G4VFB1_SCHMA Loading...

Cytochrome c oxidase subunit 6A1, mitochondrial

AlphaFold DB , UniProt , Accession G4VFB1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 111 aa.

						>G4VFB1_SCHMA|G4VFB1
MLKVSGLSVVSRRSYGLWGFTHPREGPGVRLFHKTLLILGAPVGILAVHFAFKNEHHHEEEMKENKPFISVYPREIRKLHWGDGKTYFTDHFSKTINYTPRATSPIPKSAD
					

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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	40.8	Very low	46.7	Very low	249 Å²	249	119.3 Å²	119.3	100%	1.227	68%	0.677	S	S	*	*				0	92.3	0	-82.8	168.9	133.6	0	0	109	K3	M1-K3 PolarHBondContact O-N 3.33Å
2	L	40.9	Very low	46.9	Very low	170 Å²	170	127.1 Å²	127.1	89%	0.89	69%	0.687	S	S	*	*			trans	-84.6	110.8	175.8	-89.4	149.6	0	0	0	108.5	V4	L2-V4 PolarHBondContact O-N 3.35Å
3	K	42.3	Very low	47.1	Very low	211 Å²	211	133.5 Å²	133.5	92%	0.917	70%	0.695	S	S	*	*			trans	-62.5	96.9	172.4	-110.7	174.7	173.2	174.4	0	108.3	M1 S5	M1-K3 PolarHBondContact O-N 3.33Å; K3-S5 PolarHBondContact O-N 3.12Å
4	V	46	Very low	47.3	Very low	110 Å²	110	127.8 Å²	127.8	67%	0.667	67%	0.673	S	S	*	*			trans	-74.5	107.7	171.4	-175.7	0	0	0	0	107.1	L2 S8	L2-V4 PolarHBondContact O-N 3.35Å; V4-S8 WeakPolarHBondContact CG1-OG 3.3Å
5	S	49.7	Very low	47.3	Very low	81 Å²	81	131.5 Å²	131.5	57%	0.566	68%	0.676	S	S	*	*			trans	-63.6	137.3	177.1	55.7	0	0	0	0	110.3	K3 L7 S8	K3-S5 PolarHBondContact O-N 3.12Å; S5-L7 PolarHBondContact O-N 3.25Å; S5-S8 PolarHBondContact O-N 2.69Å; S5-S8 VanDerWaalsContact O-N 3.1Å; S5-S8 PolarHBondContact O-OG 3.46Å
6	G	52.4	Low	47.3	Very low	54 Å²	54	126 Å²	126	56%	0.557	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-11.4	-174.4	0	0	0	0	0	115.5	V9 V10	G6-V9 PolarHBondContact O-N 2.69Å; G6-V10 PolarHBondContact O-N 3.4Å
7	L	47.3	Very low	47.3	Very low	149 Å²	149	126.4 Å²	126.4	78%	0.78	66%	0.664	S	S	*	*	H	α-helix	trans	-66.2	-31.4	173.2	-94.5	127	0	0	0	113.5	S5 V9 S11	S5-L7 PolarHBondContact O-N 3.25Å; L7-V9 VanDerWaalsContact C-N 3.29Å; L7-V9 PolarHBondContact O-N 2.68Å; L7-S11 PolarHBondContact O-N 2.98Å; L7-S11 PolarHBondContact O-OG 3Å
8	S	48.4	Very low	47.1	Very low	50 Å²	50	130 Å²	130	35%	0.35	67%	0.667	S	S	.	*	H	α-helix	trans	-75.3	-19.1	178.5	73.9	0	0	0	0	113.6	V4 S5 S11 R12	V4-S8 WeakPolarHBondContact CG1-OG 3.3Å; S5-S8 PolarHBondContact O-N 2.69Å; S5-S8 VanDerWaalsContact O-N 3.1Å; S5-S8 PolarHBondContact O-OG 3.46Å; S8-S11 PolarHBondContact O-OG 3.17Å; S8-S11 VanDerWaalsContact O-OG 3.11Å; S8-R12 PolarHBondContact O-N 3.29Å
9	V	48.7	Very low	46.9	Very low	85 Å²	85	126.1 Å²	126.1	52%	0.515	66%	0.662	S	S	.	*	H	α-helix	trans	-84.2	-33.5	178.2	-177.7	0	0	0	0	110.7	G6 L7 R12 R13	G6-V9 PolarHBondContact O-N 2.69Å; L7-V9 VanDerWaalsContact C-N 3.29Å; L7-V9 PolarHBondContact O-N 2.68Å; V9-R12 PolarHBondContact O-N 2.93Å; V9-R13 PolarHBondContact O-N 2.73Å
10	V	50.9	Low	46.8	Very low	102 Å²	102	129.5 Å²	129.5	62%	0.618	67%	0.671	S	S	*	*	H	α-helix	trans	-71.2	-38.6	175.7	179.4	0	0	0	0	111.2	G6 R12 R13 S14	G6-V10 PolarHBondContact O-N 3.4Å; V10-R12 PolarHBondContact O-N 3.13Å; V10-R13 PolarHBondContact O-N 3.28Å; V10-S14 PolarHBondContact O-N 2.95Å; V10-S14 PolarHBondContact O-OG 3.49Å
11	S	46.5	Very low	46.8	Very low	51 Å²	51	128 Å²	128	36%	0.357	67%	0.668	S	S	.	*	H	α-helix	trans	-65.5	-36.9	174.2	59.8	0	0	0	0	112.2	L7 S8 R13 S14 Y15	L7-S11 PolarHBondContact O-N 2.98Å; L7-S11 PolarHBondContact O-OG 3Å; S8-S11 PolarHBondContact O-OG 3.17Å; S8-S11 VanDerWaalsContact O-OG 3.11Å; S11-R13 VanDerWaalsContact C-N 3.29Å; S11-R13 PolarHBondContact O-N 3.02Å; S11-S14 PolarHBondContact O-N 2.9Å; S11-S14 PolarHBondContact O-OG 3.31Å; S11-Y15 WeakPolarHBondContact O-CD2 3.35Å; S11-Y15 PolarHBondContact O-N 3.48Å
12	R	49.1	Very low	47.1	Very low	213 Å²	213	122.5 Å²	122.5	80%	0.804	64%	0.639	S	S	*	*	H	α-helix	trans	-64.2	-30	175.2	-84.4	-177.3	171.7	-174.8	-0.3	114.2	S8 V9 V10	S8-R12 PolarHBondContact O-N 3.29Å; V9-R12 PolarHBondContact O-N 2.93Å; V10-R12 PolarHBondContact O-N 3.13Å
13	R	49.2	Very low	47.6	Very low	210 Å²	210	120 Å²	120	79%	0.792	63%	0.633	S	S	*	*	H	α-helix	trans	-79.4	-33.9	178.6	-83.9	-174.4	172.8	178.4	-2.1	113.6	V9 V10 S11	V9-R13 PolarHBondContact O-N 2.73Å; V10-R13 PolarHBondContact O-N 3.28Å; S11-R13 VanDerWaalsContact C-N 3.29Å; S11-R13 PolarHBondContact O-N 3.02Å
14	S	49.9	Very low	48.3	Very low	54 Å²	54	121 Å²	121	38%	0.378	63%	0.631	S	S	.	*	H	α-helix	trans	-77.1	-30	177.7	46.4	0	0	0	0	113.1	V10 S11 G16 L17 W18	V10-S14 PolarHBondContact O-N 2.95Å; V10-S14 PolarHBondContact O-OG 3.49Å; S11-S14 PolarHBondContact O-N 2.9Å; S11-S14 PolarHBondContact O-OG 3.31Å; S14-G16 VanDerWaalsContact C-N 3.28Å; S14-G16 PolarHBondContact O-N 3.19Å; S14-L17 PolarHBondContact O-N 3.25Å; S14-W18 VanDerWaalsContact O-CD1 3.27Å; S14-W18 PolarHBondContact O-N 2.79Å
15	Y	47.4	Very low	48.9	Very low	183 Å²	183	120.2 Å²	120.2	72%	0.718	62%	0.62	S	S	*	*	H	α-helix	trans	-69.5	-25.6	174.1	-80.1	-111.4	0	0	0	112.7	S11 G19	S11-Y15 WeakPolarHBondContact O-CD2 3.35Å; S11-Y15 PolarHBondContact O-N 3.48Å; Y15-G19 PolarHBondContact O-N 3.43Å; Y15-G19 VanDerWaalsContact O-N 3.12Å
16	G	46.9	Very low	49.6	Very low	44 Å²	44	117.9 Å²	117.9	45%	0.454	61%	0.608	S	S	.	*	H	α-helix	trans	-71.5	-30.5	174.6	0	0	0	0	0	113.9	S14	S14-G16 VanDerWaalsContact C-N 3.28Å; S14-G16 PolarHBondContact O-N 3.19Å
17	L	47.2	Very low	50.6	Low	132 Å²	132	121 Å²	121	69%	0.691	62%	0.619	S	S	*	*	H	α-helix	trans	-82.9	-36.5	176.8	-113	88.9	0	0	0	112.5	S14 G19 F20	S14-L17 PolarHBondContact O-N 3.25Å; L17-G19 VanDerWaalsContact C-N 3.29Å; L17-F20 PolarHBondContact O-N 3.47Å
18	W	44.5	Very low	51.8	Low	192 Å²	192	116.2 Å²	116.2	73%	0.727	61%	0.606	S	S	*	*	H	α-helix	trans	-72.7	-23.4	175.6	-78.7	61.5	0	0	0	112.8	S14 F20	S14-W18 VanDerWaalsContact O-CD1 3.27Å; S14-W18 PolarHBondContact O-N 2.79Å; W18-F20 VanDerWaalsContact C-N 3.3Å; W18-F20 PolarHBondContact O-N 3.23Å
19	G	42.8	Very low	53	Low	55 Å²	55	117.1 Å²	117.1	57%	0.567	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-11.4	175	0	0	0	0	0	115.2	Y15 L17	Y15-G19 PolarHBondContact O-N 3.43Å; Y15-G19 VanDerWaalsContact O-N 3.12Å; L17-G19 VanDerWaalsContact C-N 3.29Å
20	F	45.5	Very low	54.2	Low	194 Å²	194	119.6 Å²	119.6	85%	0.851	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	-16	-179.1	-105.3	-86.9	0	0	0	114	L17 W18	L17-F20 PolarHBondContact O-N 3.47Å; W18-F20 VanDerWaalsContact C-N 3.3Å; W18-F20 PolarHBondContact O-N 3.23Å
21	T	45.7	Very low	55.6	Low	100 Å²	100	120.4 Å²	120.4	61%	0.613	61%	0.609	S	S	*	*	S	Bend	trans	-97.4	-6.6	-178.5	50.6	0	0	0	0	113.9
22	H	47.5	Very low	57	Low	133 Å²	133	123.9 Å²	123.9	62%	0.616	62%	0.619	S	S	*	*	S	Bend	trans	-114.6	108	166.8	-72.8	-12.5	0	0	0	108.1	R24	H22-R24 PolarHBondContact O-N 3.24Å
23	P	51.9	Low	58.4	Low	116 Å²	116	117.6 Å²	117.6	75%	0.753	60%	0.598	S	S	*	*			trans	-54.4	120.4	168.4	24	-30.4	0	0	0	105.5	E25	P23-E25 WeakPolarHBondContact O-CA 3.43Å; P23-E25 PolarHBondContact O-N 3.21Å
24	R	56.2	Low	59.9	Low	234 Å²	234	114.2 Å²	114.2	88%	0.883	59%	0.589	S	S	*	*			trans	-42.8	107.1	177.3	-124.6	178.1	174.7	160.3	-3.3	106.4	H22 G26	H22-R24 PolarHBondContact O-N 3.24Å; R24-G26 PolarHBondContact O-N 3.11Å
25	E	59.7	Low	61.3	Low	93 Å²	93	114.6 Å²	114.6	44%	0.435	59%	0.589	S	S	.	*			trans	-53	116.6	-171.4	-73.9	177.9	-169.9	0	0	107.5	P23 V29 R30 H33	P23-E25 WeakPolarHBondContact O-CA 3.43Å; P23-E25 PolarHBondContact O-N 3.21Å; E25-V29 HydrophobicContact CB-CB 4.14Å; E25-V29 HydrophobicContact CB-CG1 4.15Å; E25-V29 HydrophobicContact CG-CG1 3.97Å; E25-R30 HydrophobicContact CB-CG 3.79Å; E25-R30 PolarHBondContact O-NE 2.93Å; E25-R30 VanDerWaalsContact O-NE 3.16Å; E25-R30 WeakPolarHBondContact OE2-CG 3.48Å; E25-H33 IonicContact OE2-CD2 3.32Å
26	G	64.7	Low	62.8	Low	31 Å²	31	110.2 Å²	110.2	32%	0.32	58%	0.578	S	S	.	*			trans	-55.8	154.5	177.2	0	0	0	0	0	109	R24 G28 V29 R30	R24-G26 PolarHBondContact O-N 3.11Å; G26-G28 PolarHBondContact O-N 2.84Å; G26-V29 PolarHBondContact O-N 3.33Å; G26-R30 PolarHBondContact O-N 3.15Å; G26-R30 VanDerWaalsContact O-N 3.17Å
27	P	72.7	Confident	64.4	Low	119 Å²	119	114 Å²	114	77%	0.773	59%	0.587	S	S	*	*	H	α-helix	trans	-52.3	-32.8	-179.8	20.6	-32	0	0	0	112.4	L31	P27-L31 WeakPolarHBondContact O-CB 3.36Å; P27-L31 PolarHBondContact O-N 3.1Å
28	G	73	Confident	66.1	Low	50 Å²	50	113.4 Å²	113.4	52%	0.515	58%	0.583	S	S	.	*	H	α-helix	trans	-65.8	-39	173.9	0	0	0	0	0	114.9	G26 L31 F32	G26-G28 PolarHBondContact O-N 2.84Å; G28-L31 PolarHBondContact O-N 3.06Å; G28-F32 WeakPolarHBondContact O-CB 3.39Å; G28-F32 PolarHBondContact O-N 3.32Å
29	V	73.6	Confident	67.9	Low	68 Å²	68	109.8 Å²	109.8	41%	0.412	58%	0.577	S	S	.	*	H	α-helix	trans	-69.3	-41	178.3	179.5	0	0	0	0	110.5	E25 G26 L31 F32 H33	E25-V29 HydrophobicContact CB-CB 4.14Å; E25-V29 HydrophobicContact CB-CG1 4.15Å; E25-V29 HydrophobicContact CG-CG1 3.97Å; G26-V29 PolarHBondContact O-N 3.33Å; V29-L31 VanDerWaalsContact C-N 3.34Å; V29-L31 PolarHBondContact O-N 3.14Å; V29-F32 PolarHBondContact O-N 2.91Å; V29-H33 PolarHBondContact O-CD2 2.78Å; V29-H33 PolarHBondContact O-N 3.37Å
30	R	73.6	Confident	69.8	Low	137 Å²	137	108.6 Å²	108.6	52%	0.517	57%	0.566	S	S	.	*	H	α-helix	trans	-63.1	-40.7	173.7	-66.7	-174.3	-155.8	-177	3.9	112.2	E25 G26 K34	E25-R30 HydrophobicContact CB-CG 3.79Å; E25-R30 PolarHBondContact O-NE 2.93Å; E25-R30 VanDerWaalsContact O-NE 3.16Å; E25-R30 WeakPolarHBondContact OE2-CG 3.48Å; G26-R30 PolarHBondContact O-N 3.15Å; G26-R30 VanDerWaalsContact O-N 3.17Å; R30-K34 WeakPolarHBondContact O-CB 3.47Å; R30-K34 WeakPolarHBondContact O-CG 3.41Å; R30-K34 PolarHBondContact O-N 3.04Å
31	L	79.2	Confident	71.6	Confident	119 Å²	119	101.4 Å²	101.4	62%	0.623	54%	0.542	S	S	*	.	H	α-helix	trans	-62.7	-45.8	175.4	-164.9	86.6	0	0	0	110.3	P27 G28 V29 K34 T35	P27-L31 WeakPolarHBondContact O-CB 3.36Å; P27-L31 PolarHBondContact O-N 3.1Å; G28-L31 PolarHBondContact O-N 3.06Å; V29-L31 VanDerWaalsContact C-N 3.34Å; V29-L31 PolarHBondContact O-N 3.14Å; L31-K34 WeakPolarHBondContact O-CB 3.05Å; L31-K34 PolarHBondContact O-N 3.3Å; L31-T35 PolarHBondContact O-N 3.37Å; L31-T35 PolarHBondContact O-OG1 3.09Å
32	F	77.6	Confident	73.6	Confident	125 Å²	125	99.6 Å²	99.6	55%	0.548	53%	0.532	S	S	.	.	H	α-helix	trans	-60	-47.5	177.8	-178.3	-99.9	0	0	0	112.2	G28 V29 K34 T35 L36	G28-F32 WeakPolarHBondContact O-CB 3.39Å; G28-F32 PolarHBondContact O-N 3.32Å; V29-F32 PolarHBondContact O-N 2.91Å; F32-K34 VanDerWaalsContact C-N 3.34Å; F32-K34 PolarHBondContact O-N 3.46Å; F32-T35 VanDerWaalsContact CA-OG1 3.3Å; F32-T35 WeakPolarHBondContact CA-OG1 3.33Å; F32-T35 PolarHBondContact O-N 2.79Å; F32-T35 PolarHBondContact O-OG1 2.96Å; F32-L36 HydrophobicContact CE1-CD2 4.46Å; F32-L36 WeakPolarHBondContact O-CB 3.31Å; F32-L36 PolarHBondContact O-N 3.1Å
33	H	78.2	Confident	75.6	Confident	81 Å²	81	97.7 Å²	97.7	38%	0.375	53%	0.529	S	S	.	.	H	α-helix	trans	-61.3	-41.5	175.4	-79.5	-47.3	0	0	0	112.3	E25 V29 L36 L37	E25-H33 IonicContact OE2-CD2 3.32Å; V29-H33 PolarHBondContact O-CD2 2.78Å; V29-H33 PolarHBondContact O-N 3.37Å; H33-L36 PolarHBondContact O-N 3.42Å; H33-L37 WeakPolarHBondContact O-CB 3.48Å; H33-L37 VanDerWaalsContact O-CG 3.32Å; H33-L37 WeakPolarHBondContact O-CG 3.47Å; H33-L37 PolarHBondContact O-N 3.02Å
34	K	79.3	Confident	77.3	Confident	139 Å²	139	93.7 Å²	93.7	60%	0.604	51%	0.509	S	S	*	.	H	α-helix	trans	-60.9	-45.6	173.8	-76.6	-178.4	176.3	-171.8	0	111.7	R30 L31 F32 L36 L37 I38	R30-K34 WeakPolarHBondContact O-CB 3.47Å; R30-K34 WeakPolarHBondContact O-CG 3.41Å; R30-K34 PolarHBondContact O-N 3.04Å; L31-K34 WeakPolarHBondContact O-CB 3.05Å; L31-K34 PolarHBondContact O-N 3.3Å; F32-K34 VanDerWaalsContact C-N 3.34Å; F32-K34 PolarHBondContact O-N 3.46Å; K34-L36 PolarHBondContact O-N 2.87Å; K34-L37 PolarHBondContact O-N 3.18Å; K34-I38 WeakPolarHBondContact O-CB 3.35Å; K34-I38 WeakPolarHBondContact O-CD1 3.32Å; K34-I38 WeakPolarHBondContact O-CG1 3.18Å; K34-I38 PolarHBondContact O-N 2.9Å
35	T	79.3	Confident	79	Confident	61 Å²	61	88.2 Å²	88.2	37%	0.374	50%	0.496	S	S	.	.	H	α-helix	trans	-65.1	-38.8	177.5	48.9	0	0	0	0	112.3	L31 F32 I38 L39	L31-T35 PolarHBondContact O-N 3.37Å; L31-T35 PolarHBondContact O-OG1 3.09Å; F32-T35 VanDerWaalsContact CA-OG1 3.3Å; F32-T35 WeakPolarHBondContact CA-OG1 3.33Å; F32-T35 PolarHBondContact O-N 2.79Å; F32-T35 PolarHBondContact O-OG1 2.96Å; T35-I38 PolarHBondContact O-N 3.36Å; T35-L39 WeakPolarHBondContact O-CB 3.4Å; T35-L39 PolarHBondContact O-N 3.18Å
36	L	80.7	Confident	80.5	Confident	91 Å²	91	88.4 Å²	88.4	48%	0.476	50%	0.5	S	S	.	.	I	π-helix	trans	-65.9	-39.1	177.3	-172.8	70	0	0	0	111.5	F32 H33 K34 G40 A41	F32-L36 HydrophobicContact CE1-CD2 4.46Å; F32-L36 WeakPolarHBondContact O-CB 3.31Å; F32-L36 PolarHBondContact O-N 3.1Å; H33-L36 PolarHBondContact O-N 3.42Å; K34-L36 PolarHBondContact O-N 2.87Å; L36-G40 CarbonylContact O-C 3.5Å; L36-G40 WeakPolarHBondContact O-CA 3.44Å; L36-G40 PolarHBondContact O-N 3.45Å; L36-A41 PolarHBondContact O-N 2.89Å; L36-A41 VanDerWaalsContact O-N 3.16Å
37	L	79.1	Confident	81.8	Confident	125 Å²	125	89.7 Å²	89.7	65%	0.654	51%	0.507	S	S	*	.	I	π-helix	trans	-72.4	-40	176.4	-71.3	171.8	0	0	0	112.2	H33 K34 A41	H33-L37 WeakPolarHBondContact O-CB 3.48Å; H33-L37 VanDerWaalsContact O-CG 3.32Å; H33-L37 WeakPolarHBondContact O-CG 3.47Å; H33-L37 PolarHBondContact O-N 3.02Å; K34-L37 PolarHBondContact O-N 3.18Å; L37-A41 WeakPolarHBondContact O-CB 3.14Å
38	I	82.6	Confident	82.7	Confident	119 Å²	119	87.8 Å²	87.8	61%	0.61	49%	0.493	S	S	*	.	I	π-helix	trans	-73.8	-40.6	-178.2	-67.8	165.4	0	0	0	111.6	K34 T35 P42	K34-I38 WeakPolarHBondContact O-CB 3.35Å; K34-I38 WeakPolarHBondContact O-CD1 3.32Å; K34-I38 WeakPolarHBondContact O-CG1 3.18Å; K34-I38 PolarHBondContact O-N 2.9Å; T35-I38 PolarHBondContact O-N 3.36Å; I38-P42 VanDerWaalsContact O-CD 3.23Å; I38-P42 WeakPolarHBondContact O-CD 3.3Å; I38-P42 WeakPolarHBondContact O-CG 3.5Å
39	L	82.7	Confident	83.5	Confident	115 Å²	115	91 Å²	91	60%	0.602	50%	0.495	S	S	*	.	I	π-helix	trans	-103.1	-45.9	-175.7	-65.2	169.5	0	0	0	112.1	T35 P42 V43	T35-L39 WeakPolarHBondContact O-CB 3.4Å; T35-L39 PolarHBondContact O-N 3.18Å; L39-P42 WeakPolarHBondContact O-CD 3.29Å; L39-V43 WeakPolarHBondContact O-CB 3.23Å; L39-V43 WeakPolarHBondContact O-CG2 3.45Å; L39-V43 PolarHBondContact O-N 3.35Å; L39-V43 VanDerWaalsContact O-N 3.16Å
40	G	82.7	Confident	84.3	Confident	31 Å²	31	93.5 Å²	93.5	32%	0.32	50%	0.5	S	S	.	.	I	π-helix	trans	-67.9	-41.5	-175.2	0	0	0	0	0	112.9	L36 G44	L36-G40 CarbonylContact O-C 3.5Å; L36-G40 WeakPolarHBondContact O-CA 3.44Å; L36-G40 PolarHBondContact O-N 3.45Å; G40-G44 PolarHBondContact O-N 3.34Å
41	A	83.5	Confident	84.9	Confident	43 Å²	43	89.5 Å²	89.5	36%	0.355	50%	0.496	S	S	.	.	H	α-helix	trans	-66.2	-47.8	-179.9	0	0	0	0	0	112.6	L36 L37 V43 G44 I45	L36-A41 PolarHBondContact O-N 2.89Å; L36-A41 VanDerWaalsContact O-N 3.16Å; L37-A41 WeakPolarHBondContact O-CB 3.14Å; A41-V43 PolarHBondContact O-N 2.9Å; A41-G44 PolarHBondContact O-N 3.47Å; A41-I45 VanDerWaalsContact O-CG1 3.24Å; A41-I45 WeakPolarHBondContact O-CG1 3.13Å; A41-I45 PolarHBondContact O-N 3.08Å
42	P	87.4	Confident	85.2	Confident	61 Å²	61	90.2 Å²	90.2	40%	0.396	50%	0.495	S	S	.	.	H	α-helix	trans	-62.3	-41	175.3	-26.9	38	0	0	0	113.5	I38 L39 I45 L46	I38-P42 VanDerWaalsContact O-CD 3.23Å; I38-P42 WeakPolarHBondContact O-CD 3.3Å; I38-P42 WeakPolarHBondContact O-CG 3.5Å; L39-P42 WeakPolarHBondContact O-CD 3.29Å; P42-I45 PolarHBondContact O-N 3.45Å; P42-L46 WeakPolarHBondContact O-CB 3.17Å; P42-L46 VanDerWaalsContact O-CG 3.29Å; P42-L46 WeakPolarHBondContact O-CG 3.38Å; P42-L46 PolarHBondContact O-N 3.12Å
43	V	90.1	Very high	85.5	Confident	93 Å²	93	91 Å²	91	56%	0.564	50%	0.498	S	S	*	.	H	α-helix	trans	-65	-41.6	177.2	172.8	0	0	0	0	111	L39 A41 L46 A47	L39-V43 WeakPolarHBondContact O-CB 3.23Å; L39-V43 WeakPolarHBondContact O-CG2 3.45Å; L39-V43 PolarHBondContact O-N 3.35Å; L39-V43 VanDerWaalsContact O-N 3.16Å; A41-V43 PolarHBondContact O-N 2.9Å; V43-L46 PolarHBondContact O-N 3.29Å; V43-A47 WeakPolarHBondContact O-CB 3.46Å; V43-A47 PolarHBondContact O-N 3.43Å
44	G	88.4	Confident	85.8	Confident	33 Å²	33	92 Å²	92	34%	0.34	51%	0.506	S	S	.	.	H	α-helix	trans	-62.3	-44.4	175.5	0	0	0	0	0	112.5	G40 A41 A47 V48	G40-G44 PolarHBondContact O-N 3.34Å; A41-G44 PolarHBondContact O-N 3.47Å; G44-A47 PolarHBondContact O-N 3.24Å; G44-V48 WeakPolarHBondContact O-CB 3.47Å; G44-V48 VanDerWaalsContact O-CG2 3.28Å; G44-V48 WeakPolarHBondContact O-CG2 3.24Å; G44-V48 PolarHBondContact O-N 2.64Å
45	I	90.9	Very high	85.8	Confident	119 Å²	119	91.2 Å²	91.2	61%	0.61	51%	0.505	S	S	*	.	H	α-helix	trans	-62.7	-44.5	176.4	-67.6	164.1	0	0	0	110.7	A41 P42 V48 H49	A41-I45 VanDerWaalsContact O-CG1 3.24Å; A41-I45 WeakPolarHBondContact O-CG1 3.13Å; A41-I45 PolarHBondContact O-N 3.08Å; P42-I45 PolarHBondContact O-N 3.45Å; I45-V48 PolarHBondContact O-N 3.5Å; I45-H49 WeakPolarHBondContact O-CB 3.23Å; I45-H49 PolarHBondContact O-N 2.87Å
46	L	92	Very high	85.8	Confident	97 Å²	97	93.6 Å²	93.6	51%	0.508	51%	0.511	S	S	.	.	H	α-helix	trans	-61.8	-46	176.4	-73.9	170.5	0	0	0	111.4	P42 V43 V48 H49 F50	P42-L46 WeakPolarHBondContact O-CB 3.17Å; P42-L46 VanDerWaalsContact O-CG 3.29Å; P42-L46 WeakPolarHBondContact O-CG 3.38Å; P42-L46 PolarHBondContact O-N 3.12Å; V43-L46 PolarHBondContact O-N 3.29Å; L46-V48 VanDerWaalsContact C-N 3.35Å; L46-V48 PolarHBondContact O-N 2.94Å; L46-H49 WeakPolarHBondContact O-CB 3.35Å; L46-H49 PolarHBondContact O-N 3.14Å; L46-F50 WeakPolarHBondContact O-CD2 3.42Å; L46-F50 PolarHBondContact O-N 2.83Å
47	A	92	Very high	85.6	Confident	57 Å²	57	94.3 Å²	94.3	47%	0.471	51%	0.512	S	S	.	.	H	α-helix	trans	-60.7	-43.6	178.5	0	0	0	0	0	112	V43 G44 F50 A51	V43-A47 WeakPolarHBondContact O-CB 3.46Å; V43-A47 PolarHBondContact O-N 3.43Å; G44-A47 PolarHBondContact O-N 3.24Å; A47-F50 PolarHBondContact O-N 2.96Å; A47-A51 VanDerWaalsContact O-CB 3.32Å; A47-A51 WeakPolarHBondContact O-CB 3.33Å; A47-A51 PolarHBondContact O-N 3.44Å
48	V	91.3	Very high	85.4	Confident	79 Å²	79	93.1 Å²	93.1	48%	0.479	50%	0.503	S	S	.	.	H	α-helix	trans	-63.1	-42.2	174.8	170.7	0	0	0	0	110.8	G44 I45 L46 A51 F52	G44-V48 WeakPolarHBondContact O-CB 3.47Å; G44-V48 VanDerWaalsContact O-CG2 3.28Å; G44-V48 WeakPolarHBondContact O-CG2 3.24Å; G44-V48 PolarHBondContact O-N 2.64Å; I45-V48 PolarHBondContact O-N 3.5Å; L46-V48 VanDerWaalsContact C-N 3.35Å; L46-V48 PolarHBondContact O-N 2.94Å; V48-A51 PolarHBondContact O-N 3.32Å; V48-F52 HydrophobicContact CG1-CD2 3.54Å; V48-F52 HydrophobicContact CG1-CE2 3.42Å; V48-F52 VanDerWaalsContact CG1-CE2 3.42Å; V48-F52 VanDerWaalsContact O-CD2 3.23Å; V48-F52 WeakPolarHBondContact O-CD2 3.39Å; V48-F52 PolarHBondContact O-N 2.87Å
49	H	89.6	Confident	85	Confident	118 Å²	118	91.7 Å²	91.7	55%	0.546	49%	0.493	S	S	.	.	H	α-helix	trans	-63	-44.1	177.4	-176.7	56.7	0	0	0	112.6	I45 L46 F52 K53	I45-H49 WeakPolarHBondContact O-CB 3.23Å; I45-H49 PolarHBondContact O-N 2.87Å; L46-H49 WeakPolarHBondContact O-CB 3.35Å; L46-H49 PolarHBondContact O-N 3.14Å; H49-F52 PolarHBondContact O-N 3.5Å; H49-K53 PolarHBondContact O-N 3.45Å
50	F	89.3	Confident	84.7	Confident	120 Å²	120	90.8 Å²	90.8	53%	0.526	49%	0.486	S	S	.	.	H	α-helix	trans	-64.8	-40.3	174.2	-79.1	-67.4	0	0	0	112	L46 A47 K53 N54	L46-F50 WeakPolarHBondContact O-CD2 3.42Å; L46-F50 PolarHBondContact O-N 2.83Å; A47-F50 PolarHBondContact O-N 2.96Å; F50-K53 PolarHBondContact O-N 2.89Å; F50-N54 WeakPolarHBondContact O-CB 3.28Å; F50-N54 VanDerWaalsContact O-CG 3.23Å; F50-N54 PolarHBondContact O-N 2.93Å
51	A	87.4	Confident	84.3	Confident	53 Å²	53	92.8 Å²	92.8	44%	0.438	49%	0.487	S	S	.	.	H	α-helix	trans	-60.6	-47.1	175.6	0	0	0	0	0	111.4	A47 V48 K53 N54 E55	A47-A51 VanDerWaalsContact O-CB 3.32Å; A47-A51 WeakPolarHBondContact O-CB 3.33Å; A47-A51 PolarHBondContact O-N 3.44Å; V48-A51 PolarHBondContact O-N 3.32Å; A51-K53 PolarHBondContact O-N 3.07Å; A51-N54 PolarHBondContact O-N 2.93Å; A51-E55 VanDerWaalsContact O-CB 3.3Å; A51-E55 WeakPolarHBondContact O-CB 3.48Å; A51-E55 PolarHBondContact O-N 3.38Å
52	F	84.8	Confident	83.5	Confident	134 Å²	134	97.2 Å²	97.2	59%	0.588	50%	0.502	S	S	*	.	H	α-helix	trans	-62.2	-41.5	176.4	-86.8	-64.4	0	0	0	113	V48 H49 E55 H56	V48-F52 HydrophobicContact CG1-CD2 3.54Å; V48-F52 HydrophobicContact CG1-CE2 3.42Å; V48-F52 VanDerWaalsContact CG1-CE2 3.42Å; V48-F52 VanDerWaalsContact O-CD2 3.23Å; V48-F52 WeakPolarHBondContact O-CD2 3.39Å; V48-F52 PolarHBondContact O-N 2.87Å; H49-F52 PolarHBondContact O-N 3.5Å; F52-E55 PolarHBondContact O-N 3.04Å; F52-H56 PolarHBondContact O-N 3.17Å
53	K	84.5	Confident	82.6	Confident	143 Å²	143	99.8 Å²	99.8	62%	0.622	51%	0.507	S	S	*	.	H	α-helix	trans	-64.7	-42	177.4	-171	178.7	179.7	-178.5	0	111.4	H49 F50 A51 H57	H49-K53 PolarHBondContact O-N 3.45Å; F50-K53 PolarHBondContact O-N 2.89Å; A51-K53 PolarHBondContact O-N 3.07Å; K53-H57 PolarHBondContact O-N 3.42Å
54	N	83.8	Confident	81.5	Confident	101 Å²	101	101 Å²	101	54%	0.54	51%	0.507	S	S	.	.	H	α-helix	trans	-68.3	-38	176.3	-72.2	-3.6	0	0	0	111.5	F50 A51 H57 H58	F50-N54 WeakPolarHBondContact O-CB 3.28Å; F50-N54 VanDerWaalsContact O-CG 3.23Å; F50-N54 PolarHBondContact O-N 2.93Å; A51-N54 PolarHBondContact O-N 2.93Å; N54-H57 PolarHBondContact O-N 2.95Å; N54-H58 WeakPolarHBondContact O-CB 3.2Å; N54-H58 PolarHBondContact O-N 3.16Å
55	E	80.5	Confident	80.2	Confident	123 Å²	123	107.3 Å²	107.3	58%	0.575	53%	0.532	S	S	*	.	H	α-helix	trans	-62.9	-42	177.2	-174	168.7	-163	0	0	111.4	A51 F52 H57 H58 E59	A51-E55 VanDerWaalsContact O-CB 3.3Å; A51-E55 WeakPolarHBondContact O-CB 3.48Å; A51-E55 PolarHBondContact O-N 3.38Å; F52-E55 PolarHBondContact O-N 3.04Å; E55-H57 VanDerWaalsContact C-N 3.35Å; E55-H57 PolarHBondContact O-N 2.93Å; E55-H58 PolarHBondContact O-N 2.98Å; E55-E59 PolarHBondContact O-N 3.34Å
56	H	78.3	Confident	78.9	Confident	111 Å²	111	107 Å²	107	51%	0.514	53%	0.527	S	S	.	.	H	α-helix	trans	-61	-43.8	173.3	-168.2	-73.2	0	0	0	111.9	F52 E59 E60	F52-H56 PolarHBondContact O-N 3.17Å; H56-E59 PolarHBondContact O-N 3.45Å; H56-E60 IonicContact CE1-OE1 2.78Å; H56-E60 PolarHBondContact CE1-OE1 2.75Å; H56-E60 IonicContact ND1-OE1 3.72Å; H56-E60 PolarHBondContact ND1-OE1 3.5Å; H56-E60 WeakPolarHBondContact O-CG 3.49Å; H56-E60 PolarHBondContact O-N 3.39Å; H56-E60 VanDerWaalsContact O-N 3.11Å
57	H	76.2	Confident	77.2	Confident	105 Å²	105	108 Å²	108	49%	0.486	54%	0.539	S	S	.	.	H	α-helix	trans	-64.2	-41.5	175.9	-170.2	55.1	0	0	0	111.7	K53 N54 E55 E59 E60 E61	K53-H57 PolarHBondContact O-N 3.42Å; N54-H57 PolarHBondContact O-N 2.95Å; E55-H57 VanDerWaalsContact C-N 3.35Å; E55-H57 PolarHBondContact O-N 2.93Å; H57-E59 VanDerWaalsContact C-N 3.31Å; H57-E59 PolarHBondContact O-N 3.1Å; H57-E60 WeakPolarHBondContact O-CB 3.03Å; H57-E60 PolarHBondContact O-N 2.81Å; H57-E61 WeakPolarHBondContact O-CG 3.23Å; H57-E61 PolarHBondContact O-N 3.14Å
58	H	75.9	Confident	75.6	Confident	100 Å²	100	113 Å²	113	46%	0.463	55%	0.55	S	S	.	*	H	α-helix	trans	-64.3	-35.9	176.8	-133.7	-62.5	0	0	0	111.8	N54 E55 E61 M62	N54-H58 WeakPolarHBondContact O-CB 3.2Å; N54-H58 PolarHBondContact O-N 3.16Å; E55-H58 PolarHBondContact O-N 2.98Å; H58-E61 PolarHBondContact O-N 3.25Å; H58-M62 VanDerWaalsContact CE1-CE 3.41Å; H58-M62 WeakPolarHBondContact CE1-CE 3.46Å; H58-M62 WeakPolarHBondContact ND1-CE 3.3Å; H58-M62 VanDerWaalsContact O-CB 3.31Å; H58-M62 WeakPolarHBondContact O-CB 3.34Å; H58-M62 WeakPolarHBondContact O-CG 3.36Å; H58-M62 PolarHBondContact O-N 3.44Å
59	E	74.3	Confident	74.2	Confident	90 Å²	90	116 Å²	116	42%	0.421	56%	0.562	S	S	.	*	H	α-helix	trans	-67.1	-38.5	175.6	-160.5	-161.6	143.8	0	0	111.5	E55 H56 H57 M62 K63 R101	E55-E59 PolarHBondContact O-N 3.34Å; H56-E59 PolarHBondContact O-N 3.45Å; H57-E59 VanDerWaalsContact C-N 3.31Å; H57-E59 PolarHBondContact O-N 3.1Å; E59-M62 PolarHBondContact O-N 2.85Å; E59-K63 WeakPolarHBondContact O-CG 3.33Å; E59-K63 PolarHBondContact O-N 2.87Å; E59-K63 VanDerWaalsContact O-N 3.15Å; E59-K63 WeakPolarHBondContact OE1-CE 3.24Å; E59-K63 IonicContact OE1-NZ 3.06Å; E59-K63 PolarHBondContact OE1-NZ 2.92Å; E59-R101 IonicContact OE1-NH1 3.9Å
60	E	76.8	Confident	72.3	Confident	95 Å²	95	115.4 Å²	115.4	44%	0.444	57%	0.571	S	S	.	*	H	α-helix	trans	-64.5	-47.6	173.1	-70.1	175.2	166.4	0	0	111.3	H56 H57 M62 K63 E64	H56-E60 IonicContact CE1-OE1 2.78Å; H56-E60 PolarHBondContact CE1-OE1 2.75Å; H56-E60 IonicContact ND1-OE1 3.72Å; H56-E60 PolarHBondContact ND1-OE1 3.5Å; H56-E60 WeakPolarHBondContact O-CG 3.49Å; H56-E60 PolarHBondContact O-N 3.39Å; H56-E60 VanDerWaalsContact O-N 3.11Å; H57-E60 WeakPolarHBondContact O-CB 3.03Å; H57-E60 PolarHBondContact O-N 2.81Å; E60-M62 VanDerWaalsContact C-N 3.26Å; E60-M62 PolarHBondContact O-N 3.22Å; E60-K63 WeakPolarHBondContact O-CB 3.21Å; E60-K63 PolarHBondContact O-N 2.82Å; E60-K63 VanDerWaalsContact O-N 3.13Å; E60-E64 PolarHBondContact O-N 3.44Å
61	E	73.5	Confident	70.7	Confident	73 Å²	73	114.5 Å²	114.5	34%	0.341	58%	0.576	S	S	.	*	H	α-helix	trans	-63.3	-30.7	177.6	-70.5	-154.3	119.3	0	0	113.3	H57 H58 K66	H57-E61 WeakPolarHBondContact O-CG 3.23Å; H57-E61 PolarHBondContact O-N 3.14Å; H58-E61 PolarHBondContact O-N 3.25Å; E61-K66 IonicContact OE1-NZ 3Å; E61-K66 PolarHBondContact OE1-NZ 3.36Å
62	M	66.7	Low	68.9	Low	137 Å²	137	121.7 Å²	121.7	68%	0.675	59%	0.593	S	S	*	*	H	α-helix	trans	-79.9	-19.4	177.4	-70.7	-75.7	175.1	0	0	113	H58 E59 E60	H58-M62 VanDerWaalsContact CE1-CE 3.41Å; H58-M62 WeakPolarHBondContact CE1-CE 3.46Å; H58-M62 WeakPolarHBondContact ND1-CE 3.3Å; H58-M62 VanDerWaalsContact O-CB 3.31Å; H58-M62 WeakPolarHBondContact O-CB 3.34Å; H58-M62 WeakPolarHBondContact O-CG 3.36Å; H58-M62 PolarHBondContact O-N 3.44Å; E59-M62 PolarHBondContact O-N 2.85Å; E60-M62 VanDerWaalsContact C-N 3.26Å; E60-M62 PolarHBondContact O-N 3.22Å
63	K	69.4	Low	67.3	Low	114 Å²	114	121.3 Å²	121.3	50%	0.496	60%	0.604	S	S	.	*	H	α-helix	trans	-75.9	-30.4	170.7	-75.2	166	-174.2	159.8	0	111.5	E59 E60 N65	E59-K63 WeakPolarHBondContact O-CG 3.33Å; E59-K63 PolarHBondContact O-N 2.87Å; E59-K63 VanDerWaalsContact O-N 3.15Å; E59-K63 WeakPolarHBondContact OE1-CE 3.24Å; E59-K63 IonicContact OE1-NZ 3.06Å; E59-K63 PolarHBondContact OE1-NZ 2.92Å; E60-K63 WeakPolarHBondContact O-CB 3.21Å; E60-K63 PolarHBondContact O-N 2.82Å; E60-K63 VanDerWaalsContact O-N 3.13Å; K63-N65 PolarHBondContact O-N 3.16Å; K63-N65 VanDerWaalsContact O-N 3.17Å
64	E	66.4	Low	65.9	Low	120 Å²	120	124.4 Å²	124.4	56%	0.561	61%	0.612	S	S	*	*	S	Bend	trans	-64.9	115.1	168.4	-66.1	-174	163.7	0	0	108.1	E60 K66	E60-E64 PolarHBondContact O-N 3.44Å; E64-K66 HydrophobicContact CB-CG 4.36Å; E64-K66 PolarHBondContact O-N 2.89Å; E64-K66 WeakPolarHBondContact OE2-CE 3.3Å
65	N	60.5	Low	64.4	Low	164 Å²	164	128.6 Å²	128.6	88%	0.877	63%	0.628	S	S	*	*			trans	-67.1	66	173.5	-77.3	-38.1	0	0	0	109.9	K63	K63-N65 PolarHBondContact O-N 3.16Å; K63-N65 VanDerWaalsContact O-N 3.17Å
66	K	63	Low	63.3	Low	114 Å²	114	129.7 Å²	129.7	50%	0.496	64%	0.636	S	S	.	*			trans	-61.4	126.7	171	-70.8	179.9	-175.8	171.8	0	106.3	E61 E64 F68	E61-K66 IonicContact OE1-NZ 3Å; E61-K66 PolarHBondContact OE1-NZ 3.36Å; E64-K66 HydrophobicContact CB-CG 4.36Å; E64-K66 PolarHBondContact O-N 2.89Å; E64-K66 WeakPolarHBondContact OE2-CE 3.3Å; K66-F68 PolarHBondContact O-N 3.37Å
67	P	56.5	Low	62.5	Low	116 Å²	116	134.6 Å²	134.6	75%	0.753	65%	0.65	S	S	*	*			trans	-56.2	131.9	-179.6	22.8	-32.3	0	0	0	108.6	I69	P67-I69 PolarHBondContact O-N 2.89Å
68	F	60	Low	62	Low	164 Å²	164	138.2 Å²	138.2	72%	0.719	66%	0.664	S	S	*	*			trans	-52.9	113.6	177.8	-171.1	-94.1	0	0	0	108.2	K66 S70	K66-F68 PolarHBondContact O-N 3.37Å; F68-S70 PolarHBondContact O-N 3.24Å; F68-S70 VanDerWaalsContact O-N 3.12Å
69	I	59.9	Low	61.7	Low	140 Å²	140	136 Å²	136	72%	0.718	66%	0.656	S	S	*	*			trans	-58.7	123.3	172.4	-60.9	171.6	0	0	0	105.2	P67 V71	P67-I69 PolarHBondContact O-N 2.89Å; I69-V71 PolarHBondContact O-N 3.47Å
70	S	51.3	Low	61.5	Low	107 Å²	107	140.4 Å²	140.4	75%	0.748	68%	0.676	S	S	*	*			trans	-65.9	80.1	176.1	60.7	0	0	0	0	109	F68 Y72	F68-S70 PolarHBondContact O-N 3.24Å; F68-S70 VanDerWaalsContact O-N 3.12Å; S70-Y72 PolarHBondContact O-N 3.01Å
71	V	54.5	Low	61.4	Low	101 Å²	101	142.6 Å²	142.6	61%	0.612	68%	0.68	S	S	*	*			trans	-66.3	123.6	164.2	-174.5	0	0	0	0	104.8	I69	I69-V71 PolarHBondContact O-N 3.47Å
72	Y	49.5	Very low	61.1	Low	203 Å²	203	141.8 Å²	141.8	80%	0.796	69%	0.691	S	S	*	*			trans	-34.1	134.8	-179.1	-70.4	-86.7	0	0	0	111.5	S70 R74	S70-Y72 PolarHBondContact O-N 3.01Å; Y72-R74 VanDerWaalsContact C-N 3.27Å; Y72-R74 PolarHBondContact O-N 3.01Å
73	P	51.6	Low	61.3	Low	127 Å²	127	142 Å²	142	83%	0.825	70%	0.696	S	S	*	*			trans	-60.3	95.9	177.6	26.1	-32.9	0	0	0	107.9	E75	P73-E75 PolarHBondContact O-N 2.89Å
74	R	55.6	Low	61.3	Low	208 Å²	208	138.3 Å²	138.3	79%	0.785	69%	0.689	S	S	*	*			trans	-67.2	130.4	160.6	-74.7	-174.3	-179	-177.3	0.7	104.7	Y72 I76	Y72-R74 VanDerWaalsContact C-N 3.27Å; Y72-R74 PolarHBondContact O-N 3.01Å; R74-I76 PolarHBondContact O-N 3.26Å
75	E	51.8	Low	61.3	Low	188 Å²	188	137.3 Å²	137.3	88%	0.879	68%	0.683	S	S	*	*			trans	-59.1	90.5	166.6	-70.2	-178	174.3	0	0	107.9	P73 R77	P73-E75 PolarHBondContact O-N 2.89Å; E75-R77 VanDerWaalsContact C-N 3.28Å; E75-R77 PolarHBondContact O-N 3.48Å
76	I	58.5	Low	61.8	Low	147 Å²	147	133 Å²	133	75%	0.754	66%	0.663	S	S	*	*			trans	-72.1	95.9	172.6	-62.6	159.3	0	0	0	104.3	R74 K78	R74-I76 PolarHBondContact O-N 3.26Å; I76-K78 PolarHBondContact O-N 3.17Å; I76-K78 VanDerWaalsContact O-N 3.1Å
77	R	60	Low	62.1	Low	213 Å²	213	133.7 Å²	133.7	80%	0.804	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-50.6	123.2	164	-73.9	-172.4	-179.4	-171.4	0.6	106.4	E75 L79	E75-R77 VanDerWaalsContact C-N 3.28Å; E75-R77 PolarHBondContact O-N 3.48Å; R77-L79 PolarHBondContact O-N 3.01Å
78	K	65.8	Low	62.6	Low	181 Å²	181	133.6 Å²	133.6	79%	0.787	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-51.4	127.9	175.1	-68.5	-177.4	179.9	179.3	0	107.5	I76 H80	I76-K78 PolarHBondContact O-N 3.17Å; I76-K78 VanDerWaalsContact O-N 3.1Å; K78-H80 PolarHBondContact O-N 2.88Å
79	L	69.5	Low	62.8	Low	54 Å²	54	128.1 Å²	128.1	28%	0.283	63%	0.631	S	S	.	*	P	Polyproline II helix	trans	-59.7	134.5	176.3	-65.9	167.4	0	0	0	108	R77 W81 K85 T86	R77-L79 PolarHBondContact O-N 3.01Å; L79-W81 HydrophobicContact CB-CD2 4.41Å; L79-W81 HydrophobicContact CB-CZ2 4.47Å; L79-W81 HydrophobicContact CD1-CZ2 4.42Å; L79-W81 HydrophobicContact CD2-CH2 4.09Å; L79-W81 HydrophobicContact CD2-CZ2 3.71Å; L79-W81 HydrophobicContact CG-CZ2 4.42Å; L79-W81 PolarHBondContact O-N 2.91Å; L79-W81 VanDerWaalsContact O-N 3.09Å; L79-K85 VanDerWaalsContact CD1-C 3.45Å; L79-K85 WeakPolarHBondContact CD1-O 3.44Å; L79-T86 HydrophobicContact CD1-CG2 4Å
80	H	71.6	Confident	62.8	Low	182 Å²	182	122.5 Å²	122.5	84%	0.843	60%	0.603	S	S	*	*	S	Bend	trans	-73.3	4	-176.7	-66.7	-73	0	0	0	113.3	K78	K78-H80 PolarHBondContact O-N 2.88Å
81	W	73.5	Confident	63.3	Low	141 Å²	141	122.1 Å²	122.1	53%	0.534	59%	0.589	S	S	.	*	S	Bend	trans	-128.5	156.1	179.3	59.6	71.9	0	0	0	110.2	L79 G84 K85	L79-W81 HydrophobicContact CB-CD2 4.41Å; L79-W81 HydrophobicContact CB-CZ2 4.47Å; L79-W81 HydrophobicContact CD1-CZ2 4.42Å; L79-W81 HydrophobicContact CD2-CH2 4.09Å; L79-W81 HydrophobicContact CD2-CZ2 3.71Å; L79-W81 HydrophobicContact CG-CZ2 4.42Å; L79-W81 PolarHBondContact O-N 2.91Å; L79-W81 VanDerWaalsContact O-N 3.09Å; W81-G84 PolarHBondContact O-N 3.16Å; W81-K85 PolarHBondContact NE1-O 2.77Å
82	G	66.9	Low	63.5	Low	56 Å²	56	122.4 Å²	122.4	58%	0.577	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	57.7	-157.8	-177.9	0	0	0	0	0	112.9	G84 D90	G82-G84 PolarHBondContact O-N 2.97Å; G82-G84 VanDerWaalsContact O-N 3.1Å; G82-D90 WeakPolarHBondContact CA-OD2 3.18Å
83	D	71.7	Confident	64	Low	143 Å²	143	113.2 Å²	113.2	77%	0.765	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	25.9	177	-62.2	-29.7	0	0	0	112.3	K85	D83-K85 VanDerWaalsContact C-N 3.34Å
84	G	69	Low	64.4	Low	35 Å²	35	114.1 Å²	114.1	36%	0.361	54%	0.539	S	S	.	.	S	Bend	trans	79.9	14.5	-167.8	0	0	0	0	0	113.8	W81 G82	W81-G84 PolarHBondContact O-N 3.16Å; G82-G84 PolarHBondContact O-N 2.97Å; G82-G84 VanDerWaalsContact O-N 3.1Å
85	K	66.6	Low	64.7	Low	100 Å²	100	109.9 Å²	109.9	44%	0.435	54%	0.536	S	S	.	.			trans	-88.8	154.3	177.3	-69.2	175.9	-175.9	163.8	0	111.5	L79 W81 D83 T89	L79-K85 VanDerWaalsContact CD1-C 3.45Å; L79-K85 WeakPolarHBondContact CD1-O 3.44Å; W81-K85 PolarHBondContact NE1-O 2.77Å; D83-K85 VanDerWaalsContact C-N 3.34Å; K85-T89 HydrophobicContact CD-CG2 4.5Å
86	T	70.5	Confident	65.4	Low	73 Å²	73	105.9 Å²	105.9	45%	0.448	52%	0.519	S	S	.	.			trans	-69.9	153.6	177.2	62.2	0	0	0	0	110.6	L79 F88 T89 D90	L79-T86 HydrophobicContact CD1-CG2 4Å; T86-F88 PolarHBondContact O-N 3.42Å; T86-F88 VanDerWaalsContact O-N 3.08Å; T86-T89 PolarHBondContact O-N 3.47Å; T86-T89 PolarHBondContact OG1-OG1 3.12Å; T86-D90 PolarHBondContact O-N 3.43Å; T86-D90 VanDerWaalsContact O-N 3.12Å
87	Y	70	Confident	65.3	Low	129 Å²	129	106 Å²	106	51%	0.506	52%	0.521	S	S	.	.	H	α-helix	trans	-52.5	-33.4	176.4	-175.6	-95.9	0	0	0	112.5	T89 D90 H91 F92	Y87-T89 PolarHBondContact O-N 3.35Å; Y87-D90 PolarHBondContact O-N 3.14Å; Y87-H91 AromaticContact CD2-CD2 3.3Å; Y87-H91 WeakPolarHBondContact CD2-CD2 3.4Å; Y87-H91 AromaticContact CD2-NE2 3.96Å; Y87-H91 HydrophobicContact CE1-CB 4.15Å; Y87-H91 HydrophobicContact CE2-CB 4.2Å; Y87-H91 AromaticContact CE2-CD2 3.2Å; Y87-H91 WeakPolarHBondContact CE2-CD2 3.5Å; Y87-H91 AromaticContact CE2-CG 3.69Å; Y87-H91 AromaticContact CE2-NE2 3.7Å; Y87-H91 AromaticContact CZ-CD2 3.89Å; Y87-H91 AromaticContact CZ-CG 3.91Å; Y87-H91 WeakPolarHBondContact O-CB 3.32Å; Y87-H91 PolarHBondContact O-N 3.26Å; Y87-F92 HydrophobicContact CD1-CD2 4.06Å; Y87-F92 HydrophobicContact CD1-CE2 4.2Å; Y87-F92 AromaticContact CE1-CD2 3.89Å; Y87-F92 HydrophobicContact CE1-CD2 3.89Å; Y87-F92 AromaticContact CE1-CE2 3.75Å; Y87-F92 HydrophobicContact CE1-CE2 3.75Å
88	F	67.8	Low	64.9	Low	113 Å²	113	102 Å²	102	50%	0.496	51%	0.508	S	S	.	.	I	π-helix	trans	-63.3	-41	176.8	-166.6	-97	0	0	0	112.5	T86 F92 S93	T86-F88 PolarHBondContact O-N 3.42Å; T86-F88 VanDerWaalsContact O-N 3.08Å; F88-F92 HydrophobicContact CD2-CB 3.74Å; F88-F92 HydrophobicContact CD2-CD2 4.2Å; F88-F92 HydrophobicContact CD2-CG 4.09Å; F88-F92 HydrophobicContact CE2-CB 3.93Å; F88-F92 HydrophobicContact CE2-CG 4.28Å; F88-F92 HydrophobicContact CG-CB 4.22Å; F88-F92 WeakPolarHBondContact O-CB 3.42Å; F88-F92 PolarHBondContact O-N 3.44Å; F88-S93 PolarHBondContact O-N 3.19Å
89	T	63	Low	64.4	Low	50 Å²	50	98.7 Å²	98.7	31%	0.307	50%	0.502	S	S	.	.	I	π-helix	trans	-79.9	-23.5	-179.1	-34.6	0	0	0	0	112.9	K85 T86 Y87 S93 P100	K85-T89 HydrophobicContact CD-CG2 4.5Å; T86-T89 PolarHBondContact O-N 3.47Å; T86-T89 PolarHBondContact OG1-OG1 3.12Å; Y87-T89 PolarHBondContact O-N 3.35Å; T89-S93 VanDerWaalsContact C-OG 3.24Å; T89-S93 PolarHBondContact O-OG 3.18Å; T89-P100 HydrophobicContact CG2-CG 4.45Å
90	D	60.7	Low	63.8	Low	21 Å²	21	99.5 Å²	99.5	11%	0.112	51%	0.511	C	S	.	.	I	π-helix	trans	-92.1	-32.6	-179.6	-85.2	-10.7	0	0	0	113.9	G82 T86 Y87 K94	G82-D90 WeakPolarHBondContact CA-OD2 3.18Å; T86-D90 PolarHBondContact O-N 3.43Å; T86-D90 VanDerWaalsContact O-N 3.12Å; Y87-D90 PolarHBondContact O-N 3.14Å; D90-K94 VanDerWaalsContact O-CD 3.23Å; D90-K94 WeakPolarHBondContact O-CD 3.36Å; D90-K94 VanDerWaalsContact O-CE 3.24Å; D90-K94 WeakPolarHBondContact O-CE 3.43Å; D90-K94 PolarHBondContact O-NZ 3.28Å; D90-K94 VanDerWaalsContact O-NZ 3.14Å
91	H	61.2	Low	62.7	Low	100 Å²	100	100.3 Å²	100.3	46%	0.463	51%	0.507	S	S	.	.	I	π-helix	trans	-114	-57	-176.2	-67.3	-81.9	0	0	0	112.7	Y87 K94 T95	Y87-H91 AromaticContact CD2-CD2 3.3Å; Y87-H91 WeakPolarHBondContact CD2-CD2 3.4Å; Y87-H91 AromaticContact CD2-NE2 3.96Å; Y87-H91 HydrophobicContact CE1-CB 4.15Å; Y87-H91 HydrophobicContact CE2-CB 4.2Å; Y87-H91 AromaticContact CE2-CD2 3.2Å; Y87-H91 WeakPolarHBondContact CE2-CD2 3.5Å; Y87-H91 AromaticContact CE2-CG 3.69Å; Y87-H91 AromaticContact CE2-NE2 3.7Å; Y87-H91 AromaticContact CZ-CD2 3.89Å; Y87-H91 AromaticContact CZ-CG 3.91Å; Y87-H91 WeakPolarHBondContact O-CB 3.32Å; Y87-H91 PolarHBondContact O-N 3.26Å; H91-K94 PolarHBondContact O-N 3.29Å; H91-T95 PolarHBondContact O-N 3.43Å; H91-T95 PolarHBondContact O-OG1 3.11Å
92	F	59.4	Low	61.5	Low	106 Å²	106	97.6 Å²	97.6	47%	0.465	51%	0.514	S	S	.	.	I	π-helix	trans	-67.6	-49	-172.4	-90.2	-78.3	0	0	0	112.5	Y87 F88 K94 T95 I96	Y87-F92 HydrophobicContact CD1-CD2 4.06Å; Y87-F92 HydrophobicContact CD1-CE2 4.2Å; Y87-F92 AromaticContact CE1-CD2 3.89Å; Y87-F92 HydrophobicContact CE1-CD2 3.89Å; Y87-F92 AromaticContact CE1-CE2 3.75Å; Y87-F92 HydrophobicContact CE1-CE2 3.75Å; F88-F92 HydrophobicContact CD2-CB 3.74Å; F88-F92 HydrophobicContact CD2-CD2 4.2Å; F88-F92 HydrophobicContact CD2-CG 4.09Å; F88-F92 HydrophobicContact CE2-CB 3.93Å; F88-F92 HydrophobicContact CE2-CG 4.28Å; F88-F92 HydrophobicContact CG-CB 4.22Å; F88-F92 WeakPolarHBondContact O-CB 3.42Å; F88-F92 PolarHBondContact O-N 3.44Å; F92-K94 PolarHBondContact O-N 3.24Å; F92-T95 WeakPolarHBondContact O-CA 3.34Å; F92-T95 WeakPolarHBondContact O-CB 3.47Å; F92-T95 PolarHBondContact O-N 3.49Å; F92-I96 WeakPolarHBondContact O-CG1 3.41Å; F92-I96 PolarHBondContact O-N 3.43Å
93	S	58.4	Low	60.5	Low	11 Å²	11	101.5 Å²	101.5	8%	0.077	53%	0.527	C	S	.	.	H	α-helix	trans	-52.8	-38.5	178.9	65.3	0	0	0	0	112.6	F88 T89 I96 N97 Y98	F88-S93 PolarHBondContact O-N 3.19Å; T89-S93 VanDerWaalsContact C-OG 3.24Å; T89-S93 PolarHBondContact O-OG 3.18Å; S93-I96 PolarHBondContact O-N 3.29Å; S93-N97 PolarHBondContact O-N 3.49Å; S93-N97 VanDerWaalsContact O-N 3.07Å; S93-Y98 PolarHBondContact O-N 3.44Å
94	K	60.7	Low	59.3	Low	146 Å²	146	97.7 Å²	97.7	64%	0.635	51%	0.511	S	S	*	.	H	α-helix	trans	-69.8	-36.2	176.9	-65.5	-175.6	-170.3	155.8	0	112	D90 H91 F92	D90-K94 VanDerWaalsContact O-CD 3.23Å; D90-K94 WeakPolarHBondContact O-CD 3.36Å; D90-K94 VanDerWaalsContact O-CE 3.24Å; D90-K94 WeakPolarHBondContact O-CE 3.43Å; D90-K94 PolarHBondContact O-NZ 3.28Å; D90-K94 VanDerWaalsContact O-NZ 3.14Å; H91-K94 PolarHBondContact O-N 3.29Å; F92-K94 PolarHBondContact O-N 3.24Å
95	T	63.1	Low	58.2	Low	118 Å²	118	101.5 Å²	101.5	72%	0.724	53%	0.53	S	S	*	.	H	α-helix	trans	-69.1	-36.4	176.9	-45.2	0	0	0	0	112.1	H91 F92	H91-T95 PolarHBondContact O-N 3.43Å; H91-T95 PolarHBondContact O-OG1 3.11Å; F92-T95 WeakPolarHBondContact O-CA 3.34Å; F92-T95 WeakPolarHBondContact O-CB 3.47Å; F92-T95 PolarHBondContact O-N 3.49Å
96	I	65.4	Low	57.5	Low	104 Å²	104	103.7 Å²	103.7	53%	0.533	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	7.7	-178.7	61.2	166.7	0	0	0	113.9	F92 S93 Y98	F92-I96 WeakPolarHBondContact O-CG1 3.41Å; F92-I96 PolarHBondContact O-N 3.43Å; S93-I96 PolarHBondContact O-N 3.29Å; I96-Y98 HydrophobicContact CD1-CG 4.2Å; I96-Y98 PolarHBondContact O-N 3.44Å; I96-Y98 VanDerWaalsContact O-N 3.1Å
97	N	56.7	Low	56.3	Low	149 Å²	149	105.6 Å²	105.6	80%	0.797	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	49	32.4	-172.8	-92.2	-15.3	0	0	0	113.4	S93 T99	S93-N97 PolarHBondContact O-N 3.49Å; S93-N97 VanDerWaalsContact O-N 3.07Å; N97-T99 PolarHBondContact O-N 3.1Å
98	Y	52	Low	55.2	Low	131 Å²	131	109 Å²	109	51%	0.514	58%	0.576	S	S	.	*			trans	-86	113	179.9	-179.6	-101.8	0	0	0	109.5	S93 I96 P100	S93-Y98 PolarHBondContact O-N 3.44Å; I96-Y98 HydrophobicContact CD1-CG 4.2Å; I96-Y98 PolarHBondContact O-N 3.44Å; I96-Y98 VanDerWaalsContact O-N 3.1Å; Y98-P100 HydrophobicContact CE1-CB 4.29Å; Y98-P100 WeakPolarHBondContact O-CD 3.5Å
99	T	55.5	Low	53.7	Low	110 Å²	110	108.8 Å²	108.8	68%	0.675	59%	0.588	S	S	*	*			trans	-87.8	113.7	169.4	40.5	0	0	0	0	108.9	N97 R101	N97-T99 PolarHBondContact O-N 3.1Å; T99-R101 PolarHBondContact O-N 3.45Å; T99-R101 VanDerWaalsContact O-N 3.14Å
100	P	55.3	Low	52.7	Low	71 Å²	71	111 Å²	111	46%	0.461	61%	0.612	S	S	.	*			trans	-61.5	120.4	172.9	23.7	-30.4	0	0	0	109	T89 Y98 A102	T89-P100 HydrophobicContact CG2-CG 4.45Å; Y98-P100 HydrophobicContact CE1-CB 4.29Å; Y98-P100 WeakPolarHBondContact O-CD 3.5Å; P100-A102 PolarHBondContact O-N 3.39Å
101	R	50.1	Low	51.8	Low	200 Å²	200	121.3 Å²	121.3	76%	0.755	67%	0.667	S	S	*	*	S	Bend	trans	-75.6	5.6	-175.6	-99.7	-175.8	-177.8	162.5	2.7	115.4	E59 T99	E59-R101 IonicContact OE1-NH1 3.9Å; T99-R101 PolarHBondContact O-N 3.45Å; T99-R101 VanDerWaalsContact O-N 3.14Å
102	A	48.1	Very low	51.3	Low	83 Å²	83	122.4 Å²	122.4	69%	0.686	68%	0.677	S	S	*	*			trans	-144	105.4	175	0	0	0	0	0	111.1	P100 S104	P100-A102 PolarHBondContact O-N 3.39Å; A102-S104 PolarHBondContact O-N 3.32Å
103	T	46.4	Very low	50.9	Low	139 Å²	139	123.2 Å²	123.2	85%	0.853	69%	0.688	S	S	*	*			trans	-78.8	96	154.9	-34.4	0	0	0	0	105.6	P105	T103-P105 WeakPolarHBondContact O-CD 2.93Å; T103-P105 VanDerWaalsContact O-N 3.16Å
104	S	45.9	Very low	50.4	Low	63 Å²	63	129.4 Å²	129.4	44%	0.441	72%	0.722	S	S	.	*			trans	-53.3	121.6	170.3	170.9	0	0	0	0	108	A102 I106	A102-S104 PolarHBondContact O-N 3.32Å; S104-I106 VanDerWaalsContact C-N 3.33Å; S104-I106 PolarHBondContact O-N 2.92Å
105	P	45.4	Very low	49.8	Very low	115 Å²	115	128.5 Å²	128.5	75%	0.747	73%	0.727	S	S	*	*			trans	-64.4	104	164.8	26.5	-28.4	0	0	0	105.7	T103 P107	T103-P105 WeakPolarHBondContact O-CD 2.93Å; T103-P105 VanDerWaalsContact O-N 3.16Å; P105-P107 VanDerWaalsContact O-CD 3.3Å; P105-P107 WeakPolarHBondContact O-CD 3.14Å; P105-P107 VanDerWaalsContact O-N 3.11Å
106	I	51.7	Low	49	Very low	146 Å²	146	129.1 Å²	129.1	75%	0.749	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-55.1	119.7	163.6	-60	170.5	0	0	0	104.5	S104 K108	S104-I106 VanDerWaalsContact C-N 3.33Å; S104-I106 PolarHBondContact O-N 2.92Å; I106-K108 PolarHBondContact O-N 3.23Å
107	P	45.6	Very low	47.9	Very low	113 Å²	113	130.8 Å²	130.8	73%	0.734	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-58.8	118.9	173.9	22.8	-29.8	0	0	0	106.9	P105 S109	P105-P107 VanDerWaalsContact O-CD 3.3Å; P105-P107 WeakPolarHBondContact O-CD 3.14Å; P105-P107 VanDerWaalsContact O-N 3.11Å; P107-S109 PolarHBondContact O-N 2.99Å
108	K	46.2	Very low	47.3	Very low	200 Å²	200	129.5 Å²	129.5	87%	0.87	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-59.4	132.6	164.9	-76.9	-177.9	176.4	179.7	0	106.4	I106 A110	I106-K108 PolarHBondContact O-N 3.23Å; K108-A110 PolarHBondContact O-N 3.48Å
109	S	36.7	Very low	46.9	Very low	108 Å²	108	129.4 Å²	129.4	76%	0.755	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-57.8	133.9	166.6	61.7	0	0	0	0	107.8	P107	P107-S109 PolarHBondContact O-N 2.99Å
110	A	43.3	Very low	46.2	Very low	97 Å²	97	131 Å²	131	80%	0.802	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-65.9	136.8	159.3	0	0	0	0	0	107.2	K108	K108-A110 PolarHBondContact O-N 3.48Å
111	D	39.8	Very low	45.4	Very low	237 Å²	237	136.5 Å²	136.5	100%	1.267	79%	0.787	S	S	*	*			trans	-52.5	0	172.4	-68.6	-40.2	0	0	0	112.2

Retrieved 111 of 111 residues in 54.3 ms (Link to these results)

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