA 3.47Å; H12-G111 PolarHBondContact O-N 2.89Å; T109-G111 PolarHBondContact O-N 3.19Å; G111-A113 PolarHBondContact O-N 3.49Å
112	L	77.3	Confident	80.2	Confident	163 Å²	163	100.3 Å²	100.3	85%	0.853	53%	0.533	S	S	*	.			trans	-71.3	125.9	171.2	-64.2	168.8	0	0	0	108.5	D114	L112-D114 PolarHBondContact O-N 3.3Å
113	A	66.3	Low	79.2	Confident	65 Å²	65	105.6 Å²	105.6	54%	0.537	56%	0.561	S	S	.	*			trans	-58.8	132.2	163.2	0	0	0	0	0	107.6	G111 P115	G111-A113 PolarHBondContact O-N 3.49Å; A113-P115 WeakPolarHBondContact O-CD 3.4Å; A113-P115 VanDerWaalsContact O-N 3.09Å
114	D	64.8	Low	78	Confident	95 Å²	95	102.8 Å²	102.8	51%	0.508	56%	0.56	S	S	.	*			trans	-60.9	112.7	169.3	-175.5	-8.3	0	0	0	107.2	L112 L116 G117	L112-D114 PolarHBondContact O-N 3.3Å; D114-L116 PolarHBondContact O-N 2.89Å; D114-L116 VanDerWaalsContact O-N 3.11Å; D114-L116 WeakPolarHBondContact OD1-CB 3.26Å; D114-L116 PolarHBondContact OD1-N 2.86Å; D114-G117 VanDerWaalsContact CG-N 3.34Å; D114-G117 PolarHBondContact O-N 2.85Å; D114-G117 PolarHBondContact OD1-N 2.77Å
115	P	64	Low	76.8	Confident	129 Å²	129	105.9 Å²	105.9	84%	0.838	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-14.8	-179.8	6.5	0.8	0	0	0	112.3	A113	A113-P115 WeakPolarHBondContact O-CD 3.4Å; A113-P115 VanDerWaalsContact O-N 3.09Å
116	L	67.3	Low	75.3	Confident	153 Å²	153	111.7 Å²	111.7	80%	0.801	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	1.3	176	-60.3	169.6	0	0	0	112.3	D114 E118	D114-L116 PolarHBondContact O-N 2.89Å; D114-L116 VanDerWaalsContact O-N 3.11Å; D114-L116 WeakPolarHBondContact OD1-CB 3.26Å; D114-L116 PolarHBondContact OD1-N 2.86Å; L116-E118 PolarHBondContact O-N 2.88Å
117	G	60.6	Low	73.6	Confident	42 Å²	42	118.6 Å²	118.6	43%	0.433	64%	0.637	S	S	.	*			trans	-68.9	96.6	-179.7	0	0	0	0	0	110.1	D114 E119	D114-G117 VanDerWaalsContact CG-N 3.34Å; D114-G117 PolarHBondContact O-N 2.85Å; D114-G117 PolarHBondContact OD1-N 2.77Å; G117-E119 PolarHBondContact O-N 2.88Å
118	E	56.8	Low	71.8	Confident	175 Å²	175	123.7 Å²	123.7	82%	0.818	67%	0.666	S	S	*	*			trans	-50.7	120.4	162.9	-62.7	176.8	145	0	0	107.9	L116 Q120	L116-E118 PolarHBondContact O-N 2.88Å; E118-Q120 PolarHBondContact O-N 2.65Å
119	E	56	Low	69.6	Low	200 Å²	200	127.5 Å²	127.5	94%	0.935	69%	0.691	S	S	*	*			trans	-58	104.2	170.2	-61.4	172.8	101.2	0	0	107.5	G117	G117-E119 PolarHBondContact O-N 2.88Å
120	Q	48.5	Very low	67.2	Low	260 Å²	260	134.5 Å²	134.5	100%	1.215	73%	0.726	S	S	*	*			trans	-79.5	0	168.1	-74.4	-171.4	13.4	0	0	110.9	E118	E118-Q120 PolarHBondContact O-N 2.65Å

Retrieved 120 of 120 residues in 493.7 ms (Link to these results)

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