X5J530_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J530, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 107 aa.

						>X5J530_MOUSE|X5J530
PELVKPGASVKISCKASGYAFSSSWMNWVKQRPGKGLEWIGRIYPGDGDTNYNGKFKGKATLTADKSSSTAYMQLSNLTSEDSAVYFCARELPRGYWGQGTTLTVSS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	P	62.8	Low	89	Confident	145 Å²	145	79.7 Å²	79.7	94%	0.942	46%	0.457	S	S	*	.				0	117.8	0	-13.7	30.7	0	0	0	109.6	T102	P1-T102 CarbonylContact C-O 3.55Å; P1-T102 VanDerWaalsContact CA-O 3.22Å; P1-T102 WeakPolarHBondContact CA-O 3.5Å; P1-T102 HydrophobicContact CB-CG2 4.39Å
2	E	78.9	Confident	89.6	Confident	85 Å²	85	73.6 Å²	73.6	40%	0.397	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	120.9	177.9	-162.6	174.7	167	0	0	109	V4 V10 T102 L103 T104	E2-V4 HydrophobicContact CG-CG1 3.91Å; E2-V10 VanDerWaalsContact OE1-CG2 3.26Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.49Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.5Å; E2-T102 PolarHBondContact N-O 2.64Å; E2-L103 HydrophobicContact CB-CD1 4.07Å; E2-T104 PolarHBondContact O-N 3.48Å
3	L	87.9	Confident	90.1	Very high	132 Å²	132	73.5 Å²	73.5	69%	0.691	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	119.3	176.2	-179.1	66	0	0	0	108.6	T104	L3-T104 WeakPolarHBondContact CA-O 3.41Å; L3-T104 HydrophobicContact CD1-CG2 3.94Å
4	V	91.7	Very high	90.5	Very high	17 Å²	17	69.3 Å²	69.3	10%	0.103	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	154	-175.7	-59.1	0	0	0	0	111.4	E2 L78 L103 T104 V105 S106	E2-V4 HydrophobicContact CG-CG1 3.91Å; V4-L78 HydrophobicContact CB-CD1 4.44Å; V4-L78 HydrophobicContact CG2-CD1 3.59Å; V4-L103 HydrophobicContact CG1-CD1 4.05Å; V4-L103 HydrophobicContact CG2-CD1 3.84Å; V4-L103 HydrophobicContact CG2-CG 4.49Å; V4-T104 PolarHBondContact N-O 2.6Å; V4-V105 HydrophobicContact CG2-CB 4.23Å; V4-V105 HydrophobicContact CG2-CG1 4.31Å; V4-V105 HydrophobicContact CG2-CG2 3.74Å; V4-V105 CarbonylContact O-C 3.58Å; V4-V105 WeakPolarHBondContact O-CA 3.45Å; V4-S106 PolarHBondContact O-N 3.27Å; V4-S106 PolarHBondContact O-OG 2.72Å
5	K	91.3	Very high	90.8	Very high	161 Å²	161	75.1 Å²	75.1	70%	0.7	42%	0.423	S	S	*	.			trans	-81.4	153.9	176.2	-63.5	-177.4	-178.2	-178.9	0	110.9	A8	K5-A8 WeakPolarHBondContact O-CB 3.32Å; K5-A8 PolarHBondContact O-N 3.02Å
6	P	93.3	Very high	90.9	Very high	67 Å²	67	71 Å²	71	44%	0.435	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	145.5	169	-25.9	36	0	0	0	111.9	A8 L78 V105 S106	P6-A8 PolarHBondContact O-N 3.24Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.23Å; P6-V105 HydrophobicContact CG-CG1 4.31Å; P6-S106 WeakPolarHBondContact CD-O 3.25Å; P6-S106 WeakPolarHBondContact CG-O 3.35Å
7	G	92.3	Very high	90.8	Very high	46 Å²	46	72.8 Å²	72.8	47%	0.474	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	-12.3	-178.1	0	0	0	0	0	114.7	L78	G7-L78 PolarHBondContact N-O 2.83Å
8	A	93.9	Very high	90.5	Very high	34 Å²	34	73.5 Å²	73.5	28%	0.281	45%	0.446	S	S	.	.			trans	-66.3	165.3	175	0	0	0	0	0	111.8	K5 P6 N77 L78	K5-A8 WeakPolarHBondContact O-CB 3.32Å; K5-A8 PolarHBondContact O-N 3.02Å; P6-A8 PolarHBondContact O-N 3.24Å; A8-N77 PolarHBondContact O-N 3.38Å; A8-L78 WeakPolarHBondContact O-CB 3.27Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.27Å; A8-L78 PolarHBondContact O-N 2.9Å
9	S	95.1	Very high	90.2	Very high	65 Å²	65	72.8 Å²	72.8	46%	0.455	43%	0.434	S	S	.	.			trans	-117.5	143.7	169.3	-56.7	0	0	0	0	109.6	L75 S76	S9-L75 CarbonylContact C-O 3.58Å; S9-L75 WeakPolarHBondContact CA-O 3.22Å; S9-L75 WeakPolarHBondContact CB-O 3.26Å; S9-S76 WeakPolarHBondContact OG-CA 3.43Å
10	V	95.3	Very high	90.2	Very high	5 Å²	5	72.1 Å²	72.1	3%	0.03	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	147.1	178.5	69.3	0	0	0	0	110.4	E2 I12 Q74 L75 L78 L103	E2-V10 VanDerWaalsContact OE1-CG2 3.26Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.49Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.5Å; V10-I12 HydrophobicContact CG1-CG1 4.43Å; V10-Q74 CarbonylContact O-C 3.58Å; V10-Q74 VanDerWaalsContact O-CA 3.27Å; V10-Q74 WeakPolarHBondContact O-CA 3.47Å; V10-L75 HydrophobicContact CG1-CB 4.03Å; V10-L75 HydrophobicContact CG1-CD1 4.28Å; V10-L75 PolarHBondContact N-O 2.02Å; V10-L75 PolarHBondContact O-N 2.76Å; V10-L78 HydrophobicContact CB-CD1 4.08Å; V10-L78 HydrophobicContact CG1-CD1 3.78Å; V10-L78 HydrophobicContact CG1-CD2 4.5Å; V10-L103 HydrophobicContact CB-CD1 4.42Å; V10-L103 HydrophobicContact CG1-CD1 4.09Å; V10-L103 HydrophobicContact CG1-CD2 3.83Å; V10-L103 HydrophobicContact CG2-CD1 4.26Å
11	K	96.4	Very high	90.2	Very high	120 Å²	120	68.9 Å²	68.9	52%	0.522	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	111.3	175.1	-173	176.8	-179.8	-179.6	0	109.7	Y72	K11-Y72 HydrophobicContact CD-CD1 4.31Å; K11-Y72 VanDerWaalsContact CE-CB 3.43Å; K11-Y72 HydrophobicContact CG-CD1 4.29Å
12	I	96.3	Very high	91.6	Very high	6 Å²	6	64.9 Å²	64.9	3%	0.031	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	134.2	177.6	-54.7	-178.6	0	0	0	108.5	V10 W28 Y72 M73 L75 Y86 T101	V10-I12 HydrophobicContact CG1-CG1 4.43Å; I12-W28 HydrophobicContact CB-CH2 4.36Å; I12-W28 HydrophobicContact CB-CZ3 4.15Å; I12-W28 HydrophobicContact CG2-CH2 4.03Å; I12-W28 HydrophobicContact CG2-CZ3 3.69Å; I12-Y72 CarbonylContact O-C 3.54Å; I12-Y72 WeakPolarHBondContact O-CA 3.42Å; I12-M73 HydrophobicContact CB-CE 4.47Å; I12-M73 HydrophobicContact CD1-CE 3.78Å; I12-M73 HydrophobicContact CG1-CE 4.45Å; I12-M73 PolarHBondContact N-O 2.85Å; I12-M73 PolarHBondContact O-N 3Å; I12-L75 HydrophobicContact CD1-CD1 4.38Å; I12-Y86 HydrophobicContact CD1-CD2 3.86Å; I12-Y86 HydrophobicContact CD1-CG 3.78Å; I12-T101 HydrophobicContact CG2-CG2 4.32Å
13	S	96.5	Very high	92.2	Very high	73 Å²	73	63.9 Å²	63.9	51%	0.51	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	149.9	178.7	64.5	0	0	0	0	111.8	A71 Y72	S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.28Å; S13-Y72 VanDerWaalsContact CB-CD1 3.49Å
14	C	95.6	Very high	92.3	Very high	14 Å²	14	58.9 Å²	58.9	10%	0.095	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	108.9	173.1	175.7	0	0	0	0	109.4	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.73Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; C14-T70 WeakPolarHBondContact O-CA 3.3Å; C14-A71 PolarHBondContact N-O 3.29Å; C14-A71 PolarHBondContact O-N 2.8Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.37Å; C14-C88 WeakPolarHBondContact SG-CB 3.49Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.45Å
15	K	94.9	Very high	92.4	Very high	156 Å²	156	61.4 Å²	61.4	68%	0.678	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	120.9	178.3	-172.3	172.1	-176.2	177.4	0	110.1
16	A	92.1	Very high	92.5	Very high	10 Å²	10	53.9 Å²	53.9	8%	0.083	35%	0.346	C	S	.	.			trans	-78.4	147.7	173.7	0	0	0	0	0	111.1	Y19 F21 M26 S69	A16-Y19 HydrophobicContact CB-CE1 3.8Å; A16-Y19 HydrophobicContact CB-CE2 4.26Å; A16-Y19 VanDerWaalsContact CB-OH 3.24Å; A16-Y19 WeakPolarHBondContact CB-OH 3.4Å; A16-F21 HydrophobicContact CB-CB 4.08Å; A16-F21 HydrophobicContact CB-CD2 3.35Å; A16-F21 HydrophobicContact CB-CE2 4.06Å; A16-F21 HydrophobicContact CB-CG 4Å; A16-M26 HydrophobicContact CB-CE 4.28Å; A16-S69 WeakPolarHBondContact CB-O 3.39Å; A16-S69 PolarHBondContact N-O 2.91Å
17	S	89.8	Confident	92.7	Very high	101 Å²	101	51.2 Å²	51.2	71%	0.706	33%	0.328	S	S	*	.			trans	-148.7	151.9	173.3	60.4	0	0	0	0	110.2	Y19	S17-Y19 VanDerWaalsContact O-CD1 3.23Å; S17-Y19 WeakPolarHBondContact O-CD1 3.46Å; S17-Y19 PolarHBondContact O-N 3.06Å
18	G	86.1	Confident	92.9	Very high	86 Å²	86	49.1 Å²	49.1	89%	0.887	31%	0.306	S	S	*	.	S	Bend	trans	77.5	11.4	175.6	0	0	0	0	0	116.1
19	Y	84.1	Confident	93.1	Very high	60 Å²	60	47.7 Å²	47.7	24%	0.235	29%	0.294	C	S	.	.	S	Bend	trans	-157.1	168	173.4	65.8	-84	0	0	0	112	A16 S17 F21 M26 R90	A16-Y19 HydrophobicContact CB-CE1 3.8Å; A16-Y19 HydrophobicContact CB-CE2 4.26Å; A16-Y19 VanDerWaalsContact CB-OH 3.24Å; A16-Y19 WeakPolarHBondContact CB-OH 3.4Å; S17-Y19 VanDerWaalsContact O-CD1 3.23Å; S17-Y19 WeakPolarHBondContact O-CD1 3.46Å; S17-Y19 PolarHBondContact O-N 3.06Å; Y19-F21 PolarHBondContact O-N 2.85Å; Y19-M26 VanDerWaalsContact OH-CE 3.27Å; Y19-M26 WeakPolarHBondContact OH-CE 3.17Å; Y19-R90 HydrophobicContact CE2-CG 4.17Å
20	A	89.1	Confident	93.1	Very high	59 Å²	59	44.7 Å²	44.7	49%	0.488	27%	0.272	S	S	.	.			trans	-71.5	97.6	173.5	0	0	0	0	0	110.6	S22 S23 S24	A20-S22 VanDerWaalsContact C-N 3.28Å; A20-S22 PolarHBondContact O-N 2.97Å; A20-S23 VanDerWaalsContact CB-OG 3.28Å; A20-S23 WeakPolarHBondContact CB-OG 3.3Å; A20-S23 PolarHBondContact O-N 2.82Å; A20-S23 VanDerWaalsContact O-N 3.16Å; A20-S23 PolarHBondContact O-OG 2.89Å; A20-S23 VanDerWaalsContact O-OG 3.1Å; A20-S24 PolarHBondContact O-OG 3.15Å
21	F	90.9	Very high	93.1	Very high	5 Å²	5	48 Å²	48	2%	0.022	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-58.3	-37.8	-177.4	176	-112.7	0	0	0	113.2	A16 Y19 S23 S24 M26 P45 A64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.08Å; A16-F21 HydrophobicContact CB-CD2 3.35Å; A16-F21 HydrophobicContact CB-CE2 4.06Å; A16-F21 HydrophobicContact CB-CG 4Å; Y19-F21 PolarHBondContact O-N 2.85Å; F21-S23 PolarHBondContact O-N 3.24Å; F21-S24 PolarHBondContact O-N 3.09Å; F21-M26 HydrophobicContact CD2-CE 4.31Å; F21-M26 HydrophobicContact CE2-CE 3.85Å; F21-P45 HydrophobicContact CD1-CB 3.82Å; F21-P45 HydrophobicContact CD1-CG 4.05Å; F21-P45 HydrophobicContact CD2-CG 4.06Å; F21-P45 HydrophobicContact CE1-CB 3.48Å; F21-P45 VanDerWaalsContact CE1-CB 3.48Å; F21-P45 HydrophobicContact CE1-CG 3.64Å; F21-P45 HydrophobicContact CE2-CB 4.4Å; F21-P45 HydrophobicContact CE2-CG 3.63Å; F21-P45 HydrophobicContact CG-CB 4.45Å; F21-P45 HydrophobicContact CG-CG 4.28Å; F21-P45 HydrophobicContact CZ-CB 3.8Å; F21-P45 HydrophobicContact CZ-CG 3.4Å; F21-P45 VanDerWaalsContact CZ-CG 3.4Å; F21-P45 WeakPolarHBondContact O-CG 3.34Å; F21-A64 HydrophobicContact CE1-CB 4.04Å; F21-A64 HydrophobicContact CZ-CB 3.94Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; F21-A71 HydrophobicContact CE2-CB 4.1Å; F21-A71 HydrophobicContact CZ-CB 3.9Å
22	S	91.9	Very high	93	Very high	61 Å²	61	45.3 Å²	45.3	43%	0.427	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-69.7	-11.5	-179.9	52.5	0	0	0	0	114.7	A20 G46	A20-S22 VanDerWaalsContact C-N 3.28Å; A20-S22 PolarHBondContact O-N 2.97Å; S22-G46 WeakPolarHBondContact O-CA 3.37Å; S22-G46 PolarHBondContact O-N 3.23Å; S22-G46 VanDerWaalsContact O-N 3.13Å
23	S	91	Very high	92.6	Very high	64 Å²	64	50.7 Å²	50.7	45%	0.448	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-114.2	15.2	-178.9	64.9	0	0	0	0	113.9	A20 F21 Y44	A20-S23 VanDerWaalsContact CB-OG 3.28Å; A20-S23 WeakPolarHBondContact CB-OG 3.3Å; A20-S23 PolarHBondContact O-N 2.82Å; A20-S23 VanDerWaalsContact O-N 3.16Å; A20-S23 PolarHBondContact O-OG 2.89Å; A20-S23 VanDerWaalsContact O-OG 3.1Å; F21-S23 PolarHBondContact O-N 3.24Å; S23-Y44 VanDerWaalsContact C-CE2 3.42Å; S23-Y44 WeakPolarHBondContact CA-OH 3.18Å
24	S	90.4	Very high	92.2	Very high	26 Å²	26	51.4 Å²	51.4	18%	0.182	33%	0.328	C	S	.	.	S	Bend	trans	-135.7	138.4	-175.7	-62.5	0	0	0	0	111.9	A20 F21 P45	A20-S24 PolarHBondContact O-OG 3.15Å; F21-S24 PolarHBondContact O-N 3.09Å; S24-P45 WeakPolarHBondContact O-CD 3.37Å
25	W	93.3	Very high	92	Very high	70 Å²	70	57.7 Å²	57.7	27%	0.265	35%	0.354	S	S	.	.			trans	-64.6	139.9	171.6	-71.7	96.6	0	0	0	111.1	R42 Y44 D49 R90	W25-R42 HydrophobicContact CD2-CG 4.25Å; W25-R42 HydrophobicContact CE3-CB 3.98Å; 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 3.97Å; W25-Y44 HydrophobicContact CD2-CD2 3.97Å; W25-Y44 HydrophobicContact CD2-CG 4.34Å; W25-Y44 AromaticContact CE2-CD2 3.87Å; W25-Y44 HydrophobicContact CG-CD2 4.07Å; W25-Y44 HydrophobicContact CZ2-CD2 4.41Å; W25-Y44 HydrophobicContact CZ2-CG 4.25Å; W25-Y44 VanDerWaalsContact CZ3-CB 3.49Å; W25-Y44 AromaticContact NE1-CD2 3.86Å; W25-D49 HydrophobicContact CH2-CB 4Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.24Å; W25-D49 WeakPolarHBondContact CZ3-O 3.33Å; W25-R90 VanDerWaalsContact O-O 3.12Å
26	M	95.3	Very high	91.8	Very high	4 Å²	4	53 Å²	53	2%	0.02	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	114.3	168.3	-174.6	67	75.2	0	0	108.9	A16 Y19 F21 R42 I43 A71 C88	A16-M26 HydrophobicContact CB-CE 4.28Å; Y19-M26 VanDerWaalsContact OH-CE 3.27Å; Y19-M26 WeakPolarHBondContact OH-CE 3.17Å; F21-M26 HydrophobicContact CD2-CE 4.31Å; F21-M26 HydrophobicContact CE2-CE 3.85Å; M26-R42 CarbonylContact O-C 3.53Å; M26-R42 WeakPolarHBondContact O-CA 3.46Å; M26-R42 WeakPolarHBondContact O-CB 3.27Å; M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 3.4Å; M26-I43 PolarHBondContact O-N 2.93Å; M26-A71 HydrophobicContact CB-CB 4.16Å; M26-A71 HydrophobicContact CE-CB 4.45Å; M26-A71 HydrophobicContact CG-CB 3.69Å; M26-C88 HydrophobicContact CG-CB 4.37Å; M26-C88 HydrophobicContact SD-CB 3.75Å
27	N	96.3	Very high	91.8	Very high	11 Å²	11	57 Å²	57	6%	0.059	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	150	176.9	-59.3	-90.8	0	0	0	110.5	W39 G41 R42 C88 A89 R90 L92	N27-W39 PolarHBondContact OD1-NE1 3.44Å; N27-W39 VanDerWaalsContact OD1-NE1 3.13Å; N27-G41 CarbonylContact C-O 3.51Å; N27-G41 WeakPolarHBondContact CA-O 3.37Å; N27-R42 HydrophobicContact CB-CB 4.44Å; N27-R42 WeakPolarHBondContact OD1-CB 3.48Å; N27-C88 CarbonylContact O-C 3.59Å; N27-C88 WeakPolarHBondContact O-CA 3.35Å; N27-A89 WeakPolarHBondContact CA-O 3.13Å; N27-A89 HydrophobicContact CB-CB 4.47Å; N27-A89 VanDerWaalsContact CB-O 3.27Å; N27-A89 WeakPolarHBondContact CB-O 2.99Å; N27-A89 PolarHBondContact N-O 3.1Å; N27-A89 PolarHBondContact ND2-O 3.46Å; N27-A89 PolarHBondContact O-N 3.08Å; N27-R90 PolarHBondContact ND2-O 2.91Å; N27-R90 VanDerWaalsContact ND2-O 3.17Å; N27-L92 HydrophobicContact CB-CD1 3.82Å; N27-L92 HydrophobicContact CB-CG 4.24Å
28	W	97.3	Very high	92.1	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.008	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135	172.8	-70.2	91.8	0	0	0	109.9	I12 C14 I40 G41 L62 A71 M73 F87 C88	I12-W28 HydrophobicContact CB-CH2 4.36Å; I12-W28 HydrophobicContact CB-CZ3 4.15Å; I12-W28 HydrophobicContact CG2-CH2 4.03Å; I12-W28 HydrophobicContact CG2-CZ3 3.69Å; C14-W28 HydrophobicContact CB-CH2 3.73Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.33Å; W28-I40 WeakPolarHBondContact O-CB 3.04Å; W28-I40 PolarHBondContact O-N 2.89Å; W28-G41 PolarHBondContact N-O 2.81Å; W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 3.98Å; W28-A71 HydrophobicContact CZ2-CB 4.16Å; W28-M73 HydrophobicContact CB-SD 3.98Å; W28-M73 HydrophobicContact CD2-CB 3.63Å; W28-M73 HydrophobicContact CD2-CG 4.42Å; W28-M73 HydrophobicContact CD2-SD 4.14Å; W28-M73 HydrophobicContact CE3-CB 3.82Å; W28-M73 HydrophobicContact CE3-CE 3.92Å; W28-M73 HydrophobicContact CE3-SD 4.08Å; W28-M73 HydrophobicContact CG-CB 4.16Å; W28-M73 HydrophobicContact CG-SD 4.13Å; W28-M73 HydrophobicContact CH2-CB 4.05Å; W28-M73 HydrophobicContact CZ2-CB 3.89Å; W28-M73 HydrophobicContact CZ3-CB 4.03Å; W28-M73 HydrophobicContact CZ3-CE 4.34Å; W28-F87 CarbonylContact C-O 3.57Å; W28-F87 WeakPolarHBondContact CA-O 2.99Å; W28-C88 HydrophobicContact CD2-CB 4.48Å; W28-C88 HydrophobicContact CE3-CB 4.29Å; W28-C88 HydrophobicContact CH2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.25Å
29	V	96.5	Very high	92.5	Very high	3 Å²	3	53 Å²	53	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	135	-172.5	-176.1	0	0	0	0	109.5	L37 E38 Y86 F87 L92 W97	V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.89Å; V29-L37 HydrophobicContact CG1-CG 4.32Å; V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-Y86 CarbonylContact O-C 3.35Å; V29-Y86 WeakPolarHBondContact O-CA 3.01Å; V29-F87 PolarHBondContact N-O 2.8Å; V29-F87 PolarHBondContact O-N 3.06Å; V29-L92 HydrophobicContact CG2-CD1 4.14Å; V29-L92 HydrophobicContact CG2-CD2 4.44Å; V29-W97 HydrophobicContact CB-CH2 4.34Å; V29-W97 HydrophobicContact CB-CZ3 3.93Å; V29-W97 HydrophobicContact CG1-CH2 4.27Å; V29-W97 HydrophobicContact CG1-CZ3 4.17Å; V29-W97 HydrophobicContact CG2-CH2 3.95Å; V29-W97 HydrophobicContact CG2-CZ3 3.85Å
30	K	96.1	Very high	93.2	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.009	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	134.9	173.7	-176.7	176.9	-179.1	175	0	109.5	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 3.4Å; K30-E38 PolarHBondContact O-N 3.14Å; K30-I40 HydrophobicContact CB-CD1 3.99Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; K30-F56 HydrophobicContact CB-CZ 4.43Å; K30-F56 HydrophobicContact CD-CE1 3.91Å; K30-F56 HydrophobicContact CD-CZ 4.03Å; K30-E81 WeakPolarHBondContact CE-O 3.49Å; K30-E81 PolarHBondContact NZ-O 2.85Å; K30-D82 IonicContact NZ-OD1 3.88Å; K30-D82 PolarHBondContact NZ-OD1 2.92Å; K30-A84 HydrophobicContact CD-CB 4.21Å; K30-A84 HydrophobicContact CG-CB 3.55Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.87Å; K30-Y86 HydrophobicContact CD-CE1 3.87Å; K30-Y86 WeakPolarHBondContact CE-OH 3.39Å; K30-Y86 HydrophobicContact CG-CD1 4.27Å; K30-Y86 HydrophobicContact CG-CE1 3.7Å
31	Q	95.7	Very high	93.5	Very high	74 Å²	74	47.4 Å²	47.4	35%	0.346	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	115.6	170.3	-166.7	-178.1	34.1	0	0	109.9	L37 A84 V85 F87	Q31-L37 HydrophobicContact CB-CD2 3.81Å; Q31-L37 HydrophobicContact CG-CD2 3.86Å; Q31-A84 WeakPolarHBondContact O-CA 3.19Å; Q31-A84 VanDerWaalsContact O-CB 3.32Å; Q31-A84 WeakPolarHBondContact O-CB 3.01Å; Q31-V85 PolarHBondContact N-O 3.1Å; Q31-V85 PolarHBondContact O-N 2.78Å; Q31-F87 HydrophobicContact CB-CD2 4.3Å; Q31-F87 HydrophobicContact CB-CE2 3.76Å
32	R	93.3	Very high	93.8	Very high	65 Å²	65	51.5 Å²	51.5	25%	0.245	29%	0.294	C	S	.	.			trans	-88.8	146.3	171.6	-67.6	173.9	173.6	146.3	-19.6	109.9	G34 K35 E38 E81 A84	R32-G34 PolarHBondContact O-N 3.15Å; R32-K35 HydrophobicContact CB-CB 3.95Å; R32-K35 HydrophobicContact CB-CG 3.96Å; R32-K35 PolarHBondContact O-N 3.01Å; R32-E38 IonicContact CZ-OE2 3.23Å; R32-E38 IonicContact NH1-OE2 2.67Å; R32-E38 PolarHBondContact NH1-OE2 2.85Å; R32-E81 PolarHBondContact NE-O 3.04Å; R32-E81 PolarHBondContact NH2-O 2.85Å; R32-E81 IonicContact NH2-OE2 2.91Å; R32-A84 HydrophobicContact CG-CB 4.14Å
33	P	87.8	Confident	94.1	Very high	119 Å²	119	48.8 Å²	48.8	77%	0.773	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	129	173.2	-25.5	34.3	0	0	0	111.4	K35	P33-K35 PolarHBondContact O-N 2.94Å
34	G	89.2	Confident	94.3	Very high	88 Å²	88	48.7 Å²	48.7	91%	0.907	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	10.3	-179.3	0	0	0	0	0	115.6	R32	R32-G34 PolarHBondContact O-N 3.15Å
35	K	90.8	Very high	94.5	Very high	146 Å²	146	47.7 Å²	47.7	64%	0.635	26%	0.258	S	S	*	.	S	Bend	trans	-120.6	162.3	175.1	-58.3	-67.5	-176.5	-179.2	0	111	R32 P33	R32-K35 HydrophobicContact CB-CB 3.95Å; R32-K35 HydrophobicContact CB-CG 3.96Å; R32-K35 PolarHBondContact O-N 3.01Å; P33-K35 PolarHBondContact O-N 2.94Å
36	G	90.2	Very high	94.6	Very high	56 Å²	56	45.5 Å²	45.5	58%	0.577	26%	0.258	S	S	*	.			trans	-68.7	174	173.4	0	0	0	0	0	113.2
37	L	93.2	Very high	94.6	Very high	95 Å²	95	50.9 Å²	50.9	50%	0.497	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	128.4	173.4	-64.7	172.5	0	0	0	110.3	V29 Q31 W97	V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.89Å; V29-L37 HydrophobicContact CG1-CG 4.32Å; Q31-L37 HydrophobicContact CB-CD2 3.81Å; Q31-L37 HydrophobicContact CG-CD2 3.86Å; L37-W97 HydrophobicContact CD1-CH2 3.84Å; L37-W97 HydrophobicContact CD1-CZ2 4.31Å
38	E	95.3	Very high	94.5	Very high	36 Å²	36	52.2 Å²	52.2	17%	0.168	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	111.7	174.6	-63.3	-170.2	92.1	0	0	109.3	V29 K30 R32 I40 K55 F56	V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; K30-E38 HydrophobicContact CB-CB 4.36Å; K30-E38 PolarHBondContact N-O 3.4Å; K30-E38 PolarHBondContact O-N 3.14Å; R32-E38 IonicContact CZ-OE2 3.23Å; R32-E38 IonicContact NH1-OE2 2.67Å; R32-E38 PolarHBondContact NH1-OE2 2.85Å; E38-I40 PolarHBondContact O-N 2.87Å; E38-K55 IonicContact OE1-NZ 3.38Å; E38-K55 PolarHBondContact OE1-NZ 3.33Å; E38-F56 HydrophobicContact CB-CE2 4.37Å; E38-F56 HydrophobicContact CB-CZ 4.29Å
39	W	95.8	Very high	94.4	Very high	68 Å²	68	56.3 Å²	56.3	26%	0.258	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	127.3	175.4	-177.8	79.4	0	0	0	110.5	N27 G41 R42 N51 N53 L92	N27-W39 PolarHBondContact OD1-NE1 3.44Å; N27-W39 VanDerWaalsContact OD1-NE1 3.13Å; W39-G41 VanDerWaalsContact CZ2-CA 3.41Å; W39-G41 PolarHBondContact NE1-O 2.67Å; W39-R42 HydrophobicContact CZ2-CB 4.01Å; W39-R42 HydrophobicContact CZ2-CG 3.83Å; W39-N51 HydrophobicContact CH2-CB 4.41Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.45Å; W39-N53 HydrophobicContact CE3-CB 3.78Å; W39-N53 HydrophobicContact CZ3-CB 3.98Å; W39-N53 WeakPolarHBondContact O-CB 3.42Å; W39-N53 PolarHBondContact O-ND2 2.82Å; W39-L92 VanDerWaalsContact CD1-CD1 3.5Å
40	I	97.1	Very high	94.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-47.7	-176.9	-59.9	174.8	0	0	0	110	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.33Å; W28-I40 WeakPolarHBondContact O-CB 3.04Å; W28-I40 PolarHBondContact O-N 2.89Å; K30-I40 HydrophobicContact CB-CD1 3.99Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; E38-I40 PolarHBondContact O-N 2.87Å; I40-N53 WeakPolarHBondContact O-CB 3.24Å; I40-N53 PolarHBondContact O-N 3.37Å; I40-F56 HydrophobicContact CB-CD2 4.27Å; I40-F56 HydrophobicContact CB-CG 4.21Å; I40-F56 HydrophobicContact CG1-CD1 4.17Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.1Å; I40-F56 HydrophobicContact CG1-CE2 4.17Å; I40-F56 HydrophobicContact CG1-CG 4.24Å; I40-F56 HydrophobicContact CG1-CZ 4.09Å; I40-F56 HydrophobicContact CG2-CB 3.72Å; I40-F56 HydrophobicContact CG2-CD1 4.09Å; I40-F56 HydrophobicContact CG2-CD2 4.32Å; I40-F56 HydrophobicContact CG2-CG 3.79Å; I40-A60 HydrophobicContact CG2-CB 3.73Å; I40-M73 HydrophobicContact CD1-CE 4.12Å; 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 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.85Å
41	G	97	Very high	94.5	Very high	0 Å²	0	62 Å²	62	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.6	-178.7	-173.1	0	0	0	0	0	111.7	N27 W28 W39 N51	N27-G41 CarbonylContact C-O 3.51Å; N27-G41 WeakPolarHBondContact CA-O 3.37Å; W28-G41 PolarHBondContact N-O 2.81Å; W39-G41 VanDerWaalsContact CZ2-CA 3.41Å; W39-G41 PolarHBondContact NE1-O 2.67Å; G41-N51 CarbonylContact C-O 3.5Å; G41-N51 WeakPolarHBondContact CA-O 3.22Å
42	R	96.7	Very high	94.6	Very high	91 Å²	91	61.2 Å²	61.2	34%	0.343	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	154.8	173.9	67.4	-176.7	-174.5	-168.9	-0.6	111.4	W25 M26 N27 W39 T50 N51	W25-R42 HydrophobicContact CD2-CG 4.25Å; W25-R42 HydrophobicContact CE3-CB 3.98Å; 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 3.53Å; M26-R42 WeakPolarHBondContact O-CA 3.46Å; M26-R42 WeakPolarHBondContact O-CB 3.27Å; N27-R42 HydrophobicContact CB-CB 4.44Å; N27-R42 WeakPolarHBondContact OD1-CB 3.48Å; W39-R42 HydrophobicContact CZ2-CB 4.01Å; W39-R42 HydrophobicContact CZ2-CG 3.83Å; R42-T50 WeakPolarHBondContact O-CA 3.46Å; R42-N51 HydrophobicContact CG-CB 4.18Å; R42-N51 PolarHBondContact N-O 3.23Å; R42-N51 PolarHBondContact O-N 3.31Å
43	I	97.3	Very high	94.7	Very high	5 Å²	5	60.4 Å²	60.4	3%	0.026	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	139.1	173.4	-176.6	165.5	0	0	0	109.8	M26 P45 D49 T50 L62 T63 A64 A71	M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 3.4Å; M26-I43 PolarHBondContact O-N 2.93Å; I43-P45 WeakPolarHBondContact O-CD 3.38Å; I43-D49 CarbonylContact C-O 3.54Å; I43-D49 VanDerWaalsContact CA-O 3.31Å; I43-D49 WeakPolarHBondContact CA-O 3.45Å; I43-T50 HydrophobicContact CB-CG2 3.97Å; I43-T50 HydrophobicContact CD1-CG2 3.96Å; I43-T50 HydrophobicContact CG1-CG2 3.8Å; I43-L62 HydrophobicContact CB-CB 4.07Å; I43-L62 HydrophobicContact CB-CD1 4.44Å; I43-L62 HydrophobicContact CD1-CB 4.38Å; I43-L62 HydrophobicContact CG2-CB 4.4Å; I43-T63 VanDerWaalsContact CD1-C 3.48Å; I43-A64 HydrophobicContact CD1-CB 3.93Å; I43-A71 HydrophobicContact CG2-CB 4.5Å
44	Y	96.1	Very high	95	Very high	62 Å²	62	57.7 Å²	57.7	24%	0.243	35%	0.346	C	S	.	.			trans	-97.3	107.7	167.7	-170	-111.6	0	0	0	108	S23 W25 G46 D47 G48 D49	S23-Y44 VanDerWaalsContact C-CE2 3.42Å; S23-Y44 WeakPolarHBondContact CA-OH 3.18Å; W25-Y44 AromaticContact CD2-CD2 3.97Å; W25-Y44 HydrophobicContact CD2-CD2 3.97Å; W25-Y44 HydrophobicContact CD2-CG 4.34Å; W25-Y44 AromaticContact CE2-CD2 3.87Å; W25-Y44 HydrophobicContact CG-CD2 4.07Å; W25-Y44 HydrophobicContact CZ2-CD2 4.41Å; W25-Y44 HydrophobicContact CZ2-CG 4.25Å; W25-Y44 VanDerWaalsContact CZ3-CB 3.49Å; W25-Y44 AromaticContact NE1-CD2 3.86Å; Y44-G46 PolarHBondContact O-N 2.99Å; Y44-G46 VanDerWaalsContact O-N 3.1Å; Y44-D47 WeakPolarHBondContact CD1-OD1 3.11Å; Y44-G48 VanDerWaalsContact O-CA 3.29Å; Y44-G48 WeakPolarHBondContact O-CA 2.98Å; Y44-G48 PolarHBondContact O-N 3.28Å; Y44-D49 PolarHBondContact N-O 3.16Å
45	P	95.3	Very high	95.1	Very high	4 Å²	4	60.7 Å²	60.7	3%	0.026	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.6	-174	-23.9	36.2	0	0	0	113.6	F21 S24 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.82Å; F21-P45 HydrophobicContact CD1-CG 4.05Å; F21-P45 HydrophobicContact CD2-CG 4.06Å; F21-P45 HydrophobicContact CE1-CB 3.48Å; F21-P45 VanDerWaalsContact CE1-CB 3.48Å; F21-P45 HydrophobicContact CE1-CG 3.64Å; F21-P45 HydrophobicContact CE2-CB 4.4Å; F21-P45 HydrophobicContact CE2-CG 3.63Å; F21-P45 HydrophobicContact CG-CB 4.45Å; F21-P45 HydrophobicContact CG-CG 4.28Å; F21-P45 HydrophobicContact CZ-CB 3.8Å; F21-P45 HydrophobicContact CZ-CG 3.4Å; F21-P45 VanDerWaalsContact CZ-CG 3.4Å; F21-P45 WeakPolarHBondContact O-CG 3.34Å; S24-P45 WeakPolarHBondContact O-CD 3.37Å; I43-P45 WeakPolarHBondContact O-CD 3.38Å; P45-A64 HydrophobicContact CB-CB 3.76Å; P45-A64 HydrophobicContact CG-CB 4.06Å; P45-K66 WeakPolarHBondContact O-CE 3.4Å
46	G	94.1	Very high	95.3	Very high	25 Å²	25	54.4 Å²	54.4	26%	0.258	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-45	-177.3	0	0	0	0	0	114.3	S22 Y44 K66	S22-G46 WeakPolarHBondContact O-CA 3.37Å; S22-G46 PolarHBondContact O-N 3.23Å; S22-G46 VanDerWaalsContact O-N 3.13Å; Y44-G46 PolarHBondContact O-N 2.99Å; Y44-G46 VanDerWaalsContact O-N 3.1Å; G46-K66 VanDerWaalsContact O-CE 3.25Å; G46-K66 WeakPolarHBondContact O-CE 3.39Å; G46-K66 PolarHBondContact O-NZ 3.01Å
47	D	94.8	Very high	95.4	Very high	117 Å²	117	59.5 Å²	59.5	63%	0.626	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.8	-8.1	179.9	55.6	20.4	0	0	0	113.1	Y44 D49	Y44-D47 WeakPolarHBondContact CD1-OD1 3.11Å; D47-D49 VanDerWaalsContact OD1-CB 3.25Å; D47-D49 WeakPolarHBondContact OD1-CB 3.33Å; D47-D49 PolarHBondContact OD1-N 3.26Å
48	G	94.8	Very high	95.3	Very high	39 Å²	39	58.5 Å²	58.5	40%	0.402	33%	0.325	S	S	.	.			trans	83.5	11.1	-177.8	0	0	0	0	0	113.7	Y44	Y44-G48 VanDerWaalsContact O-CA 3.29Å; Y44-G48 WeakPolarHBondContact O-CA 2.98Å; Y44-G48 PolarHBondContact O-N 3.28Å
49	D	96.4	Very high	95.3	Very high	87 Å²	87	58.8 Å²	58.8	47%	0.465	33%	0.326	S	S	.	.			trans	-60.4	139.3	176.8	-172.6	24.6	0	0	0	110.7	W25 I43 Y44 D47	W25-D49 HydrophobicContact CH2-CB 4Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.24Å; W25-D49 WeakPolarHBondContact CZ3-O 3.33Å; I43-D49 CarbonylContact C-O 3.54Å; I43-D49 VanDerWaalsContact CA-O 3.31Å; I43-D49 WeakPolarHBondContact CA-O 3.45Å; Y44-D49 PolarHBondContact N-O 3.16Å; D47-D49 VanDerWaalsContact OD1-CB 3.25Å; D47-D49 WeakPolarHBondContact OD1-CB 3.33Å; D47-D49 PolarHBondContact OD1-N 3.26Å
50	T	97.4	Very high	95.4	Very high	48 Å²	48	55.7 Å²	55.7	29%	0.294	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	138.9	-175.9	53.8	0	0	0	0	111.4	R42 I43 Y52 L62	R42-T50 WeakPolarHBondContact O-CA 3.46Å; I43-T50 HydrophobicContact CB-CG2 3.97Å; I43-T50 HydrophobicContact CD1-CG2 3.96Å; I43-T50 HydrophobicContact CG1-CG2 3.8Å; T50-Y52 HydrophobicContact CG2-CE2 4.47Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.46Å; T50-L62 HydrophobicContact CG2-CB 4.08Å
51	N	96.5	Very high	95.4	Very high	77 Å²	77	58.8 Å²	58.8	41%	0.412	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.6	171.5	-175.8	-130.8	0	0	0	109.7	W39 G41 R42	W39-N51 HydrophobicContact CH2-CB 4.41Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.45Å; G41-N51 CarbonylContact C-O 3.5Å; G41-N51 WeakPolarHBondContact CA-O 3.22Å; R42-N51 HydrophobicContact CG-CB 4.18Å; R42-N51 PolarHBondContact N-O 3.23Å; R42-N51 PolarHBondContact O-N 3.31Å
52	Y	97.1	Very high	95.5	Very high	57 Å²	57	59.2 Å²	59.2	22%	0.224	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	148	-173.8	-65.8	-90.9	0	0	0	110.6	T50 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.47Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.46Å; Y52-A60 HydrophobicContact CE1-CB 4.46Å; Y52-A60 VanDerWaalsContact CE1-O 3.24Å; Y52-A60 WeakPolarHBondContact CE1-O 3.31Å; Y52-L62 HydrophobicContact CE1-CD1 4.06Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 2.67Å
53	N	95.9	Very high	95.5	Very high	48 Å²	48	57.7 Å²	57.7	26%	0.257	34%	0.337	S	S	.	.			trans	-70.7	135.3	158.3	-177.6	-24.4	0	0	0	108.9	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.78Å; W39-N53 HydrophobicContact CZ3-CB 3.98Å; W39-N53 WeakPolarHBondContact O-CB 3.42Å; W39-N53 PolarHBondContact O-ND2 2.82Å; I40-N53 WeakPolarHBondContact O-CB 3.24Å; I40-N53 PolarHBondContact O-N 3.37Å; N53-K55 PolarHBondContact O-N 2.97Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 3.21Å; N53-K55 VanDerWaalsContact OD1-N 3.15Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 2.67Å; N53-K57 PolarHBondContact O-N 2.93Å
54	G	94.1	Very high	95.5	Very high	62 Å²	62	59.1 Å²	59.1	64%	0.639	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-51.8	-34.3	-179	0	0	0	0	0	113.9	F56 K57	G54-F56 PolarHBondContact O-N 2.97Å; G54-K57 PolarHBondContact O-N 3.05Å
55	K	92.1	Very high	95.5	Very high	152 Å²	152	58.9 Å²	58.9	66%	0.661	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-61.8	-28.2	177.4	-68.5	-175.9	178.9	-179.2	0	114.3	E38 N53	E38-K55 IonicContact OE1-NZ 3.38Å; E38-K55 PolarHBondContact OE1-NZ 3.33Å; N53-K55 PolarHBondContact O-N 2.97Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 3.21Å; N53-K55 VanDerWaalsContact OD1-N 3.15Å
56	F	94.4	Very high	95.4	Very high	13 Å²	13	64.3 Å²	64.3	6%	0.057	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-109.4	-1.5	-174.1	-62.2	-85	0	0	0	112.7	K30 E38 I40 N53 G54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.43Å; K30-F56 HydrophobicContact CD-CE1 3.91Å; K30-F56 HydrophobicContact CD-CZ 4.03Å; E38-F56 HydrophobicContact CB-CE2 4.37Å; E38-F56 HydrophobicContact CB-CZ 4.29Å; I40-F56 HydrophobicContact CB-CD2 4.27Å; I40-F56 HydrophobicContact CB-CG 4.21Å; I40-F56 HydrophobicContact CG1-CD1 4.17Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.1Å; I40-F56 HydrophobicContact CG1-CE2 4.17Å; I40-F56 HydrophobicContact CG1-CG 4.24Å; I40-F56 HydrophobicContact CG1-CZ 4.09Å; I40-F56 HydrophobicContact CG2-CB 3.72Å; I40-F56 HydrophobicContact CG2-CD1 4.09Å; I40-F56 HydrophobicContact CG2-CD2 4.32Å; I40-F56 HydrophobicContact CG2-CG 3.79Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 2.67Å; G54-F56 PolarHBondContact O-N 2.97Å; F56-G58 PolarHBondContact O-N 2.81Å; F56-K59 WeakPolarHBondContact O-CB 3.42Å; F56-K59 PolarHBondContact O-N 3.13Å; F56-A60 HydrophobicContact CB-CB 4.42Å; F56-A60 PolarHBondContact O-N 3.17Å
57	K	92.4	Very high	95.4	Very high	164 Å²	164	68.2 Å²	68.2	71%	0.713	40%	0.399	S	S	*	.	B	Isolated β-bridge	trans	-62.3	124.7	176.1	-163.9	176.6	-177.6	179	0	109.2	N53 G54 K59	N53-K57 PolarHBondContact O-N 2.93Å; G54-K57 PolarHBondContact O-N 3.05Å; K57-K59 PolarHBondContact O-N 2.85Å
58	G	91.6	Very high	95.4	Very high	73 Å²	73	64.4 Å²	64.4	75%	0.753	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-15.6	-175.3	0	0	0	0	0	114.9	F56	F56-G58 PolarHBondContact O-N 2.81Å
59	K	94.8	Very high	95.4	Very high	43 Å²	43	64.5 Å²	64.5	19%	0.187	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-43.1	172.2	-174.3	73.4	179.5	-161.7	0	111.8	F56 K57 L75 S76 N77 D82	F56-K59 WeakPolarHBondContact O-CB 3.42Å; F56-K59 PolarHBondContact O-N 3.13Å; K57-K59 PolarHBondContact O-N 2.85Å; K59-L75 WeakPolarHBondContact O-CA 3.44Å; K59-S76 WeakPolarHBondContact CD-O 3.25Å; K59-S76 WeakPolarHBondContact CE-O 3.43Å; K59-S76 PolarHBondContact NZ-O 2.92Å; K59-S76 VanDerWaalsContact NZ-O 3.16Å; K59-S76 PolarHBondContact O-N 2.84Å; K59-N77 PolarHBondContact NZ-O 2.81Å; K59-D82 WeakPolarHBondContact CE-OD2 3.14Å; K59-D82 IonicContact NZ-OD2 3.67Å; K59-D82 PolarHBondContact NZ-OD2 2.88Å
60	A	97.1	Very high	95.4	Very high	3 Å²	3	60.9 Å²	60.9	3%	0.025	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	138.6	-178.9	0	0	0	0	0	111	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.73Å; Y52-A60 HydrophobicContact CE1-CB 4.46Å; Y52-A60 VanDerWaalsContact CE1-O 3.24Å; Y52-A60 WeakPolarHBondContact CE1-O 3.31Å; F56-A60 HydrophobicContact CB-CB 4.42Å; F56-A60 PolarHBondContact O-N 3.17Å; A60-M73 HydrophobicContact CB-CG 4.31Å; A60-M73 HydrophobicContact CB-SD 4.46Å; A60-Q74 CarbonylContact C-O 3.52Å; A60-Q74 VanDerWaalsContact CA-O 3.31Å; A60-Q74 WeakPolarHBondContact CA-O 3.47Å; A60-L75 HydrophobicContact CB-CD2 3.89Å
61	T	97.9	Very high	95.4	Very high	64 Å²	64	58.6 Å²	58.6	39%	0.393	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121.4	169.5	-59.2	0	0	0	0	108.7	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.41Å; T61-M73 WeakPolarHBondContact O-CA 3.31Å; T61-Q74 PolarHBondContact N-O 2.8Å; T61-Q74 PolarHBondContact O-N 3.14Å
62	L	98	Very high	95.5	Very high	9 Å²	9	57.3 Å²	57.3	5%	0.047	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	134	178.9	-53	-175.9	0	0	0	110.4	W28 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 3.98Å; I43-L62 HydrophobicContact CB-CB 4.07Å; I43-L62 HydrophobicContact CB-CD1 4.44Å; I43-L62 HydrophobicContact CD1-CB 4.38Å; I43-L62 HydrophobicContact CG2-CB 4.4Å; T50-L62 HydrophobicContact CG2-CB 4.08Å; Y52-L62 HydrophobicContact CE1-CD1 4.06Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 2.67Å; L62-Y72 WeakPolarHBondContact CA-O 3.44Å; L62-M73 HydrophobicContact CD2-CB 3.74Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.37Å
63	T	97.6	Very high	95.5	Very high	59 Å²	59	54.6 Å²	54.6	36%	0.362	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	162.6	175.7	55.4	0	0	0	0	110	I43 T61 Y72	I43-T63 VanDerWaalsContact CD1-C 3.48Å; T61-T63 HydrophobicContact CG2-CG2 4.41Å; T63-Y72 PolarHBondContact N-O 3.24Å; T63-Y72 PolarHBondContact O-N 2.88Å
64	A	97.2	Very high	95.6	Very high	36 Å²	36	56.1 Å²	56.1	30%	0.298	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	141	177.1	0	0	0	0	0	110.7	F21 I43 P45 T70	F21-A64 HydrophobicContact CE1-CB 4.04Å; F21-A64 HydrophobicContact CZ-CB 3.94Å; I43-A64 HydrophobicContact CD1-CB 3.93Å; P45-A64 HydrophobicContact CB-CB 3.76Å; P45-A64 HydrophobicContact CG-CB 4.06Å; A64-T70 WeakPolarHBondContact CA-O 2.98Å
65	D	95.9	Very high	95.7	Very high	57 Å²	57	53.2 Å²	53.2	31%	0.305	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	110.7	170.3	174.1	9.6	0	0	0	108.8	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 PolarHBondContact O-N 3.47Å; D65-S67 WeakPolarHBondContact OD1-CB 3.17Å; D65-S67 PolarHBondContact OD1-N 2.85Å; D65-S67 PolarHBondContact OD1-OG 2.93Å; D65-S67 PolarHBondContact OD2-OG 2.94Å; D65-S68 WeakPolarHBondContact CB-OG 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 3.4Å; D65-S68 PolarHBondContact OD2-OG 3.01Å; D65-S69 WeakPolarHBondContact O-CA 3.22Å; D65-S69 PolarHBondContact O-N 2.84Å; D65-S69 VanDerWaalsContact O-N 3.09Å; D65-T70 PolarHBondContact N-O 2.86Å; D65-T70 PolarHBondContact O-N 2.92Å; D65-Y72 HydrophobicContact CB-CE2 3.97Å
66	K	93.9	Very high	95.9	Very high	117 Å²	117	47.3 Å²	47.3	51%	0.509	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-36	-179.5	-62.5	173.3	179.6	171.5	0	111.7	P45 G46 S69	P45-K66 WeakPolarHBondContact O-CE 3.4Å; G46-K66 VanDerWaalsContact O-CE 3.25Å; G46-K66 WeakPolarHBondContact O-CE 3.39Å; G46-K66 PolarHBondContact O-NZ 3.01Å; K66-S69 PolarHBondContact O-N 3.01Å
67	S	92.8	Very high	95.9	Very high	108 Å²	108	52.2 Å²	52.2	76%	0.755	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-40.6	-174.3	71.1	0	0	0	0	111.6	D65	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 PolarHBondContact O-N 3.47Å; D65-S67 WeakPolarHBondContact OD1-CB 3.17Å; D65-S67 PolarHBondContact OD1-N 2.85Å; D65-S67 PolarHBondContact OD1-OG 2.93Å; D65-S67 PolarHBondContact OD2-OG 2.94Å
68	S	95.3	Very high	96	Very high	37 Å²	37	44.5 Å²	44.5	26%	0.259	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	0.5	177	63.8	0	0	0	0	113.7	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 3.4Å; D65-S68 PolarHBondContact OD2-OG 3.01Å; S68-T70 PolarHBondContact O-N 2.78Å; S68-T70 PolarHBondContact O-OG1 2.95Å; S68-T70 WeakPolarHBondContact OG-CB 3.01Å; S68-T70 PolarHBondContact OG-OG1 3.34Å
69	S	95.4	Very high	96.1	Very high	40 Å²	40	43.9 Å²	43.9	28%	0.28	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	41	-172.9	-63.6	0	0	0	0	112.9	A16 F21 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.39Å; A16-S69 PolarHBondContact N-O 2.91Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; D65-S69 WeakPolarHBondContact O-CA 3.22Å; D65-S69 PolarHBondContact O-N 2.84Å; D65-S69 VanDerWaalsContact O-N 3.09Å; K66-S69 PolarHBondContact O-N 3.01Å
70	T	96.8	Very high	96	Very high	11 Å²	11	45.4 Å²	45.4	7%	0.067	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.7	-173	-57.5	0	0	0	0	110.8	C14 A64 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.3Å; A64-T70 WeakPolarHBondContact CA-O 2.98Å; D65-T70 PolarHBondContact N-O 2.86Å; D65-T70 PolarHBondContact O-N 2.92Å; S68-T70 PolarHBondContact O-N 2.78Å; S68-T70 PolarHBondContact O-OG1 2.95Å; S68-T70 WeakPolarHBondContact OG-CB 3.01Å; S68-T70 PolarHBondContact OG-OG1 3.34Å; T70-Y72 HydrophobicContact CG2-CD1 4.19Å; T70-Y72 HydrophobicContact CG2-CD2 4.44Å; T70-Y72 HydrophobicContact CG2-CE1 3.57Å; T70-Y72 HydrophobicContact CG2-CE2 3.85Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.1Å
71	A	97	Very high	95.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	150.5	168.5	0	0	0	0	0	109.8	S13 C14 F21 M26 W28 I43	S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.28Å; C14-A71 PolarHBondContact N-O 3.29Å; C14-A71 PolarHBondContact O-N 2.8Å; F21-A71 HydrophobicContact CE2-CB 4.1Å; F21-A71 HydrophobicContact CZ-CB 3.9Å; M26-A71 HydrophobicContact CB-CB 4.16Å; M26-A71 HydrophobicContact CE-CB 4.45Å; M26-A71 HydrophobicContact CG-CB 3.69Å; W28-A71 HydrophobicContact CZ2-CB 4.16Å; I43-A71 HydrophobicContact CG2-CB 4.5Å
72	Y	97.6	Very high	95.5	Very high	51 Å²	51	48.8 Å²	48.8	20%	0.2	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	143.1	176.6	-52.1	-89.4	0	0	0	111	K11 I12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.31Å; K11-Y72 VanDerWaalsContact CE-CB 3.43Å; K11-Y72 HydrophobicContact CG-CD1 4.29Å; I12-Y72 CarbonylContact O-C 3.54Å; I12-Y72 WeakPolarHBondContact O-CA 3.42Å; S13-Y72 VanDerWaalsContact CB-CD1 3.49Å; L62-Y72 WeakPolarHBondContact CA-O 3.44Å; T63-Y72 PolarHBondContact N-O 3.24Å; T63-Y72 PolarHBondContact O-N 2.88Å; D65-Y72 HydrophobicContact CB-CE2 3.97Å; T70-Y72 HydrophobicContact CG2-CD1 4.19Å; T70-Y72 HydrophobicContact CG2-CD2 4.44Å; T70-Y72 HydrophobicContact CG2-CE1 3.57Å; T70-Y72 HydrophobicContact CG2-CE2 3.85Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.1Å
73	M	97.8	Very high	95.4	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.5	167.1	177.6	-176.6	67.8	0	0	108.4	I12 W28 I40 A60 T61 L62 L75 Y86	I12-M73 HydrophobicContact CB-CE 4.47Å; I12-M73 HydrophobicContact CD1-CE 3.78Å; I12-M73 HydrophobicContact CG1-CE 4.45Å; I12-M73 PolarHBondContact N-O 2.85Å; I12-M73 PolarHBondContact O-N 3Å; W28-M73 HydrophobicContact CB-SD 3.98Å; W28-M73 HydrophobicContact CD2-CB 3.63Å; W28-M73 HydrophobicContact CD2-CG 4.42Å; W28-M73 HydrophobicContact CD2-SD 4.14Å; W28-M73 HydrophobicContact CE3-CB 3.82Å; W28-M73 HydrophobicContact CE3-CE 3.92Å; W28-M73 HydrophobicContact CE3-SD 4.08Å; W28-M73 HydrophobicContact CG-CB 4.16Å; W28-M73 HydrophobicContact CG-SD 4.13Å; W28-M73 HydrophobicContact CH2-CB 4.05Å; W28-M73 HydrophobicContact CZ2-CB 3.89Å; W28-M73 HydrophobicContact CZ3-CB 4.03Å; W28-M73 HydrophobicContact CZ3-CE 4.34Å; I40-M73 HydrophobicContact CD1-CE 4.12Å; 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 4.31Å; A60-M73 HydrophobicContact CB-SD 4.46Å; T61-M73 WeakPolarHBondContact O-CA 3.31Å; L62-M73 HydrophobicContact CD2-CB 3.74Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.37Å; M73-L75 HydrophobicContact CE-CD1 3.78Å; M73-L75 HydrophobicContact CE-CD2 4.17Å; M73-L75 HydrophobicContact CE-CG 3.89Å; M73-L75 HydrophobicContact CG-CD2 4.35Å; M73-L75 HydrophobicContact CG-CG 4.36Å; M73-L75 HydrophobicContact SD-CD2 4.04Å; M73-L75 HydrophobicContact SD-CG 4.32Å; M73-Y86 HydrophobicContact CE-CD1 3.56Å; M73-Y86 HydrophobicContact CE-CE1 4.16Å; M73-Y86 HydrophobicContact CE-CG 4.03Å
74	Q	97.5	Very high	95.3	Very high	80 Å²	80	47.6 Å²	47.6	37%	0.374	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	124	169.8	-177.5	172.8	-8.5	0	0	109.1	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.58Å; V10-Q74 VanDerWaalsContact O-CA 3.27Å; V10-Q74 WeakPolarHBondContact O-CA 3.47Å; A60-Q74 CarbonylContact C-O 3.52Å; A60-Q74 VanDerWaalsContact CA-O 3.31Å; A60-Q74 WeakPolarHBondContact CA-O 3.47Å; T61-Q74 PolarHBondContact N-O 2.8Å; T61-Q74 PolarHBondContact O-N 3.14Å
75	L	96.4	Very high	95.3	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.1	172	-64.3	168.3	0	0	0	108.7	S9 V10 I12 K59 A60 M73 L78 Y86 L103	S9-L75 CarbonylContact C-O 3.58Å; S9-L75 WeakPolarHBondContact CA-O 3.22Å; S9-L75 WeakPolarHBondContact CB-O 3.26Å; V10-L75 HydrophobicContact CG1-CB 4.03Å; V10-L75 HydrophobicContact CG1-CD1 4.28Å; V10-L75 PolarHBondContact N-O 2.02Å; V10-L75 PolarHBondContact O-N 2.76Å; I12-L75 HydrophobicContact CD1-CD1 4.38Å; K59-L75 WeakPolarHBondContact O-CA 3.44Å; A60-L75 HydrophobicContact CB-CD2 3.89Å; M73-L75 HydrophobicContact CE-CD1 3.78Å; M73-L75 HydrophobicContact CE-CD2 4.17Å; M73-L75 HydrophobicContact CE-CG 3.89Å; M73-L75 HydrophobicContact CG-CD2 4.35Å; M73-L75 HydrophobicContact CG-CG 4.36Å; M73-L75 HydrophobicContact SD-CD2 4.04Å; M73-L75 HydrophobicContact SD-CG 4.32Å; L75-L78 HydrophobicContact CB-CD2 3.71Å; L75-L78 HydrophobicContact CD1-CD2 4.29Å; L75-Y86 HydrophobicContact CD1-CD1 4.2Å; L75-Y86 HydrophobicContact CD1-CE1 3.6Å; L75-Y86 HydrophobicContact CD1-CE2 4.09Å; L75-L103 HydrophobicContact CD1-CD2 4.14Å
76	S	95.4	Very high	95.3	Very high	28 Å²	28	44.9 Å²	44.9	20%	0.196	25%	0.254	C	S	.	.			trans	-110.5	158	-177.1	-57.8	0	0	0	0	112.1	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.43Å; K59-S76 WeakPolarHBondContact CD-O 3.25Å; K59-S76 WeakPolarHBondContact CE-O 3.43Å; K59-S76 PolarHBondContact NZ-O 2.92Å; K59-S76 VanDerWaalsContact NZ-O 3.16Å; K59-S76 PolarHBondContact O-N 2.84Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.88Å
77	N	94.4	Very high	95.4	Very high	116 Å²	116	40.8 Å²	40.8	62%	0.62	24%	0.237	S	C	*	.	S	Bend	trans	51.7	47.6	175	-60.6	-28.5	0	0	0	113	A8 K59	A8-N77 PolarHBondContact O-N 3.38Å; K59-N77 PolarHBondContact NZ-O 2.81Å
78	L	94.7	Very high	95.6	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	21%	0.205	C	C	.	.			trans	-58.3	142	-171.5	-70	172.5	0	0	0	113	V4 P6 G7 A8 V10 L75 S76 D82 L103 V105	V4-L78 HydrophobicContact CB-CD1 4.44Å; V4-L78 HydrophobicContact CG2-CD1 3.59Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.23Å; G7-L78 PolarHBondContact N-O 2.83Å; A8-L78 WeakPolarHBondContact O-CB 3.27Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.27Å; A8-L78 PolarHBondContact O-N 2.9Å; V10-L78 HydrophobicContact CB-CD1 4.08Å; V10-L78 HydrophobicContact CG1-CD1 3.78Å; V10-L78 HydrophobicContact CG1-CD2 4.5Å; L75-L78 HydrophobicContact CB-CD2 3.71Å; L75-L78 HydrophobicContact CD1-CD2 4.29Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.88Å; L78-D82 WeakPolarHBondContact CA-OD2 3.48Å; L78-D82 HydrophobicContact CD2-CB 3.7Å; L78-L103 HydrophobicContact CD1-CD2 4.18Å; L78-L103 HydrophobicContact CD2-CD2 4.04Å; L78-V105 HydrophobicContact CB-CG1 4.31Å; L78-V105 HydrophobicContact CB-CG2 4.04Å; L78-V105 HydrophobicContact CD1-CG2 4.43Å
79	T	94.3	Very high	95.5	Very high	61 Å²	61	34.5 Å²	34.5	37%	0.374	19%	0.193	S	C	.	.			trans	-123.1	168.9	173.5	68.2	0	0	0	0	110.3	E81 D82 V105	T79-E81 PolarHBondContact O-N 2.84Å; T79-E81 VanDerWaalsContact O-N 3.09Å; T79-D82 PolarHBondContact N-OD2 2.83Å; T79-D82 WeakPolarHBondContact O-CB 3.41Å; T79-D82 PolarHBondContact O-N 3.47Å; T79-V105 WeakPolarHBondContact O-CB 3.24Å; T79-V105 VanDerWaalsContact O-CG2 3.3Å; T79-V105 WeakPolarHBondContact O-CG2 3.47Å
80	S	92.2	Very high	95.2	Very high	74 Å²	74	35 Å²	35	52%	0.517	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-53.1	-31.3	175.5	55.6	0	0	0	0	112.9	D82 S83	S80-D82 PolarHBondContact O-N 3.49Å; S80-S83 VanDerWaalsContact O-CB 3.3Å; S80-S83 WeakPolarHBondContact O-CB 3.45Å; S80-S83 PolarHBondContact O-N 2.86Å; S80-S83 VanDerWaalsContact O-N 3.14Å; S80-S83 PolarHBondContact O-OG 2.8Å
81	E	91	Very high	94.3	Very high	129 Å²	129	39.1 Å²	39.1	60%	0.603	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-67.7	-14.2	176.3	-61	-169.7	179.9	0	0	114.7	K30 R32 T79 S83	K30-E81 WeakPolarHBondContact CE-O 3.49Å; K30-E81 PolarHBondContact NZ-O 2.85Å; R32-E81 PolarHBondContact NE-O 3.04Å; R32-E81 PolarHBondContact NH2-O 2.85Å; R32-E81 IonicContact NH2-OE2 2.91Å; T79-E81 PolarHBondContact O-N 2.84Å; T79-E81 VanDerWaalsContact O-N 3.09Å; E81-S83 VanDerWaalsContact C-N 3.31Å
82	D	93.9	Very high	93.3	Very high	10 Å²	10	42.5 Å²	42.5	5%	0.053	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-84.3	-6.2	174.7	-63.8	-46.9	0	0	0	113.4	K30 K59 L78 T79 S80 A84 Y86 V105	K30-D82 IonicContact NZ-OD1 3.88Å; K30-D82 PolarHBondContact NZ-OD1 2.92Å; K59-D82 WeakPolarHBondContact CE-OD2 3.14Å; K59-D82 IonicContact NZ-OD2 3.67Å; K59-D82 PolarHBondContact NZ-OD2 2.88Å; L78-D82 WeakPolarHBondContact CA-OD2 3.48Å; L78-D82 HydrophobicContact CD2-CB 3.7Å; T79-D82 PolarHBondContact N-OD2 2.83Å; T79-D82 WeakPolarHBondContact O-CB 3.41Å; T79-D82 PolarHBondContact O-N 3.47Å; S80-D82 PolarHBondContact O-N 3.49Å; D82-A84 PolarHBondContact O-N 3.13Å; D82-A84 VanDerWaalsContact O-N 3.15Å; D82-Y86 WeakPolarHBondContact O-CE2 3Å; D82-Y86 PolarHBondContact O-OH 2.88Å; D82-V105 HydrophobicContact CB-CG2 4.18Å
83	S	95.3	Very high	91.6	Very high	35 Å²	35	45.3 Å²	45.3	25%	0.245	25%	0.249	C	C	.	.			trans	-64	113.4	171.2	-56.8	0	0	0	0	110.4	S80 E81 L103 V105	S80-S83 VanDerWaalsContact O-CB 3.3Å; S80-S83 WeakPolarHBondContact O-CB 3.45Å; S80-S83 PolarHBondContact O-N 2.86Å; S80-S83 VanDerWaalsContact O-N 3.14Å; S80-S83 PolarHBondContact O-OG 2.8Å; E81-S83 VanDerWaalsContact C-N 3.31Å; S83-L103 CarbonylContact C-O 3.6Å; S83-L103 VanDerWaalsContact CA-O 3.28Å; S83-L103 WeakPolarHBondContact CA-O 3.47Å; S83-V105 PolarHBondContact OG-N 3.25Å
84	A	96.3	Very high	90.2	Very high	7 Å²	7	57 Å²	57	6%	0.058	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169	172.8	-172.3	0	0	0	0	0	110.7	K30 Q31 R32 D82 Y86 L103	K30-A84 HydrophobicContact CD-CB 4.21Å; K30-A84 HydrophobicContact CG-CB 3.55Å; Q31-A84 WeakPolarHBondContact O-CA 3.19Å; Q31-A84 VanDerWaalsContact O-CB 3.32Å; Q31-A84 WeakPolarHBondContact O-CB 3.01Å; R32-A84 HydrophobicContact CG-CB 4.14Å; D82-A84 PolarHBondContact O-N 3.13Å; D82-A84 VanDerWaalsContact O-N 3.15Å; A84-Y86 HydrophobicContact CB-CD2 4.42Å; A84-Y86 HydrophobicContact CB-CE2 3.85Å; A84-L103 PolarHBondContact N-O 2.92Å; A84-L103 PolarHBondContact O-N 2.81Å
85	V	96.9	Very high	89.2	Confident	36 Å²	36	54.1 Å²	54.1	22%	0.218	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	128.6	161.8	-169.7	0	0	0	0	108.5	Q31 F87 T101	Q31-V85 PolarHBondContact N-O 3.1Å; Q31-V85 PolarHBondContact O-N 2.78Å; V85-F87 HydrophobicContact CB-CE2 3.73Å; V85-F87 HydrophobicContact CB-CZ 3.95Å; V85-F87 HydrophobicContact CG1-CD2 4.21Å; V85-F87 HydrophobicContact CG1-CE1 3.9Å; V85-F87 HydrophobicContact CG1-CE2 3.5Å; V85-F87 VanDerWaalsContact CG1-CE2 3.5Å; V85-F87 HydrophobicContact CG1-CZ 3.32Å; V85-T101 WeakPolarHBondContact CA-O 3.39Å
86	Y	97.1	Very high	88.8	Confident	1 Å²	1	61.7 Å²	61.7	0%	0.004	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	128	178.9	-68.1	-88.6	0	0	0	109.9	I12 V29 K30 I40 M73 L75 D82 A84 G100 T101 L103	I12-Y86 HydrophobicContact CD1-CD2 3.86Å; I12-Y86 HydrophobicContact CD1-CG 3.78Å; V29-Y86 CarbonylContact O-C 3.35Å; V29-Y86 WeakPolarHBondContact O-CA 3.01Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.87Å; K30-Y86 HydrophobicContact CD-CE1 3.87Å; K30-Y86 WeakPolarHBondContact CE-OH 3.39Å; K30-Y86 HydrophobicContact CG-CD1 4.27Å; K30-Y86 HydrophobicContact CG-CE1 3.7Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.85Å; M73-Y86 HydrophobicContact CE-CD1 3.56Å; M73-Y86 HydrophobicContact CE-CE1 4.16Å; M73-Y86 HydrophobicContact CE-CG 4.03Å; L75-Y86 HydrophobicContact CD1-CD1 4.2Å; L75-Y86 HydrophobicContact CD1-CE1 3.6Å; L75-Y86 HydrophobicContact CD1-CE2 4.09Å; D82-Y86 WeakPolarHBondContact O-CE2 3Å; D82-Y86 PolarHBondContact O-OH 2.88Å; A84-Y86 HydrophobicContact CB-CD2 4.42Å; A84-Y86 HydrophobicContact CB-CE2 3.85Å; Y86-G100 CarbonylContact O-C 3.48Å; Y86-G100 VanDerWaalsContact O-CA 3.24Å; Y86-G100 WeakPolarHBondContact O-CA 3.28Å; Y86-T101 PolarHBondContact N-O 3.4Å; Y86-T101 PolarHBondContact O-N 2.98Å; Y86-L103 HydrophobicContact CD2-CB 3.94Å; Y86-L103 HydrophobicContact CD2-CD2 4.38Å; Y86-L103 HydrophobicContact CE2-CB 3.78Å; Y86-L103 HydrophobicContact CE2-CD2 3.7Å; Y86-L103 HydrophobicContact CE2-CG 4.37Å
87	F	96.2	Very high	88.7	Confident	31 Å²	31	64.8 Å²	64.8	14%	0.136	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	147.4	-178.6	-60.2	-88.2	0	0	0	110.7	W28 V29 Q31 V85 W97	W28-F87 CarbonylContact C-O 3.57Å; W28-F87 WeakPolarHBondContact CA-O 2.99Å; V29-F87 PolarHBondContact N-O 2.8Å; V29-F87 PolarHBondContact O-N 3.06Å; Q31-F87 HydrophobicContact CB-CD2 4.3Å; Q31-F87 HydrophobicContact CB-CE2 3.76Å; V85-F87 HydrophobicContact CB-CE2 3.73Å; V85-F87 HydrophobicContact CB-CZ 3.95Å; V85-F87 HydrophobicContact CG1-CD2 4.21Å; V85-F87 HydrophobicContact CG1-CE1 3.9Å; V85-F87 HydrophobicContact CG1-CE2 3.5Å; V85-F87 VanDerWaalsContact CG1-CE2 3.5Å; V85-F87 HydrophobicContact CG1-CZ 3.32Å; F87-W97 HydrophobicContact CB-CE3 3.75Å; F87-W97 HydrophobicContact CB-CZ3 3.9Å; F87-W97 HydrophobicContact CG-CE3 4.24Å; F87-W97 HydrophobicContact CG-CZ3 4.43Å
88	C	95.4	Very high	88.5	Confident	12 Å²	12	60.6 Å²	60.6	8%	0.081	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	148.9	161.1	60.2	0	0	0	0	110.1	C14 M26 N27 W28 G98	C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.37Å; C14-C88 WeakPolarHBondContact SG-CB 3.49Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.45Å; M26-C88 HydrophobicContact CG-CB 4.37Å; M26-C88 HydrophobicContact SD-CB 3.75Å; N27-C88 CarbonylContact O-C 3.59Å; N27-C88 WeakPolarHBondContact O-CA 3.35Å; W28-C88 HydrophobicContact CD2-CB 4.48Å; W28-C88 HydrophobicContact CE3-CB 4.29Å; W28-C88 HydrophobicContact CH2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.25Å; C88-G98 PolarHBondContact O-N 3.26Å
89	A	94.1	Very high	88.4	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.008	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	139.1	177.5	0	0	0	0	0	112.4	N27 L92 Y96 W97	N27-A89 WeakPolarHBondContact CA-O 3.13Å; N27-A89 HydrophobicContact CB-CB 4.47Å; N27-A89 VanDerWaalsContact CB-O 3.27Å; N27-A89 WeakPolarHBondContact CB-O 2.99Å; N27-A89 PolarHBondContact N-O 3.1Å; N27-A89 PolarHBondContact ND2-O 3.46Å; N27-A89 PolarHBondContact O-N 3.08Å; A89-L92 HydrophobicContact CB-CD2 3.74Å; A89-L92 HydrophobicContact CB-CG 4.38Å; A89-Y96 CarbonylContact C-O 3.47Å; A89-Y96 WeakPolarHBondContact CA-O 2.75Å; A89-W97 HydrophobicContact CB-CD2 3.81Å; A89-W97 HydrophobicContact CB-CE3 3.83Å; A89-W97 HydrophobicContact CB-CG 4.29Å; A89-W97 HydrophobicContact CB-CH2 4.48Å; A89-W97 HydrophobicContact CB-CZ2 4.49Å; A89-W97 HydrophobicContact CB-CZ3 4.17Å
90	R	88.3	Confident	88.4	Confident	49 Å²	49	68.6 Å²	68.6	19%	0.185	35%	0.347	C	S	.	.	S	Bend	trans	-75.5	-48.4	178.2	-168.1	-177.8	78	-168.6	6.6	112.1	Y19 W25 N27 Y96	Y19-R90 HydrophobicContact CE2-CG 4.17Å; W25-R90 VanDerWaalsContact O-O 3.12Å; N27-R90 PolarHBondContact ND2-O 2.91Å; N27-R90 VanDerWaalsContact ND2-O 3.17Å; R90-Y96 PolarHBondContact N-O 3.09Å; R90-Y96 VanDerWaalsContact NH2-CE2 3.34Å
91	E	79.6	Confident	88.6	Confident	99 Å²	99	67.5 Å²	67.5	46%	0.463	34%	0.337	S	S	.	.	S	Bend	trans	-130.8	132	-176.8	-73.2	159.1	-136	0	0	108.7	G95	E91-G95 WeakPolarHBondContact O-CA 3.29Å; E91-G95 PolarHBondContact O-N 3.31Å
92	L	75.6	Confident	88.8	Confident	70 Å²	70	64.2 Å²	64.2	37%	0.366	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110	145	176.5	-68.1	177.5	0	0	0	109.8	N27 V29 W39 A89 W97	N27-L92 HydrophobicContact CB-CD1 3.82Å; N27-L92 HydrophobicContact CB-CG 4.24Å; V29-L92 HydrophobicContact CG2-CD1 4.14Å; V29-L92 HydrophobicContact CG2-CD2 4.44Å; W39-L92 VanDerWaalsContact CD1-CD1 3.5Å; A89-L92 HydrophobicContact CB-CD2 3.74Å; A89-L92 HydrophobicContact CB-CG 4.38Å; L92-W97 HydrophobicContact CD2-CH2 3.32Å; L92-W97 HydrophobicContact CD2-CZ2 3.12Å; L92-W97 HydrophobicContact CD2-CZ3 4.21Å
93	P	61.4	Low	88.9	Confident	111 Å²	111	63.8 Å²	63.8	72%	0.721	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	cis	-94.5	-15.6	2.5	34.1	-32.7	0	0	0	115.1	W97	P93-W97 PolarHBondContact O-NE1 3.16Å
94	R	68	Low	88.8	Confident	246 Å²	246	65 Å²	65	93%	0.928	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	13	-173.4	-70.9	-173.8	176.4	154.6	-0.7	114.9
95	G	77.9	Confident	88.7	Confident	18 Å²	18	65 Å²	65	19%	0.186	33%	0.328	C	S	.	.	S	Bend	trans	-82.6	-162.8	-177.7	0	0	0	0	0	114.2	E91	E91-G95 WeakPolarHBondContact O-CA 3.29Å; E91-G95 PolarHBondContact O-N 3.31Å
96	Y	87.4	Confident	88.2	Confident	161 Å²	161	65.4 Å²	65.4	63%	0.631	33%	0.333	S	S	*	.			trans	-79	126.1	-178.6	-60.7	-86.7	0	0	0	111.3	A89 R90	A89-Y96 CarbonylContact C-O 3.47Å; A89-Y96 WeakPolarHBondContact CA-O 2.75Å; R90-Y96 PolarHBondContact N-O 3.09Å; R90-Y96 VanDerWaalsContact NH2-CE2 3.34Å
97	W	92	Very high	87.2	Confident	93 Å²	93	73.2 Å²	73.2	35%	0.352	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-110	143.7	178.7	-67.2	81.8	0	0	0	111.1	V29 L37 F87 A89 L92 P93	V29-W97 HydrophobicContact CB-CH2 4.34Å; V29-W97 HydrophobicContact CB-CZ3 3.93Å; V29-W97 HydrophobicContact CG1-CH2 4.27Å; V29-W97 HydrophobicContact CG1-CZ3 4.17Å; V29-W97 HydrophobicContact CG2-CH2 3.95Å; V29-W97 HydrophobicContact CG2-CZ3 3.85Å; L37-W97 HydrophobicContact CD1-CH2 3.84Å; L37-W97 HydrophobicContact CD1-CZ2 4.31Å; F87-W97 HydrophobicContact CB-CE3 3.75Å; F87-W97 HydrophobicContact CB-CZ3 3.9Å; F87-W97 HydrophobicContact CG-CE3 4.24Å; F87-W97 HydrophobicContact CG-CZ3 4.43Å; A89-W97 HydrophobicContact CB-CD2 3.81Å; A89-W97 HydrophobicContact CB-CE3 3.83Å; A89-W97 HydrophobicContact CB-CG 4.29Å; A89-W97 HydrophobicContact CB-CH2 4.48Å; A89-W97 HydrophobicContact CB-CZ2 4.49Å; A89-W97 HydrophobicContact CB-CZ3 4.17Å; L92-W97 HydrophobicContact CD2-CH2 3.32Å; L92-W97 HydrophobicContact CD2-CZ2 3.12Å; L92-W97 HydrophobicContact CD2-CZ3 4.21Å; P93-W97 PolarHBondContact O-NE1 3.16Å
98	G	92.1	Very high	86.7	Confident	27 Å²	27	75.3 Å²	75.3	28%	0.278	40%	0.4	S	S	.	.			trans	-71.2	164.9	165.1	0	0	0	0	0	111.7	C88 G100	C88-G98 PolarHBondContact O-N 3.26Å; G98-G100 PolarHBondContact O-N 3.26Å; G98-G100 VanDerWaalsContact O-N 3.14Å
99	Q	92.3	Very high	86.3	Confident	202 Å²	202	78.6 Å²	78.6	94%	0.944	42%	0.417	S	S	*	.			trans	-63.5	-18.9	179.2	-67.2	-179.3	-14.8	0	0	113.7
100	G	93.8	Very high	85.8	Confident	29 Å²	29	82.9 Å²	82.9	30%	0.299	44%	0.439	S	S	.	.			trans	87.7	153.6	-177.2	0	0	0	0	0	113	Y86 G98	Y86-G100 CarbonylContact O-C 3.48Å; Y86-G100 VanDerWaalsContact O-CA 3.24Å; Y86-G100 WeakPolarHBondContact O-CA 3.28Å; G98-G100 PolarHBondContact O-N 3.26Å; G98-G100 VanDerWaalsContact O-N 3.14Å
101	T	95.6	Very high	85.7	Confident	51 Å²	51	84.9 Å²	84.9	31%	0.313	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	116.3	176.8	-56.5	0	0	0	0	108.9	I12 V85 Y86 L103	I12-T101 HydrophobicContact CG2-CG2 4.32Å; V85-T101 WeakPolarHBondContact CA-O 3.39Å; Y86-T101 PolarHBondContact N-O 3.4Å; Y86-T101 PolarHBondContact O-N 2.98Å; T101-L103 PolarHBondContact O-N 3.01Å
102	T	96.1	Very high	86.1	Confident	59 Å²	59	84.1 Å²	84.1	36%	0.362	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	121	173.7	-48.9	0	0	0	0	110	P1 E2	P1-T102 CarbonylContact C-O 3.55Å; P1-T102 VanDerWaalsContact CA-O 3.22Å; P1-T102 WeakPolarHBondContact CA-O 3.5Å; P1-T102 HydrophobicContact CB-CG2 4.39Å; E2-T102 PolarHBondContact N-O 2.64Å
103	L	94.8	Very high	86.8	Confident	2 Å²	2	85 Å²	85	1%	0.01	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.2	171.6	-179.2	68.5	0	0	0	108.7	E2 V4 V10 L75 L78 S83 A84 Y86 T101 V105	E2-L103 HydrophobicContact CB-CD1 4.07Å; V4-L103 HydrophobicContact CG1-CD1 4.05Å; V4-L103 HydrophobicContact CG2-CD1 3.84Å; V4-L103 HydrophobicContact CG2-CG 4.49Å; V10-L103 HydrophobicContact CB-CD1 4.42Å; V10-L103 HydrophobicContact CG1-CD1 4.09Å; V10-L103 HydrophobicContact CG1-CD2 3.83Å; V10-L103 HydrophobicContact CG2-CD1 4.26Å; L75-L103 HydrophobicContact CD1-CD2 4.14Å; L78-L103 HydrophobicContact CD1-CD2 4.18Å; L78-L103 HydrophobicContact CD2-CD2 4.04Å; S83-L103 CarbonylContact C-O 3.6Å; S83-L103 VanDerWaalsContact CA-O 3.28Å; S83-L103 WeakPolarHBondContact CA-O 3.47Å; A84-L103 PolarHBondContact N-O 2.92Å; A84-L103 PolarHBondContact O-N 2.81Å; Y86-L103 HydrophobicContact CD2-CB 3.94Å; Y86-L103 HydrophobicContact CD2-CD2 4.38Å; Y86-L103 HydrophobicContact CE2-CB 3.78Å; Y86-L103 HydrophobicContact CE2-CD2 3.7Å; Y86-L103 HydrophobicContact CE2-CG 4.37Å; T101-L103 PolarHBondContact O-N 3.01Å; L103-V105 HydrophobicContact CG-CG2 4.5Å
104	T	94.8	Very high	88.6	Confident	60 Å²	60	83.1 Å²	83.1	37%	0.368	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	121.1	174.9	-57.4	0	0	0	0	108.6	E2 L3 V4	E2-T104 PolarHBondContact O-N 3.48Å; L3-T104 WeakPolarHBondContact CA-O 3.41Å; L3-T104 HydrophobicContact CD1-CG2 3.94Å; V4-T104 PolarHBondContact N-O 2.6Å
105	V	92.7	Very high	90.2	Very high	7 Å²	7	70.6 Å²	70.6	4%	0.042	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	117.7	174.8	-171	0	0	0	0	107.7	V4 P6 L78 T79 D82 S83 L103	V4-V105 HydrophobicContact CG2-CB 4.23Å; V4-V105 HydrophobicContact CG2-CG1 4.31Å; V4-V105 HydrophobicContact CG2-CG2 3.74Å; V4-V105 CarbonylContact O-C 3.58Å; V4-V105 WeakPolarHBondContact O-CA 3.45Å; P6-V105 HydrophobicContact CG-CG1 4.31Å; L78-V105 HydrophobicContact CB-CG1 4.31Å; L78-V105 HydrophobicContact CB-CG2 4.04Å; L78-V105 HydrophobicContact CD1-CG2 4.43Å; T79-V105 WeakPolarHBondContact O-CB 3.24Å; T79-V105 VanDerWaalsContact O-CG2 3.3Å; T79-V105 WeakPolarHBondContact O-CG2 3.47Å; D82-V105 HydrophobicContact CB-CG2 4.18Å; S83-V105 PolarHBondContact OG-N 3.25Å; L103-V105 HydrophobicContact CG-CG2 4.5Å
106	S	88.1	Confident	91.2	Very high	44 Å²	44	75 Å²	75	31%	0.308	42%	0.422	S	S	.	.			trans	-62.7	141.1	177.1	63.1	0	0	0	0	109.8	V4 P6	V4-S106 PolarHBondContact O-N 3.27Å; V4-S106 PolarHBondContact O-OG 2.72Å; P6-S106 WeakPolarHBondContact CD-O 3.25Å; P6-S106 WeakPolarHBondContact CG-O 3.35Å
107	S	74.6	Confident	91.5	Very high	165 Å²	165	67.2 Å²	67.2	100%	1.154	40%	0.403	S	S	*	.			trans	-71.1	0	170.4	46.2	0	0	0	0	112.4

Retrieved 107 of 107 residues in 22.1 ms (Link to these results)

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