X5J4S3_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4S3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 107 aa.

						>X5J4S3_MOUSE|X5J4S3
PQLVRPGASVKISCKASGYAFSSSWMNWVKQRPGKGLEWIGRIYPGDGDTNYNGKFKGKATLTADKSSSTAYMQLSSLTSEDSAVYFCARELPRGYWGQGTTLTVSS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	P	69.2	Low	91.3	Very high	148 Å²	148	83.6 Å²	83.6	96%	0.961	47%	0.469	S	S	*	.				0	126.8	0	-9.2	28.1	0	0	0	110.3	T102	P1-T102 CarbonylContact C-O 3.52Å; P1-T102 WeakPolarHBondContact CA-O 3.31Å
2	Q	84.8	Confident	91.7	Very high	80 Å²	80	77.3 Å²	77.3	37%	0.374	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.8	-178.8	-166.8	168.8	5.2	0	0	109.8	V4 V10 T102 L103 T104	Q2-V4 HydrophobicContact CG-CG1 3.94Å; Q2-V10 HydrophobicContact CG-CG2 4.49Å; Q2-V10 VanDerWaalsContact NE2-CG2 3.29Å; Q2-T102 PolarHBondContact N-O 2.6Å; Q2-L103 HydrophobicContact CB-CD1 4.02Å; Q2-L103 HydrophobicContact CG-CD1 4.3Å; Q2-T104 PolarHBondContact O-N 2.69Å
3	L	91.6	Very high	92.1	Very high	129 Å²	129	76.9 Å²	76.9	68%	0.675	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.1	175.1	-178	64.9	0	0	0	108.9	T104	L3-T104 WeakPolarHBondContact CA-O 3.46Å; L3-T104 HydrophobicContact CD1-CG2 3.84Å
4	V	93.8	Very high	92.4	Very high	19 Å²	19	72.4 Å²	72.4	12%	0.115	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	158.8	-178.1	-59.6	0	0	0	0	111.2	Q2 A8 L78 L103 T104 V105 S106	Q2-V4 HydrophobicContact CG-CG1 3.94Å; V4-A8 HydrophobicContact CB-CB 4.42Å; V4-L78 HydrophobicContact CG2-CD1 3.56Å; V4-L103 HydrophobicContact CG1-CD1 4.19Å; V4-L103 HydrophobicContact CG2-CD1 3.88Å; V4-T104 PolarHBondContact N-O 3.49Å; V4-V105 HydrophobicContact CG2-CB 4.29Å; V4-V105 HydrophobicContact CG2-CG1 4.35Å; V4-V105 HydrophobicContact CG2-CG2 3.78Å; V4-V105 CarbonylContact O-C 3.55Å; V4-V105 WeakPolarHBondContact O-CA 3.48Å; V4-S106 PolarHBondContact O-N 2.64Å; V4-S106 PolarHBondContact O-OG 2.94Å
5	R	93.5	Very high	92.6	Very high	199 Å²	199	78.2 Å²	78.2	75%	0.751	43%	0.433	S	S	*	.			trans	-85.3	157	175.6	-63.7	-177.9	-177.5	177.2	0.2	111	A8	R5-A8 WeakPolarHBondContact O-CB 3.29Å; R5-A8 PolarHBondContact O-N 3.26Å
6	P	94.9	Very high	92.6	Very high	66 Å²	66	74 Å²	74	43%	0.429	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	148.3	171	-23.4	35.8	0	0	0	111.6	A8 L78 V105 S106	P6-A8 PolarHBondContact O-N 3.01Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.4Å; P6-V105 HydrophobicContact CG-CG1 4.27Å; P6-S106 WeakPolarHBondContact CD-O 3.42Å; P6-S106 WeakPolarHBondContact CG-O 3.35Å
7	G	93.6	Very high	92.5	Very high	52 Å²	52	75.6 Å²	75.6	54%	0.536	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	-13.5	-177.3	0	0	0	0	0	114.7	L78	G7-L78 PolarHBondContact N-O 2.91Å
8	A	94.7	Very high	92.2	Very high	35 Å²	35	76.4 Å²	76.4	29%	0.289	46%	0.457	S	S	.	.			trans	-65.6	162.2	176.3	0	0	0	0	0	112	V4 R5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.42Å; R5-A8 WeakPolarHBondContact O-CB 3.29Å; R5-A8 PolarHBondContact O-N 3.26Å; P6-A8 PolarHBondContact O-N 3.01Å; A8-S77 PolarHBondContact O-N 3.12Å; A8-L78 WeakPolarHBondContact O-CB 3.31Å; A8-L78 VanDerWaalsContact O-CG 3.27Å; A8-L78 WeakPolarHBondContact O-CG 3.29Å; A8-L78 PolarHBondContact O-N 2.85Å
9	S	95.6	Very high	91.8	Very high	70 Å²	70	75.5 Å²	75.5	49%	0.49	45%	0.445	S	S	.	.			trans	-112.6	145.3	168.4	-60.9	0	0	0	0	110	L75 S76	S9-L75 CarbonylContact C-O 3.47Å; S9-L75 WeakPolarHBondContact CA-O 3.28Å; S9-L75 WeakPolarHBondContact CB-O 3.41Å; S9-S76 WeakPolarHBondContact OG-CA 3.25Å
10	V	95.7	Very high	91.7	Very high	4 Å²	4	74.7 Å²	74.7	2%	0.024	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	142.8	178.7	70.3	0	0	0	0	110.8	Q2 I12 Q74 L75 L78 L103	Q2-V10 HydrophobicContact CG-CG2 4.49Å; Q2-V10 VanDerWaalsContact NE2-CG2 3.29Å; V10-I12 HydrophobicContact CG1-CG1 4.48Å; V10-Q74 CarbonylContact O-C 3.57Å; V10-Q74 VanDerWaalsContact O-CA 3.25Å; V10-Q74 WeakPolarHBondContact O-CA 3.46Å; V10-L75 HydrophobicContact CG1-CB 3.98Å; V10-L75 HydrophobicContact CG1-CD1 4.27Å; V10-L75 PolarHBondContact N-O 2.85Å; V10-L75 PolarHBondContact O-N 3.26Å; V10-L78 HydrophobicContact CB-CD1 4.06Å; V10-L78 HydrophobicContact CG1-CD1 3.74Å; V10-L78 HydrophobicContact CG1-CD2 4.45Å; V10-L103 HydrophobicContact CB-CD1 4.49Å; V10-L103 HydrophobicContact CG1-CD1 4.16Å; V10-L103 HydrophobicContact CG1-CD2 3.86Å; V10-L103 HydrophobicContact CG2-CD1 4.28Å
11	K	96.7	Very high	91.7	Very high	118 Å²	118	71.4 Å²	71.4	51%	0.513	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117	173.6	-172.9	174.6	178.2	178.8	0	109.2	Y72	K11-Y72 HydrophobicContact CD-CD1 4.27Å; K11-Y72 VanDerWaalsContact CE-CB 3.45Å; K11-Y72 HydrophobicContact CG-CD1 4.24Å
12	I	96.6	Very high	92.8	Very high	7 Å²	7	67.2 Å²	67.2	4%	0.036	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	133.2	176.5	-54	-177.8	0	0	0	107.9	V10 W28 Y72 M73 L75 Y86 T101	V10-I12 HydrophobicContact CG1-CG1 4.48Å; I12-W28 HydrophobicContact CB-CH2 4.35Å; I12-W28 HydrophobicContact CB-CZ3 4.14Å; I12-W28 HydrophobicContact CG2-CH2 4.07Å; I12-W28 HydrophobicContact CG2-CZ3 3.72Å; I12-W28 WeakPolarHBondContact O-CH2 3.42Å; I12-Y72 CarbonylContact O-C 3.54Å; I12-Y72 VanDerWaalsContact O-CA 3.24Å; I12-Y72 WeakPolarHBondContact O-CA 3.42Å; I12-M73 HydrophobicContact CB-CE 4.5Å; I12-M73 HydrophobicContact CD1-CE 3.79Å; I12-M73 HydrophobicContact CG1-CE 4.45Å; I12-M73 PolarHBondContact N-O 3.3Å; I12-M73 PolarHBondContact O-N 3.18Å; I12-L75 HydrophobicContact CD1-CD1 4.44Å; I12-Y86 HydrophobicContact CD1-CD2 3.91Å; I12-Y86 HydrophobicContact CD1-CG 3.82Å; I12-T101 HydrophobicContact CG2-CG2 4.3Å
13	S	96.8	Very high	93.1	Very high	73 Å²	73	66.6 Å²	66.6	51%	0.51	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	151	178.1	59.9	0	0	0	0	111.8	A71	S13-A71 CarbonylContact C-O 3.6Å; S13-A71 WeakPolarHBondContact CA-O 3.26Å
14	C	96.1	Very high	93.1	Very high	14 Å²	14	61.6 Å²	61.6	10%	0.095	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	108	172.3	177	0	0	0	0	109.1	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.74Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; C14-T70 CarbonylContact O-C 3.5Å; C14-T70 WeakPolarHBondContact O-CA 3.27Å; C14-A71 PolarHBondContact N-O 2.8Å; C14-A71 PolarHBondContact O-N 2.95Å; C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.49Å; C14-C88 WeakPolarHBondContact SG-CB 3.02Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.77Å
15	K	95.4	Very high	93.1	Very high	159 Å²	159	64 Å²	64	69%	0.691	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	122.4	177.9	-173	172.7	-175	177.9	0	109.7
16	A	92.5	Very high	93.2	Very high	11 Å²	11	54.7 Å²	54.7	9%	0.091	35%	0.354	C	S	.	.			trans	-82.5	149.4	175	0	0	0	0	0	111.3	Y19 F21 M26 S69	A16-Y19 HydrophobicContact CB-CE1 3.73Å; A16-Y19 HydrophobicContact CB-CE2 4.38Å; A16-Y19 VanDerWaalsContact CB-OH 3.25Å; A16-Y19 WeakPolarHBondContact CB-OH 3.48Å; A16-F21 HydrophobicContact CB-CB 4.15Å; A16-F21 HydrophobicContact CB-CD2 3.38Å; A16-F21 HydrophobicContact CB-CE2 4.08Å; A16-F21 HydrophobicContact CB-CG 4.05Å; A16-M26 HydrophobicContact CB-CE 4.32Å; A16-S69 WeakPolarHBondContact CB-O 3.35Å; A16-S69 PolarHBondContact N-O 3.13Å
17	S	90.5	Very high	93.3	Very high	102 Å²	102	52.1 Å²	52.1	71%	0.713	34%	0.336	S	S	*	.			trans	-148.5	152.5	174.1	59.4	0	0	0	0	110.2	Y19	S17-Y19 VanDerWaalsContact O-CD1 3.25Å; S17-Y19 WeakPolarHBondContact O-CD1 3.41Å; S17-Y19 PolarHBondContact O-N 2.86Å
18	G	87.1	Confident	93.5	Very high	90 Å²	90	49.7 Å²	49.7	93%	0.928	31%	0.311	S	S	*	.	S	Bend	trans	77.1	12	174.1	0	0	0	0	0	116.1
19	Y	85.4	Confident	93.6	Very high	58 Å²	58	48.1 Å²	48.1	23%	0.227	30%	0.298	C	S	.	.	S	Bend	trans	-156.9	167.8	172.8	67.3	-83	0	0	0	111.8	A16 S17 F21 M26 R90	A16-Y19 HydrophobicContact CB-CE1 3.73Å; A16-Y19 HydrophobicContact CB-CE2 4.38Å; A16-Y19 VanDerWaalsContact CB-OH 3.25Å; A16-Y19 WeakPolarHBondContact CB-OH 3.48Å; S17-Y19 VanDerWaalsContact O-CD1 3.25Å; S17-Y19 WeakPolarHBondContact O-CD1 3.41Å; S17-Y19 PolarHBondContact O-N 2.86Å; Y19-F21 PolarHBondContact O-N 3.05Å; Y19-M26 VanDerWaalsContact OH-CE 3.29Å; Y19-M26 WeakPolarHBondContact OH-CE 3.18Å; Y19-R90 HydrophobicContact CE2-CG 4.17Å
20	A	90	Very high	93.6	Very high	59 Å²	59	45 Å²	45	49%	0.488	28%	0.275	S	S	.	.			trans	-71.4	96.7	173.3	0	0	0	0	0	110.6	S22 S23	A20-S22 VanDerWaalsContact C-N 3.26Å; A20-S22 PolarHBondContact O-N 2.86Å; A20-S23 VanDerWaalsContact CB-OG 3.31Å; A20-S23 WeakPolarHBondContact CB-OG 3.33Å; A20-S23 PolarHBondContact O-N 3.11Å; A20-S23 VanDerWaalsContact O-N 3.12Å; A20-S23 PolarHBondContact O-OG 3.17Å; A20-S23 VanDerWaalsContact O-OG 3.08Å
21	F	91.6	Very high	93.6	Very high	7 Å²	7	48.2 Å²	48.2	3%	0.031	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-57.3	-36.9	-177	175.5	-111.6	0	0	0	113.4	A16 Y19 S23 M26 P45 A64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.15Å; A16-F21 HydrophobicContact CB-CD2 3.38Å; A16-F21 HydrophobicContact CB-CE2 4.08Å; A16-F21 HydrophobicContact CB-CG 4.05Å; Y19-F21 PolarHBondContact O-N 3.05Å; F21-S23 PolarHBondContact O-N 3.23Å; F21-M26 HydrophobicContact CD2-CE 4.34Å; F21-M26 HydrophobicContact CE2-CE 3.87Å; F21-P45 HydrophobicContact CD1-CB 3.78Å; F21-P45 HydrophobicContact CD1-CG 4.02Å; F21-P45 HydrophobicContact CD2-CG 4.08Å; F21-P45 HydrophobicContact CE1-CB 3.43Å; F21-P45 VanDerWaalsContact CE1-CB 3.43Å; F21-P45 HydrophobicContact CE1-CG 3.59Å; F21-P45 HydrophobicContact CE2-CB 4.4Å; F21-P45 HydrophobicContact CE2-CG 3.63Å; F21-P45 HydrophobicContact CG-CB 4.44Å; F21-P45 HydrophobicContact CG-CG 4.27Å; F21-P45 HydrophobicContact CZ-CB 3.77Å; F21-P45 HydrophobicContact CZ-CG 3.37Å; F21-P45 WeakPolarHBondContact O-CG 3.39Å; F21-A64 HydrophobicContact CE1-CB 4.08Å; F21-A64 HydrophobicContact CZ-CB 3.99Å; F21-S69 VanDerWaalsContact CD1-CA 3.48Å; F21-A71 HydrophobicContact CE2-CB 4.13Å; F21-A71 HydrophobicContact CZ-CB 3.91Å
22	S	92.5	Very high	93.5	Very high	59 Å²	59	45.9 Å²	45.9	41%	0.413	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-70.7	-10.7	179.8	52.6	0	0	0	0	114.8	A20 G46	A20-S22 VanDerWaalsContact C-N 3.26Å; A20-S22 PolarHBondContact O-N 2.86Å; S22-G46 WeakPolarHBondContact O-CA 3.32Å; S22-G46 PolarHBondContact O-N 3Å; S22-G46 VanDerWaalsContact O-N 3.12Å
23	S	91.4	Very high	93.1	Very high	67 Å²	67	51.2 Å²	51.2	47%	0.469	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-113.4	15.5	-178.8	65.4	0	0	0	0	113.9	A20 F21 Y44	A20-S23 VanDerWaalsContact CB-OG 3.31Å; A20-S23 WeakPolarHBondContact CB-OG 3.33Å; A20-S23 PolarHBondContact O-N 3.11Å; A20-S23 VanDerWaalsContact O-N 3.12Å; A20-S23 PolarHBondContact O-OG 3.17Å; A20-S23 VanDerWaalsContact O-OG 3.08Å; F21-S23 PolarHBondContact O-N 3.23Å; S23-Y44 VanDerWaalsContact C-CE2 3.43Å; S23-Y44 WeakPolarHBondContact CA-OH 3.4Å
24	S	90.9	Very high	92.8	Very high	25 Å²	25	51.9 Å²	51.9	18%	0.175	33%	0.332	C	S	.	.	S	Bend	trans	-138	141.3	-176.7	-62	0	0	0	0	112.1	P45	S24-P45 WeakPolarHBondContact O-CD 3.12Å
25	W	93.7	Very high	92.6	Very high	69 Å²	69	58 Å²	58	26%	0.261	36%	0.357	S	S	.	.			trans	-65.2	140.7	172.1	-71.3	97	0	0	0	111.2	R42 Y44 D49 R90	W25-R42 HydrophobicContact CD2-CG 4.22Å; W25-R42 HydrophobicContact CE3-CB 3.97Å; W25-R42 HydrophobicContact CE3-CG 3.43Å; W25-R42 VanDerWaalsContact CE3-CG 3.43Å; W25-R42 HydrophobicContact CZ3-CG 3.74Å; W25-Y44 AromaticContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CG 4.34Å; W25-Y44 AromaticContact CE2-CD2 3.86Å; W25-Y44 HydrophobicContact CG-CD2 4.06Å; W25-Y44 HydrophobicContact CZ2-CD2 4.4Å; W25-Y44 HydrophobicContact CZ2-CG 4.25Å; W25-Y44 VanDerWaalsContact CZ3-CB 3.49Å; W25-Y44 AromaticContact NE1-CD2 3.87Å; W25-D49 HydrophobicContact CH2-CB 3.97Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.33Å; W25-D49 WeakPolarHBondContact CZ3-O 3.22Å; W25-R90 WeakPolarHBondContact O-CA 3.38Å; W25-R90 VanDerWaalsContact O-O 3.08Å
26	M	95.6	Very high	92.4	Very high	4 Å²	4	53 Å²	53	2%	0.02	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	114.6	167.7	-175.1	66.3	73.8	0	0	109	A16 Y19 F21 R42 I43 A71 C88	A16-M26 HydrophobicContact CB-CE 4.32Å; Y19-M26 VanDerWaalsContact OH-CE 3.29Å; Y19-M26 WeakPolarHBondContact OH-CE 3.18Å; F21-M26 HydrophobicContact CD2-CE 4.34Å; F21-M26 HydrophobicContact CE2-CE 3.87Å; M26-R42 CarbonylContact O-C 3.48Å; M26-R42 WeakPolarHBondContact O-CA 3.38Å; M26-R42 WeakPolarHBondContact O-CB 3.38Å; M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 2.93Å; M26-I43 PolarHBondContact O-N 3.22Å; M26-A71 HydrophobicContact CB-CB 4.15Å; M26-A71 HydrophobicContact CE-CB 4.49Å; M26-A71 HydrophobicContact CG-CB 3.67Å; M26-C88 HydrophobicContact CG-CB 4.41Å; M26-C88 HydrophobicContact SD-CB 3.76Å
27	N	96.6	Very high	92.5	Very high	11 Å²	11	57.1 Å²	57.1	6%	0.059	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	149.4	177.6	-59.1	-90.4	0	0	0	110.4	W39 G41 R42 C88 A89 R90 L92	N27-W39 PolarHBondContact OD1-NE1 3.45Å; N27-W39 VanDerWaalsContact OD1-NE1 3.15Å; N27-G41 CarbonylContact C-O 3.5Å; N27-G41 WeakPolarHBondContact CA-O 3.36Å; N27-R42 HydrophobicContact CB-CB 4.46Å; N27-R42 WeakPolarHBondContact OD1-CB 3.03Å; N27-C88 CarbonylContact O-C 3.5Å; N27-C88 WeakPolarHBondContact O-CA 3.34Å; N27-A89 WeakPolarHBondContact CA-O 3Å; N27-A89 HydrophobicContact CB-CB 4.48Å; N27-A89 VanDerWaalsContact CB-O 3.27Å; N27-A89 WeakPolarHBondContact CB-O 3.08Å; N27-A89 PolarHBondContact N-O 2.86Å; N27-A89 PolarHBondContact ND2-O 3.37Å; N27-A89 PolarHBondContact O-N 3.07Å; N27-R90 PolarHBondContact ND2-O 2.91Å; N27-R90 VanDerWaalsContact ND2-O 3.15Å; N27-L92 HydrophobicContact CB-CD1 3.77Å; N27-L92 HydrophobicContact CB-CG 4.17Å
28	W	97.5	Very high	92.7	Very high	2 Å²	2	54 Å²	54	1%	0.008	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.9	172.5	-69.7	91	0	0	0	110	I12 C14 I40 G41 L62 A71 M73 F87 C88	I12-W28 HydrophobicContact CB-CH2 4.35Å; I12-W28 HydrophobicContact CB-CZ3 4.14Å; I12-W28 HydrophobicContact CG2-CH2 4.07Å; I12-W28 HydrophobicContact CG2-CZ3 3.72Å; I12-W28 WeakPolarHBondContact O-CH2 3.42Å; C14-W28 HydrophobicContact CB-CH2 3.74Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.24Å; W28-I40 PolarHBondContact O-N 2.81Å; W28-G41 PolarHBondContact N-O 2.81Å; W28-L62 VanDerWaalsContact CD1-CD2 3.46Å; W28-L62 HydrophobicContact CG-CD2 3.97Å; W28-A71 HydrophobicContact CZ2-CB 4.17Å; W28-M73 HydrophobicContact CB-SD 3.97Å; W28-M73 HydrophobicContact CD2-CB 3.6Å; W28-M73 HydrophobicContact CD2-CG 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.14Å; W28-M73 HydrophobicContact CE3-CB 3.8Å; W28-M73 HydrophobicContact CE3-CE 3.91Å; W28-M73 HydrophobicContact CE3-SD 4.08Å; W28-M73 HydrophobicContact CG-CB 4.13Å; W28-M73 HydrophobicContact CG-SD 4.12Å; W28-M73 HydrophobicContact CH2-CB 4.05Å; W28-M73 HydrophobicContact CZ2-CB 3.88Å; W28-M73 HydrophobicContact CZ3-CB 4.02Å; W28-M73 HydrophobicContact CZ3-CE 4.33Å; W28-F87 WeakPolarHBondContact CA-O 3Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.29Å; W28-C88 HydrophobicContact CH2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.25Å
29	V	96.8	Very high	93.1	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.012	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	135.3	-172.7	-176.1	0	0	0	0	109.5	L37 E38 Y86 F87 L92 W97	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.94Å; V29-L37 HydrophobicContact CG1-CG 4.36Å; V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.19Å; V29-Y86 CarbonylContact O-C 3.55Å; V29-Y86 WeakPolarHBondContact O-CA 3.37Å; V29-F87 HydrophobicContact CB-CB 4.48Å; V29-F87 PolarHBondContact N-O 2.89Å; V29-F87 PolarHBondContact O-N 2.82Å; V29-L92 HydrophobicContact CG2-CD1 4.17Å; V29-L92 HydrophobicContact CG2-CD2 4.42Å; V29-W97 HydrophobicContact CB-CH2 4.33Å; V29-W97 HydrophobicContact CB-CZ3 3.92Å; V29-W97 HydrophobicContact CG1-CH2 4.26Å; V29-W97 HydrophobicContact CG1-CZ3 4.15Å; V29-W97 HydrophobicContact CG2-CH2 3.93Å; V29-W97 HydrophobicContact CG2-CZ3 3.84Å
30	K	96.3	Very high	93.7	Very high	3 Å²	3	50.1 Å²	50.1	1%	0.013	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	135.8	174.3	-177.6	176.7	-179.5	175.5	0	109.4	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 3.39Å; K30-E38 PolarHBondContact O-N 2.66Å; K30-I40 HydrophobicContact CB-CD1 3.98Å; K30-I40 HydrophobicContact CB-CG1 4.13Å; K30-F56 HydrophobicContact CB-CZ 4.44Å; K30-F56 HydrophobicContact CD-CE1 3.88Å; K30-F56 HydrophobicContact CD-CZ 4.04Å; K30-E81 PolarHBondContact NZ-O 2.82Å; K30-D82 IonicContact NZ-OD1 3.28Å; K30-D82 PolarHBondContact NZ-OD1 3.43Å; K30-A84 HydrophobicContact CD-CB 4.23Å; K30-A84 HydrophobicContact CG-CB 3.56Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.87Å; K30-Y86 HydrophobicContact CD-CE1 3.88Å; K30-Y86 WeakPolarHBondContact CE-OH 2.99Å; K30-Y86 HydrophobicContact CG-CD1 4.29Å; K30-Y86 HydrophobicContact CG-CE1 3.72Å
31	Q	96.1	Very high	94	Very high	72 Å²	72	47.3 Å²	47.3	34%	0.336	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	116.9	170.2	-167.2	-178.2	33.5	0	0	110	L37 A84 V85 F87	Q31-L37 HydrophobicContact CB-CD2 3.85Å; Q31-L37 HydrophobicContact CG-CD2 3.9Å; Q31-A84 WeakPolarHBondContact O-CA 3.37Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 3.04Å; Q31-V85 PolarHBondContact N-O 3.01Å; Q31-V85 PolarHBondContact O-N 3.12Å; Q31-F87 HydrophobicContact CB-CD2 4.34Å; Q31-F87 HydrophobicContact CB-CE2 3.76Å
32	R	93.9	Very high	94.3	Very high	69 Å²	69	51.3 Å²	51.3	26%	0.26	29%	0.294	S	S	.	.			trans	-88.7	148.5	172.1	-66.3	173.9	171.8	146.6	-18.3	110.1	G34 K35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.95Å; R32-K35 HydrophobicContact CB-CB 3.96Å; R32-K35 HydrophobicContact CB-CG 3.95Å; R32-K35 PolarHBondContact O-N 2.94Å; R32-E38 IonicContact CZ-OE1 2.95Å; R32-E38 IonicContact NH1-OE1 3.95Å; R32-E38 PolarHBondContact NH1-OE1 3.28Å; R32-E81 PolarHBondContact NE-O 3.17Å; R32-E81 VanDerWaalsContact NE-O 3.13Å; R32-E81 PolarHBondContact NH2-O 2.83Å; R32-E81 IonicContact NH2-OE2 3.78Å; R32-A84 HydrophobicContact CG-CB 4.19Å
33	P	89.1	Confident	94.5	Very high	119 Å²	119	48.7 Å²	48.7	77%	0.773	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	127.6	173.3	-25.3	34.3	0	0	0	111.4	K35	P33-K35 PolarHBondContact O-N 3.09Å
34	G	90.1	Very high	94.8	Very high	88 Å²	88	48.3 Å²	48.3	91%	0.907	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	10.6	-179.5	0	0	0	0	0	115.6	R32	R32-G34 PolarHBondContact O-N 2.95Å
35	K	91.8	Very high	95	Very high	141 Å²	141	47.3 Å²	47.3	61%	0.613	26%	0.256	S	S	*	.	S	Bend	trans	-119.7	161.8	175.2	-58.1	-66.2	-176.7	-177.9	0	111.2	R32 P33	R32-K35 HydrophobicContact CB-CB 3.96Å; R32-K35 HydrophobicContact CB-CG 3.95Å; R32-K35 PolarHBondContact O-N 2.94Å; P33-K35 PolarHBondContact O-N 3.09Å
36	G	91.4	Very high	95	Very high	56 Å²	56	45.2 Å²	45.2	58%	0.577	26%	0.257	S	S	*	.			trans	-68.3	174.3	173.9	0	0	0	0	0	113.2
37	L	93.8	Very high	95	Very high	96 Å²	96	50.6 Å²	50.6	50%	0.503	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	128.3	173.4	-64.3	173.7	0	0	0	110.2	V29 Q31 W97	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.94Å; V29-L37 HydrophobicContact CG1-CG 4.36Å; Q31-L37 HydrophobicContact CB-CD2 3.85Å; Q31-L37 HydrophobicContact CG-CD2 3.9Å; L37-W97 HydrophobicContact CD1-CH2 3.84Å; L37-W97 HydrophobicContact CD1-CZ2 4.32Å
38	E	95.4	Very high	94.9	Very high	38 Å²	38	52 Å²	52	18%	0.178	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	111.6	175.5	-62.9	-171.4	-121.3	0	0	109.2	V29 K30 R32 I40 F56	V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.19Å; K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 3.39Å; K30-E38 PolarHBondContact O-N 2.66Å; R32-E38 IonicContact CZ-OE1 2.95Å; R32-E38 IonicContact NH1-OE1 3.95Å; R32-E38 PolarHBondContact NH1-OE1 3.28Å; E38-I40 PolarHBondContact O-N 2.89Å; E38-F56 HydrophobicContact CB-CE2 4.41Å; E38-F56 HydrophobicContact CB-CZ 4.3Å
39	W	96	Very high	94.9	Very high	66 Å²	66	56 Å²	56	25%	0.25	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	127.8	175.9	-177.8	78.8	0	0	0	110.7	N27 G41 R42 N51 N53 L92	N27-W39 PolarHBondContact OD1-NE1 3.45Å; N27-W39 VanDerWaalsContact OD1-NE1 3.15Å; W39-G41 VanDerWaalsContact CZ2-CA 3.4Å; W39-G41 PolarHBondContact NE1-O 2.91Å; W39-R42 HydrophobicContact CZ2-CB 4Å; W39-R42 HydrophobicContact CZ2-CG 3.83Å; W39-N51 HydrophobicContact CH2-CB 4.41Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.2Å; W39-N53 HydrophobicContact CE3-CB 3.77Å; W39-N53 HydrophobicContact CZ3-CB 3.99Å; W39-N53 WeakPolarHBondContact O-CB 3.27Å; W39-N53 PolarHBondContact O-ND2 2.7Å; W39-L92 VanDerWaalsContact CD1-CD1 3.47Å
40	I	97.2	Very high	94.9	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-48.1	-177.1	-59.9	174.7	0	0	0	110.1	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.24Å; W28-I40 PolarHBondContact O-N 2.81Å; K30-I40 HydrophobicContact CB-CD1 3.98Å; K30-I40 HydrophobicContact CB-CG1 4.13Å; E38-I40 PolarHBondContact O-N 2.89Å; I40-N53 WeakPolarHBondContact O-CB 3.46Å; I40-N53 PolarHBondContact O-N 2.91Å; I40-F56 HydrophobicContact CB-CD2 4.29Å; I40-F56 HydrophobicContact CB-CG 4.2Å; I40-F56 HydrophobicContact CG1-CD1 4.13Å; I40-F56 HydrophobicContact CG1-CD2 4.27Å; I40-F56 HydrophobicContact CG1-CE1 4.08Å; I40-F56 HydrophobicContact CG1-CE2 4.21Å; I40-F56 HydrophobicContact CG1-CG 4.22Å; I40-F56 HydrophobicContact CG1-CZ 4.12Å; I40-F56 HydrophobicContact CG2-CB 3.71Å; I40-F56 HydrophobicContact CG2-CD1 4.08Å; I40-F56 HydrophobicContact CG2-CD2 4.36Å; I40-F56 HydrophobicContact CG2-CG 3.8Å; I40-A60 HydrophobicContact CG2-CB 3.71Å; I40-M73 HydrophobicContact CD1-CE 4.13Å; I40-M73 HydrophobicContact CD1-SD 3.53Å; I40-M73 VanDerWaalsContact CD1-SD 3.53Å; I40-M73 HydrophobicContact CG2-SD 4.04Å; I40-Y86 HydrophobicContact CD1-CD1 3.72Å; I40-Y86 HydrophobicContact CD1-CE1 3.86Å
41	G	97.2	Very high	94.9	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.5	-178.8	-173	0	0	0	0	0	111.7	N27 W28 W39 N51	N27-G41 CarbonylContact C-O 3.5Å; N27-G41 WeakPolarHBondContact CA-O 3.36Å; W28-G41 PolarHBondContact N-O 2.81Å; W39-G41 VanDerWaalsContact CZ2-CA 3.4Å; W39-G41 PolarHBondContact NE1-O 2.91Å; G41-N51 CarbonylContact C-O 3.54Å; G41-N51 WeakPolarHBondContact CA-O 3.27Å
42	R	96.9	Very high	95	Very high	90 Å²	90	61 Å²	61	34%	0.34	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	155.2	174.6	67.6	-177	-174.4	-170.5	-0.4	111.5	W25 M26 N27 W39 T50 N51	W25-R42 HydrophobicContact CD2-CG 4.22Å; W25-R42 HydrophobicContact CE3-CB 3.97Å; W25-R42 HydrophobicContact CE3-CG 3.43Å; W25-R42 VanDerWaalsContact CE3-CG 3.43Å; W25-R42 HydrophobicContact CZ3-CG 3.74Å; M26-R42 CarbonylContact O-C 3.48Å; M26-R42 WeakPolarHBondContact O-CA 3.38Å; M26-R42 WeakPolarHBondContact O-CB 3.38Å; N27-R42 HydrophobicContact CB-CB 4.46Å; N27-R42 WeakPolarHBondContact OD1-CB 3.03Å; W39-R42 HydrophobicContact CZ2-CB 4Å; W39-R42 HydrophobicContact CZ2-CG 3.83Å; R42-T50 WeakPolarHBondContact O-CA 3.18Å; R42-N51 HydrophobicContact CG-CB 4.17Å; R42-N51 PolarHBondContact N-O 3.35Å; R42-N51 PolarHBondContact O-N 2.69Å
43	I	97.4	Very high	95.1	Very high	4 Å²	4	60 Å²	60	2%	0.021	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.7	173.4	-176.7	165.6	0	0	0	109.9	M26 P45 D49 T50 L62 T63 A64 A71	M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 2.93Å; M26-I43 PolarHBondContact O-N 3.22Å; I43-P45 WeakPolarHBondContact O-CD 3.46Å; I43-D49 CarbonylContact C-O 3.6Å; I43-D49 VanDerWaalsContact CA-O 3.31Å; I43-D49 WeakPolarHBondContact CA-O 3.45Å; I43-T50 HydrophobicContact CB-CG2 3.98Å; I43-T50 HydrophobicContact CD1-CG2 3.98Å; I43-T50 HydrophobicContact CG1-CG2 3.82Å; I43-L62 HydrophobicContact CB-CB 4.08Å; I43-L62 HydrophobicContact CB-CD1 4.46Å; I43-L62 HydrophobicContact CD1-CB 4.39Å; I43-L62 HydrophobicContact CG2-CB 4.4Å; I43-T63 VanDerWaalsContact CD1-C 3.48Å; I43-A64 HydrophobicContact CD1-CB 3.9Å; I43-A71 HydrophobicContact CG2-CB 4.48Å
44	Y	96.3	Very high	95.3	Very high	60 Å²	60	57.3 Å²	57.3	24%	0.235	35%	0.345	C	S	.	.			trans	-98	107.7	168.3	-168.7	-111.8	0	0	0	108.4	S23 W25 G46 D47 G48 D49	S23-Y44 VanDerWaalsContact C-CE2 3.43Å; S23-Y44 WeakPolarHBondContact CA-OH 3.4Å; W25-Y44 AromaticContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CG 4.34Å; W25-Y44 AromaticContact CE2-CD2 3.86Å; W25-Y44 HydrophobicContact CG-CD2 4.06Å; W25-Y44 HydrophobicContact CZ2-CD2 4.4Å; W25-Y44 HydrophobicContact CZ2-CG 4.25Å; W25-Y44 VanDerWaalsContact CZ3-CB 3.49Å; W25-Y44 AromaticContact NE1-CD2 3.87Å; Y44-G46 PolarHBondContact O-N 3.01Å; Y44-G46 VanDerWaalsContact O-N 3.08Å; Y44-D47 WeakPolarHBondContact CD1-OD1 2.99Å; Y44-G48 VanDerWaalsContact O-CA 3.29Å; Y44-G48 WeakPolarHBondContact O-CA 3.33Å; Y44-G48 PolarHBondContact O-N 3.26Å; Y44-D49 PolarHBondContact N-O 3.37Å
45	P	95.7	Very high	95.4	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.019	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.6	-175.1	-22.3	35.3	0	0	0	113.9	F21 S24 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.78Å; F21-P45 HydrophobicContact CD1-CG 4.02Å; F21-P45 HydrophobicContact CD2-CG 4.08Å; F21-P45 HydrophobicContact CE1-CB 3.43Å; F21-P45 VanDerWaalsContact CE1-CB 3.43Å; F21-P45 HydrophobicContact CE1-CG 3.59Å; F21-P45 HydrophobicContact CE2-CB 4.4Å; F21-P45 HydrophobicContact CE2-CG 3.63Å; F21-P45 HydrophobicContact CG-CB 4.44Å; F21-P45 HydrophobicContact CG-CG 4.27Å; F21-P45 HydrophobicContact CZ-CB 3.77Å; F21-P45 HydrophobicContact CZ-CG 3.37Å; F21-P45 WeakPolarHBondContact O-CG 3.39Å; S24-P45 WeakPolarHBondContact O-CD 3.12Å; I43-P45 WeakPolarHBondContact O-CD 3.46Å; P45-A64 HydrophobicContact CB-CB 3.77Å; P45-A64 HydrophobicContact CG-CB 4.06Å; P45-K66 VanDerWaalsContact O-CD 3.31Å; P45-K66 WeakPolarHBondContact O-CD 3.36Å; P45-K66 WeakPolarHBondContact O-CE 3.41Å; P45-K66 WeakPolarHBondContact O-CG 3.01Å
46	G	94.5	Very high	95.5	Very high	26 Å²	26	54.6 Å²	54.6	27%	0.268	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-45.3	-179.2	0	0	0	0	0	113.6	S22 Y44 K66	S22-G46 WeakPolarHBondContact O-CA 3.32Å; S22-G46 PolarHBondContact O-N 3Å; S22-G46 VanDerWaalsContact O-N 3.12Å; Y44-G46 PolarHBondContact O-N 3.01Å; Y44-G46 VanDerWaalsContact O-N 3.08Å; G46-K66 PolarHBondContact O-NZ 3.27Å
47	D	95.1	Very high	95.5	Very high	116 Å²	116	59.7 Å²	59.7	62%	0.62	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.6	-8.6	-178.6	55.2	19.4	0	0	0	113.2	Y44 D49	Y44-D47 WeakPolarHBondContact CD1-OD1 2.99Å; D47-D49 VanDerWaalsContact OD1-CB 3.28Å; D47-D49 WeakPolarHBondContact OD1-CB 3.42Å; D47-D49 PolarHBondContact OD1-N 2.92Å
48	G	95.1	Very high	95.4	Very high	41 Å²	41	58.4 Å²	58.4	42%	0.423	32%	0.324	S	S	.	.			trans	84.4	10.9	-177.7	0	0	0	0	0	113.8	Y44	Y44-G48 VanDerWaalsContact O-CA 3.29Å; Y44-G48 WeakPolarHBondContact O-CA 3.33Å; Y44-G48 PolarHBondContact O-N 3.26Å
49	D	96.6	Very high	95.4	Very high	87 Å²	87	58.6 Å²	58.6	47%	0.465	33%	0.325	S	S	.	.			trans	-60.1	139.9	176.6	-172.6	24.8	0	0	0	110.8	W25 I43 Y44 D47	W25-D49 HydrophobicContact CH2-CB 3.97Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.33Å; W25-D49 WeakPolarHBondContact CZ3-O 3.22Å; I43-D49 CarbonylContact C-O 3.6Å; I43-D49 VanDerWaalsContact CA-O 3.31Å; I43-D49 WeakPolarHBondContact CA-O 3.45Å; Y44-D49 PolarHBondContact N-O 3.37Å; D47-D49 VanDerWaalsContact OD1-CB 3.28Å; D47-D49 WeakPolarHBondContact OD1-CB 3.42Å; D47-D49 PolarHBondContact OD1-N 2.92Å
50	T	97.5	Very high	95.4	Very high	48 Å²	48	55.7 Å²	55.7	29%	0.294	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	139.5	-176.4	54.8	0	0	0	0	111.5	R42 I43 Y52 L62	R42-T50 WeakPolarHBondContact O-CA 3.18Å; I43-T50 HydrophobicContact CB-CG2 3.98Å; I43-T50 HydrophobicContact CD1-CG2 3.98Å; I43-T50 HydrophobicContact CG1-CG2 3.82Å; T50-Y52 HydrophobicContact CG2-CE2 4.47Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.48Å; T50-L62 HydrophobicContact CG2-CB 4.12Å
51	N	96.5	Very high	95.5	Very high	76 Å²	76	58.9 Å²	58.9	41%	0.406	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.5	171.2	-176.1	-132	0	0	0	109.8	W39 G41 R42	W39-N51 HydrophobicContact CH2-CB 4.41Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.2Å; G41-N51 CarbonylContact C-O 3.54Å; G41-N51 WeakPolarHBondContact CA-O 3.27Å; R42-N51 HydrophobicContact CG-CB 4.17Å; R42-N51 PolarHBondContact N-O 3.35Å; R42-N51 PolarHBondContact O-N 2.69Å
52	Y	97.1	Very high	95.5	Very high	57 Å²	57	59.3 Å²	59.3	22%	0.224	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	148.1	-173.4	-66.7	-90.8	0	0	0	110.6	T50 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.47Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.48Å; Y52-A60 HydrophobicContact CE1-CB 4.44Å; Y52-A60 VanDerWaalsContact CE1-O 3.22Å; Y52-A60 WeakPolarHBondContact CE1-O 3.47Å; Y52-L62 HydrophobicContact CE1-CD1 4.03Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 2.79Å
53	N	95.9	Very high	95.5	Very high	49 Å²	49	58 Å²	58	26%	0.262	34%	0.338	S	S	.	.			trans	-70.8	134.6	157.9	-178.3	-21.8	0	0	0	108.9	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.77Å; W39-N53 HydrophobicContact CZ3-CB 3.99Å; W39-N53 WeakPolarHBondContact O-CB 3.27Å; W39-N53 PolarHBondContact O-ND2 2.7Å; I40-N53 WeakPolarHBondContact O-CB 3.46Å; I40-N53 PolarHBondContact O-N 2.91Å; N53-K55 PolarHBondContact O-N 3.02Å; N53-K55 VanDerWaalsContact O-N 3.07Å; N53-K55 PolarHBondContact OD1-N 3.37Å; N53-K55 VanDerWaalsContact OD1-N 3.17Å; N53-F56 HydrophobicContact CB-CD2 4.03Å; N53-F56 PolarHBondContact O-N 2.99Å; N53-K57 PolarHBondContact O-N 3.22Å
54	G	94.1	Very high	95.5	Very high	62 Å²	62	59.4 Å²	59.4	64%	0.639	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-52	-34	-178.6	0	0	0	0	0	113.8	F56 K57	G54-F56 PolarHBondContact O-N 2.97Å; G54-K57 PolarHBondContact O-N 2.83Å
55	K	92	Very high	95.5	Very high	158 Å²	158	59.3 Å²	59.3	69%	0.687	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-62.1	-27.5	177.5	-66.6	-175	-179.4	-179	0	114.3	N53	N53-K55 PolarHBondContact O-N 3.02Å; N53-K55 VanDerWaalsContact O-N 3.07Å; N53-K55 PolarHBondContact OD1-N 3.37Å; N53-K55 VanDerWaalsContact OD1-N 3.17Å
56	F	94.1	Very high	95.4	Very high	13 Å²	13	64.8 Å²	64.8	6%	0.057	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-109.4	-2.3	-175.1	-62.1	-85.6	0	0	0	112.7	K30 E38 I40 N53 G54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.44Å; K30-F56 HydrophobicContact CD-CE1 3.88Å; K30-F56 HydrophobicContact CD-CZ 4.04Å; E38-F56 HydrophobicContact CB-CE2 4.41Å; E38-F56 HydrophobicContact CB-CZ 4.3Å; I40-F56 HydrophobicContact CB-CD2 4.29Å; I40-F56 HydrophobicContact CB-CG 4.2Å; I40-F56 HydrophobicContact CG1-CD1 4.13Å; I40-F56 HydrophobicContact CG1-CD2 4.27Å; I40-F56 HydrophobicContact CG1-CE1 4.08Å; I40-F56 HydrophobicContact CG1-CE2 4.21Å; I40-F56 HydrophobicContact CG1-CG 4.22Å; I40-F56 HydrophobicContact CG1-CZ 4.12Å; I40-F56 HydrophobicContact CG2-CB 3.71Å; I40-F56 HydrophobicContact CG2-CD1 4.08Å; I40-F56 HydrophobicContact CG2-CD2 4.36Å; I40-F56 HydrophobicContact CG2-CG 3.8Å; N53-F56 HydrophobicContact CB-CD2 4.03Å; N53-F56 PolarHBondContact O-N 2.99Å; G54-F56 PolarHBondContact O-N 2.97Å; F56-G58 PolarHBondContact O-N 2.82Å; F56-K59 PolarHBondContact O-N 2.9Å; F56-A60 HydrophobicContact CB-CB 4.44Å; F56-A60 PolarHBondContact O-N 3.43Å
57	K	91.8	Very high	95.3	Very high	164 Å²	164	68.8 Å²	68.8	71%	0.713	40%	0.402	S	S	*	.	B	Isolated β-bridge	trans	-62.5	124.1	176	-166.7	173.3	-177.1	178.8	0	109	N53 G54 K59	N53-K57 PolarHBondContact O-N 3.22Å; G54-K57 PolarHBondContact O-N 2.83Å; K57-K59 VanDerWaalsContact C-N 3.25Å; K57-K59 PolarHBondContact O-N 3.15Å
58	G	91.4	Very high	95.4	Very high	69 Å²	69	65 Å²	65	71%	0.711	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	-18.1	-175.1	0	0	0	0	0	114.9	F56	F56-G58 PolarHBondContact O-N 2.82Å
59	K	94.6	Very high	95.4	Very high	42 Å²	42	64.9 Å²	64.9	18%	0.183	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-39.7	173.5	-174.8	69.7	177.4	-163.2	0	112.2	F56 K57 L75 S76 S77 D82	F56-K59 PolarHBondContact O-N 2.9Å; K57-K59 VanDerWaalsContact C-N 3.25Å; K57-K59 PolarHBondContact O-N 3.15Å; K59-L75 HydrophobicContact CG-CD2 4.49Å; K59-L75 WeakPolarHBondContact O-CA 3.41Å; K59-S76 VanDerWaalsContact CD-O 3.24Å; K59-S76 WeakPolarHBondContact CD-O 3.18Å; K59-S76 WeakPolarHBondContact CE-O 3.42Å; K59-S76 PolarHBondContact NZ-O 3.04Å; K59-S76 PolarHBondContact O-N 2.02Å; K59-S76 VanDerWaalsContact O-N 3.1Å; K59-S76 PolarHBondContact O-OG 3.15Å; K59-S77 PolarHBondContact NZ-O 2.76Å; K59-D82 WeakPolarHBondContact CE-OD2 3.27Å; K59-D82 IonicContact NZ-OD2 2.69Å; K59-D82 PolarHBondContact NZ-OD2 3.08Å
60	A	96.9	Very high	95.4	Very high	4 Å²	4	61.2 Å²	61.2	3%	0.033	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	137.4	-179.4	0	0	0	0	0	110.8	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.71Å; Y52-A60 HydrophobicContact CE1-CB 4.44Å; Y52-A60 VanDerWaalsContact CE1-O 3.22Å; Y52-A60 WeakPolarHBondContact CE1-O 3.47Å; F56-A60 HydrophobicContact CB-CB 4.44Å; F56-A60 PolarHBondContact O-N 3.43Å; A60-M73 HydrophobicContact CB-CG 4.29Å; A60-M73 HydrophobicContact CB-SD 4.43Å; A60-Q74 CarbonylContact C-O 3.55Å; A60-Q74 WeakPolarHBondContact CA-O 3.44Å; A60-L75 HydrophobicContact CB-CD2 3.88Å
61	T	97.9	Very high	95.4	Very high	68 Å²	68	59 Å²	59	42%	0.417	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.6	169.4	-58.8	0	0	0	0	108.8	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.41Å; T61-M73 WeakPolarHBondContact O-CA 3.25Å; T61-Q74 PolarHBondContact N-O 2.88Å; T61-Q74 PolarHBondContact O-N 2.99Å
62	L	98.1	Very high	95.5	Very high	9 Å²	9	57.7 Å²	57.7	5%	0.047	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132.5	178.7	-52.4	-176	0	0	0	110.4	W28 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.46Å; W28-L62 HydrophobicContact CG-CD2 3.97Å; I43-L62 HydrophobicContact CB-CB 4.08Å; I43-L62 HydrophobicContact CB-CD1 4.46Å; I43-L62 HydrophobicContact CD1-CB 4.39Å; I43-L62 HydrophobicContact CG2-CB 4.4Å; T50-L62 HydrophobicContact CG2-CB 4.12Å; Y52-L62 HydrophobicContact CE1-CD1 4.03Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 2.79Å; L62-Y72 WeakPolarHBondContact CA-O 3.24Å; L62-M73 HydrophobicContact CD2-CB 3.72Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.37Å
63	T	97.8	Very high	95.5	Very high	61 Å²	61	55 Å²	55	37%	0.374	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	162.2	174.6	54.2	0	0	0	0	110.1	I43 T61 A71 Y72	I43-T63 VanDerWaalsContact CD1-C 3.48Å; T61-T63 HydrophobicContact CG2-CG2 4.41Å; T63-A71 CarbonylContact O-C 3.36Å; T63-Y72 PolarHBondContact N-O 3.36Å; T63-Y72 PolarHBondContact O-N 2.86Å
64	A	97.3	Very high	95.6	Very high	35 Å²	35	56.8 Å²	56.8	29%	0.289	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	141.9	177.2	0	0	0	0	0	110.7	F21 I43 P45 T70	F21-A64 HydrophobicContact CE1-CB 4.08Å; F21-A64 HydrophobicContact CZ-CB 3.99Å; I43-A64 HydrophobicContact CD1-CB 3.9Å; P45-A64 HydrophobicContact CB-CB 3.77Å; P45-A64 HydrophobicContact CG-CB 4.06Å; A64-T70 WeakPolarHBondContact CA-O 3.31Å
65	D	96	Very high	95.7	Very high	57 Å²	57	53.9 Å²	53.9	31%	0.305	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	111.6	170.6	173.4	10.4	0	0	0	108.7	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 2.98Å; D65-S67 PolarHBondContact OD1-N 2.81Å; D65-S67 PolarHBondContact OD1-OG 2.81Å; D65-S67 PolarHBondContact OD2-OG 2.81Å; D65-S68 WeakPolarHBondContact CB-OG 3.19Å; D65-S68 WeakPolarHBondContact OD2-CB 3.48Å; D65-S68 PolarHBondContact OD2-OG 2.78Å; D65-S69 WeakPolarHBondContact O-CA 3.49Å; D65-S69 PolarHBondContact O-N 2.96Å; D65-S69 VanDerWaalsContact O-N 3.11Å; D65-T70 PolarHBondContact N-O 2.87Å; D65-T70 PolarHBondContact O-N 2.85Å; D65-Y72 HydrophobicContact CB-CE2 3.99Å
66	K	93.9	Very high	95.9	Very high	118 Å²	118	47.9 Å²	47.9	51%	0.513	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-34.3	-177.8	-52.4	-175.8	-147.4	-171.7	0	111.4	P45 G46 S68 S69	P45-K66 VanDerWaalsContact O-CD 3.31Å; P45-K66 WeakPolarHBondContact O-CD 3.36Å; P45-K66 WeakPolarHBondContact O-CE 3.41Å; P45-K66 WeakPolarHBondContact O-CG 3.01Å; G46-K66 PolarHBondContact O-NZ 3.27Å; K66-S68 PolarHBondContact O-N 2.88Å; K66-S69 PolarHBondContact O-N 3Å
67	S	92.8	Very high	95.9	Very high	110 Å²	110	51 Å²	51	77%	0.769	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-40.7	-176	71.5	0	0	0	0	111.7	D65	D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 2.98Å; D65-S67 PolarHBondContact OD1-N 2.81Å; D65-S67 PolarHBondContact OD1-OG 2.81Å; D65-S67 PolarHBondContact OD2-OG 2.81Å
68	S	95.4	Very high	96.1	Very high	37 Å²	37	43.3 Å²	43.3	26%	0.259	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	1.6	177.4	64.6	0	0	0	0	113.8	D65 K66 T70	D65-S68 WeakPolarHBondContact CB-OG 3.19Å; D65-S68 WeakPolarHBondContact OD2-CB 3.48Å; D65-S68 PolarHBondContact OD2-OG 2.78Å; K66-S68 PolarHBondContact O-N 2.88Å; S68-T70 PolarHBondContact O-N 3.1Å; S68-T70 PolarHBondContact O-OG1 2.93Å; S68-T70 WeakPolarHBondContact OG-CB 3.45Å; S68-T70 PolarHBondContact OG-OG1 3.27Å
69	S	95.8	Very high	96.2	Very high	39 Å²	39	43 Å²	43	27%	0.273	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	41.5	-172.9	-64	0	0	0	0	112.9	A16 F21 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.35Å; A16-S69 PolarHBondContact N-O 3.13Å; F21-S69 VanDerWaalsContact CD1-CA 3.48Å; D65-S69 WeakPolarHBondContact O-CA 3.49Å; D65-S69 PolarHBondContact O-N 2.96Å; D65-S69 VanDerWaalsContact O-N 3.11Å; K66-S69 PolarHBondContact O-N 3Å
70	T	97.1	Very high	96.1	Very high	10 Å²	10	44.5 Å²	44.5	6%	0.061	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.7	-172.9	-57.6	0	0	0	0	110.9	C14 A64 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.5Å; C14-T70 WeakPolarHBondContact O-CA 3.27Å; A64-T70 WeakPolarHBondContact CA-O 3.31Å; D65-T70 PolarHBondContact N-O 2.87Å; D65-T70 PolarHBondContact O-N 2.85Å; S68-T70 PolarHBondContact O-N 3.1Å; S68-T70 PolarHBondContact O-OG1 2.93Å; S68-T70 WeakPolarHBondContact OG-CB 3.45Å; S68-T70 PolarHBondContact OG-OG1 3.27Å; T70-Y72 HydrophobicContact CG2-CD1 4.2Å; T70-Y72 HydrophobicContact CG2-CD2 4.47Å; T70-Y72 HydrophobicContact CG2-CE1 3.57Å; T70-Y72 HydrophobicContact CG2-CE2 3.86Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.41Å; T70-Y72 WeakPolarHBondContact O-CE2 3.46Å
71	A	97.3	Very high	95.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	151	168.4	0	0	0	0	0	110.1	S13 C14 F21 M26 W28 I43 T63	S13-A71 CarbonylContact C-O 3.6Å; S13-A71 WeakPolarHBondContact CA-O 3.26Å; C14-A71 PolarHBondContact N-O 2.8Å; C14-A71 PolarHBondContact O-N 2.95Å; F21-A71 HydrophobicContact CE2-CB 4.13Å; F21-A71 HydrophobicContact CZ-CB 3.91Å; M26-A71 HydrophobicContact CB-CB 4.15Å; M26-A71 HydrophobicContact CE-CB 4.49Å; M26-A71 HydrophobicContact CG-CB 3.67Å; W28-A71 HydrophobicContact CZ2-CB 4.17Å; I43-A71 HydrophobicContact CG2-CB 4.48Å; T63-A71 CarbonylContact O-C 3.36Å
72	Y	97.8	Very high	95.7	Very high	50 Å²	50	47.8 Å²	47.8	20%	0.196	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	143.1	177.6	-53.9	-86.3	0	0	0	110.9	K11 I12 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.27Å; K11-Y72 VanDerWaalsContact CE-CB 3.45Å; K11-Y72 HydrophobicContact CG-CD1 4.24Å; I12-Y72 CarbonylContact O-C 3.54Å; I12-Y72 VanDerWaalsContact O-CA 3.24Å; I12-Y72 WeakPolarHBondContact O-CA 3.42Å; L62-Y72 WeakPolarHBondContact CA-O 3.24Å; T63-Y72 PolarHBondContact N-O 3.36Å; T63-Y72 PolarHBondContact O-N 2.86Å; D65-Y72 HydrophobicContact CB-CE2 3.99Å; T70-Y72 HydrophobicContact CG2-CD1 4.2Å; T70-Y72 HydrophobicContact CG2-CD2 4.47Å; T70-Y72 HydrophobicContact CG2-CE1 3.57Å; T70-Y72 HydrophobicContact CG2-CE2 3.86Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.41Å; T70-Y72 WeakPolarHBondContact O-CE2 3.46Å
73	M	97.9	Very high	95.6	Very high	0 Å²	0	49 Å²	49	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.6	166.5	177.4	-176.4	67.9	0	0	108.5	I12 W28 I40 A60 T61 L62 L75 Y86	I12-M73 HydrophobicContact CB-CE 4.5Å; I12-M73 HydrophobicContact CD1-CE 3.79Å; I12-M73 HydrophobicContact CG1-CE 4.45Å; I12-M73 PolarHBondContact N-O 3.3Å; I12-M73 PolarHBondContact O-N 3.18Å; W28-M73 HydrophobicContact CB-SD 3.97Å; W28-M73 HydrophobicContact CD2-CB 3.6Å; W28-M73 HydrophobicContact CD2-CG 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.14Å; W28-M73 HydrophobicContact CE3-CB 3.8Å; W28-M73 HydrophobicContact CE3-CE 3.91Å; W28-M73 HydrophobicContact CE3-SD 4.08Å; W28-M73 HydrophobicContact CG-CB 4.13Å; W28-M73 HydrophobicContact CG-SD 4.12Å; W28-M73 HydrophobicContact CH2-CB 4.05Å; W28-M73 HydrophobicContact CZ2-CB 3.88Å; W28-M73 HydrophobicContact CZ3-CB 4.02Å; W28-M73 HydrophobicContact CZ3-CE 4.33Å; I40-M73 HydrophobicContact CD1-CE 4.13Å; I40-M73 HydrophobicContact CD1-SD 3.53Å; I40-M73 VanDerWaalsContact CD1-SD 3.53Å; I40-M73 HydrophobicContact CG2-SD 4.04Å; A60-M73 HydrophobicContact CB-CG 4.29Å; A60-M73 HydrophobicContact CB-SD 4.43Å; T61-M73 WeakPolarHBondContact O-CA 3.25Å; L62-M73 HydrophobicContact CD2-CB 3.72Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.37Å; M73-L75 HydrophobicContact CE-CD1 3.81Å; M73-L75 HydrophobicContact CE-CD2 4.22Å; M73-L75 HydrophobicContact CE-CG 3.92Å; M73-L75 HydrophobicContact CG-CD2 4.38Å; M73-L75 HydrophobicContact CG-CG 4.39Å; M73-L75 HydrophobicContact SD-CD2 4.07Å; M73-L75 HydrophobicContact SD-CG 4.33Å; M73-Y86 HydrophobicContact CE-CD1 3.56Å; M73-Y86 HydrophobicContact CE-CE1 4.16Å; M73-Y86 HydrophobicContact CE-CG 4.05Å
74	Q	97.6	Very high	95.5	Very high	87 Å²	87	46.4 Å²	46.4	41%	0.407	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	122.9	170.4	-176.4	172.6	-6.6	0	0	109.3	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.57Å; V10-Q74 VanDerWaalsContact O-CA 3.25Å; V10-Q74 WeakPolarHBondContact O-CA 3.46Å; A60-Q74 CarbonylContact C-O 3.55Å; A60-Q74 WeakPolarHBondContact CA-O 3.44Å; T61-Q74 PolarHBondContact N-O 2.88Å; T61-Q74 PolarHBondContact O-N 2.99Å
75	L	96.6	Very high	95.5	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.9	171.2	-62.9	167.3	0	0	0	108.6	S9 V10 I12 K59 A60 M73 L78 Y86 L103	S9-L75 CarbonylContact C-O 3.47Å; S9-L75 WeakPolarHBondContact CA-O 3.28Å; S9-L75 WeakPolarHBondContact CB-O 3.41Å; V10-L75 HydrophobicContact CG1-CB 3.98Å; V10-L75 HydrophobicContact CG1-CD1 4.27Å; V10-L75 PolarHBondContact N-O 2.85Å; V10-L75 PolarHBondContact O-N 3.26Å; I12-L75 HydrophobicContact CD1-CD1 4.44Å; K59-L75 HydrophobicContact CG-CD2 4.49Å; K59-L75 WeakPolarHBondContact O-CA 3.41Å; A60-L75 HydrophobicContact CB-CD2 3.88Å; M73-L75 HydrophobicContact CE-CD1 3.81Å; M73-L75 HydrophobicContact CE-CD2 4.22Å; M73-L75 HydrophobicContact CE-CG 3.92Å; M73-L75 HydrophobicContact CG-CD2 4.38Å; M73-L75 HydrophobicContact CG-CG 4.39Å; M73-L75 HydrophobicContact SD-CD2 4.07Å; M73-L75 HydrophobicContact SD-CG 4.33Å; L75-L78 HydrophobicContact CB-CD2 3.7Å; L75-L78 HydrophobicContact CD1-CD2 4.28Å; L75-Y86 HydrophobicContact CD1-CD1 4.22Å; L75-Y86 HydrophobicContact CD1-CE1 3.61Å; L75-Y86 HydrophobicContact CD1-CE2 4.13Å; L75-L103 HydrophobicContact CD1-CD2 4.13Å
76	S	95.4	Very high	95.6	Very high	31 Å²	31	44 Å²	44	22%	0.217	26%	0.256	C	S	.	.			trans	-110.5	159.1	-178.8	47.1	0	0	0	0	112.3	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.25Å; K59-S76 VanDerWaalsContact CD-O 3.24Å; K59-S76 WeakPolarHBondContact CD-O 3.18Å; K59-S76 WeakPolarHBondContact CE-O 3.42Å; K59-S76 PolarHBondContact NZ-O 3.04Å; K59-S76 PolarHBondContact O-N 2.02Å; K59-S76 VanDerWaalsContact O-N 3.1Å; K59-S76 PolarHBondContact O-OG 3.15Å; S76-L78 VanDerWaalsContact C-N 3.31Å; S76-L78 PolarHBondContact O-N 2.83Å
77	S	94.8	Very high	95.7	Very high	80 Å²	80	39.9 Å²	39.9	56%	0.559	24%	0.238	S	C	*	.	S	Bend	trans	49.9	48.6	173.9	-54.3	0	0	0	0	113	A8 K59	A8-S77 PolarHBondContact O-N 3.12Å; K59-S77 PolarHBondContact NZ-O 2.76Å
78	L	95.1	Very high	95.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	21%	0.206	C	C	.	.			trans	-59.6	142.7	-170.8	-70.6	172.5	0	0	0	112.9	V4 P6 G7 A8 V10 L75 S76 D82 L103 V105	V4-L78 HydrophobicContact CG2-CD1 3.56Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.4Å; G7-L78 PolarHBondContact N-O 2.91Å; A8-L78 WeakPolarHBondContact O-CB 3.31Å; A8-L78 VanDerWaalsContact O-CG 3.27Å; A8-L78 WeakPolarHBondContact O-CG 3.29Å; A8-L78 PolarHBondContact O-N 2.85Å; V10-L78 HydrophobicContact CB-CD1 4.06Å; V10-L78 HydrophobicContact CG1-CD1 3.74Å; V10-L78 HydrophobicContact CG1-CD2 4.45Å; L75-L78 HydrophobicContact CB-CD2 3.7Å; L75-L78 HydrophobicContact CD1-CD2 4.28Å; S76-L78 VanDerWaalsContact C-N 3.31Å; S76-L78 PolarHBondContact O-N 2.83Å; L78-D82 WeakPolarHBondContact CA-OD2 3.46Å; L78-D82 HydrophobicContact CD2-CB 3.69Å; L78-L103 HydrophobicContact CD1-CD2 4.19Å; L78-L103 HydrophobicContact CD2-CD2 4.08Å; L78-V105 HydrophobicContact CB-CG1 4.31Å; L78-V105 HydrophobicContact CB-CG2 4.03Å; L78-V105 HydrophobicContact CD1-CG2 4.36Å
79	T	94.6	Very high	95.8	Very high	63 Å²	63	33.6 Å²	33.6	39%	0.387	19%	0.194	S	C	.	.			trans	-121.9	168.8	173.2	67.4	0	0	0	0	110.3	E81 D82 V105	T79-E81 PolarHBondContact O-N 2.91Å; T79-E81 VanDerWaalsContact O-N 3.11Å; T79-D82 PolarHBondContact N-OD2 3.12Å; T79-D82 WeakPolarHBondContact O-CB 3.5Å; T79-D82 PolarHBondContact O-N 2.85Å; T79-V105 WeakPolarHBondContact O-CB 3.25Å; T79-V105 WeakPolarHBondContact O-CG2 3.47Å
80	S	92.8	Very high	95.5	Very high	74 Å²	74	34 Å²	34	52%	0.517	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-53.1	-32.5	175.6	54	0	0	0	0	112.7	D82 S83	S80-D82 PolarHBondContact O-N 2.89Å; S80-S83 VanDerWaalsContact O-CB 3.27Å; S80-S83 WeakPolarHBondContact O-CB 3.43Å; S80-S83 PolarHBondContact O-N 3.26Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 3.28Å
81	E	91.5	Very high	94.7	Very high	130 Å²	130	38.1 Å²	38.1	61%	0.607	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-67.8	-13.2	176.8	-60	-170.4	-179.7	0	0	114.9	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.82Å; R32-E81 PolarHBondContact NE-O 3.17Å; R32-E81 VanDerWaalsContact NE-O 3.13Å; R32-E81 PolarHBondContact NH2-O 2.83Å; R32-E81 IonicContact NH2-OE2 3.78Å; T79-E81 PolarHBondContact O-N 2.91Å; T79-E81 VanDerWaalsContact O-N 3.11Å; E81-S83 VanDerWaalsContact C-N 3.3Å
82	D	94.3	Very high	93.7	Very high	11 Å²	11	41.4 Å²	41.4	6%	0.059	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-83.8	-6	173.5	-64.4	-46.3	0	0	0	113.2	K30 K59 L78 T79 S80 A84 Y86 V105	K30-D82 IonicContact NZ-OD1 3.28Å; K30-D82 PolarHBondContact NZ-OD1 3.43Å; K59-D82 WeakPolarHBondContact CE-OD2 3.27Å; K59-D82 IonicContact NZ-OD2 2.69Å; K59-D82 PolarHBondContact NZ-OD2 3.08Å; L78-D82 WeakPolarHBondContact CA-OD2 3.46Å; L78-D82 HydrophobicContact CD2-CB 3.69Å; T79-D82 PolarHBondContact N-OD2 3.12Å; T79-D82 WeakPolarHBondContact O-CB 3.5Å; T79-D82 PolarHBondContact O-N 2.85Å; S80-D82 PolarHBondContact O-N 2.89Å; D82-A84 PolarHBondContact O-N 2.86Å; D82-A84 VanDerWaalsContact O-N 3.17Å; D82-Y86 WeakPolarHBondContact O-CE2 3.4Å; D82-Y86 PolarHBondContact O-OH 2.84Å; D82-V105 HydrophobicContact CB-CG2 4.22Å
83	S	95.8	Very high	91.9	Very high	35 Å²	35	44.2 Å²	44.2	25%	0.245	25%	0.25	C	C	.	.			trans	-64.3	114.6	172	-56.9	0	0	0	0	110.5	S80 E81 L103 V105	S80-S83 VanDerWaalsContact O-CB 3.27Å; S80-S83 WeakPolarHBondContact O-CB 3.43Å; S80-S83 PolarHBondContact O-N 3.26Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 3.28Å; E81-S83 VanDerWaalsContact C-N 3.3Å; S83-L103 CarbonylContact C-O 3.57Å; S83-L103 VanDerWaalsContact CA-O 3.26Å; S83-L103 WeakPolarHBondContact CA-O 3.48Å; S83-V105 PolarHBondContact OG-N 2.84Å
84	A	96.6	Very high	90.5	Very high	6 Å²	6	56 Å²	56	5%	0.05	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	172	-172.2	0	0	0	0	0	110.8	K30 Q31 R32 D82 Y86 L103	K30-A84 HydrophobicContact CD-CB 4.23Å; K30-A84 HydrophobicContact CG-CB 3.56Å; Q31-A84 WeakPolarHBondContact O-CA 3.37Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 3.04Å; R32-A84 HydrophobicContact CG-CB 4.19Å; D82-A84 PolarHBondContact O-N 2.86Å; D82-A84 VanDerWaalsContact O-N 3.17Å; A84-Y86 HydrophobicContact CB-CD2 4.4Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; A84-L103 PolarHBondContact N-O 3.28Å; A84-L103 PolarHBondContact O-N 2.79Å
85	V	97.3	Very high	89.7	Confident	38 Å²	38	52.8 Å²	52.8	23%	0.23	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	129.4	161.6	-170	0	0	0	0	108.5	Q31 F87	Q31-V85 PolarHBondContact N-O 3.01Å; Q31-V85 PolarHBondContact O-N 3.12Å; V85-F87 HydrophobicContact CB-CE2 3.75Å; V85-F87 HydrophobicContact CB-CZ 3.93Å; V85-F87 HydrophobicContact CG1-CD2 4.23Å; V85-F87 HydrophobicContact CG1-CE1 3.87Å; V85-F87 HydrophobicContact CG1-CE2 3.52Å; V85-F87 HydrophobicContact CG1-CZ 3.32Å
86	Y	97.4	Very high	89.3	Confident	3 Å²	3	60.3 Å²	60.3	1%	0.012	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.2	178.8	-68.3	-88.9	0	0	0	110	I12 V29 K30 I40 M73 L75 D82 A84 G100 T101 L103	I12-Y86 HydrophobicContact CD1-CD2 3.91Å; I12-Y86 HydrophobicContact CD1-CG 3.82Å; V29-Y86 CarbonylContact O-C 3.55Å; V29-Y86 WeakPolarHBondContact O-CA 3.37Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.87Å; K30-Y86 HydrophobicContact CD-CE1 3.88Å; K30-Y86 WeakPolarHBondContact CE-OH 2.99Å; K30-Y86 HydrophobicContact CG-CD1 4.29Å; K30-Y86 HydrophobicContact CG-CE1 3.72Å; I40-Y86 HydrophobicContact CD1-CD1 3.72Å; I40-Y86 HydrophobicContact CD1-CE1 3.86Å; M73-Y86 HydrophobicContact CE-CD1 3.56Å; M73-Y86 HydrophobicContact CE-CE1 4.16Å; M73-Y86 HydrophobicContact CE-CG 4.05Å; L75-Y86 HydrophobicContact CD1-CD1 4.22Å; L75-Y86 HydrophobicContact CD1-CE1 3.61Å; L75-Y86 HydrophobicContact CD1-CE2 4.13Å; D82-Y86 WeakPolarHBondContact O-CE2 3.4Å; D82-Y86 PolarHBondContact O-OH 2.84Å; A84-Y86 HydrophobicContact CB-CD2 4.4Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; Y86-G100 CarbonylContact O-C 3.54Å; Y86-G100 VanDerWaalsContact O-CA 3.27Å; Y86-G100 WeakPolarHBondContact O-CA 2.99Å; Y86-T101 PolarHBondContact N-O 2.95Å; Y86-T101 PolarHBondContact O-N 3.08Å; Y86-L103 HydrophobicContact CD2-CB 3.91Å; Y86-L103 HydrophobicContact CD2-CD2 4.35Å; Y86-L103 HydrophobicContact CE2-CB 3.77Å; Y86-L103 HydrophobicContact CE2-CD2 3.68Å; Y86-L103 HydrophobicContact CE2-CG 4.34Å
87	F	96.6	Very high	89.2	Confident	31 Å²	31	63.2 Å²	63.2	14%	0.136	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	148.3	-178.6	-59.2	-88.2	0	0	0	110.6	W28 V29 Q31 V85 W97	W28-F87 WeakPolarHBondContact CA-O 3Å; V29-F87 HydrophobicContact CB-CB 4.48Å; V29-F87 PolarHBondContact N-O 2.89Å; V29-F87 PolarHBondContact O-N 2.82Å; Q31-F87 HydrophobicContact CB-CD2 4.34Å; Q31-F87 HydrophobicContact CB-CE2 3.76Å; V85-F87 HydrophobicContact CB-CE2 3.75Å; V85-F87 HydrophobicContact CB-CZ 3.93Å; V85-F87 HydrophobicContact CG1-CD2 4.23Å; V85-F87 HydrophobicContact CG1-CE1 3.87Å; V85-F87 HydrophobicContact CG1-CE2 3.52Å; V85-F87 HydrophobicContact CG1-CZ 3.32Å; F87-W97 HydrophobicContact CB-CE3 3.76Å; F87-W97 HydrophobicContact CB-CZ3 3.9Å; F87-W97 HydrophobicContact CG-CE3 4.24Å; F87-W97 HydrophobicContact CG-CZ3 4.42Å
88	C	95.8	Very high	89.1	Confident	14 Å²	14	60.7 Å²	60.7	10%	0.095	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	149.1	160.7	60.5	0	0	0	0	109.9	C14 M26 N27 W28 G98	C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.49Å; C14-C88 WeakPolarHBondContact SG-CB 3.02Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.77Å; M26-C88 HydrophobicContact CG-CB 4.41Å; M26-C88 HydrophobicContact SD-CB 3.76Å; N27-C88 CarbonylContact O-C 3.5Å; N27-C88 WeakPolarHBondContact O-CA 3.34Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.29Å; W28-C88 HydrophobicContact CH2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.25Å; C88-G98 PolarHBondContact O-N 3.11Å
89	A	94.8	Very high	89	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.008	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	139.8	177.9	0	0	0	0	0	112.5	N27 L92 Y96 W97	N27-A89 WeakPolarHBondContact CA-O 3Å; N27-A89 HydrophobicContact CB-CB 4.48Å; N27-A89 VanDerWaalsContact CB-O 3.27Å; N27-A89 WeakPolarHBondContact CB-O 3.08Å; N27-A89 PolarHBondContact N-O 2.86Å; N27-A89 PolarHBondContact ND2-O 3.37Å; N27-A89 PolarHBondContact O-N 3.07Å; A89-L92 HydrophobicContact CB-CD2 3.73Å; A89-L92 HydrophobicContact CB-CG 4.4Å; A89-Y96 CarbonylContact C-O 3.58Å; A89-Y96 WeakPolarHBondContact CA-O 3.48Å; A89-W97 HydrophobicContact CB-CD2 3.77Å; A89-W97 HydrophobicContact CB-CE3 3.82Å; A89-W97 HydrophobicContact CB-CG 4.24Å; A89-W97 HydrophobicContact CB-CH2 4.49Å; A89-W97 HydrophobicContact CB-CZ2 4.47Å; A89-W97 HydrophobicContact CB-CZ3 4.19Å
90	R	89.3	Confident	89	Confident	49 Å²	49	68 Å²	68	19%	0.185	34%	0.344	C	S	.	.	S	Bend	trans	-76.3	-48.4	178.7	-168.3	-178.2	79.3	-167.1	6.2	112.3	Y19 W25 N27 Y96	Y19-R90 HydrophobicContact CE2-CG 4.17Å; W25-R90 WeakPolarHBondContact O-CA 3.38Å; W25-R90 VanDerWaalsContact O-O 3.08Å; N27-R90 PolarHBondContact ND2-O 2.91Å; N27-R90 VanDerWaalsContact ND2-O 3.15Å; R90-Y96 PolarHBondContact N-O 3Å; R90-Y96 VanDerWaalsContact NH2-CE2 3.31Å
91	E	79.4	Confident	89.2	Confident	96 Å²	96	66.8 Å²	66.8	45%	0.449	33%	0.334	S	S	.	.	S	Bend	trans	-130.2	131.5	-176.8	-73	158.5	-137.4	0	0	108.5	G95	E91-G95 WeakPolarHBondContact O-CA 3.29Å; E91-G95 PolarHBondContact O-N 3.24Å
92	L	76.1	Confident	89.4	Confident	69 Å²	69	63.5 Å²	63.5	36%	0.361	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	145.8	177.1	-68.2	177.9	0	0	0	109.8	N27 V29 W39 A89 W97	N27-L92 HydrophobicContact CB-CD1 3.77Å; N27-L92 HydrophobicContact CB-CG 4.17Å; V29-L92 HydrophobicContact CG2-CD1 4.17Å; V29-L92 HydrophobicContact CG2-CD2 4.42Å; W39-L92 VanDerWaalsContact CD1-CD1 3.47Å; A89-L92 HydrophobicContact CB-CD2 3.73Å; A89-L92 HydrophobicContact CB-CG 4.4Å; L92-W97 HydrophobicContact CD2-CH2 3.33Å; L92-W97 HydrophobicContact CD2-CZ2 3.12Å; L92-W97 HydrophobicContact CD2-CZ3 4.22Å
93	P	60.6	Low	89.5	Confident	109 Å²	109	63 Å²	63	71%	0.708	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	cis	-93.5	-16.8	1.2	33.6	-32.5	0	0	0	115	W97	P93-W97 PolarHBondContact O-NE1 3.05Å
94	R	68.9	Low	89.5	Confident	248 Å²	248	64.2 Å²	64.2	94%	0.936	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	13.4	-173.3	-70	-174.4	177.2	157.3	-0.7	114.9
95	G	79.8	Confident	89.3	Confident	19 Å²	19	64.2 Å²	64.2	20%	0.196	33%	0.325	C	S	.	.	S	Bend	trans	-82.7	-160.6	-178.1	0	0	0	0	0	114.1	E91	E91-G95 WeakPolarHBondContact O-CA 3.29Å; E91-G95 PolarHBondContact O-N 3.24Å
96	Y	88.8	Confident	88.9	Confident	159 Å²	159	64.6 Å²	64.6	62%	0.624	33%	0.329	S	S	*	.			trans	-80.1	127.2	-178.6	-60	-87.6	0	0	0	111.3	A89 R90	A89-Y96 CarbonylContact C-O 3.58Å; A89-Y96 WeakPolarHBondContact CA-O 3.48Å; R90-Y96 PolarHBondContact N-O 3Å; R90-Y96 VanDerWaalsContact NH2-CE2 3.31Å
97	W	92.9	Very high	87.9	Confident	91 Å²	91	72.1 Å²	72.1	35%	0.345	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-112.4	143.2	179	-67.1	81.2	0	0	0	111	V29 L37 F87 A89 L92 P93	V29-W97 HydrophobicContact CB-CH2 4.33Å; V29-W97 HydrophobicContact CB-CZ3 3.92Å; V29-W97 HydrophobicContact CG1-CH2 4.26Å; V29-W97 HydrophobicContact CG1-CZ3 4.15Å; V29-W97 HydrophobicContact CG2-CH2 3.93Å; V29-W97 HydrophobicContact CG2-CZ3 3.84Å; L37-W97 HydrophobicContact CD1-CH2 3.84Å; L37-W97 HydrophobicContact CD1-CZ2 4.32Å; F87-W97 HydrophobicContact CB-CE3 3.76Å; F87-W97 HydrophobicContact CB-CZ3 3.9Å; F87-W97 HydrophobicContact CG-CE3 4.24Å; F87-W97 HydrophobicContact CG-CZ3 4.42Å; A89-W97 HydrophobicContact CB-CD2 3.77Å; A89-W97 HydrophobicContact CB-CE3 3.82Å; A89-W97 HydrophobicContact CB-CG 4.24Å; A89-W97 HydrophobicContact CB-CH2 4.49Å; A89-W97 HydrophobicContact CB-CZ2 4.47Å; A89-W97 HydrophobicContact CB-CZ3 4.19Å; L92-W97 HydrophobicContact CD2-CH2 3.33Å; L92-W97 HydrophobicContact CD2-CZ2 3.12Å; L92-W97 HydrophobicContact CD2-CZ3 4.22Å; P93-W97 PolarHBondContact O-NE1 3.05Å
98	G	92.9	Very high	87.5	Confident	28 Å²	28	74.2 Å²	74.2	29%	0.289	40%	0.395	S	S	.	.			trans	-71.3	163.6	164.5	0	0	0	0	0	111.5	C88 G100	C88-G98 PolarHBondContact O-N 3.11Å; G98-G100 PolarHBondContact O-N 3.26Å; G98-G100 VanDerWaalsContact O-N 3.12Å
99	Q	93.1	Very high	87.1	Confident	189 Å²	189	77.4 Å²	77.4	88%	0.883	41%	0.411	S	S	*	.			trans	-63	-18.2	179.2	-65.3	-63.5	-33.3	0	0	113.7
100	G	94.4	Very high	86.6	Confident	28 Å²	28	81.6 Å²	81.6	29%	0.289	43%	0.433	S	S	.	.			trans	86.4	151.2	-177.7	0	0	0	0	0	113	Y86 G98	Y86-G100 CarbonylContact O-C 3.54Å; Y86-G100 VanDerWaalsContact O-CA 3.27Å; Y86-G100 WeakPolarHBondContact O-CA 2.99Å; G98-G100 PolarHBondContact O-N 3.26Å; G98-G100 VanDerWaalsContact O-N 3.12Å
101	T	96.3	Very high	86.5	Confident	49 Å²	49	83.5 Å²	83.5	30%	0.301	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	114.5	178.1	-62	0	0	0	0	108.8	I12 Y86 L103	I12-T101 HydrophobicContact CG2-CG2 4.3Å; Y86-T101 PolarHBondContact N-O 2.95Å; Y86-T101 PolarHBondContact O-N 3.08Å; T101-L103 PolarHBondContact O-N 3.4Å
102	T	96.6	Very high	86.9	Confident	60 Å²	60	82.8 Å²	82.8	37%	0.368	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	122.4	172.3	-47.3	0	0	0	0	110.1	P1 Q2	P1-T102 CarbonylContact C-O 3.52Å; P1-T102 WeakPolarHBondContact CA-O 3.31Å; Q2-T102 PolarHBondContact N-O 2.6Å
103	L	95.6	Very high	87.6	Confident	1 Å²	1	83.7 Å²	83.7	1%	0.005	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.9	170.9	179.2	69.3	0	0	0	108.6	Q2 V4 V10 L75 L78 S83 A84 Y86 T101 V105	Q2-L103 HydrophobicContact CB-CD1 4.02Å; Q2-L103 HydrophobicContact CG-CD1 4.3Å; V4-L103 HydrophobicContact CG1-CD1 4.19Å; V4-L103 HydrophobicContact CG2-CD1 3.88Å; V10-L103 HydrophobicContact CB-CD1 4.49Å; V10-L103 HydrophobicContact CG1-CD1 4.16Å; V10-L103 HydrophobicContact CG1-CD2 3.86Å; V10-L103 HydrophobicContact CG2-CD1 4.28Å; L75-L103 HydrophobicContact CD1-CD2 4.13Å; L78-L103 HydrophobicContact CD1-CD2 4.19Å; L78-L103 HydrophobicContact CD2-CD2 4.08Å; S83-L103 CarbonylContact C-O 3.57Å; S83-L103 VanDerWaalsContact CA-O 3.26Å; S83-L103 WeakPolarHBondContact CA-O 3.48Å; A84-L103 PolarHBondContact N-O 3.28Å; A84-L103 PolarHBondContact O-N 2.79Å; Y86-L103 HydrophobicContact CD2-CB 3.91Å; Y86-L103 HydrophobicContact CD2-CD2 4.35Å; Y86-L103 HydrophobicContact CE2-CB 3.77Å; Y86-L103 HydrophobicContact CE2-CD2 3.68Å; Y86-L103 HydrophobicContact CE2-CG 4.34Å; T101-L103 PolarHBondContact O-N 3.4Å; L103-V105 HydrophobicContact CG-CG2 4.49Å
104	T	95.7	Very high	89.6	Confident	61 Å²	61	81.9 Å²	81.9	37%	0.374	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	124.2	175	-56.2	0	0	0	0	108.5	Q2 L3 V4	Q2-T104 PolarHBondContact O-N 2.69Å; L3-T104 WeakPolarHBondContact CA-O 3.46Å; L3-T104 HydrophobicContact CD1-CG2 3.84Å; V4-T104 PolarHBondContact N-O 3.49Å
105	V	93.9	Very high	91.1	Very high	6 Å²	6	69.1 Å²	69.1	4%	0.036	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	113.7	174.7	-171.5	0	0	0	0	107.5	V4 P6 L78 T79 D82 S83 L103	V4-V105 HydrophobicContact CG2-CB 4.29Å; V4-V105 HydrophobicContact CG2-CG1 4.35Å; V4-V105 HydrophobicContact CG2-CG2 3.78Å; V4-V105 CarbonylContact O-C 3.55Å; V4-V105 WeakPolarHBondContact O-CA 3.48Å; P6-V105 HydrophobicContact CG-CG1 4.27Å; L78-V105 HydrophobicContact CB-CG1 4.31Å; L78-V105 HydrophobicContact CB-CG2 4.03Å; L78-V105 HydrophobicContact CD1-CG2 4.36Å; T79-V105 WeakPolarHBondContact O-CB 3.25Å; T79-V105 WeakPolarHBondContact O-CG2 3.47Å; D82-V105 HydrophobicContact CB-CG2 4.22Å; S83-V105 PolarHBondContact OG-N 2.84Å; L103-V105 HydrophobicContact CG-CG2 4.49Å
106	S	89.1	Confident	92.1	Very high	45 Å²	45	73.3 Å²	73.3	32%	0.315	41%	0.413	S	S	.	.			trans	-64.2	142.1	178.2	61.3	0	0	0	0	109.9	V4 P6	V4-S106 PolarHBondContact O-N 2.64Å; V4-S106 PolarHBondContact O-OG 2.94Å; P6-S106 WeakPolarHBondContact CD-O 3.42Å; P6-S106 WeakPolarHBondContact CG-O 3.35Å
107	S	75.9	Confident	92.4	Very high	162 Å²	162	65.5 Å²	65.5	100%	1.133	39%	0.394	S	S	*	.			trans	-70.1	0	170	55	0	0	0	0	112

Retrieved 107 of 107 residues in 21.7 ms (Link to these results)

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