A0A3Q0KV76_SCHMA Loading...

Smp_201180

AlphaFold DB , UniProt , Accession A0A3Q0KV76, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 84 aa.

						>A0A3Q0KV76_SCHMA|A0A3Q0KV76
MIAPIDNSLFSHLRESARSYIRQGTYALIRYNRITLQKYKCDLEIKMVSKCSLCDCLSFNLFKLIKIGTMEHHNNYLPHKKSLN
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.3	Very low	41.7	Very low	245 Å²	245	105.5 Å²	105.5	100%	1.207	60%	0.596	S	S	*	*				0	108.9	0	-74.9	172.1	177.3	0	0	108.2
2	I	28.3	Very low	42.9	Very low	157 Å²	157	106.5 Å²	106.5	81%	0.805	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-82.3	117.1	159.1	-62.1	171.7	0	0	0	103.3	P4	I2-P4 VanDerWaalsContact O-N 3.12Å
3	A	30.9	Very low	43.9	Very low	78 Å²	78	102.5 Å²	102.5	65%	0.645	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-51.4	124.2	174	0	0	0	0	0	107	I5	A3-I5 PolarHBondContact O-N 3.18Å
4	P	37.1	Very low	45.3	Very low	122 Å²	122	103.9 Å²	103.9	79%	0.792	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-53	118.8	175.8	21.3	-30	0	0	0	105.7	I2 D6	I2-P4 VanDerWaalsContact O-N 3.12Å; P4-D6 PolarHBondContact O-N 3.06Å
5	I	41.9	Very low	46.6	Very low	66 Å²	66	105.2 Å²	105.2	34%	0.338	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-51.7	118.9	172.1	-73.2	174.9	0	0	0	104.9	A3 N7 F10	A3-I5 PolarHBondContact O-N 3.18Å; I5-N7 VanDerWaalsContact C-N 3.32Å; I5-N7 PolarHBondContact O-N 3.29Å; I5-F10 HydrophobicContact CB-CD2 4.42Å; I5-F10 HydrophobicContact CB-CE2 4.37Å; I5-F10 HydrophobicContact CD1-CZ 4.49Å; I5-F10 HydrophobicContact CG2-CB 4.2Å; I5-F10 HydrophobicContact CG2-CD1 4.11Å; I5-F10 HydrophobicContact CG2-CD2 2.93Å; I5-F10 HydrophobicContact CG2-CE1 4.23Å; I5-F10 HydrophobicContact CG2-CE2 3.08Å; I5-F10 HydrophobicContact CG2-CG 3.47Å; I5-F10 VanDerWaalsContact CG2-CG 3.47Å; I5-F10 HydrophobicContact CG2-CZ 3.74Å
6	D	44.3	Very low	47.6	Very low	93 Å²	93	102.2 Å²	102.2	50%	0.497	55%	0.551	S	S	.	*			trans	-58.4	102.8	179.8	-174.3	-14.6	0	0	0	107.7	P4 S8 L9 F10	P4-D6 PolarHBondContact O-N 3.06Å; D6-S8 VanDerWaalsContact CG-OG 3.22Å; D6-S8 PolarHBondContact O-N 3.14Å; D6-S8 VanDerWaalsContact OD1-CB 3.3Å; D6-S8 WeakPolarHBondContact OD1-CB 3.3Å; D6-S8 PolarHBondContact OD1-N 3.43Å; D6-S8 PolarHBondContact OD1-OG 3.36Å; D6-S8 PolarHBondContact OD2-OG 3.16Å; D6-L9 HydrophobicContact CB-CB 4.17Å; D6-L9 PolarHBondContact O-N 2.9Å; D6-F10 PolarHBondContact O-N 3.24Å
7	N	45.7	Very low	48.6	Very low	123 Å²	123	96.4 Å²	96.4	66%	0.658	52%	0.521	S	S	*	.	H	α-helix	trans	-64	-22.5	-176	-78.8	-34.1	0	0	0	110.4	I5 S11	I5-N7 VanDerWaalsContact C-N 3.32Å; I5-N7 PolarHBondContact O-N 3.29Å; N7-S11 WeakPolarHBondContact O-CB 3.38Å; N7-S11 PolarHBondContact O-N 3.27Å; N7-S11 PolarHBondContact O-OG 3.02Å
8	S	48.8	Very low	49.5	Very low	60 Å²	60	98.1 Å²	98.1	42%	0.42	52%	0.518	S	S	.	.	H	α-helix	trans	-68.2	-51.2	174.8	74.4	0	0	0	0	110.4	D6 F10 S11 H12	D6-S8 VanDerWaalsContact CG-OG 3.22Å; D6-S8 PolarHBondContact O-N 3.14Å; D6-S8 VanDerWaalsContact OD1-CB 3.3Å; D6-S8 WeakPolarHBondContact OD1-CB 3.3Å; D6-S8 PolarHBondContact OD1-N 3.43Å; D6-S8 PolarHBondContact OD1-OG 3.36Å; D6-S8 PolarHBondContact OD2-OG 3.16Å; S8-F10 VanDerWaalsContact C-N 3.33Å; S8-F10 PolarHBondContact O-N 3.26Å; S8-S11 PolarHBondContact O-N 3.02Å; S8-S11 VanDerWaalsContact O-N 3.13Å; S8-H12 PolarHBondContact O-CD2 2.9Å; S8-H12 PolarHBondContact O-N 2.92Å
9	L	48.5	Very low	50.7	Low	98 Å²	98	95.8 Å²	95.8	51%	0.513	51%	0.511	S	S	.	.	H	α-helix	trans	-59.8	-44.3	176.2	-173.7	67.7	0	0	0	111.1	D6 S11 H12 L13	D6-L9 HydrophobicContact CB-CB 4.17Å; D6-L9 PolarHBondContact O-N 2.9Å; L9-S11 PolarHBondContact O-N 3.38Å; L9-H12 PolarHBondContact O-N 3.41Å; L9-L13 HydrophobicContact CG-CD1 4.17Å; L9-L13 WeakPolarHBondContact O-CB 3.28Å; L9-L13 VanDerWaalsContact O-CG 3.23Å; L9-L13 WeakPolarHBondContact O-CG 3.5Å; L9-L13 PolarHBondContact O-N 2.79Å
10	F	50.2	Low	51.4	Low	58 Å²	58	96.6 Å²	96.6	25%	0.254	51%	0.507	S	S	.	.	H	α-helix	trans	-67.2	-34.2	176.5	-94.9	-102.3	0	0	0	113.2	I5 D6 S8 R14 K46	I5-F10 HydrophobicContact CB-CD2 4.42Å; I5-F10 HydrophobicContact CB-CE2 4.37Å; I5-F10 HydrophobicContact CD1-CZ 4.49Å; I5-F10 HydrophobicContact CG2-CB 4.2Å; I5-F10 HydrophobicContact CG2-CD1 4.11Å; I5-F10 HydrophobicContact CG2-CD2 2.93Å; I5-F10 HydrophobicContact CG2-CE1 4.23Å; I5-F10 HydrophobicContact CG2-CE2 3.08Å; I5-F10 HydrophobicContact CG2-CG 3.47Å; I5-F10 VanDerWaalsContact CG2-CG 3.47Å; I5-F10 HydrophobicContact CG2-CZ 3.74Å; D6-F10 PolarHBondContact O-N 3.24Å; S8-F10 VanDerWaalsContact C-N 3.33Å; S8-F10 PolarHBondContact O-N 3.26Å; F10-R14 WeakPolarHBondContact O-CB 3.33Å; F10-R14 PolarHBondContact O-N 3.42Å; F10-K46 HydrophobicContact CE1-CB 4.22Å; F10-K46 WeakPolarHBondContact CE1-O 3.49Å; F10-K46 HydrophobicContact CZ-CB 4.42Å
11	S	57	Low	52	Low	61 Å²	61	95.1 Å²	95.1	43%	0.427	50%	0.499	S	S	.	.	H	α-helix	trans	-66.4	-46.8	175	-64.6	0	0	0	0	110.7	N7 S8 L9 L13 R14 E15	N7-S11 WeakPolarHBondContact O-CB 3.38Å; N7-S11 PolarHBondContact O-N 3.27Å; N7-S11 PolarHBondContact O-OG 3.02Å; S8-S11 PolarHBondContact O-N 3.02Å; S8-S11 VanDerWaalsContact O-N 3.13Å; L9-S11 PolarHBondContact O-N 3.38Å; S11-L13 PolarHBondContact O-N 2.84Å; S11-R14 PolarHBondContact O-N 2.74Å; S11-E15 WeakPolarHBondContact O-CB 3.48Å; S11-E15 WeakPolarHBondContact O-CG 3.19Å; S11-E15 PolarHBondContact O-N 3.39Å
12	H	56.2	Low	54	Low	117 Å²	117	93.8 Å²	93.8	54%	0.542	48%	0.481	S	S	.	.	H	α-helix	trans	-62.7	-42.9	175.7	-71.7	-58.9	0	0	0	112.6	S8 L9 R14 E15 S16	S8-H12 PolarHBondContact O-CD2 2.9Å; S8-H12 PolarHBondContact O-N 2.92Å; L9-H12 PolarHBondContact O-N 3.41Å; H12-R14 VanDerWaalsContact C-N 3.33Å; H12-R14 PolarHBondContact O-N 3.35Å; H12-E15 PolarHBondContact O-N 2.87Å; H12-S16 VanDerWaalsContact O-CB 3.29Å; H12-S16 WeakPolarHBondContact O-CB 3.29Å; H12-S16 PolarHBondContact O-N 3.41Å; H12-S16 PolarHBondContact O-OG 2.81Å
13	L	55.9	Low	56.1	Low	54 Å²	54	92.1 Å²	92.1	28%	0.283	47%	0.47	S	S	.	.	H	α-helix	trans	-62.9	-41.2	174.7	-73.1	174.4	0	0	0	111.2	L9 S11 A17 L43	L9-L13 HydrophobicContact CG-CD1 4.17Å; L9-L13 WeakPolarHBondContact O-CB 3.28Å; L9-L13 VanDerWaalsContact O-CG 3.23Å; L9-L13 WeakPolarHBondContact O-CG 3.5Å; L9-L13 PolarHBondContact O-N 2.79Å; S11-L13 PolarHBondContact O-N 2.84Å; L13-A17 WeakPolarHBondContact O-CB 3.46Å; L13-A17 PolarHBondContact O-N 3.12Å; L13-L43 HydrophobicContact CD2-CD1 4.16Å; L13-L43 HydrophobicContact CD2-CD2 4.15Å
14	R	62.8	Low	57.8	Low	122 Å²	122	90.4 Å²	90.4	46%	0.46	46%	0.46	S	S	.	.	H	α-helix	trans	-67.5	-40.3	177.8	-174.9	-179	-172.2	-179	2.5	112.1	F10 S11 H12 R18	F10-R14 WeakPolarHBondContact O-CB 3.33Å; F10-R14 PolarHBondContact O-N 3.42Å; S11-R14 PolarHBondContact O-N 2.74Å; H12-R14 VanDerWaalsContact C-N 3.33Å; H12-R14 PolarHBondContact O-N 3.35Å; R14-R18 WeakPolarHBondContact O-CB 3.29Å; R14-R18 WeakPolarHBondContact O-CG 3.4Å; R14-R18 PolarHBondContact O-N 3.06Å
15	E	65.1	Low	59.4	Low	124 Å²	124	86.7 Å²	86.7	58%	0.579	44%	0.435	S	S	*	.	H	α-helix	trans	-67.2	-45.3	175.8	-76.2	-175.8	160.5	0	0	111.5	S11 H12 R18 S19	S11-E15 WeakPolarHBondContact O-CB 3.48Å; S11-E15 WeakPolarHBondContact O-CG 3.19Å; S11-E15 PolarHBondContact O-N 3.39Å; H12-E15 PolarHBondContact O-N 2.87Å; E15-R18 WeakPolarHBondContact O-CB 3.45Å; E15-R18 PolarHBondContact O-N 3.11Å; E15-S19 WeakPolarHBondContact O-CB 3Å; E15-S19 PolarHBondContact O-N 3.48Å
16	S	63.1	Low	60.4	Low	57 Å²	57	85.8 Å²	85.8	40%	0.399	43%	0.427	S	S	.	.	H	α-helix	trans	-59.8	-48.8	174.9	-58.6	0	0	0	0	110.6	H12 R18 S19 Y20	H12-S16 VanDerWaalsContact O-CB 3.29Å; H12-S16 WeakPolarHBondContact O-CB 3.29Å; H12-S16 PolarHBondContact O-N 3.41Å; H12-S16 PolarHBondContact O-OG 2.81Å; S16-R18 VanDerWaalsContact C-N 3.34Å; S16-R18 PolarHBondContact O-N 2.94Å; S16-S19 WeakPolarHBondContact O-CB 3.47Å; S16-S19 PolarHBondContact O-N 2.83Å; S16-S19 VanDerWaalsContact O-N 3.12Å; S16-Y20 WeakPolarHBondContact O-CD2 3.39Å; S16-Y20 PolarHBondContact O-N 2.86Å
17	A	64.8	Low	61.3	Low	4 Å²	4	82.7 Å²	82.7	3%	0.033	42%	0.415	C	S	.	.	H	α-helix	trans	-54.8	-47.2	174	0	0	0	0	0	112.2	L13 S19 Y20 I21 I45 L64	L13-A17 WeakPolarHBondContact O-CB 3.46Å; L13-A17 PolarHBondContact O-N 3.12Å; A17-S19 VanDerWaalsContact C-N 3.33Å; A17-S19 PolarHBondContact O-N 3.38Å; A17-Y20 PolarHBondContact O-N 2.93Å; A17-I21 WeakPolarHBondContact O-CB 3.33Å; A17-I21 WeakPolarHBondContact O-CD1 3.41Å; A17-I21 WeakPolarHBondContact O-CG1 3.1Å; A17-I21 PolarHBondContact O-N 3.09Å; A17-I45 HydrophobicContact CB-CD1 3.57Å; A17-L64 HydrophobicContact CB-CD1 3.64Å; A17-L64 HydrophobicContact CB-CD2 4.34Å; A17-L64 HydrophobicContact CB-CG 4.48Å
18	R	64.6	Low	62.2	Low	126 Å²	126	80 Å²	80	48%	0.475	40%	0.4	S	S	.	.	H	α-helix	trans	-61.7	-41.5	176.7	-80.2	171.8	168.2	-168.8	-3.5	111.9	R14 E15 S16 I21 R22	R14-R18 WeakPolarHBondContact O-CB 3.29Å; R14-R18 WeakPolarHBondContact O-CG 3.4Å; R14-R18 PolarHBondContact O-N 3.06Å; E15-R18 WeakPolarHBondContact O-CB 3.45Å; E15-R18 PolarHBondContact O-N 3.11Å; S16-R18 VanDerWaalsContact C-N 3.34Å; S16-R18 PolarHBondContact O-N 2.94Å; R18-I21 PolarHBondContact O-N 2.83Å; R18-R22 WeakPolarHBondContact O-CB 3.34Å; R18-R22 VanDerWaalsContact O-CG 3.29Å; R18-R22 WeakPolarHBondContact O-CG 3.15Å; R18-R22 PolarHBondContact O-N 2.89Å
19	S	71.3	Confident	62.9	Low	55 Å²	55	80.8 Å²	80.8	39%	0.385	40%	0.399	S	S	.	.	H	α-helix	trans	-60.6	-50	176.5	-169.9	0	0	0	0	110.5	E15 S16 A17 I21 R22 Q23	E15-S19 WeakPolarHBondContact O-CB 3Å; E15-S19 PolarHBondContact O-N 3.48Å; S16-S19 WeakPolarHBondContact O-CB 3.47Å; S16-S19 PolarHBondContact O-N 2.83Å; S16-S19 VanDerWaalsContact O-N 3.12Å; A17-S19 VanDerWaalsContact C-N 3.33Å; A17-S19 PolarHBondContact O-N 3.38Å; S19-I21 VanDerWaalsContact C-N 3.34Å; S19-I21 PolarHBondContact O-N 3.22Å; S19-R22 WeakPolarHBondContact O-CB 3.19Å; S19-R22 PolarHBondContact O-N 2.89Å; S19-R22 VanDerWaalsContact O-N 3.16Å; S19-Q23 VanDerWaalsContact O-CG 3.3Å; S19-Q23 WeakPolarHBondContact O-CG 3.29Å; S19-Q23 PolarHBondContact O-N 2.93Å; S19-Q23 PolarHBondContact OG-NE2 3.49Å
20	Y	65.4	Low	63.5	Low	111 Å²	111	84.5 Å²	84.5	44%	0.435	41%	0.406	S	S	.	.	H	α-helix	trans	-61.7	-37.2	177.2	-73.5	-54.4	0	0	0	113.9	S16 A17 G24 T25 Y26	S16-Y20 WeakPolarHBondContact O-CD2 3.39Å; S16-Y20 PolarHBondContact O-N 2.86Å; A17-Y20 PolarHBondContact O-N 2.93Å; Y20-G24 PolarHBondContact O-N 2.87Å; Y20-T25 PolarHBondContact O-N 2.8Å; Y20-Y26 AromaticContact CD1-CD2 3.97Å; Y20-Y26 HydrophobicContact CD1-CD2 3.97Å; Y20-Y26 AromaticContact CD1-CE2 3.97Å; Y20-Y26 HydrophobicContact CD1-CE2 3.97Å; Y20-Y26 HydrophobicContact CE1-CE2 4.47Å; Y20-Y26 AromaticContact CG-CD2 3.86Å; Y20-Y26 HydrophobicContact CG-CD2 3.86Å; Y20-Y26 HydrophobicContact CG-CE2 4.13Å; Y20-Y26 PolarHBondContact O-N 2.81Å
21	I	63.2	Low	63.8	Low	66 Å²	66	82.5 Å²	82.5	34%	0.338	40%	0.397	S	S	.	.	H	α-helix	trans	-67.4	-44.4	173.9	-67.8	160.6	0	0	0	110.5	A17 R18 S19 Q23 G24 Y26 L28 L64	A17-I21 WeakPolarHBondContact O-CB 3.33Å; A17-I21 WeakPolarHBondContact O-CD1 3.41Å; A17-I21 WeakPolarHBondContact O-CG1 3.1Å; A17-I21 PolarHBondContact O-N 3.09Å; R18-I21 PolarHBondContact O-N 2.83Å; S19-I21 VanDerWaalsContact C-N 3.34Å; S19-I21 PolarHBondContact O-N 3.22Å; I21-Q23 VanDerWaalsContact C-N 3.31Å; I21-Q23 PolarHBondContact O-N 3.42Å; I21-G24 PolarHBondContact O-N 2.88Å; I21-Y26 WeakPolarHBondContact CA-O 3.09Å; I21-L28 HydrophobicContact CD1-CB 3.85Å; I21-L28 HydrophobicContact CD1-CD1 4.43Å; I21-L28 HydrophobicContact CD1-CG 4.5Å; I21-L64 HydrophobicContact CD1-CD2 4.07Å; I21-L64 HydrophobicContact CG1-CD2 3.95Å
22	R	69.4	Low	63.8	Low	217 Å²	217	84 Å²	84	82%	0.819	40%	0.4	S	S	*	.	H	α-helix	trans	-62.5	-37.3	177.1	-78.2	177.7	178.9	177.3	-0.8	112.4	R18 S19 G24	R18-R22 WeakPolarHBondContact O-CB 3.34Å; R18-R22 VanDerWaalsContact O-CG 3.29Å; R18-R22 WeakPolarHBondContact O-CG 3.15Å; R18-R22 PolarHBondContact O-N 2.89Å; S19-R22 WeakPolarHBondContact O-CB 3.19Å; S19-R22 PolarHBondContact O-N 2.89Å; S19-R22 VanDerWaalsContact O-N 3.16Å; R22-G24 PolarHBondContact O-N 3.49Å
23	Q	72.7	Confident	63.7	Low	123 Å²	123	88.9 Å²	88.9	58%	0.575	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-5.4	175.2	-68.5	174.1	26.3	0	0	112.8	S19 I21 T25	S19-Q23 VanDerWaalsContact O-CG 3.3Å; S19-Q23 WeakPolarHBondContact O-CG 3.29Å; S19-Q23 PolarHBondContact O-N 2.93Å; S19-Q23 PolarHBondContact OG-NE2 3.49Å; I21-Q23 VanDerWaalsContact C-N 3.31Å; I21-Q23 PolarHBondContact O-N 3.42Å; Q23-T25 PolarHBondContact O-N 3.2Å
24	G	66.3	Low	63.5	Low	42 Å²	42	93.1 Å²	93.1	43%	0.433	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	13.7	-177.1	0	0	0	0	0	113.6	Y20 I21 R22 I67	Y20-G24 PolarHBondContact O-N 2.87Å; I21-G24 PolarHBondContact O-N 2.88Å; R22-G24 PolarHBondContact O-N 3.49Å; G24-I67 VanDerWaalsContact O-CD1 3.28Å; G24-I67 WeakPolarHBondContact O-CD1 3.23Å
25	T	70.7	Confident	63	Low	43 Å²	43	89.4 Å²	89.4	26%	0.264	43%	0.426	S	S	.	.	S	Bend	trans	-86.3	-24.5	-178.5	-45.6	0	0	0	0	112	Y20 Q23 K66 I67	Y20-T25 PolarHBondContact O-N 2.8Å; Q23-T25 PolarHBondContact O-N 3.2Å; T25-K66 HydrophobicContact CG2-CG 4.32Å; T25-K66 CarbonylContact O-C 3.48Å; T25-K66 WeakPolarHBondContact O-CA 3.36Å; T25-I67 PolarHBondContact O-N 2.87Å
26	Y	62.1	Low	62.1	Low	47 Å²	47	86.5 Å²	86.5	18%	0.184	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	141.9	179	-72.6	-103.6	0	0	0	112.1	Y20 I21 L64 I65 K66	Y20-Y26 AromaticContact CD1-CD2 3.97Å; Y20-Y26 HydrophobicContact CD1-CD2 3.97Å; Y20-Y26 AromaticContact CD1-CE2 3.97Å; Y20-Y26 HydrophobicContact CD1-CE2 3.97Å; Y20-Y26 HydrophobicContact CE1-CE2 4.47Å; Y20-Y26 AromaticContact CG-CD2 3.86Å; Y20-Y26 HydrophobicContact CG-CD2 3.86Å; Y20-Y26 HydrophobicContact CG-CE2 4.13Å; Y20-Y26 PolarHBondContact O-N 2.81Å; I21-Y26 WeakPolarHBondContact CA-O 3.09Å; Y26-L64 HydrophobicContact CD1-CB 4.03Å; Y26-L64 HydrophobicContact CD1-CD2 4.47Å; Y26-L64 HydrophobicContact CG-CD2 4.36Å; Y26-I65 CarbonylContact C-O 3.47Å; Y26-I65 WeakPolarHBondContact CA-O 3.25Å; Y26-I65 VanDerWaalsContact CD1-C 3.46Å; Y26-K66 HydrophobicContact CD1-CB 4.05Å; Y26-K66 HydrophobicContact CE1-CB 3.68Å; Y26-K66 HydrophobicContact CE1-CG 4.27Å; Y26-K66 HydrophobicContact CE2-CB 4.48Å; Y26-K66 HydrophobicContact CE2-CG 4.21Å
27	A	64.3	Low	61.5	Low	28 Å²	28	92.8 Å²	92.8	23%	0.231	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	140.5	168.7	0	0	0	0	0	110.1	L64 I65 I67	A27-L64 WeakPolarHBondContact O-CA 3.38Å; A27-I65 PolarHBondContact N-O 2.77Å; A27-I65 PolarHBondContact O-N 2.99Å; A27-I67 HydrophobicContact CB-CD1 4.1Å; A27-I67 HydrophobicContact CB-CG1 4.03Å
28	L	64.6	Low	60.8	Low	66 Å²	66	100.7 Å²	100.7	35%	0.346	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	115.8	171.2	-168.2	74.2	0	0	0	109.5	I21 I45 F62 L64	I21-L28 HydrophobicContact CD1-CB 3.85Å; I21-L28 HydrophobicContact CD1-CD1 4.43Å; I21-L28 HydrophobicContact CD1-CG 4.5Å; L28-I45 HydrophobicContact CD1-CD1 4.19Å; L28-F62 HydrophobicContact CD1-CB 3.56Å; L28-F62 HydrophobicContact CD1-CD1 4.4Å; L28-F62 HydrophobicContact CD1-CG 4.21Å; L28-F62 HydrophobicContact CD2-CB 4.33Å; L28-F62 HydrophobicContact CD2-CD1 3.74Å; L28-F62 HydrophobicContact CD2-CE1 4.17Å; L28-F62 HydrophobicContact CD2-CG 4.07Å; L28-F62 HydrophobicContact CG-CB 3.87Å; L28-F62 HydrophobicContact CG-CD1 3.76Å; L28-F62 HydrophobicContact CG-CG 4.06Å; L28-L64 HydrophobicContact CD1-CD2 4.3Å; L28-L64 HydrophobicContact CD1-CG 4.14Å
29	I	62.7	Low	60.1	Low	78 Å²	78	98.1 Å²	98.1	40%	0.4	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.1	178.1	-54.6	-167.9	0	0	0	109.6	F62 K63 I65	I29-F62 CarbonylContact O-C 3.53Å; I29-F62 VanDerWaalsContact O-CA 3.26Å; I29-F62 WeakPolarHBondContact O-CA 3.35Å; I29-K63 PolarHBondContact N-O 2.85Å; I29-K63 PolarHBondContact O-N 2.69Å; I29-I65 HydrophobicContact CD1-CD1 3.49Å; I29-I65 VanDerWaalsContact CD1-CD1 3.49Å; I29-I65 HydrophobicContact CD1-CG1 4.26Å; I29-I65 HydrophobicContact CG1-CD1 4.19Å
30	R	61.1	Low	59.2	Low	176 Å²	176	105.9 Å²	105.9	66%	0.664	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	130.9	168	-170.7	-178.1	-177.4	-161.9	0.9	108.6	N60 L61 F62	R30-N60 VanDerWaalsContact CZ-OD1 3.22Å; R30-N60 PolarHBondContact NE-OD1 3.17Å; R30-N60 VanDerWaalsContact NE-OD1 3.08Å; R30-N60 PolarHBondContact NH2-OD1 2.99Å; R30-L61 WeakPolarHBondContact CA-O 3.4Å; R30-F62 HydrophobicContact CB-CD1 3.81Å; R30-F62 HydrophobicContact CB-CE1 3.65Å; R30-F62 HydrophobicContact CG-CD1 4.32Å; R30-F62 HydrophobicContact CG-CE1 3.98Å; R30-F62 HydrophobicContact CG-CZ 4.42Å
31	Y	57	Low	58.5	Low	16 Å²	16	102.6 Å²	102.6	6%	0.063	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	155.1	-179.8	72.3	-88.3	0	0	0	111.5	L36 E44 L61 K63	Y31-L36 HydrophobicContact CD2-CB 4.4Å; Y31-L36 HydrophobicContact CD2-CD1 4.45Å; Y31-L36 HydrophobicContact CD2-CG 4.18Å; Y31-L36 HydrophobicContact CE2-CB 4.11Å; Y31-L36 HydrophobicContact CE2-CD1 3.52Å; Y31-L36 HydrophobicContact CE2-CG 3.42Å; Y31-L36 VanDerWaalsContact CE2-CG 3.42Å; Y31-E44 WeakPolarHBondContact OH-CG 3.18Å; Y31-E44 PolarHBondContact OH-OE2 3.4Å; Y31-L61 HydrophobicContact CD1-CB 4.28Å; Y31-L61 WeakPolarHBondContact CD1-O 3.22Å; Y31-L61 HydrophobicContact CD2-CB 4.34Å; Y31-L61 VanDerWaalsContact CE1-C 3.48Å; Y31-L61 HydrophobicContact CE1-CB 3.69Å; Y31-L61 HydrophobicContact CE2-CB 3.73Å; Y31-L61 HydrophobicContact CE2-CD1 3.92Å; Y31-L61 HydrophobicContact CE2-CG 4.47Å; Y31-L61 VanDerWaalsContact CZ-CB 3.43Å; Y31-L61 PolarHBondContact N-O 3Å; Y31-K63 HydrophobicContact CD1-CB 3.83Å; Y31-K63 HydrophobicContact CD1-CD 3.58Å; Y31-K63 HydrophobicContact CD1-CG 3.58Å; Y31-K63 HydrophobicContact CD2-CD 4.3Å; Y31-K63 HydrophobicContact CE1-CB 3.96Å; Y31-K63 HydrophobicContact CE1-CD 3.66Å; Y31-K63 HydrophobicContact CE1-CG 3.36Å; Y31-K63 HydrophobicContact CE2-CD 4.4Å; Y31-K63 HydrophobicContact CG-CD 3.91Å; Y31-K63 HydrophobicContact CG-CG 4.42Å
32	N	55.5	Low	57.9	Low	91 Å²	91	106 Å²	106	49%	0.487	50%	0.5	S	S	.	.			trans	-100.3	167	175.3	65.5	20.7	0	0	0	110.5	I34 T35 L36	N32-I34 PolarHBondContact O-N 3.33Å; N32-I34 WeakPolarHBondContact OD1-CB 3.26Å; N32-I34 PolarHBondContact OD1-N 3.4Å; N32-T35 WeakPolarHBondContact O-CB 3.44Å; N32-T35 PolarHBondContact O-N 3.05Å; N32-T35 PolarHBondContact OD1-N 2.82Å; N32-T35 PolarHBondContact OD1-OG1 3.33Å; N32-L36 PolarHBondContact O-N 3.33Å
33	R	54.1	Low	57.2	Low	220 Å²	220	98.3 Å²	98.3	83%	0.83	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-28.3	-179.3	-168.8	172.5	175.8	160.5	-2	113.5	L36	R33-L36 WeakPolarHBondContact O-CB 3.47Å; R33-L36 PolarHBondContact O-N 2.84Å
34	I	52.4	Low	56.5	Low	144 Å²	144	95.8 Å²	95.8	74%	0.738	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-33.4	177.9	-56.6	172.5	0	0	0	111.5	N32 L36	N32-I34 PolarHBondContact O-N 3.33Å; N32-I34 WeakPolarHBondContact OD1-CB 3.26Å; N32-I34 PolarHBondContact OD1-N 3.4Å; I34-L36 VanDerWaalsContact C-N 3.28Å; I34-L36 PolarHBondContact O-N 3.19Å
35	T	52.7	Low	56.1	Low	44 Å²	44	94.3 Å²	94.3	27%	0.27	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-15.6	-179	-42.7	0	0	0	0	112.2	N32 Q37 K38 Y39	N32-T35 WeakPolarHBondContact O-CB 3.44Å; N32-T35 PolarHBondContact O-N 3.05Å; N32-T35 PolarHBondContact OD1-N 2.82Å; N32-T35 PolarHBondContact OD1-OG1 3.33Å; T35-Q37 PolarHBondContact O-N 3.31Å; T35-K38 PolarHBondContact O-N 2.58Å; T35-Y39 HydrophobicContact CG2-CD2 3.77Å; T35-Y39 HydrophobicContact CG2-CE2 3.48Å; T35-Y39 VanDerWaalsContact CG2-CE2 3.48Å; T35-Y39 WeakPolarHBondContact O-CD2 3.5Å
36	L	47.1	Very low	55.6	Low	63 Å²	63	97 Å²	97	33%	0.33	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-38.8	-170	-138	154.4	0	0	0	112.5	Y31 N32 R33 I34 L61 K63	Y31-L36 HydrophobicContact CD2-CB 4.4Å; Y31-L36 HydrophobicContact CD2-CD1 4.45Å; Y31-L36 HydrophobicContact CD2-CG 4.18Å; Y31-L36 HydrophobicContact CE2-CB 4.11Å; Y31-L36 HydrophobicContact CE2-CD1 3.52Å; Y31-L36 HydrophobicContact CE2-CG 3.42Å; Y31-L36 VanDerWaalsContact CE2-CG 3.42Å; N32-L36 PolarHBondContact O-N 3.33Å; R33-L36 WeakPolarHBondContact O-CB 3.47Å; R33-L36 PolarHBondContact O-N 2.84Å; I34-L36 VanDerWaalsContact C-N 3.28Å; I34-L36 PolarHBondContact O-N 3.19Å; L36-L61 HydrophobicContact CD1-CD1 4.14Å; L36-K63 PolarHBondContact O-NZ 3.25Å
37	Q	50.5	Low	55.4	Low	188 Å²	188	97.3 Å²	97.3	88%	0.879	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-22.8	-176.8	-69.8	-177.6	-20.4	0	0	114.4	T35	T35-Q37 PolarHBondContact O-N 3.31Å
38	K	49.2	Very low	55.1	Low	170 Å²	170	99.1 Å²	99.1	74%	0.739	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-20.5	-171.8	-78.3	-170.9	174.8	-175.4	0	114.9	T35	T35-K38 PolarHBondContact O-N 2.58Å
39	Y	49.5	Very low	55	Low	73 Å²	73	98.2 Å²	98.2	29%	0.286	46%	0.464	S	S	.	.			trans	-119.2	113.4	-174.1	-59	-88.1	0	0	0	110.3	T35 C41 K63	T35-Y39 HydrophobicContact CG2-CD2 3.77Å; T35-Y39 HydrophobicContact CG2-CE2 3.48Å; T35-Y39 VanDerWaalsContact CG2-CE2 3.48Å; T35-Y39 WeakPolarHBondContact O-CD2 3.5Å; Y39-C41 VanDerWaalsContact CB-SG 3.59Å; Y39-C41 PolarHBondContact O-N 3.13Å; Y39-C41 PolarHBondContact O-SG 2.91Å; Y39-C41 VanDerWaalsContact O-SG 3.33Å; Y39-K63 PolarHBondContact O-NZ 2.77Å
40	K	52.9	Low	54.8	Low	218 Å²	218	100.6 Å²	100.6	95%	0.948	47%	0.472	S	S	*	.			trans	-58.4	124.2	157.3	-73.7	-174.1	178.7	-178.4	0	106.4
41	C	50.5	Low	54.4	Low	42 Å²	42	93.9 Å²	93.9	28%	0.284	45%	0.452	S	S	.	.			trans	-130.2	138.3	180	-62.5	0	0	0	0	109	Y39 L43 K63	Y39-C41 VanDerWaalsContact CB-SG 3.59Å; Y39-C41 PolarHBondContact O-N 3.13Å; Y39-C41 PolarHBondContact O-SG 2.91Å; Y39-C41 VanDerWaalsContact O-SG 3.33Å; C41-L43 VanDerWaalsContact C-N 3.29Å; C41-K63 HydrophobicContact CB-CD 4.19Å; C41-K63 HydrophobicContact CB-CG 3.87Å; C41-K63 WeakPolarHBondContact SG-CD 3.37Å; C41-K63 WeakPolarHBondContact SG-CE 3.13Å; C41-K63 WeakPolarHBondContact SG-CG 3.3Å; C41-K63 PolarHBondContact SG-NZ 3.08Å; C41-K63 VanDerWaalsContact SG-NZ 3.4Å
42	D	51.3	Low	54.8	Low	136 Å²	136	98.8 Å²	98.8	73%	0.727	49%	0.488	S	S	*	.	S	Bend	trans	-70.9	-30	-179.9	-55.3	-42.6	0	0	0	111.2
43	L	53.8	Low	55.7	Low	56 Å²	56	102.2 Å²	102.2	29%	0.293	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	125.2	-179.2	-170	59	0	0	0	112.9	L13 C41 I45 L64	L13-L43 HydrophobicContact CD2-CD1 4.16Å; L13-L43 HydrophobicContact CD2-CD2 4.15Å; C41-L43 VanDerWaalsContact C-N 3.29Å; L43-I45 HydrophobicContact CG-CG1 4.41Å; L43-L64 HydrophobicContact CB-CD1 4.32Å; L43-L64 HydrophobicContact CD2-CD1 3.67Å; L43-L64 HydrophobicContact CG-CD1 4.24Å; L43-L64 PolarHBondContact O-N 2.97Å
44	E	57.3	Low	56.7	Low	71 Å²	71	95.9 Å²	95.9	33%	0.332	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	124.2	170.2	173	169.2	121.9	0	0	109.7	Y31 K46	Y31-E44 WeakPolarHBondContact OH-CG 3.18Å; Y31-E44 PolarHBondContact OH-OE2 3.4Å; E44-K46 HydrophobicContact CG-CG 4.46Å; E44-K46 WeakPolarHBondContact OE1-CE 3.11Å; E44-K46 IonicContact OE1-NZ 3.64Å
45	I	59.4	Low	57.3	Low	10 Å²	10	94.2 Å²	94.2	5%	0.051	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.2	174.6	-58.3	177.5	0	0	0	109	A17 L28 L43 M47 F62 L64	A17-I45 HydrophobicContact CB-CD1 3.57Å; L28-I45 HydrophobicContact CD1-CD1 4.19Å; L43-I45 HydrophobicContact CG-CG1 4.41Å; I45-M47 HydrophobicContact CG2-CE 3.85Å; I45-M47 HydrophobicContact CG2-CG 3.89Å; I45-F62 HydrophobicContact CB-CB 4.41Å; I45-F62 PolarHBondContact N-O 2.95Å; I45-F62 PolarHBondContact O-N 3.19Å; I45-L64 HydrophobicContact CD1-CD1 3.47Å; I45-L64 VanDerWaalsContact CD1-CD1 3.47Å; I45-L64 HydrophobicContact CD1-CG 4.01Å; I45-L64 HydrophobicContact CG1-CD1 4.22Å
46	K	58.8	Low	57.9	Low	100 Å²	100	94.2 Å²	94.2	44%	0.435	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	113.1	170.2	-55	-168.5	177.2	169.8	0	109.5	F10 E44 L61	F10-K46 HydrophobicContact CE1-CB 4.22Å; F10-K46 WeakPolarHBondContact CE1-O 3.49Å; F10-K46 HydrophobicContact CZ-CB 4.42Å; E44-K46 HydrophobicContact CG-CG 4.46Å; E44-K46 WeakPolarHBondContact OE1-CE 3.11Å; E44-K46 IonicContact OE1-NZ 3.64Å; K46-L61 HydrophobicContact CB-CD2 4.15Å; K46-L61 HydrophobicContact CD-CD2 4.05Å; K46-L61 HydrophobicContact CG-CD2 3.59Å
47	M	59.6	Low	58.3	Low	53 Å²	53	96.2 Å²	96.2	26%	0.261	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.4	171.9	-63.5	-165.6	-179.9	0	0	109.9	I45 N60 F62	I45-M47 HydrophobicContact CG2-CE 3.85Å; I45-M47 HydrophobicContact CG2-CG 3.89Å; M47-N60 PolarHBondContact N-O 3.04Å; M47-N60 PolarHBondContact O-N 3.48Å; M47-F62 HydrophobicContact CB-CD2 4.16Å; M47-F62 HydrophobicContact CB-CE2 3.93Å; M47-F62 HydrophobicContact CG-CD2 3.86Å; M47-F62 HydrophobicContact CG-CE2 3.93Å; M47-F62 HydrophobicContact SD-CD2 4.01Å; M47-F62 HydrophobicContact SD-CE2 3.76Å
48	V	58.2	Low	58.6	Low	66 Å²	66	89.9 Å²	89.9	40%	0.4	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.5	170.1	-170.9	0	0	0	0	107.6	L57 F59	V48-L57 HydrophobicContact CG1-CB 4.02Å; V48-L57 HydrophobicContact CG1-CD1 4.34Å; V48-L57 HydrophobicContact CG1-CD2 3.85Å; V48-L57 HydrophobicContact CG1-CG 4.29Å; V48-F59 HydrophobicContact CG1-CE1 4.29Å; V48-F59 HydrophobicContact CG1-CZ 4.47Å; V48-F59 HydrophobicContact CG2-CD1 3.73Å; V48-F59 HydrophobicContact CG2-CE1 3.56Å; V48-F59 HydrophobicContact CG2-CZ 4.46Å
49	S	60.5	Low	59	Low	48 Å²	48	88.2 Å²	88.2	34%	0.336	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	129	172	54.8	0	0	0	0	109.6	S58 N60	S49-S58 PolarHBondContact N-O 3.49Å; S49-S58 PolarHBondContact O-N 3.43Å; S49-S58 WeakPolarHBondContact OG-CB 2.95Å; S49-S58 PolarHBondContact OG-O 3.48Å; S49-N60 PolarHBondContact OG-ND2 2.88Å; S49-N60 VanDerWaalsContact OG-ND2 3.17Å
50	K	59.4	Low	59.5	Low	127 Å²	127	86 Å²	86	55%	0.552	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	128	171.2	-157.1	-176.1	-159.8	-156.4	0	108.8	S52 D55 L57	K50-S52 PolarHBondContact O-N 2.63Å; K50-D55 WeakPolarHBondContact CE-OD1 3.44Å; K50-D55 WeakPolarHBondContact CE-OD2 3.36Å; K50-D55 IonicContact NZ-OD1 2.74Å; K50-D55 PolarHBondContact NZ-OD1 3.37Å; K50-D55 IonicContact NZ-OD2 2.63Å; K50-D55 PolarHBondContact NZ-OD2 2.82Å; K50-L57 HydrophobicContact CB-CD2 4.32Å; K50-L57 HydrophobicContact CG-CD2 4.18Å
51	C	53.3	Low	59.9	Low	36 Å²	36	77.4 Å²	77.4	24%	0.243	43%	0.425	C	S	.	.			trans	-70.2	127.7	170.2	-178.9	0	0	0	0	109.1	L53 D55 C56	C51-L53 PolarHBondContact O-N 2.6Å; C51-L53 PolarHBondContact SG-N 2.83Å; C51-L53 VanDerWaalsContact SG-N 3.44Å; C51-D55 PolarHBondContact O-N 2.86Å; C51-C56 HydrophobicContact CB-CB 4.47Å; C51-C56 WeakPolarHBondContact CB-O 3.44Å; C51-C56 WeakPolarHBondContact CB-SG 3.45Å; C51-C56 PolarHBondContact N-O 2.82Å; C51-C56 VanDerWaalsContact SG-SG 3.64Å
52	S	65.2	Low	60.5	Low	118 Å²	118	77.1 Å²	77.1	83%	0.825	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-15.5	177.5	51.5	0	0	0	0	113.7	K50	K50-S52 PolarHBondContact O-N 2.63Å
53	L	73.1	Confident	61.1	Low	163 Å²	163	71.1 Å²	71.1	85%	0.853	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-32.7	-173.1	-62.6	172.2	0	0	0	114.1	C51	C51-L53 PolarHBondContact O-N 2.6Å; C51-L53 PolarHBondContact SG-N 2.83Å; C51-L53 VanDerWaalsContact SG-N 3.44Å
54	C	75.9	Confident	61.5	Low	88 Å²	88	68.7 Å²	68.7	60%	0.595	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.3	10.2	-178.7	55.9	0	0	0	0	115.7	C56	C54-C56 HydrophobicContact CB-CB 4.16Å; C54-C56 WeakPolarHBondContact CB-SG 3.45Å; C54-C56 PolarHBondContact O-N 3.36Å; C54-C56 WeakPolarHBondContact SG-CB 2.82Å; C54-C56 CovalentContact SG-SG 2.07Å; C54-C56 PolarHBondContact SG-SG 3.44Å
55	D	65.1	Low	61.7	Low	108 Å²	108	67.1 Å²	67.1	58%	0.578	37%	0.368	S	S	*	.			trans	54.6	10.9	-174.1	-119.4	29.7	0	0	0	114.6	K50 C51	K50-D55 WeakPolarHBondContact CE-OD1 3.44Å; K50-D55 WeakPolarHBondContact CE-OD2 3.36Å; K50-D55 IonicContact NZ-OD1 2.74Å; K50-D55 PolarHBondContact NZ-OD1 3.37Å; K50-D55 IonicContact NZ-OD2 2.63Å; K50-D55 PolarHBondContact NZ-OD2 2.82Å; C51-D55 PolarHBondContact O-N 2.86Å
56	C	64.7	Low	61.9	Low	45 Å²	45	70.9 Å²	70.9	30%	0.304	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-79.3	137.6	-175.7	50.2	0	0	0	0	109.8	C51 C54	C51-C56 HydrophobicContact CB-CB 4.47Å; C51-C56 WeakPolarHBondContact CB-O 3.44Å; C51-C56 WeakPolarHBondContact CB-SG 3.45Å; C51-C56 PolarHBondContact N-O 2.82Å; C51-C56 VanDerWaalsContact SG-SG 3.64Å; C54-C56 HydrophobicContact CB-CB 4.16Å; C54-C56 WeakPolarHBondContact CB-SG 3.45Å; C54-C56 PolarHBondContact O-N 3.36Å; C54-C56 WeakPolarHBondContact SG-CB 2.82Å; C54-C56 CovalentContact SG-SG 2.07Å; C54-C56 PolarHBondContact SG-SG 3.44Å
57	L	56.4	Low	62	Low	105 Å²	105	70.1 Å²	70.1	55%	0.55	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	118.4	178.5	-62.7	176.9	0	0	0	110	V48 K50 F59	V48-L57 HydrophobicContact CG1-CB 4.02Å; V48-L57 HydrophobicContact CG1-CD1 4.34Å; V48-L57 HydrophobicContact CG1-CD2 3.85Å; V48-L57 HydrophobicContact CG1-CG 4.29Å; K50-L57 HydrophobicContact CB-CD2 4.32Å; K50-L57 HydrophobicContact CG-CD2 4.18Å; L57-F59 HydrophobicContact CB-CE2 4.14Å
58	S	55.9	Low	61.8	Low	55 Å²	55	70.2 Å²	70.2	39%	0.385	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	120.9	170	-69.2	0	0	0	0	109.9	S49	S49-S58 PolarHBondContact N-O 3.49Å; S49-S58 PolarHBondContact O-N 3.43Å; S49-S58 WeakPolarHBondContact OG-CB 2.95Å; S49-S58 PolarHBondContact OG-O 3.48Å
59	F	58.9	Low	61.6	Low	134 Å²	134	71.5 Å²	71.5	59%	0.588	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	110.6	173.3	-66.5	-92.2	0	0	0	109	V48 L57	V48-F59 HydrophobicContact CG1-CE1 4.29Å; V48-F59 HydrophobicContact CG1-CZ 4.47Å; V48-F59 HydrophobicContact CG2-CD1 3.73Å; V48-F59 HydrophobicContact CG2-CE1 3.56Å; V48-F59 HydrophobicContact CG2-CZ 4.46Å; L57-F59 HydrophobicContact CB-CE2 4.14Å
60	N	59.6	Low	61	Low	28 Å²	28	73.3 Å²	73.3	15%	0.15	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	117.7	172.2	-68.9	-61.5	0	0	0	108.8	R30 M47 S49 F62	R30-N60 VanDerWaalsContact CZ-OD1 3.22Å; R30-N60 PolarHBondContact NE-OD1 3.17Å; R30-N60 VanDerWaalsContact NE-OD1 3.08Å; R30-N60 PolarHBondContact NH2-OD1 2.99Å; M47-N60 PolarHBondContact N-O 3.04Å; M47-N60 PolarHBondContact O-N 3.48Å; S49-N60 PolarHBondContact OG-ND2 2.88Å; S49-N60 VanDerWaalsContact OG-ND2 3.17Å; N60-F62 HydrophobicContact CB-CD2 4.17Å; N60-F62 HydrophobicContact CB-CE2 3.38Å; N60-F62 HydrophobicContact CB-CZ 3.87Å
61	L	61.8	Low	60.2	Low	37 Å²	37	75.5 Å²	75.5	19%	0.194	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	128.9	175	-61.6	178	0	0	0	109.3	R30 Y31 L36 K46	R30-L61 WeakPolarHBondContact CA-O 3.4Å; Y31-L61 HydrophobicContact CD1-CB 4.28Å; Y31-L61 WeakPolarHBondContact CD1-O 3.22Å; Y31-L61 HydrophobicContact CD2-CB 4.34Å; Y31-L61 VanDerWaalsContact CE1-C 3.48Å; Y31-L61 HydrophobicContact CE1-CB 3.69Å; Y31-L61 HydrophobicContact CE2-CB 3.73Å; Y31-L61 HydrophobicContact CE2-CD1 3.92Å; Y31-L61 HydrophobicContact CE2-CG 4.47Å; Y31-L61 VanDerWaalsContact CZ-CB 3.43Å; Y31-L61 PolarHBondContact N-O 3Å; L36-L61 HydrophobicContact CD1-CD1 4.14Å; K46-L61 HydrophobicContact CB-CD2 4.15Å; K46-L61 HydrophobicContact CD-CD2 4.05Å; K46-L61 HydrophobicContact CG-CD2 3.59Å
62	F	62.3	Low	59.5	Low	36 Å²	36	81.8 Å²	81.8	16%	0.158	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	137.4	178.7	-61.5	-90.2	0	0	0	111.5	L28 I29 R30 I45 M47 N60	L28-F62 HydrophobicContact CD1-CB 3.56Å; L28-F62 HydrophobicContact CD1-CD1 4.4Å; L28-F62 HydrophobicContact CD1-CG 4.21Å; L28-F62 HydrophobicContact CD2-CB 4.33Å; L28-F62 HydrophobicContact CD2-CD1 3.74Å; L28-F62 HydrophobicContact CD2-CE1 4.17Å; L28-F62 HydrophobicContact CD2-CG 4.07Å; L28-F62 HydrophobicContact CG-CB 3.87Å; L28-F62 HydrophobicContact CG-CD1 3.76Å; L28-F62 HydrophobicContact CG-CG 4.06Å; I29-F62 CarbonylContact O-C 3.53Å; I29-F62 VanDerWaalsContact O-CA 3.26Å; I29-F62 WeakPolarHBondContact O-CA 3.35Å; R30-F62 HydrophobicContact CB-CD1 3.81Å; R30-F62 HydrophobicContact CB-CE1 3.65Å; R30-F62 HydrophobicContact CG-CD1 4.32Å; R30-F62 HydrophobicContact CG-CE1 3.98Å; R30-F62 HydrophobicContact CG-CZ 4.42Å; I45-F62 HydrophobicContact CB-CB 4.41Å; I45-F62 PolarHBondContact N-O 2.95Å; I45-F62 PolarHBondContact O-N 3.19Å; M47-F62 HydrophobicContact CB-CD2 4.16Å; M47-F62 HydrophobicContact CB-CE2 3.93Å; M47-F62 HydrophobicContact CG-CD2 3.86Å; M47-F62 HydrophobicContact CG-CE2 3.93Å; M47-F62 HydrophobicContact SD-CD2 4.01Å; M47-F62 HydrophobicContact SD-CE2 3.76Å; N60-F62 HydrophobicContact CB-CD2 4.17Å; N60-F62 HydrophobicContact CB-CE2 3.38Å; N60-F62 HydrophobicContact CB-CZ 3.87Å
63	K	63.7	Low	58.4	Low	10 Å²	10	80.6 Å²	80.6	4%	0.043	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.7	173.7	-90.9	160.4	173	-147.6	0	108	I29 Y31 L36 Y39 C41	I29-K63 PolarHBondContact N-O 2.85Å; I29-K63 PolarHBondContact O-N 2.69Å; Y31-K63 HydrophobicContact CD1-CB 3.83Å; Y31-K63 HydrophobicContact CD1-CD 3.58Å; Y31-K63 HydrophobicContact CD1-CG 3.58Å; Y31-K63 HydrophobicContact CD2-CD 4.3Å; Y31-K63 HydrophobicContact CE1-CB 3.96Å; Y31-K63 HydrophobicContact CE1-CD 3.66Å; Y31-K63 HydrophobicContact CE1-CG 3.36Å; Y31-K63 HydrophobicContact CE2-CD 4.4Å; Y31-K63 HydrophobicContact CG-CD 3.91Å; Y31-K63 HydrophobicContact CG-CG 4.42Å; L36-K63 PolarHBondContact O-NZ 3.25Å; Y39-K63 PolarHBondContact O-NZ 2.77Å; C41-K63 HydrophobicContact CB-CD 4.19Å; C41-K63 HydrophobicContact CB-CG 3.87Å; C41-K63 WeakPolarHBondContact SG-CD 3.37Å; C41-K63 WeakPolarHBondContact SG-CE 3.13Å; C41-K63 WeakPolarHBondContact SG-CG 3.3Å; C41-K63 PolarHBondContact SG-NZ 3.08Å; C41-K63 VanDerWaalsContact SG-NZ 3.4Å
64	L	61.8	Low	56.6	Low	5 Å²	5	79.7 Å²	79.7	3%	0.026	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.6	164.6	-83.5	156.8	0	0	0	108.4	A17 I21 Y26 A27 L28 L43 I45	A17-L64 HydrophobicContact CB-CD1 3.64Å; A17-L64 HydrophobicContact CB-CD2 4.34Å; A17-L64 HydrophobicContact CB-CG 4.48Å; I21-L64 HydrophobicContact CD1-CD2 4.07Å; I21-L64 HydrophobicContact CG1-CD2 3.95Å; Y26-L64 HydrophobicContact CD1-CB 4.03Å; Y26-L64 HydrophobicContact CD1-CD2 4.47Å; Y26-L64 HydrophobicContact CG-CD2 4.36Å; A27-L64 WeakPolarHBondContact O-CA 3.38Å; L28-L64 HydrophobicContact CD1-CD2 4.3Å; L28-L64 HydrophobicContact CD1-CG 4.14Å; L43-L64 HydrophobicContact CB-CD1 4.32Å; L43-L64 HydrophobicContact CD2-CD1 3.67Å; L43-L64 HydrophobicContact CG-CD1 4.24Å; L43-L64 PolarHBondContact O-N 2.97Å; I45-L64 HydrophobicContact CD1-CD1 3.47Å; I45-L64 VanDerWaalsContact CD1-CD1 3.47Å; I45-L64 HydrophobicContact CD1-CG 4.01Å; I45-L64 HydrophobicContact CG1-CD1 4.22Å
65	I	62.4	Low	54.8	Low	38 Å²	38	82.5 Å²	82.5	20%	0.195	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.3	176.4	-54.7	-170.5	0	0	0	108.2	Y26 A27 I29 I67 M70	Y26-I65 CarbonylContact C-O 3.47Å; Y26-I65 WeakPolarHBondContact CA-O 3.25Å; Y26-I65 VanDerWaalsContact CD1-C 3.46Å; A27-I65 PolarHBondContact N-O 2.77Å; A27-I65 PolarHBondContact O-N 2.99Å; I29-I65 HydrophobicContact CD1-CD1 3.49Å; I29-I65 VanDerWaalsContact CD1-CD1 3.49Å; I29-I65 HydrophobicContact CD1-CG1 4.26Å; I29-I65 HydrophobicContact CG1-CD1 4.19Å; I65-I67 PolarHBondContact O-N 2.8Å; I65-M70 HydrophobicContact CG2-CG 4.41Å
66	K	64.4	Low	53.6	Low	89 Å²	89	85 Å²	85	39%	0.387	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	125.2	177.4	-167.4	176.2	178.5	-178.8	0	110.5	T25 Y26 G68 T69	T25-K66 HydrophobicContact CG2-CG 4.32Å; T25-K66 CarbonylContact O-C 3.48Å; T25-K66 WeakPolarHBondContact O-CA 3.36Å; Y26-K66 HydrophobicContact CD1-CB 4.05Å; Y26-K66 HydrophobicContact CE1-CB 3.68Å; Y26-K66 HydrophobicContact CE1-CG 4.27Å; Y26-K66 HydrophobicContact CE2-CB 4.48Å; Y26-K66 HydrophobicContact CE2-CG 4.21Å; K66-G68 PolarHBondContact O-N 3.3Å; K66-T69 HydrophobicContact CB-CG2 4.37Å; K66-T69 HydrophobicContact CD-CG2 4.35Å; K66-T69 PolarHBondContact O-N 2.83Å; K66-T69 PolarHBondContact O-OG1 3.5Å
67	I	59.3	Low	52.1	Low	83 Å²	83	89.7 Å²	89.7	43%	0.426	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	111.3	172.3	-61.4	168.5	0	0	0	106.1	G24 T25 A27 I65	G24-I67 VanDerWaalsContact O-CD1 3.28Å; G24-I67 WeakPolarHBondContact O-CD1 3.23Å; T25-I67 PolarHBondContact O-N 2.87Å; A27-I67 HydrophobicContact CB-CD1 4.1Å; A27-I67 HydrophobicContact CB-CG1 4.03Å; I65-I67 PolarHBondContact O-N 2.8Å
68	G	56.9	Low	51.2	Low	55 Å²	55	90.3 Å²	90.3	57%	0.567	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	127	-27.8	-171.6	0	0	0	0	0	114	K66	K66-G68 PolarHBondContact O-N 3.3Å
69	T	54	Low	50.1	Low	93 Å²	93	96.1 Å²	96.1	57%	0.571	49%	0.489	S	S	*	.	S	Bend	trans	-86.6	4.6	162.8	58.5	0	0	0	0	111.7	K66 E71	K66-T69 HydrophobicContact CB-CG2 4.37Å; K66-T69 HydrophobicContact CD-CG2 4.35Å; K66-T69 PolarHBondContact O-N 2.83Å; K66-T69 PolarHBondContact O-OG1 3.5Å; T69-E71 PolarHBondContact O-N 2.92Å; T69-E71 VanDerWaalsContact O-N 3.14Å
70	M	47.2	Very low	48.9	Very low	87 Å²	87	99.4 Å²	99.4	43%	0.429	50%	0.503	S	S	.	.			trans	-76	16.3	177.6	-73.9	-168.5	65.6	0	0	113.3	I65 H72	I65-M70 HydrophobicContact CG2-CG 4.41Å; M70-H72 PolarHBondContact O-N 2.78Å
71	E	42.3	Very low	47.7	Very low	172 Å²	172	106.8 Å²	106.8	80%	0.804	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	3.9	-179.1	-85	-166.9	132.1	0	0	115.8	T69	T69-E71 PolarHBondContact O-N 2.92Å; T69-E71 VanDerWaalsContact O-N 3.14Å
72	H	38.4	Very low	46.4	Very low	169 Å²	169	110.1 Å²	110.1	78%	0.782	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.8	16	-179.6	-95.1	105.9	0	0	0	118	M70	M70-H72 PolarHBondContact O-N 2.78Å
73	H	41.7	Very low	45.2	Very low	92 Å²	92	116.1 Å²	116.1	43%	0.426	59%	0.593	S	S	.	*			trans	-127.3	18.5	-168.9	-65.5	-91.7	0	0	0	117	N75 Y76	H73-N75 PolarHBondContact O-N 2.63Å; H73-Y76 PolarHBondContact O-N 2.74Å
74	N	36.5	Very low	43.7	Very low	144 Å²	144	126.1 Å²	126.1	77%	0.77	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-3.8	169.3	-90	-19.4	0	0	0	114.7
75	N	38.3	Very low	42.8	Very low	148 Å²	148	132.2 Å²	132.2	79%	0.791	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	5.6	177.1	-78.8	-9.2	0	0	0	115.2	H73	H73-N75 PolarHBondContact O-N 2.63Å
76	Y	39.7	Very low	41.8	Very low	161 Å²	161	137.1 Å²	137.1	63%	0.631	70%	0.703	S	S	*	*			trans	-125	11.5	-173.7	-75.3	-74.9	0	0	0	116.1	H73 P78	H73-Y76 PolarHBondContact O-N 2.74Å; Y76-P78 VanDerWaalsContact O-CD 3.29Å; Y76-P78 WeakPolarHBondContact O-CD 3.09Å
77	L	33.6	Very low	40.5	Very low	143 Å²	143	139.8 Å²	139.8	75%	0.749	72%	0.721	S	S	*	*	S	Bend	trans	-68.6	115.1	151.3	-77.4	165.5	0	0	0	105.7	H79	L77-H79 PolarHBondContact O-N 2.83Å
78	P	37.3	Very low	39.4	Very low	117 Å²	117	143.1 Å²	143.1	76%	0.76	74%	0.738	S	S	*	*			trans	-55.5	119	173.6	23.3	-30.4	0	0	0	105.4	Y76 K80	Y76-P78 VanDerWaalsContact O-CD 3.29Å; Y76-P78 WeakPolarHBondContact O-CD 3.09Å; P78-K80 PolarHBondContact O-N 3.44Å
79	H	33	Very low	38.3	Very low	178 Å²	178	148.6 Å²	148.6	82%	0.824	75%	0.749	S	S	*	*			trans	-27.6	109.3	174.3	-93.1	-104.9	0	0	0	108.2	L77 K81	L77-H79 PolarHBondContact O-N 2.83Å; H79-K81 PolarHBondContact O-N 3.23Å
80	K	33.5	Very low	37.3	Very low	203 Å²	203	152.3 Å²	152.3	88%	0.883	76%	0.761	S	S	*	*			trans	-50.6	107.1	149.9	-88.2	-173.4	173.9	-177	0	102.9	P78 S82	P78-K80 PolarHBondContact O-N 3.44Å; K80-S82 PolarHBondContact O-N 2.07Å; K80-S82 VanDerWaalsContact O-N 3.11Å
81	K	33.9	Very low	36.6	Very low	183 Å²	183	157 Å²	157	80%	0.796	79%	0.785	S	S	*	*			trans	-40	123.7	170.4	-92.4	178.1	168.4	-178.9	0	106.4	H79 L83	H79-K81 PolarHBondContact O-N 3.23Å; K81-L83 PolarHBondContact O-N 3.26Å
82	S	35.1	Very low	36.1	Very low	107 Å²	107	155.8 Å²	155.8	75%	0.748	78%	0.783	S	S	*	*			trans	-48.8	109.9	161.1	-141.7	0	0	0	0	106.2	K80	K80-S82 PolarHBondContact O-N 2.07Å; K80-S82 VanDerWaalsContact O-N 3.11Å
83	L	36.2	Very low	35.9	Very low	161 Å²	161	154.8 Å²	154.8	84%	0.843	78%	0.783	S	S	*	*			trans	-109.4	93.5	161.8	-101.5	152.7	0	0	0	103	K81	K81-L83 PolarHBondContact O-N 3.26Å
84	N	32.4	Very low	35.4	Very low	220 Å²	220	160.5 Å²	160.5	100%	1.176	82%	0.816	S	S	*	*			trans	64.9	0	-174.1	-69.9	-10.8	0	0	0	115.6

Retrieved 84 of 84 residues in 57.9 ms (Link to these results)

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