X5J5C0_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5C0, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 98 aa.

						>X5J5C0_MOUSE|X5J5C0
AELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGRGLEWIGRIDPNSGGTKYNEKFKSKATLTVDKPSSTAYMQLSSLTSGLLGPRHHSHSLLRESVL
					

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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	A	37.5	Very low	57.2	Low	140 Å²	140	102.9 Å²	102.9	100%	1.157	61%	0.606	S	S	*	*				0	108.3	0	0	0	0	0	0	107.1	L3	A1-L3 PolarHBondContact O-N 3.17Å
2	E	35.7	Very low	59.7	Low	191 Å²	191	98 Å²	98	89%	0.893	57%	0.574	S	S	*	*			trans	-86.6	98.1	179.6	-161.9	163.9	127.5	0	0	108.7	V4	E2-V4 PolarHBondContact O-N 3.48Å; E2-V4 VanDerWaalsContact O-N 3.13Å
3	L	43.7	Very low	61.8	Low	142 Å²	142	95.9 Å²	95.9	74%	0.743	57%	0.568	S	S	*	*			trans	-68.8	101.7	172.4	-153.9	82.5	0	0	0	106.1	A1 K5	A1-L3 PolarHBondContact O-N 3.17Å; L3-K5 PolarHBondContact O-N 3.2Å
4	V	46.3	Very low	63.5	Low	66 Å²	66	90.1 Å²	90.1	40%	0.4	54%	0.535	S	S	.	.			trans	-56.5	108	172.1	-179.2	0	0	0	0	106.4	E2 A8 L83	E2-V4 PolarHBondContact O-N 3.48Å; E2-V4 VanDerWaalsContact O-N 3.13Å; V4-A8 HydrophobicContact CG1-CB 3.38Å; V4-L83 HydrophobicContact CB-CD1 4.48Å; V4-L83 HydrophobicContact CG2-CD1 4.18Å
5	K	48.8	Very low	65.1	Low	167 Å²	167	94.3 Å²	94.3	73%	0.726	54%	0.544	S	S	*	.			trans	-57.1	138.1	-173.8	-67.3	178.7	-178.9	178.4	0	108.8	L3 G7 A8	L3-K5 PolarHBondContact O-N 3.2Å; K5-G7 PolarHBondContact O-N 2.94Å; K5-G7 VanDerWaalsContact O-N 3.17Å; K5-A8 VanDerWaalsContact O-CB 3.3Å; K5-A8 WeakPolarHBondContact O-CB 3.14Å; K5-A8 PolarHBondContact O-N 2.8Å
6	P	49.8	Very low	66.3	Low	96 Å²	96	88.9 Å²	88.9	62%	0.623	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	126	170.6	-16.9	25.6	0	0	0	108.9
7	G	57.8	Low	67.4	Low	52 Å²	52	89.4 Å²	89.4	54%	0.536	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.5	-2.7	-173.7	0	0	0	0	0	115.3	K5 S9	K5-G7 PolarHBondContact O-N 2.94Å; K5-G7 VanDerWaalsContact O-N 3.17Å; G7-S9 PolarHBondContact O-N 3.11Å
8	A	65.1	Low	68.3	Low	31 Å²	31	89.6 Å²	89.6	26%	0.256	55%	0.548	S	S	.	.			trans	-63.9	135.3	170.3	0	0	0	0	0	110.7	V4 K5	V4-A8 HydrophobicContact CG1-CB 3.38Å; K5-A8 VanDerWaalsContact O-CB 3.3Å; K5-A8 WeakPolarHBondContact O-CB 3.14Å; K5-A8 PolarHBondContact O-N 2.8Å
9	S	74.8	Confident	68.9	Low	62 Å²	62	88.7 Å²	88.7	43%	0.434	53%	0.534	S	S	.	.			trans	-92.5	140.2	171.7	-62.2	0	0	0	0	109.7	G7 L75	G7-S9 PolarHBondContact O-N 3.11Å; S9-L75 CarbonylContact C-O 3.42Å; S9-L75 WeakPolarHBondContact CA-O 3.31Å
10	V	83.2	Confident	69.7	Low	53 Å²	53	88.6 Å²	88.6	32%	0.321	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.4	174.4	173	0	0	0	0	109	L12 Q74 L75 L78	V10-L12 HydrophobicContact CG1-CD2 4.11Å; V10-L12 HydrophobicContact CG1-CG 4.29Å; V10-Q74 CarbonylContact O-C 3.6Å; V10-Q74 WeakPolarHBondContact O-CA 3.48Å; V10-L75 PolarHBondContact N-O 3.1Å; V10-L75 PolarHBondContact O-N 2.81Å; V10-L78 HydrophobicContact CB-CD1 4.15Å; V10-L78 HydrophobicContact CG2-CD1 3.4Å; V10-L78 VanDerWaalsContact CG2-CD1 3.4Å
11	K	86.4	Confident	70.5	Confident	132 Å²	132	84.8 Å²	84.8	57%	0.574	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.2	174.2	-172.8	176.9	178.9	-179.7	0	109.8	Y72 M73	K11-Y72 HydrophobicContact CD-CD1 4.5Å; K11-Y72 VanDerWaalsContact CE-CD1 3.42Å; K11-M73 CarbonylContact C-O 3.56Å; K11-M73 WeakPolarHBondContact CA-O 3.25Å
12	L	86.9	Confident	72.9	Confident	44 Å²	44	80.4 Å²	80.4	23%	0.23	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	140.5	177.5	-59.9	172.5	0	0	0	109.1	V10 W28 Y72 M73 L92 R94	V10-L12 HydrophobicContact CG1-CD2 4.11Å; V10-L12 HydrophobicContact CG1-CG 4.29Å; L12-W28 HydrophobicContact CB-CH2 4.01Å; L12-W28 HydrophobicContact CB-CZ3 3.71Å; L12-W28 HydrophobicContact CD1-CZ3 4.22Å; L12-Y72 CarbonylContact O-C 3.54Å; L12-Y72 WeakPolarHBondContact O-CA 3.44Å; L12-M73 HydrophobicContact CD1-CE 3.64Å; L12-M73 PolarHBondContact N-O 2.67Å; L12-M73 PolarHBondContact O-N 3.42Å; L12-L92 HydrophobicContact CD1-CB 4.5Å; L12-L92 HydrophobicContact CD1-CD1 4.4Å; L12-L92 HydrophobicContact CD1-CD2 4.08Å; L12-R94 VanDerWaalsContact C-NH2 3.28Å
13	S	87.5	Confident	75.3	Confident	71 Å²	71	75.1 Å²	75.1	50%	0.497	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.1	-177.2	56.7	0	0	0	0	113.4	A71 Y72 R94	S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.42Å; S13-Y72 VanDerWaalsContact CB-CD1 3.44Å; S13-R94 VanDerWaalsContact C-CZ 3.47Å; S13-R94 VanDerWaalsContact C-NH1 3.26Å; S13-R94 VanDerWaalsContact CA-NH2 3.28Å; S13-R94 PolarHBondContact O-NH1 2.55Å; S13-R94 PolarHBondContact O-NH2 3.18Å
14	C	84.9	Confident	77.1	Confident	15 Å²	15	72.4 Å²	72.4	10%	0.101	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	106.4	-173.6	-167.3	0	0	0	0	109.6	W28 T70 A71 R94	C14-W28 HydrophobicContact CB-CH2 4.49Å; C14-T70 CarbonylContact O-C 3.54Å; C14-T70 VanDerWaalsContact O-CA 3.25Å; C14-T70 WeakPolarHBondContact O-CA 3.49Å; C14-A71 HydrophobicContact CB-CB 4.5Å; C14-A71 PolarHBondContact N-O 3.11Å; C14-A71 PolarHBondContact O-N 3.11Å; C14-R94 HydrophobicContact CB-CG 4.32Å; C14-R94 VanDerWaalsContact CB-CZ 3.48Å; C14-R94 VanDerWaalsContact CB-NH1 3.26Å
15	K	88.1	Confident	79	Confident	153 Å²	153	75 Å²	75	67%	0.665	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	124.1	178.1	-173.2	173.2	-177.1	179.6	0	109.6	S69	K15-S69 WeakPolarHBondContact CA-O 3.2Å
16	A	84.1	Confident	80.8	Confident	8 Å²	8	67.6 Å²	67.6	7%	0.066	40%	0.404	C	S	.	.			trans	-79.2	145	173	0	0	0	0	0	110.8	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 4.2Å; A16-Y19 HydrophobicContact CB-CE2 3.72Å; A16-Y19 VanDerWaalsContact CB-CZ 3.48Å; A16-Y19 VanDerWaalsContact CB-OH 3.28Å; A16-Y19 WeakPolarHBondContact CB-OH 3.37Å; A16-F21 HydrophobicContact CB-CB 4.04Å; A16-F21 HydrophobicContact CB-CD2 3.43Å; A16-F21 VanDerWaalsContact CB-CD2 3.43Å; A16-F21 HydrophobicContact CB-CE2 4.23Å; A16-F21 HydrophobicContact CB-CG 4.08Å; A16-S69 PolarHBondContact N-O 2.78Å
17	S	85.1	Confident	82.7	Confident	97 Å²	97	65.3 Å²	65.3	68%	0.678	39%	0.385	S	S	*	.			trans	-147.3	149.7	174.6	56.3	0	0	0	0	110.1	Y19	S17-Y19 VanDerWaalsContact C-N 3.31Å; S17-Y19 WeakPolarHBondContact O-CD1 3.05Å; S17-Y19 VanDerWaalsContact O-CE1 3.3Å; S17-Y19 WeakPolarHBondContact O-CE1 3.31Å; S17-Y19 PolarHBondContact O-N 2.84Å
18	G	83.7	Confident	84.1	Confident	93 Å²	93	63 Å²	63	96%	0.959	36%	0.36	S	S	*	.	S	Bend	trans	80.4	4.5	176.9	0	0	0	0	0	115.6
19	Y	80	Confident	85.2	Confident	73 Å²	73	62.6 Å²	62.6	29%	0.286	36%	0.355	S	S	.	.	S	Bend	trans	-155.6	166.3	175.8	58.3	-89.9	0	0	0	111.7	A16 S17 F21 Y24 V97	A16-Y19 HydrophobicContact CB-CE1 4.2Å; A16-Y19 HydrophobicContact CB-CE2 3.72Å; A16-Y19 VanDerWaalsContact CB-CZ 3.48Å; A16-Y19 VanDerWaalsContact CB-OH 3.28Å; A16-Y19 WeakPolarHBondContact CB-OH 3.37Å; S17-Y19 VanDerWaalsContact C-N 3.31Å; S17-Y19 WeakPolarHBondContact O-CD1 3.05Å; S17-Y19 VanDerWaalsContact O-CE1 3.3Å; S17-Y19 WeakPolarHBondContact O-CE1 3.31Å; S17-Y19 PolarHBondContact O-N 2.84Å; Y19-F21 PolarHBondContact O-N 3.42Å; Y19-F21 VanDerWaalsContact O-N 3.12Å; Y19-Y24 AromaticContact CD2-CD2 3.56Å; Y19-Y24 HydrophobicContact CD2-CD2 3.56Å; Y19-Y24 AromaticContact CD2-CE2 3.98Å; Y19-Y24 HydrophobicContact CD2-CE2 3.98Å; Y19-Y24 HydrophobicContact CE2-CD2 4.03Å; Y19-Y24 HydrophobicContact CG-CD2 4.35Å; Y19-Y24 HydrophobicContact CG-CE2 4.35Å; Y19-V97 HydrophobicContact CE1-CG2 4.07Å
20	T	85.5	Confident	85.6	Confident	86 Å²	86	61.3 Å²	61.3	53%	0.528	34%	0.341	S	S	.	.			trans	-69.9	104.8	173.6	-57.4	0	0	0	0	109.7	T22 S23	T20-T22 WeakPolarHBondContact CG2-OG1 3.25Å; T20-T22 PolarHBondContact O-N 3Å; T20-T22 VanDerWaalsContact O-N 3.08Å; T20-S23 WeakPolarHBondContact CB-OG 3.16Å; T20-S23 WeakPolarHBondContact CG2-OG 3.35Å; T20-S23 WeakPolarHBondContact O-CB 3.04Å; T20-S23 PolarHBondContact O-N 2.86Å
21	F	85.6	Confident	85.3	Confident	9 Å²	9	62.3 Å²	62.3	4%	0.039	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-52.4	-34.6	-176	174.3	-124.3	0	0	0	113.9	A16 Y19 S23 M26 P45 V64 A71	A16-F21 HydrophobicContact CB-CB 4.04Å; A16-F21 HydrophobicContact CB-CD2 3.43Å; A16-F21 VanDerWaalsContact CB-CD2 3.43Å; A16-F21 HydrophobicContact CB-CE2 4.23Å; A16-F21 HydrophobicContact CB-CG 4.08Å; Y19-F21 PolarHBondContact O-N 3.42Å; Y19-F21 VanDerWaalsContact O-N 3.12Å; F21-S23 VanDerWaalsContact C-N 3.3Å; F21-S23 PolarHBondContact O-N 3.03Å; F21-M26 HydrophobicContact CE2-CE 4.35Å; F21-P45 HydrophobicContact CD1-CB 3.87Å; F21-P45 HydrophobicContact CD2-CB 4.31Å; F21-P45 HydrophobicContact CD2-CG 4.24Å; F21-P45 HydrophobicContact CE1-CB 3.56Å; F21-P45 HydrophobicContact CE1-CG 4.3Å; F21-P45 HydrophobicContact CE2-CB 4.03Å; F21-P45 HydrophobicContact CE2-CG 3.86Å; F21-P45 HydrophobicContact CG-CB 4.26Å; F21-P45 HydrophobicContact CZ-CB 3.65Å; F21-P45 HydrophobicContact CZ-CG 3.9Å; F21-P45 WeakPolarHBondContact O-CG 3.21Å; F21-V64 HydrophobicContact CE1-CB 4.31Å; F21-V64 HydrophobicContact CE1-CG1 4.47Å; F21-V64 HydrophobicContact CZ-CB 4.32Å; F21-V64 HydrophobicContact CZ-CG1 4.05Å; F21-A71 HydrophobicContact CE2-CB 4.29Å; F21-A71 HydrophobicContact CZ-CB 4.07Å
22	T	88.1	Confident	84.8	Confident	48 Å²	48	60 Å²	60	29%	0.294	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-78.4	-9.3	-179.8	52.7	0	0	0	0	114.1	T20 Y24 N46 K66	T20-T22 WeakPolarHBondContact CG2-OG1 3.25Å; T20-T22 PolarHBondContact O-N 3Å; T20-T22 VanDerWaalsContact O-N 3.08Å; T22-Y24 VanDerWaalsContact C-N 3.35Å; T22-N46 WeakPolarHBondContact O-CB 3.04Å; T22-K66 HydrophobicContact CG2-CG 4.49Å
23	S	86.3	Confident	84.3	Confident	79 Å²	79	62.7 Å²	62.7	55%	0.552	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-82.1	-12.8	-179.2	-62.5	0	0	0	0	113.7	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.16Å; T20-S23 WeakPolarHBondContact CG2-OG 3.35Å; T20-S23 WeakPolarHBondContact O-CB 3.04Å; T20-S23 PolarHBondContact O-N 2.86Å; F21-S23 VanDerWaalsContact C-N 3.3Å; F21-S23 PolarHBondContact O-N 3.03Å
24	Y	81.9	Confident	83.9	Confident	86 Å²	86	63.6 Å²	63.6	34%	0.337	37%	0.371	S	S	.	.	S	Bend	trans	-130.8	141.8	-169.5	-64.1	-79.4	0	0	0	112.5	Y19 T22 P45 V97 L98	Y19-Y24 AromaticContact CD2-CD2 3.56Å; Y19-Y24 HydrophobicContact CD2-CD2 3.56Å; Y19-Y24 AromaticContact CD2-CE2 3.98Å; Y19-Y24 HydrophobicContact CD2-CE2 3.98Å; Y19-Y24 HydrophobicContact CE2-CD2 4.03Å; Y19-Y24 HydrophobicContact CG-CD2 4.35Å; Y19-Y24 HydrophobicContact CG-CE2 4.35Å; T22-Y24 VanDerWaalsContact C-N 3.35Å; Y24-P45 WeakPolarHBondContact O-CD 3.42Å; Y24-P45 VanDerWaalsContact O-CG 3.28Å; Y24-P45 WeakPolarHBondContact O-CG 3.2Å; Y24-V97 HydrophobicContact CD1-CG1 4.37Å; Y24-V97 HydrophobicContact CG-CG1 4.43Å; Y24-L98 WeakPolarHBondContact CD1-O 3.26Å; Y24-L98 VanDerWaalsContact CE1-O 3.25Å; Y24-L98 WeakPolarHBondContact CE1-O 3.22Å
25	W	85.1	Confident	83.5	Confident	119 Å²	119	72.4 Å²	72.4	45%	0.451	40%	0.402	S	S	.	.			trans	-73.3	136.4	171.6	-67.5	-5.5	0	0	0	110.9	R42	W25-R42 VanDerWaalsContact CE3-NH1 3.35Å; W25-R42 VanDerWaalsContact CH2-CZ 3.46Å
26	M	87.6	Confident	83.2	Confident	13 Å²	13	67.2 Å²	67.2	6%	0.064	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	113.8	175.8	-175.7	59.3	61	0	0	109.9	F21 R42 I43 A71	F21-M26 HydrophobicContact CE2-CE 4.35Å; M26-R42 CarbonylContact O-C 3.59Å; M26-R42 WeakPolarHBondContact O-CA 3.34Å; M26-I43 HydrophobicContact CB-CG2 3.89Å; M26-I43 PolarHBondContact N-O 3.34Å; M26-I43 PolarHBondContact O-N 2.88Å; M26-A71 HydrophobicContact CB-CB 4.28Å; M26-A71 HydrophobicContact CG-CB 3.77Å
27	H	88.6	Confident	83.2	Confident	48 Å²	48	72.1 Å²	72.1	22%	0.222	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	141.1	177.9	-73.4	-110.4	0	0	0	111.7	W39	H27-W39 AromaticContact ND1-CD1 3.91Å; H27-W39 AromaticContact ND1-NE1 3.21Å; H27-W39 PolarHBondContact ND1-NE1 2.87Å
28	W	88.7	Confident	83.2	Confident	3 Å²	3	69 Å²	69	1%	0.011	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127	175.3	-65.4	86.7	0	0	0	109.8	L12 C14 I40 G41 L62 A71 Y72 M73 R94	L12-W28 HydrophobicContact CB-CH2 4.01Å; L12-W28 HydrophobicContact CB-CZ3 3.71Å; L12-W28 HydrophobicContact CD1-CZ3 4.22Å; C14-W28 HydrophobicContact CB-CH2 4.49Å; W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.45Å; W28-I40 WeakPolarHBondContact O-CB 3.28Å; W28-I40 PolarHBondContact O-N 3.07Å; W28-G41 PolarHBondContact N-O 2.95Å; W28-G41 PolarHBondContact O-N 2.86Å; W28-L62 HydrophobicContact CD2-CD2 4.43Å; W28-L62 HydrophobicContact CG-CD2 4Å; W28-A71 HydrophobicContact CZ2-CB 4.27Å; W28-Y72 VanDerWaalsContact CZ2-C 3.42Å; W28-M73 HydrophobicContact CB-SD 3.88Å; W28-M73 HydrophobicContact CD2-CB 3.68Å; W28-M73 HydrophobicContact CD2-CE 4.28Å; W28-M73 HydrophobicContact CD2-CG 4.4Å; W28-M73 HydrophobicContact CD2-SD 3.97Å; W28-M73 HydrophobicContact CE3-CB 3.63Å; W28-M73 HydrophobicContact CE3-CE 3.58Å; W28-M73 HydrophobicContact CE3-CG 4.36Å; W28-M73 HydrophobicContact CE3-SD 3.88Å; W28-M73 HydrophobicContact CG-CB 4.4Å; W28-M73 HydrophobicContact CG-SD 3.99Å; W28-M73 HydrophobicContact CH2-CB 3.44Å; W28-M73 VanDerWaalsContact CH2-CB 3.44Å; W28-M73 VanDerWaalsContact CH2-N 3.34Å; W28-M73 HydrophobicContact CZ2-CB 3.65Å; W28-M73 HydrophobicContact CZ3-CB 3.49Å; W28-M73 VanDerWaalsContact CZ3-CB 3.49Å; W28-M73 HydrophobicContact CZ3-CE 3.99Å; W28-R94 HydrophobicContact CZ3-CG 4.38Å; W28-R94 VanDerWaalsContact CZ3-NE 3.3Å
29	V	86.9	Confident	83.5	Confident	22 Å²	22	68.7 Å²	68.7	13%	0.133	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	147.6	177.9	-56.6	0	0	0	0	110.5	L37 E38 W39 L93	V29-L37 HydrophobicContact CG2-CD2 4.39Å; V29-E38 CarbonylContact C-O 3.58Å; V29-E38 VanDerWaalsContact CA-O 3.31Å; V29-E38 WeakPolarHBondContact CA-O 3.33Å; V29-W39 HydrophobicContact CG1-CB 4.49Å; V29-L93 HydrophobicContact CG2-CB 4.13Å; V29-L93 WeakPolarHBondContact CG2-O 3.45Å; V29-L93 VanDerWaalsContact O-O 3.13Å
30	K	82.6	Confident	84	Confident	36 Å²	36	65.2 Å²	65.2	16%	0.157	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.4	169.7	-179.7	178.7	-178.9	175.9	0	107.8	R32 E38 I40 L92	K30-R32 HydrophobicContact CG-CG 4.42Å; K30-E38 HydrophobicContact CB-CB 4.41Å; K30-E38 PolarHBondContact N-O 2.78Å; K30-E38 PolarHBondContact O-N 2.87Å; K30-I40 HydrophobicContact CB-CD1 4.1Å; K30-I40 HydrophobicContact CB-CG1 4.32Å; K30-L92 HydrophobicContact CB-CD2 4.45Å
31	Q	78.8	Confident	84.4	Confident	73 Å²	73	61.1 Å²	61.1	34%	0.341	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	140.4	169.9	-177.4	-178.4	44.4	0	0	109.1	L37 S91 L93	Q31-L37 HydrophobicContact CB-CD2 3.58Å; Q31-L37 HydrophobicContact CG-CD2 3.74Å; Q31-S91 CarbonylContact C-O 3.34Å; Q31-S91 WeakPolarHBondContact CA-O 3.48Å; Q31-S91 WeakPolarHBondContact CB-O 3.41Å; Q31-S91 PolarHBondContact N-O 2.96Å; Q31-L93 HydrophobicContact CB-CD1 4.05Å; Q31-L93 HydrophobicContact CB-CG 4.27Å; Q31-L93 HydrophobicContact CG-CD1 4.16Å
32	R	74.3	Confident	84.7	Confident	84 Å²	84	63.2 Å²	63.2	32%	0.317	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127	173	-67.9	-177	-162.9	-169.4	2.2	107.9	K30 G34 R35 G36 E38	K30-R32 HydrophobicContact CG-CG 4.42Å; R32-G34 PolarHBondContact O-N 3.49Å; R32-R35 HydrophobicContact CB-CB 3.73Å; R32-R35 PolarHBondContact O-N 3.21Å; R32-G36 PolarHBondContact N-O 2.86Å; R32-G36 VanDerWaalsContact N-O 3.11Å; R32-G36 PolarHBondContact O-N 3.1Å; R32-E38 IonicContact CZ-OE2 2.67Å; R32-E38 VanDerWaalsContact CZ-OE2 3.27Å; R32-E38 IonicContact NE-OE2 3.18Å; R32-E38 PolarHBondContact NE-OE2 3.02Å; R32-E38 IonicContact NH2-OE1 3.07Å; R32-E38 IonicContact NH2-OE2 3.42Å; R32-E38 PolarHBondContact NH2-OE2 3.07Å
33	P	76.3	Confident	84.9	Confident	100 Å²	100	61.1 Å²	61.1	65%	0.649	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	124.8	175.6	-27.2	34.7	0	0	0	110.7	R35	P33-R35 PolarHBondContact O-N 3.46Å
34	G	80.1	Confident	85.2	Confident	91 Å²	91	58.8 Å²	58.8	94%	0.938	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	5.7	-179.1	0	0	0	0	0	116.6	R32	R32-G34 PolarHBondContact O-N 3.49Å
35	R	75.4	Confident	85.5	Confident	199 Å²	199	54.7 Å²	54.7	75%	0.751	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.4	11.2	-177	-67	-176.6	-177.4	-161.4	4.3	114.5	R32 P33	R32-R35 HydrophobicContact CB-CB 3.73Å; R32-R35 PolarHBondContact O-N 3.21Å; P33-R35 PolarHBondContact O-N 3.46Å
36	G	82.1	Confident	85.8	Confident	45 Å²	45	53.6 Å²	53.6	46%	0.464	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	75.6	-166.2	175.3	0	0	0	0	0	114.8	R32	R32-G36 PolarHBondContact N-O 2.86Å; R32-G36 VanDerWaalsContact N-O 3.11Å; R32-G36 PolarHBondContact O-N 3.1Å
37	L	83.8	Confident	86.1	Confident	110 Å²	110	56.9 Å²	56.9	58%	0.576	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.8	177.5	-57.3	178.7	0	0	0	110	V29 Q31 L93	V29-L37 HydrophobicContact CG2-CD2 4.39Å; Q31-L37 HydrophobicContact CB-CD2 3.58Å; Q31-L37 HydrophobicContact CG-CD2 3.74Å; L37-L93 HydrophobicContact CD2-CD1 3.77Å
38	E	86.9	Confident	86.3	Confident	32 Å²	32	56.2 Å²	56.2	15%	0.15	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	116	174.1	-173.7	174.2	-149.9	0	0	109.4	V29 K30 R32 I40 K55 F56	V29-E38 CarbonylContact C-O 3.58Å; V29-E38 VanDerWaalsContact CA-O 3.31Å; V29-E38 WeakPolarHBondContact CA-O 3.33Å; K30-E38 HydrophobicContact CB-CB 4.41Å; K30-E38 PolarHBondContact N-O 2.78Å; K30-E38 PolarHBondContact O-N 2.87Å; R32-E38 IonicContact CZ-OE2 2.67Å; R32-E38 VanDerWaalsContact CZ-OE2 3.27Å; R32-E38 IonicContact NE-OE2 3.18Å; R32-E38 PolarHBondContact NE-OE2 3.02Å; R32-E38 IonicContact NH2-OE1 3.07Å; R32-E38 IonicContact NH2-OE2 3.42Å; R32-E38 PolarHBondContact NH2-OE2 3.07Å; E38-I40 PolarHBondContact O-N 3.16Å; E38-K55 WeakPolarHBondContact OE1-CD 3.3Å; E38-K55 IonicContact OE1-NZ 3.97Å; E38-K55 PolarHBondContact OE1-NZ 2.72Å; E38-F56 HydrophobicContact CG-CE2 3.85Å; E38-F56 HydrophobicContact CG-CZ 4.16Å
39	W	89.8	Confident	86.6	Confident	87 Å²	87	57.9 Å²	57.9	33%	0.33	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	128.9	179.5	-176.6	73.5	0	0	0	111.6	H27 V29 G41 R42 K51 N53	H27-W39 AromaticContact ND1-CD1 3.91Å; H27-W39 AromaticContact ND1-NE1 3.21Å; H27-W39 PolarHBondContact ND1-NE1 2.87Å; V29-W39 HydrophobicContact CG1-CB 4.49Å; W39-G41 VanDerWaalsContact CE2-C 3.48Å; W39-G41 PolarHBondContact NE1-O 3.22Å; W39-G41 VanDerWaalsContact NE1-O 3.1Å; W39-R42 HydrophobicContact CZ2-CB 4.09Å; W39-R42 HydrophobicContact CZ2-CG 4.12Å; W39-K51 HydrophobicContact CH2-CB 4.19Å; W39-N53 HydrophobicContact CE3-CB 3.79Å; W39-N53 HydrophobicContact CZ3-CB 3.99Å; W39-N53 WeakPolarHBondContact O-CB 3.1Å; W39-N53 PolarHBondContact O-ND2 2.88Å
40	I	90.8	Very high	87	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-48.2	-179	-59.7	173.4	0	0	0	110.1	W28 K30 E38 N53 F56 A60 M73 L92	W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.45Å; W28-I40 WeakPolarHBondContact O-CB 3.28Å; W28-I40 PolarHBondContact O-N 3.07Å; K30-I40 HydrophobicContact CB-CD1 4.1Å; K30-I40 HydrophobicContact CB-CG1 4.32Å; E38-I40 PolarHBondContact O-N 3.16Å; I40-N53 PolarHBondContact O-N 2.93Å; I40-F56 HydrophobicContact CB-CD2 4.39Å; I40-F56 HydrophobicContact CB-CG 4.35Å; I40-F56 HydrophobicContact CG1-CD1 4.36Å; I40-F56 HydrophobicContact CG1-CD2 4.32Å; I40-F56 HydrophobicContact CG1-CE1 4.33Å; I40-F56 HydrophobicContact CG1-CE2 4.29Å; I40-F56 HydrophobicContact CG1-CG 4.36Å; I40-F56 HydrophobicContact CG1-CZ 4.29Å; I40-F56 HydrophobicContact CG2-CB 3.76Å; I40-F56 HydrophobicContact CG2-CD1 4.17Å; I40-F56 HydrophobicContact CG2-CD2 4.36Å; I40-F56 HydrophobicContact CG2-CG 3.85Å; I40-A60 HydrophobicContact CG2-CB 3.87Å; I40-M73 HydrophobicContact CB-SD 4.48Å; I40-M73 HydrophobicContact CD1-CE 3.77Å; I40-M73 HydrophobicContact CD1-SD 3.78Å; I40-M73 HydrophobicContact CG2-SD 3.83Å; I40-L92 HydrophobicContact CD1-CD2 3.88Å
41	G	92.4	Very high	87.6	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.5	178.6	-173.4	0	0	0	0	0	112.5	W28 W39 K51	W28-G41 PolarHBondContact N-O 2.95Å; W28-G41 PolarHBondContact O-N 2.86Å; W39-G41 VanDerWaalsContact CE2-C 3.48Å; W39-G41 PolarHBondContact NE1-O 3.22Å; W39-G41 VanDerWaalsContact NE1-O 3.1Å; G41-K51 CarbonylContact C-O 3.57Å; G41-K51 WeakPolarHBondContact CA-O 3.33Å
42	R	92.2	Very high	88.3	Confident	52 Å²	52	63 Å²	63	20%	0.196	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	153.9	171.6	74.5	-174.5	-169.9	-163.7	8.6	110.9	W25 M26 W39 T50 K51	W25-R42 VanDerWaalsContact CE3-NH1 3.35Å; W25-R42 VanDerWaalsContact CH2-CZ 3.46Å; M26-R42 CarbonylContact O-C 3.59Å; M26-R42 WeakPolarHBondContact O-CA 3.34Å; W39-R42 HydrophobicContact CZ2-CB 4.09Å; W39-R42 HydrophobicContact CZ2-CG 4.12Å; R42-T50 WeakPolarHBondContact O-CA 3.42Å; R42-K51 HydrophobicContact CG-CB 4.18Å; R42-K51 PolarHBondContact N-O 2.82Å; R42-K51 PolarHBondContact O-N 3.26Å
43	I	92.3	Very high	89.2	Confident	4 Å²	4	61 Å²	61	2%	0.021	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.6	170.3	-174	157.3	0	0	0	109.3	M26 P45 G49 T50 L62 V64	M26-I43 HydrophobicContact CB-CG2 3.89Å; M26-I43 PolarHBondContact N-O 3.34Å; M26-I43 PolarHBondContact O-N 2.88Å; I43-P45 WeakPolarHBondContact O-CD 3.2Å; I43-G49 WeakPolarHBondContact CA-O 3.36Å; I43-T50 HydrophobicContact CB-CG2 4.02Å; I43-T50 HydrophobicContact CD1-CG2 3.66Å; I43-T50 HydrophobicContact CG1-CG2 3.78Å; I43-L62 HydrophobicContact CB-CB 4.09Å; I43-L62 HydrophobicContact CB-CD1 4.28Å; I43-L62 HydrophobicContact CD1-CB 4.07Å; I43-L62 HydrophobicContact CG2-CB 4.41Å; I43-V64 HydrophobicContact CD1-CB 4.48Å; I43-V64 HydrophobicContact CD1-CG1 3.7Å; I43-V64 HydrophobicContact CD1-CG2 4.33Å; I43-V64 HydrophobicContact CG1-CG1 3.86Å; I43-V64 HydrophobicContact CG2-CG1 3.88Å
44	D	92	Very high	90	Very high	31 Å²	31	62.8 Å²	62.8	17%	0.166	35%	0.352	C	S	.	.			trans	-83.5	112.7	168.4	176.6	-7.6	0	0	0	108.5	N46 S47 G48 G49	D44-N46 PolarHBondContact O-N 2.81Å; D44-N46 WeakPolarHBondContact OD1-CA 3.28Å; D44-N46 VanDerWaalsContact OD1-CB 3.31Å; D44-N46 WeakPolarHBondContact OD1-CB 3.43Å; D44-N46 PolarHBondContact OD1-N 2.86Å; D44-S47 WeakPolarHBondContact CB-OG 3.5Å; D44-S47 PolarHBondContact OD1-N 2.89Å; D44-S47 WeakPolarHBondContact OD2-CB 3.31Å; D44-S47 PolarHBondContact OD2-OG 3.14Å; D44-G48 WeakPolarHBondContact O-CA 2.91Å; D44-G48 PolarHBondContact O-N 3.18Å; D44-G49 PolarHBondContact N-O 2.97Å
45	P	89.4	Confident	90.4	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.9	-178.6	-17.2	32.7	0	0	0	113.9	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.87Å; F21-P45 HydrophobicContact CD2-CB 4.31Å; F21-P45 HydrophobicContact CD2-CG 4.24Å; F21-P45 HydrophobicContact CE1-CB 3.56Å; F21-P45 HydrophobicContact CE1-CG 4.3Å; F21-P45 HydrophobicContact CE2-CB 4.03Å; F21-P45 HydrophobicContact CE2-CG 3.86Å; F21-P45 HydrophobicContact CG-CB 4.26Å; F21-P45 HydrophobicContact CZ-CB 3.65Å; F21-P45 HydrophobicContact CZ-CG 3.9Å; F21-P45 WeakPolarHBondContact O-CG 3.21Å; Y24-P45 WeakPolarHBondContact O-CD 3.42Å; Y24-P45 VanDerWaalsContact O-CG 3.28Å; Y24-P45 WeakPolarHBondContact O-CG 3.2Å; I43-P45 WeakPolarHBondContact O-CD 3.2Å; P45-V64 HydrophobicContact CB-CG1 4.09Å; P45-V64 HydrophobicContact CG-CG1 4.39Å; P45-K66 WeakPolarHBondContact O-CE 3.37Å
46	N	91	Very high	91	Very high	96 Å²	96	56.4 Å²	56.4	51%	0.513	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-55.9	174.8	-171.6	32.1	0	0	0	111.5	T22 D44 K66	T22-N46 WeakPolarHBondContact O-CB 3.04Å; D44-N46 PolarHBondContact O-N 2.81Å; D44-N46 WeakPolarHBondContact OD1-CA 3.28Å; D44-N46 VanDerWaalsContact OD1-CB 3.31Å; D44-N46 WeakPolarHBondContact OD1-CB 3.43Å; D44-N46 PolarHBondContact OD1-N 2.86Å; N46-K66 VanDerWaalsContact O-CE 3.31Å; N46-K66 WeakPolarHBondContact O-CE 3.38Å; N46-K66 PolarHBondContact O-NZ 2.99Å
47	S	94.1	Very high	91.3	Very high	82 Å²	82	59.9 Å²	59.9	57%	0.573	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-19.8	-174.8	65.6	0	0	0	0	114.2	D44 G49	D44-S47 WeakPolarHBondContact CB-OG 3.5Å; D44-S47 PolarHBondContact OD1-N 2.89Å; D44-S47 WeakPolarHBondContact OD2-CB 3.31Å; D44-S47 PolarHBondContact OD2-OG 3.14Å; S47-G49 PolarHBondContact O-N 3.43Å; S47-G49 PolarHBondContact OG-N 2.65Å; S47-G49 VanDerWaalsContact OG-N 3.15Å
48	G	92.2	Very high	91.6	Very high	33 Å²	33	59.6 Å²	59.6	34%	0.34	31%	0.314	S	S	.	.			trans	75.1	3.1	-167.6	0	0	0	0	0	113.5	D44 T50	D44-G48 WeakPolarHBondContact O-CA 2.91Å; D44-G48 PolarHBondContact O-N 3.18Å; G48-T50 PolarHBondContact O-N 2.98Å
49	G	94.9	Very high	91.7	Very high	39 Å²	39	63 Å²	63	40%	0.402	33%	0.328	S	S	.	.			trans	-62.2	128.7	179.8	0	0	0	0	0	111.7	I43 D44 S47	I43-G49 WeakPolarHBondContact CA-O 3.36Å; D44-G49 PolarHBondContact N-O 2.97Å; S47-G49 PolarHBondContact O-N 3.43Å; S47-G49 PolarHBondContact OG-N 2.65Å; S47-G49 VanDerWaalsContact OG-N 3.15Å
50	T	95.3	Very high	91.7	Very high	59 Å²	59	59 Å²	59	36%	0.362	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	145.8	-179.1	53.7	0	0	0	0	111.9	R42 I43 G48 Y52 L62	R42-T50 WeakPolarHBondContact O-CA 3.42Å; I43-T50 HydrophobicContact CB-CG2 4.02Å; I43-T50 HydrophobicContact CD1-CG2 3.66Å; I43-T50 HydrophobicContact CG1-CG2 3.78Å; G48-T50 PolarHBondContact O-N 2.98Å; T50-Y52 HydrophobicContact CG2-CE2 4.48Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.19Å; T50-L62 HydrophobicContact CG2-CB 4.04Å
51	K	94.9	Very high	91.9	Very high	125 Å²	125	62.5 Å²	62.5	54%	0.543	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.7	164.6	-65.2	-166.3	179.2	-174.8	0	109.2	W39 G41 R42	W39-K51 HydrophobicContact CH2-CB 4.19Å; G41-K51 CarbonylContact C-O 3.57Å; G41-K51 WeakPolarHBondContact CA-O 3.33Å; R42-K51 HydrophobicContact CG-CB 4.18Å; R42-K51 PolarHBondContact N-O 2.82Å; R42-K51 PolarHBondContact O-N 3.26Å
52	Y	94.1	Very high	91.9	Very high	55 Å²	55	63 Å²	63	22%	0.216	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	151.7	-177.6	-63	-89.3	0	0	0	110.6	T50 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.48Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.19Å; Y52-A60 HydrophobicContact CD1-CB 4.31Å; Y52-A60 HydrophobicContact CE1-CB 4.18Å; Y52-A60 WeakPolarHBondContact CE1-O 3.34Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 2.88Å; Y52-L62 VanDerWaalsContact OH-N 3.11Å
53	N	92.8	Very high	92.1	Very high	41 Å²	41	63.6 Å²	63.6	22%	0.219	35%	0.347	C	S	.	.			trans	-71.5	135.7	157.2	-178.2	-30.2	0	0	0	108.6	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.79Å; W39-N53 HydrophobicContact CZ3-CB 3.99Å; W39-N53 WeakPolarHBondContact O-CB 3.1Å; W39-N53 PolarHBondContact O-ND2 2.88Å; I40-N53 PolarHBondContact O-N 2.93Å; N53-K55 PolarHBondContact O-N 3.46Å; N53-K55 VanDerWaalsContact O-N 3.07Å; N53-K55 PolarHBondContact OD1-N 2.98Å; N53-K55 VanDerWaalsContact OD1-N 3.11Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 3.08Å; N53-K57 PolarHBondContact O-N 2.73Å
54	E	92.9	Very high	92.1	Very high	137 Å²	137	65.3 Å²	65.3	64%	0.64	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-35.7	-179.4	-72.9	-64.3	141.8	0	0	112.8	F56 K57	E54-F56 PolarHBondContact O-N 3.13Å; E54-K57 IonicContact OE1-NZ 3.89Å; E54-K57 PolarHBondContact OE1-NZ 2.82Å; E54-K57 VanDerWaalsContact OE1-NZ 3.07Å; E54-K57 IonicContact OE2-NZ 3.27Å
55	K	88.3	Confident	92.2	Very high	136 Å²	136	66.5 Å²	66.5	59%	0.591	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.9	177.2	-68.7	179.8	179.1	173.3	0	114.6	E38 N53	E38-K55 WeakPolarHBondContact OE1-CD 3.3Å; E38-K55 IonicContact OE1-NZ 3.97Å; E38-K55 PolarHBondContact OE1-NZ 2.72Å; N53-K55 PolarHBondContact O-N 3.46Å; N53-K55 VanDerWaalsContact O-N 3.07Å; N53-K55 PolarHBondContact OD1-N 2.98Å; N53-K55 VanDerWaalsContact OD1-N 3.11Å
56	F	88.5	Confident	92.3	Very high	20 Å²	20	71.4 Å²	71.4	9%	0.088	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-8.6	-172.7	-62.9	-83.2	0	0	0	113.2	E38 I40 N53 E54 S58 K59 A60	E38-F56 HydrophobicContact CG-CE2 3.85Å; E38-F56 HydrophobicContact CG-CZ 4.16Å; I40-F56 HydrophobicContact CB-CD2 4.39Å; I40-F56 HydrophobicContact CB-CG 4.35Å; I40-F56 HydrophobicContact CG1-CD1 4.36Å; I40-F56 HydrophobicContact CG1-CD2 4.32Å; I40-F56 HydrophobicContact CG1-CE1 4.33Å; I40-F56 HydrophobicContact CG1-CE2 4.29Å; I40-F56 HydrophobicContact CG1-CG 4.36Å; I40-F56 HydrophobicContact CG1-CZ 4.29Å; I40-F56 HydrophobicContact CG2-CB 3.76Å; I40-F56 HydrophobicContact CG2-CD1 4.17Å; I40-F56 HydrophobicContact CG2-CD2 4.36Å; I40-F56 HydrophobicContact CG2-CG 3.85Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 3.08Å; E54-F56 PolarHBondContact O-N 3.13Å; F56-S58 PolarHBondContact O-N 2.86Å; F56-S58 VanDerWaalsContact O-N 3.14Å; F56-K59 CarbonylContact O-C 3.57Å; F56-K59 PolarHBondContact O-N 3.38Å; F56-A60 HydrophobicContact CB-CB 4.21Å; F56-A60 WeakPolarHBondContact O-CB 3.34Å; F56-A60 PolarHBondContact O-N 2.77Å
57	K	89.9	Confident	92.3	Very high	119 Å²	119	72.9 Å²	72.9	52%	0.517	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-34.2	-176.5	-168.4	176.9	-173.2	176.6	0	114.1	N53 E54	N53-K57 PolarHBondContact O-N 2.73Å; E54-K57 IonicContact OE1-NZ 3.89Å; E54-K57 PolarHBondContact OE1-NZ 2.82Å; E54-K57 VanDerWaalsContact OE1-NZ 3.07Å; E54-K57 IonicContact OE2-NZ 3.27Å
58	S	89.7	Confident	92.1	Very high	103 Å²	103	70.7 Å²	70.7	72%	0.72	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-5	176.8	59.4	0	0	0	0	114.5	F56	F56-S58 PolarHBondContact O-N 2.86Å; F56-S58 VanDerWaalsContact O-N 3.14Å
59	K	88.8	Confident	92.1	Very high	104 Å²	104	71 Å²	71	45%	0.452	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-21.3	-173	-59.8	-179.2	-176.9	177.7	0	113.2	F56 L75 S76	F56-K59 CarbonylContact O-C 3.57Å; F56-K59 PolarHBondContact O-N 3.38Å; K59-L75 CarbonylContact O-C 3.52Å; K59-L75 VanDerWaalsContact O-CA 3.26Å; K59-L75 WeakPolarHBondContact O-CA 2.88Å; K59-S76 PolarHBondContact O-N 2.84Å; K59-S76 PolarHBondContact O-OG 3.29Å
60	A	90.3	Very high	91.8	Very high	4 Å²	4	69.7 Å²	69.7	3%	0.033	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.4	-175.1	0	0	0	0	0	110.6	I40 Y52 F56 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.87Å; Y52-A60 HydrophobicContact CD1-CB 4.31Å; Y52-A60 HydrophobicContact CE1-CB 4.18Å; Y52-A60 WeakPolarHBondContact CE1-O 3.34Å; F56-A60 HydrophobicContact CB-CB 4.21Å; F56-A60 WeakPolarHBondContact O-CB 3.34Å; F56-A60 PolarHBondContact O-N 2.77Å; A60-Q74 CarbonylContact C-O 3.58Å; A60-Q74 WeakPolarHBondContact CA-O 3.43Å; A60-L75 HydrophobicContact CB-CD2 3.69Å
61	T	93.5	Very high	91.6	Very high	73 Å²	73	66.9 Å²	66.9	45%	0.448	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	123.5	169.3	-56.1	0	0	0	0	108.4	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.27Å; T61-M73 CarbonylContact O-C 3.49Å; T61-M73 WeakPolarHBondContact O-CA 3.27Å; T61-Q74 PolarHBondContact N-O 2.85Å; T61-Q74 PolarHBondContact O-N 3.12Å
62	L	93.4	Very high	91.5	Very high	9 Å²	9	63.3 Å²	63.3	5%	0.047	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	133.3	176	-53.7	-177.7	0	0	0	110.4	W28 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CD2-CD2 4.43Å; W28-L62 HydrophobicContact CG-CD2 4Å; I43-L62 HydrophobicContact CB-CB 4.09Å; I43-L62 HydrophobicContact CB-CD1 4.28Å; I43-L62 HydrophobicContact CD1-CB 4.07Å; I43-L62 HydrophobicContact CG2-CB 4.41Å; T50-L62 HydrophobicContact CG2-CB 4.04Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 2.88Å; Y52-L62 VanDerWaalsContact OH-N 3.11Å; L62-Y72 WeakPolarHBondContact CA-O 3.43Å; L62-M73 HydrophobicContact CD2-CB 3.68Å; L62-M73 HydrophobicContact CD2-CG 3.59Å; L62-M73 HydrophobicContact CD2-SD 4.01Å
63	T	95.1	Very high	91.4	Very high	65 Å²	65	60.7 Å²	60.7	40%	0.399	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	163.4	175.2	64.9	0	0	0	0	111.5	T61 A71 Y72	T61-T63 HydrophobicContact CG2-CG2 4.27Å; T63-A71 CarbonylContact O-C 3.56Å; T63-A71 WeakPolarHBondContact O-CA 3.44Å; T63-Y72 PolarHBondContact N-O 2.85Å; T63-Y72 PolarHBondContact O-N 2.93Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.49Å
64	V	93.4	Very high	91.3	Very high	40 Å²	40	63 Å²	63	24%	0.242	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	145.8	176	-68	0	0	0	0	110.7	F21 I43 P45 T70 A71	F21-V64 HydrophobicContact CE1-CB 4.31Å; F21-V64 HydrophobicContact CE1-CG1 4.47Å; F21-V64 HydrophobicContact CZ-CB 4.32Å; F21-V64 HydrophobicContact CZ-CG1 4.05Å; I43-V64 HydrophobicContact CD1-CB 4.48Å; I43-V64 HydrophobicContact CD1-CG1 3.7Å; I43-V64 HydrophobicContact CD1-CG2 4.33Å; I43-V64 HydrophobicContact CG1-CG1 3.86Å; I43-V64 HydrophobicContact CG2-CG1 3.88Å; P45-V64 HydrophobicContact CB-CG1 4.09Å; P45-V64 HydrophobicContact CG-CG1 4.39Å; V64-T70 CarbonylContact C-O 3.55Å; V64-A71 HydrophobicContact CG1-CB 4.13Å
65	D	93.3	Very high	91	Very high	57 Å²	57	57.5 Å²	57.5	31%	0.305	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	100.9	170.6	176.3	6.4	0	0	0	107.3	P67 S68 S69 T70 Y72	D65-P67 VanDerWaalsContact OD1-CD 3.22Å; D65-P67 WeakPolarHBondContact OD1-CD 3.39Å; D65-S68 WeakPolarHBondContact CB-OG 3.26Å; D65-S68 PolarHBondContact OD1-N 2.98Å; D65-S68 VanDerWaalsContact OD2-CB 3.26Å; D65-S68 WeakPolarHBondContact OD2-CB 3.2Å; D65-S68 PolarHBondContact OD2-OG 2.91Å; D65-S69 WeakPolarHBondContact O-CA 3.3Å; D65-S69 PolarHBondContact O-N 2.67Å; D65-T70 PolarHBondContact N-O 3.42Å; D65-T70 PolarHBondContact O-N 3.15Å; D65-Y72 HydrophobicContact CB-CE2 3.81Å
66	K	91.1	Very high	90.7	Very high	102 Å²	102	53 Å²	53	44%	0.443	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-49	-175.7	-66.1	171.6	174.1	177	0	111.8	T22 P45 N46 S68 S69	T22-K66 HydrophobicContact CG2-CG 4.49Å; P45-K66 WeakPolarHBondContact O-CE 3.37Å; N46-K66 VanDerWaalsContact O-CE 3.31Å; N46-K66 WeakPolarHBondContact O-CE 3.38Å; N46-K66 PolarHBondContact O-NZ 2.99Å; K66-S68 VanDerWaalsContact C-N 3.27Å; K66-S68 PolarHBondContact O-N 2.85Å; K66-S69 PolarHBondContact O-N 2.86Å
67	P	91.3	Very high	89.5	Confident	127 Å²	127	55.8 Å²	55.8	83%	0.825	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-41.8	176.5	-28.8	32	0	0	0	114.3	D65 S69	D65-P67 VanDerWaalsContact OD1-CD 3.22Å; D65-P67 WeakPolarHBondContact OD1-CD 3.39Å; P67-S69 VanDerWaalsContact C-N 3.33Å
68	S	91.5	Very high	88.1	Confident	37 Å²	37	53 Å²	53	26%	0.259	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	0.3	178.9	74.9	0	0	0	0	114	D65 K66 T70	D65-S68 WeakPolarHBondContact CB-OG 3.26Å; D65-S68 PolarHBondContact OD1-N 2.98Å; D65-S68 VanDerWaalsContact OD2-CB 3.26Å; D65-S68 WeakPolarHBondContact OD2-CB 3.2Å; D65-S68 PolarHBondContact OD2-OG 2.91Å; K66-S68 VanDerWaalsContact C-N 3.27Å; K66-S68 PolarHBondContact O-N 2.85Å; S68-T70 PolarHBondContact O-N 3.46Å; S68-T70 PolarHBondContact O-OG1 3.17Å; S68-T70 VanDerWaalsContact OG-CB 3.27Å; S68-T70 WeakPolarHBondContact OG-CB 3.35Å; S68-T70 PolarHBondContact OG-OG1 3.4Å; S68-T70 VanDerWaalsContact OG-OG1 3.1Å
69	S	90.3	Very high	86.2	Confident	40 Å²	40	53.7 Å²	53.7	28%	0.28	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	40.3	-173.1	-63.2	0	0	0	0	112.8	K15 A16 D65 K66 P67	K15-S69 WeakPolarHBondContact CA-O 3.2Å; A16-S69 PolarHBondContact N-O 2.78Å; D65-S69 WeakPolarHBondContact O-CA 3.3Å; D65-S69 PolarHBondContact O-N 2.67Å; K66-S69 PolarHBondContact O-N 2.86Å; P67-S69 VanDerWaalsContact C-N 3.33Å
70	T	90.3	Very high	84	Confident	10 Å²	10	53.1 Å²	53.1	6%	0.061	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127.8	-172.8	-56	0	0	0	0	112	C14 V64 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.54Å; C14-T70 VanDerWaalsContact O-CA 3.25Å; C14-T70 WeakPolarHBondContact O-CA 3.49Å; V64-T70 CarbonylContact C-O 3.55Å; D65-T70 PolarHBondContact N-O 3.42Å; D65-T70 PolarHBondContact O-N 3.15Å; S68-T70 PolarHBondContact O-N 3.46Å; S68-T70 PolarHBondContact O-OG1 3.17Å; S68-T70 VanDerWaalsContact OG-CB 3.27Å; S68-T70 WeakPolarHBondContact OG-CB 3.35Å; S68-T70 PolarHBondContact OG-OG1 3.4Å; S68-T70 VanDerWaalsContact OG-OG1 3.1Å; T70-Y72 HydrophobicContact CG2-CD1 4.39Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 3.8Å; T70-Y72 HydrophobicContact CG2-CE2 3.72Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.41Å
71	A	90.9	Very high	81.6	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	144.9	169.1	0	0	0	0	0	110.9	S13 C14 F21 M26 W28 T63 V64	S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.42Å; C14-A71 HydrophobicContact CB-CB 4.5Å; C14-A71 PolarHBondContact N-O 3.11Å; C14-A71 PolarHBondContact O-N 3.11Å; F21-A71 HydrophobicContact CE2-CB 4.29Å; F21-A71 HydrophobicContact CZ-CB 4.07Å; M26-A71 HydrophobicContact CB-CB 4.28Å; M26-A71 HydrophobicContact CG-CB 3.77Å; W28-A71 HydrophobicContact CZ2-CB 4.27Å; T63-A71 CarbonylContact O-C 3.56Å; T63-A71 WeakPolarHBondContact O-CA 3.44Å; V64-A71 HydrophobicContact CG1-CB 4.13Å
72	Y	92	Very high	79	Confident	51 Å²	51	58 Å²	58	20%	0.2	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148.7	177.5	-54.2	-93	0	0	0	111.8	K11 L12 S13 W28 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.5Å; K11-Y72 VanDerWaalsContact CE-CD1 3.42Å; L12-Y72 CarbonylContact O-C 3.54Å; L12-Y72 WeakPolarHBondContact O-CA 3.44Å; S13-Y72 VanDerWaalsContact CB-CD1 3.44Å; W28-Y72 VanDerWaalsContact CZ2-C 3.42Å; L62-Y72 WeakPolarHBondContact CA-O 3.43Å; T63-Y72 PolarHBondContact N-O 2.85Å; T63-Y72 PolarHBondContact O-N 2.93Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.49Å; D65-Y72 HydrophobicContact CB-CE2 3.81Å; T70-Y72 HydrophobicContact CG2-CD1 4.39Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 3.8Å; T70-Y72 HydrophobicContact CG2-CE2 3.72Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.41Å
73	M	91.4	Very high	76.5	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127.4	167.1	177.7	174.5	71.4	0	0	108.5	K11 L12 W28 I40 T61 L62 L75 L92	K11-M73 CarbonylContact C-O 3.56Å; K11-M73 WeakPolarHBondContact CA-O 3.25Å; L12-M73 HydrophobicContact CD1-CE 3.64Å; L12-M73 PolarHBondContact N-O 2.67Å; L12-M73 PolarHBondContact O-N 3.42Å; W28-M73 HydrophobicContact CB-SD 3.88Å; W28-M73 HydrophobicContact CD2-CB 3.68Å; W28-M73 HydrophobicContact CD2-CE 4.28Å; W28-M73 HydrophobicContact CD2-CG 4.4Å; W28-M73 HydrophobicContact CD2-SD 3.97Å; W28-M73 HydrophobicContact CE3-CB 3.63Å; W28-M73 HydrophobicContact CE3-CE 3.58Å; W28-M73 HydrophobicContact CE3-CG 4.36Å; W28-M73 HydrophobicContact CE3-SD 3.88Å; W28-M73 HydrophobicContact CG-CB 4.4Å; W28-M73 HydrophobicContact CG-SD 3.99Å; W28-M73 HydrophobicContact CH2-CB 3.44Å; W28-M73 VanDerWaalsContact CH2-CB 3.44Å; W28-M73 VanDerWaalsContact CH2-N 3.34Å; W28-M73 HydrophobicContact CZ2-CB 3.65Å; W28-M73 HydrophobicContact CZ3-CB 3.49Å; W28-M73 VanDerWaalsContact CZ3-CB 3.49Å; W28-M73 HydrophobicContact CZ3-CE 3.99Å; I40-M73 HydrophobicContact CB-SD 4.48Å; I40-M73 HydrophobicContact CD1-CE 3.77Å; I40-M73 HydrophobicContact CD1-SD 3.78Å; I40-M73 HydrophobicContact CG2-SD 3.83Å; T61-M73 CarbonylContact O-C 3.49Å; T61-M73 WeakPolarHBondContact O-CA 3.27Å; L62-M73 HydrophobicContact CD2-CB 3.68Å; L62-M73 HydrophobicContact CD2-CG 3.59Å; L62-M73 HydrophobicContact CD2-SD 4.01Å; M73-L75 HydrophobicContact CE-CD1 3.74Å; M73-L75 HydrophobicContact CE-CG 4.04Å; M73-L75 HydrophobicContact CG-CG 4.29Å; M73-L75 HydrophobicContact SD-CD1 4.5Å; M73-L75 HydrophobicContact SD-CD2 4.3Å; M73-L75 HydrophobicContact SD-CG 4.27Å; M73-L92 HydrophobicContact CE-CD2 3.68Å
74	Q	91.1	Very high	73.6	Confident	88 Å²	88	63.1 Å²	63.1	41%	0.411	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125.1	170.2	-174.6	170.4	-0.9	0	0	109	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.6Å; V10-Q74 WeakPolarHBondContact O-CA 3.48Å; A60-Q74 CarbonylContact C-O 3.58Å; A60-Q74 WeakPolarHBondContact CA-O 3.43Å; T61-Q74 PolarHBondContact N-O 2.85Å; T61-Q74 PolarHBondContact O-N 3.12Å
75	L	87.3	Confident	70.7	Confident	22 Å²	22	67.1 Å²	67.1	12%	0.115	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.5	173.9	-71.7	169.7	0	0	0	109.6	S9 V10 K59 A60 M73	S9-L75 CarbonylContact C-O 3.42Å; S9-L75 WeakPolarHBondContact CA-O 3.31Å; V10-L75 PolarHBondContact N-O 3.1Å; V10-L75 PolarHBondContact O-N 2.81Å; K59-L75 CarbonylContact O-C 3.52Å; K59-L75 VanDerWaalsContact O-CA 3.26Å; K59-L75 WeakPolarHBondContact O-CA 2.88Å; A60-L75 HydrophobicContact CB-CD2 3.69Å; M73-L75 HydrophobicContact CE-CD1 3.74Å; M73-L75 HydrophobicContact CE-CG 4.04Å; M73-L75 HydrophobicContact CG-CG 4.29Å; M73-L75 HydrophobicContact SD-CD1 4.5Å; M73-L75 HydrophobicContact SD-CD2 4.3Å; M73-L75 HydrophobicContact SD-CG 4.27Å
76	S	81.6	Confident	68.3	Low	41 Å²	41	75.4 Å²	75.4	29%	0.287	45%	0.446	S	S	.	.			trans	-99	151.7	175.7	48	0	0	0	0	111.8	K59	K59-S76 PolarHBondContact O-N 2.84Å; K59-S76 PolarHBondContact O-OG 3.29Å
77	S	64.3	Low	65.4	Low	80 Å²	80	78.6 Å²	78.6	56%	0.559	46%	0.462	S	S	*	.			trans	64	53.1	174.6	-54.5	0	0	0	0	115.3	T79	S77-T79 PolarHBondContact O-N 2.76Å
78	L	59.9	Low	62.7	Low	59 Å²	59	82.2 Å²	82.2	31%	0.309	47%	0.467	S	S	.	.			trans	-67	100.1	164.3	-65	175.8	0	0	0	109.1	V10	V10-L78 HydrophobicContact CB-CD1 4.15Å; V10-L78 HydrophobicContact CG2-CD1 3.4Å; V10-L78 VanDerWaalsContact CG2-CD1 3.4Å
79	T	49.3	Very low	59.9	Low	118 Å²	118	84.1 Å²	84.1	72%	0.724	48%	0.481	S	S	*	.			trans	-68.6	131.4	169.5	-29.7	0	0	0	0	108.1	S77 G81	S77-T79 PolarHBondContact O-N 2.76Å; T79-G81 PolarHBondContact O-N 2.91Å
80	S	43.4	Very low	57.2	Low	92 Å²	92	89.9 Å²	89.9	64%	0.643	50%	0.503	S	S	*	.	S	Bend	trans	-63.6	70.1	-177.6	175.3	0	0	0	0	112.9
81	G	40.3	Very low	54.7	Low	73 Å²	73	90.7 Å²	90.7	75%	0.753	51%	0.509	S	S	*	.			trans	-143.2	16.3	171.1	0	0	0	0	0	112.4	T79	T79-G81 PolarHBondContact O-N 2.91Å
82	L	38	Very low	52.5	Low	108 Å²	108	93.1 Å²	93.1	57%	0.565	52%	0.522	S	S	*	.	S	Bend	trans	-124.1	14.7	-171.9	-101.1	154	0	0	0	113.7
83	L	41.6	Very low	50.4	Low	121 Å²	121	94.4 Å²	94.4	63%	0.634	53%	0.532	S	S	*	.			trans	-131.5	72.7	171.2	-63.8	172.8	0	0	0	108.4	V4	V4-L83 HydrophobicContact CB-CD1 4.48Å; V4-L83 HydrophobicContact CG2-CD1 4.18Å
84	G	32.8	Very low	48.7	Very low	60 Å²	60	97.2 Å²	97.2	62%	0.619	54%	0.542	S	S	*	.			trans	-62.3	164.3	158.4	0	0	0	0	0	110.5	R86	G84-R86 PolarHBondContact O-N 2.78Å
85	P	33.8	Very low	46.4	Very low	124 Å²	124	100 Å²	100	81%	0.805	56%	0.555	S	S	*	*	S	Bend	trans	-53.1	136.6	-168.3	22	-32.1	0	0	0	111.5	H87	P85-H87 PolarHBondContact O-N 2.76Å
86	R	43	Very low	44.1	Very low	230 Å²	230	102.1 Å²	102.1	87%	0.868	57%	0.572	S	S	*	*			trans	-39.1	93.7	-176.8	-70.7	-178.8	-77.6	-110.3	-0	113.3	G84	G84-R86 PolarHBondContact O-N 2.78Å
87	H	29.6	Very low	42.2	Very low	170 Å²	170	103.3 Å²	103.3	79%	0.787	58%	0.577	S	S	*	*			trans	-113.9	125.3	142.8	-74.8	-81.6	0	0	0	105.9	P85 S89	P85-H87 PolarHBondContact O-N 2.76Å; H87-S89 VanDerWaalsContact C-N 3.34Å; H87-S89 PolarHBondContact O-N 3.01Å
88	H	35.2	Very low	40.9	Very low	202 Å²	202	108.8 Å²	108.8	94%	0.935	60%	0.599	S	S	*	*	S	Bend	trans	-50.8	97	172.7	-88.1	-98.4	0	0	0	110
89	S	31.3	Very low	40	Very low	77 Å²	77	111.3 Å²	111.3	54%	0.538	61%	0.614	S	S	.	*			trans	-159.5	60.8	171.9	-82	0	0	0	0	109.1	H87 S91	H87-S89 VanDerWaalsContact C-N 3.34Å; H87-S89 PolarHBondContact O-N 3.01Å; S89-S91 PolarHBondContact O-N 3.28Å
90	H	33.9	Very low	39.5	Very low	162 Å²	162	110.9 Å²	110.9	75%	0.75	61%	0.608	S	S	*	*			trans	-74.7	76.1	153.1	-99.6	-168	0	0	0	107.5	L92	H90-L92 PolarHBondContact O-N 3.25Å
91	S	37.4	Very low	39.3	Very low	26 Å²	26	111.9 Å²	111.9	18%	0.182	61%	0.606	C	S	.	*			trans	-81	63.7	173.2	-13.5	0	0	0	0	108.8	Q31 S89	Q31-S91 CarbonylContact C-O 3.34Å; Q31-S91 WeakPolarHBondContact CA-O 3.48Å; Q31-S91 WeakPolarHBondContact CB-O 3.41Å; Q31-S91 PolarHBondContact N-O 2.96Å; S89-S91 PolarHBondContact O-N 3.28Å
92	L	45.5	Very low	39.2	Very low	52 Å²	52	114.2 Å²	114.2	27%	0.272	60%	0.597	S	S	.	*			trans	-92.9	88.1	154.5	-98.3	126.5	0	0	0	105.3	L12 K30 I40 M73 H90 R94	L12-L92 HydrophobicContact CD1-CB 4.5Å; L12-L92 HydrophobicContact CD1-CD1 4.4Å; L12-L92 HydrophobicContact CD1-CD2 4.08Å; K30-L92 HydrophobicContact CB-CD2 4.45Å; I40-L92 HydrophobicContact CD1-CD2 3.88Å; M73-L92 HydrophobicContact CE-CD2 3.68Å; H90-L92 PolarHBondContact O-N 3.25Å; L92-R94 PolarHBondContact O-N 3.06Å; L92-R94 VanDerWaalsContact O-N 3.16Å
93	L	47.9	Very low	39.3	Very low	78 Å²	78	114.6 Å²	114.6	41%	0.408	60%	0.599	S	S	.	*			trans	-63	117.3	172.2	-79	169.2	0	0	0	107.8	V29 Q31 L37	V29-L93 HydrophobicContact CG2-CB 4.13Å; V29-L93 WeakPolarHBondContact CG2-O 3.45Å; V29-L93 VanDerWaalsContact O-O 3.13Å; Q31-L93 HydrophobicContact CB-CD1 4.05Å; Q31-L93 HydrophobicContact CB-CG 4.27Å; Q31-L93 HydrophobicContact CG-CD1 4.16Å; L37-L93 HydrophobicContact CD2-CD1 3.77Å
94	R	55.5	Low	39.1	Very low	58 Å²	58	114.2 Å²	114.2	22%	0.219	60%	0.597	C	S	.	*	B	Isolated β-bridge	trans	-72.9	163	151.9	-89.1	96.5	171.8	-78.9	-16.4	107.9	L12 S13 C14 W28 L92	L12-R94 VanDerWaalsContact C-NH2 3.28Å; S13-R94 VanDerWaalsContact C-CZ 3.47Å; S13-R94 VanDerWaalsContact C-NH1 3.26Å; S13-R94 VanDerWaalsContact CA-NH2 3.28Å; S13-R94 PolarHBondContact O-NH1 2.55Å; S13-R94 PolarHBondContact O-NH2 3.18Å; C14-R94 HydrophobicContact CB-CG 4.32Å; C14-R94 VanDerWaalsContact CB-CZ 3.48Å; C14-R94 VanDerWaalsContact CB-NH1 3.26Å; W28-R94 HydrophobicContact CZ3-CG 4.38Å; W28-R94 VanDerWaalsContact CZ3-NE 3.3Å; L92-R94 PolarHBondContact O-N 3.06Å; L92-R94 VanDerWaalsContact O-N 3.16Å
95	E	42.1	Very low	39.6	Very low	146 Å²	146	118.1 Å²	118.1	68%	0.682	60%	0.596	S	S	*	*			trans	99.3	112.9	165.7	-51.3	-177.9	118.8	0	0	114.5
96	S	39.5	Very low	40	Very low	68 Å²	68	117.6 Å²	117.6	48%	0.476	58%	0.579	S	S	.	*				-145.2	95.9	119.9	-64.8	0	0	0	0	106.3	L98	S96-L98 PolarHBondContact O-N 3.49Å
97	V	42.9	Very low	39.8	Very low	65 Å²	65	108.3 Å²	108.3	39%	0.394	56%	0.555	S	S	.	*			trans	-63.7	109.8	152.6	-179.7	0	0	0	0	104.6	Y19 Y24	Y19-V97 HydrophobicContact CE1-CG2 4.07Å; Y24-V97 HydrophobicContact CD1-CG1 4.37Å; Y24-V97 HydrophobicContact CG-CG1 4.43Å
98	L	36.7	Very low	40.7	Very low	195 Å²	195	102.6 Å²	102.6	100%	1.021	53%	0.534	S	S	*	.			trans	-106.8	0	166.4	-89.6	165.2	0	0	0	107.4	Y24 S96	Y24-L98 WeakPolarHBondContact CD1-O 3.26Å; Y24-L98 VanDerWaalsContact CE1-O 3.25Å; Y24-L98 WeakPolarHBondContact CE1-O 3.22Å; S96-L98 PolarHBondContact O-N 3.49Å

Retrieved 98 of 98 residues in 18.6 ms (Link to these results)

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