X5J529_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J529, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 107 aa.

						>X5J529_MOUSE|X5J529
PELVKPGASVKISCKASGYAFSSSWMNWVKQRPGRGLEWIGRIYPGDGDTNYNGKFKGKATLTADKSSSTAYMQLSSLTSEDSAVYFCARELPRGYWGQGTTLTVSS
					

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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	63.7	Low	89.2	Confident	145 Å²	145	81.1 Å²	81.1	94%	0.942	47%	0.468	S	S	*	.				0	118.1	0	-14	30.7	0	0	0	109.4	T102	P1-T102 CarbonylContact C-O 3.47Å; P1-T102 VanDerWaalsContact CA-O 3.24Å; P1-T102 WeakPolarHBondContact CA-O 3.27Å; P1-T102 HydrophobicContact CB-CG2 4.37Å
2	E	79.1	Confident	89.9	Confident	86 Å²	86	74.9 Å²	74.9	40%	0.402	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	120.8	177.4	-163.9	176.8	166.2	0	0	109.1	V4 V10 T102 L103 T104	E2-V4 HydrophobicContact CG-CG1 3.9Å; E2-V10 VanDerWaalsContact CD-CG2 3.43Å; E2-V10 VanDerWaalsContact OE1-CG2 3.28Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.47Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.37Å; E2-T102 PolarHBondContact N-O 3.5Å; E2-L103 HydrophobicContact CB-CD1 4.09Å; E2-T104 PolarHBondContact O-N 2.66Å
3	L	88	Confident	90.4	Very high	133 Å²	133	74.8 Å²	74.8	70%	0.696	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	119.7	175.9	-178.9	66.7	0	0	0	108.9	T104	L3-T104 WeakPolarHBondContact CA-O 3.44Å; L3-T104 HydrophobicContact CD1-CG2 3.95Å
4	V	91.6	Very high	90.8	Very high	17 Å²	17	70.4 Å²	70.4	10%	0.103	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	153.3	-175.8	-59.7	0	0	0	0	111.4	E2 L78 L103 T104 V105 S106	E2-V4 HydrophobicContact CG-CG1 3.9Å; V4-L78 HydrophobicContact CB-CD1 4.4Å; V4-L78 HydrophobicContact CG2-CD1 3.61Å; V4-L103 HydrophobicContact CG1-CD1 4.01Å; V4-L103 HydrophobicContact CG2-CD1 3.81Å; V4-L103 HydrophobicContact CG2-CG 4.44Å; V4-T104 PolarHBondContact N-O 2.62Å; V4-V105 HydrophobicContact CG2-CB 4.19Å; V4-V105 HydrophobicContact CG2-CG1 4.28Å; V4-V105 HydrophobicContact CG2-CG2 3.71Å; V4-V105 CarbonylContact O-C 3.58Å; V4-V105 WeakPolarHBondContact O-CA 3.41Å; V4-S106 PolarHBondContact O-N 3.26Å; V4-S106 PolarHBondContact O-OG 3.03Å
5	K	91.3	Very high	91.2	Very high	162 Å²	162	76.3 Å²	76.3	70%	0.704	43%	0.432	S	S	*	.			trans	-81.5	152.5	176.5	-63.2	-178.7	-178.9	-179.6	0	110.8	A8	K5-A8 WeakPolarHBondContact O-CB 3.28Å; K5-A8 PolarHBondContact O-N 3.24Å
6	P	93.6	Very high	91.3	Very high	64 Å²	64	72.1 Å²	72.1	42%	0.416	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	146.4	168.2	-27.7	36.1	0	0	0	112.3	A8 L78 V105 S106	P6-A8 PolarHBondContact O-N 3.3Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.28Å; P6-V105 HydrophobicContact CG-CG1 4.33Å; P6-S106 WeakPolarHBondContact CD-O 3.36Å; P6-S106 WeakPolarHBondContact CG-O 3.46Å
7	G	92.7	Very high	91.3	Very high	53 Å²	53	73.7 Å²	73.7	55%	0.546	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	-13.9	-178.6	0	0	0	0	0	114.7	L78	G7-L78 PolarHBondContact N-O 2.91Å
8	A	94.2	Very high	91.1	Very high	35 Å²	35	74.4 Å²	74.4	29%	0.289	45%	0.453	S	S	.	.			trans	-65.7	165.3	176.1	0	0	0	0	0	112	K5 P6 S77 L78	K5-A8 WeakPolarHBondContact O-CB 3.28Å; K5-A8 PolarHBondContact O-N 3.24Å; P6-A8 PolarHBondContact O-N 3.3Å; A8-S77 PolarHBondContact O-N 2.02Å; A8-L78 WeakPolarHBondContact O-CB 3.23Å; A8-L78 VanDerWaalsContact O-CG 3.28Å; A8-L78 WeakPolarHBondContact O-CG 3.28Å; A8-L78 PolarHBondContact O-N 2.84Å
9	S	95.3	Very high	90.8	Very high	70 Å²	70	73.7 Å²	73.7	49%	0.49	44%	0.441	S	S	.	.			trans	-117	143.2	169.1	-58.7	0	0	0	0	109.7	L75 S76	S9-L75 CarbonylContact C-O 3.48Å; S9-L75 WeakPolarHBondContact CA-O 3.48Å; S9-L75 WeakPolarHBondContact CB-O 3.3Å; S9-S76 WeakPolarHBondContact OG-CA 3.01Å
10	V	95.6	Very high	90.9	Very high	5 Å²	5	73.1 Å²	73.1	3%	0.03	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147	177.7	69.6	0	0	0	0	110.2	E2 I12 Q74 L75 L78 L103	E2-V10 VanDerWaalsContact CD-CG2 3.43Å; E2-V10 VanDerWaalsContact OE1-CG2 3.28Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.47Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.37Å; V10-I12 HydrophobicContact CG1-CG1 4.46Å; V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.17Å; V10-L75 HydrophobicContact CG1-CB 4.04Å; V10-L75 HydrophobicContact CG1-CD1 4.31Å; V10-L75 PolarHBondContact N-O 2.85Å; V10-L75 PolarHBondContact O-N 2.8Å; V10-L78 HydrophobicContact CB-CD1 4.07Å; V10-L78 HydrophobicContact CG1-CD1 3.79Å; V10-L103 HydrophobicContact CB-CD1 4.46Å; V10-L103 HydrophobicContact CG1-CD1 4.11Å; V10-L103 HydrophobicContact CG1-CD2 3.82Å; V10-L103 HydrophobicContact CG2-CD1 4.29Å
11	K	96.6	Very high	90.9	Very high	122 Å²	122	69.8 Å²	69.8	53%	0.53	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	111.3	175.2	-175.1	175.2	177.9	-179.7	0	109.6	Y72	K11-Y72 HydrophobicContact CD-CD1 4.3Å; K11-Y72 VanDerWaalsContact CE-CB 3.45Å; K11-Y72 HydrophobicContact CG-CD1 4.27Å
12	I	96.6	Very high	92.4	Very high	7 Å²	7	65.8 Å²	65.8	4%	0.036	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	136.2	177.2	-56.8	174.6	0	0	0	108.1	V10 W28 Y72 M73 L75 Y86 T101	V10-I12 HydrophobicContact CG1-CG1 4.46Å; I12-W28 HydrophobicContact CB-CH2 4.4Å; I12-W28 HydrophobicContact CB-CZ3 4.17Å; I12-W28 HydrophobicContact CG2-CH2 4.04Å; I12-W28 HydrophobicContact CG2-CZ3 3.67Å; I12-Y72 CarbonylContact O-C 3.53Å; I12-Y72 VanDerWaalsContact O-CA 3.23Å; I12-Y72 WeakPolarHBondContact O-CA 2.99Å; I12-M73 HydrophobicContact CD1-CE 3.82Å; I12-M73 PolarHBondContact N-O 2.96Å; I12-M73 PolarHBondContact O-N 2.79Å; I12-L75 HydrophobicContact CD1-CD1 4.31Å; I12-Y86 HydrophobicContact CD1-CD2 3.88Å; I12-Y86 HydrophobicContact CD1-CG 3.79Å; I12-T101 HydrophobicContact CG2-CG2 4.41Å
13	S	96.9	Very high	93	Very high	73 Å²	73	64.8 Å²	64.8	51%	0.51	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	149.6	179.3	66.2	0	0	0	0	111.6	A71 Y72	S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.29Å; S13-Y72 VanDerWaalsContact CB-CD1 3.49Å; S13-Y72 VanDerWaalsContact CB-CE1 3.5Å
14	C	96.3	Very high	93.2	Very high	14 Å²	14	59.5 Å²	59.5	10%	0.095	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	107.6	174.2	176.5	0	0	0	0	109.2	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.74Å; C14-W28 HydrophobicContact CB-CZ2 4.01Å; C14-T70 WeakPolarHBondContact O-CA 3.4Å; C14-A71 PolarHBondContact N-O 3.09Å; C14-A71 PolarHBondContact O-N 2.86Å; C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 3.47Å; C14-C88 WeakPolarHBondContact SG-CB 3.49Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.92Å
15	K	95.8	Very high	93.3	Very high	158 Å²	158	62 Å²	62	69%	0.687	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	120.3	178	-172.5	173.3	-175.6	177.8	0	110.1
16	A	92.9	Very high	93.5	Very high	10 Å²	10	54.5 Å²	54.5	8%	0.083	35%	0.351	C	S	.	.			trans	-79.3	148.5	174.7	0	0	0	0	0	111.3	Y19 F21 M26 S69	A16-Y19 HydrophobicContact CB-CE1 3.76Å; A16-Y19 HydrophobicContact CB-CE2 4.31Å; A16-Y19 VanDerWaalsContact CB-OH 3.23Å; A16-Y19 WeakPolarHBondContact CB-OH 3.32Å; A16-F21 HydrophobicContact CB-CB 4.11Å; A16-F21 HydrophobicContact CB-CD2 3.36Å; A16-F21 HydrophobicContact CB-CE2 4.06Å; A16-F21 HydrophobicContact CB-CG 4.01Å; A16-M26 HydrophobicContact CB-CE 4.34Å; A16-S69 WeakPolarHBondContact CB-O 3.32Å; A16-S69 PolarHBondContact N-O 2.84Å
17	S	91.1	Very high	93.7	Very high	99 Å²	99	51.9 Å²	51.9	69%	0.692	33%	0.334	S	S	*	.			trans	-149.3	151.8	172.7	59	0	0	0	0	110.4	Y19	S17-Y19 VanDerWaalsContact O-CD1 3.24Å; S17-Y19 WeakPolarHBondContact O-CD1 3.32Å; S17-Y19 PolarHBondContact O-N 2.86Å
18	G	88.1	Confident	93.9	Very high	87 Å²	87	49.5 Å²	49.5	90%	0.897	31%	0.308	S	S	*	.	S	Bend	trans	77.9	12.7	175	0	0	0	0	0	116.1
19	Y	86.3	Confident	94	Very high	61 Å²	61	48 Å²	48	24%	0.239	30%	0.295	C	S	.	.	S	Bend	trans	-157.8	168.1	173.9	66.4	-84.5	0	0	0	112.3	A16 S17 F21 S24 M26 R90	A16-Y19 HydrophobicContact CB-CE1 3.76Å; A16-Y19 HydrophobicContact CB-CE2 4.31Å; A16-Y19 VanDerWaalsContact CB-OH 3.23Å; A16-Y19 WeakPolarHBondContact CB-OH 3.32Å; S17-Y19 VanDerWaalsContact O-CD1 3.24Å; S17-Y19 WeakPolarHBondContact O-CD1 3.32Å; S17-Y19 PolarHBondContact O-N 2.86Å; Y19-F21 HydrophobicContact CE2-CB 4.49Å; Y19-F21 HydrophobicContact CE2-CD2 4.48Å; Y19-F21 PolarHBondContact O-N 3.38Å; Y19-S24 WeakPolarHBondContact CD2-OG 3.4Å; Y19-M26 VanDerWaalsContact OH-CE 3.27Å; Y19-M26 WeakPolarHBondContact OH-CE 3.28Å; Y19-R90 HydrophobicContact CE2-CG 4.15Å
20	A	91.2	Very high	94.1	Very high	60 Å²	60	44.7 Å²	44.7	50%	0.496	27%	0.272	S	S	.	.			trans	-71.2	95.1	173.4	0	0	0	0	0	110.8	S22 S23 S24	A20-S22 VanDerWaalsContact C-N 3.31Å; A20-S22 PolarHBondContact O-N 3.24Å; A20-S23 VanDerWaalsContact CB-OG 3.29Å; A20-S23 WeakPolarHBondContact CB-OG 3.41Å; A20-S23 PolarHBondContact O-N 2.87Å; A20-S23 PolarHBondContact O-OG 3.07Å; A20-S24 PolarHBondContact O-OG 3.26Å; A20-S24 VanDerWaalsContact O-OG 3.13Å
21	F	92.9	Very high	94.1	Very high	5 Å²	5	48 Å²	48	2%	0.022	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-58.8	-39.9	-177.1	175.2	-111.1	0	0	0	113.1	A16 Y19 S23 S24 M26 P45 A64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.11Å; A16-F21 HydrophobicContact CB-CD2 3.36Å; A16-F21 HydrophobicContact CB-CE2 4.06Å; A16-F21 HydrophobicContact CB-CG 4.01Å; Y19-F21 HydrophobicContact CE2-CB 4.49Å; Y19-F21 HydrophobicContact CE2-CD2 4.48Å; Y19-F21 PolarHBondContact O-N 3.38Å; F21-S23 PolarHBondContact O-N 3.17Å; F21-S24 PolarHBondContact O-N 3.38Å; F21-M26 HydrophobicContact CD2-CE 4.35Å; F21-M26 HydrophobicContact CE2-CE 3.88Å; F21-P45 HydrophobicContact CD1-CB 3.86Å; F21-P45 HydrophobicContact CD1-CG 4.09Å; F21-P45 HydrophobicContact CD2-CG 4.09Å; F21-P45 HydrophobicContact CE1-CB 3.47Å; F21-P45 VanDerWaalsContact CE1-CB 3.47Å; F21-P45 HydrophobicContact CE1-CG 3.65Å; F21-P45 HydrophobicContact CE2-CB 4.4Å; F21-P45 HydrophobicContact CE2-CG 3.65Å; F21-P45 HydrophobicContact CG-CB 4.5Å; F21-P45 HydrophobicContact CG-CG 4.32Å; F21-P45 HydrophobicContact CZ-CB 3.78Å; F21-P45 HydrophobicContact CZ-CG 3.41Å; F21-P45 VanDerWaalsContact CZ-CG 3.41Å; F21-P45 WeakPolarHBondContact O-CG 3.2Å; F21-A64 HydrophobicContact CE1-CB 4.13Å; 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 3.95Å
22	S	93.8	Very high	93.9	Very high	60 Å²	60	44.5 Å²	44.5	42%	0.42	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-68.1	-13.6	180	52.7	0	0	0	0	114.5	A20 G46	A20-S22 VanDerWaalsContact C-N 3.31Å; A20-S22 PolarHBondContact O-N 3.24Å; S22-G46 WeakPolarHBondContact O-CA 3.5Å; S22-G46 PolarHBondContact O-N 3.1Å; S22-G46 VanDerWaalsContact O-N 3.08Å
23	S	92.3	Very high	93.5	Very high	65 Å²	65	49.8 Å²	49.8	46%	0.455	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-114	18	-178.3	71.6	0	0	0	0	113.5	A20 F21 Y44	A20-S23 VanDerWaalsContact CB-OG 3.29Å; A20-S23 WeakPolarHBondContact CB-OG 3.41Å; A20-S23 PolarHBondContact O-N 2.87Å; A20-S23 PolarHBondContact O-OG 3.07Å; F21-S23 PolarHBondContact O-N 3.17Å; S23-Y44 VanDerWaalsContact C-CE2 3.41Å; S23-Y44 WeakPolarHBondContact CA-OH 3.18Å
24	S	91.7	Very high	93.2	Very high	23 Å²	23	50.8 Å²	50.8	16%	0.161	33%	0.327	C	S	.	.	S	Bend	trans	-136.9	138.8	-175.2	-55.7	0	0	0	0	111.6	Y19 A20 F21 P45	Y19-S24 WeakPolarHBondContact CD2-OG 3.4Å; A20-S24 PolarHBondContact O-OG 3.26Å; A20-S24 VanDerWaalsContact O-OG 3.13Å; F21-S24 PolarHBondContact O-N 3.38Å; S24-P45 WeakPolarHBondContact O-CD 3.39Å
25	W	93.9	Very high	92.9	Very high	69 Å²	69	57.5 Å²	57.5	26%	0.261	35%	0.351	S	S	.	.			trans	-65.4	140.4	172	-71.3	97.1	0	0	0	111.3	R42 Y44 D49 R90	W25-R42 HydrophobicContact CD2-CG 4.27Å; W25-R42 HydrophobicContact CE3-CB 4Å; W25-R42 HydrophobicContact CE3-CG 3.46Å; W25-R42 VanDerWaalsContact CE3-CG 3.46Å; W25-R42 HydrophobicContact CZ3-CG 3.76Å; W25-Y44 AromaticContact CD1-CD2 3.94Å; W25-Y44 AromaticContact CD2-CD2 3.88Å; W25-Y44 HydrophobicContact CD2-CD2 3.88Å; W25-Y44 HydrophobicContact CD2-CG 4.31Å; W25-Y44 AromaticContact CE2-CD2 3.77Å; W25-Y44 HydrophobicContact CE3-CD2 4.49Å; W25-Y44 VanDerWaalsContact CE3-N 3.27Å; W25-Y44 HydrophobicContact CG-CD2 4Å; W25-Y44 HydrophobicContact CH2-CG 4.49Å; W25-Y44 HydrophobicContact CZ2-CD2 4.31Å; W25-Y44 HydrophobicContact CZ2-CG 4.22Å; W25-Y44 VanDerWaalsContact CZ3-CB 3.49Å; W25-Y44 AromaticContact NE1-CD2 3.79Å; W25-D49 HydrophobicContact CH2-CB 3.97Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.46Å; W25-D49 WeakPolarHBondContact CZ3-O 3.35Å; W25-R90 WeakPolarHBondContact O-CA 3.42Å; W25-R90 VanDerWaalsContact O-O 3.12Å
26	M	96	Very high	92.6	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.02	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	115	167.7	-174.7	67.2	75.2	0	0	109	A16 Y19 F21 R42 I43 A71 C88	A16-M26 HydrophobicContact CB-CE 4.34Å; Y19-M26 VanDerWaalsContact OH-CE 3.27Å; Y19-M26 WeakPolarHBondContact OH-CE 3.28Å; F21-M26 HydrophobicContact CD2-CE 4.35Å; F21-M26 HydrophobicContact CE2-CE 3.88Å; M26-R42 CarbonylContact O-C 3.52Å; M26-R42 WeakPolarHBondContact O-CA 3.43Å; M26-R42 WeakPolarHBondContact O-CB 3.28Å; M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 2.93Å; M26-I43 PolarHBondContact O-N 3.48Å; M26-A71 HydrophobicContact CB-CB 4.17Å; M26-A71 HydrophobicContact CE-CB 4.42Å; M26-A71 HydrophobicContact CG-CB 3.7Å; M26-C88 HydrophobicContact CG-CB 4.38Å; M26-C88 HydrophobicContact SD-CB 3.75Å
27	N	96.7	Very high	92.7	Very high	10 Å²	10	56.8 Å²	56.8	5%	0.053	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	149.1	176.9	-59	-91.2	0	0	0	110.3	W39 G41 R42 C88 A89 R90 L92	N27-W39 PolarHBondContact OD1-NE1 3.25Å; N27-W39 VanDerWaalsContact OD1-NE1 3.12Å; N27-G41 CarbonylContact C-O 3.55Å; N27-G41 WeakPolarHBondContact CA-O 3.37Å; N27-R42 HydrophobicContact CB-CB 4.45Å; N27-R42 WeakPolarHBondContact OD1-CB 3.35Å; N27-C88 CarbonylContact O-C 3.5Å; N27-C88 WeakPolarHBondContact O-CA 3.47Å; N27-A89 WeakPolarHBondContact CA-O 3.33Å; N27-A89 HydrophobicContact CB-CB 4.48Å; N27-A89 VanDerWaalsContact CB-O 3.27Å; N27-A89 WeakPolarHBondContact CB-O 3.02Å; N27-A89 PolarHBondContact N-O 3.12Å; N27-A89 PolarHBondContact ND2-O 3.03Å; N27-A89 PolarHBondContact O-N 2.86Å; N27-R90 PolarHBondContact ND2-O 3.26Å; N27-L92 HydrophobicContact CB-CD1 3.74Å; N27-L92 HydrophobicContact CB-CG 4.18Å
28	W	97.5	Very high	92.9	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.008	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.9	172.5	-69.7	91.4	0	0	0	109.9	I12 C14 I40 G41 L62 A71 M73 F87 C88	I12-W28 HydrophobicContact CB-CH2 4.4Å; I12-W28 HydrophobicContact CB-CZ3 4.17Å; I12-W28 HydrophobicContact CG2-CH2 4.04Å; I12-W28 HydrophobicContact CG2-CZ3 3.67Å; C14-W28 HydrophobicContact CB-CH2 3.74Å; C14-W28 HydrophobicContact CB-CZ2 4.01Å; W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.47Å; W28-I40 PolarHBondContact O-N 3.49Å; W28-G41 PolarHBondContact N-O 2.93Å; W28-L62 HydrophobicContact CB-CD2 4.5Å; W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 3.97Å; W28-A71 HydrophobicContact CZ2-CB 4.16Å; W28-M73 HydrophobicContact CB-SD 3.86Å; W28-M73 HydrophobicContact CD2-CB 3.61Å; W28-M73 HydrophobicContact CD2-CE 4.42Å; W28-M73 HydrophobicContact CD2-CG 4.4Å; W28-M73 HydrophobicContact CD2-SD 4.03Å; W28-M73 HydrophobicContact CE3-CB 3.79Å; W28-M73 HydrophobicContact CE3-CE 3.78Å; W28-M73 HydrophobicContact CE3-SD 4Å; W28-M73 HydrophobicContact CG-CB 4.16Å; W28-M73 HydrophobicContact CG-SD 4Å; W28-M73 HydrophobicContact CH2-CB 4.03Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4Å; W28-M73 HydrophobicContact CZ3-CE 4.26Å; W28-F87 CarbonylContact C-O 3.36Å; W28-F87 WeakPolarHBondContact CA-O 2.98Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.28Å; W28-C88 HydrophobicContact CH2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.23Å
29	V	96.7	Very high	93.3	Very high	3 Å²	3	53 Å²	53	2%	0.018	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	136.2	-172.7	-175.9	0	0	0	0	109.4	L37 E38 Y86 F87 L92 W97	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.35Å; V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.5Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.07Å; V29-F87 PolarHBondContact N-O 2.8Å; V29-F87 PolarHBondContact O-N 2.92Å; V29-L92 HydrophobicContact CG2-CD1 4.14Å; V29-L92 HydrophobicContact CG2-CD2 4.44Å; V29-W97 HydrophobicContact CB-CH2 4.33Å; V29-W97 HydrophobicContact CB-CZ3 3.93Å; V29-W97 HydrophobicContact CG1-CH2 4.25Å; V29-W97 HydrophobicContact CG1-CZ3 4.15Å; V29-W97 HydrophobicContact CG2-CH2 3.94Å; V29-W97 HydrophobicContact CG2-CZ3 3.84Å
30	K	96.3	Very high	93.8	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.009	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	136.8	174	-177.2	177.2	-177.7	173.1	0	109.5	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 3.18Å; K30-E38 PolarHBondContact O-N 2.93Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.15Å; K30-F56 HydrophobicContact CB-CZ 4.45Å; K30-F56 HydrophobicContact CD-CE1 3.91Å; K30-F56 HydrophobicContact CD-CZ 4.03Å; K30-E81 PolarHBondContact NZ-O 2.91Å; K30-D82 IonicContact NZ-OD1 3.56Å; K30-D82 PolarHBondContact NZ-OD1 3.43Å; K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.56Å; K30-Y86 HydrophobicContact CB-CD1 4.13Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.9Å; K30-Y86 WeakPolarHBondContact CE-OH 3.18Å; K30-Y86 HydrophobicContact CG-CD1 4.28Å; K30-Y86 HydrophobicContact CG-CE1 3.73Å
31	Q	95.8	Very high	94.1	Very high	75 Å²	75	47.2 Å²	47.2	35%	0.35	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	114.9	170.2	-167	-178.7	32.7	0	0	109.8	L37 A84 V85 F87	Q31-L37 HydrophobicContact CB-CD2 3.82Å; Q31-L37 HydrophobicContact CG-CD2 3.87Å; Q31-A84 WeakPolarHBondContact O-CA 3.01Å; Q31-A84 WeakPolarHBondContact O-CB 3.35Å; Q31-V85 PolarHBondContact N-O 3.22Å; Q31-V85 PolarHBondContact O-N 3.44Å; Q31-F87 HydrophobicContact CB-CD2 4.34Å; Q31-F87 HydrophobicContact CB-CE2 3.76Å
32	R	93.4	Very high	94.3	Very high	47 Å²	47	51.4 Å²	51.4	18%	0.177	29%	0.291	C	S	.	.			trans	-86	145.9	170.7	-69.2	177.1	173.6	159.2	2.2	109.8	G34 R35 E81 A84	R32-G34 PolarHBondContact O-N 2.86Å; R32-R35 HydrophobicContact CB-CB 4.05Å; R32-R35 HydrophobicContact CB-CG 4.23Å; R32-R35 PolarHBondContact O-N 2.86Å; R32-E81 PolarHBondContact NE-O 2.81Å; R32-E81 VanDerWaalsContact NE-O 3.09Å; R32-E81 PolarHBondContact NH2-O 2.77Å; R32-E81 IonicContact NH2-OE2 3.38Å; R32-A84 HydrophobicContact CG-CB 4.22Å
33	P	88.3	Confident	94.4	Very high	119 Å²	119	48.8 Å²	48.8	77%	0.773	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	129.9	172.8	-25.5	34.4	0	0	0	111.3	R35	P33-R35 PolarHBondContact O-N 2.8Å
34	G	89.6	Confident	94.6	Very high	93 Å²	93	48.5 Å²	48.5	96%	0.959	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	8.2	-179.5	0	0	0	0	0	115.7	R32	R32-G34 PolarHBondContact O-N 2.86Å
35	R	90.6	Very high	94.9	Very high	156 Å²	156	47.7 Å²	47.7	59%	0.589	26%	0.256	S	S	*	.	S	Bend	trans	-120.9	162.7	175.2	-61.6	-169.4	174.1	-163.4	1.9	111.8	R32 P33	R32-R35 HydrophobicContact CB-CB 4.05Å; R32-R35 HydrophobicContact CB-CG 4.23Å; R32-R35 PolarHBondContact O-N 2.86Å; P33-R35 PolarHBondContact O-N 2.8Å
36	G	90.6	Very high	94.9	Very high	56 Å²	56	45.6 Å²	45.6	58%	0.577	26%	0.256	S	S	*	.			trans	-67.7	173.3	174	0	0	0	0	0	113.4
37	L	93.6	Very high	94.9	Very high	96 Å²	96	51 Å²	51	50%	0.503	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	131.1	174.5	-64.3	173	0	0	0	110.6	V29 Q31 W97	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.35Å; Q31-L37 HydrophobicContact CB-CD2 3.82Å; Q31-L37 HydrophobicContact CG-CD2 3.87Å; L37-W97 HydrophobicContact CD1-CH2 3.85Å; L37-W97 HydrophobicContact CD1-CZ2 4.34Å
38	E	95.4	Very high	94.9	Very high	39 Å²	39	52.4 Å²	52.4	18%	0.182	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	112.1	175.4	-63.8	-172.5	86.9	0	0	109.5	V29 K30 I40 K55 F56	V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.5Å; K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 3.18Å; K30-E38 PolarHBondContact O-N 2.93Å; E38-I40 PolarHBondContact O-N 3.05Å; E38-K55 IonicContact OE1-NZ 3.75Å; E38-F56 HydrophobicContact CB-CE2 4.37Å; E38-F56 HydrophobicContact CB-CZ 4.29Å
39	W	95.9	Very high	94.8	Very high	68 Å²	68	56.5 Å²	56.5	26%	0.258	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	126.7	175.5	-177.2	78.9	0	0	0	110.5	N27 G41 R42 N51 N53 L92	N27-W39 PolarHBondContact OD1-NE1 3.25Å; N27-W39 VanDerWaalsContact OD1-NE1 3.12Å; W39-G41 VanDerWaalsContact CZ2-CA 3.41Å; W39-G41 PolarHBondContact NE1-O 2.66Å; W39-R42 HydrophobicContact CZ2-CB 3.97Å; W39-R42 HydrophobicContact CZ2-CG 3.82Å; W39-N51 HydrophobicContact CH2-CB 4.37Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.11Å; W39-N53 HydrophobicContact CE3-CB 3.79Å; W39-N53 HydrophobicContact CZ3-CB 4Å; W39-N53 WeakPolarHBondContact O-CB 3.39Å; W39-N53 PolarHBondContact O-ND2 3Å; W39-L92 VanDerWaalsContact CD1-CD1 3.45Å
40	I	97.2	Very high	94.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-47.7	-177	-60.3	173.7	0	0	0	110.1	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.47Å; W28-I40 PolarHBondContact O-N 3.49Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.15Å; E38-I40 PolarHBondContact O-N 3.05Å; I40-N53 WeakPolarHBondContact O-CB 3.4Å; I40-N53 PolarHBondContact O-N 2.86Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.21Å; I40-F56 HydrophobicContact CG1-CD1 4.15Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.1Å; I40-F56 HydrophobicContact CG1-CE2 4.18Å; I40-F56 HydrophobicContact CG1-CG 4.23Å; I40-F56 HydrophobicContact CG1-CZ 4.11Å; I40-F56 HydrophobicContact CG2-CB 3.72Å; I40-F56 HydrophobicContact CG2-CD1 4.11Å; I40-F56 HydrophobicContact CG2-CD2 4.34Å; I40-F56 HydrophobicContact CG2-CG 3.81Å; I40-A60 HydrophobicContact CG2-CB 3.73Å; I40-M73 HydrophobicContact CD1-CE 3.97Å; I40-M73 HydrophobicContact CD1-SD 3.53Å; I40-M73 VanDerWaalsContact CD1-SD 3.53Å; I40-M73 HydrophobicContact CG2-SD 4.02Å; I40-Y86 HydrophobicContact CD1-CD1 3.73Å; I40-Y86 HydrophobicContact CD1-CE1 3.88Å
41	G	97.2	Very high	94.9	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.6	-179.2	-173.1	0	0	0	0	0	111.7	N27 W28 W39 N51	N27-G41 CarbonylContact C-O 3.55Å; N27-G41 WeakPolarHBondContact CA-O 3.37Å; W28-G41 PolarHBondContact N-O 2.93Å; W39-G41 VanDerWaalsContact CZ2-CA 3.41Å; W39-G41 PolarHBondContact NE1-O 2.66Å; G41-N51 CarbonylContact C-O 3.57Å; G41-N51 WeakPolarHBondContact CA-O 3.25Å
42	R	97.1	Very high	95	Very high	92 Å²	92	61.4 Å²	61.4	35%	0.347	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	155	174.2	68	-176.5	-174.2	-170.1	0.2	111.4	W25 M26 N27 W39 T50 N51	W25-R42 HydrophobicContact CD2-CG 4.27Å; W25-R42 HydrophobicContact CE3-CB 4Å; W25-R42 HydrophobicContact CE3-CG 3.46Å; W25-R42 VanDerWaalsContact CE3-CG 3.46Å; W25-R42 HydrophobicContact CZ3-CG 3.76Å; M26-R42 CarbonylContact O-C 3.52Å; M26-R42 WeakPolarHBondContact O-CA 3.43Å; M26-R42 WeakPolarHBondContact O-CB 3.28Å; N27-R42 HydrophobicContact CB-CB 4.45Å; N27-R42 WeakPolarHBondContact OD1-CB 3.35Å; W39-R42 HydrophobicContact CZ2-CB 3.97Å; W39-R42 HydrophobicContact CZ2-CG 3.82Å; R42-T50 WeakPolarHBondContact O-CA 3.46Å; R42-N51 HydrophobicContact CG-CB 4.17Å; R42-N51 PolarHBondContact N-O 2.96Å; R42-N51 PolarHBondContact O-N 2.97Å
43	I	97.6	Very high	95.1	Very high	5 Å²	5	61.4 Å²	61.4	3%	0.026	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	140	173.7	-176.9	166.1	0	0	0	109.9	M26 P45 D49 T50 L62 A64	M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 2.93Å; M26-I43 PolarHBondContact O-N 3.48Å; I43-P45 WeakPolarHBondContact O-CD 3.44Å; I43-D49 CarbonylContact C-O 3.56Å; I43-D49 VanDerWaalsContact CA-O 3.3Å; I43-D49 WeakPolarHBondContact CA-O 3.39Å; I43-T50 HydrophobicContact CB-CG2 3.98Å; I43-T50 HydrophobicContact CD1-CG2 3.99Å; I43-T50 HydrophobicContact CG1-CG2 3.82Å; I43-L62 HydrophobicContact CB-CB 4.1Å; I43-L62 HydrophobicContact CB-CD1 4.47Å; I43-L62 HydrophobicContact CD1-CB 4.41Å; I43-L62 HydrophobicContact CG2-CB 4.4Å; I43-A64 HydrophobicContact CD1-CB 3.95Å
44	Y	96.6	Very high	95.3	Very high	60 Å²	60	58.7 Å²	58.7	24%	0.235	35%	0.347	C	S	.	.			trans	-98.4	108.3	167.7	-167.6	-109.2	0	0	0	108.4	S23 W25 G46 D47 G48 D49	S23-Y44 VanDerWaalsContact C-CE2 3.41Å; S23-Y44 WeakPolarHBondContact CA-OH 3.18Å; W25-Y44 AromaticContact CD1-CD2 3.94Å; W25-Y44 AromaticContact CD2-CD2 3.88Å; W25-Y44 HydrophobicContact CD2-CD2 3.88Å; W25-Y44 HydrophobicContact CD2-CG 4.31Å; W25-Y44 AromaticContact CE2-CD2 3.77Å; W25-Y44 HydrophobicContact CE3-CD2 4.49Å; W25-Y44 VanDerWaalsContact CE3-N 3.27Å; W25-Y44 HydrophobicContact CG-CD2 4Å; W25-Y44 HydrophobicContact CH2-CG 4.49Å; W25-Y44 HydrophobicContact CZ2-CD2 4.31Å; W25-Y44 HydrophobicContact CZ2-CG 4.22Å; W25-Y44 VanDerWaalsContact CZ3-CB 3.49Å; W25-Y44 AromaticContact NE1-CD2 3.79Å; Y44-G46 PolarHBondContact O-N 3.12Å; Y44-G46 VanDerWaalsContact O-N 3.12Å; Y44-D47 WeakPolarHBondContact CD1-OD1 3.24Å; Y44-G48 VanDerWaalsContact O-CA 3.26Å; Y44-G48 WeakPolarHBondContact O-CA 3.24Å; Y44-G48 PolarHBondContact O-N 2.88Å; Y44-D49 PolarHBondContact N-O 2.82Å
45	P	96.4	Very high	95.4	Very high	5 Å²	5	61.7 Å²	61.7	3%	0.032	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.7	-172.9	-23.7	35.9	0	0	0	114.6	F21 S24 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.86Å; F21-P45 HydrophobicContact CD1-CG 4.09Å; F21-P45 HydrophobicContact CD2-CG 4.09Å; F21-P45 HydrophobicContact CE1-CB 3.47Å; F21-P45 VanDerWaalsContact CE1-CB 3.47Å; F21-P45 HydrophobicContact CE1-CG 3.65Å; F21-P45 HydrophobicContact CE2-CB 4.4Å; F21-P45 HydrophobicContact CE2-CG 3.65Å; F21-P45 HydrophobicContact CG-CB 4.5Å; F21-P45 HydrophobicContact CG-CG 4.32Å; F21-P45 HydrophobicContact CZ-CB 3.78Å; F21-P45 HydrophobicContact CZ-CG 3.41Å; F21-P45 VanDerWaalsContact CZ-CG 3.41Å; F21-P45 WeakPolarHBondContact O-CG 3.2Å; S24-P45 WeakPolarHBondContact O-CD 3.39Å; I43-P45 WeakPolarHBondContact O-CD 3.44Å; P45-A64 HydrophobicContact CB-CB 3.75Å; P45-A64 HydrophobicContact CG-CB 4.07Å; P45-K66 VanDerWaalsContact O-CD 3.27Å; P45-K66 WeakPolarHBondContact O-CD 3.05Å; P45-K66 WeakPolarHBondContact O-CG 3.23Å
46	G	95.3	Very high	95.6	Very high	25 Å²	25	54.9 Å²	54.9	26%	0.258	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-55.2	-178.6	0	0	0	0	0	112.7	S22 Y44 K66	S22-G46 WeakPolarHBondContact O-CA 3.5Å; S22-G46 PolarHBondContact O-N 3.1Å; S22-G46 VanDerWaalsContact O-N 3.08Å; Y44-G46 PolarHBondContact O-N 3.12Å; Y44-G46 VanDerWaalsContact O-N 3.12Å; G46-K66 PolarHBondContact O-NZ 2.93Å
47	D	95.6	Very high	95.7	Very high	119 Å²	119	60.1 Å²	60.1	64%	0.636	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	-9.9	-177.5	56.2	19.1	0	0	0	113.5	Y44 D49	Y44-D47 WeakPolarHBondContact CD1-OD1 3.24Å; D47-D49 WeakPolarHBondContact OD1-CB 3.27Å; D47-D49 PolarHBondContact OD1-N 3.41Å
48	G	95.6	Very high	95.6	Very high	39 Å²	39	58.7 Å²	58.7	40%	0.402	32%	0.324	S	S	.	.			trans	83.6	12.2	-178.3	0	0	0	0	0	114	Y44	Y44-G48 VanDerWaalsContact O-CA 3.26Å; Y44-G48 WeakPolarHBondContact O-CA 3.24Å; Y44-G48 PolarHBondContact O-N 2.88Å
49	D	96.9	Very high	95.6	Very high	87 Å²	87	58.7 Å²	58.7	47%	0.465	32%	0.324	S	S	.	.			trans	-60	139.2	176.5	-172.8	23.2	0	0	0	110.7	W25 I43 Y44 D47	W25-D49 HydrophobicContact CH2-CB 3.97Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.46Å; W25-D49 WeakPolarHBondContact CZ3-O 3.35Å; I43-D49 CarbonylContact C-O 3.56Å; I43-D49 VanDerWaalsContact CA-O 3.3Å; I43-D49 WeakPolarHBondContact CA-O 3.39Å; Y44-D49 PolarHBondContact N-O 2.82Å; D47-D49 WeakPolarHBondContact OD1-CB 3.27Å; D47-D49 PolarHBondContact OD1-N 3.41Å
50	T	97.6	Very high	95.6	Very high	48 Å²	48	55.7 Å²	55.7	29%	0.294	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	139.4	-176.6	54.9	0	0	0	0	111.6	R42 I43 Y52 L62	R42-T50 WeakPolarHBondContact O-CA 3.46Å; I43-T50 HydrophobicContact CB-CG2 3.98Å; I43-T50 HydrophobicContact CD1-CG2 3.99Å; I43-T50 HydrophobicContact CG1-CG2 3.82Å; T50-Y52 HydrophobicContact CG2-CE2 4.47Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.18Å; T50-L62 HydrophobicContact CG2-CB 4.15Å
51	N	96.6	Very high	95.6	Very high	78 Å²	78	59 Å²	59	42%	0.417	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137	170.9	-174.3	-126.7	0	0	0	109.7	W39 G41 R42	W39-N51 HydrophobicContact CH2-CB 4.37Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.11Å; G41-N51 CarbonylContact C-O 3.57Å; G41-N51 WeakPolarHBondContact CA-O 3.25Å; R42-N51 HydrophobicContact CG-CB 4.17Å; R42-N51 PolarHBondContact N-O 2.96Å; R42-N51 PolarHBondContact O-N 2.97Å
52	Y	97.2	Very high	95.7	Very high	57 Å²	57	59.4 Å²	59.4	22%	0.224	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	147.7	-174.4	-66.5	-91.4	0	0	0	110.5	T50 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.47Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.18Å; Y52-A60 HydrophobicContact CE1-CB 4.46Å; Y52-A60 VanDerWaalsContact CE1-O 3.23Å; Y52-A60 WeakPolarHBondContact CE1-O 3.45Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 2.72Å
53	N	95.8	Very high	95.7	Very high	48 Å²	48	58 Å²	58	26%	0.257	34%	0.337	S	S	.	.			trans	-70.6	134.6	158.1	-178	-23.6	0	0	0	108.8	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.79Å; W39-N53 HydrophobicContact CZ3-CB 4Å; W39-N53 WeakPolarHBondContact O-CB 3.39Å; W39-N53 PolarHBondContact O-ND2 3Å; I40-N53 WeakPolarHBondContact O-CB 3.4Å; I40-N53 PolarHBondContact O-N 2.86Å; N53-K55 PolarHBondContact O-N 2.9Å; N53-K55 PolarHBondContact OD1-N 3.18Å; N53-K55 VanDerWaalsContact OD1-N 3.17Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.91Å; N53-K57 PolarHBondContact O-N 3.45Å
54	G	93.8	Very high	95.7	Very high	61 Å²	61	59.5 Å²	59.5	63%	0.629	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-51.9	-34	-178.5	0	0	0	0	0	113.9	F56 K57	G54-F56 PolarHBondContact O-N 3.02Å; G54-K57 PolarHBondContact O-N 3.27Å
55	K	91.9	Very high	95.7	Very high	156 Å²	156	59.2 Å²	59.2	68%	0.678	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-62	-27.6	177.5	-68.5	-177.1	178.1	179.9	0	114.3	E38 N53	E38-K55 IonicContact OE1-NZ 3.75Å; N53-K55 PolarHBondContact O-N 2.9Å; N53-K55 PolarHBondContact OD1-N 3.18Å; N53-K55 VanDerWaalsContact OD1-N 3.17Å
56	F	94.3	Very high	95.7	Very high	13 Å²	13	64.8 Å²	64.8	6%	0.057	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-109.6	-1.4	-174.7	-62.3	-85	0	0	0	112.8	K30 E38 I40 N53 G54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.45Å; 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 4.28Å; I40-F56 HydrophobicContact CB-CG 4.21Å; I40-F56 HydrophobicContact CG1-CD1 4.15Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.1Å; I40-F56 HydrophobicContact CG1-CE2 4.18Å; I40-F56 HydrophobicContact CG1-CG 4.23Å; I40-F56 HydrophobicContact CG1-CZ 4.11Å; I40-F56 HydrophobicContact CG2-CB 3.72Å; I40-F56 HydrophobicContact CG2-CD1 4.11Å; I40-F56 HydrophobicContact CG2-CD2 4.34Å; I40-F56 HydrophobicContact CG2-CG 3.81Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.91Å; G54-F56 PolarHBondContact O-N 3.02Å; F56-G58 PolarHBondContact O-N 2.7Å; F56-K59 WeakPolarHBondContact O-CB 3.11Å; F56-K59 PolarHBondContact O-N 3.04Å; F56-A60 HydrophobicContact CB-CB 4.46Å; F56-A60 PolarHBondContact O-N 3.18Å
57	K	92	Very high	95.6	Very high	166 Å²	166	68.8 Å²	68.8	72%	0.722	40%	0.4	S	S	*	.	B	Isolated β-bridge	trans	-62.8	124	175.8	-165.9	174.1	-176.2	179.2	0	109.2	N53 G54 K59	N53-K57 PolarHBondContact O-N 3.45Å; G54-K57 PolarHBondContact O-N 3.27Å; K57-K59 PolarHBondContact O-N 3.28Å
58	G	91.6	Very high	95.6	Very high	67 Å²	67	64.9 Å²	64.9	69%	0.691	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	-17.6	-175.1	0	0	0	0	0	114.9	F56	F56-G58 PolarHBondContact O-N 2.7Å
59	K	94.8	Very high	95.6	Very high	39 Å²	39	65 Å²	65	17%	0.17	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-39.4	173.5	-175.3	67	175.1	-169.3	0	112.3	F56 K57 L75 S76 S77 D82	F56-K59 WeakPolarHBondContact O-CB 3.11Å; F56-K59 PolarHBondContact O-N 3.04Å; K57-K59 PolarHBondContact O-N 3.28Å; K59-L75 HydrophobicContact CG-CD2 4.45Å; K59-L75 WeakPolarHBondContact O-CA 3.41Å; K59-S76 VanDerWaalsContact CD-O 3.25Å; K59-S76 WeakPolarHBondContact CD-O 3.47Å; K59-S76 WeakPolarHBondContact CE-O 3.43Å; K59-S76 PolarHBondContact NZ-O 2.95Å; K59-S76 PolarHBondContact O-N 2.79Å; K59-S76 PolarHBondContact O-OG 2.95Å; K59-S77 VanDerWaalsContact NZ-C 3.35Å; K59-S77 PolarHBondContact NZ-O 3.3Å; K59-D82 WeakPolarHBondContact CE-OD1 3.42Å; K59-D82 WeakPolarHBondContact CE-OD2 3.29Å; K59-D82 IonicContact NZ-OD1 3.97Å; K59-D82 IonicContact NZ-OD2 2.72Å; K59-D82 PolarHBondContact NZ-OD2 2.85Å
60	A	97.1	Very high	95.7	Very high	4 Å²	4	61.3 Å²	61.3	3%	0.033	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.3	-179.6	0	0	0	0	0	110.9	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 3.23Å; Y52-A60 WeakPolarHBondContact CE1-O 3.45Å; F56-A60 HydrophobicContact CB-CB 4.46Å; F56-A60 PolarHBondContact O-N 3.18Å; A60-M73 HydrophobicContact CB-CG 4.33Å; A60-M73 HydrophobicContact CB-SD 4.47Å; A60-Q74 CarbonylContact C-O 3.55Å; A60-Q74 WeakPolarHBondContact CA-O 3.45Å; A60-L75 HydrophobicContact CB-CD2 3.93Å
61	T	97.9	Very high	95.7	Very high	70 Å²	70	59 Å²	59	43%	0.429	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121	169.3	-59.4	0	0	0	0	108.7	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.4Å; T61-M73 WeakPolarHBondContact O-CA 3.15Å; T61-Q74 PolarHBondContact N-O 3.26Å; T61-Q74 PolarHBondContact O-N 3.01Å
62	L	98.1	Very high	95.7	Very high	8 Å²	8	57.6 Å²	57.6	4%	0.042	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	132.5	179.2	-52.4	-176.3	0	0	0	110.3	W28 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CB-CD2 4.5Å; W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 3.97Å; I43-L62 HydrophobicContact CB-CB 4.1Å; I43-L62 HydrophobicContact CB-CD1 4.47Å; I43-L62 HydrophobicContact CD1-CB 4.41Å; I43-L62 HydrophobicContact CG2-CB 4.4Å; T50-L62 HydrophobicContact CG2-CB 4.15Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 2.72Å; L62-Y72 WeakPolarHBondContact CA-O 3.27Å; L62-M73 HydrophobicContact CD2-CB 3.74Å; L62-M73 HydrophobicContact CD2-CG 3.69Å; L62-M73 HydrophobicContact CD2-SD 4.27Å
63	T	97.9	Very high	95.8	Very high	63 Å²	63	54.9 Å²	54.9	39%	0.387	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	163.9	174.8	56.3	0	0	0	0	110.3	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.4Å; T63-Y72 PolarHBondContact N-O 2.81Å; T63-Y72 PolarHBondContact O-N 2.87Å
64	A	97.6	Very high	95.8	Very high	36 Å²	36	56.8 Å²	56.8	30%	0.298	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	143.1	177	0	0	0	0	0	110.9	F21 I43 P45 T70	F21-A64 HydrophobicContact CE1-CB 4.13Å; F21-A64 HydrophobicContact CZ-CB 3.99Å; I43-A64 HydrophobicContact CD1-CB 3.95Å; P45-A64 HydrophobicContact CB-CB 3.75Å; P45-A64 HydrophobicContact CG-CB 4.07Å; A64-T70 WeakPolarHBondContact CA-O 3.48Å
65	D	96.6	Very high	96	Very high	55 Å²	55	53.9 Å²	53.9	29%	0.294	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	111.2	170.3	174.2	9.9	0	0	0	108.9	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 PolarHBondContact O-N 2.86Å; D65-S67 WeakPolarHBondContact OD1-CB 3.43Å; D65-S67 PolarHBondContact OD1-N 3.14Å; D65-S67 PolarHBondContact OD1-OG 3.37Å; D65-S67 PolarHBondContact OD2-OG 2.99Å; D65-S68 WeakPolarHBondContact CB-OG 3.33Å; D65-S68 WeakPolarHBondContact OD2-CB 3.33Å; D65-S68 PolarHBondContact OD2-OG 2.88Å; D65-S69 WeakPolarHBondContact O-CA 3.49Å; D65-S69 PolarHBondContact O-N 3.49Å; D65-S69 VanDerWaalsContact O-N 3.1Å; D65-T70 PolarHBondContact N-O 2.76Å; D65-T70 PolarHBondContact O-N 3.18Å; D65-Y72 HydrophobicContact CB-CE2 3.95Å
66	K	94.8	Very high	96.1	Very high	122 Å²	122	48 Å²	48	53%	0.53	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-34	-179.7	-71.6	-178.4	-89.5	-163.5	0	112.1	P45 G46 S69	P45-K66 VanDerWaalsContact O-CD 3.27Å; P45-K66 WeakPolarHBondContact O-CD 3.05Å; P45-K66 WeakPolarHBondContact O-CG 3.23Å; G46-K66 PolarHBondContact O-NZ 2.93Å; K66-S69 PolarHBondContact O-N 2.96Å
67	S	93.9	Very high	96.2	Very high	108 Å²	108	51 Å²	51	76%	0.755	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-40.3	-175.7	71.5	0	0	0	0	111.8	D65	D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 PolarHBondContact O-N 2.86Å; D65-S67 WeakPolarHBondContact OD1-CB 3.43Å; D65-S67 PolarHBondContact OD1-N 3.14Å; D65-S67 PolarHBondContact OD1-OG 3.37Å; D65-S67 PolarHBondContact OD2-OG 2.99Å
68	S	95.9	Very high	96.3	Very high	38 Å²	38	43.2 Å²	43.2	27%	0.266	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	1.1	177.6	63.9	0	0	0	0	113.7	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.33Å; D65-S68 WeakPolarHBondContact OD2-CB 3.33Å; D65-S68 PolarHBondContact OD2-OG 2.88Å; S68-T70 PolarHBondContact O-N 3.03Å; S68-T70 PolarHBondContact O-OG1 2.81Å; S68-T70 WeakPolarHBondContact OG-CB 3.14Å; S68-T70 PolarHBondContact OG-OG1 3.12Å
69	S	96.3	Very high	96.4	Very high	40 Å²	40	42.9 Å²	42.9	28%	0.28	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	41.5	-172.9	-63.5	0	0	0	0	112.9	A16 F21 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.32Å; A16-S69 PolarHBondContact N-O 2.84Å; F21-S69 VanDerWaalsContact CD1-CA 3.48Å; D65-S69 WeakPolarHBondContact O-CA 3.49Å; D65-S69 PolarHBondContact O-N 3.49Å; D65-S69 VanDerWaalsContact O-N 3.1Å; K66-S69 PolarHBondContact O-N 2.96Å
70	T	97.4	Very high	96.3	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	-121.9	125.5	-173	-57.6	0	0	0	0	110.8	C14 A64 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.4Å; A64-T70 WeakPolarHBondContact CA-O 3.48Å; D65-T70 PolarHBondContact N-O 2.76Å; D65-T70 PolarHBondContact O-N 3.18Å; S68-T70 PolarHBondContact O-N 3.03Å; S68-T70 PolarHBondContact O-OG1 2.81Å; S68-T70 WeakPolarHBondContact OG-CB 3.14Å; S68-T70 PolarHBondContact OG-OG1 3.12Å; T70-Y72 HydrophobicContact CG2-CD1 4.19Å; T70-Y72 HydrophobicContact CG2-CE1 3.56Å; T70-Y72 HydrophobicContact CG2-CE2 3.9Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.01Å
71	A	97.4	Very high	96.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	150.9	168.7	0	0	0	0	0	109.9	S13 C14 F21 M26 W28	S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.29Å; C14-A71 PolarHBondContact N-O 3.09Å; C14-A71 PolarHBondContact O-N 2.86Å; F21-A71 HydrophobicContact CE2-CB 4.13Å; F21-A71 HydrophobicContact CZ-CB 3.95Å; M26-A71 HydrophobicContact CB-CB 4.17Å; M26-A71 HydrophobicContact CE-CB 4.42Å; M26-A71 HydrophobicContact CG-CB 3.7Å; W28-A71 HydrophobicContact CZ2-CB 4.16Å
72	Y	97.9	Very high	95.9	Very high	49 Å²	49	47.4 Å²	47.4	19%	0.192	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	143.9	178	-53.6	-85.7	0	0	0	111	K11 I12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.3Å; K11-Y72 VanDerWaalsContact CE-CB 3.45Å; K11-Y72 HydrophobicContact CG-CD1 4.27Å; I12-Y72 CarbonylContact O-C 3.53Å; I12-Y72 VanDerWaalsContact O-CA 3.23Å; I12-Y72 WeakPolarHBondContact O-CA 2.99Å; S13-Y72 VanDerWaalsContact CB-CD1 3.49Å; S13-Y72 VanDerWaalsContact CB-CE1 3.5Å; L62-Y72 WeakPolarHBondContact CA-O 3.27Å; T63-Y72 PolarHBondContact N-O 2.81Å; T63-Y72 PolarHBondContact O-N 2.87Å; D65-Y72 HydrophobicContact CB-CE2 3.95Å; T70-Y72 HydrophobicContact CG2-CD1 4.19Å; T70-Y72 HydrophobicContact CG2-CE1 3.56Å; T70-Y72 HydrophobicContact CG2-CE2 3.9Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.01Å
73	M	97.9	Very high	95.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	118.8	167.4	175.1	178.2	72.3	0	0	108.4	I12 W28 I40 A60 T61 L62 L75 Y86	I12-M73 HydrophobicContact CD1-CE 3.82Å; I12-M73 PolarHBondContact N-O 2.96Å; I12-M73 PolarHBondContact O-N 2.79Å; W28-M73 HydrophobicContact CB-SD 3.86Å; W28-M73 HydrophobicContact CD2-CB 3.61Å; W28-M73 HydrophobicContact CD2-CE 4.42Å; W28-M73 HydrophobicContact CD2-CG 4.4Å; W28-M73 HydrophobicContact CD2-SD 4.03Å; W28-M73 HydrophobicContact CE3-CB 3.79Å; W28-M73 HydrophobicContact CE3-CE 3.78Å; W28-M73 HydrophobicContact CE3-SD 4Å; W28-M73 HydrophobicContact CG-CB 4.16Å; W28-M73 HydrophobicContact CG-SD 4Å; W28-M73 HydrophobicContact CH2-CB 4.03Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4Å; W28-M73 HydrophobicContact CZ3-CE 4.26Å; I40-M73 HydrophobicContact CD1-CE 3.97Å; I40-M73 HydrophobicContact CD1-SD 3.53Å; I40-M73 VanDerWaalsContact CD1-SD 3.53Å; I40-M73 HydrophobicContact CG2-SD 4.02Å; A60-M73 HydrophobicContact CB-CG 4.33Å; A60-M73 HydrophobicContact CB-SD 4.47Å; T61-M73 WeakPolarHBondContact O-CA 3.15Å; L62-M73 HydrophobicContact CD2-CB 3.74Å; L62-M73 HydrophobicContact CD2-CG 3.69Å; L62-M73 HydrophobicContact CD2-SD 4.27Å; M73-L75 HydrophobicContact CE-CD1 4Å; M73-L75 HydrophobicContact CE-CD2 4.39Å; M73-L75 HydrophobicContact CE-CG 4.12Å; M73-L75 HydrophobicContact CG-CD2 4.44Å; M73-L75 HydrophobicContact CG-CG 4.38Å; M73-L75 HydrophobicContact SD-CD2 4.26Å; M73-L75 HydrophobicContact SD-CG 4.49Å; M73-Y86 HydrophobicContact CE-CD1 3.47Å; M73-Y86 VanDerWaalsContact CE-CD1 3.47Å; M73-Y86 HydrophobicContact CE-CE1 4.12Å; M73-Y86 HydrophobicContact CE-CG 3.98Å
74	Q	97.6	Very high	95.7	Very high	88 Å²	88	46 Å²	46	41%	0.411	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	123.6	170.6	-175.8	173.2	-3.2	0	0	109.1	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.17Å; A60-Q74 CarbonylContact C-O 3.55Å; A60-Q74 WeakPolarHBondContact CA-O 3.45Å; T61-Q74 PolarHBondContact N-O 3.26Å; T61-Q74 PolarHBondContact O-N 3.01Å
75	L	96.6	Very high	95.7	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.6	171.9	-66.5	168.8	0	0	0	108.7	S9 V10 I12 K59 A60 M73 L78 Y86 L103	S9-L75 CarbonylContact C-O 3.48Å; S9-L75 WeakPolarHBondContact CA-O 3.48Å; S9-L75 WeakPolarHBondContact CB-O 3.3Å; V10-L75 HydrophobicContact CG1-CB 4.04Å; V10-L75 HydrophobicContact CG1-CD1 4.31Å; V10-L75 PolarHBondContact N-O 2.85Å; V10-L75 PolarHBondContact O-N 2.8Å; I12-L75 HydrophobicContact CD1-CD1 4.31Å; K59-L75 HydrophobicContact CG-CD2 4.45Å; K59-L75 WeakPolarHBondContact O-CA 3.41Å; A60-L75 HydrophobicContact CB-CD2 3.93Å; M73-L75 HydrophobicContact CE-CD1 4Å; M73-L75 HydrophobicContact CE-CD2 4.39Å; M73-L75 HydrophobicContact CE-CG 4.12Å; M73-L75 HydrophobicContact CG-CD2 4.44Å; M73-L75 HydrophobicContact CG-CG 4.38Å; M73-L75 HydrophobicContact SD-CD2 4.26Å; M73-L75 HydrophobicContact SD-CG 4.49Å; L75-L78 HydrophobicContact CB-CD2 3.74Å; L75-L78 HydrophobicContact CD1-CD2 4.31Å; L75-Y86 HydrophobicContact CD1-CD1 4.23Å; L75-Y86 HydrophobicContact CD1-CE1 3.63Å; L75-Y86 HydrophobicContact CD1-CE2 4.1Å; L75-L103 HydrophobicContact CD1-CD2 4.15Å
76	S	95.4	Very high	95.7	Very high	32 Å²	32	43.5 Å²	43.5	22%	0.224	25%	0.253	C	S	.	.			trans	-106.5	159.5	-178.9	56.8	0	0	0	0	112.5	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.01Å; K59-S76 VanDerWaalsContact CD-O 3.25Å; K59-S76 WeakPolarHBondContact CD-O 3.47Å; K59-S76 WeakPolarHBondContact CE-O 3.43Å; K59-S76 PolarHBondContact NZ-O 2.95Å; K59-S76 PolarHBondContact O-N 2.79Å; K59-S76 PolarHBondContact O-OG 2.95Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 3Å
77	S	94.8	Very high	95.8	Very high	77 Å²	77	39.2 Å²	39.2	54%	0.538	23%	0.234	S	C	.	.	S	Bend	trans	49.1	49.4	171.2	-56.1	0	0	0	0	112.9	A8 K59	A8-S77 PolarHBondContact O-N 2.02Å; K59-S77 VanDerWaalsContact NZ-C 3.35Å; K59-S77 PolarHBondContact NZ-O 3.3Å
78	L	94.9	Very high	95.9	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	20%	0.203	C	C	.	.			trans	-58.9	144.7	-170.5	-70.7	172.4	0	0	0	112.8	V4 P6 G7 A8 V10 L75 S76 D82 L103 V105	V4-L78 HydrophobicContact CB-CD1 4.4Å; V4-L78 HydrophobicContact CG2-CD1 3.61Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.28Å; G7-L78 PolarHBondContact N-O 2.91Å; A8-L78 WeakPolarHBondContact O-CB 3.23Å; A8-L78 VanDerWaalsContact O-CG 3.28Å; A8-L78 WeakPolarHBondContact O-CG 3.28Å; A8-L78 PolarHBondContact O-N 2.84Å; V10-L78 HydrophobicContact CB-CD1 4.07Å; V10-L78 HydrophobicContact CG1-CD1 3.79Å; L75-L78 HydrophobicContact CB-CD2 3.74Å; L75-L78 HydrophobicContact CD1-CD2 4.31Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 3Å; L78-D82 HydrophobicContact CD2-CB 3.69Å; L78-L103 HydrophobicContact CD1-CD2 4.23Å; L78-L103 HydrophobicContact CD2-CD2 4.07Å; L78-V105 HydrophobicContact CB-CG1 4.25Å; L78-V105 HydrophobicContact CB-CG2 4.07Å; L78-V105 HydrophobicContact CD1-CG2 4.46Å
79	T	94.5	Very high	95.8	Very high	61 Å²	61	33 Å²	33	37%	0.374	19%	0.19	S	C	.	.			trans	-126.6	165.6	177.5	63.2	0	0	0	0	109.7	E81 D82 V105	T79-E81 PolarHBondContact O-N 2.89Å; T79-E81 VanDerWaalsContact O-N 3.1Å; T79-D82 PolarHBondContact N-OD2 2.85Å; T79-D82 WeakPolarHBondContact O-CB 3.32Å; T79-D82 PolarHBondContact O-N 2.83Å; T79-D82 PolarHBondContact OG1-OD2 3.48Å; T79-V105 WeakPolarHBondContact O-CB 3.38Å; T79-V105 VanDerWaalsContact O-CG2 3.29Å; T79-V105 WeakPolarHBondContact O-CG2 3.24Å
80	S	92.5	Very high	95.5	Very high	72 Å²	72	33.4 Å²	33.4	50%	0.503	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-53.6	-31.9	175.3	55	0	0	0	0	112.6	D82 S83	S80-D82 PolarHBondContact O-N 2.86Å; S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 3.23Å; S80-S83 PolarHBondContact O-N 3.13Å; S80-S83 VanDerWaalsContact O-N 3.12Å; S80-S83 PolarHBondContact O-OG 3.17Å
81	E	91.3	Very high	94.7	Very high	126 Å²	126	37.6 Å²	37.6	59%	0.589	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-67.4	-14	175.9	-62.4	-162.6	-176.2	0	0	115	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.91Å; R32-E81 PolarHBondContact NE-O 2.81Å; R32-E81 VanDerWaalsContact NE-O 3.09Å; R32-E81 PolarHBondContact NH2-O 2.77Å; R32-E81 IonicContact NH2-OE2 3.38Å; T79-E81 PolarHBondContact O-N 2.89Å; T79-E81 VanDerWaalsContact O-N 3.1Å; E81-S83 VanDerWaalsContact C-N 3.28Å
82	D	94	Very high	93.7	Very high	10 Å²	10	40.8 Å²	40.8	5%	0.053	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-83.7	-5.9	174.5	-61.8	-52.4	0	0	0	112.9	K30 K59 L78 T79 S80 A84 Y86 V105	K30-D82 IonicContact NZ-OD1 3.56Å; K30-D82 PolarHBondContact NZ-OD1 3.43Å; K59-D82 WeakPolarHBondContact CE-OD1 3.42Å; K59-D82 WeakPolarHBondContact CE-OD2 3.29Å; K59-D82 IonicContact NZ-OD1 3.97Å; K59-D82 IonicContact NZ-OD2 2.72Å; K59-D82 PolarHBondContact NZ-OD2 2.85Å; L78-D82 HydrophobicContact CD2-CB 3.69Å; T79-D82 PolarHBondContact N-OD2 2.85Å; T79-D82 WeakPolarHBondContact O-CB 3.32Å; T79-D82 PolarHBondContact O-N 2.83Å; T79-D82 PolarHBondContact OG1-OD2 3.48Å; S80-D82 PolarHBondContact O-N 2.86Å; D82-A84 PolarHBondContact O-N 2.83Å; D82-Y86 WeakPolarHBondContact O-CE2 3.4Å; D82-Y86 PolarHBondContact O-OH 2.87Å; D82-V105 HydrophobicContact CB-CG2 4.15Å
83	S	95.4	Very high	91.9	Very high	35 Å²	35	43.7 Å²	43.7	25%	0.245	25%	0.247	C	C	.	.			trans	-64.7	114.5	171.8	-56.1	0	0	0	0	110.7	S80 E81 L103 V105	S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 3.23Å; S80-S83 PolarHBondContact O-N 3.13Å; S80-S83 VanDerWaalsContact O-N 3.12Å; S80-S83 PolarHBondContact O-OG 3.17Å; E81-S83 VanDerWaalsContact C-N 3.28Å; S83-L103 VanDerWaalsContact CA-O 3.28Å; S83-L103 WeakPolarHBondContact CA-O 3.47Å; S83-V105 PolarHBondContact OG-N 3.18Å; S83-V105 PolarHBondContact OG-O 3.36Å
84	A	96.4	Very high	90.6	Very high	6 Å²	6	55.4 Å²	55.4	5%	0.05	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	172.7	-172.6	0	0	0	0	0	110.8	K30 Q31 R32 D82 Y86 L103	K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.56Å; Q31-A84 WeakPolarHBondContact O-CA 3.01Å; Q31-A84 WeakPolarHBondContact O-CB 3.35Å; R32-A84 HydrophobicContact CG-CB 4.22Å; D82-A84 PolarHBondContact O-N 2.83Å; A84-Y86 HydrophobicContact CB-CD2 4.42Å; A84-Y86 HydrophobicContact CB-CE2 3.85Å; A84-L103 PolarHBondContact N-O 2.88Å; A84-L103 PolarHBondContact O-N 2.8Å
85	V	97.1	Very high	89.7	Confident	37 Å²	37	52 Å²	52	22%	0.224	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.2	161.6	-169.7	0	0	0	0	108.4	Q31 F87	Q31-V85 PolarHBondContact N-O 3.22Å; Q31-V85 PolarHBondContact O-N 3.44Å; V85-F87 HydrophobicContact CB-CE2 3.75Å; V85-F87 HydrophobicContact CB-CZ 3.94Å; V85-F87 HydrophobicContact CG1-CD2 4.23Å; V85-F87 HydrophobicContact CG1-CE1 3.88Å; V85-F87 HydrophobicContact CG1-CE2 3.51Å; V85-F87 HydrophobicContact CG1-CZ 3.31Å
86	Y	97.3	Very high	89.4	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.008	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.6	178.8	-68.2	-88.4	0	0	0	109.9	I12 V29 K30 I40 M73 L75 D82 A84 G100 T101 L103	I12-Y86 HydrophobicContact CD1-CD2 3.88Å; I12-Y86 HydrophobicContact CD1-CG 3.79Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.07Å; K30-Y86 HydrophobicContact CB-CD1 4.13Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.9Å; K30-Y86 WeakPolarHBondContact CE-OH 3.18Å; K30-Y86 HydrophobicContact CG-CD1 4.28Å; K30-Y86 HydrophobicContact CG-CE1 3.73Å; I40-Y86 HydrophobicContact CD1-CD1 3.73Å; I40-Y86 HydrophobicContact CD1-CE1 3.88Å; M73-Y86 HydrophobicContact CE-CD1 3.47Å; M73-Y86 VanDerWaalsContact CE-CD1 3.47Å; M73-Y86 HydrophobicContact CE-CE1 4.12Å; M73-Y86 HydrophobicContact CE-CG 3.98Å; L75-Y86 HydrophobicContact CD1-CD1 4.23Å; L75-Y86 HydrophobicContact CD1-CE1 3.63Å; L75-Y86 HydrophobicContact CD1-CE2 4.1Å; D82-Y86 WeakPolarHBondContact O-CE2 3.4Å; D82-Y86 PolarHBondContact O-OH 2.87Å; A84-Y86 HydrophobicContact CB-CD2 4.42Å; A84-Y86 HydrophobicContact CB-CE2 3.85Å; Y86-G100 CarbonylContact O-C 3.56Å; Y86-G100 VanDerWaalsContact O-CA 3.24Å; Y86-G100 WeakPolarHBondContact O-CA 3.26Å; Y86-T101 PolarHBondContact N-O 3.4Å; Y86-T101 PolarHBondContact O-N 3.08Å; Y86-L103 HydrophobicContact CD2-CB 3.96Å; Y86-L103 HydrophobicContact CD2-CD2 4.41Å; Y86-L103 HydrophobicContact CE2-CB 3.8Å; Y86-L103 HydrophobicContact CE2-CD2 3.74Å; Y86-L103 HydrophobicContact CE2-CG 4.4Å
87	F	96.5	Very high	89.3	Confident	31 Å²	31	62.6 Å²	62.6	14%	0.136	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	147.9	-178.6	-59.4	-88.2	0	0	0	110.6	W28 V29 Q31 V85 W97	W28-F87 CarbonylContact C-O 3.36Å; W28-F87 WeakPolarHBondContact CA-O 2.98Å; V29-F87 PolarHBondContact N-O 2.8Å; V29-F87 PolarHBondContact O-N 2.92Å; 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 3.94Å; V85-F87 HydrophobicContact CG1-CD2 4.23Å; V85-F87 HydrophobicContact CG1-CE1 3.88Å; V85-F87 HydrophobicContact CG1-CE2 3.51Å; V85-F87 HydrophobicContact CG1-CZ 3.31Å; F87-W97 HydrophobicContact CB-CE3 3.77Å; F87-W97 HydrophobicContact CB-CZ3 3.92Å; F87-W97 HydrophobicContact CG-CE3 4.25Å; F87-W97 HydrophobicContact CG-CZ3 4.43Å
88	C	95.9	Very high	89.2	Confident	14 Å²	14	60.2 Å²	60.2	10%	0.095	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	148.9	161	60.4	0	0	0	0	110	C14 M26 N27 W28 G98	C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 3.47Å; C14-C88 WeakPolarHBondContact SG-CB 3.49Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.92Å; M26-C88 HydrophobicContact CG-CB 4.38Å; M26-C88 HydrophobicContact SD-CB 3.75Å; N27-C88 CarbonylContact O-C 3.5Å; N27-C88 WeakPolarHBondContact O-CA 3.47Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.28Å; W28-C88 HydrophobicContact CH2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.23Å; C88-G98 PolarHBondContact O-N 2.81Å
89	A	94.8	Very high	89.1	Confident	1 Å²	1	69.9 Å²	69.9	1%	0.008	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	138.9	177.9	0	0	0	0	0	112.5	N27 L92 Y96 W97	N27-A89 WeakPolarHBondContact CA-O 3.33Å; N27-A89 HydrophobicContact CB-CB 4.48Å; N27-A89 VanDerWaalsContact CB-O 3.27Å; N27-A89 WeakPolarHBondContact CB-O 3.02Å; N27-A89 PolarHBondContact N-O 3.12Å; N27-A89 PolarHBondContact ND2-O 3.03Å; N27-A89 PolarHBondContact O-N 2.86Å; A89-L92 HydrophobicContact CB-CD2 3.74Å; A89-L92 HydrophobicContact CB-CG 4.38Å; A89-Y96 CarbonylContact C-O 3.57Å; A89-Y96 WeakPolarHBondContact CA-O 3.45Å; A89-W97 HydrophobicContact CB-CD2 3.79Å; A89-W97 HydrophobicContact CB-CE3 3.83Å; A89-W97 HydrophobicContact CB-CG 4.26Å; A89-W97 HydrophobicContact CB-CH2 4.49Å; A89-W97 HydrophobicContact CB-CZ2 4.48Å; A89-W97 HydrophobicContact CB-CZ3 4.19Å
90	R	89.5	Confident	89.1	Confident	49 Å²	49	68.4 Å²	68.4	19%	0.185	35%	0.345	C	S	.	.	S	Bend	trans	-76	-47.6	178.7	-168.5	-178.3	79	-166.2	6.1	112.3	Y19 W25 N27 Y96	Y19-R90 HydrophobicContact CE2-CG 4.15Å; W25-R90 WeakPolarHBondContact O-CA 3.42Å; W25-R90 VanDerWaalsContact O-O 3.12Å; N27-R90 PolarHBondContact ND2-O 3.26Å; R90-Y96 PolarHBondContact N-O 3.33Å; R90-Y96 VanDerWaalsContact NH2-CE2 3.26Å
91	E	80	Confident	89.2	Confident	98 Å²	98	67.5 Å²	67.5	46%	0.458	34%	0.337	S	S	.	.	S	Bend	trans	-130.2	131.5	-176.4	-73.9	158.6	-138	0	0	108.6	G95	E91-G95 WeakPolarHBondContact O-CA 3.48Å; E91-G95 PolarHBondContact O-N 3.1Å
92	L	76.4	Confident	89.5	Confident	68 Å²	68	64.3 Å²	64.3	36%	0.356	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	145.2	176.7	-68.4	178.1	0	0	0	109.8	N27 V29 W39 A89 W97	N27-L92 HydrophobicContact CB-CD1 3.74Å; N27-L92 HydrophobicContact CB-CG 4.18Å; V29-L92 HydrophobicContact CG2-CD1 4.14Å; V29-L92 HydrophobicContact CG2-CD2 4.44Å; W39-L92 VanDerWaalsContact CD1-CD1 3.45Å; A89-L92 HydrophobicContact CB-CD2 3.74Å; A89-L92 HydrophobicContact CB-CG 4.38Å; L92-W97 HydrophobicContact CD2-CH2 3.34Å; L92-W97 HydrophobicContact CD2-CZ2 3.12Å; L92-W97 HydrophobicContact CD2-CZ3 4.24Å
93	P	61.4	Low	89.5	Confident	110 Å²	110	63.9 Å²	63.9	71%	0.714	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	cis	-93.4	-16.3	1.6	33.8	-32.8	0	0	0	115.1	W97	P93-W97 PolarHBondContact O-NE1 3.01Å
94	R	70	Confident	89.5	Confident	246 Å²	246	65.1 Å²	65.1	93%	0.928	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	15.4	-173.5	-69.6	-173.2	177	164.8	-0.6	114.9
95	G	80	Confident	89.3	Confident	17 Å²	17	65.1 Å²	65.1	18%	0.175	33%	0.329	C	S	.	.	S	Bend	trans	-84.6	-160.3	-177.4	0	0	0	0	0	114.4	E91	E91-G95 WeakPolarHBondContact O-CA 3.48Å; E91-G95 PolarHBondContact O-N 3.1Å
96	Y	88.9	Confident	88.9	Confident	161 Å²	161	65.5 Å²	65.5	63%	0.631	33%	0.333	S	S	*	.			trans	-81.5	127.1	-178.6	-59.4	-88.1	0	0	0	111.3	A89 R90	A89-Y96 CarbonylContact C-O 3.57Å; A89-Y96 WeakPolarHBondContact CA-O 3.45Å; R90-Y96 PolarHBondContact N-O 3.33Å; R90-Y96 VanDerWaalsContact NH2-CE2 3.26Å
97	W	92.9	Very high	88	Confident	93 Å²	93	73.1 Å²	73.1	35%	0.352	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-112.5	143.6	179.8	-67.2	81.2	0	0	0	111.1	V29 L37 F87 A89 L92 P93	V29-W97 HydrophobicContact CB-CH2 4.33Å; V29-W97 HydrophobicContact CB-CZ3 3.93Å; V29-W97 HydrophobicContact CG1-CH2 4.25Å; V29-W97 HydrophobicContact CG1-CZ3 4.15Å; V29-W97 HydrophobicContact CG2-CH2 3.94Å; V29-W97 HydrophobicContact CG2-CZ3 3.84Å; L37-W97 HydrophobicContact CD1-CH2 3.85Å; L37-W97 HydrophobicContact CD1-CZ2 4.34Å; F87-W97 HydrophobicContact CB-CE3 3.77Å; F87-W97 HydrophobicContact CB-CZ3 3.92Å; F87-W97 HydrophobicContact CG-CE3 4.25Å; F87-W97 HydrophobicContact CG-CZ3 4.43Å; A89-W97 HydrophobicContact CB-CD2 3.79Å; A89-W97 HydrophobicContact CB-CE3 3.83Å; A89-W97 HydrophobicContact CB-CG 4.26Å; A89-W97 HydrophobicContact CB-CH2 4.49Å; A89-W97 HydrophobicContact CB-CZ2 4.48Å; A89-W97 HydrophobicContact CB-CZ3 4.19Å; L92-W97 HydrophobicContact CD2-CH2 3.34Å; L92-W97 HydrophobicContact CD2-CZ2 3.12Å; L92-W97 HydrophobicContact CD2-CZ3 4.24Å; P93-W97 PolarHBondContact O-NE1 3.01Å
98	G	92.9	Very high	87.5	Confident	27 Å²	27	75.3 Å²	75.3	28%	0.278	40%	0.4	S	S	.	.			trans	-71.4	164.7	165.3	0	0	0	0	0	111.8	C88 G100	C88-G98 PolarHBondContact O-N 2.81Å; G98-G100 PolarHBondContact O-N 2.97Å; G98-G100 VanDerWaalsContact O-N 3.14Å
99	Q	93	Very high	87.1	Confident	203 Å²	203	78.5 Å²	78.5	95%	0.949	42%	0.416	S	S	*	.			trans	-63.4	-19.3	179.2	-66.8	179.8	-10.5	0	0	113.7
100	G	94.3	Very high	86.7	Confident	30 Å²	30	82.8 Å²	82.8	31%	0.309	44%	0.438	S	S	.	.			trans	88.4	153.8	-177.3	0	0	0	0	0	113	Y86 G98	Y86-G100 CarbonylContact O-C 3.56Å; Y86-G100 VanDerWaalsContact O-CA 3.24Å; Y86-G100 WeakPolarHBondContact O-CA 3.26Å; G98-G100 PolarHBondContact O-N 2.97Å; G98-G100 VanDerWaalsContact O-N 3.14Å
101	T	95.9	Very high	86.5	Confident	53 Å²	53	84.8 Å²	84.8	33%	0.325	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	117.1	176.7	-57.1	0	0	0	0	109	I12 Y86 L103	I12-T101 HydrophobicContact CG2-CG2 4.41Å; Y86-T101 PolarHBondContact N-O 3.4Å; Y86-T101 PolarHBondContact O-N 3.08Å; T101-L103 PolarHBondContact O-N 2.9Å
102	T	96.3	Very high	86.9	Confident	59 Å²	59	83.9 Å²	83.9	36%	0.362	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	120.4	174.1	-50	0	0	0	0	110.1	P1 E2	P1-T102 CarbonylContact C-O 3.47Å; P1-T102 VanDerWaalsContact CA-O 3.24Å; P1-T102 WeakPolarHBondContact CA-O 3.27Å; P1-T102 HydrophobicContact CB-CG2 4.37Å; E2-T102 PolarHBondContact N-O 3.5Å
103	L	94.9	Very high	87.6	Confident	2 Å²	2	85 Å²	85	1%	0.01	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.4	171.9	-178.9	68.3	0	0	0	108.8	E2 V4 V10 L75 L78 S83 A84 Y86 T101 V105	E2-L103 HydrophobicContact CB-CD1 4.09Å; V4-L103 HydrophobicContact CG1-CD1 4.01Å; V4-L103 HydrophobicContact CG2-CD1 3.81Å; V4-L103 HydrophobicContact CG2-CG 4.44Å; V10-L103 HydrophobicContact CB-CD1 4.46Å; V10-L103 HydrophobicContact CG1-CD1 4.11Å; V10-L103 HydrophobicContact CG1-CD2 3.82Å; V10-L103 HydrophobicContact CG2-CD1 4.29Å; L75-L103 HydrophobicContact CD1-CD2 4.15Å; L78-L103 HydrophobicContact CD1-CD2 4.23Å; L78-L103 HydrophobicContact CD2-CD2 4.07Å; S83-L103 VanDerWaalsContact CA-O 3.28Å; S83-L103 WeakPolarHBondContact CA-O 3.47Å; A84-L103 PolarHBondContact N-O 2.88Å; A84-L103 PolarHBondContact O-N 2.8Å; Y86-L103 HydrophobicContact CD2-CB 3.96Å; Y86-L103 HydrophobicContact CD2-CD2 4.41Å; Y86-L103 HydrophobicContact CE2-CB 3.8Å; Y86-L103 HydrophobicContact CE2-CD2 3.74Å; Y86-L103 HydrophobicContact CE2-CG 4.4Å; T101-L103 PolarHBondContact O-N 2.9Å; L103-V105 HydrophobicContact CG-CG2 4.46Å
104	T	95	Very high	89.5	Confident	60 Å²	60	83.2 Å²	83.2	37%	0.368	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.5	174.8	-57.5	0	0	0	0	108.7	E2 L3 V4	E2-T104 PolarHBondContact O-N 2.66Å; L3-T104 WeakPolarHBondContact CA-O 3.44Å; L3-T104 HydrophobicContact CD1-CG2 3.95Å; V4-T104 PolarHBondContact N-O 2.62Å
105	V	93.1	Very high	91	Very high	7 Å²	7	70.7 Å²	70.7	4%	0.042	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	120	175.1	-170.6	0	0	0	0	107.8	V4 P6 L78 T79 D82 S83 L103	V4-V105 HydrophobicContact CG2-CB 4.19Å; V4-V105 HydrophobicContact CG2-CG1 4.28Å; V4-V105 HydrophobicContact CG2-CG2 3.71Å; V4-V105 CarbonylContact O-C 3.58Å; V4-V105 WeakPolarHBondContact O-CA 3.41Å; P6-V105 HydrophobicContact CG-CG1 4.33Å; L78-V105 HydrophobicContact CB-CG1 4.25Å; L78-V105 HydrophobicContact CB-CG2 4.07Å; L78-V105 HydrophobicContact CD1-CG2 4.46Å; T79-V105 WeakPolarHBondContact O-CB 3.38Å; T79-V105 VanDerWaalsContact O-CG2 3.29Å; T79-V105 WeakPolarHBondContact O-CG2 3.24Å; D82-V105 HydrophobicContact CB-CG2 4.15Å; S83-V105 PolarHBondContact OG-N 3.18Å; S83-V105 PolarHBondContact OG-O 3.36Å; L103-V105 HydrophobicContact CG-CG2 4.46Å
106	S	88.8	Confident	91.9	Very high	44 Å²	44	75.2 Å²	75.2	31%	0.308	42%	0.423	S	S	.	.			trans	-62.6	143.9	177.1	63.5	0	0	0	0	110.1	V4 P6	V4-S106 PolarHBondContact O-N 3.26Å; V4-S106 PolarHBondContact O-OG 3.03Å; P6-S106 WeakPolarHBondContact CD-O 3.36Å; P6-S106 WeakPolarHBondContact CG-O 3.46Å
107	S	76.6	Confident	92.1	Very high	163 Å²	163	67.4 Å²	67.4	100%	1.14	40%	0.404	S	S	*	.			trans	-72.6	0	170.7	50.3	0	0	0	0	112.2

Retrieved 107 of 107 residues in 64.2 ms (Link to these results)

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