G4VF79_SCHMA Loading...

Phosphoserine phosphatase

AlphaFold DB , UniProt , Accession G4VF79, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 102 aa.

						>G4VF79_SCHMA|G4VF79
MILTPKQVWWSSLSTYVGLDHNAPTSRSDGKALIVNELLNKLHTPVMMIGDGMTDAKACPPASVFIGFGVNVIRPKVKAISDYFCTSVEELINLLKNHKMLL
					

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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	M	69.5	Low	75.3	Confident	155 Å²	155	100.4 Å²	100.4	76%	0.764	49%	0.49	S	S	*	.				0	133.9	0	-177.4	167.7	86.1	0	0	108.3	L3 I34 L38	M1-L3 HydrophobicContact CE-CD2 3.2Å; M1-L3 HydrophobicContact CG-CD2 4.33Å; M1-I34 HydrophobicContact CE-CG2 3.31Å; M1-L38 HydrophobicContact CE-CD1 3.26Å; M1-L38 HydrophobicContact CE-CD2 3.81Å; M1-L38 HydrophobicContact CE-CG 3.68Å; M1-L38 HydrophobicContact SD-CD1 4.16Å; M1-L38 HydrophobicContact SD-CD2 4Å; M1-L38 HydrophobicContact SD-CG 4.49Å
2	I	76.9	Confident	76.7	Confident	142 Å²	142	102.5 Å²	102.5	73%	0.728	52%	0.522	S	S	*	.			trans	-86	119.9	174.5	-59	178	0	0	0	108.1	T4	I2-T4 HydrophobicContact CG2-CG2 3.57Å; I2-T4 WeakPolarHBondContact CG2-OG1 3.35Å; I2-T4 PolarHBondContact O-N 3.34Å; I2-T4 VanDerWaalsContact O-N 3.16Å
3	L	73.6	Confident	78.1	Confident	19 Å²	19	105.7 Å²	105.7	10%	0.099	54%	0.54	C	S	.	.			trans	-85.5	77	-178.9	-56.9	-172.3	0	0	0	111	M1 K31 I34 V35 M48	M1-L3 HydrophobicContact CE-CD2 3.2Å; M1-L3 HydrophobicContact CG-CD2 4.33Å; L3-K31 HydrophobicContact CB-CG 4.23Å; L3-K31 HydrophobicContact CD1-CB 3.81Å; L3-K31 HydrophobicContact CD1-CD 4.45Å; L3-K31 HydrophobicContact CD1-CG 3.94Å; L3-I34 HydrophobicContact CD2-CB 4.16Å; L3-I34 HydrophobicContact CD2-CD1 4.43Å; L3-I34 HydrophobicContact CD2-CG2 3.49Å; L3-I34 VanDerWaalsContact CD2-CG2 3.49Å; L3-V35 HydrophobicContact CD1-CG2 4.13Å; L3-M48 HydrophobicContact CD1-CE 3.94Å; L3-M48 HydrophobicContact CD1-SD 4.09Å
4	T	64.5	Low	78.8	Confident	107 Å²	107	105.5 Å²	105.5	66%	0.656	55%	0.553	S	S	*	*			trans	-136	51.2	-176	55.8	0	0	0	0	116.7	I2 K6	I2-T4 HydrophobicContact CG2-CG2 3.57Å; I2-T4 WeakPolarHBondContact CG2-OG1 3.35Å; I2-T4 PolarHBondContact O-N 3.34Å; I2-T4 VanDerWaalsContact O-N 3.16Å; T4-K6 PolarHBondContact O-N 2.92Å
5	P	59.3	Low	79.8	Confident	56 Å²	56	103.6 Å²	103.6	36%	0.364	55%	0.548	S	S	.	.			trans	-90.1	83.6	164.9	34.4	-31.2	0	0	0	110	A23 T25 I34	P5-A23 WeakPolarHBondContact O-CB 3.45Å; P5-T25 VanDerWaalsContact C-OG1 3.25Å; P5-T25 WeakPolarHBondContact CD-OG1 3.38Å; P5-T25 HydrophobicContact CG-CG2 4.07Å; P5-T25 PolarHBondContact O-OG1 3.36Å; P5-I34 HydrophobicContact CG-CD1 4.41Å
6	K	68.1	Low	80.5	Confident	123 Å²	123	105.5 Å²	105.5	54%	0.535	55%	0.546	S	S	.	.			trans	-115	103.2	157.6	-72	-170.9	-177	-171	0	107.5	T4 T25	T4-K6 PolarHBondContact O-N 2.92Å; K6-T25 WeakPolarHBondContact CE-O 3.5Å
7	Q	76.9	Confident	80.9	Confident	114 Å²	114	104.9 Å²	104.9	53%	0.533	55%	0.548	S	S	.	.			trans	-79.7	129.4	172.1	-61	-67.1	9.6	0	0	108.8	W9 L19 D20	Q7-W9 HydrophobicContact CB-CH2 4.14Å; Q7-W9 HydrophobicContact CB-CZ2 3.84Å; Q7-L19 CarbonylContact O-C 3.53Å; Q7-L19 WeakPolarHBondContact O-CA 3.27Å; Q7-L19 WeakPolarHBondContact O-CB 3.3Å; Q7-D20 HydrophobicContact CB-CB 4.01Å; Q7-D20 PolarHBondContact O-N 3.44Å
8	V	83.2	Confident	81.2	Confident	60 Å²	60	99.8 Å²	99.8	36%	0.364	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.7	175.8	179.1	0	0	0	0	107.8	W10 Y16	V8-W10 HydrophobicContact CG1-CH2 4.5Å; V8-W10 HydrophobicContact CG1-CZ2 3.73Å; V8-Y16 HydrophobicContact CG1-CD2 3.86Å; V8-Y16 HydrophobicContact CG1-CE2 3.88Å
9	W	82.3	Confident	81.2	Confident	132 Å²	132	97.2 Å²	97.2	50%	0.5	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.8	-175.7	-49.4	110.7	0	0	0	110	Q7 V17 G18 D20	Q7-W9 HydrophobicContact CB-CH2 4.14Å; Q7-W9 HydrophobicContact CB-CZ2 3.84Å; W9-V17 HydrophobicContact CB-CB 4.32Å; W9-V17 PolarHBondContact O-N 3.28Å; W9-G18 PolarHBondContact N-O 3.28Å; W9-G18 PolarHBondContact O-N 3.38Å; W9-D20 HydrophobicContact CZ2-CB 4.01Å
10	W	87	Confident	81.2	Confident	164 Å²	164	94.5 Å²	94.5	62%	0.621	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	144.3	178.9	-55	93.9	0	0	0	109.2	V8 T15	V8-W10 HydrophobicContact CG1-CH2 4.5Å; V8-W10 HydrophobicContact CG1-CZ2 3.73Å; W10-T15 WeakPolarHBondContact CA-O 3.37Å
11	S	87.1	Confident	81.1	Confident	32 Å²	32	96 Å²	96	22%	0.224	50%	0.502	C	S	.	.			trans	-75.6	167.4	173	75.3	0	0	0	0	110.3	L13 S14 T15 V17	S11-L13 PolarHBondContact O-N 3.49Å; S11-L13 PolarHBondContact OG-N 3.22Å; S11-L13 VanDerWaalsContact OG-N 3.13Å; S11-S14 PolarHBondContact O-N 3.08Å; S11-S14 PolarHBondContact OG-N 3.36Å; S11-T15 WeakPolarHBondContact CB-OG1 3.23Å; S11-T15 PolarHBondContact N-O 3.41Å; S11-T15 PolarHBondContact OG-N 3.44Å; S11-T15 VanDerWaalsContact OG-N 3.1Å; S11-T15 PolarHBondContact OG-OG1 2.88Å; S11-V17 VanDerWaalsContact N-CG2 3.26Å
12	S	92.1	Very high	81.7	Confident	126 Å²	126	95.2 Å²	95.2	88%	0.881	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.3	169.5	54.5	0	0	0	0	113.3	S14	S12-S14 VanDerWaalsContact C-N 3.26Å
13	L	94.2	Very high	82	Confident	144 Å²	144	88.9 Å²	88.9	75%	0.754	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	12.8	173.8	-58.6	177.7	0	0	0	112.4	S11 T15	S11-L13 PolarHBondContact O-N 3.49Å; S11-L13 PolarHBondContact OG-N 3.22Å; S11-L13 VanDerWaalsContact OG-N 3.13Å; L13-T15 HydrophobicContact CB-CG2 4.44Å; L13-T15 PolarHBondContact O-N 3.5Å
14	S	89	Confident	82.5	Confident	103 Å²	103	90.1 Å²	90.1	72%	0.72	48%	0.479	S	S	*	.	S	Bend	trans	58.7	25.6	-177.7	-55.2	0	0	0	0	114.2	S11 S12	S11-S14 PolarHBondContact O-N 3.08Å; S11-S14 PolarHBondContact OG-N 3.36Å; S12-S14 VanDerWaalsContact C-N 3.26Å
15	T	93.5	Very high	83.5	Confident	77 Å²	77	85.5 Å²	85.5	47%	0.472	45%	0.451	S	S	.	.			trans	-91.9	144	173.6	61.3	0	0	0	0	110.5	W10 S11 L13 V17	W10-T15 WeakPolarHBondContact CA-O 3.37Å; S11-T15 WeakPolarHBondContact CB-OG1 3.23Å; S11-T15 PolarHBondContact N-O 3.41Å; S11-T15 PolarHBondContact OG-N 3.44Å; S11-T15 VanDerWaalsContact OG-N 3.1Å; S11-T15 PolarHBondContact OG-OG1 2.88Å; L13-T15 HydrophobicContact CB-CG2 4.44Å; L13-T15 PolarHBondContact O-N 3.5Å; T15-V17 PolarHBondContact O-N 3.03Å
16	Y	90.4	Very high	84.7	Confident	134 Å²	134	84.1 Å²	84.1	53%	0.525	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	124.6	173.6	169.7	-99	0	0	0	109.7	V8 G18	V8-Y16 HydrophobicContact CG1-CD2 3.86Å; V8-Y16 HydrophobicContact CG1-CE2 3.88Å; Y16-G18 WeakPolarHBondContact CE2-O 3.25Å; Y16-G18 VanDerWaalsContact CZ-CA 3.47Å; Y16-G18 WeakPolarHBondContact OH-CA 3.47Å
17	V	87.8	Confident	85.5	Confident	95 Å²	95	85.4 Å²	85.4	58%	0.576	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	-35.6	179.7	177.4	0	0	0	0	111.1	W9 S11 T15	W9-V17 HydrophobicContact CB-CB 4.32Å; W9-V17 PolarHBondContact O-N 3.28Å; S11-V17 VanDerWaalsContact N-CG2 3.26Å; T15-V17 PolarHBondContact O-N 3.03Å
18	G	85.8	Confident	85.8	Confident	14 Å²	14	83.4 Å²	83.4	14%	0.144	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.2	-167.4	-176.9	0	0	0	0	0	112.5	W9 Y16	W9-G18 PolarHBondContact N-O 3.28Å; W9-G18 PolarHBondContact O-N 3.38Å; Y16-G18 WeakPolarHBondContact CE2-O 3.25Å; Y16-G18 VanDerWaalsContact CZ-CA 3.47Å; Y16-G18 WeakPolarHBondContact OH-CA 3.47Å
19	L	82.2	Confident	85.9	Confident	49 Å²	49	84.2 Å²	84.2	26%	0.257	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	159.1	173.8	62.5	93.8	0	0	0	110.3	Q7 H21	Q7-L19 CarbonylContact O-C 3.53Å; Q7-L19 WeakPolarHBondContact O-CA 3.27Å; Q7-L19 WeakPolarHBondContact O-CB 3.3Å; L19-H21 PolarHBondContact O-CD2 2.89Å; L19-H21 VanDerWaalsContact O-CD2 3.29Å; L19-H21 PolarHBondContact O-N 3.48Å; L19-H21 VanDerWaalsContact O-N 3.12Å
20	D	80.1	Confident	86.3	Confident	44 Å²	44	78 Å²	78	24%	0.235	42%	0.421	C	S	.	.			trans	-72.8	103.1	174.9	-177.2	7.9	0	0	0	110.8	Q7 W9 N22 A23 S26	Q7-D20 HydrophobicContact CB-CB 4.01Å; Q7-D20 PolarHBondContact O-N 3.44Å; W9-D20 HydrophobicContact CZ2-CB 4.01Å; D20-N22 PolarHBondContact O-N 3Å; D20-N22 VanDerWaalsContact OD1-CB 3.31Å; D20-N22 WeakPolarHBondContact OD1-CB 3.47Å; D20-N22 PolarHBondContact OD1-N 3.41Å; D20-A23 HydrophobicContact CB-CB 4.42Å; D20-A23 PolarHBondContact O-N 3.4Å; D20-S26 WeakPolarHBondContact O-CB 3.49Å; D20-S26 PolarHBondContact O-OG 3.29Å
21	H	79.5	Confident	86.6	Confident	126 Å²	126	72 Å²	72	58%	0.583	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-10.7	178	-67.6	-75.5	0	0	0	113.9	L19	L19-H21 PolarHBondContact O-CD2 2.89Å; L19-H21 VanDerWaalsContact O-CD2 3.29Å; L19-H21 PolarHBondContact O-N 3.48Å; L19-H21 VanDerWaalsContact O-N 3.12Å
22	N	82	Confident	87	Confident	138 Å²	138	71.4 Å²	71.4	74%	0.738	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-22.1	176.1	-63.2	-34.5	0	0	0	112	D20 P24	D20-N22 PolarHBondContact O-N 3Å; D20-N22 VanDerWaalsContact OD1-CB 3.31Å; D20-N22 WeakPolarHBondContact OD1-CB 3.47Å; D20-N22 PolarHBondContact OD1-N 3.41Å; N22-P24 WeakPolarHBondContact O-CD 3.27Å
23	A	83.1	Confident	87	Confident	10 Å²	10	69.2 Å²	69.2	8%	0.083	38%	0.375	C	S	.	.	S	Bend	trans	-63.2	125.4	174.9	0	0	0	0	0	109.6	P5 D20 T25 S26	P5-A23 WeakPolarHBondContact O-CB 3.45Å; D20-A23 HydrophobicContact CB-CB 4.42Å; D20-A23 PolarHBondContact O-N 3.4Å; A23-T25 PolarHBondContact O-N 2.89Å; A23-T25 VanDerWaalsContact O-N 3.12Å; A23-S26 WeakPolarHBondContact O-CB 3.47Å; A23-S26 PolarHBondContact O-N 3.13Å; A23-S26 PolarHBondContact O-OG 3.4Å
24	P	84.2	Confident	86.9	Confident	45 Å²	45	63.1 Å²	63.1	29%	0.292	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-52.8	-44	-172.6	-29.9	34.4	0	0	0	112.4	N22 S26 R27 G30 I34	N22-P24 WeakPolarHBondContact O-CD 3.27Å; P24-S26 PolarHBondContact O-N 3.41Å; P24-R27 PolarHBondContact O-N 3.19Å; P24-G30 VanDerWaalsContact C-CA 3.44Å; P24-G30 WeakPolarHBondContact O-CA 3.18Å; P24-I34 HydrophobicContact CB-CD1 4.29Å; P24-I34 HydrophobicContact CB-CG1 4.22Å
25	T	86.1	Confident	87.2	Confident	10 Å²	10	58.3 Å²	58.3	6%	0.061	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-68.4	-7.7	-177.6	68.7	0	0	0	0	115.2	P5 K6 A23 R27 K31 I34	P5-T25 VanDerWaalsContact C-OG1 3.25Å; P5-T25 WeakPolarHBondContact CD-OG1 3.38Å; P5-T25 HydrophobicContact CG-CG2 4.07Å; P5-T25 PolarHBondContact O-OG1 3.36Å; K6-T25 WeakPolarHBondContact CE-O 3.5Å; A23-T25 PolarHBondContact O-N 2.89Å; A23-T25 VanDerWaalsContact O-N 3.12Å; T25-R27 PolarHBondContact O-N 2.99Å; T25-K31 HydrophobicContact CG2-CG 4.38Å; T25-I34 HydrophobicContact CG2-CD1 3.36Å
26	S	84.6	Confident	87.3	Confident	27 Å²	27	58.3 Å²	58.3	19%	0.189	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-65.9	-16.1	167	-63.5	0	0	0	0	112.6	D20 A23 P24	D20-S26 WeakPolarHBondContact O-CB 3.49Å; D20-S26 PolarHBondContact O-OG 3.29Å; A23-S26 WeakPolarHBondContact O-CB 3.47Å; A23-S26 PolarHBondContact O-N 3.13Å; A23-S26 PolarHBondContact O-OG 3.4Å; P24-S26 PolarHBondContact O-N 3.41Å
27	R	84.3	Confident	87.4	Confident	150 Å²	150	57.5 Å²	57.5	57%	0.566	31%	0.307	S	S	*	.	S	Bend	trans	-110.3	156.8	176.7	-54.2	178.5	-173.6	-175.9	0.6	111.5	P24 T25 D29 G30	P24-R27 PolarHBondContact O-N 3.19Å; T25-R27 PolarHBondContact O-N 2.99Å; R27-D29 WeakPolarHBondContact CB-OD1 3.48Å; R27-D29 PolarHBondContact O-N 3.12Å; R27-G30 PolarHBondContact O-N 2.93Å; R27-G30 VanDerWaalsContact O-N 3.14Å
28	S	83	Confident	87.7	Confident	72 Å²	72	54.5 Å²	54.5	50%	0.503	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-21.1	-175.6	54.2	0	0	0	0	114.7
29	D	85.9	Confident	88	Confident	77 Å²	77	55.6 Å²	55.6	41%	0.412	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-5.4	177	60.6	-26.6	0	0	0	112.8	R27 K31 A32 L33	R27-D29 WeakPolarHBondContact CB-OD1 3.48Å; R27-D29 PolarHBondContact O-N 3.12Å; D29-K31 VanDerWaalsContact C-N 3.28Å; D29-K31 PolarHBondContact O-N 3.4Å; D29-A32 WeakPolarHBondContact O-CB 3.11Å; D29-A32 PolarHBondContact O-N 2.95Å; D29-L33 PolarHBondContact O-N 3.47Å; D29-L33 VanDerWaalsContact O-N 3.1Å
30	G	90.5	Very high	88.7	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-57.3	-36.8	-175.4	0	0	0	0	0	115.3	P24 R27 L33 I34	P24-G30 VanDerWaalsContact C-CA 3.44Å; P24-G30 WeakPolarHBondContact O-CA 3.18Å; R27-G30 PolarHBondContact O-N 2.93Å; R27-G30 VanDerWaalsContact O-N 3.14Å; G30-L33 PolarHBondContact O-N 3.5Å; G30-I34 WeakPolarHBondContact O-CG1 3.2Å; G30-I34 PolarHBondContact O-N 3.16Å; G30-I34 VanDerWaalsContact O-N 3.09Å
31	K	93.6	Very high	89.4	Confident	38 Å²	38	63.8 Å²	63.8	17%	0.165	33%	0.326	C	S	.	.	H	α-helix	trans	-67	-40.6	177	-67.3	-176.4	179.8	177	0	111.1	L3 T25 D29 L33 I34 V35 M48 T54 D55 A58	L3-K31 HydrophobicContact CB-CG 4.23Å; L3-K31 HydrophobicContact CD1-CB 3.81Å; L3-K31 HydrophobicContact CD1-CD 4.45Å; L3-K31 HydrophobicContact CD1-CG 3.94Å; T25-K31 HydrophobicContact CG2-CG 4.38Å; D29-K31 VanDerWaalsContact C-N 3.28Å; D29-K31 PolarHBondContact O-N 3.4Å; K31-L33 VanDerWaalsContact C-N 3.33Å; K31-L33 PolarHBondContact O-N 3.27Å; K31-I34 PolarHBondContact O-N 3.08Å; K31-V35 VanDerWaalsContact O-CG2 3.31Å; K31-V35 WeakPolarHBondContact O-CG2 3.34Å; K31-V35 PolarHBondContact O-N 2.8Å; K31-M48 HydrophobicContact CD-CE 3.85Å; K31-T54 PolarHBondContact NZ-OG1 2.71Å; K31-D55 WeakPolarHBondContact CD-OD1 3.31Å; K31-D55 WeakPolarHBondContact CE-OD1 3.38Å; K31-D55 IonicContact NZ-OD1 3.08Å; K31-D55 PolarHBondContact NZ-OD1 2.89Å; K31-D55 IonicContact NZ-OD2 2.59Å; K31-D55 PolarHBondContact NZ-OD2 2.99Å; K31-D55 VanDerWaalsContact NZ-OD2 3.08Å; K31-A58 HydrophobicContact CB-CB 3.89Å
32	A	94.1	Very high	90	Very high	21 Å²	21	62.1 Å²	62.1	17%	0.174	32%	0.321	C	S	.	.	H	α-helix	trans	-62.2	-41.5	175.9	0	0	0	0	0	111.5	D29 V35 N36 A58 P61	D29-A32 WeakPolarHBondContact O-CB 3.11Å; D29-A32 PolarHBondContact O-N 2.95Å; A32-V35 PolarHBondContact O-N 2.85Å; A32-N36 WeakPolarHBondContact O-CB 3.47Å; A32-N36 PolarHBondContact O-N 2.91Å; A32-A58 HydrophobicContact CB-CB 4.41Å; A32-P61 WeakPolarHBondContact O-CG 3.48Å
33	L	93.1	Very high	90.5	Very high	80 Å²	80	63.3 Å²	63.3	42%	0.419	32%	0.322	S	S	.	.	H	α-helix	trans	-59.9	-47.7	175	-67.3	174.3	0	0	0	111.8	D29 G30 K31 V35 N36 E37	D29-L33 PolarHBondContact O-N 3.47Å; D29-L33 VanDerWaalsContact O-N 3.1Å; G30-L33 PolarHBondContact O-N 3.5Å; K31-L33 VanDerWaalsContact C-N 3.33Å; K31-L33 PolarHBondContact O-N 3.27Å; L33-V35 PolarHBondContact O-N 3.26Å; L33-N36 WeakPolarHBondContact O-CB 3.34Å; L33-N36 PolarHBondContact O-N 3.47Å; L33-E37 WeakPolarHBondContact O-CG 3.32Å; L33-E37 PolarHBondContact O-N 2.81Å
34	I	92.9	Very high	90.8	Very high	16 Å²	16	66.3 Å²	66.3	8%	0.082	34%	0.339	C	S	.	.	H	α-helix	trans	-65.9	-38.9	179.2	-63.7	165.6	0	0	0	111.5	M1 L3 P5 P24 T25 G30 K31 N36 E37 L38	M1-I34 HydrophobicContact CE-CG2 3.31Å; L3-I34 HydrophobicContact CD2-CB 4.16Å; L3-I34 HydrophobicContact CD2-CD1 4.43Å; L3-I34 HydrophobicContact CD2-CG2 3.49Å; L3-I34 VanDerWaalsContact CD2-CG2 3.49Å; P5-I34 HydrophobicContact CG-CD1 4.41Å; P24-I34 HydrophobicContact CB-CD1 4.29Å; P24-I34 HydrophobicContact CB-CG1 4.22Å; T25-I34 HydrophobicContact CG2-CD1 3.36Å; G30-I34 WeakPolarHBondContact O-CG1 3.2Å; G30-I34 PolarHBondContact O-N 3.16Å; G30-I34 VanDerWaalsContact O-N 3.09Å; K31-I34 PolarHBondContact O-N 3.08Å; I34-N36 VanDerWaalsContact C-N 3.3Å; I34-N36 PolarHBondContact O-N 3.43Å; I34-E37 PolarHBondContact O-N 2.92Å; I34-L38 HydrophobicContact CG2-CG 4.48Å; I34-L38 WeakPolarHBondContact O-CG 3.11Å; I34-L38 PolarHBondContact O-N 2.9Å
35	V	94.7	Very high	91.1	Very high	2 Å²	2	69.3 Å²	69.3	1%	0.012	36%	0.359	C	S	.	.	H	α-helix	trans	-62.3	-40.9	174.5	174.9	0	0	0	0	110.5	L3 K31 A32 L33 L38 L39 V46 M48 A58 P61 A62	L3-V35 HydrophobicContact CD1-CG2 4.13Å; K31-V35 VanDerWaalsContact O-CG2 3.31Å; K31-V35 WeakPolarHBondContact O-CG2 3.34Å; K31-V35 PolarHBondContact O-N 2.8Å; A32-V35 PolarHBondContact O-N 2.85Å; L33-V35 PolarHBondContact O-N 3.26Å; V35-L38 WeakPolarHBondContact O-CB 3.37Å; V35-L38 PolarHBondContact O-N 2.74Å; V35-L39 HydrophobicContact CG1-CD1 3.98Å; V35-L39 HydrophobicContact CG1-CG 4.39Å; V35-L39 VanDerWaalsContact O-CG 3.28Å; V35-L39 WeakPolarHBondContact O-CG 3.36Å; V35-L39 PolarHBondContact O-N 2.63Å; V35-V46 HydrophobicContact CG1-CB 4.01Å; V35-V46 HydrophobicContact CG1-CG1 3.88Å; V35-V46 HydrophobicContact CG2-CG1 4.39Å; V35-M48 HydrophobicContact CG2-SD 4.41Å; V35-A58 HydrophobicContact CG2-CB 4.11Å; V35-P61 HydrophobicContact CB-CG 4.07Å; V35-P61 HydrophobicContact CG1-CG 3.87Å; V35-A62 HydrophobicContact CG1-CB 4Å
36	N	94.7	Very high	91.4	Very high	76 Å²	76	69.9 Å²	69.9	41%	0.406	36%	0.362	S	S	.	.	H	α-helix	trans	-61.1	-45	174.9	-165	56.6	0	0	0	112.1	A32 L33 I34 L38 L39 N40 P61	A32-N36 WeakPolarHBondContact O-CB 3.47Å; A32-N36 PolarHBondContact O-N 2.91Å; L33-N36 WeakPolarHBondContact O-CB 3.34Å; L33-N36 PolarHBondContact O-N 3.47Å; I34-N36 VanDerWaalsContact C-N 3.3Å; I34-N36 PolarHBondContact O-N 3.43Å; N36-L38 VanDerWaalsContact C-N 3.33Å; N36-L38 PolarHBondContact O-N 2.91Å; N36-L39 PolarHBondContact O-N 2.81Å; N36-N40 VanDerWaalsContact O-CG 3.31Å; N36-N40 PolarHBondContact O-N 3.45Å; N36-N40 PolarHBondContact O-ND2 3.16Å; N36-N40 VanDerWaalsContact O-ND2 3.15Å; N36-P61 HydrophobicContact CB-CG 3.98Å
37	E	93.2	Very high	91.8	Very high	117 Å²	117	71.3 Å²	71.3	55%	0.547	37%	0.367	S	S	.	.	H	α-helix	trans	-60.5	-41.8	175.2	-71.5	173.9	-177.1	0	0	112	L33 I34 N40 K41	L33-E37 WeakPolarHBondContact O-CG 3.32Å; L33-E37 PolarHBondContact O-N 2.81Å; I34-E37 PolarHBondContact O-N 2.92Å; E37-N40 PolarHBondContact O-N 2.83Å; E37-K41 VanDerWaalsContact O-CB 3.3Å; E37-K41 WeakPolarHBondContact O-CB 3.41Å; E37-K41 PolarHBondContact O-N 2.59Å
38	L	93.2	Very high	92.4	Very high	32 Å²	32	64.8 Å²	64.8	17%	0.168	34%	0.343	C	S	.	.	H	α-helix	trans	-63.6	-43.5	175.3	-77.3	179.8	0	0	0	112.4	M1 I34 V35 N36 N40 K41 L42 V46	M1-L38 HydrophobicContact CE-CD1 3.26Å; M1-L38 HydrophobicContact CE-CD2 3.81Å; M1-L38 HydrophobicContact CE-CG 3.68Å; M1-L38 HydrophobicContact SD-CD1 4.16Å; M1-L38 HydrophobicContact SD-CD2 4Å; M1-L38 HydrophobicContact SD-CG 4.49Å; I34-L38 HydrophobicContact CG2-CG 4.48Å; I34-L38 WeakPolarHBondContact O-CG 3.11Å; I34-L38 PolarHBondContact O-N 2.9Å; V35-L38 WeakPolarHBondContact O-CB 3.37Å; V35-L38 PolarHBondContact O-N 2.74Å; N36-L38 VanDerWaalsContact C-N 3.33Å; N36-L38 PolarHBondContact O-N 2.91Å; L38-N40 VanDerWaalsContact C-N 3.32Å; L38-N40 PolarHBondContact O-N 3.16Å; L38-K41 PolarHBondContact O-N 3.33Å; L38-L42 HydrophobicContact CD2-CD1 4.09Å; L38-L42 VanDerWaalsContact O-CB 3.3Å; L38-L42 WeakPolarHBondContact O-CB 3.46Å; L38-L42 WeakPolarHBondContact O-CG 3.43Å; L38-L42 PolarHBondContact O-N 2.98Å; L38-V46 HydrophobicContact CB-CG2 4.25Å
39	L	94.1	Very high	93	Very high	37 Å²	37	64.6 Å²	64.6	19%	0.194	34%	0.335	C	S	.	.	H	α-helix	trans	-60.3	-44.8	177.4	-73.6	164	0	0	0	110.9	V35 N36 K41 H43 T44 V46 P61	V35-L39 HydrophobicContact CG1-CD1 3.98Å; V35-L39 HydrophobicContact CG1-CG 4.39Å; V35-L39 VanDerWaalsContact O-CG 3.28Å; V35-L39 WeakPolarHBondContact O-CG 3.36Å; V35-L39 PolarHBondContact O-N 2.63Å; N36-L39 PolarHBondContact O-N 2.81Å; L39-K41 VanDerWaalsContact C-N 3.31Å; L39-K41 PolarHBondContact O-N 3.41Å; L39-H43 WeakPolarHBondContact O-CA 3.29Å; L39-H43 PolarHBondContact O-N 2.98Å; L39-T44 WeakPolarHBondContact CD2-O 3.44Å; L39-V46 HydrophobicContact CD2-CB 4.15Å; L39-V46 HydrophobicContact CD2-CG2 3.81Å; L39-V46 HydrophobicContact CG-CB 4.44Å; L39-V46 HydrophobicContact CG-CG2 4.01Å; L39-P61 HydrophobicContact CD1-CB 3.72Å; L39-P61 HydrophobicContact CD1-CG 4.15Å; L39-P61 VanDerWaalsContact CD1-O 3.3Å; L39-P61 WeakPolarHBondContact CD1-O 3.41Å
40	N	95.3	Very high	93.6	Very high	102 Å²	102	61.3 Å²	61.3	55%	0.545	32%	0.32	S	S	.	.	H	α-helix	trans	-67.4	-30.8	177.3	-67.9	-31.5	0	0	0	112.9	N36 E37 L38 H43	N36-N40 VanDerWaalsContact O-CG 3.31Å; N36-N40 PolarHBondContact O-N 3.45Å; N36-N40 PolarHBondContact O-ND2 3.16Å; N36-N40 VanDerWaalsContact O-ND2 3.15Å; E37-N40 PolarHBondContact O-N 2.83Å; L38-N40 VanDerWaalsContact C-N 3.32Å; L38-N40 PolarHBondContact O-N 3.16Å; N40-H43 PolarHBondContact O-CE1 2.92Å; N40-H43 VanDerWaalsContact O-CE1 3.25Å; N40-H43 PolarHBondContact O-NE2 3.17Å
41	K	94.4	Very high	93.8	Very high	164 Å²	164	64.5 Å²	64.5	71%	0.713	34%	0.337	S	S	*	.	H	α-helix	trans	-82.8	-43.2	-179.3	-175.4	175.2	-179.6	177.7	0	112.7	E37 L38 L39	E37-K41 VanDerWaalsContact O-CB 3.3Å; E37-K41 WeakPolarHBondContact O-CB 3.41Å; E37-K41 PolarHBondContact O-N 2.59Å; L38-K41 PolarHBondContact O-N 3.33Å; L39-K41 VanDerWaalsContact C-N 3.31Å; L39-K41 PolarHBondContact O-N 3.41Å
42	L	92.3	Very high	93.9	Very high	91 Å²	91	63.4 Å²	63.4	48%	0.476	34%	0.336	S	S	.	.	H	α-helix	trans	-94.6	-23.8	-171.3	-59.4	178.4	0	0	0	112.4	L38 T44	L38-L42 HydrophobicContact CD2-CD1 4.09Å; L38-L42 VanDerWaalsContact O-CB 3.3Å; L38-L42 WeakPolarHBondContact O-CB 3.46Å; L38-L42 WeakPolarHBondContact O-CG 3.43Å; L38-L42 PolarHBondContact O-N 2.98Å; L42-T44 WeakPolarHBondContact CB-OG1 3.44Å; L42-T44 PolarHBondContact O-N 3.48Å; L42-T44 VanDerWaalsContact O-N 3.16Å
43	H	92.3	Very high	93.9	Very high	163 Å²	163	66 Å²	66	76%	0.755	35%	0.345	S	S	*	.			trans	54.4	27.1	-173.8	-52.9	96.9	0	0	0	113.4	L39 N40	L39-H43 WeakPolarHBondContact O-CA 3.29Å; L39-H43 PolarHBondContact O-N 2.98Å; N40-H43 PolarHBondContact O-CE1 2.92Å; N40-H43 VanDerWaalsContact O-CE1 3.25Å; N40-H43 PolarHBondContact O-NE2 3.17Å
44	T	90	Very high	93.9	Very high	72 Å²	72	64.8 Å²	64.8	44%	0.442	34%	0.341	S	S	.	.	S	Bend	trans	-121.6	143.8	178.1	56.5	0	0	0	0	109.8	L39 L42 V46	L39-T44 WeakPolarHBondContact CD2-O 3.44Å; L42-T44 WeakPolarHBondContact CB-OG1 3.44Å; L42-T44 PolarHBondContact O-N 3.48Å; L42-T44 VanDerWaalsContact O-N 3.16Å; T44-V46 PolarHBondContact O-N 3.24Å
45	P	90.9	Very high	94	Very high	109 Å²	109	64.6 Å²	64.6	71%	0.708	34%	0.341	S	S	*	.			trans	-51.8	139.1	173.1	-25.8	34.6	0	0	0	112
46	V	92.6	Very high	94.1	Very high	22 Å²	22	64.8 Å²	64.8	13%	0.133	34%	0.342	C	S	.	.			trans	-110.5	132	175.9	175.8	0	0	0	0	108.8	V35 L38 L39 T44 A62 S63	V35-V46 HydrophobicContact CG1-CB 4.01Å; V35-V46 HydrophobicContact CG1-CG1 3.88Å; V35-V46 HydrophobicContact CG2-CG1 4.39Å; L38-V46 HydrophobicContact CB-CG2 4.25Å; L39-V46 HydrophobicContact CD2-CB 4.15Å; L39-V46 HydrophobicContact CD2-CG2 3.81Å; L39-V46 HydrophobicContact CG-CB 4.44Å; L39-V46 HydrophobicContact CG-CG2 4.01Å; T44-V46 PolarHBondContact O-N 3.24Å; V46-A62 WeakPolarHBondContact O-CA 3.3Å; V46-A62 WeakPolarHBondContact O-CB 3.46Å; V46-S63 PolarHBondContact O-N 2.93Å
47	M	93.8	Very high	94.1	Very high	57 Å²	57	67.1 Å²	67.1	28%	0.281	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.5	168.4	178.4	-168.5	-67.6	0	0	109.3	I49 V64 I66 L95 M100	M47-I49 HydrophobicContact CG-CG1 4.34Å; M47-I49 HydrophobicContact SD-CD1 4.32Å; M47-I49 HydrophobicContact SD-CG1 4.26Å; M47-V64 WeakPolarHBondContact CA-O 3.38Å; M47-V64 HydrophobicContact CG-CB 4.19Å; M47-V64 HydrophobicContact CG-CG1 4.29Å; M47-I66 HydrophobicContact CE-CD1 4.05Å; M47-I66 HydrophobicContact CG-CD1 4.06Å; M47-I66 HydrophobicContact CG-CG1 4.14Å; M47-I66 HydrophobicContact SD-CD1 3.18Å; M47-I66 WeakPolarHBondContact SD-CD1 3.29Å; M47-I66 HydrophobicContact SD-CG1 3.91Å; M47-L95 HydrophobicContact CE-CD2 3.76Å; M47-L95 HydrophobicContact SD-CD2 3.61Å; M47-M100 HydrophobicContact CE-CB 3.84Å; M47-M100 HydrophobicContact CE-CE 4.02Å; M47-M100 HydrophobicContact CE-CG 3.78Å; M47-M100 HydrophobicContact CE-SD 3.27Å; M47-M100 WeakPolarHBondContact CE-SD 3.49Å
48	M	95.8	Very high	94.2	Very high	13 Å²	13	61.6 Å²	61.6	6%	0.064	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	130.3	174.7	-170.7	61.9	-174.6	0	0	109.9	L3 K31 V35 D55 A58 A62 V64 F65 I66	L3-M48 HydrophobicContact CD1-CE 3.94Å; L3-M48 HydrophobicContact CD1-SD 4.09Å; K31-M48 HydrophobicContact CD-CE 3.85Å; V35-M48 HydrophobicContact CG2-SD 4.41Å; M48-D55 HydrophobicContact CE-CB 3.61Å; M48-D55 WeakPolarHBondContact CE-OD1 3.34Å; M48-D55 HydrophobicContact CG-CB 4.32Å; M48-D55 WeakPolarHBondContact CG-O 2.95Å; M48-A58 HydrophobicContact CE-CB 4.46Å; M48-A58 HydrophobicContact CG-CB 4.13Å; M48-A58 HydrophobicContact SD-CB 4.24Å; M48-A62 HydrophobicContact CB-CB 3.87Å; M48-V64 PolarHBondContact N-O 3.14Å; M48-F65 HydrophobicContact CB-CD2 4.12Å; M48-F65 HydrophobicContact CG-CD2 4.06Å; M48-F65 CarbonylContact O-C 3.19Å; M48-F65 WeakPolarHBondContact O-CA 3.49Å; M48-I66 PolarHBondContact O-N 3.3Å
49	I	96.7	Very high	94.4	Very high	67 Å²	67	61.6 Å²	61.6	34%	0.344	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.4	174.5	-52.6	171.5	0	0	0	107.5	M47 I66 F68 L91	M47-I49 HydrophobicContact CG-CG1 4.34Å; M47-I49 HydrophobicContact SD-CD1 4.32Å; M47-I49 HydrophobicContact SD-CG1 4.26Å; I49-I66 WeakPolarHBondContact CA-O 3.31Å; I49-I66 HydrophobicContact CG1-CB 4.17Å; I49-I66 HydrophobicContact CG1-CD1 4.35Å; I49-I66 HydrophobicContact CG2-CB 4.44Å; I49-F68 HydrophobicContact CG2-CB 4.07Å; I49-F68 HydrophobicContact CG2-CG 4.5Å; I49-L91 HydrophobicContact CD1-CD1 4.1Å; I49-L91 HydrophobicContact CD1-CD2 4.31Å; I49-L91 HydrophobicContact CG2-CD2 4.36Å
50	G	96.6	Very high	94.4	Very high	8 Å²	8	65 Å²	65	8%	0.082	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.9	163.8	178.4	0	0	0	0	0	115	I66 G67 F68	G50-I66 PolarHBondContact N-O 3.21Å; G50-I66 VanDerWaalsContact N-O 3.08Å; G50-G67 CarbonylContact O-C 3.57Å; G50-G67 WeakPolarHBondContact O-CA 3.3Å; G50-F68 PolarHBondContact O-N 3.28Å
51	D	95.9	Very high	94.4	Very high	68 Å²	68	62 Å²	62	36%	0.364	34%	0.336	S	S	.	.	S	Bend	trans	-98.4	-6.6	-176.7	74.2	-51.1	0	0	0	112.9	F68 R74	D51-F68 WeakPolarHBondContact CA-O 3.3Å; D51-F68 WeakPolarHBondContact CB-O 3.4Å; D51-R74 WeakPolarHBondContact O-CD 3.38Å
52	G	95	Very high	94.5	Very high	14 Å²	14	54.5 Å²	54.5	14%	0.144	30%	0.304	C	S	.	.	S	Bend	trans	-117.2	161	-169.4	0	0	0	0	0	114.9	T54 D55 A56	G52-T54 VanDerWaalsContact C-N 3.26Å; G52-T54 PolarHBondContact O-N 2.9Å; G52-D55 PolarHBondContact N-OD2 3.29Å; G52-D55 WeakPolarHBondContact O-CB 3.39Å; G52-D55 PolarHBondContact O-N 3.3Å; G52-D55 VanDerWaalsContact O-N 3.14Å; G52-A56 PolarHBondContact O-N 3.27Å; G52-A56 VanDerWaalsContact O-N 3.14Å
53	M	94.9	Very high	94.6	Very high	75 Å²	75	53.7 Å²	53.7	37%	0.369	31%	0.306	S	S	.	.	H	α-helix	trans	-66.6	-25.2	175.9	-73.1	-56.8	-51.6	0	0	113.6	D55 A56 K57 K76 V77	M53-D55 VanDerWaalsContact C-N 3.28Å; M53-A56 HydrophobicContact CE-CB 4.32Å; M53-K57 WeakPolarHBondContact O-CB 3.39Å; M53-K57 VanDerWaalsContact O-CG 3.27Å; M53-K57 WeakPolarHBondContact O-CG 3.45Å; M53-K57 PolarHBondContact O-N 3.2Å; M53-K76 HydrophobicContact SD-CB 4.07Å; M53-V77 HydrophobicContact CG-CG2 4.18Å; M53-V77 HydrophobicContact SD-CG2 3.82Å
54	T	93	Very high	94.7	Very high	55 Å²	55	47.4 Å²	47.4	34%	0.337	28%	0.279	S	S	.	.	H	α-helix	trans	-71	-28.9	174.6	57.1	0	0	0	0	111.6	K31 G52	K31-T54 PolarHBondContact NZ-OG1 2.71Å; G52-T54 VanDerWaalsContact C-N 3.26Å; G52-T54 PolarHBondContact O-N 2.9Å
55	D	95.2	Very high	95.1	Very high	13 Å²	13	44.1 Å²	44.1	7%	0.07	26%	0.259	C	S	.	.	H	α-helix	trans	-70.9	-48.7	172	-54.8	-77.2	0	0	0	110.7	K31 M48 G52 M53 K57 A58 F65	K31-D55 WeakPolarHBondContact CD-OD1 3.31Å; K31-D55 WeakPolarHBondContact CE-OD1 3.38Å; K31-D55 IonicContact NZ-OD1 3.08Å; K31-D55 PolarHBondContact NZ-OD1 2.89Å; K31-D55 IonicContact NZ-OD2 2.59Å; K31-D55 PolarHBondContact NZ-OD2 2.99Å; K31-D55 VanDerWaalsContact NZ-OD2 3.08Å; M48-D55 HydrophobicContact CE-CB 3.61Å; M48-D55 WeakPolarHBondContact CE-OD1 3.34Å; M48-D55 HydrophobicContact CG-CB 4.32Å; M48-D55 WeakPolarHBondContact CG-O 2.95Å; G52-D55 PolarHBondContact N-OD2 3.29Å; G52-D55 WeakPolarHBondContact O-CB 3.39Å; G52-D55 PolarHBondContact O-N 3.3Å; G52-D55 VanDerWaalsContact O-N 3.14Å; M53-D55 VanDerWaalsContact C-N 3.28Å; D55-K57 PolarHBondContact O-N 3.46Å; D55-A58 WeakPolarHBondContact O-CB 3.36Å; D55-A58 PolarHBondContact O-N 2.9Å; D55-F65 HydrophobicContact CB-CE2 3.83Å; D55-F65 HydrophobicContact CB-CZ 4.41Å
56	A	95.8	Very high	95.4	Very high	5 Å²	5	38.9 Å²	38.9	4%	0.041	23%	0.225	C	C	.	.	H	α-helix	trans	-54.2	-41.8	175	0	0	0	0	0	112.1	G52 M53 A58 C59 F65 I80	G52-A56 PolarHBondContact O-N 3.27Å; G52-A56 VanDerWaalsContact O-N 3.14Å; M53-A56 HydrophobicContact CE-CB 4.32Å; A56-A58 PolarHBondContact O-N 3.22Å; A56-C59 PolarHBondContact O-N 2.95Å; A56-F65 HydrophobicContact CB-CD1 3.82Å; A56-F65 HydrophobicContact CB-CE1 3.45Å; A56-F65 VanDerWaalsContact CB-CE1 3.45Å; A56-F65 HydrophobicContact CB-CE2 4.46Å; A56-F65 HydrophobicContact CB-CG 4.5Å; A56-F65 HydrophobicContact CB-CZ 3.81Å; A56-I80 HydrophobicContact CB-CG2 3.76Å
57	K	94.7	Very high	95.7	Very high	126 Å²	126	37.9 Å²	37.9	55%	0.548	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-9.9	177.8	-77	-178.1	178.7	-168.3	0	114.8	M53 D55	M53-K57 WeakPolarHBondContact O-CB 3.39Å; M53-K57 VanDerWaalsContact O-CG 3.27Å; M53-K57 WeakPolarHBondContact O-CG 3.45Å; M53-K57 PolarHBondContact O-N 3.2Å; D55-K57 PolarHBondContact O-N 3.46Å
58	A	95.8	Very high	95.9	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	3.8	170.7	0	0	0	0	0	112.6	K31 A32 V35 M48 D55 A56 P60 P61 A62	K31-A58 HydrophobicContact CB-CB 3.89Å; A32-A58 HydrophobicContact CB-CB 4.41Å; V35-A58 HydrophobicContact CG2-CB 4.11Å; M48-A58 HydrophobicContact CE-CB 4.46Å; M48-A58 HydrophobicContact CG-CB 4.13Å; M48-A58 HydrophobicContact SD-CB 4.24Å; D55-A58 WeakPolarHBondContact O-CB 3.36Å; D55-A58 PolarHBondContact O-N 2.9Å; A56-A58 PolarHBondContact O-N 3.22Å; A58-P60 VanDerWaalsContact C-C 3.42Å; A58-P60 CarbonylContact C-O 3.6Å; A58-P60 CarbonylContact O-C 3.59Å; A58-P61 VanDerWaalsContact O-CD 3.29Å; A58-P61 WeakPolarHBondContact O-CD 3.38Å; A58-P61 VanDerWaalsContact O-N 3.13Å; A58-A62 WeakPolarHBondContact O-CB 3.5Å; A58-A62 PolarHBondContact O-N 3.48Å
59	C	96.5	Very high	96	Very high	33 Å²	33	36.7 Å²	36.7	22%	0.223	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.8	102.7	174	-169.3	0	0	0	0	109.5	A56 A62 F65	A56-C59 PolarHBondContact O-N 2.95Å; C59-A62 HydrophobicContact CB-CB 3.98Å; C59-A62 PolarHBondContact SG-O 3.44Å; C59-F65 HydrophobicContact CB-CB 3.68Å
60	P	95.5	Very high	96	Very high	109 Å²	109	36.8 Å²	36.8	71%	0.708	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	cis	-68.5	159.2	-1.8	29.7	-35.6	0	0	0	113.1	A58	A58-P60 VanDerWaalsContact C-C 3.42Å; A58-P60 CarbonylContact C-O 3.6Å; A58-P60 CarbonylContact O-C 3.59Å
61	P	95.4	Very high	96	Very high	39 Å²	39	43.4 Å²	43.4	25%	0.253	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	cis	-91.9	-4.4	13.7	35.3	-35	0	0	0	115.8	A32 V35 N36 L39 A58	A32-P61 WeakPolarHBondContact O-CG 3.48Å; V35-P61 HydrophobicContact CB-CG 4.07Å; V35-P61 HydrophobicContact CG1-CG 3.87Å; N36-P61 HydrophobicContact CB-CG 3.98Å; L39-P61 HydrophobicContact CD1-CB 3.72Å; L39-P61 HydrophobicContact CD1-CG 4.15Å; L39-P61 VanDerWaalsContact CD1-O 3.3Å; L39-P61 WeakPolarHBondContact CD1-O 3.41Å; A58-P61 VanDerWaalsContact O-CD 3.29Å; A58-P61 WeakPolarHBondContact O-CD 3.38Å; A58-P61 VanDerWaalsContact O-N 3.13Å
62	A	95.9	Very high	96	Very high	6 Å²	6	43.2 Å²	43.2	5%	0.05	25%	0.252	C	S	.	.	S	Bend	trans	-55.5	151.7	168.1	0	0	0	0	0	110.5	V35 V46 M48 A58 C59	V35-A62 HydrophobicContact CG1-CB 4Å; V46-A62 WeakPolarHBondContact O-CA 3.3Å; V46-A62 WeakPolarHBondContact O-CB 3.46Å; M48-A62 HydrophobicContact CB-CB 3.87Å; A58-A62 WeakPolarHBondContact O-CB 3.5Å; A58-A62 PolarHBondContact O-N 3.48Å; C59-A62 HydrophobicContact CB-CB 3.98Å; C59-A62 PolarHBondContact SG-O 3.44Å
63	S	94.4	Very high	96.2	Very high	74 Å²	74	46.9 Å²	46.9	52%	0.517	27%	0.267	S	S	.	.	S	Bend	trans	-85	-26.5	-179.3	-50.4	0	0	0	0	112.8	V46	V46-S63 PolarHBondContact O-N 2.93Å
64	V	95	Very high	96.4	Very high	30 Å²	30	49.1 Å²	49.1	18%	0.182	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	135.9	-178.5	176.4	0	0	0	0	108.5	M47 M48 I66 D82 Y83	M47-V64 WeakPolarHBondContact CA-O 3.38Å; M47-V64 HydrophobicContact CG-CB 4.19Å; M47-V64 HydrophobicContact CG-CG1 4.29Å; M48-V64 PolarHBondContact N-O 3.14Å; V64-I66 HydrophobicContact CG1-CG1 4.15Å; V64-D82 WeakPolarHBondContact CA-OD2 3.28Å; V64-D82 HydrophobicContact CG1-CB 4.01Å; V64-Y83 HydrophobicContact CG1-CD2 3.96Å; V64-Y83 HydrophobicContact CG1-CE2 4.11Å
65	F	97.1	Very high	96.6	Very high	3 Å²	3	51.6 Å²	51.6	1%	0.013	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	117.4	167.7	174.7	-124.5	0	0	0	111.3	M48 D55 A56 C59 V77 I80 S81 D82	M48-F65 HydrophobicContact CB-CD2 4.12Å; M48-F65 HydrophobicContact CG-CD2 4.06Å; M48-F65 CarbonylContact O-C 3.19Å; M48-F65 WeakPolarHBondContact O-CA 3.49Å; D55-F65 HydrophobicContact CB-CE2 3.83Å; D55-F65 HydrophobicContact CB-CZ 4.41Å; A56-F65 HydrophobicContact CB-CD1 3.82Å; A56-F65 HydrophobicContact CB-CE1 3.45Å; A56-F65 VanDerWaalsContact CB-CE1 3.45Å; A56-F65 HydrophobicContact CB-CE2 4.46Å; A56-F65 HydrophobicContact CB-CG 4.5Å; A56-F65 HydrophobicContact CB-CZ 3.81Å; C59-F65 HydrophobicContact CB-CB 3.68Å; F65-V77 HydrophobicContact CE1-CG1 4Å; F65-V77 HydrophobicContact CZ-CG1 3.8Å; F65-I80 HydrophobicContact CD1-CG2 4.39Å; F65-I80 HydrophobicContact CE1-CG2 4.09Å; F65-S81 VanDerWaalsContact CE1-OG 3.29Å; F65-S81 WeakPolarHBondContact CE1-OG 3.35Å; F65-D82 PolarHBondContact N-OD2 3.43Å; F65-D82 PolarHBondContact O-N 3.02Å
66	I	97.9	Very high	96.7	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	113.9	170.5	-53.3	-178.4	0	0	0	109	M47 M48 I49 G50 V64 Y83 L91 L94 L95	M47-I66 HydrophobicContact CE-CD1 4.05Å; M47-I66 HydrophobicContact CG-CD1 4.06Å; M47-I66 HydrophobicContact CG-CG1 4.14Å; M47-I66 HydrophobicContact SD-CD1 3.18Å; M47-I66 WeakPolarHBondContact SD-CD1 3.29Å; M47-I66 HydrophobicContact SD-CG1 3.91Å; M48-I66 PolarHBondContact O-N 3.3Å; I49-I66 WeakPolarHBondContact CA-O 3.31Å; I49-I66 HydrophobicContact CG1-CB 4.17Å; I49-I66 HydrophobicContact CG1-CD1 4.35Å; I49-I66 HydrophobicContact CG2-CB 4.44Å; G50-I66 PolarHBondContact N-O 3.21Å; G50-I66 VanDerWaalsContact N-O 3.08Å; V64-I66 HydrophobicContact CG1-CG1 4.15Å; I66-Y83 CarbonylContact C-O 3.21Å; I66-Y83 VanDerWaalsContact CA-O 3.32Å; I66-Y83 WeakPolarHBondContact CA-O 3.22Å; I66-Y83 HydrophobicContact CG1-CD2 4.39Å; I66-L91 HydrophobicContact CD1-CD1 4.02Å; I66-L91 HydrophobicContact CG2-CD1 4.04Å; I66-L94 HydrophobicContact CD1-CD2 3.65Å; I66-L94 HydrophobicContact CG1-CD2 4.29Å; I66-L94 HydrophobicContact CG2-CD2 4.16Å; I66-L95 HydrophobicContact CD1-CD2 4.25Å
67	G	98.4	Very high	96.8	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	132.8	171	0	0	0	0	0	111	G50 S81 Y83 F84 C85	G50-G67 CarbonylContact O-C 3.57Å; G50-G67 WeakPolarHBondContact O-CA 3.3Å; G67-S81 WeakPolarHBondContact CA-OG 3.32Å; G67-S81 PolarHBondContact N-OG 3.36Å; G67-Y83 PolarHBondContact N-O 3.31Å; G67-F84 WeakPolarHBondContact O-CA 3.49Å; G67-F84 WeakPolarHBondContact O-CD2 3.35Å; G67-C85 PolarHBondContact O-N 3.31Å
68	F	98.3	Very high	97	Very high	40 Å²	40	58.2 Å²	58.2	18%	0.175	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	103.4	-177.9	-163.4	-125.4	0	0	0	111.9	I49 G50 D51 V70 C85 S87 V88 L91	I49-F68 HydrophobicContact CG2-CB 4.07Å; I49-F68 HydrophobicContact CG2-CG 4.5Å; G50-F68 PolarHBondContact O-N 3.28Å; D51-F68 WeakPolarHBondContact CA-O 3.3Å; D51-F68 WeakPolarHBondContact CB-O 3.4Å; F68-V70 HydrophobicContact CD1-CB 4.24Å; F68-V70 HydrophobicContact CD1-CG1 3.85Å; F68-V70 HydrophobicContact CE1-CB 3.68Å; F68-V70 HydrophobicContact CE1-CG1 3.38Å; F68-V70 HydrophobicContact CE2-CB 4.36Å; F68-V70 HydrophobicContact CZ-CB 3.74Å; F68-V70 HydrophobicContact CZ-CG1 3.98Å; F68-V70 HydrophobicContact CZ-CG2 4.29Å; F68-C85 CarbonylContact C-O 3.53Å; F68-C85 WeakPolarHBondContact CA-O 2.82Å; F68-C85 HydrophobicContact CD2-CB 4Å; F68-C85 HydrophobicContact CE2-CB 4.24Å; F68-S87 WeakPolarHBondContact CE2-O 3.19Å; F68-V88 HydrophobicContact CZ-CG2 3.94Å; F68-L91 HydrophobicContact CD2-CD2 4.43Å; F68-L91 HydrophobicContact CE2-CB 4.23Å; F68-L91 HydrophobicContact CE2-CD2 4.2Å
69	G	97.8	Very high	97.1	Very high	6 Å²	6	62.6 Å²	62.6	6%	0.062	35%	0.352	C	S	.	.			trans	-98.2	23.8	-172.7	0	0	0	0	0	115.5	N71 V72 C85	G69-N71 VanDerWaalsContact C-N 3.28Å; G69-N71 PolarHBondContact O-N 3.3Å; G69-V72 WeakPolarHBondContact CA-O 3.35Å; G69-V72 PolarHBondContact O-N 3.08Å; G69-C85 PolarHBondContact N-O 3.25Å
70	V	97.1	Very high	97.2	Very high	69 Å²	69	65.6 Å²	65.6	42%	0.418	36%	0.364	S	S	.	.	S	Bend	trans	-59.4	-36	-172.2	72.8	0	0	0	0	113.7	F68 T86	F68-V70 HydrophobicContact CD1-CB 4.24Å; F68-V70 HydrophobicContact CD1-CG1 3.85Å; F68-V70 HydrophobicContact CE1-CB 3.68Å; F68-V70 HydrophobicContact CE1-CG1 3.38Å; F68-V70 HydrophobicContact CE2-CB 4.36Å; F68-V70 HydrophobicContact CZ-CB 3.74Å; F68-V70 HydrophobicContact CZ-CG1 3.98Å; F68-V70 HydrophobicContact CZ-CG2 4.29Å; V70-T86 WeakPolarHBondContact CA-O 3.12Å
71	N	95.7	Very high	97.3	Very high	147 Å²	147	61.3 Å²	61.3	79%	0.786	34%	0.337	S	S	*	.	S	Bend	trans	-93.6	-41	179.3	-65.5	-36.2	0	0	0	111.8	G69	G69-N71 VanDerWaalsContact C-N 3.28Å; G69-N71 PolarHBondContact O-N 3.3Å
72	V	97.7	Very high	97.4	Very high	64 Å²	64	63.9 Å²	63.9	39%	0.388	35%	0.349	S	S	.	.			trans	-156.3	137.3	-177.3	61.5	0	0	0	0	110.3	G69 R74	G69-V72 WeakPolarHBondContact CA-O 3.35Å; G69-V72 PolarHBondContact O-N 3.08Å; V72-R74 HydrophobicContact CG1-CG 4.21Å
73	I	98.3	Very high	97.5	Very high	90 Å²	90	67.3 Å²	67.3	46%	0.462	36%	0.361	S	S	.	.			trans	-86.6	112.7	171.9	-57.4	176.7	0	0	0	108.4	K78 F84 T86	I73-K78 HydrophobicContact CG2-CB 4.48Å; I73-K78 HydrophobicContact CG2-CD 4.04Å; I73-F84 HydrophobicContact CG1-CE1 4.24Å; I73-F84 HydrophobicContact CG1-CZ 4.5Å; I73-F84 HydrophobicContact CG2-CE1 4.2Å; I73-F84 HydrophobicContact CG2-CZ 4.11Å; I73-T86 HydrophobicContact CD1-CG2 4.11Å; I73-T86 HydrophobicContact CG1-CG2 4.37Å
74	R	98.1	Very high	97.6	Very high	123 Å²	123	65.9 Å²	65.9	46%	0.464	35%	0.345	S	S	.	.			trans	-96	113.2	172.4	-60	-176.8	-170	-84.4	0	109	D51 V72 K76 V77 K78	D51-R74 WeakPolarHBondContact O-CD 3.38Å; V72-R74 HydrophobicContact CG1-CG 4.21Å; R74-K76 VanDerWaalsContact C-N 3.3Å; R74-K76 PolarHBondContact O-N 3.36Å; R74-K76 VanDerWaalsContact O-N 3.17Å; R74-V77 HydrophobicContact CB-CB 4.1Å; R74-V77 HydrophobicContact CB-CG2 3.97Å; R74-V77 PolarHBondContact O-N 3.14Å; R74-K78 PolarHBondContact O-N 3.09Å
75	P	98	Very high	97.8	Very high	107 Å²	107	64.7 Å²	64.7	70%	0.695	34%	0.338	S	S	*	.	H	α-helix	trans	-54.1	-41.2	-172.2	-30.1	35.8	0	0	0	114.6	V77 K78 A79	P75-V77 PolarHBondContact O-N 3.14Å; P75-K78 PolarHBondContact O-N 3.42Å; P75-A79 VanDerWaalsContact O-CB 3.31Å; P75-A79 WeakPolarHBondContact O-CB 3.42Å; P75-A79 PolarHBondContact O-N 3.34Å
76	K	98	Very high	97.9	Very high	169 Å²	169	67.2 Å²	67.2	74%	0.735	35%	0.354	S	S	*	.	H	α-helix	trans	-64.3	-38.6	177.6	-70.4	-175.4	177.2	-178.4	0	113.1	M53 R74 I80	M53-K76 HydrophobicContact SD-CB 4.07Å; R74-K76 VanDerWaalsContact C-N 3.3Å; R74-K76 PolarHBondContact O-N 3.36Å; R74-K76 VanDerWaalsContact O-N 3.17Å; K76-I80 WeakPolarHBondContact O-CG2 3.27Å; K76-I80 PolarHBondContact O-N 3.18Å
77	V	98	Very high	97.9	Very high	3 Å²	3	69 Å²	69	2%	0.018	37%	0.366	C	S	.	.	H	α-helix	trans	-69.6	-47.2	177.7	177	0	0	0	0	109.2	M53 F65 R74 P75 A79 I80 S81 F84	M53-V77 HydrophobicContact CG-CG2 4.18Å; M53-V77 HydrophobicContact SD-CG2 3.82Å; F65-V77 HydrophobicContact CE1-CG1 4Å; F65-V77 HydrophobicContact CZ-CG1 3.8Å; R74-V77 HydrophobicContact CB-CB 4.1Å; R74-V77 HydrophobicContact CB-CG2 3.97Å; R74-V77 PolarHBondContact O-N 3.14Å; P75-V77 PolarHBondContact O-N 3.14Å; V77-A79 VanDerWaalsContact C-N 3.28Å; V77-A79 PolarHBondContact O-N 3.47Å; V77-I80 WeakPolarHBondContact O-CG2 3.44Å; V77-I80 PolarHBondContact O-N 2.92Å; V77-S81 PolarHBondContact O-N 3.46Å; V77-S81 VanDerWaalsContact O-N 3.14Å; V77-S81 PolarHBondContact O-OG 2.93Å; V77-F84 HydrophobicContact CG1-CE2 4.43Å
78	K	98.6	Very high	97.8	Very high	111 Å²	111	73 Å²	73	48%	0.483	39%	0.391	S	S	.	.	H	α-helix	trans	-56	-42.9	175.5	-177	173.1	-179.2	177.7	0	112.5	I73 R74 P75 I80 S81 F84	I73-K78 HydrophobicContact CG2-CB 4.48Å; I73-K78 HydrophobicContact CG2-CD 4.04Å; R74-K78 PolarHBondContact O-N 3.09Å; P75-K78 PolarHBondContact O-N 3.42Å; K78-I80 VanDerWaalsContact C-N 3.33Å; K78-I80 PolarHBondContact O-N 3.2Å; K78-S81 PolarHBondContact O-N 3.01Å; K78-F84 HydrophobicContact CB-CD2 3.79Å; K78-F84 HydrophobicContact CB-CE1 4.48Å; K78-F84 HydrophobicContact CB-CE2 3.72Å; K78-F84 HydrophobicContact CB-CG 4.21Å; K78-F84 HydrophobicContact CB-CZ 4.08Å; K78-F84 HydrophobicContact CD-CD1 4.14Å; K78-F84 HydrophobicContact CD-CE1 4.26Å; K78-F84 HydrophobicContact CD-CG 4.39Å; K78-F84 HydrophobicContact CG-CB 4.29Å; K78-F84 HydrophobicContact CG-CD1 4.07Å; K78-F84 HydrophobicContact CG-CD2 3.92Å; K78-F84 HydrophobicContact CG-CE1 4.37Å; K78-F84 HydrophobicContact CG-CE2 4.24Å; K78-F84 HydrophobicContact CG-CG 3.82Å; K78-F84 HydrophobicContact CG-CZ 4.45Å
79	A	98.3	Very high	97.8	Very high	91 Å²	91	77.7 Å²	77.7	75%	0.752	41%	0.413	S	S	*	.	H	α-helix	trans	-68.2	-27	-178.1	0	0	0	0	0	114.3	P75 V77	P75-A79 VanDerWaalsContact O-CB 3.31Å; P75-A79 WeakPolarHBondContact O-CB 3.42Å; P75-A79 PolarHBondContact O-N 3.34Å; V77-A79 VanDerWaalsContact C-N 3.28Å; V77-A79 PolarHBondContact O-N 3.47Å
80	I	97.2	Very high	97.8	Very high	96 Å²	96	81.5 Å²	81.5	49%	0.492	43%	0.43	S	S	.	.	H	α-helix	trans	-98.9	-4.4	-179.1	-160.1	167.3	0	0	0	113.2	A56 F65 K76 V77 K78	A56-I80 HydrophobicContact CB-CG2 3.76Å; F65-I80 HydrophobicContact CD1-CG2 4.39Å; F65-I80 HydrophobicContact CE1-CG2 4.09Å; K76-I80 WeakPolarHBondContact O-CG2 3.27Å; K76-I80 PolarHBondContact O-N 3.18Å; V77-I80 WeakPolarHBondContact O-CG2 3.44Å; V77-I80 PolarHBondContact O-N 2.92Å; K78-I80 VanDerWaalsContact C-N 3.33Å; K78-I80 PolarHBondContact O-N 3.2Å
81	S	98.3	Very high	97.7	Very high	19 Å²	19	79.3 Å²	79.3	13%	0.133	42%	0.415	C	S	.	.			trans	-80.2	139.6	-178.8	-51.4	0	0	0	0	111	F65 G67 V77 K78 Y83	F65-S81 VanDerWaalsContact CE1-OG 3.29Å; F65-S81 WeakPolarHBondContact CE1-OG 3.35Å; G67-S81 WeakPolarHBondContact CA-OG 3.32Å; G67-S81 PolarHBondContact N-OG 3.36Å; V77-S81 PolarHBondContact O-N 3.46Å; V77-S81 VanDerWaalsContact O-N 3.14Å; V77-S81 PolarHBondContact O-OG 2.93Å; K78-S81 PolarHBondContact O-N 3.01Å; S81-Y83 VanDerWaalsContact C-N 3.28Å; S81-Y83 WeakPolarHBondContact CB-O 3.42Å
82	D	97.1	Very high	97.7	Very high	94 Å²	94	75.7 Å²	75.7	50%	0.503	40%	0.396	S	S	.	.	S	Bend	trans	-65.8	-38.1	170.2	-60	-64	0	0	0	110.4	V64 F65	V64-D82 WeakPolarHBondContact CA-OD2 3.28Å; V64-D82 HydrophobicContact CG1-CB 4.01Å; F65-D82 PolarHBondContact N-OD2 3.43Å; F65-D82 PolarHBondContact O-N 3.02Å
83	Y	97.4	Very high	97.7	Very high	77 Å²	77	76 Å²	76	30%	0.302	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	150.8	172.1	-57.4	-82.9	0	0	0	110.2	V64 I66 G67 S81 L94 H98 M100	V64-Y83 HydrophobicContact CG1-CD2 3.96Å; V64-Y83 HydrophobicContact CG1-CE2 4.11Å; I66-Y83 CarbonylContact C-O 3.21Å; I66-Y83 VanDerWaalsContact CA-O 3.32Å; I66-Y83 WeakPolarHBondContact CA-O 3.22Å; I66-Y83 HydrophobicContact CG1-CD2 4.39Å; G67-Y83 PolarHBondContact N-O 3.31Å; S81-Y83 VanDerWaalsContact C-N 3.28Å; S81-Y83 WeakPolarHBondContact CB-O 3.42Å; Y83-L94 VanDerWaalsContact CB-CD2 3.5Å; Y83-L94 HydrophobicContact CD1-CD1 3.46Å; Y83-L94 VanDerWaalsContact CD1-CD1 3.46Å; Y83-L94 HydrophobicContact CD1-CD2 4.26Å; Y83-L94 HydrophobicContact CD1-CG 4.48Å; Y83-L94 HydrophobicContact CD2-CD1 4.49Å; Y83-L94 HydrophobicContact CD2-CD2 4.33Å; Y83-L94 HydrophobicContact CE1-CD1 3.82Å; Y83-L94 HydrophobicContact CG-CD1 3.83Å; Y83-L94 HydrophobicContact CG-CD2 3.79Å; Y83-L94 HydrophobicContact CG-CG 4.4Å; Y83-H98 PolarHBondContact OH-CE1 3.21Å; Y83-M100 HydrophobicContact CE2-CE 3.87Å
84	F	98.4	Very high	97.5	Very high	44 Å²	44	72.8 Å²	72.8	19%	0.193	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	122.1	178.1	-164.4	-92	0	0	0	111	G67 I73 V77 K78 T86	G67-F84 WeakPolarHBondContact O-CA 3.49Å; G67-F84 WeakPolarHBondContact O-CD2 3.35Å; I73-F84 HydrophobicContact CG1-CE1 4.24Å; I73-F84 HydrophobicContact CG1-CZ 4.5Å; I73-F84 HydrophobicContact CG2-CE1 4.2Å; I73-F84 HydrophobicContact CG2-CZ 4.11Å; V77-F84 HydrophobicContact CG1-CE2 4.43Å; K78-F84 HydrophobicContact CB-CD2 3.79Å; K78-F84 HydrophobicContact CB-CE1 4.48Å; K78-F84 HydrophobicContact CB-CE2 3.72Å; K78-F84 HydrophobicContact CB-CG 4.21Å; K78-F84 HydrophobicContact CB-CZ 4.08Å; K78-F84 HydrophobicContact CD-CD1 4.14Å; K78-F84 HydrophobicContact CD-CE1 4.26Å; K78-F84 HydrophobicContact CD-CG 4.39Å; K78-F84 HydrophobicContact CG-CB 4.29Å; K78-F84 HydrophobicContact CG-CD1 4.07Å; K78-F84 HydrophobicContact CG-CD2 3.92Å; K78-F84 HydrophobicContact CG-CE1 4.37Å; K78-F84 HydrophobicContact CG-CE2 4.24Å; K78-F84 HydrophobicContact CG-CG 3.82Å; K78-F84 HydrophobicContact CG-CZ 4.45Å; F84-T86 HydrophobicContact CD1-CG2 4.09Å; F84-T86 HydrophobicContact CE1-CG2 3.76Å
85	C	98.5	Very high	97.3	Very high	5 Å²	5	68 Å²	68	3%	0.034	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	137.4	178.8	-59.3	0	0	0	0	109.8	G67 F68 G69 E90 L91	G67-C85 PolarHBondContact O-N 3.31Å; F68-C85 CarbonylContact C-O 3.53Å; F68-C85 WeakPolarHBondContact CA-O 2.82Å; F68-C85 HydrophobicContact CD2-CB 4Å; F68-C85 HydrophobicContact CE2-CB 4.24Å; G69-C85 PolarHBondContact N-O 3.25Å; C85-E90 WeakPolarHBondContact CA-OE2 3.4Å; C85-E90 HydrophobicContact CB-CB 3.94Å; C85-L91 HydrophobicContact CB-CB 4.13Å
86	T	98.3	Very high	97	Very high	56 Å²	56	69.2 Å²	69.2	34%	0.344	36%	0.356	S	S	.	.	S	Bend	trans	-106.6	-5.4	176.8	58	0	0	0	0	112.8	V70 I73 F84 E90	V70-T86 WeakPolarHBondContact CA-O 3.12Å; I73-T86 HydrophobicContact CD1-CG2 4.11Å; I73-T86 HydrophobicContact CG1-CG2 4.37Å; F84-T86 HydrophobicContact CD1-CG2 4.09Å; F84-T86 HydrophobicContact CE1-CG2 3.76Å; T86-E90 PolarHBondContact N-OE2 2.82Å; T86-E90 PolarHBondContact OG1-OE1 3.07Å; T86-E90 PolarHBondContact OG1-OE2 3.39Å
87	S	98.1	Very high	96.6	Very high	37 Å²	37	67.3 Å²	67.3	26%	0.259	35%	0.354	S	S	.	.	S	Bend	trans	-140.4	159.6	173.5	75	0	0	0	0	111.5	F68 E89 E90 L91	F68-S87 WeakPolarHBondContact CE2-O 3.19Å; S87-E89 PolarHBondContact O-N 3.2Å; S87-E89 PolarHBondContact OG-N 3.15Å; S87-E90 PolarHBondContact O-N 2.94Å; S87-E90 WeakPolarHBondContact OG-CG 3.48Å; S87-E90 PolarHBondContact OG-N 3.1Å; S87-L91 PolarHBondContact O-N 3.47Å; S87-L91 VanDerWaalsContact O-N 3.16Å
88	V	96.6	Very high	95.8	Very high	85 Å²	85	71.7 Å²	71.7	52%	0.515	37%	0.374	S	S	.	.	H	α-helix	trans	-63.6	-33.7	173	177.8	0	0	0	0	110.8	F68 L91 I92	F68-V88 HydrophobicContact CZ-CG2 3.94Å; V88-L91 PolarHBondContact O-N 3.02Å; V88-I92 HydrophobicContact CG1-CD1 3.79Å; V88-I92 HydrophobicContact CG1-CG1 4.27Å; V88-I92 VanDerWaalsContact O-CG1 3.3Å; V88-I92 WeakPolarHBondContact O-CG1 3.07Å; V88-I92 PolarHBondContact O-N 3.05Å
89	E	97.7	Very high	94.8	Very high	138 Å²	138	74.7 Å²	74.7	65%	0.645	39%	0.387	S	S	*	.	H	α-helix	trans	-64.3	-45.1	177	-175.6	175.4	-175.5	0	0	111.7	S87 L91 I92 N93	S87-E89 PolarHBondContact O-N 3.2Å; S87-E89 PolarHBondContact OG-N 3.15Å; E89-L91 VanDerWaalsContact C-N 3.29Å; E89-L91 PolarHBondContact O-N 3.12Å; E89-I92 PolarHBondContact O-N 3.28Å; E89-N93 WeakPolarHBondContact O-CB 3.31Å; E89-N93 VanDerWaalsContact O-CG 3.25Å; E89-N93 PolarHBondContact O-N 3.49Å; E89-N93 PolarHBondContact O-ND2 3.29Å
90	E	97.9	Very high	93.6	Very high	86 Å²	86	73.4 Å²	73.4	40%	0.402	37%	0.367	S	S	.	.	H	α-helix	trans	-58.5	-42.4	173.2	-76.8	174	-172.4	0	0	111.5	C85 T86 S87 N93 L94	C85-E90 WeakPolarHBondContact CA-OE2 3.4Å; C85-E90 HydrophobicContact CB-CB 3.94Å; T86-E90 PolarHBondContact N-OE2 2.82Å; T86-E90 PolarHBondContact OG1-OE1 3.07Å; T86-E90 PolarHBondContact OG1-OE2 3.39Å; S87-E90 PolarHBondContact O-N 2.94Å; S87-E90 WeakPolarHBondContact OG-CG 3.48Å; S87-E90 PolarHBondContact OG-N 3.1Å; E90-N93 PolarHBondContact O-N 2.95Å; E90-L94 VanDerWaalsContact O-CB 3.25Å; E90-L94 WeakPolarHBondContact O-CB 3.41Å; E90-L94 PolarHBondContact O-N 2.93Å
91	L	96.6	Very high	92	Very high	23 Å²	23	73.4 Å²	73.4	12%	0.12	37%	0.367	C	S	.	.	H	α-helix	trans	-63.9	-46.4	177.6	179.4	62.4	0	0	0	111.7	I49 I66 F68 C85 S87 V88 E89 N93 L94 L95	I49-L91 HydrophobicContact CD1-CD1 4.1Å; I49-L91 HydrophobicContact CD1-CD2 4.31Å; I49-L91 HydrophobicContact CG2-CD2 4.36Å; I66-L91 HydrophobicContact CD1-CD1 4.02Å; I66-L91 HydrophobicContact CG2-CD1 4.04Å; F68-L91 HydrophobicContact CD2-CD2 4.43Å; F68-L91 HydrophobicContact CE2-CB 4.23Å; F68-L91 HydrophobicContact CE2-CD2 4.2Å; C85-L91 HydrophobicContact CB-CB 4.13Å; S87-L91 PolarHBondContact O-N 3.47Å; S87-L91 VanDerWaalsContact O-N 3.16Å; V88-L91 PolarHBondContact O-N 3.02Å; E89-L91 VanDerWaalsContact C-N 3.29Å; E89-L91 PolarHBondContact O-N 3.12Å; L91-N93 VanDerWaalsContact C-N 3.35Å; L91-N93 PolarHBondContact O-N 2.81Å; L91-L94 PolarHBondContact O-N 3.32Å; L91-L95 HydrophobicContact CD1-CD1 4.2Å; L91-L95 HydrophobicContact CD1-CG 4.26Å; L91-L95 HydrophobicContact CG-CD1 4.16Å; L91-L95 WeakPolarHBondContact O-CB 3.38Å; L91-L95 VanDerWaalsContact O-CG 3.23Å; L91-L95 WeakPolarHBondContact O-CG 3.2Å; L91-L95 PolarHBondContact O-N 3.14Å
92	I	95.5	Very high	90	Very high	72 Å²	72	83.7 Å²	83.7	37%	0.369	42%	0.419	S	S	.	.	H	α-helix	trans	-61.6	-44.9	177.7	-70.4	167.8	0	0	0	110.7	V88 E89 L95 K96	V88-I92 HydrophobicContact CG1-CD1 3.79Å; V88-I92 HydrophobicContact CG1-CG1 4.27Å; V88-I92 VanDerWaalsContact O-CG1 3.3Å; V88-I92 WeakPolarHBondContact O-CG1 3.07Å; V88-I92 PolarHBondContact O-N 3.05Å; E89-I92 PolarHBondContact O-N 3.28Å; I92-L95 PolarHBondContact O-N 3.42Å; I92-K96 HydrophobicContact CG2-CD 4.02Å; I92-K96 WeakPolarHBondContact O-CB 3.09Å; I92-K96 WeakPolarHBondContact O-CG 3.45Å; I92-K96 PolarHBondContact O-N 2.65Å
93	N	96	Very high	89.6	Confident	69 Å²	69	83.2 Å²	83.2	37%	0.369	42%	0.415	S	S	.	.	H	α-helix	trans	-64.9	-42.6	-179.9	-72.9	-20.9	0	0	0	111.5	E89 E90 L91 L95 K96 N97	E89-N93 WeakPolarHBondContact O-CB 3.31Å; E89-N93 VanDerWaalsContact O-CG 3.25Å; E89-N93 PolarHBondContact O-N 3.49Å; E89-N93 PolarHBondContact O-ND2 3.29Å; E90-N93 PolarHBondContact O-N 2.95Å; L91-N93 VanDerWaalsContact C-N 3.35Å; L91-N93 PolarHBondContact O-N 2.81Å; N93-L95 PolarHBondContact O-N 3.46Å; N93-K96 PolarHBondContact O-N 2.9Å; N93-N97 VanDerWaalsContact O-CB 3.27Å; N93-N97 WeakPolarHBondContact O-CB 3.42Å; N93-N97 PolarHBondContact O-N 3.13Å; N93-N97 PolarHBondContact O-ND2 3.12Å
94	L	94.7	Very high	89.2	Confident	23 Å²	23	83.5 Å²	83.5	12%	0.12	42%	0.421	C	S	.	.	H	α-helix	trans	-56.9	-50.8	174.1	177.3	69.8	0	0	0	111.1	I66 Y83 E90 L91 K96 N97 H98	I66-L94 HydrophobicContact CD1-CD2 3.65Å; I66-L94 HydrophobicContact CG1-CD2 4.29Å; I66-L94 HydrophobicContact CG2-CD2 4.16Å; Y83-L94 VanDerWaalsContact CB-CD2 3.5Å; Y83-L94 HydrophobicContact CD1-CD1 3.46Å; Y83-L94 VanDerWaalsContact CD1-CD1 3.46Å; Y83-L94 HydrophobicContact CD1-CD2 4.26Å; Y83-L94 HydrophobicContact CD1-CG 4.48Å; Y83-L94 HydrophobicContact CD2-CD1 4.49Å; Y83-L94 HydrophobicContact CD2-CD2 4.33Å; Y83-L94 HydrophobicContact CE1-CD1 3.82Å; Y83-L94 HydrophobicContact CG-CD1 3.83Å; Y83-L94 HydrophobicContact CG-CD2 3.79Å; Y83-L94 HydrophobicContact CG-CG 4.4Å; E90-L94 VanDerWaalsContact O-CB 3.25Å; E90-L94 WeakPolarHBondContact O-CB 3.41Å; E90-L94 PolarHBondContact O-N 2.93Å; L91-L94 PolarHBondContact O-N 3.32Å; L94-K96 VanDerWaalsContact C-N 3.34Å; L94-K96 PolarHBondContact O-N 2.96Å; L94-N97 PolarHBondContact O-N 2.66Å; L94-H98 PolarHBondContact O-CD2 2.89Å; L94-H98 PolarHBondContact O-N 3.47Å; L94-H98 VanDerWaalsContact O-N 3.13Å
95	L	93.4	Very high	88.7	Confident	23 Å²	23	85.7 Å²	85.7	12%	0.12	43%	0.434	C	S	.	.	H	α-helix	trans	-64.2	-36.9	-177.4	-70.3	175.8	0	0	0	113	M47 I66 L91 I92 N93 M100 L101	M47-L95 HydrophobicContact CE-CD2 3.76Å; M47-L95 HydrophobicContact SD-CD2 3.61Å; I66-L95 HydrophobicContact CD1-CD2 4.25Å; L91-L95 HydrophobicContact CD1-CD1 4.2Å; L91-L95 HydrophobicContact CD1-CG 4.26Å; L91-L95 HydrophobicContact CG-CD1 4.16Å; L91-L95 WeakPolarHBondContact O-CB 3.38Å; L91-L95 VanDerWaalsContact O-CG 3.23Å; L91-L95 WeakPolarHBondContact O-CG 3.2Å; L91-L95 PolarHBondContact O-N 3.14Å; I92-L95 PolarHBondContact O-N 3.42Å; N93-L95 PolarHBondContact O-N 3.46Å; L95-M100 HydrophobicContact CD2-CB 3.87Å; L95-M100 HydrophobicContact CD2-SD 4.25Å; L95-M100 PolarHBondContact O-N 2.88Å; L95-L101 HydrophobicContact CB-CD1 3.49Å; L95-L101 VanDerWaalsContact CB-CD1 3.49Å; L95-L101 HydrophobicContact CB-CG 3.8Å; L95-L101 HydrophobicContact CD1-CD1 3.94Å; L95-L101 HydrophobicContact CD1-CG 4.28Å; L95-L101 HydrophobicContact CG-CD1 4.34Å; L95-L101 PolarHBondContact O-N 2.94Å
96	K	92.8	Very high	88.1	Confident	132 Å²	132	90.5 Å²	90.5	57%	0.574	46%	0.458	S	S	*	.	H	α-helix	trans	-69.2	-49.1	175	-75.6	177.6	175.7	179.4	0	112.2	I92 N93 L94 H98 K99	I92-K96 HydrophobicContact CG2-CD 4.02Å; I92-K96 WeakPolarHBondContact O-CB 3.09Å; I92-K96 WeakPolarHBondContact O-CG 3.45Å; I92-K96 PolarHBondContact O-N 2.65Å; N93-K96 PolarHBondContact O-N 2.9Å; L94-K96 VanDerWaalsContact C-N 3.34Å; L94-K96 PolarHBondContact O-N 2.96Å; K96-H98 VanDerWaalsContact C-N 3.3Å; K96-H98 PolarHBondContact O-N 3.18Å; K96-K99 PolarHBondContact O-N 3.1Å; K96-K99 VanDerWaalsContact O-N 3.08Å
97	N	89.4	Confident	87.5	Confident	130 Å²	130	92.6 Å²	92.6	70%	0.695	47%	0.465	S	S	*	.	H	α-helix	trans	-67.9	-31	-172.5	-70.4	-18.7	0	0	0	112.7	N93 L94 K99	N93-N97 VanDerWaalsContact O-CB 3.27Å; N93-N97 WeakPolarHBondContact O-CB 3.42Å; N93-N97 PolarHBondContact O-N 3.13Å; N93-N97 PolarHBondContact O-ND2 3.12Å; L94-N97 PolarHBondContact O-N 2.66Å; N97-K99 VanDerWaalsContact C-N 3.33Å
98	H	82.3	Confident	86.8	Confident	95 Å²	95	96.3 Å²	96.3	44%	0.44	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	7.6	176	-73.8	-89	0	0	0	113.7	Y83 L94 K96 M100	Y83-H98 PolarHBondContact OH-CE1 3.21Å; L94-H98 PolarHBondContact O-CD2 2.89Å; L94-H98 PolarHBondContact O-N 3.47Å; L94-H98 VanDerWaalsContact O-N 3.13Å; K96-H98 VanDerWaalsContact C-N 3.3Å; K96-H98 PolarHBondContact O-N 3.18Å; H98-M100 HydrophobicContact CB-CE 3.82Å; H98-M100 HydrophobicContact CB-CG 3.7Å; H98-M100 HydrophobicContact CB-SD 3.62Å; H98-M100 PolarHBondContact O-N 3.32Å; H98-M100 VanDerWaalsContact O-N 3.12Å
99	K	76.5	Confident	86.1	Confident	173 Å²	173	97.1 Å²	97.1	75%	0.752	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	34.8	-174.8	-57.7	-179.2	178.4	-179.4	0	112.2	K96 N97	K96-K99 PolarHBondContact O-N 3.1Å; K96-K99 VanDerWaalsContact O-N 3.08Å; N97-K99 VanDerWaalsContact C-N 3.33Å
100	M	73.9	Confident	85.2	Confident	65 Å²	65	94 Å²	94	32%	0.32	46%	0.463	S	S	.	.			trans	-82.7	-23.8	177.4	-68.4	167.2	164.3	0	0	111.2	M47 Y83 L95 H98	M47-M100 HydrophobicContact CE-CB 3.84Å; M47-M100 HydrophobicContact CE-CE 4.02Å; M47-M100 HydrophobicContact CE-CG 3.78Å; M47-M100 HydrophobicContact CE-SD 3.27Å; M47-M100 WeakPolarHBondContact CE-SD 3.49Å; Y83-M100 HydrophobicContact CE2-CE 3.87Å; L95-M100 HydrophobicContact CD2-CB 3.87Å; L95-M100 HydrophobicContact CD2-SD 4.25Å; L95-M100 PolarHBondContact O-N 2.88Å; H98-M100 HydrophobicContact CB-CE 3.82Å; H98-M100 HydrophobicContact CB-CG 3.7Å; H98-M100 HydrophobicContact CB-SD 3.62Å; H98-M100 PolarHBondContact O-N 3.32Å; H98-M100 VanDerWaalsContact O-N 3.12Å
101	L	62.3	Low	84.1	Confident	96 Å²	96	94.7 Å²	94.7	50%	0.503	47%	0.468	S	S	.	.			trans	-94.5	114.2	157.1	-69.1	163	0	0	0	106.9	L95	L95-L101 HydrophobicContact CB-CD1 3.49Å; L95-L101 VanDerWaalsContact CB-CD1 3.49Å; L95-L101 HydrophobicContact CB-CG 3.8Å; L95-L101 HydrophobicContact CD1-CD1 3.94Å; L95-L101 HydrophobicContact CD1-CG 4.28Å; L95-L101 HydrophobicContact CG-CD1 4.34Å; L95-L101 PolarHBondContact O-N 2.94Å
102	L	56.1	Low	83	Confident	235 Å²	235	101.2 Å²	101.2	100%	1.23	50%	0.499	S	S	*	.			trans	-71.9	0	162.7	-70.2	172.1	0	0	0	109.6

Retrieved 102 of 102 residues in 50.4 ms (Link to these results)

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