X5J5D6_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5D6, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 107 aa.

						>X5J5D6_MOUSE|X5J5D6
PELVKPGASVKISCKASGYAFSSSWMNWVKQRPGKGLEWIGRIYPGDGDTNYNGKFKGKATLTADKSSSTAYMQLSSLTSEDSAVYFCARELPRGYWGQGTTLTASS
					

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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	63.4	Low	82.5	Confident	133 Å²	133	81 Å²	81	86%	0.864	47%	0.465	S	S	*	.				0	122.6	0	-17.5	32.7	0	0	0	109.4	T102	P1-T102 CarbonylContact C-O 3.59Å; P1-T102 VanDerWaalsContact CA-O 3.3Å; P1-T102 WeakPolarHBondContact CA-O 3.49Å; P1-T102 HydrophobicContact CB-CG2 4.13Å
2	E	74.6	Confident	83.6	Confident	92 Å²	92	74.8 Å²	74.8	43%	0.43	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	122.5	174.5	-164.1	178.3	167.1	0	0	108.9	V4 T102 L103 T104	E2-V4 HydrophobicContact CG-CG1 4.16Å; E2-T102 PolarHBondContact N-O 3.23Å; E2-L103 HydrophobicContact CB-CD2 3.7Å; E2-L103 HydrophobicContact CG-CD2 4.47Å; E2-T104 PolarHBondContact O-N 2.65Å
3	L	77.9	Confident	84.6	Confident	137 Å²	137	74.6 Å²	74.6	72%	0.717	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	115.8	176.4	-80.1	156	0	0	0	108.6	T104	L3-T104 HydrophobicContact CD2-CG2 4.31Å
4	V	80.4	Confident	85.4	Confident	15 Å²	15	70.3 Å²	70.3	9%	0.091	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	140	-176.9	-66.9	0	0	0	0	110.1	E2 V10 L78 T104 A105	E2-V4 HydrophobicContact CG-CG1 4.16Å; V4-V10 HydrophobicContact CG1-CB 4.36Å; V4-V10 HydrophobicContact CG1-CG2 4.36Å; V4-L78 HydrophobicContact CB-CD1 4Å; V4-L78 HydrophobicContact CG1-CD1 4.27Å; V4-L78 HydrophobicContact CG2-CD1 3.64Å; V4-T104 WeakPolarHBondContact CG2-O 3.41Å; V4-T104 PolarHBondContact N-O 2.92Å; V4-A105 HydrophobicContact CG2-CB 3.82Å; V4-A105 WeakPolarHBondContact O-CA 3.46Å
5	K	81.2	Confident	86.1	Confident	169 Å²	169	76.1 Å²	76.1	74%	0.735	43%	0.429	S	S	*	.			trans	-71.5	146.9	173.9	-67.9	-179.1	178.9	-179.7	0	109.9	A8	K5-A8 HydrophobicContact CB-CB 4.5Å; K5-A8 WeakPolarHBondContact O-CB 3.47Å; K5-A8 PolarHBondContact O-N 3.25Å; K5-A8 VanDerWaalsContact O-N 3.13Å
6	P	79.1	Confident	86.5	Confident	62 Å²	62	72 Å²	72	40%	0.403	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	143.5	171.5	-21.4	34	0	0	0	110.5	A8 L78 S106	P6-A8 PolarHBondContact O-N 3.02Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.23Å; P6-S106 WeakPolarHBondContact CD-O 3.41Å; P6-S106 WeakPolarHBondContact CG-O 3.3Å
7	G	82.2	Confident	86.7	Confident	52 Å²	52	73.7 Å²	73.7	54%	0.536	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	-11.7	-176.3	0	0	0	0	0	114.6	L78	G7-L78 PolarHBondContact N-O 2.92Å
8	A	88.3	Confident	86.7	Confident	37 Å²	37	74.6 Å²	74.6	31%	0.306	45%	0.453	S	S	.	.			trans	-68.6	161.1	174.7	0	0	0	0	0	111.7	K5 P6 S77 L78	K5-A8 HydrophobicContact CB-CB 4.5Å; K5-A8 WeakPolarHBondContact O-CB 3.47Å; K5-A8 PolarHBondContact O-N 3.25Å; K5-A8 VanDerWaalsContact O-N 3.13Å; P6-A8 PolarHBondContact O-N 3.02Å; A8-S77 PolarHBondContact O-N 2.85Å; A8-L78 WeakPolarHBondContact O-CG 3.22Å; A8-L78 PolarHBondContact O-N 2.92Å
9	S	92	Very high	86.6	Confident	68 Å²	68	73.8 Å²	73.8	48%	0.476	44%	0.442	S	S	.	.			trans	-108.5	142.9	168.7	-57.7	0	0	0	0	109.6	L75 S76	S9-L75 CarbonylContact C-O 3.6Å; S9-L75 WeakPolarHBondContact CA-O 3.29Å; S9-L75 WeakPolarHBondContact CB-O 3.22Å; S9-S76 WeakPolarHBondContact OG-CA 3.27Å
10	V	93.7	Very high	86.8	Confident	6 Å²	6	73 Å²	73	4%	0.036	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144.9	177.9	67.6	0	0	0	0	109.9	V4 Q74 L75 L78 L103	V4-V10 HydrophobicContact CG1-CB 4.36Å; V4-V10 HydrophobicContact CG1-CG2 4.36Å; V10-Q74 CarbonylContact O-C 3.54Å; V10-Q74 VanDerWaalsContact O-CA 3.29Å; V10-Q74 WeakPolarHBondContact O-CA 3.31Å; V10-L75 HydrophobicContact CG1-CB 4.05Å; V10-L75 HydrophobicContact CG1-CD1 4.33Å; V10-L75 PolarHBondContact N-O 2.77Å; V10-L75 PolarHBondContact O-N 3.17Å; V10-L78 HydrophobicContact CB-CD1 3.85Å; V10-L78 HydrophobicContact CG1-CD1 3.46Å; V10-L78 VanDerWaalsContact CG1-CD1 3.46Å; V10-L78 HydrophobicContact CG1-CD2 4.31Å; V10-L78 HydrophobicContact CG1-CG 4.37Å; V10-L103 HydrophobicContact CG1-CD1 3.56Å; V10-L103 HydrophobicContact CG2-CD2 4.17Å
11	K	95.3	Very high	87.1	Confident	120 Å²	120	69.8 Å²	69.8	52%	0.522	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	111.8	177.5	-173	178.2	-179.1	-178	0	109.4	Y72	K11-Y72 HydrophobicContact CD-CD1 4.31Å; K11-Y72 VanDerWaalsContact CE-CB 3.48Å; K11-Y72 HydrophobicContact CG-CD1 4.3Å
12	I	95.8	Very high	88.5	Confident	6 Å²	6	66.3 Å²	66.3	3%	0.031	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	135.4	176.2	-46.8	-175.8	0	0	0	108.5	W28 Y72 M73 L75 Y86 T101 L103	I12-W28 HydrophobicContact CB-CH2 4.24Å; I12-W28 HydrophobicContact CB-CZ3 4.04Å; I12-W28 HydrophobicContact CG2-CH2 4.07Å; I12-W28 HydrophobicContact CG2-CZ3 3.74Å; I12-Y72 CarbonylContact O-C 3.55Å; I12-Y72 WeakPolarHBondContact O-CA 3.3Å; I12-M73 HydrophobicContact CD1-CE 3.55Å; I12-M73 HydrophobicContact CG1-CE 4.29Å; I12-M73 PolarHBondContact N-O 2.98Å; I12-M73 PolarHBondContact O-N 3.13Å; I12-L75 HydrophobicContact CD1-CD1 4.42Å; I12-Y86 HydrophobicContact CD1-CD1 4.35Å; I12-Y86 HydrophobicContact CD1-CD2 4.03Å; I12-Y86 HydrophobicContact CD1-CG 3.72Å; I12-T101 HydrophobicContact CG2-CG2 4.35Å; I12-L103 HydrophobicContact CD1-CD1 3.64Å; I12-L103 HydrophobicContact CD1-CG 4.25Å; I12-L103 HydrophobicContact CG1-CD1 4.26Å
13	S	96.5	Very high	89.3	Confident	73 Å²	73	65.1 Å²	65.1	51%	0.51	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	149.6	175.9	63	0	0	0	0	111.6	A71 Y72	S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.48Å; S13-Y72 VanDerWaalsContact CB-CE1 3.49Å
14	C	96	Very high	89.9	Confident	14 Å²	14	59.6 Å²	59.6	10%	0.095	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	108.1	172.8	177	0	0	0	0	109.1	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.71Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; C14-T70 WeakPolarHBondContact O-CA 3.42Å; C14-A71 PolarHBondContact N-O 3.27Å; C14-A71 PolarHBondContact O-N 2.85Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.38Å; C14-C88 WeakPolarHBondContact SG-CB 3.47Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.06Å
15	K	95.3	Very high	90.5	Very high	157 Å²	157	62.1 Å²	62.1	68%	0.683	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	122.5	178.1	-172	173	-175.8	177.2	0	109.9
16	A	92.3	Very high	91.2	Very high	11 Å²	11	54.3 Å²	54.3	9%	0.091	35%	0.351	C	S	.	.			trans	-79.9	145.9	174.3	0	0	0	0	0	111.2	Y19 F21 M26 S69	A16-Y19 HydrophobicContact CB-CE1 3.8Å; A16-Y19 HydrophobicContact CB-CE2 4.17Å; A16-Y19 VanDerWaalsContact CB-CZ 3.47Å; A16-Y19 WeakPolarHBondContact CB-OH 3.48Å; A16-F21 HydrophobicContact CB-CB 4.04Å; A16-F21 HydrophobicContact CB-CD2 3.39Å; A16-F21 HydrophobicContact CB-CE2 4.12Å; A16-F21 HydrophobicContact CB-CG 3.98Å; A16-M26 HydrophobicContact CB-CE 4.36Å; A16-S69 WeakPolarHBondContact CB-O 3.32Å; A16-S69 PolarHBondContact N-O 2.8Å
17	S	90.1	Very high	92	Very high	101 Å²	101	51.9 Å²	51.9	71%	0.706	34%	0.335	S	S	*	.			trans	-145.8	150.1	173.6	60.1	0	0	0	0	110.1	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.25Å; S17-Y19 PolarHBondContact O-N 3.08Å
18	G	86.8	Confident	92.8	Very high	90 Å²	90	49.5 Å²	49.5	93%	0.928	31%	0.31	S	S	*	.	S	Bend	trans	77.2	11.6	174.7	0	0	0	0	0	116.1
19	Y	85.6	Confident	93.1	Very high	59 Å²	59	47.9 Å²	47.9	23%	0.231	30%	0.296	C	S	.	.	S	Bend	trans	-155.8	167.3	173.1	65	-84.5	0	0	0	112.2	A16 S17 F21 M26 R90	A16-Y19 HydrophobicContact CB-CE1 3.8Å; A16-Y19 HydrophobicContact CB-CE2 4.17Å; A16-Y19 VanDerWaalsContact CB-CZ 3.47Å; A16-Y19 WeakPolarHBondContact CB-OH 3.48Å; S17-Y19 WeakPolarHBondContact O-CD1 3.25Å; S17-Y19 PolarHBondContact O-N 3.08Å; Y19-F21 HydrophobicContact CE2-CD2 4.48Å; Y19-F21 PolarHBondContact O-N 2.86Å; Y19-M26 VanDerWaalsContact OH-CE 3.23Å; Y19-M26 WeakPolarHBondContact OH-CE 3.16Å; Y19-R90 HydrophobicContact CE2-CG 4.14Å
20	A	90.3	Very high	93.3	Very high	58 Å²	58	44.7 Å²	44.7	48%	0.479	27%	0.273	S	S	.	.			trans	-71.7	96.6	173.4	0	0	0	0	0	110.6	S22 S23 S24	A20-S22 VanDerWaalsContact C-N 3.3Å; A20-S22 PolarHBondContact O-N 2.95Å; A20-S23 VanDerWaalsContact CB-OG 3.27Å; A20-S23 WeakPolarHBondContact CB-OG 3.32Å; A20-S23 PolarHBondContact O-N 2.87Å; A20-S23 PolarHBondContact O-OG 3.27Å; A20-S24 PolarHBondContact O-OG 3.07Å
21	F	92.1	Very high	93.4	Very high	6 Å²	6	48 Å²	48	3%	0.026	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-59.3	-38.4	-177.1	175.3	-112.4	0	0	0	113.2	A16 Y19 S23 S24 M26 P45 A64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.04Å; A16-F21 HydrophobicContact CB-CD2 3.39Å; A16-F21 HydrophobicContact CB-CE2 4.12Å; A16-F21 HydrophobicContact CB-CG 3.98Å; Y19-F21 HydrophobicContact CE2-CD2 4.48Å; Y19-F21 PolarHBondContact O-N 2.86Å; F21-S23 PolarHBondContact O-N 3.48Å; F21-S24 PolarHBondContact O-N 3.17Å; F21-M26 HydrophobicContact CD2-CE 4.3Å; F21-M26 HydrophobicContact CE2-CE 3.86Å; F21-P45 HydrophobicContact CD1-CB 3.85Å; F21-P45 HydrophobicContact CD1-CG 4.04Å; F21-P45 HydrophobicContact CD2-CG 4.04Å; F21-P45 HydrophobicContact CE1-CB 3.48Å; F21-P45 VanDerWaalsContact CE1-CB 3.48Å; F21-P45 HydrophobicContact CE1-CG 3.62Å; F21-P45 HydrophobicContact CE2-CB 4.4Å; F21-P45 HydrophobicContact CE2-CG 3.6Å; F21-P45 HydrophobicContact CG-CB 4.48Å; F21-P45 HydrophobicContact CG-CG 4.27Å; F21-P45 HydrophobicContact CZ-CB 3.79Å; F21-P45 HydrophobicContact CZ-CG 3.37Å; F21-P45 WeakPolarHBondContact O-CG 3.47Å; F21-A64 HydrophobicContact CE1-CB 4.1Å; F21-A64 HydrophobicContact CZ-CB 3.96Å; F21-S69 VanDerWaalsContact CD1-CA 3.47Å; F21-A71 HydrophobicContact CE2-CB 4.08Å; F21-A71 HydrophobicContact CZ-CB 3.91Å
22	S	92.8	Very high	93.2	Very high	60 Å²	60	45.5 Å²	45.5	42%	0.42	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-69.2	-12.4	180	53.3	0	0	0	0	114.7	A20 G46	A20-S22 VanDerWaalsContact C-N 3.3Å; A20-S22 PolarHBondContact O-N 2.95Å; S22-G46 WeakPolarHBondContact O-CA 3.36Å; S22-G46 PolarHBondContact O-N 3.14Å; S22-G46 VanDerWaalsContact O-N 3.1Å
23	S	91.5	Very high	92.9	Very high	66 Å²	66	50.9 Å²	50.9	46%	0.462	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-114	15.3	179.9	63.8	0	0	0	0	113.8	A20 F21 Y44	A20-S23 VanDerWaalsContact CB-OG 3.27Å; A20-S23 WeakPolarHBondContact CB-OG 3.32Å; A20-S23 PolarHBondContact O-N 2.87Å; A20-S23 PolarHBondContact O-OG 3.27Å; F21-S23 PolarHBondContact O-N 3.48Å; S23-Y44 VanDerWaalsContact C-CE2 3.41Å; S23-Y44 WeakPolarHBondContact CA-OH 3.47Å
24	S	91.1	Very high	92.5	Very high	21 Å²	21	51.6 Å²	51.6	15%	0.147	33%	0.33	C	S	.	.	S	Bend	trans	-133.1	138.1	-175.8	-61.6	0	0	0	0	111.6	A20 F21 P45	A20-S24 PolarHBondContact O-OG 3.07Å; F21-S24 PolarHBondContact O-N 3.17Å; S24-P45 WeakPolarHBondContact O-CD 3.39Å
25	W	93.6	Very high	92.2	Very high	69 Å²	69	57.8 Å²	57.8	26%	0.261	36%	0.355	S	S	.	.			trans	-65.7	139.7	171.4	-72.3	97.1	0	0	0	110.9	R42 Y44 D49 R90	W25-R42 HydrophobicContact CD2-CG 4.24Å; W25-R42 HydrophobicContact CE3-CB 3.96Å; W25-R42 HydrophobicContact CE3-CG 3.43Å; W25-R42 VanDerWaalsContact CE3-CG 3.43Å; W25-R42 HydrophobicContact CZ3-CG 3.72Å; W25-Y44 AromaticContact CD1-CD2 3.99Å; W25-Y44 AromaticContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CG 4.33Å; W25-Y44 AromaticContact CE2-CD2 3.84Å; W25-Y44 VanDerWaalsContact CE3-N 3.26Å; W25-Y44 HydrophobicContact CG-CD2 4.06Å; W25-Y44 HydrophobicContact CZ2-CD2 4.38Å; W25-Y44 HydrophobicContact CZ2-CG 4.23Å; W25-Y44 VanDerWaalsContact CZ3-CB 3.48Å; W25-Y44 AromaticContact NE1-CD2 3.85Å; W25-D49 HydrophobicContact CH2-CB 3.98Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.34Å; W25-D49 WeakPolarHBondContact CZ3-O 3.23Å; W25-R90 VanDerWaalsContact O-O 3.08Å
26	M	95.4	Very high	92	Very high	4 Å²	4	53 Å²	53	2%	0.02	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	115.2	167.8	-174.9	67.5	72.6	0	0	109.1	A16 Y19 F21 R42 I43 A71 C88	A16-M26 HydrophobicContact CB-CE 4.36Å; Y19-M26 VanDerWaalsContact OH-CE 3.23Å; Y19-M26 WeakPolarHBondContact OH-CE 3.16Å; F21-M26 HydrophobicContact CD2-CE 4.3Å; F21-M26 HydrophobicContact CE2-CE 3.86Å; M26-R42 CarbonylContact O-C 3.55Å; M26-R42 WeakPolarHBondContact O-CA 3.28Å; M26-R42 WeakPolarHBondContact O-CB 3.39Å; M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 3.27Å; M26-I43 PolarHBondContact O-N 3.03Å; M26-A71 HydrophobicContact CB-CB 4.15Å; M26-A71 HydrophobicContact CE-CB 4.42Å; M26-A71 HydrophobicContact CG-CB 3.69Å; M26-C88 HydrophobicContact CG-CB 4.4Å; M26-C88 HydrophobicContact SD-CB 3.75Å
27	N	96.3	Very high	92	Very high	12 Å²	12	57 Å²	57	6%	0.064	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	148.9	176.7	-59.8	-90.3	0	0	0	110.4	W39 G41 R42 C88 A89 R90 L92	N27-W39 PolarHBondContact OD1-NE1 2.81Å; N27-W39 VanDerWaalsContact OD1-NE1 3.12Å; N27-G41 CarbonylContact C-O 3.5Å; N27-G41 WeakPolarHBondContact CA-O 3.5Å; N27-R42 HydrophobicContact CB-CB 4.48Å; N27-R42 WeakPolarHBondContact OD1-CB 2.96Å; N27-C88 CarbonylContact O-C 3.48Å; N27-C88 WeakPolarHBondContact O-CA 3.04Å; N27-A89 WeakPolarHBondContact CA-O 3.29Å; N27-A89 HydrophobicContact CB-CB 4.47Å; N27-A89 VanDerWaalsContact CB-O 3.28Å; N27-A89 WeakPolarHBondContact CB-O 3.47Å; N27-A89 PolarHBondContact N-O 3.33Å; N27-A89 PolarHBondContact ND2-O 3.45Å; N27-A89 VanDerWaalsContact ND2-O 3.08Å; N27-A89 PolarHBondContact O-N 3.5Å; N27-R90 PolarHBondContact ND2-O 2.91Å; N27-R90 VanDerWaalsContact ND2-O 3.17Å; N27-L92 HydrophobicContact CB-CD1 3.78Å; N27-L92 HydrophobicContact CB-CG 4.18Å
28	W	97.3	Very high	92.2	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	-120	135.4	171.9	-69.4	91.9	0	0	0	110	I12 C14 I40 G41 L62 A71 M73 F87 C88	I12-W28 HydrophobicContact CB-CH2 4.24Å; I12-W28 HydrophobicContact CB-CZ3 4.04Å; I12-W28 HydrophobicContact CG2-CH2 4.07Å; I12-W28 HydrophobicContact CG2-CZ3 3.74Å; C14-W28 HydrophobicContact CB-CH2 3.71Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.33Å; W28-I40 WeakPolarHBondContact O-CB 3Å; W28-I40 PolarHBondContact O-N 2.79Å; W28-G41 PolarHBondContact N-O 3.44Å; W28-L62 VanDerWaalsContact CD1-CD2 3.48Å; W28-L62 HydrophobicContact CG-CD2 4.01Å; W28-A71 HydrophobicContact CZ2-CB 4.17Å; W28-M73 HydrophobicContact CB-SD 3.9Å; W28-M73 HydrophobicContact CD2-CB 3.62Å; W28-M73 HydrophobicContact CD2-CG 4.42Å; W28-M73 HydrophobicContact CD2-SD 4.1Å; W28-M73 HydrophobicContact CE3-CB 3.83Å; W28-M73 HydrophobicContact CE3-CE 3.92Å; W28-M73 HydrophobicContact CE3-SD 4.09Å; W28-M73 HydrophobicContact CG-CB 4.14Å; W28-M73 HydrophobicContact CG-SD 4.05Å; W28-M73 HydrophobicContact CH2-CB 4.06Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.05Å; W28-M73 HydrophobicContact CZ3-CE 4.39Å; W28-F87 WeakPolarHBondContact CA-O 2.95Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.22Å; W28-C88 HydrophobicContact CH2-CB 4.34Å; W28-C88 HydrophobicContact CZ3-CB 4.17Å
29	V	96.3	Very high	92.7	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.012	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	136.2	-172.6	-176.1	0	0	0	0	109.5	L37 E38 Y86 F87 L92 W97	V29-L37 HydrophobicContact CG1-CB 3.78Å; V29-L37 HydrophobicContact CG1-CD2 3.96Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.21Å; V29-Y86 CarbonylContact O-C 3.37Å; V29-Y86 WeakPolarHBondContact O-CA 3.21Å; V29-F87 PolarHBondContact N-O 2.94Å; V29-F87 PolarHBondContact O-N 2.86Å; V29-L92 HydrophobicContact CG2-CD1 4.13Å; V29-L92 HydrophobicContact CG2-CD2 4.37Å; V29-W97 HydrophobicContact CB-CH2 4.32Å; V29-W97 HydrophobicContact CB-CZ3 3.91Å; V29-W97 HydrophobicContact CG1-CH2 4.25Å; V29-W97 HydrophobicContact CG1-CZ3 4.15Å; V29-W97 HydrophobicContact CG2-CH2 3.93Å; V29-W97 HydrophobicContact CG2-CZ3 3.82Å
30	K	95.6	Very high	93.2	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.009	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	136.4	173.8	-177	177.5	-179.3	176	0	109.5	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.38Å; K30-E38 PolarHBondContact N-O 2.88Å; K30-E38 PolarHBondContact O-N 3.38Å; K30-I40 HydrophobicContact CB-CD1 4.01Å; K30-I40 HydrophobicContact CB-CG1 4.16Å; K30-F56 HydrophobicContact CB-CZ 4.42Å; K30-F56 HydrophobicContact CD-CE1 3.91Å; K30-F56 HydrophobicContact CD-CZ 4.02Å; K30-E81 PolarHBondContact NZ-O 3.28Å; K30-D82 IonicContact NZ-OD1 3.21Å; K30-D82 PolarHBondContact NZ-OD1 3.15Å; K30-A84 HydrophobicContact CD-CB 4.17Å; K30-A84 HydrophobicContact CG-CB 3.53Å; K30-Y86 HydrophobicContact CB-CD1 4.16Å; K30-Y86 HydrophobicContact CB-CE1 3.92Å; K30-Y86 HydrophobicContact CD-CE1 3.89Å; K30-Y86 WeakPolarHBondContact CE-OH 3.41Å; K30-Y86 HydrophobicContact CG-CD1 4.31Å; K30-Y86 HydrophobicContact CG-CE1 3.75Å
31	Q	95.1	Very high	93.5	Very high	74 Å²	74	47.8 Å²	47.8	35%	0.346	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	116.9	170.4	-168.1	-178.8	35.7	0	0	109.9	L37 A84 V85 F87	Q31-L37 HydrophobicContact CB-CD2 3.79Å; Q31-L37 HydrophobicContact CG-CD2 3.85Å; Q31-A84 WeakPolarHBondContact O-CA 3.38Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.08Å; Q31-V85 PolarHBondContact N-O 3.12Å; Q31-V85 PolarHBondContact O-N 2.77Å; Q31-F87 HydrophobicContact CB-CD2 4.35Å; Q31-F87 HydrophobicContact CB-CE2 3.76Å
32	R	92.5	Very high	93.7	Very high	69 Å²	69	51.5 Å²	51.5	26%	0.26	29%	0.294	S	S	.	.			trans	-89.5	148	171.7	-66.9	175.5	172.6	140.6	-18.4	110.1	G34 K35 E38 E81 A84	R32-G34 PolarHBondContact O-N 3.32Å; R32-K35 HydrophobicContact CB-CB 3.96Å; R32-K35 HydrophobicContact CB-CG 3.96Å; R32-K35 PolarHBondContact O-N 2.96Å; R32-E38 IonicContact CZ-OE2 3.66Å; R32-E38 IonicContact NE-OE2 3.99Å; R32-E38 IonicContact NH1-OE1 3.92Å; R32-E38 IonicContact NH1-OE2 2.85Å; R32-E38 PolarHBondContact NH1-OE2 3.21Å; R32-E81 PolarHBondContact NE-O 3.14Å; R32-E81 VanDerWaalsContact NE-O 3.08Å; R32-E81 PolarHBondContact NH2-O 2.99Å; R32-A84 HydrophobicContact CG-CB 4.13Å
33	P	87.9	Confident	93.9	Very high	119 Å²	119	48.9 Å²	48.9	77%	0.773	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	128.1	173.2	-25.5	34.5	0	0	0	111.4	K35	P33-K35 PolarHBondContact O-N 3.11Å
34	G	88.9	Confident	94.2	Very high	88 Å²	88	48.6 Å²	48.6	91%	0.907	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	10.5	-179.5	0	0	0	0	0	115.6	R32	R32-G34 PolarHBondContact O-N 3.32Å
35	K	90.2	Very high	94.4	Very high	143 Å²	143	47.8 Å²	47.8	62%	0.622	26%	0.259	S	S	*	.	S	Bend	trans	-120.4	161	175.2	-58.6	-67.5	-177.2	-179.4	0	111	R32 P33	R32-K35 HydrophobicContact CB-CB 3.96Å; R32-K35 HydrophobicContact CB-CG 3.96Å; R32-K35 PolarHBondContact O-N 2.96Å; P33-K35 PolarHBondContact O-N 3.11Å
36	G	90.1	Very high	94.4	Very high	57 Å²	57	45.7 Å²	45.7	59%	0.588	26%	0.258	S	S	*	.			trans	-68.2	173.6	173.2	0	0	0	0	0	113.2
37	L	92.9	Very high	94.4	Very high	94 Å²	94	51 Å²	51	49%	0.492	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	128.9	173.8	-64.1	174.8	0	0	0	110.4	V29 Q31 W97	V29-L37 HydrophobicContact CG1-CB 3.78Å; V29-L37 HydrophobicContact CG1-CD2 3.96Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; Q31-L37 HydrophobicContact CB-CD2 3.79Å; Q31-L37 HydrophobicContact CG-CD2 3.85Å; L37-W97 HydrophobicContact CD1-CH2 3.81Å; L37-W97 HydrophobicContact CD1-CZ2 4.27Å
38	E	94.9	Very high	94.3	Very high	37 Å²	37	52.4 Å²	52.4	17%	0.173	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	112.2	175.2	-61.1	-171.6	85.5	0	0	109.3	V29 K30 R32 I40 K55 F56	V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.21Å; K30-E38 HydrophobicContact CB-CB 4.38Å; K30-E38 PolarHBondContact N-O 2.88Å; K30-E38 PolarHBondContact O-N 3.38Å; R32-E38 IonicContact CZ-OE2 3.66Å; R32-E38 IonicContact NE-OE2 3.99Å; R32-E38 IonicContact NH1-OE1 3.92Å; R32-E38 IonicContact NH1-OE2 2.85Å; R32-E38 PolarHBondContact NH1-OE2 3.21Å; E38-I40 PolarHBondContact O-N 2.66Å; E38-K55 IonicContact OE1-NZ 3.72Å; E38-F56 HydrophobicContact CB-CE2 4.38Å; E38-F56 HydrophobicContact CB-CZ 4.3Å
39	W	95.6	Very high	94.3	Very high	78 Å²	78	56 Å²	56	30%	0.295	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	127.7	175.5	-177.5	78.1	0	0	0	110.5	N27 G41 R42 N51 N53 L92	N27-W39 PolarHBondContact OD1-NE1 2.81Å; N27-W39 VanDerWaalsContact OD1-NE1 3.12Å; W39-G41 VanDerWaalsContact CZ2-CA 3.42Å; W39-G41 PolarHBondContact NE1-O 2.9Å; W39-R42 HydrophobicContact CZ2-CB 4Å; W39-R42 HydrophobicContact CZ2-CG 3.81Å; W39-N51 HydrophobicContact CH2-CB 4.16Å; W39-N53 HydrophobicContact CE3-CB 3.77Å; W39-N53 HydrophobicContact CZ3-CB 4.01Å; W39-N53 WeakPolarHBondContact O-CB 3.22Å; W39-N53 PolarHBondContact O-ND2 3.04Å; W39-L92 VanDerWaalsContact CD1-CD1 3.49Å
40	I	96.9	Very high	94.4	Very high	0 Å²	0	58 Å²	58	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-47.8	-177.8	-61.9	173.5	0	0	0	110.2	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 3Å; W28-I40 PolarHBondContact O-N 2.79Å; K30-I40 HydrophobicContact CB-CD1 4.01Å; K30-I40 HydrophobicContact CB-CG1 4.16Å; E38-I40 PolarHBondContact O-N 2.66Å; I40-N53 WeakPolarHBondContact O-CB 3.3Å; I40-N53 PolarHBondContact O-N 3.23Å; I40-F56 HydrophobicContact CB-CD2 4.29Å; I40-F56 HydrophobicContact CB-CG 4.22Å; I40-F56 HydrophobicContact CG1-CD1 4.1Å; I40-F56 HydrophobicContact CG1-CD2 4.23Å; I40-F56 HydrophobicContact CG1-CE1 4.04Å; I40-F56 HydrophobicContact CG1-CE2 4.15Å; I40-F56 HydrophobicContact CG1-CG 4.19Å; I40-F56 HydrophobicContact CG1-CZ 4.06Å; I40-F56 HydrophobicContact CG2-CB 3.76Å; I40-F56 HydrophobicContact CG2-CD1 4.14Å; I40-F56 HydrophobicContact CG2-CD2 4.39Å; I40-F56 HydrophobicContact CG2-CG 3.85Å; I40-A60 HydrophobicContact CG2-CB 3.75Å; I40-M73 HydrophobicContact CD1-CE 3.99Å; I40-M73 HydrophobicContact CD1-SD 3.54Å; I40-M73 VanDerWaalsContact CD1-SD 3.54Å; I40-M73 HydrophobicContact CG2-SD 3.98Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.86Å
41	G	96.9	Very high	94.4	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.1	-179.1	-172.7	0	0	0	0	0	111.6	N27 W28 W39 N51	N27-G41 CarbonylContact C-O 3.5Å; N27-G41 WeakPolarHBondContact CA-O 3.5Å; W28-G41 PolarHBondContact N-O 3.44Å; W39-G41 VanDerWaalsContact CZ2-CA 3.42Å; W39-G41 PolarHBondContact NE1-O 2.9Å; G41-N51 CarbonylContact C-O 3.52Å; G41-N51 WeakPolarHBondContact CA-O 3.48Å
42	R	96.8	Very high	94.5	Very high	85 Å²	85	60.2 Å²	60.2	32%	0.321	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	154.9	174.5	67.3	-176.5	-179.3	-178.1	0.2	111.3	W25 M26 N27 W39 T50 N51	W25-R42 HydrophobicContact CD2-CG 4.24Å; W25-R42 HydrophobicContact CE3-CB 3.96Å; W25-R42 HydrophobicContact CE3-CG 3.43Å; W25-R42 VanDerWaalsContact CE3-CG 3.43Å; W25-R42 HydrophobicContact CZ3-CG 3.72Å; M26-R42 CarbonylContact O-C 3.55Å; M26-R42 WeakPolarHBondContact O-CA 3.28Å; M26-R42 WeakPolarHBondContact O-CB 3.39Å; N27-R42 HydrophobicContact CB-CB 4.48Å; N27-R42 WeakPolarHBondContact OD1-CB 2.96Å; W39-R42 HydrophobicContact CZ2-CB 4Å; W39-R42 HydrophobicContact CZ2-CG 3.81Å; R42-T50 VanDerWaalsContact O-CA 3.3Å; R42-T50 WeakPolarHBondContact O-CA 3.39Å; R42-N51 HydrophobicContact CG-CB 4.15Å; R42-N51 PolarHBondContact N-O 2.93Å; R42-N51 PolarHBondContact NE-OD1 3.39Å; R42-N51 VanDerWaalsContact NE-OD1 3.1Å; R42-N51 PolarHBondContact NH2-OD1 3.01Å; R42-N51 PolarHBondContact O-N 2.69Å
43	I	97.3	Very high	94.6	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.021	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	139.7	173.4	-176.7	165.7	0	0	0	110	M26 P45 D49 T50 L62 T63 A64 A71	M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 3.27Å; M26-I43 PolarHBondContact O-N 3.03Å; I43-P45 WeakPolarHBondContact O-CD 3.47Å; I43-D49 CarbonylContact C-O 3.54Å; I43-D49 VanDerWaalsContact CA-O 3.32Å; I43-D49 WeakPolarHBondContact CA-O 3.19Å; I43-T50 HydrophobicContact CB-CG2 3.96Å; I43-T50 HydrophobicContact CD1-CG2 3.97Å; I43-T50 HydrophobicContact CG1-CG2 3.8Å; I43-L62 HydrophobicContact CB-CB 4.08Å; I43-L62 HydrophobicContact CB-CD1 4.45Å; I43-L62 HydrophobicContact CD1-CB 4.37Å; I43-L62 HydrophobicContact CG2-CB 4.41Å; I43-T63 VanDerWaalsContact CD1-C 3.5Å; I43-A64 HydrophobicContact CD1-CB 3.94Å; I43-A71 HydrophobicContact CG2-CB 4.49Å
44	Y	96.3	Very high	94.9	Very high	61 Å²	61	56.5 Å²	56.5	24%	0.239	34%	0.339	C	S	.	.			trans	-99	107.8	168.3	-169.2	-110.6	0	0	0	108.6	S23 W25 G46 D47 G48 D49	S23-Y44 VanDerWaalsContact C-CE2 3.41Å; S23-Y44 WeakPolarHBondContact CA-OH 3.47Å; W25-Y44 AromaticContact CD1-CD2 3.99Å; W25-Y44 AromaticContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CG 4.33Å; W25-Y44 AromaticContact CE2-CD2 3.84Å; W25-Y44 VanDerWaalsContact CE3-N 3.26Å; W25-Y44 HydrophobicContact CG-CD2 4.06Å; W25-Y44 HydrophobicContact CZ2-CD2 4.38Å; W25-Y44 HydrophobicContact CZ2-CG 4.23Å; W25-Y44 VanDerWaalsContact CZ3-CB 3.48Å; W25-Y44 AromaticContact NE1-CD2 3.85Å; Y44-G46 PolarHBondContact O-N 2.97Å; Y44-G46 VanDerWaalsContact O-N 3.11Å; Y44-D47 WeakPolarHBondContact CD1-OD1 3.11Å; Y44-G48 VanDerWaalsContact O-CA 3.26Å; Y44-G48 WeakPolarHBondContact O-CA 2.99Å; Y44-G48 PolarHBondContact O-N 3.2Å; Y44-D49 PolarHBondContact N-O 3.26Å
45	P	95.8	Very high	95	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.019	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.8	-173.7	-22.8	35.4	0	0	0	114.3	F21 S24 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.85Å; F21-P45 HydrophobicContact CD1-CG 4.04Å; F21-P45 HydrophobicContact CD2-CG 4.04Å; F21-P45 HydrophobicContact CE1-CB 3.48Å; F21-P45 VanDerWaalsContact CE1-CB 3.48Å; F21-P45 HydrophobicContact CE1-CG 3.62Å; F21-P45 HydrophobicContact CE2-CB 4.4Å; F21-P45 HydrophobicContact CE2-CG 3.6Å; F21-P45 HydrophobicContact CG-CB 4.48Å; F21-P45 HydrophobicContact CG-CG 4.27Å; F21-P45 HydrophobicContact CZ-CB 3.79Å; F21-P45 HydrophobicContact CZ-CG 3.37Å; F21-P45 WeakPolarHBondContact O-CG 3.47Å; S24-P45 WeakPolarHBondContact O-CD 3.39Å; I43-P45 WeakPolarHBondContact O-CD 3.47Å; P45-A64 HydrophobicContact CB-CB 3.77Å; P45-A64 HydrophobicContact CG-CB 4.06Å; P45-K66 VanDerWaalsContact O-CD 3.3Å; P45-K66 WeakPolarHBondContact O-CD 3.38Å; P45-K66 WeakPolarHBondContact O-CE 3.34Å; P45-K66 WeakPolarHBondContact O-CG 3.01Å
46	G	94.6	Very high	95.2	Very high	25 Å²	25	53.6 Å²	53.6	26%	0.258	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-52	-178.9	0	0	0	0	0	113	S22 Y44 K66	S22-G46 WeakPolarHBondContact O-CA 3.36Å; S22-G46 PolarHBondContact O-N 3.14Å; S22-G46 VanDerWaalsContact O-N 3.1Å; Y44-G46 PolarHBondContact O-N 2.97Å; Y44-G46 VanDerWaalsContact O-N 3.11Å; G46-K66 PolarHBondContact O-NZ 2.71Å
47	D	94.9	Very high	95.3	Very high	117 Å²	117	58.6 Å²	58.6	63%	0.626	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	-9.6	-178.8	56.1	20.8	0	0	0	113.4	Y44 D49	Y44-D47 WeakPolarHBondContact CD1-OD1 3.11Å; D47-D49 VanDerWaalsContact OD1-CB 3.31Å; D47-D49 WeakPolarHBondContact OD1-CB 3.3Å; D47-D49 PolarHBondContact OD1-N 2.95Å
48	G	94.8	Very high	95.2	Very high	41 Å²	41	57.4 Å²	57.4	42%	0.423	32%	0.318	S	S	.	.			trans	84.8	11	-178.1	0	0	0	0	0	114	Y44	Y44-G48 VanDerWaalsContact O-CA 3.26Å; Y44-G48 WeakPolarHBondContact O-CA 2.99Å; Y44-G48 PolarHBondContact O-N 3.2Å
49	D	96.5	Very high	95.1	Very high	77 Å²	77	57.8 Å²	57.8	41%	0.412	32%	0.319	S	S	.	.			trans	-60.1	140.4	176.5	-172.6	25.3	0	0	0	110.8	W25 I43 Y44 D47	W25-D49 HydrophobicContact CH2-CB 3.98Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.34Å; W25-D49 WeakPolarHBondContact CZ3-O 3.23Å; I43-D49 CarbonylContact C-O 3.54Å; I43-D49 VanDerWaalsContact CA-O 3.32Å; I43-D49 WeakPolarHBondContact CA-O 3.19Å; Y44-D49 PolarHBondContact N-O 3.26Å; D47-D49 VanDerWaalsContact OD1-CB 3.31Å; D47-D49 WeakPolarHBondContact OD1-CB 3.3Å; D47-D49 PolarHBondContact OD1-N 2.95Å
50	T	97.4	Very high	95.2	Very high	44 Å²	44	54.2 Å²	54.2	27%	0.27	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	138.7	-176.8	54.4	0	0	0	0	111.3	R42 I43 Y52 L62	R42-T50 VanDerWaalsContact O-CA 3.3Å; R42-T50 WeakPolarHBondContact O-CA 3.39Å; I43-T50 HydrophobicContact CB-CG2 3.96Å; I43-T50 HydrophobicContact CD1-CG2 3.97Å; I43-T50 HydrophobicContact CG1-CG2 3.8Å; T50-Y52 HydrophobicContact CG2-CE2 4.5Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.41Å; T50-L62 HydrophobicContact CG2-CB 4.1Å
51	N	96.4	Very high	95.2	Very high	55 Å²	55	57.6 Å²	57.6	29%	0.294	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	140	169	-53.6	158.5	0	0	0	108.8	W39 G41 R42	W39-N51 HydrophobicContact CH2-CB 4.16Å; G41-N51 CarbonylContact C-O 3.52Å; G41-N51 WeakPolarHBondContact CA-O 3.48Å; R42-N51 HydrophobicContact CG-CB 4.15Å; R42-N51 PolarHBondContact N-O 2.93Å; R42-N51 PolarHBondContact NE-OD1 3.39Å; R42-N51 VanDerWaalsContact NE-OD1 3.1Å; R42-N51 PolarHBondContact NH2-OD1 3.01Å; R42-N51 PolarHBondContact O-N 2.69Å
52	Y	96.9	Very high	95.2	Very high	67 Å²	67	58 Å²	58	26%	0.263	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148.8	-177.8	-66.3	-90.9	0	0	0	110.6	T50 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.5Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.41Å; Y52-A60 HydrophobicContact CE1-CB 4.41Å; Y52-A60 VanDerWaalsContact CE1-O 3.23Å; Y52-A60 WeakPolarHBondContact CE1-O 3.5Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 3Å
53	N	95.6	Very high	95.3	Very high	49 Å²	49	56.9 Å²	56.9	26%	0.262	33%	0.332	S	S	.	.			trans	-71.2	134.9	157.6	-177.9	-23.4	0	0	0	108.7	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.77Å; W39-N53 HydrophobicContact CZ3-CB 4.01Å; W39-N53 WeakPolarHBondContact O-CB 3.22Å; W39-N53 PolarHBondContact O-ND2 3.04Å; I40-N53 WeakPolarHBondContact O-CB 3.3Å; I40-N53 PolarHBondContact O-N 3.23Å; N53-K55 PolarHBondContact O-N 2.81Å; N53-K55 PolarHBondContact OD1-N 3.12Å; N53-F56 HydrophobicContact CB-CD2 4.03Å; N53-F56 PolarHBondContact O-N 2.8Å; N53-K57 PolarHBondContact O-N 3.41Å
54	G	93.8	Very high	95.3	Very high	62 Å²	62	58.3 Å²	58.3	64%	0.639	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-51.6	-34.3	-178.6	0	0	0	0	0	113.8	F56 K57	G54-F56 PolarHBondContact O-N 3.17Å; G54-K57 PolarHBondContact O-N 2.82Å
55	K	91.4	Very high	95.3	Very high	156 Å²	156	58 Å²	58	68%	0.678	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-62	-27.7	177.6	-67.2	-175	-179.6	-179	0	114.4	E38 N53	E38-K55 IonicContact OE1-NZ 3.72Å; N53-K55 PolarHBondContact O-N 2.81Å; N53-K55 PolarHBondContact OD1-N 3.12Å
56	F	93.4	Very high	95.2	Very high	13 Å²	13	63.6 Å²	63.6	6%	0.057	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-109.5	-2.3	-174.7	-62.5	-85.3	0	0	0	112.7	K30 E38 I40 N53 G54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.42Å; K30-F56 HydrophobicContact CD-CE1 3.91Å; K30-F56 HydrophobicContact CD-CZ 4.02Å; E38-F56 HydrophobicContact CB-CE2 4.38Å; E38-F56 HydrophobicContact CB-CZ 4.3Å; I40-F56 HydrophobicContact CB-CD2 4.29Å; I40-F56 HydrophobicContact CB-CG 4.22Å; I40-F56 HydrophobicContact CG1-CD1 4.1Å; I40-F56 HydrophobicContact CG1-CD2 4.23Å; I40-F56 HydrophobicContact CG1-CE1 4.04Å; I40-F56 HydrophobicContact CG1-CE2 4.15Å; I40-F56 HydrophobicContact CG1-CG 4.19Å; I40-F56 HydrophobicContact CG1-CZ 4.06Å; I40-F56 HydrophobicContact CG2-CB 3.76Å; I40-F56 HydrophobicContact CG2-CD1 4.14Å; I40-F56 HydrophobicContact CG2-CD2 4.39Å; I40-F56 HydrophobicContact CG2-CG 3.85Å; N53-F56 HydrophobicContact CB-CD2 4.03Å; N53-F56 PolarHBondContact O-N 2.8Å; G54-F56 PolarHBondContact O-N 3.17Å; F56-G58 PolarHBondContact O-N 3.08Å; F56-K59 PolarHBondContact O-N 2.87Å; F56-A60 HydrophobicContact CB-CB 4.45Å; F56-A60 PolarHBondContact O-N 2.86Å
57	K	91.8	Very high	95.1	Very high	162 Å²	162	67.7 Å²	67.7	70%	0.704	40%	0.395	S	S	*	.	B	Isolated β-bridge	trans	-62.6	123.4	176.1	-165	175	-175.8	179.4	0	109.1	N53 G54 K59	N53-K57 PolarHBondContact O-N 3.41Å; G54-K57 PolarHBondContact O-N 2.82Å; K57-K59 VanDerWaalsContact C-N 3.27Å; K57-K59 PolarHBondContact O-N 2.88Å
58	G	91	Very high	95.1	Very high	70 Å²	70	63.9 Å²	63.9	72%	0.722	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	-18.1	-175.5	0	0	0	0	0	115	F56	F56-G58 PolarHBondContact O-N 3.08Å
59	K	93.6	Very high	95.2	Very high	44 Å²	44	63.8 Å²	63.8	19%	0.191	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-39.3	173.6	-174.6	71.1	176.2	-163.1	0	112.2	F56 K57 L75 S76 S77 D82	F56-K59 PolarHBondContact O-N 2.87Å; K57-K59 VanDerWaalsContact C-N 3.27Å; K57-K59 PolarHBondContact O-N 2.88Å; K59-L75 WeakPolarHBondContact O-CA 3.42Å; K59-S76 WeakPolarHBondContact CD-O 3.14Å; K59-S76 WeakPolarHBondContact CE-O 3.43Å; K59-S76 PolarHBondContact NZ-O 2.85Å; K59-S76 PolarHBondContact O-N 2.02Å; K59-S76 PolarHBondContact O-OG 2.8Å; K59-S77 PolarHBondContact NZ-O 2.85Å; K59-D82 WeakPolarHBondContact CE-OD2 3.39Å; K59-D82 IonicContact NZ-OD2 2.71Å; K59-D82 PolarHBondContact NZ-OD2 3.19Å
60	A	96.3	Very high	95.2	Very high	4 Å²	4	60.7 Å²	60.7	3%	0.033	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	138	-179.9	0	0	0	0	0	110.9	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.75Å; Y52-A60 HydrophobicContact CE1-CB 4.41Å; Y52-A60 VanDerWaalsContact CE1-O 3.23Å; Y52-A60 WeakPolarHBondContact CE1-O 3.5Å; F56-A60 HydrophobicContact CB-CB 4.45Å; F56-A60 PolarHBondContact O-N 2.86Å; A60-M73 HydrophobicContact CB-CG 4.34Å; A60-M73 HydrophobicContact CB-SD 4.46Å; A60-Q74 CarbonylContact C-O 3.56Å; A60-Q74 WeakPolarHBondContact CA-O 3.13Å; A60-L75 HydrophobicContact CB-CD2 3.93Å
61	T	97.5	Very high	95.2	Very high	70 Å²	70	58.6 Å²	58.6	43%	0.429	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.2	169.2	-59.4	0	0	0	0	108.8	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.38Å; T61-M73 WeakPolarHBondContact O-CA 3.44Å; T61-Q74 PolarHBondContact N-O 2.96Å; T61-Q74 PolarHBondContact O-N 2.86Å
62	L	97.9	Very high	95.2	Very high	9 Å²	9	58.4 Å²	58.4	5%	0.047	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.1	178.8	-52.2	-176.2	0	0	0	110.3	W28 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.48Å; W28-L62 HydrophobicContact CG-CD2 4.01Å; I43-L62 HydrophobicContact CB-CB 4.08Å; I43-L62 HydrophobicContact CB-CD1 4.45Å; I43-L62 HydrophobicContact CD1-CB 4.37Å; I43-L62 HydrophobicContact CG2-CB 4.41Å; T50-L62 HydrophobicContact CG2-CB 4.1Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 3Å; L62-Y72 WeakPolarHBondContact CA-O 3.21Å; L62-M73 HydrophobicContact CD2-CB 3.75Å; L62-M73 HydrophobicContact CD2-CG 3.65Å; L62-M73 HydrophobicContact CD2-SD 4.3Å
63	T	97.6	Very high	95.3	Very high	61 Å²	61	55.2 Å²	55.2	37%	0.374	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	163.5	174.4	56.1	0	0	0	0	110.4	I43 T61 Y72	I43-T63 VanDerWaalsContact CD1-C 3.5Å; T61-T63 HydrophobicContact CG2-CG2 4.38Å; T63-Y72 PolarHBondContact N-O 3.22Å; T63-Y72 PolarHBondContact O-N 2.95Å
64	A	97.2	Very high	95.3	Very high	35 Å²	35	57 Å²	57	29%	0.289	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	141.2	177.3	0	0	0	0	0	111	F21 I43 P45 T70	F21-A64 HydrophobicContact CE1-CB 4.1Å; F21-A64 HydrophobicContact CZ-CB 3.96Å; I43-A64 HydrophobicContact CD1-CB 3.94Å; P45-A64 HydrophobicContact CB-CB 3.77Å; P45-A64 HydrophobicContact CG-CB 4.06Å; A64-T70 WeakPolarHBondContact CA-O 3.47Å
65	D	96.1	Very high	95.4	Very high	53 Å²	53	54.1 Å²	54.1	28%	0.283	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	110.8	169.5	173.7	12.4	0	0	0	108.9	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 VanDerWaalsContact CG-OG 3.32Å; D65-S67 PolarHBondContact O-N 3.02Å; D65-S67 WeakPolarHBondContact OD1-CB 2.98Å; D65-S67 PolarHBondContact OD1-N 3.1Å; D65-S67 PolarHBondContact OD1-OG 2.8Å; D65-S67 PolarHBondContact OD2-OG 2.91Å; D65-S68 VanDerWaalsContact OD2-CB 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 3.42Å; D65-S68 PolarHBondContact OD2-OG 3.02Å; D65-S69 WeakPolarHBondContact O-CA 3.48Å; D65-S69 PolarHBondContact O-N 2.85Å; D65-S69 VanDerWaalsContact O-N 3.1Å; D65-T70 PolarHBondContact N-O 3.21Å; D65-T70 PolarHBondContact O-N 2.95Å; D65-Y72 HydrophobicContact CB-CE2 4Å
66	K	94.3	Very high	95.5	Very high	122 Å²	122	48.2 Å²	48.2	53%	0.53	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-33.5	-178.7	-57.1	-178.8	-135.8	-170.3	0	111.6	P45 G46 S69	P45-K66 VanDerWaalsContact O-CD 3.3Å; P45-K66 WeakPolarHBondContact O-CD 3.38Å; P45-K66 WeakPolarHBondContact O-CE 3.34Å; P45-K66 WeakPolarHBondContact O-CG 3.01Å; G46-K66 PolarHBondContact O-NZ 2.71Å; K66-S69 PolarHBondContact O-N 3Å
67	S	93.1	Very high	95.4	Very high	110 Å²	110	51.1 Å²	51.1	77%	0.769	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-40.7	-175.5	71.7	0	0	0	0	111.7	D65	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 VanDerWaalsContact CG-OG 3.32Å; D65-S67 PolarHBondContact O-N 3.02Å; D65-S67 WeakPolarHBondContact OD1-CB 2.98Å; D65-S67 PolarHBondContact OD1-N 3.1Å; D65-S67 PolarHBondContact OD1-OG 2.8Å; D65-S67 PolarHBondContact OD2-OG 2.91Å
68	S	95.3	Very high	95.4	Very high	38 Å²	38	43.5 Å²	43.5	27%	0.266	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-0.8	177.2	66	0	0	0	0	113.7	D65 T70	D65-S68 VanDerWaalsContact OD2-CB 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 3.42Å; D65-S68 PolarHBondContact OD2-OG 3.02Å; S68-T70 PolarHBondContact O-N 2.87Å; S68-T70 PolarHBondContact O-OG1 2.95Å; S68-T70 VanDerWaalsContact O-OG1 3.1Å; S68-T70 WeakPolarHBondContact OG-CB 3.32Å; S68-T70 PolarHBondContact OG-OG1 3.31Å
69	S	95.8	Very high	95.3	Very high	39 Å²	39	43 Å²	43	27%	0.273	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	41.8	-172.1	-62.8	0	0	0	0	112.9	A16 F21 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.32Å; A16-S69 PolarHBondContact N-O 2.8Å; F21-S69 VanDerWaalsContact CD1-CA 3.47Å; D65-S69 WeakPolarHBondContact O-CA 3.48Å; D65-S69 PolarHBondContact O-N 2.85Å; D65-S69 VanDerWaalsContact O-N 3.1Å; K66-S69 PolarHBondContact O-N 3Å
70	T	97	Very high	95.1	Very high	11 Å²	11	44.1 Å²	44.1	7%	0.067	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.1	-174.3	-54.5	0	0	0	0	110.9	C14 A64 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.42Å; A64-T70 WeakPolarHBondContact CA-O 3.47Å; D65-T70 PolarHBondContact N-O 3.21Å; D65-T70 PolarHBondContact O-N 2.95Å; S68-T70 PolarHBondContact O-N 2.87Å; S68-T70 PolarHBondContact O-OG1 2.95Å; S68-T70 VanDerWaalsContact O-OG1 3.1Å; S68-T70 WeakPolarHBondContact OG-CB 3.32Å; S68-T70 PolarHBondContact OG-OG1 3.31Å; T70-Y72 HydrophobicContact CG2-CD1 4.2Å; T70-Y72 HydrophobicContact CG2-CD2 4.48Å; T70-Y72 HydrophobicContact CG2-CE1 3.57Å; T70-Y72 HydrophobicContact CG2-CE2 3.88Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.42Å
71	A	97.1	Very high	94.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	150.5	167.5	0	0	0	0	0	110	S13 C14 F21 M26 W28 I43	S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.48Å; C14-A71 PolarHBondContact N-O 3.27Å; C14-A71 PolarHBondContact O-N 2.85Å; F21-A71 HydrophobicContact CE2-CB 4.08Å; F21-A71 HydrophobicContact CZ-CB 3.91Å; M26-A71 HydrophobicContact CB-CB 4.15Å; M26-A71 HydrophobicContact CE-CB 4.42Å; M26-A71 HydrophobicContact CG-CB 3.69Å; W28-A71 HydrophobicContact CZ2-CB 4.17Å; I43-A71 HydrophobicContact CG2-CB 4.49Å
72	Y	97.6	Very high	94.4	Very high	51 Å²	51	47.6 Å²	47.6	20%	0.2	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143.7	177.1	-54.4	-85.6	0	0	0	111.1	K11 I12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.31Å; K11-Y72 VanDerWaalsContact CE-CB 3.48Å; K11-Y72 HydrophobicContact CG-CD1 4.3Å; I12-Y72 CarbonylContact O-C 3.55Å; I12-Y72 WeakPolarHBondContact O-CA 3.3Å; S13-Y72 VanDerWaalsContact CB-CE1 3.49Å; L62-Y72 WeakPolarHBondContact CA-O 3.21Å; T63-Y72 PolarHBondContact N-O 3.22Å; T63-Y72 PolarHBondContact O-N 2.95Å; D65-Y72 HydrophobicContact CB-CE2 4Å; T70-Y72 HydrophobicContact CG2-CD1 4.2Å; T70-Y72 HydrophobicContact CG2-CD2 4.48Å; T70-Y72 HydrophobicContact CG2-CE1 3.57Å; T70-Y72 HydrophobicContact CG2-CE2 3.88Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.42Å
73	M	97.6	Very high	94.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120	166.9	177.2	-179.5	71	0	0	108.5	I12 W28 I40 A60 T61 L62 L75 Y86	I12-M73 HydrophobicContact CD1-CE 3.55Å; I12-M73 HydrophobicContact CG1-CE 4.29Å; I12-M73 PolarHBondContact N-O 2.98Å; I12-M73 PolarHBondContact O-N 3.13Å; W28-M73 HydrophobicContact CB-SD 3.9Å; W28-M73 HydrophobicContact CD2-CB 3.62Å; W28-M73 HydrophobicContact CD2-CG 4.42Å; W28-M73 HydrophobicContact CD2-SD 4.1Å; W28-M73 HydrophobicContact CE3-CB 3.83Å; W28-M73 HydrophobicContact CE3-CE 3.92Å; W28-M73 HydrophobicContact CE3-SD 4.09Å; W28-M73 HydrophobicContact CG-CB 4.14Å; W28-M73 HydrophobicContact CG-SD 4.05Å; W28-M73 HydrophobicContact CH2-CB 4.06Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.05Å; W28-M73 HydrophobicContact CZ3-CE 4.39Å; I40-M73 HydrophobicContact CD1-CE 3.99Å; I40-M73 HydrophobicContact CD1-SD 3.54Å; I40-M73 VanDerWaalsContact CD1-SD 3.54Å; I40-M73 HydrophobicContact CG2-SD 3.98Å; A60-M73 HydrophobicContact CB-CG 4.34Å; A60-M73 HydrophobicContact CB-SD 4.46Å; T61-M73 WeakPolarHBondContact O-CA 3.44Å; L62-M73 HydrophobicContact CD2-CB 3.75Å; L62-M73 HydrophobicContact CD2-CG 3.65Å; L62-M73 HydrophobicContact CD2-SD 4.3Å; M73-L75 HydrophobicContact CE-CD1 3.9Å; M73-L75 HydrophobicContact CE-CD2 4.18Å; M73-L75 HydrophobicContact CE-CG 3.95Å; M73-L75 HydrophobicContact CG-CD2 4.39Å; M73-L75 HydrophobicContact CG-CG 4.41Å; M73-L75 HydrophobicContact SD-CD2 4.11Å; M73-L75 HydrophobicContact SD-CG 4.41Å; 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 4.05Å
74	Q	96.8	Very high	94	Very high	87 Å²	87	46.2 Å²	46.2	41%	0.407	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122.3	170.4	-176.1	173.6	-1.6	0	0	109.2	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.54Å; V10-Q74 VanDerWaalsContact O-CA 3.29Å; V10-Q74 WeakPolarHBondContact O-CA 3.31Å; A60-Q74 CarbonylContact C-O 3.56Å; A60-Q74 WeakPolarHBondContact CA-O 3.13Å; T61-Q74 PolarHBondContact N-O 2.96Å; T61-Q74 PolarHBondContact O-N 2.86Å
75	L	94.9	Very high	94	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.2	171.2	-64.6	169.2	0	0	0	108.6	S9 V10 I12 K59 A60 M73 L78 Y86 L103	S9-L75 CarbonylContact C-O 3.6Å; S9-L75 WeakPolarHBondContact CA-O 3.29Å; S9-L75 WeakPolarHBondContact CB-O 3.22Å; V10-L75 HydrophobicContact CG1-CB 4.05Å; V10-L75 HydrophobicContact CG1-CD1 4.33Å; V10-L75 PolarHBondContact N-O 2.77Å; V10-L75 PolarHBondContact O-N 3.17Å; I12-L75 HydrophobicContact CD1-CD1 4.42Å; K59-L75 WeakPolarHBondContact O-CA 3.42Å; A60-L75 HydrophobicContact CB-CD2 3.93Å; M73-L75 HydrophobicContact CE-CD1 3.9Å; M73-L75 HydrophobicContact CE-CD2 4.18Å; M73-L75 HydrophobicContact CE-CG 3.95Å; M73-L75 HydrophobicContact CG-CD2 4.39Å; M73-L75 HydrophobicContact CG-CG 4.41Å; M73-L75 HydrophobicContact SD-CD2 4.11Å; M73-L75 HydrophobicContact SD-CG 4.41Å; L75-L78 HydrophobicContact CB-CD2 3.74Å; L75-L78 HydrophobicContact CD1-CD2 4.09Å; L75-Y86 HydrophobicContact CD1-CD1 4.15Å; L75-Y86 HydrophobicContact CD1-CE1 3.56Å; L75-Y86 HydrophobicContact CD1-CE2 4.17Å; L75-L103 HydrophobicContact CD1-CD1 4.04Å
76	S	93.5	Very high	94	Very high	33 Å²	33	43.8 Å²	43.8	23%	0.231	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-101.1	155.3	179.2	56.7	0	0	0	0	112.5	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.27Å; K59-S76 WeakPolarHBondContact CD-O 3.14Å; K59-S76 WeakPolarHBondContact CE-O 3.43Å; K59-S76 PolarHBondContact NZ-O 2.85Å; K59-S76 PolarHBondContact O-N 2.02Å; K59-S76 PolarHBondContact O-OG 2.8Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.9Å
77	S	91.5	Very high	94.1	Very high	73 Å²	73	39.4 Å²	39.4	51%	0.51	23%	0.234	S	C	.	.	S	Bend	trans	49.8	48.9	170.2	-55.5	0	0	0	0	113.6	A8 K59	A8-S77 PolarHBondContact O-N 2.85Å; K59-S77 PolarHBondContact NZ-O 2.85Å
78	L	90.8	Very high	94.2	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	20%	0.202	C	C	.	.			trans	-56.6	138.9	-172.7	-69.6	166.1	0	0	0	112.1	V4 P6 G7 A8 V10 L75 S76 D82	V4-L78 HydrophobicContact CB-CD1 4Å; V4-L78 HydrophobicContact CG1-CD1 4.27Å; V4-L78 HydrophobicContact CG2-CD1 3.64Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.23Å; G7-L78 PolarHBondContact N-O 2.92Å; A8-L78 WeakPolarHBondContact O-CG 3.22Å; A8-L78 PolarHBondContact O-N 2.92Å; V10-L78 HydrophobicContact CB-CD1 3.85Å; V10-L78 HydrophobicContact CG1-CD1 3.46Å; V10-L78 VanDerWaalsContact CG1-CD1 3.46Å; V10-L78 HydrophobicContact CG1-CD2 4.31Å; V10-L78 HydrophobicContact CG1-CG 4.37Å; L75-L78 HydrophobicContact CB-CD2 3.74Å; L75-L78 HydrophobicContact CD1-CD2 4.09Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.9Å; L78-D82 HydrophobicContact CD2-CB 3.69Å
79	T	90.8	Very high	94.1	Very high	61 Å²	61	33.1 Å²	33.1	37%	0.374	19%	0.19	S	C	.	.			trans	-118.9	170.5	172.9	68.5	0	0	0	0	110.1	E81 D82 A105	T79-E81 PolarHBondContact O-N 2.85Å; T79-E81 VanDerWaalsContact O-N 3.14Å; T79-E81 PolarHBondContact OG1-N 3.43Å; T79-D82 PolarHBondContact N-OD2 3.35Å; T79-D82 WeakPolarHBondContact O-CA 3.5Å; T79-D82 VanDerWaalsContact O-CB 3.32Å; T79-D82 WeakPolarHBondContact O-CB 3.45Å; T79-D82 PolarHBondContact O-N 3.42Å; T79-D82 PolarHBondContact OG1-OD2 2.82Å; T79-A105 VanDerWaalsContact O-CB 3.29Å; T79-A105 WeakPolarHBondContact O-CB 3.5Å
80	S	88.4	Confident	93.8	Very high	66 Å²	66	34.2 Å²	34.2	46%	0.462	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-56	-30	175.5	53.2	0	0	0	0	112.7	D82 S83 A105	S80-D82 PolarHBondContact O-N 2.85Å; S80-S83 VanDerWaalsContact O-CB 3.25Å; S80-S83 WeakPolarHBondContact O-CB 3.37Å; S80-S83 PolarHBondContact O-N 2.83Å; S80-S83 VanDerWaalsContact O-N 3.11Å; S80-S83 PolarHBondContact O-OG 2.86Å; S80-A105 WeakPolarHBondContact CA-O 3.41Å
81	E	87.9	Confident	93	Very high	135 Å²	135	38.1 Å²	38.1	63%	0.631	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-69	-14	175.5	-58.2	-173.7	176.5	0	0	114.4	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 3.28Å; R32-E81 PolarHBondContact NE-O 3.14Å; R32-E81 VanDerWaalsContact NE-O 3.08Å; R32-E81 PolarHBondContact NH2-O 2.99Å; T79-E81 PolarHBondContact O-N 2.85Å; T79-E81 VanDerWaalsContact O-N 3.14Å; T79-E81 PolarHBondContact OG1-N 3.43Å; E81-S83 VanDerWaalsContact C-N 3.32Å
82	D	91.2	Very high	92	Very high	13 Å²	13	41.5 Å²	41.5	7%	0.07	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-84.7	-6.2	173.4	-63.8	-46	0	0	0	113.4	K30 K59 L78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.21Å; K30-D82 PolarHBondContact NZ-OD1 3.15Å; K59-D82 WeakPolarHBondContact CE-OD2 3.39Å; K59-D82 IonicContact NZ-OD2 2.71Å; K59-D82 PolarHBondContact NZ-OD2 3.19Å; L78-D82 HydrophobicContact CD2-CB 3.69Å; T79-D82 PolarHBondContact N-OD2 3.35Å; T79-D82 WeakPolarHBondContact O-CA 3.5Å; T79-D82 VanDerWaalsContact O-CB 3.32Å; T79-D82 WeakPolarHBondContact O-CB 3.45Å; T79-D82 PolarHBondContact O-N 3.42Å; T79-D82 PolarHBondContact OG1-OD2 2.82Å; S80-D82 PolarHBondContact O-N 2.85Å; D82-A84 PolarHBondContact O-N 3.1Å; D82-A84 VanDerWaalsContact O-N 3.14Å; D82-Y86 WeakPolarHBondContact O-CE2 3.03Å; D82-Y86 PolarHBondContact O-OH 3.11Å
83	S	92.9	Very high	90.2	Very high	35 Å²	35	44.3 Å²	44.3	25%	0.245	25%	0.248	C	C	.	.			trans	-64.1	113.3	172.1	-57.6	0	0	0	0	110.6	S80 E81 L103 A105	S80-S83 VanDerWaalsContact O-CB 3.25Å; S80-S83 WeakPolarHBondContact O-CB 3.37Å; S80-S83 PolarHBondContact O-N 2.83Å; S80-S83 VanDerWaalsContact O-N 3.11Å; S80-S83 PolarHBondContact O-OG 2.86Å; E81-S83 VanDerWaalsContact C-N 3.32Å; S83-L103 VanDerWaalsContact CA-O 3.32Å; S83-L103 WeakPolarHBondContact CA-O 3.47Å; S83-A105 PolarHBondContact OG-N 2.79Å; S83-A105 PolarHBondContact OG-O 3.24Å
84	A	95	Very high	88.8	Confident	5 Å²	5	56 Å²	56	4%	0.041	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	171.9	-171.8	0	0	0	0	0	110.6	K30 Q31 R32 D82 Y86 L103	K30-A84 HydrophobicContact CD-CB 4.17Å; K30-A84 HydrophobicContact CG-CB 3.53Å; Q31-A84 WeakPolarHBondContact O-CA 3.38Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.08Å; R32-A84 HydrophobicContact CG-CB 4.13Å; D82-A84 PolarHBondContact O-N 3.1Å; D82-A84 VanDerWaalsContact O-N 3.14Å; A84-Y86 HydrophobicContact CB-CD2 4.4Å; A84-Y86 HydrophobicContact CB-CE2 3.81Å; A84-L103 PolarHBondContact N-O 2.77Å; A84-L103 VanDerWaalsContact N-O 3.12Å; A84-L103 PolarHBondContact O-N 2.81Å
85	V	96.2	Very high	87.9	Confident	36 Å²	36	52.6 Å²	52.6	22%	0.218	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.4	163	-168.5	0	0	0	0	108.6	Q31 F87 T101 T102	Q31-V85 PolarHBondContact N-O 3.12Å; Q31-V85 PolarHBondContact O-N 2.77Å; V85-F87 HydrophobicContact CB-CE2 3.74Å; V85-F87 HydrophobicContact CB-CZ 3.91Å; V85-F87 HydrophobicContact CG1-CD2 4.25Å; V85-F87 HydrophobicContact CG1-CE1 3.86Å; V85-F87 HydrophobicContact CG1-CE2 3.53Å; V85-F87 HydrophobicContact CG1-CZ 3.31Å; V85-T101 WeakPolarHBondContact CA-O 3Å; V85-T102 HydrophobicContact CG2-CG2 4.49Å
86	Y	96.6	Very high	87.5	Confident	1 Å²	1	60.3 Å²	60.3	0%	0.004	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.1	179.6	-68.2	-92.2	0	0	0	109.8	I12 V29 K30 I40 M73 L75 D82 A84 G100 T101 L103	I12-Y86 HydrophobicContact CD1-CD1 4.35Å; I12-Y86 HydrophobicContact CD1-CD2 4.03Å; I12-Y86 HydrophobicContact CD1-CG 3.72Å; V29-Y86 CarbonylContact O-C 3.37Å; V29-Y86 WeakPolarHBondContact O-CA 3.21Å; K30-Y86 HydrophobicContact CB-CD1 4.16Å; K30-Y86 HydrophobicContact CB-CE1 3.92Å; K30-Y86 HydrophobicContact CD-CE1 3.89Å; K30-Y86 WeakPolarHBondContact CE-OH 3.41Å; K30-Y86 HydrophobicContact CG-CD1 4.31Å; K30-Y86 HydrophobicContact CG-CE1 3.75Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.86Å; 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 4.05Å; L75-Y86 HydrophobicContact CD1-CD1 4.15Å; L75-Y86 HydrophobicContact CD1-CE1 3.56Å; L75-Y86 HydrophobicContact CD1-CE2 4.17Å; D82-Y86 WeakPolarHBondContact O-CE2 3.03Å; D82-Y86 PolarHBondContact O-OH 3.11Å; A84-Y86 HydrophobicContact CB-CD2 4.4Å; A84-Y86 HydrophobicContact CB-CE2 3.81Å; Y86-G100 CarbonylContact O-C 3.5Å; Y86-G100 VanDerWaalsContact O-CA 3.22Å; Y86-G100 WeakPolarHBondContact O-CA 3.3Å; Y86-T101 PolarHBondContact N-O 2.62Å; Y86-T101 PolarHBondContact O-N 3.49Å; Y86-L103 HydrophobicContact CD2-CB 4.19Å; Y86-L103 HydrophobicContact CD2-CD1 3.71Å; Y86-L103 HydrophobicContact CD2-CG 3.87Å; Y86-L103 HydrophobicContact CE2-CB 3.99Å; Y86-L103 HydrophobicContact CE2-CD1 3.65Å; Y86-L103 HydrophobicContact CE2-CG 4.04Å
87	F	95.9	Very high	87.4	Confident	31 Å²	31	63.1 Å²	63.1	14%	0.136	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	148.1	-178.4	-58.7	-88.2	0	0	0	110.5	W28 V29 Q31 V85 W97	W28-F87 WeakPolarHBondContact CA-O 2.95Å; V29-F87 PolarHBondContact N-O 2.94Å; V29-F87 PolarHBondContact O-N 2.86Å; Q31-F87 HydrophobicContact CB-CD2 4.35Å; Q31-F87 HydrophobicContact CB-CE2 3.76Å; V85-F87 HydrophobicContact CB-CE2 3.74Å; V85-F87 HydrophobicContact CB-CZ 3.91Å; V85-F87 HydrophobicContact CG1-CD2 4.25Å; V85-F87 HydrophobicContact CG1-CE1 3.86Å; V85-F87 HydrophobicContact CG1-CE2 3.53Å; V85-F87 HydrophobicContact CG1-CZ 3.31Å; F87-W97 HydrophobicContact CB-CE3 3.76Å; F87-W97 HydrophobicContact CB-CZ3 3.92Å; F87-W97 HydrophobicContact CG-CE3 4.27Å; F87-W97 HydrophobicContact CG-CZ3 4.46Å
88	C	95.4	Very high	87.4	Confident	14 Å²	14	61 Å²	61	10%	0.095	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	148.8	160.9	60.8	0	0	0	0	110	C14 M26 N27 W28 G98	C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.38Å; C14-C88 WeakPolarHBondContact SG-CB 3.47Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.06Å; M26-C88 HydrophobicContact CG-CB 4.4Å; M26-C88 HydrophobicContact SD-CB 3.75Å; N27-C88 CarbonylContact O-C 3.48Å; N27-C88 WeakPolarHBondContact O-CA 3.04Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.22Å; W28-C88 HydrophobicContact CH2-CB 4.34Å; W28-C88 HydrophobicContact CZ3-CB 4.17Å; C88-G98 PolarHBondContact O-N 3.1Å
89	A	94.2	Very high	87.5	Confident	1 Å²	1	69.9 Å²	69.9	1%	0.008	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	138.6	177.9	0	0	0	0	0	112.5	N27 L92 Y96 W97	N27-A89 WeakPolarHBondContact CA-O 3.29Å; N27-A89 HydrophobicContact CB-CB 4.47Å; N27-A89 VanDerWaalsContact CB-O 3.28Å; N27-A89 WeakPolarHBondContact CB-O 3.47Å; N27-A89 PolarHBondContact N-O 3.33Å; N27-A89 PolarHBondContact ND2-O 3.45Å; N27-A89 VanDerWaalsContact ND2-O 3.08Å; N27-A89 PolarHBondContact O-N 3.5Å; A89-L92 HydrophobicContact CB-CD2 3.74Å; A89-L92 HydrophobicContact CB-CG 4.42Å; A89-Y96 CarbonylContact C-O 3.56Å; A89-Y96 WeakPolarHBondContact CA-O 3.26Å; A89-W97 HydrophobicContact CB-CD2 3.79Å; A89-W97 HydrophobicContact CB-CE3 3.8Å; A89-W97 HydrophobicContact CB-CG 4.27Å; A89-W97 HydrophobicContact CB-CH2 4.47Å; A89-W97 HydrophobicContact CB-CZ2 4.49Å; A89-W97 HydrophobicContact CB-CZ3 4.14Å
90	R	88.7	Confident	87.6	Confident	62 Å²	62	68.4 Å²	68.4	23%	0.234	34%	0.344	C	S	.	.	S	Bend	trans	-73.3	-48.4	177.1	-168.1	-177.4	102.7	-178.8	9	111.8	Y19 W25 N27 Y96	Y19-R90 HydrophobicContact CE2-CG 4.14Å; W25-R90 VanDerWaalsContact O-O 3.08Å; N27-R90 PolarHBondContact ND2-O 2.91Å; N27-R90 VanDerWaalsContact ND2-O 3.17Å; R90-Y96 PolarHBondContact N-O 3.31Å
91	E	80.1	Confident	87.9	Confident	94 Å²	94	67.7 Å²	67.7	44%	0.439	34%	0.337	S	S	.	.	S	Bend	trans	-131.1	135.6	-176	-73.5	164.3	-151.7	0	0	109.1	G95	E91-G95 WeakPolarHBondContact O-CA 3.1Å; E91-G95 PolarHBondContact O-N 3.1Å
92	L	75.3	Confident	88.2	Confident	70 Å²	70	64 Å²	64	37%	0.366	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	145.4	176.7	-67.2	178.2	0	0	0	109.6	N27 V29 W39 A89 W97	N27-L92 HydrophobicContact CB-CD1 3.78Å; N27-L92 HydrophobicContact CB-CG 4.18Å; V29-L92 HydrophobicContact CG2-CD1 4.13Å; V29-L92 HydrophobicContact CG2-CD2 4.37Å; W39-L92 VanDerWaalsContact CD1-CD1 3.49Å; A89-L92 HydrophobicContact CB-CD2 3.74Å; A89-L92 HydrophobicContact CB-CG 4.42Å; L92-W97 HydrophobicContact CD2-CH2 3.28Å; L92-W97 HydrophobicContact CD2-CZ2 3.12Å; L92-W97 HydrophobicContact CD2-CZ3 4.16Å
93	P	60.4	Low	88.2	Confident	110 Å²	110	63.5 Å²	63.5	71%	0.714	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	cis	-93.8	-16.1	2.1	33.7	-32.4	0	0	0	115.1	W97	P93-W97 PolarHBondContact O-NE1 2.99Å
94	R	67.6	Low	88	Confident	245 Å²	245	64.3 Å²	64.3	93%	0.925	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	15.3	-173.7	-69.6	-174.1	176.8	152.5	-0.9	114.7
95	G	77.8	Confident	87.5	Confident	17 Å²	17	64.4 Å²	64.4	18%	0.175	33%	0.325	C	S	.	.	S	Bend	trans	-82.7	-162.1	-177.3	0	0	0	0	0	114.2	E91	E91-G95 WeakPolarHBondContact O-CA 3.1Å; E91-G95 PolarHBondContact O-N 3.1Å
96	Y	87.5	Confident	86.4	Confident	162 Å²	162	65.9 Å²	65.9	64%	0.635	34%	0.337	S	S	*	.			trans	-80.1	124.7	-179.5	-59.4	-84	0	0	0	111.3	A89 R90	A89-Y96 CarbonylContact C-O 3.56Å; A89-Y96 WeakPolarHBondContact CA-O 3.26Å; R90-Y96 PolarHBondContact N-O 3.31Å
97	W	91.9	Very high	84.7	Confident	93 Å²	93	73.3 Å²	73.3	35%	0.352	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-110	144.8	179.2	-66.5	82.2	0	0	0	111.2	V29 L37 F87 A89 L92 P93	V29-W97 HydrophobicContact CB-CH2 4.32Å; V29-W97 HydrophobicContact CB-CZ3 3.91Å; V29-W97 HydrophobicContact CG1-CH2 4.25Å; V29-W97 HydrophobicContact CG1-CZ3 4.15Å; V29-W97 HydrophobicContact CG2-CH2 3.93Å; V29-W97 HydrophobicContact CG2-CZ3 3.82Å; L37-W97 HydrophobicContact CD1-CH2 3.81Å; L37-W97 HydrophobicContact CD1-CZ2 4.27Å; F87-W97 HydrophobicContact CB-CE3 3.76Å; F87-W97 HydrophobicContact CB-CZ3 3.92Å; F87-W97 HydrophobicContact CG-CE3 4.27Å; F87-W97 HydrophobicContact CG-CZ3 4.46Å; A89-W97 HydrophobicContact CB-CD2 3.79Å; A89-W97 HydrophobicContact CB-CE3 3.8Å; A89-W97 HydrophobicContact CB-CG 4.27Å; A89-W97 HydrophobicContact CB-CH2 4.47Å; A89-W97 HydrophobicContact CB-CZ2 4.49Å; A89-W97 HydrophobicContact CB-CZ3 4.14Å; L92-W97 HydrophobicContact CD2-CH2 3.28Å; L92-W97 HydrophobicContact CD2-CZ2 3.12Å; L92-W97 HydrophobicContact CD2-CZ3 4.16Å; P93-W97 PolarHBondContact O-NE1 2.99Å
98	G	91.7	Very high	84.1	Confident	28 Å²	28	75.5 Å²	75.5	29%	0.289	40%	0.402	S	S	.	.			trans	-73.2	165.4	165.1	0	0	0	0	0	111.9	C88 G100	C88-G98 PolarHBondContact O-N 3.1Å; G98-G100 PolarHBondContact O-N 3.21Å; G98-G100 VanDerWaalsContact O-N 3.17Å
99	Q	91.8	Very high	83.5	Confident	189 Å²	189	78.7 Å²	78.7	88%	0.883	42%	0.418	S	S	*	.			trans	-62.7	-21.5	179.1	-64.5	-63.6	-24.8	0	0	113.6
100	G	92.9	Very high	82.9	Confident	29 Å²	29	83 Å²	83	30%	0.299	44%	0.441	S	S	.	.			trans	86.5	150.5	-178.4	0	0	0	0	0	113.3	Y86 G98	Y86-G100 CarbonylContact O-C 3.5Å; Y86-G100 VanDerWaalsContact O-CA 3.22Å; Y86-G100 WeakPolarHBondContact O-CA 3.3Å; G98-G100 PolarHBondContact O-N 3.21Å; G98-G100 VanDerWaalsContact O-N 3.17Å
101	T	94.5	Very high	82.6	Confident	51 Å²	51	84.2 Å²	84.2	31%	0.313	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	118.8	178.4	-59.6	0	0	0	0	108.9	I12 V85 Y86 L103	I12-T101 HydrophobicContact CG2-CG2 4.35Å; V85-T101 WeakPolarHBondContact CA-O 3Å; Y86-T101 PolarHBondContact N-O 2.62Å; Y86-T101 PolarHBondContact O-N 3.49Å; T101-L103 HydrophobicContact CG2-CD2 4.16Å
102	T	94.5	Very high	82.7	Confident	58 Å²	58	83.6 Å²	83.6	36%	0.356	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	120.2	174.7	-52.4	0	0	0	0	110.2	P1 E2 V85	P1-T102 CarbonylContact C-O 3.59Å; P1-T102 VanDerWaalsContact CA-O 3.3Å; P1-T102 WeakPolarHBondContact CA-O 3.49Å; P1-T102 HydrophobicContact CB-CG2 4.13Å; E2-T102 PolarHBondContact N-O 3.23Å; V85-T102 HydrophobicContact CG2-CG2 4.49Å
103	L	90.9	Very high	83.2	Confident	3 Å²	3	84.5 Å²	84.5	2%	0.016	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.1	171.3	-62.6	-175.8	0	0	0	110.1	E2 V10 I12 L75 S83 A84 Y86 T101	E2-L103 HydrophobicContact CB-CD2 3.7Å; E2-L103 HydrophobicContact CG-CD2 4.47Å; V10-L103 HydrophobicContact CG1-CD1 3.56Å; V10-L103 HydrophobicContact CG2-CD2 4.17Å; I12-L103 HydrophobicContact CD1-CD1 3.64Å; I12-L103 HydrophobicContact CD1-CG 4.25Å; I12-L103 HydrophobicContact CG1-CD1 4.26Å; L75-L103 HydrophobicContact CD1-CD1 4.04Å; S83-L103 VanDerWaalsContact CA-O 3.32Å; S83-L103 WeakPolarHBondContact CA-O 3.47Å; A84-L103 PolarHBondContact N-O 2.77Å; A84-L103 VanDerWaalsContact N-O 3.12Å; A84-L103 PolarHBondContact O-N 2.81Å; Y86-L103 HydrophobicContact CD2-CB 4.19Å; Y86-L103 HydrophobicContact CD2-CD1 3.71Å; Y86-L103 HydrophobicContact CD2-CG 3.87Å; Y86-L103 HydrophobicContact CE2-CB 3.99Å; Y86-L103 HydrophobicContact CE2-CD1 3.65Å; Y86-L103 HydrophobicContact CE2-CG 4.04Å; T101-L103 HydrophobicContact CG2-CD2 4.16Å
104	T	88.9	Confident	84.9	Confident	52 Å²	52	82.7 Å²	82.7	32%	0.319	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	113.5	175	-55.4	0	0	0	0	109.2	E2 L3 V4	E2-T104 PolarHBondContact O-N 2.65Å; L3-T104 HydrophobicContact CD2-CG2 4.31Å; V4-T104 WeakPolarHBondContact CG2-O 3.41Å; V4-T104 PolarHBondContact N-O 2.92Å
105	A	83.9	Confident	86.2	Confident	7 Å²	7	70.2 Å²	70.2	6%	0.058	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	110	172.8	0	0	0	0	0	109	V4 T79 S80 S83	V4-A105 HydrophobicContact CG2-CB 3.82Å; V4-A105 WeakPolarHBondContact O-CA 3.46Å; T79-A105 VanDerWaalsContact O-CB 3.29Å; T79-A105 WeakPolarHBondContact O-CB 3.5Å; S80-A105 WeakPolarHBondContact CA-O 3.41Å; S83-A105 PolarHBondContact OG-N 2.79Å; S83-A105 PolarHBondContact OG-O 3.24Å
106	S	74	Confident	86.9	Confident	66 Å²	66	74.7 Å²	74.7	46%	0.462	42%	0.424	S	S	.	.			trans	-97	136.5	177.6	55.6	0	0	0	0	110.4	P6	P6-S106 WeakPolarHBondContact CD-O 3.41Å; P6-S106 WeakPolarHBondContact CG-O 3.3Å
107	S	60.6	Low	86.9	Confident	158 Å²	158	66.7 Å²	66.7	100%	1.105	41%	0.405	S	S	*	.			trans	-58.8	0	172.4	-64.1	0	0	0	0	113.5

Retrieved 107 of 107 residues in 22 ms (Link to these results)

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