X5J5H5_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5H5, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 aa.

						>X5J5H5_MOUSE|X5J5H5
PGLVAPSQSLSITCTVSGFSLSRYSVHWVRQPPGKGLEWLGMIWGGGSTDYNSALKSRLSISKDNSRSQVFLKLNSLQTDDTATYYCAKPEGRGYGYGAMDYWGQGTSVT
					

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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	45	Very low	62.8	Low	159 Å²	159	82.3 Å²	82.3	100%	1.032	53%	0.531	S	S	*	.				0	108.5	0	6.6	16.1	0	0	0	109.9
2	G	51.5	Low	64.9	Low	48 Å²	48	76.2 Å²	76.2	50%	0.495	49%	0.491	S	S	.	.			trans	-90.3	117.4	175	0	0	0	0	0	109.3	V4	G2-V4 PolarHBondContact O-N 3.25Å
3	L	51.2	Low	66.8	Low	154 Å²	154	75.5 Å²	75.5	81%	0.806	49%	0.485	S	S	*	.			trans	-69.7	118.9	168.5	-126.7	95.5	0	0	0	107.2
4	V	54.7	Low	68.3	Low	34 Å²	34	70.6 Å²	70.6	21%	0.206	45%	0.454	C	S	.	.			trans	-109.9	123.6	179	-167.8	0	0	0	0	108.5	G2 Q8 L10 L77 V109 T110	G2-V4 PolarHBondContact O-N 3.25Å; V4-Q8 HydrophobicContact CG1-CB 3.73Å; V4-L10 HydrophobicContact CG2-CD1 4.14Å; V4-L77 HydrophobicContact CB-CD1 3.92Å; V4-L77 HydrophobicContact CG1-CD1 3.29Å; V4-V109 HydrophobicContact CG2-CG1 4.17Å; V4-T110 PolarHBondContact N-O 2.6Å
5	A	56.5	Low	69.7	Low	48 Å²	48	71.6 Å²	71.6	40%	0.397	46%	0.459	S	S	.	.			trans	-69.6	146.5	-177.8	0	0	0	0	0	111.2	S7 Q8	A5-S7 PolarHBondContact O-N 3.31Å; A5-Q8 HydrophobicContact CB-CG 4.47Å; A5-Q8 WeakPolarHBondContact O-CB 3.45Å; A5-Q8 PolarHBondContact O-N 3.05Å; A5-Q8 VanDerWaalsContact O-N 3.11Å
6	P	52.7	Low	70.5	Confident	93 Å²	93	67.6 Å²	67.6	60%	0.604	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	139.4	170.3	-19.2	29.5	0	0	0	109
7	S	58.6	Low	71.2	Confident	106 Å²	106	67.8 Å²	67.8	74%	0.741	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	-7.6	-172.6	-24	0	0	0	0	117.2	A5	A5-S7 PolarHBondContact O-N 3.31Å
8	Q	73.1	Confident	71.6	Confident	107 Å²	107	68.8 Å²	68.8	50%	0.5	46%	0.461	S	S	.	.	S	Bend	trans	-84.6	161.6	171.8	-72.4	-176.2	-20.3	0	0	111.8	V4 A5 L77	V4-Q8 HydrophobicContact CG1-CB 3.73Å; A5-Q8 HydrophobicContact CB-CG 4.47Å; A5-Q8 WeakPolarHBondContact O-CB 3.45Å; A5-Q8 PolarHBondContact O-N 3.05Å; A5-Q8 VanDerWaalsContact O-N 3.11Å; Q8-L77 VanDerWaalsContact O-CD1 3.28Å; Q8-L77 WeakPolarHBondContact O-CD1 3.28Å; Q8-L77 WeakPolarHBondContact O-CG 3.28Å; Q8-L77 PolarHBondContact O-N 3.11Å
9	S	78.5	Confident	72	Confident	66 Å²	66	66.6 Å²	66.6	46%	0.462	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-91	127.8	170.9	-55.8	0	0	0	0	109	L74 N75	S9-L74 CarbonylContact C-O 3.59Å; S9-L74 WeakPolarHBondContact CA-O 3.01Å; S9-N75 PolarHBondContact OG-OD1 2.88Å
10	L	82.8	Confident	72.6	Confident	15 Å²	15	66.1 Å²	66.1	8%	0.079	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	135.1	170.4	173.5	68.3	0	0	0	108.8	V4 I12 K73 L74 L77 Y85 V109	V4-L10 HydrophobicContact CG2-CD1 4.14Å; L10-I12 HydrophobicContact CD1-CG1 4.01Å; L10-I12 HydrophobicContact CD2-CD1 3.59Å; L10-I12 HydrophobicContact CD2-CG1 3.97Å; L10-I12 HydrophobicContact CG-CD1 4.05Å; L10-I12 HydrophobicContact CG-CG1 3.86Å; L10-K73 CarbonylContact O-C 3.5Å; L10-K73 VanDerWaalsContact O-CA 3.28Å; L10-K73 WeakPolarHBondContact O-CA 3.41Å; L10-L74 HydrophobicContact CB-CB 4.43Å; L10-L74 PolarHBondContact N-O 2.86Å; L10-L74 PolarHBondContact O-N 2.83Å; L10-L77 HydrophobicContact CB-CD1 3.73Å; L10-L77 HydrophobicContact CB-CD2 3.8Å; L10-L77 HydrophobicContact CB-CG 4.12Å; L10-L77 HydrophobicContact CD2-CD2 4.15Å; L10-Y85 HydrophobicContact CD2-CE2 4.21Å; L10-V109 HydrophobicContact CD1-CG1 4.03Å; L10-V109 HydrophobicContact CD1-CG2 3.9Å; L10-V109 HydrophobicContact CD2-CB 4.33Å; L10-V109 HydrophobicContact CD2-CG1 4.02Å; L10-V109 HydrophobicContact CD2-CG2 3.91Å
11	S	86.7	Confident	73.3	Confident	75 Å²	75	63.1 Å²	63.1	52%	0.524	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	117.2	167.8	-174	0	0	0	0	109	L72	S11-L72 CarbonylContact C-O 3.54Å; S11-L72 WeakPolarHBondContact CA-O 3.36Å
12	I	87.4	Confident	75.3	Confident	9 Å²	9	58.3 Å²	58.3	5%	0.046	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	134.5	176.3	-59.3	157.2	0	0	0	108.2	L10 W28 F71 L72 Y85 V109	L10-I12 HydrophobicContact CD1-CG1 4.01Å; L10-I12 HydrophobicContact CD2-CD1 3.59Å; L10-I12 HydrophobicContact CD2-CG1 3.97Å; L10-I12 HydrophobicContact CG-CD1 4.05Å; L10-I12 HydrophobicContact CG-CG1 3.86Å; I12-W28 HydrophobicContact CB-CH2 4.18Å; I12-W28 HydrophobicContact CB-CZ3 4.24Å; I12-W28 HydrophobicContact CG2-CH2 3.74Å; I12-W28 HydrophobicContact CG2-CZ3 3.71Å; I12-F71 CarbonylContact O-C 3.31Å; I12-F71 WeakPolarHBondContact O-CA 3.12Å; I12-L72 HydrophobicContact CB-CB 4.38Å; I12-L72 HydrophobicContact CD1-CD2 4.08Å; I12-L72 PolarHBondContact N-O 2.86Å; I12-L72 PolarHBondContact O-N 2.99Å; I12-Y85 VanDerWaalsContact CD1-CB 3.47Å; I12-Y85 HydrophobicContact CD1-CD1 3.54Å; I12-Y85 HydrophobicContact CD1-CD2 3.72Å; I12-Y85 HydrophobicContact CD1-CE1 4.17Å; I12-Y85 HydrophobicContact CD1-CE2 4.35Å; I12-Y85 HydrophobicContact CD1-CG 3.28Å; I12-V109 HydrophobicContact CD1-CG2 4.43Å
13	T	89.7	Confident	76.8	Confident	67 Å²	67	66 Å²	66	41%	0.411	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.7	176.7	-55.7	0	0	0	0	109.4	Q69 F71	T13-Q69 HydrophobicContact CG2-CB 4.17Å; T13-Q69 HydrophobicContact CG2-CG 3.96Å; T13-F71 HydrophobicContact CG2-CD1 3.91Å; T13-F71 HydrophobicContact CG2-CE1 3.56Å; T13-F71 HydrophobicContact CG2-CZ 4.35Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.41Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.32Å
14	C	87.9	Confident	78.3	Confident	8 Å²	8	63.7 Å²	63.7	5%	0.054	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	116.6	168.6	172.8	0	0	0	0	109	W28 Q69 V70 C87	C14-W28 HydrophobicContact CB-CH2 3.52Å; C14-W28 HydrophobicContact CB-CZ2 3.71Å; C14-W28 HydrophobicContact CB-CZ3 4.41Å; C14-Q69 CarbonylContact O-C 3.51Å; C14-Q69 WeakPolarHBondContact O-CA 3.43Å; C14-V70 PolarHBondContact N-O 2.92Å; C14-V70 PolarHBondContact O-N 2.88Å; C14-C87 HydrophobicContact CB-CB 3.46Å; C14-C87 VanDerWaalsContact CB-CB 3.46Å; C14-C87 WeakPolarHBondContact CB-SG 3.47Å; C14-C87 WeakPolarHBondContact SG-CB 3.35Å; C14-C87 CovalentContact SG-SG 2.02Å; C14-C87 PolarHBondContact SG-SG 2.79Å
15	T	88.9	Confident	79.8	Confident	85 Å²	85	62.6 Å²	62.6	52%	0.521	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119.8	171.6	-54.6	0	0	0	0	108.1	Q69	T15-Q69 HydrophobicContact CG2-CG 4.28Å; T15-Q69 PolarHBondContact OG1-NE2 3.02Å
16	V	82.7	Confident	81.3	Confident	7 Å²	7	60.4 Å²	60.4	4%	0.042	36%	0.362	C	S	.	.			trans	-95.2	148	178.3	-56.1	0	0	0	0	110.4	F19 L21 V26 S68	V16-F19 HydrophobicContact CB-CE1 3.74Å; V16-F19 HydrophobicContact CB-CE2 4.22Å; V16-F19 HydrophobicContact CB-CZ 3.56Å; V16-F19 HydrophobicContact CG1-CE1 4.13Å; V16-F19 HydrophobicContact CG1-CE2 4.32Å; V16-F19 HydrophobicContact CG1-CZ 3.57Å; V16-F19 HydrophobicContact CG2-CE1 4.37Å; V16-F19 HydrophobicContact CG2-CE2 4.13Å; V16-F19 HydrophobicContact CG2-CZ 3.99Å; V16-L21 HydrophobicContact CB-CD2 4.42Å; V16-L21 HydrophobicContact CG1-CD2 4.12Å; V16-L21 HydrophobicContact CG2-CD1 4.02Å; V16-L21 HydrophobicContact CG2-CD2 3.49Å; V16-L21 VanDerWaalsContact CG2-CD2 3.49Å; V16-L21 HydrophobicContact CG2-CG 3.58Å; V16-V26 HydrophobicContact CG1-CG2 4.41Å; V16-S68 WeakPolarHBondContact CG2-O 3.38Å; V16-S68 PolarHBondContact N-O 3.14Å; V16-S68 WeakPolarHBondContact O-CB 3.49Å
17	S	82.2	Confident	83	Confident	71 Å²	71	56.8 Å²	56.8	50%	0.497	34%	0.337	S	S	.	.			trans	-137.3	156.5	173	64.5	0	0	0	0	109.5	F19	S17-F19 VanDerWaalsContact C-N 3.32Å; S17-F19 WeakPolarHBondContact O-CD1 3.31Å; S17-F19 PolarHBondContact O-N 2.79Å
18	G	79.8	Confident	84.6	Confident	86 Å²	86	51.9 Å²	51.9	89%	0.887	30%	0.302	S	S	*	.	S	Bend	trans	80.4	-0.3	179.4	0	0	0	0	0	116.1
19	F	78.1	Confident	85.3	Confident	28 Å²	28	47.2 Å²	47.2	12%	0.123	28%	0.281	C	S	.	.	S	Bend	trans	-154.5	161.8	172.1	66.4	-85.6	0	0	0	112.8	V16 S17 L21 Y24 V26 K89	V16-F19 HydrophobicContact CB-CE1 3.74Å; V16-F19 HydrophobicContact CB-CE2 4.22Å; V16-F19 HydrophobicContact CB-CZ 3.56Å; V16-F19 HydrophobicContact CG1-CE1 4.13Å; V16-F19 HydrophobicContact CG1-CE2 4.32Å; V16-F19 HydrophobicContact CG1-CZ 3.57Å; V16-F19 HydrophobicContact CG2-CE1 4.37Å; V16-F19 HydrophobicContact CG2-CE2 4.13Å; V16-F19 HydrophobicContact CG2-CZ 3.99Å; S17-F19 VanDerWaalsContact C-N 3.32Å; S17-F19 WeakPolarHBondContact O-CD1 3.31Å; S17-F19 PolarHBondContact O-N 2.79Å; F19-L21 HydrophobicContact CE2-CD2 3.97Å; F19-Y24 HydrophobicContact CB-CD2 3.86Å; F19-Y24 HydrophobicContact CB-CE2 4.09Å; F19-Y24 HydrophobicContact CB-CG 4.48Å; F19-Y24 AromaticContact CD2-CD2 3.96Å; F19-Y24 HydrophobicContact CD2-CD2 3.96Å; F19-Y24 HydrophobicContact CD2-CG 4.02Å; F19-Y24 HydrophobicContact CG-CD2 4.33Å; F19-V26 HydrophobicContact CE2-CG2 3.98Å; F19-V26 HydrophobicContact CZ-CG2 4.1Å; F19-K89 HydrophobicContact CD1-CD 3.78Å; F19-K89 HydrophobicContact CD2-CD 4.42Å; F19-K89 HydrophobicContact CE1-CB 4.21Å; F19-K89 HydrophobicContact CE1-CD 3.83Å; F19-K89 HydrophobicContact CE1-CG 4.3Å; F19-K89 HydrophobicContact CE2-CD 4.45Å; F19-K89 HydrophobicContact CE2-CG 4.43Å; F19-K89 HydrophobicContact CG-CD 4.06Å; F19-K89 HydrophobicContact CZ-CB 4.09Å; F19-K89 HydrophobicContact CZ-CD 4.15Å; F19-K89 HydrophobicContact CZ-CG 4.17Å
20	S	84.5	Confident	85.9	Confident	56 Å²	56	45 Å²	45	39%	0.392	26%	0.262	S	S	.	.			trans	-93.6	126.2	177	-173.6	0	0	0	0	111.9	S22 R23 Y24	S20-S22 PolarHBondContact O-N 2.83Å; S20-S22 VanDerWaalsContact O-N 3.1Å; S20-S22 PolarHBondContact OG-N 2.84Å; S20-S22 PolarHBondContact OG-OG 2.92Å; S20-R23 PolarHBondContact O-N 2.78Å; S20-Y24 PolarHBondContact O-N 3.25Å
21	L	86.7	Confident	86.1	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.016	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-14	174.1	-69.5	-179	0	0	0	114.3	V16 F19 R23 V26 G45 K63 N65 Q69 V70	V16-L21 HydrophobicContact CB-CD2 4.42Å; V16-L21 HydrophobicContact CG1-CD2 4.12Å; V16-L21 HydrophobicContact CG2-CD1 4.02Å; V16-L21 HydrophobicContact CG2-CD2 3.49Å; V16-L21 VanDerWaalsContact CG2-CD2 3.49Å; V16-L21 HydrophobicContact CG2-CG 3.58Å; F19-L21 HydrophobicContact CE2-CD2 3.97Å; L21-R23 VanDerWaalsContact C-N 3.35Å; L21-V26 HydrophobicContact CD2-CG2 3.55Å; L21-G45 WeakPolarHBondContact O-CA 3.45Å; L21-K63 HydrophobicContact CB-CD 4.4Å; L21-K63 HydrophobicContact CD1-CB 4.41Å; L21-K63 PolarHBondContact O-NZ 3.01Å; L21-N65 WeakPolarHBondContact CB-OD1 3.45Å; L21-Q69 WeakPolarHBondContact CD1-O 3.39Å; L21-V70 HydrophobicContact CD1-CG2 3.84Å; L21-V70 HydrophobicContact CD2-CG2 3.57Å; L21-V70 HydrophobicContact CG-CG2 4.38Å
22	S	86.5	Confident	86.2	Confident	58 Å²	58	44.8 Å²	44.8	41%	0.406	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-22.2	174.1	62.3	0	0	0	0	113.2	S20 G45	S20-S22 PolarHBondContact O-N 2.83Å; S20-S22 VanDerWaalsContact O-N 3.1Å; S20-S22 PolarHBondContact OG-N 2.84Å; S20-S22 PolarHBondContact OG-OG 2.92Å; S22-G45 CarbonylContact O-C 3.53Å; S22-G45 VanDerWaalsContact O-C 3.31Å; S22-G45 VanDerWaalsContact O-CA 3.31Å; S22-G45 WeakPolarHBondContact O-CA 3.28Å
23	R	83.1	Confident	86.2	Confident	210 Å²	210	49.3 Å²	49.3	79%	0.792	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-25.1	-174	-65.5	-173.1	179.3	-172.8	-0.3	114	S20 L21	S20-R23 PolarHBondContact O-N 2.78Å; L21-R23 VanDerWaalsContact C-N 3.35Å
24	Y	82.8	Confident	86.1	Confident	105 Å²	105	50.6 Å²	50.6	41%	0.412	31%	0.31	S	S	.	.	S	Bend	trans	-114.7	150	-175.9	-67.3	-88.7	0	0	0	111.1	F19 S20 G45 K89	F19-Y24 HydrophobicContact CB-CD2 3.86Å; F19-Y24 HydrophobicContact CB-CE2 4.09Å; F19-Y24 HydrophobicContact CB-CG 4.48Å; F19-Y24 AromaticContact CD2-CD2 3.96Å; F19-Y24 HydrophobicContact CD2-CD2 3.96Å; F19-Y24 HydrophobicContact CD2-CG 4.02Å; F19-Y24 HydrophobicContact CG-CD2 4.33Å; S20-Y24 PolarHBondContact O-N 3.25Å; Y24-G45 PolarHBondContact O-N 3.3Å; Y24-K89 VanDerWaalsContact CD1-CE 3.43Å
25	S	86.1	Confident	86.1	Confident	11 Å²	11	56.3 Å²	56.3	8%	0.077	33%	0.334	C	S	.	.			trans	-82.9	156.3	167.4	53.9	0	0	0	0	111.4	I43 P90	S25-I43 CarbonylContact C-O 3.54Å; S25-I43 WeakPolarHBondContact CA-O 3.34Å; S25-I43 WeakPolarHBondContact CB-O 3.44Å; S25-P90 VanDerWaalsContact O-CD 3.24Å; S25-P90 WeakPolarHBondContact O-CD 3.47Å; S25-P90 VanDerWaalsContact OG-CG 3.25Å; S25-P90 WeakPolarHBondContact OG-CG 3.31Å
26	V	87.9	Confident	86	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.012	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.6	173.4	178.7	0	0	0	0	108.5	V16 F19 L21 M42 I43 V70 C87 A88	V16-V26 HydrophobicContact CG1-CG2 4.41Å; F19-V26 HydrophobicContact CE2-CG2 3.98Å; F19-V26 HydrophobicContact CZ-CG2 4.1Å; L21-V26 HydrophobicContact CD2-CG2 3.55Å; V26-M42 CarbonylContact O-C 3.39Å; V26-M42 WeakPolarHBondContact O-CA 3.47Å; V26-M42 WeakPolarHBondContact O-CB 3.29Å; V26-I43 HydrophobicContact CB-CG2 4.3Å; V26-I43 PolarHBondContact N-O 3.28Å; V26-I43 PolarHBondContact O-N 2.95Å; V26-V70 HydrophobicContact CB-CG2 4.09Å; V26-V70 HydrophobicContact CG1-CB 4.39Å; V26-V70 HydrophobicContact CG1-CG1 4.31Å; V26-V70 HydrophobicContact CG1-CG2 4.12Å; V26-V70 HydrophobicContact CG2-CG2 3.97Å; V26-C87 HydrophobicContact CG1-CB 4.18Å; V26-A88 WeakPolarHBondContact CA-O 3.32Å
27	H	89.9	Confident	86.2	Confident	18 Å²	18	58.5 Å²	58.5	8%	0.083	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	146.2	178.8	-65.4	-114.4	0	0	0	109.8	W39 G41 M42 C87 A88 M100	H27-W39 AromaticContact CG-NE1 3.96Å; H27-W39 AromaticContact ND1-CD1 3.93Å; H27-W39 AromaticContact ND1-NE1 3.23Å; H27-W39 PolarHBondContact ND1-NE1 2.85Å; H27-G41 WeakPolarHBondContact CA-O 3.43Å; H27-M42 HydrophobicContact CB-CB 4.46Å; H27-M42 PolarHBondContact CE1-SD 2.76Å; H27-M42 VanDerWaalsContact NE2-CE 3.31Å; H27-M42 WeakPolarHBondContact NE2-CE 3.2Å; H27-C87 CarbonylContact O-C 3.55Å; H27-C87 VanDerWaalsContact O-CA 3.28Å; H27-C87 WeakPolarHBondContact O-CA 3.35Å; H27-A88 HydrophobicContact CB-CB 4.43Å; H27-A88 PolarHBondContact N-O 3.4Å; H27-A88 PolarHBondContact O-N 3.17Å; H27-M100 HydrophobicContact CB-CE 4Å
28	W	90.7	Very high	86.5	Confident	3 Å²	3	58 Å²	58	1%	0.011	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.8	169.4	-75	98.7	0	0	0	109.6	I12 C14 L40 G41 V70 L72 Y86 C87	I12-W28 HydrophobicContact CB-CH2 4.18Å; I12-W28 HydrophobicContact CB-CZ3 4.24Å; I12-W28 HydrophobicContact CG2-CH2 3.74Å; I12-W28 HydrophobicContact CG2-CZ3 3.71Å; C14-W28 HydrophobicContact CB-CH2 3.52Å; C14-W28 HydrophobicContact CB-CZ2 3.71Å; C14-W28 HydrophobicContact CB-CZ3 4.41Å; W28-L40 HydrophobicContact CB-CB 4.06Å; W28-L40 HydrophobicContact CB-CD1 4.39Å; W28-L40 WeakPolarHBondContact O-CB 3.44Å; W28-L40 PolarHBondContact O-N 2.96Å; W28-G41 PolarHBondContact N-O 2.99Å; W28-V70 HydrophobicContact CZ2-CB 4.36Å; W28-V70 HydrophobicContact CZ2-CG1 4.14Å; W28-L72 HydrophobicContact CB-CD1 4.13Å; W28-L72 HydrophobicContact CB-CD2 4.43Å; W28-L72 HydrophobicContact CD2-CB 3.72Å; W28-L72 HydrophobicContact CD2-CD1 4.2Å; W28-L72 HydrophobicContact CD2-CD2 4.01Å; W28-L72 HydrophobicContact CD2-CG 4.21Å; W28-L72 HydrophobicContact CE3-CB 3.98Å; W28-L72 HydrophobicContact CE3-CD2 3.81Å; W28-L72 HydrophobicContact CE3-CG 4.42Å; W28-L72 HydrophobicContact CG-CB 4.26Å; W28-L72 HydrophobicContact CG-CD1 3.87Å; W28-L72 HydrophobicContact CG-CD2 4.3Å; W28-L72 HydrophobicContact CG-CG 4.38Å; W28-L72 HydrophobicContact CH2-CB 4Å; W28-L72 HydrophobicContact CZ2-CB 3.76Å; W28-L72 HydrophobicContact CZ3-CB 4.11Å; W28-L72 HydrophobicContact CZ3-CD2 4.36Å; W28-Y86 WeakPolarHBondContact CA-O 3.33Å; W28-C87 HydrophobicContact CD2-CB 4.41Å; W28-C87 HydrophobicContact CE3-CB 4.21Å; W28-C87 HydrophobicContact CH2-CB 4.23Å; W28-C87 HydrophobicContact CZ2-CB 4.41Å; W28-C87 HydrophobicContact CZ3-CB 4.12Å
29	V	89.6	Confident	87	Confident	9 Å²	9	57.8 Å²	57.8	6%	0.055	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	143.7	-178.7	-175.9	0	0	0	0	107.7	L37 E38 Y86 M100	V29-L37 HydrophobicContact CG1-CB 3.75Å; V29-L37 HydrophobicContact CG1-CD2 3.69Å; V29-L37 HydrophobicContact CG1-CG 4.24Å; V29-E38 CarbonylContact C-O 3.53Å; V29-E38 VanDerWaalsContact CA-O 3.31Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-E38 WeakPolarHBondContact CG1-O 3.38Å; V29-Y86 PolarHBondContact N-O 3.44Å; V29-Y86 PolarHBondContact O-N 3.1Å; V29-M100 HydrophobicContact CG2-CE 4.11Å; V29-M100 HydrophobicContact CG2-SD 3.91Å
30	R	89.7	Confident	87.6	Confident	19 Å²	19	56.5 Å²	56.5	7%	0.072	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	154.3	169.8	69.3	174.7	179.6	-172.7	9.2	111.4	E38 L40 D81 A83 T84 Y85	R30-E38 HydrophobicContact CG-CB 3.97Å; R30-E38 IonicContact CZ-OE2 3.34Å; R30-E38 PolarHBondContact N-O 3.26Å; R30-E38 IonicContact NE-OE2 2.86Å; R30-E38 PolarHBondContact NE-OE2 2.69Å; R30-E38 IonicContact NH2-OE2 2.92Å; R30-E38 PolarHBondContact NH2-OE2 3.46Å; R30-E38 PolarHBondContact O-N 2.86Å; R30-L40 HydrophobicContact CB-CD1 4.07Å; R30-L40 HydrophobicContact CB-CD2 4.49Å; R30-L40 HydrophobicContact CB-CG 4.37Å; R30-L40 HydrophobicContact CG-CD1 4.26Å; R30-L40 HydrophobicContact CG-CD2 3.79Å; R30-L40 HydrophobicContact CG-CG 4.13Å; R30-D81 IonicContact CZ-OD1 3.94Å; R30-D81 IonicContact NH1-OD1 2.8Å; R30-D81 PolarHBondContact NH1-OD1 3.23Å; R30-A83 HydrophobicContact CB-CB 3.85Å; R30-A83 HydrophobicContact CG-CB 4.22Å; R30-T84 CarbonylContact C-O 3.45Å; R30-T84 VanDerWaalsContact CA-O 3.22Å; R30-T84 WeakPolarHBondContact CA-O 3.43Å; R30-Y85 HydrophobicContact CB-CD1 3.95Å; R30-Y85 HydrophobicContact CB-CE1 3.99Å; R30-Y85 HydrophobicContact CB-CG 4.33Å
31	Q	88.1	Confident	88	Confident	76 Å²	76	53.8 Å²	53.8	36%	0.355	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	103	171.9	-168.1	175.5	22.9	0	0	109.6	L37 A83 T84 Y86	Q31-L37 HydrophobicContact CB-CD2 3.92Å; Q31-L37 HydrophobicContact CG-CD2 4.36Å; Q31-A83 WeakPolarHBondContact O-CA 3.4Å; Q31-A83 WeakPolarHBondContact O-CB 3.22Å; Q31-T84 PolarHBondContact N-O 2.87Å; Q31-T84 PolarHBondContact O-N 3.11Å; Q31-Y86 HydrophobicContact CB-CE2 3.79Å
32	P	88.7	Confident	88.2	Confident	9 Å²	9	54.2 Å²	54.2	6%	0.058	29%	0.294	C	S	.	.			trans	-66.4	151.4	170.8	-16.9	30.3	0	0	0	111.1	G34 K35 A83	P32-G34 PolarHBondContact O-N 3.23Å; P32-K35 HydrophobicContact CB-CB 4.03Å; P32-K35 HydrophobicContact CB-CD 3.99Å; P32-K35 HydrophobicContact CB-CG 4.22Å; P32-K35 HydrophobicContact CG-CB 4.2Å; P32-K35 HydrophobicContact CG-CD 4.16Å; P32-K35 PolarHBondContact O-N 2.8Å; P32-A83 HydrophobicContact CB-CB 4.45Å; P32-A83 HydrophobicContact CG-CB 4.32Å
33	P	86.8	Confident	88.5	Confident	104 Å²	104	51.8 Å²	51.8	68%	0.675	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	126.3	176.5	-24.1	33.4	0	0	0	111.8	K35 T82	P33-K35 PolarHBondContact O-N 3.08Å; P33-T82 VanDerWaalsContact CD-O 3.32Å; P33-T82 WeakPolarHBondContact CD-O 3.3Å
34	G	87.8	Confident	88.8	Confident	95 Å²	95	47 Å²	47	98%	0.979	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	8.1	-180	0	0	0	0	0	115.5	P32	P32-G34 PolarHBondContact O-N 3.23Å
35	K	87	Confident	89.1	Confident	128 Å²	128	42.6 Å²	42.6	56%	0.557	25%	0.246	S	C	*	.	S	Bend	trans	-117.4	166.1	176.9	-62.6	-170.8	-177.6	175.4	0	112.2	P32 P33	P32-K35 HydrophobicContact CB-CB 4.03Å; P32-K35 HydrophobicContact CB-CD 3.99Å; P32-K35 HydrophobicContact CB-CG 4.22Å; P32-K35 HydrophobicContact CG-CB 4.2Å; P32-K35 HydrophobicContact CG-CD 4.16Å; P32-K35 PolarHBondContact O-N 2.8Å; P33-K35 PolarHBondContact O-N 3.08Å
36	G	86.9	Confident	89.1	Confident	52 Å²	52	46 Å²	46	54%	0.536	28%	0.282	S	S	.	.			trans	-71.2	177.6	172.7	0	0	0	0	0	113.1
37	L	88.1	Confident	89.1	Confident	86 Å²	86	47.6 Å²	47.6	45%	0.45	30%	0.3	S	S	.	.			trans	-71.3	129.1	174.2	-70.7	166.4	0	0	0	110.6	V29 Q31 Y86 Y102	V29-L37 HydrophobicContact CG1-CB 3.75Å; V29-L37 HydrophobicContact CG1-CD2 3.69Å; V29-L37 HydrophobicContact CG1-CG 4.24Å; Q31-L37 HydrophobicContact CB-CD2 3.92Å; Q31-L37 HydrophobicContact CG-CD2 4.36Å; L37-Y86 HydrophobicContact CD2-CD2 4.26Å; L37-Y86 HydrophobicContact CD2-CE2 4.27Å; L37-Y102 WeakPolarHBondContact CD1-OH 3.11Å
38	E	88.5	Confident	89.2	Confident	60 Å²	60	50.1 Å²	50.1	28%	0.28	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.8	176.6	-67.3	-178	179.3	0	0	110	V29 R30	V29-E38 CarbonylContact C-O 3.53Å; V29-E38 VanDerWaalsContact CA-O 3.31Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-E38 WeakPolarHBondContact CG1-O 3.38Å; R30-E38 HydrophobicContact CG-CB 3.97Å; R30-E38 IonicContact CZ-OE2 3.34Å; R30-E38 PolarHBondContact N-O 3.26Å; R30-E38 IonicContact NE-OE2 2.86Å; R30-E38 PolarHBondContact NE-OE2 2.69Å; R30-E38 IonicContact NH2-OE2 2.92Å; R30-E38 PolarHBondContact NH2-OE2 3.46Å; R30-E38 PolarHBondContact O-N 2.86Å
39	W	89.4	Confident	89.3	Confident	81 Å²	81	52.2 Å²	52.2	31%	0.307	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	131.4	174	-178.1	77.5	0	0	0	110.9	H27 G41 M42 D50 N52	H27-W39 AromaticContact CG-NE1 3.96Å; H27-W39 AromaticContact ND1-CD1 3.93Å; H27-W39 AromaticContact ND1-NE1 3.23Å; H27-W39 PolarHBondContact ND1-NE1 2.85Å; W39-G41 VanDerWaalsContact CE2-C 3.5Å; W39-G41 PolarHBondContact NE1-O 3.36Å; W39-G41 VanDerWaalsContact NE1-O 3.11Å; W39-M42 HydrophobicContact CZ2-CB 4.07Å; W39-M42 HydrophobicContact CZ2-CG 3.89Å; W39-M42 HydrophobicContact CZ2-SD 4.25Å; W39-D50 HydrophobicContact CH2-CB 4.02Å; W39-D50 HydrophobicContact CZ2-CB 4.49Å; W39-N52 HydrophobicContact CE3-CB 4.16Å; W39-N52 HydrophobicContact CZ3-CB 4.31Å; W39-N52 WeakPolarHBondContact O-CB 3.22Å; W39-N52 PolarHBondContact O-ND2 3.41Å
40	L	90.9	Very high	89.4	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-39.5	-177.6	-63.8	-177.7	0	0	0	112.7	W28 R30 N52 L55 L59 L72 Y85	W28-L40 HydrophobicContact CB-CB 4.06Å; W28-L40 HydrophobicContact CB-CD1 4.39Å; W28-L40 WeakPolarHBondContact O-CB 3.44Å; W28-L40 PolarHBondContact O-N 2.96Å; R30-L40 HydrophobicContact CB-CD1 4.07Å; R30-L40 HydrophobicContact CB-CD2 4.49Å; R30-L40 HydrophobicContact CB-CG 4.37Å; R30-L40 HydrophobicContact CG-CD1 4.26Å; R30-L40 HydrophobicContact CG-CD2 3.79Å; R30-L40 HydrophobicContact CG-CG 4.13Å; L40-N52 WeakPolarHBondContact O-CB 3.31Å; L40-N52 PolarHBondContact O-N 3.35Å; L40-L55 HydrophobicContact CD2-CD1 3.31Å; L40-L59 HydrophobicContact CB-CD1 4.04Å; L40-L59 HydrophobicContact CD2-CD1 4.39Å; L40-L59 WeakPolarHBondContact O-CD1 3.44Å; L40-L72 HydrophobicContact CD1-CD2 3.74Å; L40-Y85 HydrophobicContact CD1-CD1 3.68Å; L40-Y85 HydrophobicContact CD1-CE1 3.65Å
41	G	92.3	Very high	89.5	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.3	179.4	-173.2	0	0	0	0	0	112.1	H27 W28 W39 D50	H27-G41 WeakPolarHBondContact CA-O 3.43Å; W28-G41 PolarHBondContact N-O 2.99Å; W39-G41 VanDerWaalsContact CE2-C 3.5Å; W39-G41 PolarHBondContact NE1-O 3.36Å; W39-G41 VanDerWaalsContact NE1-O 3.11Å; G41-D50 CarbonylContact C-O 3.54Å; G41-D50 WeakPolarHBondContact CA-O 3.25Å
42	M	91.9	Very high	89.6	Confident	11 Å²	11	55.4 Å²	55.4	5%	0.054	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	160.8	174.5	68.4	-174.1	-71.2	0	0	111.5	V26 H27 W39 W44 T49 D50	V26-M42 CarbonylContact O-C 3.39Å; V26-M42 WeakPolarHBondContact O-CA 3.47Å; V26-M42 WeakPolarHBondContact O-CB 3.29Å; H27-M42 HydrophobicContact CB-CB 4.46Å; H27-M42 PolarHBondContact CE1-SD 2.76Å; H27-M42 VanDerWaalsContact NE2-CE 3.31Å; H27-M42 WeakPolarHBondContact NE2-CE 3.2Å; W39-M42 HydrophobicContact CZ2-CB 4.07Å; W39-M42 HydrophobicContact CZ2-CG 3.89Å; W39-M42 HydrophobicContact CZ2-SD 4.25Å; M42-W44 HydrophobicContact CE-CD2 3.62Å; M42-W44 HydrophobicContact CE-CE3 3.78Å; M42-W44 HydrophobicContact CE-CG 4.35Å; M42-W44 HydrophobicContact CE-CH2 3.57Å; M42-W44 HydrophobicContact CE-CZ2 3.39Å; M42-W44 HydrophobicContact CE-CZ3 3.76Å; M42-W44 HydrophobicContact SD-CH2 4.3Å; M42-W44 HydrophobicContact SD-CZ2 3.71Å; M42-T49 VanDerWaalsContact O-CA 3.27Å; M42-T49 WeakPolarHBondContact O-CA 3.24Å; M42-D50 HydrophobicContact CG-CB 4.05Å; M42-D50 PolarHBondContact N-O 3.16Å; M42-D50 PolarHBondContact O-N 3.02Å
43	I	92.3	Very high	89.5	Confident	8 Å²	8	60.2 Å²	60.2	4%	0.041	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.1	168.2	-171.5	161.7	0	0	0	109.6	S25 V26 S48 T49 I61 K63 V70	S25-I43 CarbonylContact C-O 3.54Å; S25-I43 WeakPolarHBondContact CA-O 3.34Å; S25-I43 WeakPolarHBondContact CB-O 3.44Å; V26-I43 HydrophobicContact CB-CG2 4.3Å; V26-I43 PolarHBondContact N-O 3.28Å; V26-I43 PolarHBondContact O-N 2.95Å; I43-S48 CarbonylContact C-O 3.53Å; I43-S48 WeakPolarHBondContact CA-O 3.46Å; I43-T49 HydrophobicContact CB-CG2 3.94Å; I43-T49 HydrophobicContact CD1-CG2 3.87Å; I43-T49 HydrophobicContact CG1-CG2 3.76Å; I43-I61 HydrophobicContact CB-CG2 3.76Å; I43-I61 HydrophobicContact CD1-CG2 4.43Å; I43-I61 HydrophobicContact CG2-CG2 3.85Å; I43-K63 HydrophobicContact CD1-CB 4.07Å; I43-K63 HydrophobicContact CD1-CD 3.8Å; I43-K63 HydrophobicContact CD1-CG 3.73Å; I43-K63 HydrophobicContact CG1-CD 4.09Å; I43-K63 HydrophobicContact CG2-CD 4.44Å; I43-V70 HydrophobicContact CG2-CG1 3.86Å
44	W	90.3	Very high	89.4	Confident	108 Å²	108	58.9 Å²	58.9	41%	0.409	38%	0.381	S	S	.	.			trans	-81.1	164.5	179.6	-63.1	93.5	0	0	0	112	M42 G46 G47 S48 D50 K63	M42-W44 HydrophobicContact CE-CD2 3.62Å; M42-W44 HydrophobicContact CE-CE3 3.78Å; M42-W44 HydrophobicContact CE-CG 4.35Å; M42-W44 HydrophobicContact CE-CH2 3.57Å; M42-W44 HydrophobicContact CE-CZ2 3.39Å; M42-W44 HydrophobicContact CE-CZ3 3.76Å; M42-W44 HydrophobicContact SD-CH2 4.3Å; M42-W44 HydrophobicContact SD-CZ2 3.71Å; W44-G46 PolarHBondContact O-N 3.36Å; W44-G47 PolarHBondContact O-N 2.94Å; W44-S48 WeakPolarHBondContact CB-OG 3.47Å; W44-S48 PolarHBondContact N-O 3.01Å; W44-D50 PolarHBondContact NE1-OD2 3.39Å; W44-K63 PolarHBondContact O-NZ 2.97Å
45	G	87.5	Confident	89.2	Confident	14 Å²	14	54.8 Å²	54.8	14%	0.144	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-37.4	174	0	0	0	0	0	113.3	L21 S22 Y24 G47 K63	L21-G45 WeakPolarHBondContact O-CA 3.45Å; S22-G45 CarbonylContact O-C 3.53Å; S22-G45 VanDerWaalsContact O-C 3.31Å; S22-G45 VanDerWaalsContact O-CA 3.31Å; S22-G45 WeakPolarHBondContact O-CA 3.28Å; Y24-G45 PolarHBondContact O-N 3.3Å; G45-G47 VanDerWaalsContact C-N 3.3Å; G45-G47 PolarHBondContact O-N 3.13Å; G45-K63 VanDerWaalsContact C-NZ 3.27Å; G45-K63 PolarHBondContact O-NZ 2.79Å
46	G	87.8	Confident	89.1	Confident	82 Å²	82	55 Å²	55	85%	0.845	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-8.3	174.5	0	0	0	0	0	115.6	W44	W44-G46 PolarHBondContact O-N 3.36Å
47	G	88.1	Confident	89.1	Confident	36 Å²	36	57.9 Å²	57.9	37%	0.371	35%	0.349	S	S	.	.	S	Bend	trans	94.7	-4.2	177.6	0	0	0	0	0	115.7	W44 G45	W44-G47 PolarHBondContact O-N 2.94Å; G45-G47 VanDerWaalsContact C-N 3.3Å; G45-G47 PolarHBondContact O-N 3.13Å
48	S	91.1	Very high	89.2	Confident	70 Å²	70	55.2 Å²	55.2	49%	0.49	33%	0.333	S	S	.	.			trans	-62.2	149.9	168.4	48.6	0	0	0	0	110.9	I43 W44	I43-S48 CarbonylContact C-O 3.53Å; I43-S48 WeakPolarHBondContact CA-O 3.46Å; W44-S48 WeakPolarHBondContact CB-OG 3.47Å; W44-S48 PolarHBondContact N-O 3.01Å
49	T	93.1	Very high	89.3	Confident	47 Å²	47	52.9 Å²	52.9	29%	0.288	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	141.3	-178	49.7	0	0	0	0	111.1	M42 I43 Y51 I61	M42-T49 VanDerWaalsContact O-CA 3.27Å; M42-T49 WeakPolarHBondContact O-CA 3.24Å; I43-T49 HydrophobicContact CB-CG2 3.94Å; I43-T49 HydrophobicContact CD1-CG2 3.87Å; I43-T49 HydrophobicContact CG1-CG2 3.76Å; T49-Y51 VanDerWaalsContact OG1-CE2 3.27Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.34Å; T49-Y51 PolarHBondContact OG1-OH 3.07Å; T49-I61 HydrophobicContact CG2-CB 4.23Å
50	D	91.9	Very high	89.5	Confident	76 Å²	76	51.4 Å²	51.4	41%	0.406	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	145.6	170.3	-67.2	-57.1	0	0	0	109.1	W39 G41 M42 W44	W39-D50 HydrophobicContact CH2-CB 4.02Å; W39-D50 HydrophobicContact CZ2-CB 4.49Å; G41-D50 CarbonylContact C-O 3.54Å; G41-D50 WeakPolarHBondContact CA-O 3.25Å; M42-D50 HydrophobicContact CG-CB 4.05Å; M42-D50 PolarHBondContact N-O 3.16Å; M42-D50 PolarHBondContact O-N 3.02Å; W44-D50 PolarHBondContact NE1-OD2 3.39Å
51	Y	91.8	Very high	89.6	Confident	51 Å²	51	51.8 Å²	51.8	20%	0.2	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150	-174.5	-60	-84.1	0	0	0	110.5	T49 S53 K56 L59 I61	T49-Y51 VanDerWaalsContact OG1-CE2 3.27Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.34Å; T49-Y51 PolarHBondContact OG1-OH 3.07Å; Y51-S53 PolarHBondContact O-N 3.09Å; Y51-K56 HydrophobicContact CD2-CG 4.31Å; Y51-K56 HydrophobicContact CG-CG 4.31Å; Y51-L59 HydrophobicContact CD1-CB 3.85Å; Y51-L59 HydrophobicContact CE1-CB 4.15Å; Y51-I61 HydrophobicContact CD1-CD1 4.17Å; Y51-I61 HydrophobicContact CE1-CB 4.26Å; Y51-I61 HydrophobicContact CE1-CD1 3.9Å; Y51-I61 HydrophobicContact CE1-CG1 3.89Å; Y51-I61 PolarHBondContact OH-N 2.83Å
52	N	89.6	Confident	89.6	Confident	45 Å²	45	54.6 Å²	54.6	24%	0.241	35%	0.346	C	S	.	.			trans	-62.5	126.2	163.5	-174.3	-34.9	0	0	0	109.1	W39 L40 A54 L55 K56	W39-N52 HydrophobicContact CE3-CB 4.16Å; W39-N52 HydrophobicContact CZ3-CB 4.31Å; W39-N52 WeakPolarHBondContact O-CB 3.22Å; W39-N52 PolarHBondContact O-ND2 3.41Å; L40-N52 WeakPolarHBondContact O-CB 3.31Å; L40-N52 PolarHBondContact O-N 3.35Å; N52-A54 PolarHBondContact O-N 3.49Å; N52-A54 VanDerWaalsContact O-N 3.14Å; N52-A54 WeakPolarHBondContact OD1-CB 3.5Å; N52-A54 PolarHBondContact OD1-N 3.37Å; N52-L55 PolarHBondContact O-N 2.91Å; N52-K56 PolarHBondContact O-N 3.37Å
53	S	87.3	Confident	89.6	Confident	109 Å²	109	56.1 Å²	56.1	76%	0.762	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-33.1	-177.3	50.5	0	0	0	0	113.1	Y51 L55	Y51-S53 PolarHBondContact O-N 3.09Å; S53-L55 VanDerWaalsContact C-N 3.26Å; S53-L55 PolarHBondContact O-N 2.86Å
54	A	83.9	Confident	89.6	Confident	76 Å²	76	58 Å²	58	63%	0.628	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-25.3	179.3	0	0	0	0	0	113.5	N52	N52-A54 PolarHBondContact O-N 3.49Å; N52-A54 VanDerWaalsContact O-N 3.14Å; N52-A54 WeakPolarHBondContact OD1-CB 3.5Å; N52-A54 PolarHBondContact OD1-N 3.37Å
55	L	82.9	Confident	89.6	Confident	10 Å²	10	56.6 Å²	56.6	5%	0.052	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-1.6	-172.1	-62.4	172	0	0	0	113.1	L40 N52 S53 S57 R58 L59	L40-L55 HydrophobicContact CD2-CD1 3.31Å; N52-L55 PolarHBondContact O-N 2.91Å; S53-L55 VanDerWaalsContact C-N 3.26Å; S53-L55 PolarHBondContact O-N 2.86Å; L55-S57 PolarHBondContact O-N 2.76Å; L55-S57 VanDerWaalsContact O-N 3.13Å; L55-R58 VanDerWaalsContact CD2-NH2 3.28Å; L55-R58 PolarHBondContact O-N 2.66Å; L55-L59 HydrophobicContact CB-CD1 3.34Å; L55-L59 HydrophobicContact CB-CG 3.87Å; L55-L59 HydrophobicContact CD1-CD1 4.12Å; L55-L59 HydrophobicContact CG-CD1 4.38Å; L55-L59 WeakPolarHBondContact O-CB 3.48Å; L55-L59 PolarHBondContact O-N 3Å
56	K	84.8	Confident	89.7	Confident	133 Å²	133	61 Å²	61	58%	0.578	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-32	-175	-174.9	173.5	-177.8	178.8	0	114.3	Y51 N52 R58	Y51-K56 HydrophobicContact CD2-CG 4.31Å; Y51-K56 HydrophobicContact CG-CG 4.31Å; N52-K56 PolarHBondContact O-N 3.37Å; K56-R58 VanDerWaalsContact C-N 3.31Å
57	S	88.3	Confident	89.8	Confident	111 Å²	111	64.4 Å²	64.4	78%	0.776	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-20.7	179.3	58.5	0	0	0	0	113.6	L55	L55-S57 PolarHBondContact O-N 2.76Å; L55-S57 VanDerWaalsContact O-N 3.13Å
58	R	90.2	Very high	89.9	Confident	30 Å²	30	64.7 Å²	64.7	11%	0.113	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-21.1	-173.9	-62.5	-167.6	-61.4	129	2.7	113.1	L55 K56 L74 N75 S76 D81	L55-R58 VanDerWaalsContact CD2-NH2 3.28Å; L55-R58 PolarHBondContact O-N 2.66Å; K56-R58 VanDerWaalsContact C-N 3.31Å; R58-L74 HydrophobicContact CB-CD1 3.84Å; R58-N75 WeakPolarHBondContact CB-O 3.34Å; R58-N75 PolarHBondContact O-N 2.82Å; R58-N75 PolarHBondContact O-ND2 3.41Å; R58-S76 PolarHBondContact NH1-O 3.42Å; R58-D81 IonicContact CZ-OD1 3.97Å; R58-D81 IonicContact CZ-OD2 3.45Å; R58-D81 IonicContact NH1-OD1 3.9Å; R58-D81 IonicContact NH1-OD2 2.69Å; R58-D81 PolarHBondContact NH1-OD2 3.22Å; R58-D81 IonicContact NH2-OD1 3.08Å; R58-D81 PolarHBondContact NH2-OD1 2.81Å; R58-D81 VanDerWaalsContact NH2-OD1 3.08Å; R58-D81 IonicContact NH2-OD2 3.26Å; R58-D81 PolarHBondContact NH2-OD2 3.16Å
59	L	90.6	Very high	89.9	Confident	11 Å²	11	62.8 Å²	62.8	6%	0.058	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	143.7	-179.1	-77.3	173.8	0	0	0	113.1	L40 Y51 L55 L72 K73 L74	L40-L59 HydrophobicContact CB-CD1 4.04Å; L40-L59 HydrophobicContact CD2-CD1 4.39Å; L40-L59 WeakPolarHBondContact O-CD1 3.44Å; Y51-L59 HydrophobicContact CD1-CB 3.85Å; Y51-L59 HydrophobicContact CE1-CB 4.15Å; L55-L59 HydrophobicContact CB-CD1 3.34Å; L55-L59 HydrophobicContact CB-CG 3.87Å; L55-L59 HydrophobicContact CD1-CD1 4.12Å; L55-L59 HydrophobicContact CG-CD1 4.38Å; L55-L59 WeakPolarHBondContact O-CB 3.48Å; L55-L59 PolarHBondContact O-N 3Å; L59-L72 HydrophobicContact CD2-CD1 3.7Å; L59-L72 HydrophobicContact CD2-CG 4.22Å; L59-K73 CarbonylContact C-O 3.56Å; L59-K73 WeakPolarHBondContact CA-O 3Å; L59-L74 HydrophobicContact CD2-CB 4.13Å; L59-L74 HydrophobicContact CD2-CD1 3.59Å; L59-L74 HydrophobicContact CD2-CG 4.36Å; L59-L74 HydrophobicContact CG-CD1 3.86Å
60	S	92.3	Very high	89.8	Confident	51 Å²	51	60.5 Å²	60.5	36%	0.357	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	129.7	167.4	177.9	0	0	0	0	109	K73	S60-K73 PolarHBondContact N-O 2.81Å; S60-K73 PolarHBondContact O-N 2.79Å
61	I	93.5	Very high	89.8	Confident	8 Å²	8	59 Å²	59	4%	0.041	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132	176.5	-61.1	163.1	0	0	0	108.3	I43 T49 Y51 V70 F71 L72	I43-I61 HydrophobicContact CB-CG2 3.76Å; I43-I61 HydrophobicContact CD1-CG2 4.43Å; I43-I61 HydrophobicContact CG2-CG2 3.85Å; T49-I61 HydrophobicContact CG2-CB 4.23Å; Y51-I61 HydrophobicContact CD1-CD1 4.17Å; Y51-I61 HydrophobicContact CE1-CB 4.26Å; Y51-I61 HydrophobicContact CE1-CD1 3.9Å; Y51-I61 HydrophobicContact CE1-CG1 3.89Å; Y51-I61 PolarHBondContact OH-N 2.83Å; I61-V70 HydrophobicContact CG2-CG1 4.1Å; I61-F71 WeakPolarHBondContact CA-O 3.16Å; I61-L72 HydrophobicContact CD1-CD1 4.25Å; I61-L72 HydrophobicContact CG1-CD1 3.63Å
62	S	93	Very high	89.8	Confident	59 Å²	59	56.6 Å²	56.6	41%	0.413	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	168.8	174.7	67.2	0	0	0	0	110.7	V70 F71	S62-V70 CarbonylContact O-C 3.58Å; S62-V70 WeakPolarHBondContact O-CA 2.97Å; S62-V70 WeakPolarHBondContact O-CG1 3.35Å; S62-F71 PolarHBondContact N-O 2.87Å; S62-F71 PolarHBondContact O-N 2.92Å
63	K	92.3	Very high	89.9	Confident	43 Å²	43	59 Å²	59	19%	0.187	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	152.2	177.9	70.1	-177.1	-173.8	180	0	111.9	L21 I43 W44 G45 N65 Q69 V70	L21-K63 HydrophobicContact CB-CD 4.4Å; L21-K63 HydrophobicContact CD1-CB 4.41Å; L21-K63 PolarHBondContact O-NZ 3.01Å; I43-K63 HydrophobicContact CD1-CB 4.07Å; I43-K63 HydrophobicContact CD1-CD 3.8Å; I43-K63 HydrophobicContact CD1-CG 3.73Å; I43-K63 HydrophobicContact CG1-CD 4.09Å; I43-K63 HydrophobicContact CG2-CD 4.44Å; W44-K63 PolarHBondContact O-NZ 2.97Å; G45-K63 VanDerWaalsContact C-NZ 3.27Å; G45-K63 PolarHBondContact O-NZ 2.79Å; K63-N65 WeakPolarHBondContact CE-OD1 3.27Å; K63-Q69 CarbonylContact C-O 3.55Å; K63-Q69 VanDerWaalsContact CA-O 3.31Å; K63-Q69 WeakPolarHBondContact CA-O 2.99Å; K63-V70 HydrophobicContact CB-CG2 4.16Å
64	D	92.4	Very high	90	Very high	48 Å²	48	53.9 Å²	53.9	26%	0.257	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	104	169.5	-176.2	-16.6	0	0	0	108.6	S66 R67 S68 Q69 F71	D64-S66 VanDerWaalsContact C-N 3.27Å; D64-S66 PolarHBondContact O-N 3.43Å; D64-S66 WeakPolarHBondContact OD1-CA 3.43Å; D64-S66 WeakPolarHBondContact OD1-CB 3.45Å; D64-S66 PolarHBondContact OD1-N 3.04Å; D64-S66 PolarHBondContact OD1-OG 3.03Å; D64-R67 HydrophobicContact CB-CB 4.3Å; D64-R67 PolarHBondContact O-N 2.87Å; D64-R67 PolarHBondContact OD1-N 3.44Å; D64-R67 WeakPolarHBondContact OD2-CD 3.02Å; D64-R67 VanDerWaalsContact OD2-CG 3.28Å; D64-R67 WeakPolarHBondContact OD2-CG 3.27Å; D64-S68 PolarHBondContact O-N 3.42Å; D64-Q69 PolarHBondContact N-O 2.92Å; D64-Q69 PolarHBondContact O-N 2.02Å; D64-F71 HydrophobicContact CB-CE2 3.9Å
65	N	89.6	Confident	90.1	Very high	78 Å²	78	52.7 Å²	52.7	42%	0.417	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-30.6	179.8	-67.4	-15.5	0	0	0	112.2	L21 K63 R67 S68	L21-N65 WeakPolarHBondContact CB-OD1 3.45Å; K63-N65 WeakPolarHBondContact CE-OD1 3.27Å; N65-R67 VanDerWaalsContact C-N 3.32Å; N65-S68 PolarHBondContact O-N 2.78Å
66	S	89.9	Confident	90.1	Very high	107 Å²	107	55.8 Å²	55.8	75%	0.748	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-34	-178.3	73.5	0	0	0	0	111.5	D64	D64-S66 VanDerWaalsContact C-N 3.27Å; D64-S66 PolarHBondContact O-N 3.43Å; D64-S66 WeakPolarHBondContact OD1-CA 3.43Å; D64-S66 WeakPolarHBondContact OD1-CB 3.45Å; D64-S66 PolarHBondContact OD1-N 3.04Å; D64-S66 PolarHBondContact OD1-OG 3.03Å
67	R	89.8	Confident	90	Very high	153 Å²	153	50.2 Å²	50.2	58%	0.577	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-2.1	178.5	-61.3	-178.2	69.9	-175.2	0.1	113.5	D64 N65 Q69	D64-R67 HydrophobicContact CB-CB 4.3Å; D64-R67 PolarHBondContact O-N 2.87Å; D64-R67 PolarHBondContact OD1-N 3.44Å; D64-R67 WeakPolarHBondContact OD2-CD 3.02Å; D64-R67 VanDerWaalsContact OD2-CG 3.28Å; D64-R67 WeakPolarHBondContact OD2-CG 3.27Å; N65-R67 VanDerWaalsContact C-N 3.32Å; R67-Q69 HydrophobicContact CB-CB 4.32Å; R67-Q69 HydrophobicContact CB-CG 4.2Å; R67-Q69 PolarHBondContact O-N 3.08Å
68	S	88.8	Confident	89.8	Confident	43 Å²	43	50 Å²	50	30%	0.301	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	43.5	-172	-59	0	0	0	0	112	V16 D64 N65	V16-S68 WeakPolarHBondContact CG2-O 3.38Å; V16-S68 PolarHBondContact N-O 3.14Å; V16-S68 WeakPolarHBondContact O-CB 3.49Å; D64-S68 PolarHBondContact O-N 3.42Å; N65-S68 PolarHBondContact O-N 2.78Å
69	Q	91.9	Very high	89.2	Confident	29 Å²	29	53.9 Å²	53.9	14%	0.136	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142.3	-177.1	-77	176.9	-14.7	0	0	111.9	T13 C14 T15 L21 K63 D64 R67 F71	T13-Q69 HydrophobicContact CG2-CB 4.17Å; T13-Q69 HydrophobicContact CG2-CG 3.96Å; C14-Q69 CarbonylContact O-C 3.51Å; C14-Q69 WeakPolarHBondContact O-CA 3.43Å; T15-Q69 HydrophobicContact CG2-CG 4.28Å; T15-Q69 PolarHBondContact OG1-NE2 3.02Å; L21-Q69 WeakPolarHBondContact CD1-O 3.39Å; K63-Q69 CarbonylContact C-O 3.55Å; K63-Q69 VanDerWaalsContact CA-O 3.31Å; K63-Q69 WeakPolarHBondContact CA-O 2.99Å; D64-Q69 PolarHBondContact N-O 2.92Å; D64-Q69 PolarHBondContact O-N 2.02Å; R67-Q69 HydrophobicContact CB-CB 4.32Å; R67-Q69 HydrophobicContact CB-CG 4.2Å; R67-Q69 PolarHBondContact O-N 3.08Å; Q69-F71 HydrophobicContact CB-CE1 4.32Å; Q69-F71 HydrophobicContact CB-CE2 3.93Å; Q69-F71 HydrophobicContact CB-CZ 3.64Å
70	V	91.4	Very high	88.7	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.6	171.2	-174	0	0	0	0	107.8	C14 L21 V26 W28 I43 I61 S62 K63	C14-V70 PolarHBondContact N-O 2.92Å; C14-V70 PolarHBondContact O-N 2.88Å; L21-V70 HydrophobicContact CD1-CG2 3.84Å; L21-V70 HydrophobicContact CD2-CG2 3.57Å; L21-V70 HydrophobicContact CG-CG2 4.38Å; V26-V70 HydrophobicContact CB-CG2 4.09Å; V26-V70 HydrophobicContact CG1-CB 4.39Å; V26-V70 HydrophobicContact CG1-CG1 4.31Å; V26-V70 HydrophobicContact CG1-CG2 4.12Å; V26-V70 HydrophobicContact CG2-CG2 3.97Å; W28-V70 HydrophobicContact CZ2-CB 4.36Å; W28-V70 HydrophobicContact CZ2-CG1 4.14Å; I43-V70 HydrophobicContact CG2-CG1 3.86Å; I61-V70 HydrophobicContact CG2-CG1 4.1Å; S62-V70 CarbonylContact O-C 3.58Å; S62-V70 WeakPolarHBondContact O-CA 2.97Å; S62-V70 WeakPolarHBondContact O-CG1 3.35Å; K63-V70 HydrophobicContact CB-CG2 4.16Å
71	F	91.9	Very high	88.2	Confident	43 Å²	43	56.6 Å²	56.6	19%	0.189	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.4	-176.7	-51.5	-87.1	0	0	0	109.8	I12 T13 I61 S62 D64 Q69	I12-F71 CarbonylContact O-C 3.31Å; I12-F71 WeakPolarHBondContact O-CA 3.12Å; T13-F71 HydrophobicContact CG2-CD1 3.91Å; T13-F71 HydrophobicContact CG2-CE1 3.56Å; T13-F71 HydrophobicContact CG2-CZ 4.35Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.41Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.32Å; I61-F71 WeakPolarHBondContact CA-O 3.16Å; S62-F71 PolarHBondContact N-O 2.87Å; S62-F71 PolarHBondContact O-N 2.92Å; D64-F71 HydrophobicContact CB-CE2 3.9Å; Q69-F71 HydrophobicContact CB-CE1 4.32Å; Q69-F71 HydrophobicContact CB-CE2 3.93Å; Q69-F71 HydrophobicContact CB-CZ 3.64Å
72	L	91.7	Very high	87.8	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	115.6	169.1	-177.5	74.4	0	0	0	107.9	S11 I12 W28 L40 L59 I61 Y85	S11-L72 CarbonylContact C-O 3.54Å; S11-L72 WeakPolarHBondContact CA-O 3.36Å; I12-L72 HydrophobicContact CB-CB 4.38Å; I12-L72 HydrophobicContact CD1-CD2 4.08Å; I12-L72 PolarHBondContact N-O 2.86Å; I12-L72 PolarHBondContact O-N 2.99Å; W28-L72 HydrophobicContact CB-CD1 4.13Å; W28-L72 HydrophobicContact CB-CD2 4.43Å; W28-L72 HydrophobicContact CD2-CB 3.72Å; W28-L72 HydrophobicContact CD2-CD1 4.2Å; W28-L72 HydrophobicContact CD2-CD2 4.01Å; W28-L72 HydrophobicContact CD2-CG 4.21Å; W28-L72 HydrophobicContact CE3-CB 3.98Å; W28-L72 HydrophobicContact CE3-CD2 3.81Å; W28-L72 HydrophobicContact CE3-CG 4.42Å; W28-L72 HydrophobicContact CG-CB 4.26Å; W28-L72 HydrophobicContact CG-CD1 3.87Å; W28-L72 HydrophobicContact CG-CD2 4.3Å; W28-L72 HydrophobicContact CG-CG 4.38Å; W28-L72 HydrophobicContact CH2-CB 4Å; W28-L72 HydrophobicContact CZ2-CB 3.76Å; W28-L72 HydrophobicContact CZ3-CB 4.11Å; W28-L72 HydrophobicContact CZ3-CD2 4.36Å; L40-L72 HydrophobicContact CD1-CD2 3.74Å; L59-L72 HydrophobicContact CD2-CD1 3.7Å; L59-L72 HydrophobicContact CD2-CG 4.22Å; I61-L72 HydrophobicContact CD1-CD1 4.25Å; I61-L72 HydrophobicContact CG1-CD1 3.63Å; L72-Y85 HydrophobicContact CD2-CD1 3.66Å; L72-Y85 HydrophobicContact CD2-CE1 4.04Å
73	K	90.8	Very high	87.6	Confident	95 Å²	95	55.7 Å²	55.7	41%	0.413	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126	172.2	-169.7	177.3	-176.2	-175.5	0	109.5	L10 L59 S60 N75	L10-K73 CarbonylContact O-C 3.5Å; L10-K73 VanDerWaalsContact O-CA 3.28Å; L10-K73 WeakPolarHBondContact O-CA 3.41Å; L59-K73 CarbonylContact C-O 3.56Å; L59-K73 WeakPolarHBondContact CA-O 3Å; S60-K73 PolarHBondContact N-O 2.81Å; S60-K73 PolarHBondContact O-N 2.79Å; K73-N75 VanDerWaalsContact CE-OD1 3.25Å; K73-N75 WeakPolarHBondContact CE-OD1 3.34Å
74	L	89.1	Confident	87.3	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	114.8	174.3	-177.7	62.9	0	0	0	108.4	S9 L10 R58 L59 L77 D81	S9-L74 CarbonylContact C-O 3.59Å; S9-L74 WeakPolarHBondContact CA-O 3.01Å; L10-L74 HydrophobicContact CB-CB 4.43Å; L10-L74 PolarHBondContact N-O 2.86Å; L10-L74 PolarHBondContact O-N 2.83Å; R58-L74 HydrophobicContact CB-CD1 3.84Å; L59-L74 HydrophobicContact CD2-CB 4.13Å; L59-L74 HydrophobicContact CD2-CD1 3.59Å; L59-L74 HydrophobicContact CD2-CG 4.36Å; L59-L74 HydrophobicContact CG-CD1 3.86Å; L74-L77 HydrophobicContact CB-CD2 4.44Å; L74-L77 HydrophobicContact CD2-CD2 3.64Å; L74-L77 HydrophobicContact CG-CD2 4.03Å; L74-D81 HydrophobicContact CD2-CB 3.85Å
75	N	87.3	Confident	87.1	Confident	52 Å²	52	53.1 Å²	53.1	28%	0.278	29%	0.287	S	S	.	.			trans	-90.3	153.1	178.8	-56	-57.7	0	0	0	110.4	S9 R58 K73	S9-N75 PolarHBondContact OG-OD1 2.88Å; R58-N75 WeakPolarHBondContact CB-O 3.34Å; R58-N75 PolarHBondContact O-N 2.82Å; R58-N75 PolarHBondContact O-ND2 3.41Å; K73-N75 VanDerWaalsContact CE-OD1 3.25Å; K73-N75 WeakPolarHBondContact CE-OD1 3.34Å
76	S	83.8	Confident	86.9	Confident	74 Å²	74	51.7 Å²	51.7	52%	0.517	28%	0.276	S	S	.	.	S	Bend	trans	53.7	59.4	177.1	-55.7	0	0	0	0	112.2	R58 Q78	R58-S76 PolarHBondContact NH1-O 3.42Å; S76-Q78 PolarHBondContact O-N 2.85Å
77	L	82.1	Confident	86.9	Confident	17 Å²	17	47 Å²	47	9%	0.089	24%	0.243	C	C	.	.			trans	-54.5	135.1	178.5	-72.9	161.7	0	0	0	111.8	V4 Q8 L10 L74 D81	V4-L77 HydrophobicContact CB-CD1 3.92Å; V4-L77 HydrophobicContact CG1-CD1 3.29Å; Q8-L77 VanDerWaalsContact O-CD1 3.28Å; Q8-L77 WeakPolarHBondContact O-CD1 3.28Å; Q8-L77 WeakPolarHBondContact O-CG 3.28Å; Q8-L77 PolarHBondContact O-N 3.11Å; L10-L77 HydrophobicContact CB-CD1 3.73Å; L10-L77 HydrophobicContact CB-CD2 3.8Å; L10-L77 HydrophobicContact CB-CG 4.12Å; L10-L77 HydrophobicContact CD2-CD2 4.15Å; L74-L77 HydrophobicContact CB-CD2 4.44Å; L74-L77 HydrophobicContact CD2-CD2 3.64Å; L74-L77 HydrophobicContact CG-CD2 4.03Å; L77-D81 HydrophobicContact CD2-CB 4.08Å
78	Q	83.4	Confident	86.6	Confident	105 Å²	105	40 Å²	40	49%	0.491	22%	0.217	S	C	.	.			trans	-113.2	161.5	174.8	-64.1	174.8	-5	0	0	109.3	S76 D80 D81	S76-Q78 PolarHBondContact O-N 2.85Å; Q78-D80 PolarHBondContact O-N 2.8Å; Q78-D81 PolarHBondContact N-OD2 3.37Å; Q78-D81 WeakPolarHBondContact O-CB 3.33Å; Q78-D81 PolarHBondContact O-N 2.89Å
79	T	77.9	Confident	85.9	Confident	112 Å²	112	39.8 Å²	39.8	69%	0.687	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-56.6	-30.2	174.5	44.4	0	0	0	0	112.7	D81 T82	T79-D81 PolarHBondContact O-N 3.24Å; T79-T82 WeakPolarHBondContact O-CB 3.46Å; T79-T82 PolarHBondContact O-N 2.84Å; T79-T82 PolarHBondContact O-OG1 2.82Å
80	D	80.2	Confident	84.6	Confident	116 Å²	116	40.2 Å²	40.2	62%	0.62	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-73.9	-9	178.5	-67.6	1.8	0	0	0	113.1	Q78	Q78-D80 PolarHBondContact O-N 2.8Å
81	D	82.6	Confident	82.8	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.021	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-89	-2.8	175.9	-57.9	-45.7	0	0	0	112.8	R30 R58 L74 L77 Q78 T79 A83 Y85	R30-D81 IonicContact CZ-OD1 3.94Å; R30-D81 IonicContact NH1-OD1 2.8Å; R30-D81 PolarHBondContact NH1-OD1 3.23Å; R58-D81 IonicContact CZ-OD1 3.97Å; R58-D81 IonicContact CZ-OD2 3.45Å; R58-D81 IonicContact NH1-OD1 3.9Å; R58-D81 IonicContact NH1-OD2 2.69Å; R58-D81 PolarHBondContact NH1-OD2 3.22Å; R58-D81 IonicContact NH2-OD1 3.08Å; R58-D81 PolarHBondContact NH2-OD1 2.81Å; R58-D81 VanDerWaalsContact NH2-OD1 3.08Å; R58-D81 IonicContact NH2-OD2 3.26Å; R58-D81 PolarHBondContact NH2-OD2 3.16Å; L74-D81 HydrophobicContact CD2-CB 3.85Å; L77-D81 HydrophobicContact CD2-CB 4.08Å; Q78-D81 PolarHBondContact N-OD2 3.37Å; Q78-D81 WeakPolarHBondContact O-CB 3.33Å; Q78-D81 PolarHBondContact O-N 2.89Å; T79-D81 PolarHBondContact O-N 3.24Å; D81-A83 PolarHBondContact O-N 2.79Å; D81-A83 VanDerWaalsContact O-N 3.09Å; D81-Y85 WeakPolarHBondContact O-CE2 3.44Å; D81-Y85 PolarHBondContact O-OH 3.03Å
82	T	84.8	Confident	80.9	Confident	44 Å²	44	45.7 Å²	45.7	27%	0.27	26%	0.26	S	S	.	.			trans	-64.5	107.2	171.3	-62.7	0	0	0	0	109.6	P33 T79	P33-T82 VanDerWaalsContact CD-O 3.32Å; P33-T82 WeakPolarHBondContact CD-O 3.3Å; T79-T82 WeakPolarHBondContact O-CB 3.46Å; T79-T82 PolarHBondContact O-N 2.84Å; T79-T82 PolarHBondContact O-OG1 2.82Å
83	A	87.7	Confident	78.7	Confident	3 Å²	3	58.4 Å²	58.4	3%	0.025	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	165.2	-174.5	0	0	0	0	0	110.7	R30 Q31 P32 D81 Y85 V109	R30-A83 HydrophobicContact CB-CB 3.85Å; R30-A83 HydrophobicContact CG-CB 4.22Å; Q31-A83 WeakPolarHBondContact O-CA 3.4Å; Q31-A83 WeakPolarHBondContact O-CB 3.22Å; P32-A83 HydrophobicContact CB-CB 4.45Å; P32-A83 HydrophobicContact CG-CB 4.32Å; D81-A83 PolarHBondContact O-N 2.79Å; D81-A83 VanDerWaalsContact O-N 3.09Å; A83-Y85 HydrophobicContact CB-CD2 4.49Å; A83-Y85 HydrophobicContact CB-CE2 4.02Å; A83-Y85 VanDerWaalsContact O-CD2 3.29Å; A83-Y85 WeakPolarHBondContact O-CD2 3.41Å; A83-Y85 WeakPolarHBondContact O-CE2 3.25Å; A83-V109 PolarHBondContact N-O 3.47Å; A83-V109 PolarHBondContact O-N 2.88Å; A83-V109 VanDerWaalsContact O-N 3.16Å
84	T	87.4	Confident	76.3	Confident	36 Å²	36	56.4 Å²	56.4	22%	0.221	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127.1	163.5	-53.2	0	0	0	0	109.1	R30 Q31 Y86	R30-T84 CarbonylContact C-O 3.45Å; R30-T84 VanDerWaalsContact CA-O 3.22Å; R30-T84 WeakPolarHBondContact CA-O 3.43Å; Q31-T84 PolarHBondContact N-O 2.87Å; Q31-T84 PolarHBondContact O-N 3.11Å; T84-Y86 WeakPolarHBondContact CB-OH 3.45Å; T84-Y86 HydrophobicContact CG2-CE1 3.8Å; T84-Y86 HydrophobicContact CG2-CE2 3.73Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.2Å; T84-Y86 WeakPolarHBondContact O-CD2 3.46Å; T84-Y86 VanDerWaalsContact O-CE2 3.3Å; T84-Y86 WeakPolarHBondContact O-CE2 3.35Å
85	Y	87.6	Confident	74.2	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.008	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	134.1	-177.7	-69.9	-102.3	0	0	0	111	L10 I12 R30 L40 L72 D81 A83 G106 T107 V109	L10-Y85 HydrophobicContact CD2-CE2 4.21Å; I12-Y85 VanDerWaalsContact CD1-CB 3.47Å; I12-Y85 HydrophobicContact CD1-CD1 3.54Å; I12-Y85 HydrophobicContact CD1-CD2 3.72Å; I12-Y85 HydrophobicContact CD1-CE1 4.17Å; I12-Y85 HydrophobicContact CD1-CE2 4.35Å; I12-Y85 HydrophobicContact CD1-CG 3.28Å; R30-Y85 HydrophobicContact CB-CD1 3.95Å; R30-Y85 HydrophobicContact CB-CE1 3.99Å; R30-Y85 HydrophobicContact CB-CG 4.33Å; L40-Y85 HydrophobicContact CD1-CD1 3.68Å; L40-Y85 HydrophobicContact CD1-CE1 3.65Å; L72-Y85 HydrophobicContact CD2-CD1 3.66Å; L72-Y85 HydrophobicContact CD2-CE1 4.04Å; D81-Y85 WeakPolarHBondContact O-CE2 3.44Å; D81-Y85 PolarHBondContact O-OH 3.03Å; A83-Y85 HydrophobicContact CB-CD2 4.49Å; A83-Y85 HydrophobicContact CB-CE2 4.02Å; A83-Y85 VanDerWaalsContact O-CD2 3.29Å; A83-Y85 WeakPolarHBondContact O-CD2 3.41Å; A83-Y85 WeakPolarHBondContact O-CE2 3.25Å; Y85-G106 CarbonylContact O-C 3.6Å; Y85-G106 WeakPolarHBondContact O-CA 3.28Å; Y85-T107 PolarHBondContact N-O 3.25Å; Y85-T107 PolarHBondContact O-N 3.41Å; Y85-T107 VanDerWaalsContact O-N 3.08Å; Y85-V109 HydrophobicContact CD2-CB 4.29Å; Y85-V109 HydrophobicContact CD2-CG2 3.96Å; Y85-V109 HydrophobicContact CE2-CB 4.08Å; Y85-V109 HydrophobicContact CE2-CG2 4.17Å
86	Y	86.1	Confident	71.9	Confident	47 Å²	47	68.2 Å²	68.2	18%	0.184	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.9	-176.8	-53.9	-85.6	0	0	0	110.6	W28 V29 Q31 L37 T84	W28-Y86 WeakPolarHBondContact CA-O 3.33Å; V29-Y86 PolarHBondContact N-O 3.44Å; V29-Y86 PolarHBondContact O-N 3.1Å; Q31-Y86 HydrophobicContact CB-CE2 3.79Å; L37-Y86 HydrophobicContact CD2-CD2 4.26Å; L37-Y86 HydrophobicContact CD2-CE2 4.27Å; T84-Y86 WeakPolarHBondContact CB-OH 3.45Å; T84-Y86 HydrophobicContact CG2-CE1 3.8Å; T84-Y86 HydrophobicContact CG2-CE2 3.73Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.2Å; T84-Y86 WeakPolarHBondContact O-CD2 3.46Å; T84-Y86 VanDerWaalsContact O-CE2 3.3Å; T84-Y86 WeakPolarHBondContact O-CE2 3.35Å
87	C	88.3	Confident	70.1	Confident	9 Å²	9	75.7 Å²	75.7	6%	0.061	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	139.2	164.3	57.4	0	0	0	0	109.6	C14 V26 H27 W28	C14-C87 HydrophobicContact CB-CB 3.46Å; C14-C87 VanDerWaalsContact CB-CB 3.46Å; C14-C87 WeakPolarHBondContact CB-SG 3.47Å; C14-C87 WeakPolarHBondContact SG-CB 3.35Å; C14-C87 CovalentContact SG-SG 2.02Å; C14-C87 PolarHBondContact SG-SG 2.79Å; V26-C87 HydrophobicContact CG1-CB 4.18Å; H27-C87 CarbonylContact O-C 3.55Å; H27-C87 VanDerWaalsContact O-CA 3.28Å; H27-C87 WeakPolarHBondContact O-CA 3.35Å; W28-C87 HydrophobicContact CD2-CB 4.41Å; W28-C87 HydrophobicContact CE3-CB 4.21Å; W28-C87 HydrophobicContact CH2-CB 4.23Å; W28-C87 HydrophobicContact CZ2-CB 4.41Å; W28-C87 HydrophobicContact CZ3-CB 4.12Å
88	A	83.1	Confident	68.1	Low	5 Å²	5	78.3 Å²	78.3	4%	0.041	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	145.7	-176	0	0	0	0	0	111	V26 H27 M100	V26-A88 WeakPolarHBondContact CA-O 3.32Å; H27-A88 HydrophobicContact CB-CB 4.43Å; H27-A88 PolarHBondContact N-O 3.4Å; H27-A88 PolarHBondContact O-N 3.17Å; A88-M100 HydrophobicContact CB-CB 3.77Å; A88-M100 HydrophobicContact CB-CE 4.42Å; A88-M100 HydrophobicContact CB-CG 3.74Å; A88-M100 HydrophobicContact CB-SD 3.47Å; A88-M100 WeakPolarHBondContact CB-SD 3.37Å
89	K	75.3	Confident	66.1	Low	39 Å²	39	75.2 Å²	75.2	17%	0.17	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	139.9	168.1	-179.6	-165.9	169.9	-165	0	107.8	F19 Y24 E91	F19-K89 HydrophobicContact CD1-CD 3.78Å; F19-K89 HydrophobicContact CD2-CD 4.42Å; F19-K89 HydrophobicContact CE1-CB 4.21Å; F19-K89 HydrophobicContact CE1-CD 3.83Å; F19-K89 HydrophobicContact CE1-CG 4.3Å; F19-K89 HydrophobicContact CE2-CD 4.45Å; F19-K89 HydrophobicContact CE2-CG 4.43Å; F19-K89 HydrophobicContact CG-CD 4.06Å; F19-K89 HydrophobicContact CZ-CB 4.09Å; F19-K89 HydrophobicContact CZ-CD 4.15Å; F19-K89 HydrophobicContact CZ-CG 4.17Å; Y24-K89 VanDerWaalsContact CD1-CE 3.43Å; K89-E91 PolarHBondContact O-N 2.7Å
90	P	65.2	Low	64.7	Low	38 Å²	38	73 Å²	73	25%	0.247	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	124.6	168.3	26.9	-27	0	0	0	109.3	S25 G92	S25-P90 VanDerWaalsContact O-CD 3.24Å; S25-P90 WeakPolarHBondContact O-CD 3.47Å; S25-P90 VanDerWaalsContact OG-CG 3.25Å; S25-P90 WeakPolarHBondContact OG-CG 3.31Å; P90-G92 PolarHBondContact O-N 2.76Å
91	E	52.4	Low	63.1	Low	96 Å²	96	70.2 Å²	70.2	45%	0.449	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-75.1	119.9	161.8	-81.4	-160.9	114.6	0	0	109.3	K89 A99 D101	K89-E91 PolarHBondContact O-N 2.7Å; E91-A99 HydrophobicContact CB-CB 3.99Å; E91-A99 WeakPolarHBondContact CB-O 3.31Å; E91-A99 HydrophobicContact CG-CB 4.35Å; E91-A99 PolarHBondContact N-O 3.43Å; E91-A99 WeakPolarHBondContact OE2-CB 3.43Å; E91-D101 HydrophobicContact CG-CB 4.33Å; E91-D101 VanDerWaalsContact CG-OD2 3.22Å; E91-D101 WeakPolarHBondContact CG-OD2 3.35Å
92	G	51.8	Low	61.6	Low	63 Å²	63	77.2 Å²	77.2	65%	0.649	41%	0.408	S	S	*	.	S	Bend	trans	115.3	140.1	163.5	0	0	0	0	0	115.9	P90 G94	P90-G92 PolarHBondContact O-N 2.76Å; G92-G94 PolarHBondContact O-N 3.33Å
93	R	46.8	Very low	60.2	Low	267 Å²	267	81.4 Å²	81.4	100%	1.008	42%	0.419	S	S	*	.	S	Bend	trans	-71.7	74.1	159.8	-72.3	-174.6	-175.2	-164.9	2.9	108.5
94	G	40.4	Very low	58.4	Low	53 Å²	53	82.8 Å²	82.8	55%	0.546	43%	0.434	S	S	.	.	S	Bend	trans	177.3	142.2	-179.8	0	0	0	0	0	113	G92 G96	G92-G94 PolarHBondContact O-N 3.33Å; G94-G96 PolarHBondContact O-N 3.27Å
95	Y	43.3	Very low	56.7	Low	253 Å²	253	90.5 Å²	90.5	99%	0.992	47%	0.467	S	S	*	.	S	Bend	trans	-63.1	62.7	177.2	-68	-97.4	0	0	0	112.6
96	G	39.9	Very low	55.1	Low	49 Å²	49	91.7 Å²	91.7	51%	0.505	48%	0.48	S	S	.	.			trans	-138	115.1	-179.5	0	0	0	0	0	111.3	G94 G98	G94-G96 PolarHBondContact O-N 3.27Å; G96-G98 PolarHBondContact O-N 2.79Å
97	Y	46.2	Very low	53.8	Low	232 Å²	232	92.6 Å²	92.6	91%	0.91	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	45.8	170.8	-65	-88.4	0	0	0	111.8
98	G	40.3	Very low	52.3	Low	71 Å²	71	95.1 Å²	95.1	73%	0.732	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-31.4	-163.4	0	0	0	0	0	115.5	G96	G96-G98 PolarHBondContact O-N 2.79Å
99	A	40.7	Very low	51	Low	41 Å²	41	95.3 Å²	95.3	34%	0.339	51%	0.509	S	S	.	.			trans	-149.9	114.2	178.3	0	0	0	0	0	110.5	E91	E91-A99 HydrophobicContact CB-CB 3.99Å; E91-A99 WeakPolarHBondContact CB-O 3.31Å; E91-A99 HydrophobicContact CG-CB 4.35Å; E91-A99 PolarHBondContact N-O 3.43Å; E91-A99 WeakPolarHBondContact OE2-CB 3.43Å
100	M	48.8	Very low	50.1	Low	64 Å²	64	97.7 Å²	97.7	32%	0.315	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	105.3	165.6	-77.3	-170.8	174.7	0	0	105.7	H27 V29 A88 Y102	H27-M100 HydrophobicContact CB-CE 4Å; V29-M100 HydrophobicContact CG2-CE 4.11Å; V29-M100 HydrophobicContact CG2-SD 3.91Å; A88-M100 HydrophobicContact CB-CB 3.77Å; A88-M100 HydrophobicContact CB-CE 4.42Å; A88-M100 HydrophobicContact CB-CG 3.74Å; A88-M100 HydrophobicContact CB-SD 3.47Å; A88-M100 WeakPolarHBondContact CB-SD 3.37Å; M100-Y102 WeakPolarHBondContact O-CD2 3.49Å; M100-Y102 PolarHBondContact O-N 3.02Å
101	D	46.6	Very low	49.4	Very low	58 Å²	58	100.7 Å²	100.7	31%	0.31	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	114.5	164.9	-80.6	-34	0	0	0	107.5	E91 W103	E91-D101 HydrophobicContact CG-CB 4.33Å; E91-D101 VanDerWaalsContact CG-OD2 3.22Å; E91-D101 WeakPolarHBondContact CG-OD2 3.35Å; D101-W103 PolarHBondContact O-N 2.78Å
102	Y	50.5	Low	49.2	Very low	152 Å²	152	100.9 Å²	100.9	60%	0.596	55%	0.546	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	99.4	178.4	-71.8	-92	0	0	0	109.4	L37 M100	L37-Y102 WeakPolarHBondContact CD1-OH 3.11Å; M100-Y102 WeakPolarHBondContact O-CD2 3.49Å; M100-Y102 PolarHBondContact O-N 3.02Å
103	W	55.4	Low	49	Very low	131 Å²	131	103 Å²	103	50%	0.496	54%	0.54	S	S	.	.			trans	-111	39.5	-178.9	-80.7	96	0	0	0	113.6	D101	D101-W103 PolarHBondContact O-N 2.78Å
104	G	51.3	Low	49.2	Very low	32 Å²	32	93.4 Å²	93.4	33%	0.33	51%	0.513	S	S	.	.	S	Bend	trans	-162.3	135	168.1	0	0	0	0	0	111.8	G106	G104-G106 PolarHBondContact O-N 2.99Å
105	Q	51.3	Low	49.7	Very low	198 Å²	198	95.9 Å²	95.9	93%	0.925	51%	0.51	S	S	*	.			trans	-61.6	111.6	162.6	-73.1	-143.9	-2.2	0	0	107.3	T107	Q105-T107 PolarHBondContact O-N 3.41Å
106	G	53.7	Low	50.2	Low	27 Å²	27	85.4 Å²	85.4	28%	0.278	48%	0.478	S	S	.	.			trans	-57.2	139.2	-177.1	0	0	0	0	0	110.4	Y85 G104	Y85-G106 CarbonylContact O-C 3.6Å; Y85-G106 WeakPolarHBondContact O-CA 3.28Å; G104-G106 PolarHBondContact O-N 2.99Å
107	T	57.8	Low	50.9	Low	67 Å²	67	88 Å²	88	41%	0.411	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	115.8	173.9	-60.5	0	0	0	0	107.9	Y85 Q105 V109	Y85-T107 PolarHBondContact N-O 3.25Å; Y85-T107 PolarHBondContact O-N 3.41Å; Y85-T107 VanDerWaalsContact O-N 3.08Å; Q105-T107 PolarHBondContact O-N 3.41Å; T107-V109 HydrophobicContact CG2-CG2 4.05Å; T107-V109 PolarHBondContact O-N 3.22Å
108	S	57.5	Low	51.2	Low	61 Å²	61	76.9 Å²	76.9	43%	0.427	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	118.4	168.1	-176.6	0	0	0	0	108.2
109	V	55.8	Low	52.2	Low	9 Å²	9	77.4 Å²	77.4	6%	0.055	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120.3	173.3	-175.6	0	0	0	0	107.6	V4 L10 I12 A83 Y85 T107	V4-V109 HydrophobicContact CG2-CG1 4.17Å; L10-V109 HydrophobicContact CD1-CG1 4.03Å; L10-V109 HydrophobicContact CD1-CG2 3.9Å; L10-V109 HydrophobicContact CD2-CB 4.33Å; L10-V109 HydrophobicContact CD2-CG1 4.02Å; L10-V109 HydrophobicContact CD2-CG2 3.91Å; I12-V109 HydrophobicContact CD1-CG2 4.43Å; A83-V109 PolarHBondContact N-O 3.47Å; A83-V109 PolarHBondContact O-N 2.88Å; A83-V109 VanDerWaalsContact O-N 3.16Å; Y85-V109 HydrophobicContact CD2-CB 4.29Å; Y85-V109 HydrophobicContact CD2-CG2 3.96Å; Y85-V109 HydrophobicContact CE2-CB 4.08Å; Y85-V109 HydrophobicContact CE2-CG2 4.17Å; T107-V109 HydrophobicContact CG2-CG2 4.05Å; T107-V109 PolarHBondContact O-N 3.22Å
110	T	56.4	Low	53.2	Low	89 Å²	89	80.7 Å²	80.7	55%	0.546	43%	0.426	S	S	.	.			trans	-114.8	0	177.9	49.4	0	0	0	0	110	V4	V4-T110 PolarHBondContact N-O 2.6Å

Retrieved 110 of 110 residues in 24 ms (Link to these results)

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