X5J5C4_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5C4, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 aa.

						>X5J5C4_MOUSE|X5J5C4
GGLVQPGGSLKLSCAASGFTFSSYGMSWVRQTPDKRLELVATINSNGGSTYYPDSVKGRFTISRDNAKNTLYLQMSSLKSEDTAMYYCARRRGIYYYEMDYWGQGTSVTVSS
					

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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	G	75.9	Confident	94.3	Very high	61 Å²	61	65.7 Å²	65.7	63%	0.629	43%	0.426	S	S	*	.				0	-170.9	0	0	0	0	0	0	109.5	T106 S107	G1-T106 WeakPolarHBondContact CA-OG1 3.46Å; G1-T106 PolarHBondContact N-OG1 2.85Å; G1-S107 CarbonylContact C-O 3.59Å; G1-S107 WeakPolarHBondContact CA-O 3.12Å
2	G	92	Very high	94.6	Very high	29 Å²	29	60.7 Å²	60.7	30%	0.299	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	173	162.4	178.2	0	0	0	0	0	113.5	S107 T109	G2-S107 PolarHBondContact N-O 3.49Å; G2-S107 VanDerWaalsContact N-O 3.15Å; G2-T109 PolarHBondContact O-N 3.04Å
3	L	94.3	Very high	94.9	Very high	121 Å²	121	62.2 Å²	62.2	63%	0.634	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	130.9	166.6	177.3	64.9	0	0	0	108.4	T109 S111	L3-T109 WeakPolarHBondContact CA-O 3.33Å; L3-T109 HydrophobicContact CD1-CG2 3.71Å; L3-S111 WeakPolarHBondContact CD1-OG 3.19Å
4	V	95.8	Very high	95.1	Very high	25 Å²	25	59.1 Å²	59.1	15%	0.152	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	145.6	-179.7	-87.5	0	0	0	0	109.6	L78 V108 T109 V110 S111	V4-L78 HydrophobicContact CG2-CD1 3.65Å; V4-V108 HydrophobicContact CG2-CG1 4.48Å; V4-T109 PolarHBondContact N-O 3.02Å; V4-V110 HydrophobicContact CG2-CG2 4.18Å; V4-V110 VanDerWaalsContact O-CA 3.24Å; V4-V110 WeakPolarHBondContact O-CA 3.47Å; V4-S111 PolarHBondContact O-N 3.49Å
5	Q	96.1	Very high	95.3	Very high	125 Å²	125	60.5 Å²	60.5	58%	0.584	41%	0.405	S	S	*	.			trans	-75.4	153.8	174.7	-70.6	-172.3	-29.4	0	0	111.2	G7 G8 S112	Q5-G7 PolarHBondContact O-N 3.3Å; Q5-G8 WeakPolarHBondContact O-CA 3.39Å; Q5-G8 PolarHBondContact O-N 3.44Å; Q5-S112 PolarHBondContact NE2-OXT 2.94Å; Q5-S112 VanDerWaalsContact NE2-OXT 3.17Å
6	P	97.1	Very high	95.3	Very high	67 Å²	67	57.8 Å²	57.8	44%	0.435	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	139.6	171.6	-25.9	34	0	0	0	112.2	G8 L78 V110	P6-G8 PolarHBondContact O-N 3.5Å; P6-L78 CarbonylContact C-O 3.53Å; P6-L78 WeakPolarHBondContact CA-O 3.44Å; P6-V110 HydrophobicContact CB-CG1 4.4Å; P6-V110 HydrophobicContact CG-CG1 4.11Å
7	G	96.5	Very high	95.2	Very high	54 Å²	54	59.1 Å²	59.1	56%	0.557	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-13.9	-172.1	0	0	0	0	0	114.4	Q5 L78	Q5-G7 PolarHBondContact O-N 3.3Å; G7-L78 PolarHBondContact N-O 2.99Å
8	G	96.9	Very high	95.1	Very high	25 Å²	25	60.6 Å²	60.6	26%	0.258	43%	0.425	S	S	.	.			trans	-66.9	176.5	177.5	0	0	0	0	0	114.1	Q5 P6 S77 L78	Q5-G8 WeakPolarHBondContact O-CA 3.39Å; Q5-G8 PolarHBondContact O-N 3.44Å; P6-G8 PolarHBondContact O-N 3.5Å; G8-S77 PolarHBondContact O-N 3.3Å; G8-L78 PolarHBondContact O-N 2.02Å
9	S	97.4	Very high	94.9	Very high	67 Å²	67	59.1 Å²	59.1	47%	0.469	41%	0.41	S	S	.	.			trans	-131.1	147.8	178.5	-60.4	0	0	0	0	111.4	M75	S9-M75 CarbonylContact C-O 3.6Å; S9-M75 WeakPolarHBondContact CA-O 3.15Å; S9-M75 WeakPolarHBondContact CB-O 3.14Å
10	L	97.3	Very high	94.9	Very high	32 Å²	32	60.4 Å²	60.4	17%	0.168	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	150.3	177.5	-177	65.9	0	0	0	109.6	L12 M75 L78 V108	L10-L12 HydrophobicContact CD2-CD2 3.71Å; L10-L12 HydrophobicContact CG-CD2 4.16Å; L10-M75 PolarHBondContact N-O 2.84Å; L10-M75 WeakPolarHBondContact O-CB 3.45Å; L10-M75 PolarHBondContact O-N 3Å; L10-L78 HydrophobicContact CB-CD1 4.01Å; L10-V108 HydrophobicContact CD2-CG1 3.98Å; L10-V108 HydrophobicContact CD2-CG2 3.78Å
11	K	98.1	Very high	95	Very high	117 Å²	117	57.5 Å²	57.5	51%	0.509	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.3	170.3	-170.6	174.5	179.7	177.5	0	110.1	L73	K11-L73 CarbonylContact C-O 3.52Å; K11-L73 WeakPolarHBondContact CA-O 3.41Å
12	L	98.4	Very high	95.9	Very high	5 Å²	5	57.3 Å²	57.3	3%	0.026	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	151	170.9	-55.9	-177	0	0	0	110.4	L10 W28 Y72 L73 M75 Y86 T106 V108	L10-L12 HydrophobicContact CD2-CD2 3.71Å; L10-L12 HydrophobicContact CG-CD2 4.16Å; L12-W28 HydrophobicContact CB-CH2 3.69Å; L12-W28 HydrophobicContact CB-CZ2 3.9Å; L12-W28 HydrophobicContact CB-CZ3 4.24Å; L12-W28 HydrophobicContact CD1-CE3 4.39Å; L12-W28 HydrophobicContact CD1-CH2 4.31Å; L12-W28 HydrophobicContact CD1-CZ3 4.01Å; L12-Y72 VanDerWaalsContact O-CA 3.25Å; L12-Y72 WeakPolarHBondContact O-CA 3.46Å; L12-L73 HydrophobicContact CB-CB 4.28Å; L12-L73 HydrophobicContact CD1-CD2 4.47Å; L12-L73 PolarHBondContact N-O 3.3Å; L12-L73 PolarHBondContact O-N 3.15Å; L12-M75 HydrophobicContact CD1-SD 3.74Å; L12-M75 HydrophobicContact CG-SD 3.87Å; L12-Y86 HydrophobicContact CD1-CD1 3.98Å; L12-Y86 HydrophobicContact CD1-CD2 4.47Å; L12-Y86 HydrophobicContact CD1-CG 3.79Å; L12-T106 HydrophobicContact CD1-CG2 4.12Å; L12-T106 HydrophobicContact CD2-CG2 4Å; L12-V108 HydrophobicContact CD1-CG2 4.1Å; L12-V108 HydrophobicContact CD2-CG2 3.98Å
13	S	98.1	Very high	96	Very high	81 Å²	81	59.4 Å²	59.4	57%	0.566	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134	148	173.7	58.7	0	0	0	0	110.2	L71	S13-L71 CarbonylContact C-O 3.53Å; S13-L71 VanDerWaalsContact CA-O 3.29Å; S13-L71 WeakPolarHBondContact CA-O 3.3Å
14	C	97.9	Very high	96	Very high	19 Å²	19	56.9 Å²	56.9	13%	0.128	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	108.6	174.6	166.1	0	0	0	0	108.9	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.89Å; C14-W28 HydrophobicContact CB-CZ2 3.9Å; C14-T70 WeakPolarHBondContact O-CA 3.15Å; C14-L71 HydrophobicContact CB-CB 4.36Å; C14-L71 PolarHBondContact N-O 2.89Å; C14-L71 PolarHBondContact O-N 2.79Å; C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.37Å; C14-C88 WeakPolarHBondContact SG-CB 3.28Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.03Å
15	A	97.4	Very high	96	Very high	80 Å²	80	55.9 Å²	55.9	66%	0.661	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	124.9	172.6	0	0	0	0	0	109.2
16	A	95.3	Very high	96.1	Very high	16 Å²	16	50 Å²	50	13%	0.132	35%	0.345	C	S	.	.			trans	-92.2	141.7	178	0	0	0	0	0	111	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 4.09Å; A16-F19 HydrophobicContact CB-CE2 4.31Å; A16-F19 HydrophobicContact CB-CZ 3.67Å; A16-F21 HydrophobicContact CB-CB 4.38Å; A16-F21 HydrophobicContact CB-CD2 3.42Å; A16-F21 VanDerWaalsContact CB-CD2 3.42Å; A16-F21 HydrophobicContact CB-CE2 4.04Å; A16-F21 HydrophobicContact CB-CG 4.25Å; A16-N69 WeakPolarHBondContact CB-O 3.47Å; A16-N69 PolarHBondContact N-O 2.82Å
17	S	94.3	Very high	96.1	Very high	80 Å²	80	46.9 Å²	46.9	56%	0.559	32%	0.324	S	S	*	.			trans	-141.8	160.4	174.2	60.4	0	0	0	0	109.6	F19	S17-F19 WeakPolarHBondContact O-CD1 3.31Å; S17-F19 PolarHBondContact O-N 2.47Å
18	G	92.8	Very high	96.2	Very high	86 Å²	86	44.5 Å²	44.5	89%	0.887	30%	0.298	S	S	*	.	S	Bend	trans	82.9	2.5	177.7	0	0	0	0	0	115.9
19	F	92.3	Very high	96.2	Very high	32 Å²	32	43.6 Å²	43.6	14%	0.14	29%	0.288	C	S	.	.	S	Bend	trans	-157.8	163.1	173.4	61.2	-86	0	0	0	111.9	A16 S17 F21 Y24 M26 R90 Y101	A16-F19 HydrophobicContact CB-CE1 4.09Å; A16-F19 HydrophobicContact CB-CE2 4.31Å; A16-F19 HydrophobicContact CB-CZ 3.67Å; S17-F19 WeakPolarHBondContact O-CD1 3.31Å; S17-F19 PolarHBondContact O-N 2.47Å; F19-F21 HydrophobicContact CE2-CB 4.41Å; F19-F21 HydrophobicContact CE2-CD2 4.27Å; F19-F21 PolarHBondContact O-N 3.05Å; F19-Y24 HydrophobicContact CB-CE2 4.32Å; F19-Y24 AromaticContact CD2-CD2 3.64Å; F19-Y24 HydrophobicContact CD2-CD2 3.64Å; F19-Y24 HydrophobicContact CD2-CE2 4.05Å; F19-Y24 HydrophobicContact CE2-CD2 4.2Å; F19-M26 HydrophobicContact CE2-SD 4.12Å; F19-M26 HydrophobicContact CZ-CE 4.29Å; F19-M26 HydrophobicContact CZ-SD 4.1Å; F19-R90 HydrophobicContact CE2-CG 4.15Å; F19-R90 HydrophobicContact CZ-CB 4.3Å; F19-R90 HydrophobicContact CZ-CG 4.33Å; F19-Y101 AromaticContact CE1-CD1 3.79Å; F19-Y101 HydrophobicContact CE1-CD1 3.79Å; F19-Y101 AromaticContact CE1-CE1 3.91Å; F19-Y101 HydrophobicContact CE1-CE1 3.91Å; F19-Y101 HydrophobicContact CE1-CG 4.21Å
20	T	94.9	Very high	96.2	Very high	86 Å²	86	41 Å²	41	53%	0.528	27%	0.268	S	S	.	.			trans	-72.2	93.4	173.9	-50.8	0	0	0	0	110.5	S22 S23 Y24	T20-S22 VanDerWaalsContact C-N 3.26Å; T20-S22 PolarHBondContact O-N 2.65Å; T20-S23 VanDerWaalsContact CG2-OG 3.29Å; T20-S23 WeakPolarHBondContact CG2-OG 3.35Å; T20-S23 WeakPolarHBondContact O-CB 3.34Å; T20-S23 PolarHBondContact O-N 2.99Å; T20-Y24 VanDerWaalsContact O-CD2 3.27Å; T20-Y24 WeakPolarHBondContact O-CD2 2.99Å
21	F	95.6	Very high	96.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-52.7	-39.2	-174.8	178.6	-102.6	0	0	0	114	A16 F19 S23 Y24 M26 R64 N66 N69 L71	A16-F21 HydrophobicContact CB-CB 4.38Å; A16-F21 HydrophobicContact CB-CD2 3.42Å; A16-F21 VanDerWaalsContact CB-CD2 3.42Å; A16-F21 HydrophobicContact CB-CE2 4.04Å; A16-F21 HydrophobicContact CB-CG 4.25Å; F19-F21 HydrophobicContact CE2-CB 4.41Å; F19-F21 HydrophobicContact CE2-CD2 4.27Å; F19-F21 PolarHBondContact O-N 3.05Å; F21-S23 PolarHBondContact O-N 2.83Å; F21-Y24 PolarHBondContact O-N 3.01Å; F21-M26 HydrophobicContact CD2-CE 4.43Å; F21-M26 HydrophobicContact CD2-CG 4.08Å; F21-M26 HydrophobicContact CD2-SD 4.08Å; F21-M26 HydrophobicContact CE2-CE 4.03Å; F21-M26 HydrophobicContact CE2-CG 3.5Å; F21-M26 VanDerWaalsContact CE2-CG 3.5Å; F21-M26 HydrophobicContact CE2-SD 3.94Å; F21-M26 HydrophobicContact CZ-CG 4.02Å; F21-R64 HydrophobicContact CE1-CB 4.15Å; F21-R64 HydrophobicContact CZ-CB 4.15Å; F21-R64 PolarHBondContact O-NH2 3.19Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.28Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.17Å; F21-N69 HydrophobicContact CB-CB 3.89Å; F21-N69 WeakPolarHBondContact CB-OD1 3.42Å; F21-N69 HydrophobicContact CD1-CB 4.42Å; F21-N69 HydrophobicContact CG-CB 4.15Å; F21-L71 HydrophobicContact CE2-CB 4.38Å; F21-L71 HydrophobicContact CZ-CB 4.24Å
22	S	95.4	Very high	96.1	Very high	56 Å²	56	37.6 Å²	37.6	39%	0.392	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-67.8	-13.9	178.7	56.2	0	0	0	0	114.4	T20 S45	T20-S22 VanDerWaalsContact C-N 3.26Å; T20-S22 PolarHBondContact O-N 2.65Å; S22-S45 WeakPolarHBondContact O-CB 3.4Å
23	S	94.3	Very high	95.8	Very high	74 Å²	74	42.5 Å²	42.5	52%	0.517	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-85.2	-12	177.1	-56.5	0	0	0	0	113.4	T20 F21	T20-S23 VanDerWaalsContact CG2-OG 3.29Å; T20-S23 WeakPolarHBondContact CG2-OG 3.35Å; T20-S23 WeakPolarHBondContact O-CB 3.34Å; T20-S23 PolarHBondContact O-N 2.99Å; F21-S23 PolarHBondContact O-N 2.83Å
24	Y	94.8	Very high	95.6	Very high	68 Å²	68	43.5 Å²	43.5	27%	0.267	29%	0.285	S	S	.	.	S	Bend	trans	-124	149.4	-171.5	-60.9	-84.2	0	0	0	113.2	F19 T20 F21 S45 R64 R90	F19-Y24 HydrophobicContact CB-CE2 4.32Å; F19-Y24 AromaticContact CD2-CD2 3.64Å; F19-Y24 HydrophobicContact CD2-CD2 3.64Å; F19-Y24 HydrophobicContact CD2-CE2 4.05Å; F19-Y24 HydrophobicContact CE2-CD2 4.2Å; T20-Y24 VanDerWaalsContact O-CD2 3.27Å; T20-Y24 WeakPolarHBondContact O-CD2 2.99Å; F21-Y24 PolarHBondContact O-N 3.01Å; Y24-S45 WeakPolarHBondContact O-CA 3.32Å; Y24-R64 PolarHBondContact O-NH1 3.06Å; Y24-R90 HydrophobicContact CD1-CG 4.05Å; Y24-R90 HydrophobicContact CD2-CG 4.49Å; Y24-R90 HydrophobicContact CG-CG 3.83Å
25	G	95.4	Very high	95.2	Very high	3 Å²	3	50.5 Å²	50.5	3%	0.031	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	152.4	162.3	0	0	0	0	0	110.4	I43 R91	G25-I43 CarbonylContact C-O 3.57Å; G25-I43 VanDerWaalsContact CA-O 3.25Å; G25-I43 WeakPolarHBondContact CA-O 3.5Å; G25-R91 PolarHBondContact O-N 2.96Å
26	M	97.2	Very high	95	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.015	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147.6	-178.5	-63.5	-63.2	-60.2	0	0	109.8	F19 F21 T42 I43 L71 A89 R90	F19-M26 HydrophobicContact CE2-SD 4.12Å; F19-M26 HydrophobicContact CZ-CE 4.29Å; F19-M26 HydrophobicContact CZ-SD 4.1Å; F21-M26 HydrophobicContact CD2-CE 4.43Å; F21-M26 HydrophobicContact CD2-CG 4.08Å; F21-M26 HydrophobicContact CD2-SD 4.08Å; F21-M26 HydrophobicContact CE2-CE 4.03Å; F21-M26 HydrophobicContact CE2-CG 3.5Å; F21-M26 VanDerWaalsContact CE2-CG 3.5Å; F21-M26 HydrophobicContact CE2-SD 3.94Å; F21-M26 HydrophobicContact CZ-CG 4.02Å; M26-T42 WeakPolarHBondContact O-CA 3.41Å; M26-T42 PolarHBondContact O-OG1 3.42Å; M26-I43 HydrophobicContact CB-CG2 4.23Å; M26-I43 PolarHBondContact N-O 2.84Å; M26-I43 PolarHBondContact O-N 2.98Å; M26-L71 HydrophobicContact CB-CD1 3.71Å; M26-L71 HydrophobicContact CB-CD2 3.86Å; M26-L71 HydrophobicContact CB-CG 4.31Å; M26-A89 CarbonylContact C-O 3.48Å; M26-A89 WeakPolarHBondContact CA-O 3.41Å; M26-R90 HydrophobicContact SD-CB 4.09Å; M26-R90 HydrophobicContact SD-CG 4.24Å
27	S	97.6	Very high	95	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	152.5	-177.9	-62	0	0	0	0	111.2	A41 T42 C88 A89 M99	S27-A41 CarbonylContact C-O 3.41Å; S27-A41 VanDerWaalsContact CA-O 3.25Å; S27-A41 WeakPolarHBondContact CA-O 3.42Å; S27-T42 WeakPolarHBondContact OG-CB 3.34Å; S27-T42 PolarHBondContact OG-OG1 3.46Å; S27-C88 CarbonylContact O-C 3.57Å; S27-C88 VanDerWaalsContact O-CA 3.3Å; S27-C88 WeakPolarHBondContact O-CA 3.48Å; S27-A89 PolarHBondContact N-O 2.84Å; S27-A89 PolarHBondContact O-N 3.48Å; S27-M99 VanDerWaalsContact CB-CE 3.47Å
28	W	98.1	Very high	95	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.015	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	133.7	158.4	-76.2	97.2	0	0	0	108.7	L12 C14 V40 A41 L71 Y72 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.69Å; L12-W28 HydrophobicContact CB-CZ2 3.9Å; L12-W28 HydrophobicContact CB-CZ3 4.24Å; L12-W28 HydrophobicContact CD1-CE3 4.39Å; L12-W28 HydrophobicContact CD1-CH2 4.31Å; L12-W28 HydrophobicContact CD1-CZ3 4.01Å; C14-W28 HydrophobicContact CB-CH2 3.89Å; C14-W28 HydrophobicContact CB-CZ2 3.9Å; W28-V40 HydrophobicContact CB-CB 4.07Å; W28-V40 HydrophobicContact CB-CG1 4.48Å; W28-V40 WeakPolarHBondContact O-CB 3.35Å; W28-V40 PolarHBondContact O-N 2.97Å; W28-A41 PolarHBondContact N-O 3.03Å; W28-A41 PolarHBondContact O-N 3.42Å; W28-L71 HydrophobicContact CD2-CD2 4.43Å; W28-L71 HydrophobicContact CG-CD2 4.28Å; W28-L71 VanDerWaalsContact NE1-CD2 3.29Å; W28-Y72 PolarHBondContact NE1-O 2.98Å; W28-L73 HydrophobicContact CB-CD2 4.18Å; W28-L73 HydrophobicContact CD2-CB 4.13Å; W28-L73 HydrophobicContact CD2-CD2 4.3Å; W28-L73 HydrophobicContact CG-CB 4.08Å; W28-L73 HydrophobicContact CG-CD1 4.41Å; W28-L73 HydrophobicContact CG-CD2 4.02Å; W28-L73 HydrophobicContact CG-CG 4.41Å; W28-L73 HydrophobicContact CZ2-CB 4.41Å; W28-Y87 CarbonylContact C-O 3.58Å; W28-Y87 WeakPolarHBondContact CA-O 3.29Å; W28-C88 HydrophobicContact CD2-CB 4.48Å; W28-C88 HydrophobicContact CE3-CB 4.34Å; W28-C88 HydrophobicContact CH2-CB 4.29Å; W28-C88 HydrophobicContact CZ2-CB 4.42Å; W28-C88 HydrophobicContact CZ3-CB 4.25Å
29	V	97.8	Very high	95.2	Very high	6 Å²	6	52.6 Å²	52.6	4%	0.036	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.9	175.5	179.5	0	0	0	0	107.1	L37 E38 L39 Y86 Y87 M99 W102	V29-L37 HydrophobicContact CG1-CB 4.33Å; V29-L37 HydrophobicContact CG1-CD2 4.04Å; V29-E38 CarbonylContact C-O 3.44Å; V29-E38 VanDerWaalsContact CA-O 3.32Å; V29-E38 WeakPolarHBondContact CA-O 3.26Å; V29-E38 WeakPolarHBondContact CG1-O 3Å; V29-L39 HydrophobicContact CG2-CD1 4.37Å; V29-Y86 CarbonylContact O-C 3.48Å; V29-Y86 WeakPolarHBondContact O-CA 3.02Å; V29-Y87 PolarHBondContact N-O 2.92Å; V29-Y87 PolarHBondContact O-N 3.47Å; V29-M99 HydrophobicContact CG2-CE 3.63Å; V29-M99 HydrophobicContact CG2-SD 3.65Å; V29-W102 HydrophobicContact CB-CH2 3.98Å; V29-W102 HydrophobicContact CB-CZ3 3.71Å; V29-W102 HydrophobicContact CG1-CH2 3.85Å; V29-W102 HydrophobicContact CG1-CZ3 3.81Å; V29-W102 HydrophobicContact CG2-CH2 3.8Å; V29-W102 HydrophobicContact CG2-CZ3 3.94Å
30	R	97.6	Very high	95.4	Very high	13 Å²	13	51.1 Å²	51.1	5%	0.049	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	145.2	171.6	71.2	-179.6	179.8	-174.4	2.8	111.1	L37 E38 V40 D82 A84 M85 Y86	R30-L37 CarbonylContact O-C 3.5Å; R30-L37 WeakPolarHBondContact O-CA 3.42Å; R30-E38 HydrophobicContact CG-CB 4.01Å; R30-E38 IonicContact CZ-OE2 2.8Å; R30-E38 VanDerWaalsContact CZ-OE2 3.28Å; R30-E38 PolarHBondContact N-O 3.2Å; R30-E38 IonicContact NE-OE2 2.9Å; R30-E38 PolarHBondContact NE-OE2 2.81Å; R30-E38 IonicContact NH2-OE2 2.86Å; R30-E38 PolarHBondContact NH2-OE2 2.76Å; R30-E38 PolarHBondContact O-N 3.13Å; R30-V40 HydrophobicContact CB-CG2 3.76Å; R30-V40 HydrophobicContact CG-CG2 3.63Å; R30-D82 IonicContact NH1-OD1 3.88Å; R30-D82 PolarHBondContact NH1-OD1 2.78Å; R30-A84 HydrophobicContact CB-CB 3.84Å; R30-A84 HydrophobicContact CG-CB 4.23Å; R30-M85 CarbonylContact C-O 3.59Å; R30-M85 WeakPolarHBondContact CA-O 3.39Å; R30-Y86 HydrophobicContact CB-CD1 3.99Å; R30-Y86 HydrophobicContact CB-CD2 4.38Å; R30-Y86 HydrophobicContact CB-CE1 3.94Å; R30-Y86 HydrophobicContact CB-CE2 4.3Å; R30-Y86 HydrophobicContact CB-CG 4.22Å
31	Q	97.7	Very high	95.6	Very high	63 Å²	63	47 Å²	47	29%	0.294	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	111.5	166.8	-170.6	175.7	44.6	0	0	108.4	R36 L37 A84 M85 Y87	Q31-R36 VanDerWaalsContact CA-O 3.31Å; Q31-R36 WeakPolarHBondContact CA-O 3.33Å; Q31-L37 HydrophobicContact CB-CD2 3.76Å; Q31-L37 HydrophobicContact CG-CD2 4.11Å; Q31-A84 WeakPolarHBondContact O-CA 3.5Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.48Å; Q31-M85 HydrophobicContact CB-CB 4.34Å; Q31-M85 PolarHBondContact N-O 3.1Å; Q31-M85 PolarHBondContact O-N 3.49Å; Q31-Y87 HydrophobicContact CB-CE2 3.78Å
32	T	94.9	Very high	95.6	Very high	14 Å²	14	47.7 Å²	47.7	9%	0.086	25%	0.245	C	C	.	.			trans	-70.6	163.9	176.9	44.3	0	0	0	0	111	D34 K35 R36	T32-D34 WeakPolarHBondContact CB-OD1 3.48Å; T32-D34 PolarHBondContact O-N 3.1Å; T32-D34 VanDerWaalsContact O-N 3.15Å; T32-D34 PolarHBondContact OG1-OD1 3.17Å; T32-K35 WeakPolarHBondContact O-CA 3.19Å; T32-K35 PolarHBondContact O-N 2.8Å; T32-R36 PolarHBondContact N-O 3.15Å; T32-R36 WeakPolarHBondContact OG1-CB 3.47Å; T32-R36 PolarHBondContact OG1-N 2.9Å; T32-R36 PolarHBondContact OG1-O 3.24Å; T32-R36 VanDerWaalsContact OG1-O 3.05Å
33	P	92.4	Very high	95.7	Very high	109 Å²	109	45.3 Å²	45.3	71%	0.708	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-27.2	-178.5	-27.5	36.4	0	0	0	114.8	K35 T83	P33-K35 PolarHBondContact O-N 2.86Å; P33-T83 WeakPolarHBondContact CD-O 3.42Å
34	D	93.4	Very high	95.7	Very high	102 Å²	102	43.7 Å²	43.7	55%	0.545	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	10.3	172.6	68.7	-21	0	0	0	113.6	T32 R36	T32-D34 WeakPolarHBondContact CB-OD1 3.48Å; T32-D34 PolarHBondContact O-N 3.1Å; T32-D34 VanDerWaalsContact O-N 3.15Å; T32-D34 PolarHBondContact OG1-OD1 3.17Å; D34-R36 PolarHBondContact O-N 2.95Å; D34-R36 PolarHBondContact OD1-N 2.89Å
35	K	89.5	Confident	95.7	Very high	166 Å²	166	42.6 Å²	42.6	72%	0.722	22%	0.216	S	C	*	.			trans	67.6	11.9	178.4	-53.9	-179.4	178.7	178.7	0	115.3	T32 P33	T32-K35 WeakPolarHBondContact O-CA 3.19Å; T32-K35 PolarHBondContact O-N 2.8Å; P33-K35 PolarHBondContact O-N 2.86Å
36	R	93.3	Very high	95.6	Very high	143 Å²	143	48 Å²	48	54%	0.54	24%	0.243	S	C	.	.			trans	-72.9	133.5	172.6	-176.9	171.5	69.8	-157.6	1.2	110.6	Q31 T32 D34 E38	Q31-R36 VanDerWaalsContact CA-O 3.31Å; Q31-R36 WeakPolarHBondContact CA-O 3.33Å; T32-R36 PolarHBondContact N-O 3.15Å; T32-R36 WeakPolarHBondContact OG1-CB 3.47Å; T32-R36 PolarHBondContact OG1-N 2.9Å; T32-R36 PolarHBondContact OG1-O 3.24Å; T32-R36 VanDerWaalsContact OG1-O 3.05Å; D34-R36 PolarHBondContact O-N 2.95Å; D34-R36 PolarHBondContact OD1-N 2.89Å; R36-E38 HydrophobicContact CG-CG 4.22Å; R36-E38 IonicContact CZ-OE1 2.65Å; R36-E38 IonicContact NE-OE1 2.82Å; R36-E38 PolarHBondContact NE-OE1 2.9Å; R36-E38 IonicContact NH2-OE1 3.28Å; R36-E38 PolarHBondContact NH2-OE1 3.05Å
37	L	94.7	Very high	95.5	Very high	100 Å²	100	49.2 Å²	49.2	52%	0.524	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128.3	171.5	-71.6	171.5	0	0	0	110	V29 R30 Q31	V29-L37 HydrophobicContact CG1-CB 4.33Å; V29-L37 HydrophobicContact CG1-CD2 4.04Å; R30-L37 CarbonylContact O-C 3.5Å; R30-L37 WeakPolarHBondContact O-CA 3.42Å; Q31-L37 HydrophobicContact CB-CD2 3.76Å; Q31-L37 HydrophobicContact CG-CD2 4.11Å
38	E	96	Very high	95.3	Very high	33 Å²	33	52.5 Å²	52.5	15%	0.154	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.7	-179.3	-63.6	-179.2	173.9	0	0	110.3	V29 R30 R36 V40	V29-E38 CarbonylContact C-O 3.44Å; V29-E38 VanDerWaalsContact CA-O 3.32Å; V29-E38 WeakPolarHBondContact CA-O 3.26Å; V29-E38 WeakPolarHBondContact CG1-O 3Å; R30-E38 HydrophobicContact CG-CB 4.01Å; R30-E38 IonicContact CZ-OE2 2.8Å; R30-E38 VanDerWaalsContact CZ-OE2 3.28Å; R30-E38 PolarHBondContact N-O 3.2Å; R30-E38 IonicContact NE-OE2 2.9Å; R30-E38 PolarHBondContact NE-OE2 2.81Å; R30-E38 IonicContact NH2-OE2 2.86Å; R30-E38 PolarHBondContact NH2-OE2 2.76Å; R30-E38 PolarHBondContact O-N 3.13Å; R36-E38 HydrophobicContact CG-CG 4.22Å; R36-E38 IonicContact CZ-OE1 2.65Å; R36-E38 IonicContact NE-OE1 2.82Å; R36-E38 PolarHBondContact NE-OE1 2.9Å; R36-E38 IonicContact NH2-OE1 3.28Å; R36-E38 PolarHBondContact NH2-OE1 3.05Å; E38-V40 PolarHBondContact O-N 3.11Å
39	L	96	Very high	95.2	Very high	30 Å²	30	55.6 Å²	55.6	16%	0.157	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	136.8	166.7	-176.3	67.9	0	0	0	108.8	V29 Y51 P53 Y96 M99	V29-L39 HydrophobicContact CG2-CD1 4.37Å; L39-Y51 HydrophobicContact CD2-CD1 4Å; L39-Y51 HydrophobicContact CD2-CE1 3.93Å; L39-P53 HydrophobicContact CB-CG 4.36Å; L39-P53 HydrophobicContact CD2-CG 4.46Å; L39-P53 HydrophobicContact CG-CG 4.4Å; L39-P53 WeakPolarHBondContact O-CG 3.49Å; L39-Y96 HydrophobicContact CD2-CD2 3.84Å; L39-Y96 HydrophobicContact CD2-CE2 4.39Å; L39-Y96 HydrophobicContact CD2-CG 3.96Å; L39-M99 HydrophobicContact CD1-CE 3.79Å
40	V	97.7	Very high	95.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-48.9	177.3	177.5	0	0	0	0	110.1	W28 R30 E38 P53 V56 F60 L73 Y86	W28-V40 HydrophobicContact CB-CB 4.07Å; W28-V40 HydrophobicContact CB-CG1 4.48Å; W28-V40 WeakPolarHBondContact O-CB 3.35Å; W28-V40 PolarHBondContact O-N 2.97Å; R30-V40 HydrophobicContact CB-CG2 3.76Å; R30-V40 HydrophobicContact CG-CG2 3.63Å; E38-V40 PolarHBondContact O-N 3.11Å; V40-P53 WeakPolarHBondContact O-CD 3.4Å; V40-V56 HydrophobicContact CG1-CG1 4.48Å; V40-V56 HydrophobicContact CG1-CG2 4.33Å; V40-V56 WeakPolarHBondContact O-CG2 3.39Å; V40-F60 HydrophobicContact CG1-CD2 3.61Å; V40-F60 HydrophobicContact CG1-CE2 4.06Å; V40-L73 HydrophobicContact CG1-CD1 4.38Å; V40-L73 HydrophobicContact CG1-CD2 3.84Å; V40-Y86 HydrophobicContact CG1-CE1 4.32Å; V40-Y86 HydrophobicContact CG2-CD1 4.34Å; V40-Y86 HydrophobicContact CG2-CE1 3.99Å
41	A	97.8	Very high	95.1	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	153.8	176.4	0	0	0	0	0	110.1	S27 W28 Y51 Y52 I62 L73	S27-A41 CarbonylContact C-O 3.41Å; S27-A41 VanDerWaalsContact CA-O 3.25Å; S27-A41 WeakPolarHBondContact CA-O 3.42Å; W28-A41 PolarHBondContact N-O 3.03Å; W28-A41 PolarHBondContact O-N 3.42Å; A41-Y51 WeakPolarHBondContact CA-O 3.28Å; A41-Y52 HydrophobicContact CB-CD1 3.64Å; A41-Y52 HydrophobicContact CB-CE1 3.68Å; A41-I62 HydrophobicContact CB-CB 3.73Å; A41-I62 HydrophobicContact CB-CD1 3.93Å; A41-I62 HydrophobicContact CB-CG1 4.38Å; A41-I62 HydrophobicContact CB-CG2 3.9Å; A41-L73 HydrophobicContact CB-CD1 4.22Å
42	T	96.7	Very high	95.1	Very high	15 Å²	15	62.4 Å²	62.4	9%	0.092	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	148.6	170.8	179.3	0	0	0	0	110.8	M26 S27 T50 Y51	M26-T42 WeakPolarHBondContact O-CA 3.41Å; M26-T42 PolarHBondContact O-OG1 3.42Å; S27-T42 WeakPolarHBondContact OG-CB 3.34Å; S27-T42 PolarHBondContact OG-OG1 3.46Å; T42-T50 CarbonylContact O-C 3.58Å; T42-T50 WeakPolarHBondContact O-CA 3.32Å; T42-Y51 HydrophobicContact CG2-CD1 4.18Å; T42-Y51 HydrophobicContact CG2-CG 4.43Å; T42-Y51 PolarHBondContact N-O 3.01Å; T42-Y51 PolarHBondContact O-N 3.08Å
43	I	96.8	Very high	95.2	Very high	6 Å²	6	62.8 Å²	62.8	3%	0.031	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	137.6	177.7	-171	161.6	0	0	0	109.8	G25 M26 S49 T50 I62 R64 L71	G25-I43 CarbonylContact C-O 3.57Å; G25-I43 VanDerWaalsContact CA-O 3.25Å; G25-I43 WeakPolarHBondContact CA-O 3.5Å; M26-I43 HydrophobicContact CB-CG2 4.23Å; M26-I43 PolarHBondContact N-O 2.84Å; M26-I43 PolarHBondContact O-N 2.98Å; I43-S49 WeakPolarHBondContact CA-O 3.24Å; I43-T50 HydrophobicContact CB-CG2 4.09Å; I43-T50 HydrophobicContact CD1-CG2 3.84Å; I43-T50 HydrophobicContact CG1-CG2 3.79Å; I43-I62 HydrophobicContact CB-CD1 4.04Å; I43-I62 HydrophobicContact CB-CG1 4.26Å; I43-I62 HydrophobicContact CB-CG2 4.02Å; I43-I62 HydrophobicContact CG2-CD1 3.72Å; I43-I62 HydrophobicContact CG2-CG1 4.03Å; I43-R64 HydrophobicContact CD1-CB 4.37Å; I43-R64 HydrophobicContact CD1-CG 3.82Å; I43-R64 HydrophobicContact CG1-CG 4.47Å; I43-L71 HydrophobicContact CG2-CD1 3.59Å
44	N	94.9	Very high	95.4	Very high	40 Å²	40	64.2 Å²	64.2	21%	0.214	35%	0.348	C	S	.	.			trans	-73.8	171.7	178.2	73	-14.8	0	0	0	112.4	N46 G47 G48 S49 R64	N44-N46 VanDerWaalsContact C-N 3.31Å; N44-N46 PolarHBondContact ND2-OD1 3Å; N44-N46 PolarHBondContact O-N 2.84Å; N44-N46 PolarHBondContact OD1-OD1 3Å; N44-G47 PolarHBondContact O-N 2.75Å; N44-G47 VanDerWaalsContact O-N 3.1Å; N44-G47 VanDerWaalsContact OD1-C 3.26Å; N44-G47 VanDerWaalsContact OD1-CA 3.32Å; N44-G47 WeakPolarHBondContact OD1-CA 3.36Å; N44-G47 PolarHBondContact OD1-N 3.17Å; N44-G48 PolarHBondContact OD1-N 3.34Å; N44-S49 PolarHBondContact N-O 3.5Å; N44-S49 PolarHBondContact ND2-N 2.97Å; N44-S49 PolarHBondContact OD1-N 3.29Å; N44-S49 PolarHBondContact OD1-O 3.41Å; N44-R64 PolarHBondContact O-NH1 2.81Å
45	S	95	Very high	95.4	Very high	45 Å²	45	62.3 Å²	62.3	32%	0.315	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-36.5	-173.2	48.9	0	0	0	0	114.8	S22 Y24 R64 N66	S22-S45 WeakPolarHBondContact O-CB 3.4Å; Y24-S45 WeakPolarHBondContact O-CA 3.32Å; S45-R64 VanDerWaalsContact C-NH1 3.3Å; S45-R64 PolarHBondContact O-NE 2.83Å; S45-R64 PolarHBondContact O-NH1 2.77Å; S45-R64 PolarHBondContact O-NH2 3.15Å; S45-N66 PolarHBondContact O-ND2 2.83Å
46	N	92.1	Very high	95.8	Very high	115 Å²	115	54.4 Å²	54.4	62%	0.615	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-5.5	178.8	67.2	6.6	0	0	0	114	N44 G48	N44-N46 VanDerWaalsContact C-N 3.31Å; N44-N46 PolarHBondContact ND2-OD1 3Å; N44-N46 PolarHBondContact O-N 2.84Å; N44-N46 PolarHBondContact OD1-OD1 3Å; N46-G48 VanDerWaalsContact C-N 3.31Å; N46-G48 PolarHBondContact O-N 2.68Å; N46-G48 PolarHBondContact OD1-N 3.21Å
47	G	94.9	Very high	96	Very high	29 Å²	29	54 Å²	54	30%	0.299	31%	0.311	S	S	.	.	S	Bend	trans	82	-0.3	-178.9	0	0	0	0	0	115.7	N44 S49	N44-G47 PolarHBondContact O-N 2.75Å; N44-G47 VanDerWaalsContact O-N 3.1Å; N44-G47 VanDerWaalsContact OD1-C 3.26Å; N44-G47 VanDerWaalsContact OD1-CA 3.32Å; N44-G47 WeakPolarHBondContact OD1-CA 3.36Å; N44-G47 PolarHBondContact OD1-N 3.17Å; G47-S49 VanDerWaalsContact C-N 3.34Å; G47-S49 PolarHBondContact O-N 2.95Å
48	G	94.6	Very high	96.1	Very high	69 Å²	69	53.3 Å²	53.3	71%	0.711	33%	0.327	S	S	*	.	S	Bend	trans	-77	-13.7	-176.6	0	0	0	0	0	115.3	N44 N46	N44-G48 PolarHBondContact OD1-N 3.34Å; N46-G48 VanDerWaalsContact C-N 3.31Å; N46-G48 PolarHBondContact O-N 2.68Å; N46-G48 PolarHBondContact OD1-N 3.21Å
49	S	95	Very high	96.2	Very high	70 Å²	70	53.4 Å²	53.4	49%	0.49	33%	0.326	S	S	.	.			trans	-135.4	134.3	179.5	-176.1	0	0	0	0	111.2	I43 N44 G47	I43-S49 WeakPolarHBondContact CA-O 3.24Å; N44-S49 PolarHBondContact N-O 3.5Å; N44-S49 PolarHBondContact ND2-N 2.97Å; N44-S49 PolarHBondContact OD1-N 3.29Å; N44-S49 PolarHBondContact OD1-O 3.41Å; G47-S49 VanDerWaalsContact C-N 3.34Å; G47-S49 PolarHBondContact O-N 2.95Å
50	T	97.1	Very high	96.3	Very high	62 Å²	62	52.1 Å²	52.1	38%	0.38	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	151.5	177.7	58.9	0	0	0	0	110.8	T42 I43 Y52 I62	T42-T50 CarbonylContact O-C 3.58Å; T42-T50 WeakPolarHBondContact O-CA 3.32Å; I43-T50 HydrophobicContact CB-CG2 4.09Å; I43-T50 HydrophobicContact CD1-CG2 3.84Å; I43-T50 HydrophobicContact CG1-CG2 3.79Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.31Å; T50-I62 HydrophobicContact CG2-CG2 3.66Å
51	Y	96.4	Very high	96.4	Very high	120 Å²	120	55.8 Å²	55.8	47%	0.471	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	142.1	172.1	169.4	-92.7	0	0	0	110.2	L39 A41 T42 P53	L39-Y51 HydrophobicContact CD2-CD1 4Å; L39-Y51 HydrophobicContact CD2-CE1 3.93Å; A41-Y51 WeakPolarHBondContact CA-O 3.28Å; T42-Y51 HydrophobicContact CG2-CD1 4.18Å; T42-Y51 HydrophobicContact CG2-CG 4.43Å; T42-Y51 PolarHBondContact N-O 3.01Å; T42-Y51 PolarHBondContact O-N 3.08Å; Y51-P53 HydrophobicContact CE1-CG 3.99Å
52	Y	97.7	Very high	96.4	Very high	42 Å²	42	56 Å²	56	17%	0.165	34%	0.343	C	S	.	.			trans	-135.1	129.8	-179.8	-55.8	-87.9	0	0	0	109.1	A41 T50 F60 T61 I62	A41-Y52 HydrophobicContact CB-CD1 3.64Å; A41-Y52 HydrophobicContact CB-CE1 3.68Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.31Å; Y52-F60 VanDerWaalsContact CE1-O 3.24Å; Y52-F60 WeakPolarHBondContact CE1-O 3.18Å; Y52-T61 WeakPolarHBondContact OH-CA 3.18Å; Y52-I62 HydrophobicContact CE1-CB 4.29Å; Y52-I62 HydrophobicContact CE1-CG2 3.94Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.47Å; Y52-I62 PolarHBondContact OH-N 3.05Å
53	P	96.5	Very high	96.5	Very high	22 Å²	22	57.6 Å²	57.6	14%	0.143	36%	0.355	C	S	.	.			trans	-66	155.6	167	-23	37.8	0	0	0	111.9	L39 V40 Y51 S55 V56 K57	L39-P53 HydrophobicContact CB-CG 4.36Å; L39-P53 HydrophobicContact CD2-CG 4.46Å; L39-P53 HydrophobicContact CG-CG 4.4Å; L39-P53 WeakPolarHBondContact O-CG 3.49Å; V40-P53 WeakPolarHBondContact O-CD 3.4Å; Y51-P53 HydrophobicContact CE1-CG 3.99Å; P53-S55 PolarHBondContact O-N 2.77Å; P53-S55 VanDerWaalsContact O-N 3.11Å; P53-V56 PolarHBondContact O-N 3.32Å; P53-V56 VanDerWaalsContact O-N 3.13Å; P53-K57 PolarHBondContact O-N 2.92Å
54	D	96.9	Very high	96.6	Very high	140 Å²	140	59 Å²	59	75%	0.749	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-25.8	-175.8	-65.9	-32.4	0	0	0	113.5	V56	D54-V56 PolarHBondContact O-N 3.05Å
55	S	94.9	Very high	96.7	Very high	61 Å²	61	59.1 Å²	59.1	43%	0.427	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.6	177.5	57.1	0	0	0	0	114.1	P53 R59	P53-S55 PolarHBondContact O-N 2.77Å; P53-S55 VanDerWaalsContact O-N 3.11Å; S55-R59 PolarHBondContact O-NH2 2.83Å
56	V	97.5	Very high	96.8	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-5.8	-175.2	-59.6	0	0	0	0	113.6	V40 P53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG1 4.48Å; V40-V56 HydrophobicContact CG1-CG2 4.33Å; V40-V56 WeakPolarHBondContact O-CG2 3.39Å; P53-V56 PolarHBondContact O-N 3.32Å; P53-V56 VanDerWaalsContact O-N 3.13Å; D54-V56 PolarHBondContact O-N 3.05Å; V56-G58 PolarHBondContact O-N 3.36Å; V56-R59 PolarHBondContact O-N 3.32Å; V56-F60 HydrophobicContact CB-CB 4.21Å; V56-F60 HydrophobicContact CB-CD2 3.6Å; V56-F60 HydrophobicContact CB-CE2 4.03Å; V56-F60 HydrophobicContact CB-CG 3.91Å; V56-F60 HydrophobicContact CG1-CD2 3.6Å; V56-F60 HydrophobicContact CG1-CE2 3.52Å; V56-F60 HydrophobicContact CG1-CG 4.33Å; V56-F60 HydrophobicContact CG1-CZ 4.18Å; V56-F60 HydrophobicContact CG2-CD2 4.24Å; V56-F60 PolarHBondContact O-N 2.68Å; V56-F60 VanDerWaalsContact O-N 3.08Å
57	K	96.6	Very high	97	Very high	136 Å²	136	59 Å²	59	59%	0.591	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	133.1	179.8	-167.2	173.6	-175.7	178.9	0	110.8	P53 R59	P53-K57 PolarHBondContact O-N 2.92Å; K57-R59 PolarHBondContact O-N 3.02Å
58	G	97.3	Very high	97.2	Very high	84 Å²	84	63.8 Å²	63.8	87%	0.866	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	-6.9	-177.1	0	0	0	0	0	115.2	V56	V56-G58 PolarHBondContact O-N 3.36Å
59	R	98.1	Very high	97.3	Very high	35 Å²	35	63.6 Å²	63.6	13%	0.132	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-39.7	177.7	-61.6	-168	-57	116.8	0.4	112.6	S55 V56 K57 S76 S77 D82	S55-R59 PolarHBondContact O-NH2 2.83Å; V56-R59 PolarHBondContact O-N 3.32Å; K57-R59 PolarHBondContact O-N 3.02Å; R59-S76 WeakPolarHBondContact CB-O 3.5Å; R59-S76 WeakPolarHBondContact O-CB 3.44Å; R59-S76 PolarHBondContact O-N 2.81Å; R59-S77 PolarHBondContact NH1-O 3.45Å; R59-D82 IonicContact CZ-OD1 3.85Å; R59-D82 IonicContact CZ-OD2 2.68Å; R59-D82 IonicContact NH1-OD1 2.95Å; R59-D82 IonicContact NH1-OD2 3.21Å; R59-D82 PolarHBondContact NH1-OD2 2.81Å; R59-D82 IonicContact NH2-OD1 3.39Å; R59-D82 PolarHBondContact NH2-OD1 2.83Å; R59-D82 IonicContact NH2-OD2 3.64Å; R59-D82 PolarHBondContact NH2-OD2 3.49Å
60	F	98.5	Very high	97.4	Very high	4 Å²	4	61 Å²	61	2%	0.018	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	146.1	-176.8	-63.3	1.9	0	0	0	111.2	V40 Y52 V56 L73 Q74 M75 L78 D82 Y86	V40-F60 HydrophobicContact CG1-CD2 3.61Å; V40-F60 HydrophobicContact CG1-CE2 4.06Å; Y52-F60 VanDerWaalsContact CE1-O 3.24Å; Y52-F60 WeakPolarHBondContact CE1-O 3.18Å; V56-F60 HydrophobicContact CB-CB 4.21Å; V56-F60 HydrophobicContact CB-CD2 3.6Å; V56-F60 HydrophobicContact CB-CE2 4.03Å; V56-F60 HydrophobicContact CB-CG 3.91Å; V56-F60 HydrophobicContact CG1-CD2 3.6Å; V56-F60 HydrophobicContact CG1-CE2 3.52Å; V56-F60 HydrophobicContact CG1-CG 4.33Å; V56-F60 HydrophobicContact CG1-CZ 4.18Å; V56-F60 HydrophobicContact CG2-CD2 4.24Å; V56-F60 PolarHBondContact O-N 2.68Å; V56-F60 VanDerWaalsContact O-N 3.08Å; F60-L73 HydrophobicContact CB-CD1 4.23Å; F60-L73 HydrophobicContact CD2-CD2 4.34Å; F60-Q74 CarbonylContact C-O 3.59Å; F60-Q74 VanDerWaalsContact CA-O 3.25Å; F60-Q74 WeakPolarHBondContact CA-O 3.25Å; F60-M75 HydrophobicContact CD1-CB 3.86Å; F60-M75 HydrophobicContact CD1-CG 4.05Å; F60-M75 HydrophobicContact CD2-CG 4.09Å; F60-M75 HydrophobicContact CE1-CB 3.77Å; F60-M75 HydrophobicContact CE1-CG 4.08Å; F60-M75 HydrophobicContact CE2-CE 4.23Å; F60-M75 HydrophobicContact CE2-CG 4.1Å; F60-M75 HydrophobicContact CG-CB 4.39Å; F60-M75 HydrophobicContact CG-CG 4.09Å; F60-M75 HydrophobicContact CZ-CB 4.21Å; F60-M75 HydrophobicContact CZ-CE 3.95Å; F60-M75 HydrophobicContact CZ-CG 4.11Å; F60-L78 HydrophobicContact CE1-CD2 3.78Å; F60-L78 HydrophobicContact CZ-CD2 3.7Å; F60-D82 HydrophobicContact CZ-CB 4.2Å; F60-Y86 HydrophobicContact CE2-CE1 4.45Å
61	T	98.6	Very high	97.5	Very high	76 Å²	76	58 Å²	58	47%	0.466	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	118.4	179	-55.2	0	0	0	0	109.7	Y52 Q74	Y52-T61 WeakPolarHBondContact OH-CA 3.18Å; T61-Q74 PolarHBondContact N-O 3.16Å; T61-Q74 PolarHBondContact O-N 2.96Å
62	I	98.7	Very high	97.6	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.031	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	138.4	172.1	-166.9	169.9	0	0	0	109.5	A41 I43 T50 Y52 L71 Y72 L73	A41-I62 HydrophobicContact CB-CB 3.73Å; A41-I62 HydrophobicContact CB-CD1 3.93Å; A41-I62 HydrophobicContact CB-CG1 4.38Å; A41-I62 HydrophobicContact CB-CG2 3.9Å; I43-I62 HydrophobicContact CB-CD1 4.04Å; I43-I62 HydrophobicContact CB-CG1 4.26Å; I43-I62 HydrophobicContact CB-CG2 4.02Å; I43-I62 HydrophobicContact CG2-CD1 3.72Å; I43-I62 HydrophobicContact CG2-CG1 4.03Å; T50-I62 HydrophobicContact CG2-CG2 3.66Å; Y52-I62 HydrophobicContact CE1-CB 4.29Å; Y52-I62 HydrophobicContact CE1-CG2 3.94Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.47Å; Y52-I62 PolarHBondContact OH-N 3.05Å; I62-L71 HydrophobicContact CD1-CD1 3.98Å; I62-L71 HydrophobicContact CD1-CD2 4.42Å; I62-L71 HydrophobicContact CD1-CG 4.48Å; I62-L71 HydrophobicContact CG1-CD1 3.96Å; I62-L71 HydrophobicContact CG1-CG 4.48Å; I62-Y72 WeakPolarHBondContact CA-O 3.37Å; I62-L73 HydrophobicContact CB-CD1 4.32Å
63	S	98.6	Very high	97.7	Very high	48 Å²	48	52.4 Å²	52.4	34%	0.336	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	164.2	172.6	61.6	0	0	0	0	110.6	Y72	S63-Y72 PolarHBondContact N-O 2.82Å; S63-Y72 PolarHBondContact O-N 3Å
64	R	98.3	Very high	97.8	Very high	34 Å²	34	54.4 Å²	54.4	13%	0.128	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	150.7	-177.3	65.6	-178.4	-69.2	156.1	4.4	111	F21 Y24 I43 N44 S45 N66 T70 L71	F21-R64 HydrophobicContact CE1-CB 4.15Å; F21-R64 HydrophobicContact CZ-CB 4.15Å; F21-R64 PolarHBondContact O-NH2 3.19Å; Y24-R64 PolarHBondContact O-NH1 3.06Å; I43-R64 HydrophobicContact CD1-CB 4.37Å; I43-R64 HydrophobicContact CD1-CG 3.82Å; I43-R64 HydrophobicContact CG1-CG 4.47Å; N44-R64 PolarHBondContact O-NH1 2.81Å; S45-R64 VanDerWaalsContact C-NH1 3.3Å; S45-R64 PolarHBondContact O-NE 2.83Å; S45-R64 PolarHBondContact O-NH1 2.77Å; S45-R64 PolarHBondContact O-NH2 3.15Å; R64-N66 PolarHBondContact NE-OD1 3.34Å; R64-N66 PolarHBondContact NH2-OD1 3.05Å; R64-T70 CarbonylContact C-O 3.52Å; R64-T70 WeakPolarHBondContact CA-O 3.41Å; R64-L71 HydrophobicContact CB-CD1 4.2Å
65	D	98	Very high	97.8	Very high	43 Å²	43	47.8 Å²	47.8	23%	0.23	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	110.6	170.2	-175.6	-27.1	0	0	0	108.4	A67 K68 N69 T70 Y72	D65-A67 WeakPolarHBondContact OD1-CB 3.26Å; D65-A67 PolarHBondContact OD1-N 2.88Å; D65-K68 HydrophobicContact CB-CB 4.14Å; D65-K68 PolarHBondContact O-N 2.82Å; D65-K68 PolarHBondContact OD1-N 2.83Å; D65-K68 WeakPolarHBondContact OD2-CD 2.91Å; D65-K68 WeakPolarHBondContact OD2-CE 3Å; D65-K68 WeakPolarHBondContact OD2-CG 3.14Å; D65-K68 IonicContact OD2-NZ 3.12Å; D65-N69 PolarHBondContact O-N 2.64Å; D65-T70 PolarHBondContact N-O 2.88Å; D65-T70 PolarHBondContact O-N 3.18Å; D65-Y72 HydrophobicContact CB-CE2 3.96Å
66	N	97.3	Very high	98	Very high	60 Å²	60	46.7 Å²	46.7	32%	0.321	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-28.5	-178.4	-77.4	-11.1	0	0	0	113	F21 S45 R64 K68 N69	F21-N66 WeakPolarHBondContact CD1-OD1 3.28Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.17Å; S45-N66 PolarHBondContact O-ND2 2.83Å; R64-N66 PolarHBondContact NE-OD1 3.34Å; R64-N66 PolarHBondContact NH2-OD1 3.05Å; N66-K68 VanDerWaalsContact C-N 3.3Å; N66-N69 PolarHBondContact O-OD1 2.79Å
67	A	96.6	Very high	98	Very high	97 Å²	97	50 Å²	50	80%	0.802	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-32.1	176.3	0	0	0	0	0	110.9	D65	D65-A67 WeakPolarHBondContact OD1-CB 3.26Å; D65-A67 PolarHBondContact OD1-N 2.88Å
68	K	97.4	Very high	98.1	Very high	131 Å²	131	43.6 Å²	43.6	57%	0.57	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	1.8	178.7	-60.2	-178.3	-166.7	164	0	114.3	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.14Å; D65-K68 PolarHBondContact O-N 2.82Å; D65-K68 PolarHBondContact OD1-N 2.83Å; D65-K68 WeakPolarHBondContact OD2-CD 2.91Å; D65-K68 WeakPolarHBondContact OD2-CE 3Å; D65-K68 WeakPolarHBondContact OD2-CG 3.14Å; D65-K68 IonicContact OD2-NZ 3.12Å; N66-K68 VanDerWaalsContact C-N 3.3Å; K68-T70 PolarHBondContact O-N 3.34Å; K68-T70 VanDerWaalsContact O-N 3.1Å; K68-T70 PolarHBondContact O-OG1 2.83Å
69	N	97.4	Very high	98	Very high	65 Å²	65	44.7 Å²	44.7	35%	0.348	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	38.1	-172.6	-61.1	-39.8	0	0	0	113.2	A16 F21 D65 N66	A16-N69 WeakPolarHBondContact CB-O 3.47Å; A16-N69 PolarHBondContact N-O 2.82Å; F21-N69 HydrophobicContact CB-CB 3.89Å; F21-N69 WeakPolarHBondContact CB-OD1 3.42Å; F21-N69 HydrophobicContact CD1-CB 4.42Å; F21-N69 HydrophobicContact CG-CB 4.15Å; D65-N69 PolarHBondContact O-N 2.64Å; N66-N69 PolarHBondContact O-OD1 2.79Å
70	T	98.3	Very high	97.9	Very high	15 Å²	15	46.1 Å²	46.1	9%	0.092	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.1	-170.2	-58	0	0	0	0	111.6	C14 R64 D65 K68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.15Å; R64-T70 CarbonylContact C-O 3.52Å; R64-T70 WeakPolarHBondContact CA-O 3.41Å; D65-T70 PolarHBondContact N-O 2.88Å; D65-T70 PolarHBondContact O-N 3.18Å; K68-T70 PolarHBondContact O-N 3.34Å; K68-T70 VanDerWaalsContact O-N 3.1Å; K68-T70 PolarHBondContact O-OG1 2.83Å; T70-Y72 HydrophobicContact CG2-CD1 4.12Å; T70-Y72 HydrophobicContact CG2-CD2 4.43Å; T70-Y72 HydrophobicContact CG2-CE1 3.47Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.47Å; T70-Y72 HydrophobicContact CG2-CE2 3.83Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.33Å
71	L	98.6	Very high	97.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	141.9	170.2	-170.6	70.9	0	0	0	110	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.53Å; S13-L71 VanDerWaalsContact CA-O 3.29Å; S13-L71 WeakPolarHBondContact CA-O 3.3Å; C14-L71 HydrophobicContact CB-CB 4.36Å; C14-L71 PolarHBondContact N-O 2.89Å; C14-L71 PolarHBondContact O-N 2.79Å; F21-L71 HydrophobicContact CE2-CB 4.38Å; F21-L71 HydrophobicContact CZ-CB 4.24Å; M26-L71 HydrophobicContact CB-CD1 3.71Å; M26-L71 HydrophobicContact CB-CD2 3.86Å; M26-L71 HydrophobicContact CB-CG 4.31Å; W28-L71 HydrophobicContact CD2-CD2 4.43Å; W28-L71 HydrophobicContact CG-CD2 4.28Å; W28-L71 VanDerWaalsContact NE1-CD2 3.29Å; I43-L71 HydrophobicContact CG2-CD1 3.59Å; I62-L71 HydrophobicContact CD1-CD1 3.98Å; I62-L71 HydrophobicContact CD1-CD2 4.42Å; I62-L71 HydrophobicContact CD1-CG 4.48Å; I62-L71 HydrophobicContact CG1-CD1 3.96Å; I62-L71 HydrophobicContact CG1-CG 4.48Å; R64-L71 HydrophobicContact CB-CD1 4.2Å; L71-C88 HydrophobicContact CD2-CB 4.1Å
72	Y	98.6	Very high	97.7	Very high	44 Å²	44	48.9 Å²	48.9	17%	0.173	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149.9	177.1	-55.8	-78.7	0	0	0	111.5	L12 W28 I62 S63 D65 T70	L12-Y72 VanDerWaalsContact O-CA 3.25Å; L12-Y72 WeakPolarHBondContact O-CA 3.46Å; W28-Y72 PolarHBondContact NE1-O 2.98Å; I62-Y72 WeakPolarHBondContact CA-O 3.37Å; S63-Y72 PolarHBondContact N-O 2.82Å; S63-Y72 PolarHBondContact O-N 3Å; D65-Y72 HydrophobicContact CB-CE2 3.96Å; T70-Y72 HydrophobicContact CG2-CD1 4.12Å; T70-Y72 HydrophobicContact CG2-CD2 4.43Å; T70-Y72 HydrophobicContact CG2-CE1 3.47Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.47Å; T70-Y72 HydrophobicContact CG2-CE2 3.83Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.33Å
73	L	98.8	Very high	97.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	109.5	167.4	-171.7	68.3	0	0	0	108.4	K11 L12 W28 V40 A41 F60 I62 M75 Y86	K11-L73 CarbonylContact C-O 3.52Å; K11-L73 WeakPolarHBondContact CA-O 3.41Å; L12-L73 HydrophobicContact CB-CB 4.28Å; L12-L73 HydrophobicContact CD1-CD2 4.47Å; L12-L73 PolarHBondContact N-O 3.3Å; L12-L73 PolarHBondContact O-N 3.15Å; W28-L73 HydrophobicContact CB-CD2 4.18Å; W28-L73 HydrophobicContact CD2-CB 4.13Å; W28-L73 HydrophobicContact CD2-CD2 4.3Å; W28-L73 HydrophobicContact CG-CB 4.08Å; W28-L73 HydrophobicContact CG-CD1 4.41Å; W28-L73 HydrophobicContact CG-CD2 4.02Å; W28-L73 HydrophobicContact CG-CG 4.41Å; W28-L73 HydrophobicContact CZ2-CB 4.41Å; V40-L73 HydrophobicContact CG1-CD1 4.38Å; V40-L73 HydrophobicContact CG1-CD2 3.84Å; A41-L73 HydrophobicContact CB-CD1 4.22Å; F60-L73 HydrophobicContact CB-CD1 4.23Å; F60-L73 HydrophobicContact CD2-CD2 4.34Å; I62-L73 HydrophobicContact CB-CD1 4.32Å; L73-M75 HydrophobicContact CD2-CG 3.76Å; L73-M75 HydrophobicContact CD2-SD 3.85Å; L73-M75 HydrophobicContact CG-CG 3.81Å; L73-M75 HydrophobicContact CG-SD 4.41Å; L73-Y86 HydrophobicContact CD2-CD1 4.18Å; L73-Y86 HydrophobicContact CD2-CE1 4.21Å
74	Q	98.6	Very high	97.7	Very high	64 Å²	64	48.4 Å²	48.4	30%	0.299	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	120.9	167	-178.6	61.4	42.8	0	0	107.9	F60 T61	F60-Q74 CarbonylContact C-O 3.59Å; F60-Q74 VanDerWaalsContact CA-O 3.25Å; F60-Q74 WeakPolarHBondContact CA-O 3.25Å; T61-Q74 PolarHBondContact N-O 3.16Å; T61-Q74 PolarHBondContact O-N 2.96Å
75	M	98.4	Very high	97.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	112.3	179.9	-63.2	165.2	55.6	0	0	108	S9 L10 L12 F60 L73 L78 Y86 V108	S9-M75 CarbonylContact C-O 3.6Å; S9-M75 WeakPolarHBondContact CA-O 3.15Å; S9-M75 WeakPolarHBondContact CB-O 3.14Å; L10-M75 PolarHBondContact N-O 2.84Å; L10-M75 WeakPolarHBondContact O-CB 3.45Å; L10-M75 PolarHBondContact O-N 3Å; L12-M75 HydrophobicContact CD1-SD 3.74Å; L12-M75 HydrophobicContact CG-SD 3.87Å; F60-M75 HydrophobicContact CD1-CB 3.86Å; F60-M75 HydrophobicContact CD1-CG 4.05Å; F60-M75 HydrophobicContact CD2-CG 4.09Å; F60-M75 HydrophobicContact CE1-CB 3.77Å; F60-M75 HydrophobicContact CE1-CG 4.08Å; F60-M75 HydrophobicContact CE2-CE 4.23Å; F60-M75 HydrophobicContact CE2-CG 4.1Å; F60-M75 HydrophobicContact CG-CB 4.39Å; F60-M75 HydrophobicContact CG-CG 4.09Å; F60-M75 HydrophobicContact CZ-CB 4.21Å; F60-M75 HydrophobicContact CZ-CE 3.95Å; F60-M75 HydrophobicContact CZ-CG 4.11Å; L73-M75 HydrophobicContact CD2-CG 3.76Å; L73-M75 HydrophobicContact CD2-SD 3.85Å; L73-M75 HydrophobicContact CG-CG 3.81Å; L73-M75 HydrophobicContact CG-SD 4.41Å; M75-L78 HydrophobicContact CB-CD1 4.2Å; M75-L78 HydrophobicContact CB-CD2 4.07Å; M75-L78 HydrophobicContact CB-CG 4.22Å; M75-L78 HydrophobicContact CE-CD1 4.14Å; M75-L78 HydrophobicContact CE-CD2 3.32Å; M75-L78 HydrophobicContact CE-CG 4.31Å; M75-Y86 HydrophobicContact CE-CE1 4.08Å; M75-Y86 HydrophobicContact CE-CE2 4.16Å; M75-Y86 HydrophobicContact SD-CE1 4.23Å; M75-V108 HydrophobicContact CE-CG1 3.96Å; M75-V108 HydrophobicContact CE-CG2 4.41Å
76	S	98.1	Very high	97.7	Very high	38 Å²	38	47.6 Å²	47.6	27%	0.266	26%	0.262	S	S	.	.			trans	-112.8	157.1	178.3	-55.3	0	0	0	0	110.7	R59 L78	R59-S76 WeakPolarHBondContact CB-O 3.5Å; R59-S76 WeakPolarHBondContact O-CB 3.44Å; R59-S76 PolarHBondContact O-N 2.81Å; S76-L78 VanDerWaalsContact C-N 3.31Å; S76-L78 PolarHBondContact O-N 2.81Å
77	S	97.4	Very high	97.7	Very high	69 Å²	69	46.7 Å²	46.7	48%	0.483	26%	0.255	S	S	.	.	S	Bend	trans	50.1	52.5	178.3	-54.3	0	0	0	0	111.9	G8 R59	G8-S77 PolarHBondContact O-N 3.3Å; R59-S77 PolarHBondContact NH1-O 3.45Å
78	L	97.8	Very high	97.8	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	22%	0.22	C	C	.	.			trans	-64.5	142.5	-177.1	-82.1	166.6	0	0	0	111.8	V4 P6 G7 G8 L10 F60 M75 S76 D82 V110	V4-L78 HydrophobicContact CG2-CD1 3.65Å; P6-L78 CarbonylContact C-O 3.53Å; P6-L78 WeakPolarHBondContact CA-O 3.44Å; G7-L78 PolarHBondContact N-O 2.99Å; G8-L78 PolarHBondContact O-N 2.02Å; L10-L78 HydrophobicContact CB-CD1 4.01Å; F60-L78 HydrophobicContact CE1-CD2 3.78Å; F60-L78 HydrophobicContact CZ-CD2 3.7Å; M75-L78 HydrophobicContact CB-CD1 4.2Å; M75-L78 HydrophobicContact CB-CD2 4.07Å; M75-L78 HydrophobicContact CB-CG 4.22Å; M75-L78 HydrophobicContact CE-CD1 4.14Å; M75-L78 HydrophobicContact CE-CD2 3.32Å; M75-L78 HydrophobicContact CE-CG 4.31Å; S76-L78 VanDerWaalsContact C-N 3.31Å; S76-L78 PolarHBondContact O-N 2.81Å; L78-D82 HydrophobicContact CD2-CB 3.61Å; L78-V110 HydrophobicContact CB-CG1 4.21Å; L78-V110 HydrophobicContact CB-CG2 4.04Å; L78-V110 HydrophobicContact CD1-CG2 4.49Å; L78-V110 HydrophobicContact CD2-CG2 4.25Å
79	K	96.9	Very high	97.7	Very high	108 Å²	108	36.4 Å²	36.4	47%	0.47	19%	0.194	S	C	.	.			trans	-119.9	161.6	177.6	-49.9	178	178.1	-179.3	0	110	E81 D82 V110	K79-E81 WeakPolarHBondContact CB-OE2 3.24Å; K79-E81 PolarHBondContact O-N 2.95Å; K79-E81 VanDerWaalsContact O-N 3.15Å; K79-D82 PolarHBondContact N-OD2 2.88Å; K79-D82 WeakPolarHBondContact O-CB 3.44Å; K79-D82 PolarHBondContact O-N 3.47Å; K79-V110 WeakPolarHBondContact O-CB 3.33Å; K79-V110 WeakPolarHBondContact O-CG1 3.22Å; K79-V110 WeakPolarHBondContact O-CG2 3.49Å
80	S	96	Very high	97.7	Very high	65 Å²	65	35.1 Å²	35.1	46%	0.455	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-55.5	-33.3	179	-56.4	0	0	0	0	112.3	D82 T83	S80-D82 PolarHBondContact O-N 2.92Å; S80-T83 VanDerWaalsContact O-CB 3.28Å; S80-T83 WeakPolarHBondContact O-CB 3.34Å; S80-T83 PolarHBondContact O-N 3.38Å; S80-T83 VanDerWaalsContact O-N 3.1Å; S80-T83 PolarHBondContact O-OG1 3.01Å
81	E	95.4	Very high	97.3	Very high	136 Å²	136	36.2 Å²	36.2	64%	0.636	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-69.7	-11.7	177.4	-52.1	78.7	-167.2	0	0	113.6	K79 T83	K79-E81 WeakPolarHBondContact CB-OE2 3.24Å; K79-E81 PolarHBondContact O-N 2.95Å; K79-E81 VanDerWaalsContact O-N 3.15Å; E81-T83 VanDerWaalsContact C-N 3.26Å
82	D	97.3	Very high	96.4	Very high	2 Å²	2	45 Å²	45	1%	0.011	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-84.7	0	172.7	-58.3	-51.6	0	0	0	112.7	R30 R59 F60 L78 K79 S80 A84 Y86 V110	R30-D82 IonicContact NH1-OD1 3.88Å; R30-D82 PolarHBondContact NH1-OD1 2.78Å; R59-D82 IonicContact CZ-OD1 3.85Å; R59-D82 IonicContact CZ-OD2 2.68Å; R59-D82 IonicContact NH1-OD1 2.95Å; R59-D82 IonicContact NH1-OD2 3.21Å; R59-D82 PolarHBondContact NH1-OD2 2.81Å; R59-D82 IonicContact NH2-OD1 3.39Å; R59-D82 PolarHBondContact NH2-OD1 2.83Å; R59-D82 IonicContact NH2-OD2 3.64Å; R59-D82 PolarHBondContact NH2-OD2 3.49Å; F60-D82 HydrophobicContact CZ-CB 4.2Å; L78-D82 HydrophobicContact CD2-CB 3.61Å; K79-D82 PolarHBondContact N-OD2 2.88Å; K79-D82 WeakPolarHBondContact O-CB 3.44Å; K79-D82 PolarHBondContact O-N 3.47Å; S80-D82 PolarHBondContact O-N 2.92Å; D82-A84 PolarHBondContact O-N 2.92Å; D82-Y86 WeakPolarHBondContact O-CE2 3.01Å; D82-Y86 PolarHBondContact O-OH 3.05Å; D82-V110 HydrophobicContact CB-CG2 4.37Å
83	T	97.8	Very high	95.2	Very high	38 Å²	38	44.1 Å²	44.1	23%	0.233	22%	0.223	C	C	.	.			trans	-64.9	114.5	171.5	-63.4	0	0	0	0	110.2	P33 S80 E81 V108 T109 V110	P33-T83 WeakPolarHBondContact CD-O 3.42Å; S80-T83 VanDerWaalsContact O-CB 3.28Å; S80-T83 WeakPolarHBondContact O-CB 3.34Å; S80-T83 PolarHBondContact O-N 3.38Å; S80-T83 VanDerWaalsContact O-N 3.1Å; S80-T83 PolarHBondContact O-OG1 3.01Å; E81-T83 VanDerWaalsContact C-N 3.26Å; T83-V108 WeakPolarHBondContact CA-O 3.25Å; T83-T109 HydrophobicContact CG2-CG2 4.41Å; T83-V110 PolarHBondContact OG1-N 2.98Å; T83-V110 PolarHBondContact OG1-O 3.01Å
84	A	98.1	Very high	93.9	Very high	6 Å²	6	51 Å²	51	5%	0.05	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	168.4	-176	0	0	0	0	0	111.8	R30 Q31 D82 Y86 V108	R30-A84 HydrophobicContact CB-CB 3.84Å; R30-A84 HydrophobicContact CG-CB 4.23Å; Q31-A84 WeakPolarHBondContact O-CA 3.5Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.48Å; D82-A84 PolarHBondContact O-N 2.92Å; A84-Y86 HydrophobicContact CB-CD2 4.21Å; A84-Y86 HydrophobicContact CB-CE2 3.77Å; A84-Y86 WeakPolarHBondContact O-CD2 3.41Å; A84-V108 PolarHBondContact N-O 3.01Å; A84-V108 PolarHBondContact O-N 3.3Å
85	M	98.4	Very high	92.7	Very high	59 Å²	59	54.1 Å²	54.1	29%	0.291	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	124.1	161.5	-76	-65.3	-64.8	0	0	109.5	R30 Q31 Y87 S107	R30-M85 CarbonylContact C-O 3.59Å; R30-M85 WeakPolarHBondContact CA-O 3.39Å; Q31-M85 HydrophobicContact CB-CB 4.34Å; Q31-M85 PolarHBondContact N-O 3.1Å; Q31-M85 PolarHBondContact O-N 3.49Å; M85-Y87 HydrophobicContact CB-CE2 3.57Å; M85-Y87 WeakPolarHBondContact CB-OH 3.32Å; M85-Y87 WeakPolarHBondContact O-CE2 3.25Å; M85-S107 WeakPolarHBondContact SD-CA 3.4Å; M85-S107 VanDerWaalsContact SD-CB 3.59Å; M85-S107 PolarHBondContact SD-N 2.98Å; M85-S107 VanDerWaalsContact SD-N 3.42Å
86	Y	98.5	Very high	91.1	Very high	1 Å²	1	59.8 Å²	59.8	0%	0.004	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.4	-179.1	-76.4	-103.8	0	0	0	111.2	L12 V29 R30 V40 F60 L73 M75 D82 A84 G105 T106 V108	L12-Y86 HydrophobicContact CD1-CD1 3.98Å; L12-Y86 HydrophobicContact CD1-CD2 4.47Å; L12-Y86 HydrophobicContact CD1-CG 3.79Å; V29-Y86 CarbonylContact O-C 3.48Å; V29-Y86 WeakPolarHBondContact O-CA 3.02Å; R30-Y86 HydrophobicContact CB-CD1 3.99Å; R30-Y86 HydrophobicContact CB-CD2 4.38Å; R30-Y86 HydrophobicContact CB-CE1 3.94Å; R30-Y86 HydrophobicContact CB-CE2 4.3Å; R30-Y86 HydrophobicContact CB-CG 4.22Å; V40-Y86 HydrophobicContact CG1-CE1 4.32Å; V40-Y86 HydrophobicContact CG2-CD1 4.34Å; V40-Y86 HydrophobicContact CG2-CE1 3.99Å; F60-Y86 HydrophobicContact CE2-CE1 4.45Å; L73-Y86 HydrophobicContact CD2-CD1 4.18Å; L73-Y86 HydrophobicContact CD2-CE1 4.21Å; M75-Y86 HydrophobicContact CE-CE1 4.08Å; M75-Y86 HydrophobicContact CE-CE2 4.16Å; M75-Y86 HydrophobicContact SD-CE1 4.23Å; D82-Y86 WeakPolarHBondContact O-CE2 3.01Å; D82-Y86 PolarHBondContact O-OH 3.05Å; A84-Y86 HydrophobicContact CB-CD2 4.21Å; A84-Y86 HydrophobicContact CB-CE2 3.77Å; A84-Y86 WeakPolarHBondContact O-CD2 3.41Å; Y86-G105 CarbonylContact O-C 3.51Å; Y86-G105 WeakPolarHBondContact O-CA 3.35Å; Y86-T106 PolarHBondContact N-O 3.28Å; Y86-T106 PolarHBondContact O-N 3.44Å; Y86-V108 HydrophobicContact CD2-CB 3.85Å; Y86-V108 HydrophobicContact CD2-CG2 3.65Å; Y86-V108 HydrophobicContact CE2-CB 3.79Å; Y86-V108 HydrophobicContact CE2-CG1 4.46Å; Y86-V108 HydrophobicContact CE2-CG2 3.98Å; Y86-V108 HydrophobicContact CG-CG2 4.38Å
87	Y	98.3	Very high	89.9	Confident	40 Å²	40	65.2 Å²	65.2	16%	0.157	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137	-178.8	-55.4	-92.5	0	0	0	109.7	W28 V29 Q31 M85 W102 G103	W28-Y87 CarbonylContact C-O 3.58Å; W28-Y87 WeakPolarHBondContact CA-O 3.29Å; V29-Y87 PolarHBondContact N-O 2.92Å; V29-Y87 PolarHBondContact O-N 3.47Å; Q31-Y87 HydrophobicContact CB-CE2 3.78Å; M85-Y87 HydrophobicContact CB-CE2 3.57Å; M85-Y87 WeakPolarHBondContact CB-OH 3.32Å; M85-Y87 WeakPolarHBondContact O-CE2 3.25Å; Y87-W102 HydrophobicContact CG-CE3 4.32Å; Y87-G103 WeakPolarHBondContact CD1-O 3.25Å
88	C	97.3	Very high	89.2	Confident	12 Å²	12	65.6 Å²	65.6	8%	0.081	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	145.2	161.6	55.2	0	0	0	0	109.4	C14 S27 W28 L71 G103	C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.37Å; C14-C88 WeakPolarHBondContact SG-CB 3.28Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.03Å; S27-C88 CarbonylContact O-C 3.57Å; S27-C88 VanDerWaalsContact O-CA 3.3Å; S27-C88 WeakPolarHBondContact O-CA 3.48Å; W28-C88 HydrophobicContact CD2-CB 4.48Å; W28-C88 HydrophobicContact CE3-CB 4.34Å; W28-C88 HydrophobicContact CH2-CB 4.29Å; W28-C88 HydrophobicContact CZ2-CB 4.42Å; W28-C88 HydrophobicContact CZ3-CB 4.25Å; L71-C88 HydrophobicContact CD2-CB 4.1Å; C88-G103 PolarHBondContact O-N 2.77Å
89	A	96.7	Very high	88.8	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.008	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	145	178.6	0	0	0	0	0	111.8	M26 S27 M99 Y101 W102	M26-A89 CarbonylContact C-O 3.48Å; M26-A89 WeakPolarHBondContact CA-O 3.41Å; S27-A89 PolarHBondContact N-O 2.84Å; S27-A89 PolarHBondContact O-N 3.48Å; A89-M99 HydrophobicContact CB-CB 4.22Å; A89-M99 HydrophobicContact CB-CG 4.17Å; A89-M99 HydrophobicContact CB-SD 3.49Å; A89-M99 WeakPolarHBondContact CB-SD 3.49Å; A89-Y101 CarbonylContact C-O 3.58Å; A89-Y101 WeakPolarHBondContact CA-O 3.42Å; A89-W102 HydrophobicContact CB-CD2 3.9Å; A89-W102 HydrophobicContact CB-CE3 4.06Å; A89-W102 HydrophobicContact CB-CG 4.36Å; A89-W102 HydrophobicContact CB-CZ2 4.37Å; A89-W102 HydrophobicContact CB-CZ3 4.38Å
90	R	95.4	Very high	88.5	Confident	37 Å²	37	65.3 Å²	65.3	14%	0.14	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	139.2	170.8	-174.5	-177.6	72.9	-178.7	5.5	109.7	F19 Y24 M26 M99 D100 Y101	F19-R90 HydrophobicContact CE2-CG 4.15Å; F19-R90 HydrophobicContact CZ-CB 4.3Å; F19-R90 HydrophobicContact CZ-CG 4.33Å; Y24-R90 HydrophobicContact CD1-CG 4.05Å; Y24-R90 HydrophobicContact CD2-CG 4.49Å; Y24-R90 HydrophobicContact CG-CG 3.83Å; M26-R90 HydrophobicContact SD-CB 4.09Å; M26-R90 HydrophobicContact SD-CG 4.24Å; R90-M99 VanDerWaalsContact O-CA 3.26Å; R90-M99 WeakPolarHBondContact O-CA 3.29Å; R90-D100 IonicContact CZ-OD1 3.02Å; R90-D100 VanDerWaalsContact CZ-OD1 3.31Å; R90-D100 IonicContact CZ-OD2 2.68Å; R90-D100 IonicContact NE-OD1 3.52Å; R90-D100 PolarHBondContact NE-OD1 2.71Å; R90-D100 IonicContact NE-OD2 3.31Å; R90-D100 IonicContact NH2-OD1 2.81Å; R90-D100 PolarHBondContact NH2-OD1 2.76Å; R90-D100 IonicContact NH2-OD2 3.83Å; R90-D100 PolarHBondContact NH2-OD2 3.21Å; R90-D100 PolarHBondContact O-N 2.8Å; R90-Y101 PolarHBondContact N-O 3.03Å
91	R	90.3	Very high	88.4	Confident	39 Å²	39	66.9 Å²	66.9	15%	0.147	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.9	173	-176.1	177.8	64.3	82.9	16.6	109.9	G25 G93 I94 Y95	G25-R91 PolarHBondContact O-N 2.96Å; R91-G93 PolarHBondContact NH1-O 2.84Å; R91-I94 PolarHBondContact NH1-O 3.18Å; R91-Y95 VanDerWaalsContact CD-O 3.28Å; R91-Y95 WeakPolarHBondContact CD-O 3.33Å; R91-Y95 VanDerWaalsContact CG-O 3.31Å; R91-Y95 WeakPolarHBondContact CG-O 3.32Å
92	R	80.9	Confident	88.4	Confident	184 Å²	184	65.2 Å²	65.2	69%	0.694	29%	0.288	S	S	*	.			trans	-84.7	-39.4	-174.9	-173.8	174.8	172.6	-175.2	-1.4	113.8	E98 D100	R92-E98 PolarHBondContact N-O 2.87Å; R92-D100 VanDerWaalsContact CD-OD2 3.26Å; R92-D100 WeakPolarHBondContact CD-OD2 3.38Å
93	G	73.3	Confident	88.3	Confident	25 Å²	25	66.1 Å²	66.1	26%	0.258	30%	0.298	S	S	.	.	S	Bend	trans	-112.5	-151.6	-178.6	0	0	0	0	0	114.4	R91 E98	R91-G93 PolarHBondContact NH1-O 2.84Å; G93-E98 WeakPolarHBondContact CA-OE2 3.27Å; G93-E98 PolarHBondContact N-OE2 3.1Å
94	I	70.6	Confident	88.2	Confident	146 Å²	146	73.3 Å²	73.3	75%	0.749	33%	0.329	S	S	*	.	S	Bend	trans	-81.1	-33.4	-175.5	-64.3	169.1	0	0	0	111	R91	R91-I94 PolarHBondContact NH1-O 3.18Å
95	Y	72.8	Confident	88.1	Confident	128 Å²	128	74.4 Å²	74.4	50%	0.502	34%	0.341	S	S	.	.	S	Bend	trans	-90.2	148	-176.1	-58.9	-74.4	0	0	0	113.1	R91 Y97 E98	R91-Y95 VanDerWaalsContact CD-O 3.28Å; R91-Y95 WeakPolarHBondContact CD-O 3.33Å; R91-Y95 VanDerWaalsContact CG-O 3.31Å; R91-Y95 WeakPolarHBondContact CG-O 3.32Å; Y95-Y97 VanDerWaalsContact C-N 3.26Å; Y95-Y97 VanDerWaalsContact CB-CZ 3.43Å; Y95-Y97 HydrophobicContact CD1-CE1 4.07Å; Y95-Y97 HydrophobicContact CD2-CE1 4.45Å; Y95-Y97 AromaticContact CD2-CZ 3.92Å; Y95-Y97 VanDerWaalsContact CD2-OH 3.32Å; Y95-Y97 WeakPolarHBondContact CD2-OH 3.49Å; Y95-Y97 AromaticContact CG-CE1 3.72Å; Y95-Y97 HydrophobicContact CG-CE1 3.72Å; Y95-Y97 HydrophobicContact CG-CE2 4.49Å; Y95-Y97 AromaticContact CG-CZ 3.63Å; Y95-Y97 PolarHBondContact O-N 3.29Å; Y95-E98 PolarHBondContact O-N 3.25Å
96	Y	66.8	Low	88.1	Confident	120 Å²	120	73.4 Å²	73.4	47%	0.471	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-16.3	-177.3	59.8	-96.8	0	0	0	114.1	L39 M99	L39-Y96 HydrophobicContact CD2-CD2 3.84Å; L39-Y96 HydrophobicContact CD2-CE2 4.39Å; L39-Y96 HydrophobicContact CD2-CG 3.96Å; Y96-M99 WeakPolarHBondContact O-CE 3.37Å; Y96-M99 WeakPolarHBondContact O-CG 3.38Å
97	Y	72.4	Confident	88	Confident	151 Å²	151	76.3 Å²	76.3	59%	0.592	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-8.8	178.1	54.7	-102.2	0	0	0	113.9	Y95 M99	Y95-Y97 VanDerWaalsContact C-N 3.26Å; Y95-Y97 VanDerWaalsContact CB-CZ 3.43Å; Y95-Y97 HydrophobicContact CD1-CE1 4.07Å; Y95-Y97 HydrophobicContact CD2-CE1 4.45Å; Y95-Y97 AromaticContact CD2-CZ 3.92Å; Y95-Y97 VanDerWaalsContact CD2-OH 3.32Å; Y95-Y97 WeakPolarHBondContact CD2-OH 3.49Å; Y95-Y97 AromaticContact CG-CE1 3.72Å; Y95-Y97 HydrophobicContact CG-CE1 3.72Å; Y95-Y97 HydrophobicContact CG-CE2 4.49Å; Y95-Y97 AromaticContact CG-CZ 3.63Å; Y95-Y97 PolarHBondContact O-N 3.29Å; Y97-M99 VanDerWaalsContact C-N 3.26Å; Y97-M99 PolarHBondContact O-N 2.99Å
98	E	83.1	Confident	88	Confident	77 Å²	77	74.4 Å²	74.4	36%	0.36	35%	0.352	S	S	.	.			trans	-85.1	64	177.7	-64.8	178.1	-159.1	0	0	111.6	R92 G93 Y95	R92-E98 PolarHBondContact N-O 2.87Å; G93-E98 WeakPolarHBondContact CA-OE2 3.27Å; G93-E98 PolarHBondContact N-OE2 3.1Å; Y95-E98 PolarHBondContact O-N 3.25Å
99	M	89.1	Confident	88.1	Confident	35 Å²	35	76.2 Å²	76.2	17%	0.172	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	119.3	-179.6	-60	-175.3	-173.2	0	0	111.6	S27 V29 L39 A89 R90 Y96 Y97 W102	S27-M99 VanDerWaalsContact CB-CE 3.47Å; V29-M99 HydrophobicContact CG2-CE 3.63Å; V29-M99 HydrophobicContact CG2-SD 3.65Å; L39-M99 HydrophobicContact CD1-CE 3.79Å; A89-M99 HydrophobicContact CB-CB 4.22Å; A89-M99 HydrophobicContact CB-CG 4.17Å; A89-M99 HydrophobicContact CB-SD 3.49Å; A89-M99 WeakPolarHBondContact CB-SD 3.49Å; R90-M99 VanDerWaalsContact O-CA 3.26Å; R90-M99 WeakPolarHBondContact O-CA 3.29Å; Y96-M99 WeakPolarHBondContact O-CE 3.37Å; Y96-M99 WeakPolarHBondContact O-CG 3.38Å; Y97-M99 VanDerWaalsContact C-N 3.26Å; Y97-M99 PolarHBondContact O-N 2.99Å; M99-W102 HydrophobicContact CB-CZ2 3.81Å; M99-W102 HydrophobicContact CG-CZ2 4.37Å; M99-W102 HydrophobicContact SD-CH2 3.85Å; M99-W102 HydrophobicContact SD-CZ2 3.63Å
100	D	90.1	Very high	88.1	Confident	69 Å²	69	76.4 Å²	76.4	37%	0.369	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	-6.8	-172.7	64.7	-10.4	0	0	0	114.4	R90 R92	R90-D100 IonicContact CZ-OD1 3.02Å; R90-D100 VanDerWaalsContact CZ-OD1 3.31Å; R90-D100 IonicContact CZ-OD2 2.68Å; R90-D100 IonicContact NE-OD1 3.52Å; R90-D100 PolarHBondContact NE-OD1 2.71Å; R90-D100 IonicContact NE-OD2 3.31Å; R90-D100 IonicContact NH2-OD1 2.81Å; R90-D100 PolarHBondContact NH2-OD1 2.76Å; R90-D100 IonicContact NH2-OD2 3.83Å; R90-D100 PolarHBondContact NH2-OD2 3.21Å; R90-D100 PolarHBondContact O-N 2.8Å; R92-D100 VanDerWaalsContact CD-OD2 3.26Å; R92-D100 WeakPolarHBondContact CD-OD2 3.38Å
101	Y	92.9	Very high	88	Confident	98 Å²	98	77.1 Å²	77.1	38%	0.384	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	128.5	174.7	-167.6	-86.9	0	0	0	110	F19 A89 R90	F19-Y101 AromaticContact CE1-CD1 3.79Å; F19-Y101 HydrophobicContact CE1-CD1 3.79Å; F19-Y101 AromaticContact CE1-CE1 3.91Å; F19-Y101 HydrophobicContact CE1-CE1 3.91Å; F19-Y101 HydrophobicContact CE1-CG 4.21Å; A89-Y101 CarbonylContact C-O 3.58Å; A89-Y101 WeakPolarHBondContact CA-O 3.42Å; R90-Y101 PolarHBondContact N-O 3.03Å
102	W	95.7	Very high	87.9	Confident	102 Å²	102	82.2 Å²	82.2	39%	0.386	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.1	-174.2	-68.6	74.8	0	0	0	111	V29 Y87 A89 M99	V29-W102 HydrophobicContact CB-CH2 3.98Å; V29-W102 HydrophobicContact CB-CZ3 3.71Å; V29-W102 HydrophobicContact CG1-CH2 3.85Å; V29-W102 HydrophobicContact CG1-CZ3 3.81Å; V29-W102 HydrophobicContact CG2-CH2 3.8Å; V29-W102 HydrophobicContact CG2-CZ3 3.94Å; Y87-W102 HydrophobicContact CG-CE3 4.32Å; A89-W102 HydrophobicContact CB-CD2 3.9Å; A89-W102 HydrophobicContact CB-CE3 4.06Å; A89-W102 HydrophobicContact CB-CG 4.36Å; A89-W102 HydrophobicContact CB-CZ2 4.37Å; A89-W102 HydrophobicContact CB-CZ3 4.38Å; M99-W102 HydrophobicContact CB-CZ2 3.81Å; M99-W102 HydrophobicContact CG-CZ2 4.37Å; M99-W102 HydrophobicContact SD-CH2 3.85Å; M99-W102 HydrophobicContact SD-CZ2 3.63Å
103	G	96	Very high	88.2	Confident	21 Å²	21	77.1 Å²	77.1	22%	0.216	40%	0.401	C	S	.	.			trans	-73	166	168.4	0	0	0	0	0	111.8	Y87 C88 G105	Y87-G103 WeakPolarHBondContact CD1-O 3.25Å; C88-G103 PolarHBondContact O-N 2.77Å; G103-G105 PolarHBondContact O-N 3.4Å; G103-G105 VanDerWaalsContact O-N 3.16Å
104	Q	95.4	Very high	89	Confident	188 Å²	188	79.8 Å²	79.8	88%	0.879	41%	0.409	S	S	*	.			trans	-64.9	-18.1	178.9	-64.5	-61	-31.7	0	0	113.7
105	G	96.5	Very high	90	Very high	30 Å²	30	76.2 Å²	76.2	31%	0.309	39%	0.39	S	S	.	.			trans	86.7	162.7	-178.1	0	0	0	0	0	113.3	Y86 G103	Y86-G105 CarbonylContact O-C 3.51Å; Y86-G105 WeakPolarHBondContact O-CA 3.35Å; G103-G105 PolarHBondContact O-N 3.4Å; G103-G105 VanDerWaalsContact O-N 3.16Å
106	T	97.7	Very high	91	Very high	37 Å²	37	73.1 Å²	73.1	23%	0.227	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	138	175.3	-176.9	0	0	0	0	110.5	G1 L12 Y86	G1-T106 WeakPolarHBondContact CA-OG1 3.46Å; G1-T106 PolarHBondContact N-OG1 2.85Å; L12-T106 HydrophobicContact CD1-CG2 4.12Å; L12-T106 HydrophobicContact CD2-CG2 4Å; Y86-T106 PolarHBondContact N-O 3.28Å; Y86-T106 PolarHBondContact O-N 3.44Å
107	S	97.6	Very high	92.6	Very high	63 Å²	63	70.2 Å²	70.2	44%	0.441	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	136.2	174.9	-171.1	0	0	0	0	111.1	G1 G2 M85	G1-S107 CarbonylContact C-O 3.59Å; G1-S107 WeakPolarHBondContact CA-O 3.12Å; G2-S107 PolarHBondContact N-O 3.49Å; G2-S107 VanDerWaalsContact N-O 3.15Å; M85-S107 WeakPolarHBondContact SD-CA 3.4Å; M85-S107 VanDerWaalsContact SD-CB 3.59Å; M85-S107 PolarHBondContact SD-N 2.98Å; M85-S107 VanDerWaalsContact SD-N 3.42Å
108	V	98.1	Very high	93.9	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125	165.2	177.8	0	0	0	0	107.4	V4 L10 L12 M75 T83 A84 Y86 V110	V4-V108 HydrophobicContact CG2-CG1 4.48Å; L10-V108 HydrophobicContact CD2-CG1 3.98Å; L10-V108 HydrophobicContact CD2-CG2 3.78Å; L12-V108 HydrophobicContact CD1-CG2 4.1Å; L12-V108 HydrophobicContact CD2-CG2 3.98Å; M75-V108 HydrophobicContact CE-CG1 3.96Å; M75-V108 HydrophobicContact CE-CG2 4.41Å; T83-V108 WeakPolarHBondContact CA-O 3.25Å; A84-V108 PolarHBondContact N-O 3.01Å; A84-V108 PolarHBondContact O-N 3.3Å; Y86-V108 HydrophobicContact CD2-CB 3.85Å; Y86-V108 HydrophobicContact CD2-CG2 3.65Å; Y86-V108 HydrophobicContact CE2-CB 3.79Å; Y86-V108 HydrophobicContact CE2-CG1 4.46Å; Y86-V108 HydrophobicContact CE2-CG2 3.98Å; Y86-V108 HydrophobicContact CG-CG2 4.38Å; V108-V110 HydrophobicContact CG1-CG2 4.38Å
109	T	97.8	Very high	94.7	Very high	50 Å²	50	63.9 Å²	63.9	31%	0.307	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.1	177.5	-55.7	0	0	0	0	109.1	G2 L3 V4 T83	G2-T109 PolarHBondContact O-N 3.04Å; L3-T109 WeakPolarHBondContact CA-O 3.33Å; L3-T109 HydrophobicContact CD1-CG2 3.71Å; V4-T109 PolarHBondContact N-O 3.02Å; T83-T109 HydrophobicContact CG2-CG2 4.41Å
110	V	97	Very high	95.1	Very high	5 Å²	5	66.2 Å²	66.2	3%	0.03	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	102.8	175.5	-169.4	0	0	0	0	108.9	V4 P6 L78 K79 D82 T83 V108	V4-V110 HydrophobicContact CG2-CG2 4.18Å; V4-V110 VanDerWaalsContact O-CA 3.24Å; V4-V110 WeakPolarHBondContact O-CA 3.47Å; P6-V110 HydrophobicContact CB-CG1 4.4Å; P6-V110 HydrophobicContact CG-CG1 4.11Å; L78-V110 HydrophobicContact CB-CG1 4.21Å; L78-V110 HydrophobicContact CB-CG2 4.04Å; L78-V110 HydrophobicContact CD1-CG2 4.49Å; L78-V110 HydrophobicContact CD2-CG2 4.25Å; K79-V110 WeakPolarHBondContact O-CB 3.33Å; K79-V110 WeakPolarHBondContact O-CG1 3.22Å; K79-V110 WeakPolarHBondContact O-CG2 3.49Å; D82-V110 HydrophobicContact CB-CG2 4.37Å; T83-V110 PolarHBondContact OG1-N 2.98Å; T83-V110 PolarHBondContact OG1-O 3.01Å; V108-V110 HydrophobicContact CG1-CG2 4.38Å
111	S	94.2	Very high	95.5	Very high	51 Å²	51	65.9 Å²	65.9	36%	0.357	38%	0.38	S	S	.	.			trans	-150.2	154	-179.6	64.3	0	0	0	0	111.3	L3 V4	L3-S111 WeakPolarHBondContact CD1-OG 3.19Å; V4-S111 PolarHBondContact O-N 3.49Å
112	S	87.4	Confident	95.8	Very high	146 Å²	146	63 Å²	63	100%	1.021	38%	0.379	S	S	*	.			trans	-73.4	0	177	56.9	0	0	0	0	112.6	Q5	Q5-S112 PolarHBondContact NE2-OXT 2.94Å; Q5-S112 VanDerWaalsContact NE2-OXT 3.17Å

Retrieved 112 of 112 residues in 27.2 ms (Link to these results)

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