A0A087XUA4_POEFO Loading...

Protein S100

AlphaFold DB , UniProt , Accession A0A087XUA4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 113 aa.

						>A0A087XUA4_POEFO|A0A087XUA4
DRFSSAPSSPFSPHPFPAAMPSDLETAMELLIVVFHRYASKDGRAGTLSRRELRQLMENELSNFLKSQKDPGAIDKIMKDLDANGDGQVDFEEFVALVVGLSVACEQCYKMHK
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	D	42.1	Very low	50.8	Low	224 Å²	224	146.5 Å²	146.5	100%	1.198	83%	0.827	S	S	*	*				0	132.5	0	-93.6	-106.9	0	0	0	113
2	R	45.4	Very low	51	Low	226 Å²	226	140.4 Å²	140.4	85%	0.853	80%	0.8	S	S	*	*			trans	-101.3	100.5	-160.1	177.5	178	169.3	-128.1	0.6	107.6	S4	R2-S4 PolarHBondContact O-N 2.79Å; R2-S4 VanDerWaalsContact O-N 3.11Å
3	F	51.8	Low	50.6	Low	215 Å²	215	139.2 Å²	139.2	94%	0.943	80%	0.801	S	S	*	*			trans	-77.8	100.6	172.6	-136.6	-92.7	0	0	0	108.4
4	S	57.2	Low	50.4	Low	84 Å²	84	139.5 Å²	139.5	59%	0.587	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-61.1	133.8	-178.9	-102.9	0	0	0	0	111.3	R2	R2-S4 PolarHBondContact O-N 2.79Å; R2-S4 VanDerWaalsContact O-N 3.11Å
5	S	54.3	Low	50.4	Low	118 Å²	118	138.1 Å²	138.1	83%	0.825	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-50.9	127.9	169.4	-36.6	0	0	0	0	111.9
6	A	54.4	Low	49.7	Very low	94 Å²	94	141 Å²	141	78%	0.777	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-83.7	136.6	163.4	0	0	0	0	0	109.2
7	P	50.4	Low	50	Low	121 Å²	121	139.6 Å²	139.6	79%	0.786	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-75.6	146.5	-178.5	30.8	-32.7	0	0	0	111.7
8	S	54.7	Low	50.6	Low	111 Å²	111	136.8 Å²	136.8	78%	0.776	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-52.8	138	168.3	34.8	0	0	0	0	112.5
9	S	54.7	Low	51.4	Low	99 Å²	99	134.4 Å²	134.4	69%	0.692	79%	0.785	S	S	*	*			trans	-141.5	115.3	156.2	-69.7	0	0	0	0	108.3	F11	S9-F11 PolarHBondContact O-N 2.97Å
10	P	52.8	Low	52.4	Low	119 Å²	119	136.5 Å²	136.5	77%	0.773	79%	0.789	S	S	*	*			trans	-88.2	82.4	-175.9	35.1	-30.3	0	0	0	108.6	S12	P10-S12 PolarHBondContact O-N 3.25Å
11	F	40.9	Very low	53.7	Low	201 Å²	201	132.8 Å²	132.8	88%	0.882	77%	0.769	S	S	*	*			trans	-80.4	75.7	162.2	-93.7	-84.3	0	0	0	108.6	S9	S9-F11 PolarHBondContact O-N 2.97Å
12	S	53.8	Low	56	Low	73 Å²	73	124.9 Å²	124.9	51%	0.51	73%	0.732	S	S	.	*			trans	-74.8	121.7	154.9	-70.4	0	0	0	0	107	P10 H14	P10-S12 PolarHBondContact O-N 3.25Å; S12-H14 VanDerWaalsContact CB-CD2 3.4Å; S12-H14 WeakPolarHBondContact CB-CD2 3.38Å; S12-H14 PolarHBondContact O-N 3.38Å
13	P	46	Very low	58.2	Low	125 Å²	125	121.2 Å²	121.2	81%	0.812	73%	0.729	S	S	*	*			trans	-76.9	77.6	169.1	33.1	-29.4	0	0	0	106.6	P15	P13-P15 VanDerWaalsContact O-CD 3.32Å; P13-P15 WeakPolarHBondContact O-CD 3.2Å
14	H	46.7	Very low	60.1	Low	143 Å²	143	116.9 Å²	116.9	66%	0.662	72%	0.715	S	S	*	*			trans	-70.5	121.7	159.7	-75.7	-92.8	0	0	0	106.3	S12 F16	S12-H14 VanDerWaalsContact CB-CD2 3.4Å; S12-H14 WeakPolarHBondContact CB-CD2 3.38Å; S12-H14 PolarHBondContact O-N 3.38Å; H14-F16 VanDerWaalsContact C-N 3.3Å; H14-F16 PolarHBondContact O-N 3.14Å
15	P	50.5	Low	61.6	Low	119 Å²	119	118.2 Å²	118.2	77%	0.773	71%	0.712	S	S	*	*			trans	-66.6	101.8	162	28.2	-27.9	0	0	0	105.5	P13	P13-P15 VanDerWaalsContact O-CD 3.32Å; P13-P15 WeakPolarHBondContact O-CD 3.2Å
16	F	39.4	Very low	63.4	Low	184 Å²	184	114.9 Å²	114.9	81%	0.807	69%	0.686	S	S	*	*			trans	-54.9	136.9	158	-83.9	-90.6	0	0	0	106.8	H14 A18	H14-F16 VanDerWaalsContact C-N 3.3Å; H14-F16 PolarHBondContact O-N 3.14Å; F16-A18 VanDerWaalsContact C-N 3.32Å; F16-A18 PolarHBondContact O-N 3.4Å
17	P	54.2	Low	65.1	Low	118 Å²	118	112.6 Å²	112.6	77%	0.766	67%	0.668	S	S	*	*			trans	-64.9	103	172.9	27.9	-29.7	0	0	0	105.8	A19	P17-A19 PolarHBondContact O-N 3.21Å
18	A	60.8	Low	67	Low	89 Å²	89	112.2 Å²	112.2	74%	0.736	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-51.3	118.8	161	0	0	0	0	0	104.9	F16 M20	F16-A18 VanDerWaalsContact C-N 3.32Å; F16-A18 PolarHBondContact O-N 3.4Å; A18-M20 PolarHBondContact O-N 2.87Å
19	A	66.1	Low	68.7	Low	91 Å²	91	112.4 Å²	112.4	75%	0.752	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-46.2	129.8	179.7	0	0	0	0	0	108.4	P17 P21	P17-A19 PolarHBondContact O-N 3.21Å; A19-P21 WeakPolarHBondContact O-CD 3.29Å; A19-P21 VanDerWaalsContact O-N 3.12Å
20	M	72.2	Confident	70.5	Confident	175 Å²	175	112.4 Å²	112.4	86%	0.862	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-57.3	121.4	176.8	-72.5	-73.3	-67.1	0	0	107.2	A18	A18-M20 PolarHBondContact O-N 2.87Å
21	P	78.5	Confident	72.4	Confident	59 Å²	59	109.5 Å²	109.5	38%	0.383	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-58.8	145.1	-180	22.4	-31.4	0	0	0	109.5	A19 E25 T26	A19-P21 WeakPolarHBondContact O-CD 3.29Å; A19-P21 VanDerWaalsContact O-N 3.12Å; P21-E25 HydrophobicContact CB-CB 4.09Å; P21-T26 WeakPolarHBondContact CG-OG1 3.24Å
22	S	92.1	Very high	74.8	Confident	58 Å²	58	103.6 Å²	103.6	41%	0.406	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-62.7	162.4	171.8	63.5	0	0	0	0	110.7	L24 E25 T26	S22-L24 PolarHBondContact O-N 3.37Å; S22-E25 WeakPolarHBondContact CB-OE2 3.45Å; S22-E25 PolarHBondContact N-OE2 3.22Å; S22-E25 PolarHBondContact O-N 3.44Å; S22-E25 VanDerWaalsContact OG-CD 3.25Å; S22-E25 VanDerWaalsContact OG-CG 3.28Å; S22-E25 WeakPolarHBondContact OG-CG 3.37Å; S22-E25 PolarHBondContact OG-N 3.06Å; S22-E25 PolarHBondContact OG-OE2 3.47Å; S22-T26 WeakPolarHBondContact O-CB 3.09Å; S22-T26 PolarHBondContact O-N 2.81Å; S22-T26 PolarHBondContact O-OG1 3.46Å
23	D	91.9	Very high	76.6	Confident	150 Å²	150	103.7 Å²	103.7	80%	0.802	59%	0.589	S	S	*	*	H	α-helix	trans	-57.8	-36	-178.7	-63.4	-44.6	0	0	0	112.1	A27	D23-A27 WeakPolarHBondContact O-CB 3.49Å; D23-A27 PolarHBondContact O-N 3.05Å
24	L	90.4	Very high	78.8	Confident	123 Å²	123	99 Å²	99	64%	0.644	56%	0.558	S	S	*	*	H	α-helix	trans	-72.2	-43.8	178.8	-177.2	60.9	0	0	0	112.2	S22 T26 A27 M28	S22-L24 PolarHBondContact O-N 3.37Å; L24-T26 VanDerWaalsContact C-N 3.29Å; L24-T26 PolarHBondContact O-N 3.13Å; L24-A27 PolarHBondContact O-N 2.89Å; L24-M28 HydrophobicContact CG-SD 4.39Å; L24-M28 WeakPolarHBondContact O-CG 3.41Å; L24-M28 PolarHBondContact O-N 3.39Å
25	E	88.8	Confident	81	Confident	113 Å²	113	92.3 Å²	92.3	53%	0.528	53%	0.527	S	S	.	.	H	α-helix	trans	-61.2	-42.2	175.3	-71.5	165.8	141.6	0	0	110.7	P21 S22 A27 M28 E29	P21-E25 HydrophobicContact CB-CB 4.09Å; S22-E25 WeakPolarHBondContact CB-OE2 3.45Å; S22-E25 PolarHBondContact N-OE2 3.22Å; S22-E25 PolarHBondContact O-N 3.44Å; S22-E25 VanDerWaalsContact OG-CD 3.25Å; S22-E25 VanDerWaalsContact OG-CG 3.28Å; S22-E25 WeakPolarHBondContact OG-CG 3.37Å; S22-E25 PolarHBondContact OG-N 3.06Å; S22-E25 PolarHBondContact OG-OE2 3.47Å; E25-A27 PolarHBondContact O-N 3.28Å; E25-M28 PolarHBondContact O-N 3.24Å; E25-E29 WeakPolarHBondContact O-CB 3.22Å; E25-E29 PolarHBondContact O-N 2.88Å
26	T	91.3	Very high	82.9	Confident	47 Å²	47	90.8 Å²	90.8	29%	0.288	51%	0.51	S	S	.	.	H	α-helix	trans	-60.5	-44.2	174.3	-53.6	0	0	0	0	111.4	P21 S22 L24 E29 L30	P21-T26 WeakPolarHBondContact CG-OG1 3.24Å; S22-T26 WeakPolarHBondContact O-CB 3.09Å; S22-T26 PolarHBondContact O-N 2.81Å; S22-T26 PolarHBondContact O-OG1 3.46Å; L24-T26 VanDerWaalsContact C-N 3.29Å; L24-T26 PolarHBondContact O-N 3.13Å; T26-E29 PolarHBondContact O-N 2.95Å; T26-L30 HydrophobicContact CG2-CD1 4.11Å; T26-L30 HydrophobicContact CG2-CG 4.41Å; T26-L30 WeakPolarHBondContact O-CB 3.14Å; T26-L30 VanDerWaalsContact O-CG 3.24Å; T26-L30 WeakPolarHBondContact O-CG 3.24Å; T26-L30 PolarHBondContact O-N 2.73Å
27	A	90.6	Very high	85.4	Confident	46 Å²	46	87.9 Å²	87.9	38%	0.38	49%	0.493	S	S	.	.	H	α-helix	trans	-63	-43.5	178.1	0	0	0	0	0	112.1	D23 L24 E25 L30 L31	D23-A27 WeakPolarHBondContact O-CB 3.49Å; D23-A27 PolarHBondContact O-N 3.05Å; L24-A27 PolarHBondContact O-N 2.89Å; E25-A27 PolarHBondContact O-N 3.28Å; A27-L30 PolarHBondContact O-N 2.84Å; A27-L31 WeakPolarHBondContact O-CG 3.12Å; A27-L31 PolarHBondContact O-N 2.84Å
28	M	90.6	Very high	87.2	Confident	114 Å²	114	82.7 Å²	82.7	56%	0.562	46%	0.458	S	S	*	.	H	α-helix	trans	-62	-44.3	176.1	-69.4	174.6	66.8	0	0	111.6	L24 E25 L30 L31 I32	L24-M28 HydrophobicContact CG-SD 4.39Å; L24-M28 WeakPolarHBondContact O-CG 3.41Å; L24-M28 PolarHBondContact O-N 3.39Å; E25-M28 PolarHBondContact O-N 3.24Å; M28-L30 VanDerWaalsContact C-N 3.34Å; M28-L30 PolarHBondContact O-N 3.15Å; M28-L31 PolarHBondContact O-N 3.5Å; M28-I32 WeakPolarHBondContact O-CG1 3.19Å; M28-I32 PolarHBondContact O-N 2.84Å
29	E	90.6	Very high	88.5	Confident	115 Å²	115	78.5 Å²	78.5	54%	0.537	42%	0.423	S	S	.	.	H	α-helix	trans	-60.8	-44	175.3	-175.4	174.7	-148.7	0	0	111.3	E25 T26 L31 I32 V33	E25-E29 WeakPolarHBondContact O-CB 3.22Å; E25-E29 PolarHBondContact O-N 2.88Å; T26-E29 PolarHBondContact O-N 2.95Å; E29-L31 VanDerWaalsContact C-N 3.32Å; E29-L31 PolarHBondContact O-N 3.35Å; E29-I32 PolarHBondContact O-N 3.49Å; E29-V33 HydrophobicContact CG-CG2 4.26Å; E29-V33 VanDerWaalsContact O-CG2 3.3Å; E29-V33 WeakPolarHBondContact O-CG2 3.47Å; E29-V33 PolarHBondContact O-N 3.01Å
30	L	91.6	Very high	89.3	Confident	98 Å²	98	77.7 Å²	77.7	51%	0.513	41%	0.412	S	S	.	.	H	α-helix	trans	-61.6	-37.3	177.8	-74	172.9	0	0	0	112.7	T26 A27 M28 V33 V34	T26-L30 HydrophobicContact CG2-CD1 4.11Å; T26-L30 HydrophobicContact CG2-CG 4.41Å; T26-L30 WeakPolarHBondContact O-CB 3.14Å; T26-L30 VanDerWaalsContact O-CG 3.24Å; T26-L30 WeakPolarHBondContact O-CG 3.24Å; T26-L30 PolarHBondContact O-N 2.73Å; A27-L30 PolarHBondContact O-N 2.84Å; M28-L30 VanDerWaalsContact C-N 3.34Å; M28-L30 PolarHBondContact O-N 3.15Å; L30-V33 PolarHBondContact O-N 3.38Å; L30-V34 WeakPolarHBondContact O-CB 3.5Å; L30-V34 VanDerWaalsContact O-CG2 3.23Å; L30-V34 WeakPolarHBondContact O-CG2 3.31Å; L30-V34 PolarHBondContact O-N 2.98Å
31	L	92.8	Very high	89.4	Confident	59 Å²	59	74.4 Å²	74.4	31%	0.309	39%	0.393	S	S	.	.	H	α-helix	trans	-61.2	-45.6	175.1	-69.5	176	0	0	0	111.7	A27 M28 E29 F35 V98	A27-L31 WeakPolarHBondContact O-CG 3.12Å; A27-L31 PolarHBondContact O-N 2.84Å; M28-L31 PolarHBondContact O-N 3.5Å; E29-L31 VanDerWaalsContact C-N 3.32Å; E29-L31 PolarHBondContact O-N 3.35Å; L31-F35 WeakPolarHBondContact O-CB 3.44Å; L31-F35 PolarHBondContact O-N 2.92Å; L31-V98 HydrophobicContact CD2-CG1 3.83Å; L31-V98 HydrophobicContact CD2-CG2 4.17Å
32	I	91.8	Very high	89.1	Confident	77 Å²	77	75.4 Å²	75.4	40%	0.395	40%	0.395	S	S	.	.	H	α-helix	trans	-63.3	-48.2	177.9	-64	166.6	0	0	0	110	M28 E29 V34 F35 H36 F91	M28-I32 WeakPolarHBondContact O-CG1 3.19Å; M28-I32 PolarHBondContact O-N 2.84Å; E29-I32 PolarHBondContact O-N 3.49Å; I32-V34 PolarHBondContact O-N 2.91Å; I32-F35 PolarHBondContact O-N 2.93Å; I32-H36 PolarHBondContact O-CD2 3.3Å; I32-H36 VanDerWaalsContact O-CD2 3.27Å; I32-H36 PolarHBondContact O-N 2.85Å; I32-F91 HydrophobicContact CG1-CE1 4.47Å; I32-F91 HydrophobicContact CG1-CE2 4.06Å; I32-F91 HydrophobicContact CG1-CZ 3.65Å
33	V	91.6	Very high	87.8	Confident	75 Å²	75	76 Å²	76	46%	0.455	41%	0.411	S	S	.	.	H	α-helix	trans	-60.7	-45.9	-179.6	169.2	0	0	0	0	111.3	E29 L30 R37	E29-V33 HydrophobicContact CG-CG2 4.26Å; E29-V33 VanDerWaalsContact O-CG2 3.3Å; E29-V33 WeakPolarHBondContact O-CG2 3.47Å; E29-V33 PolarHBondContact O-N 3.01Å; L30-V33 PolarHBondContact O-N 3.38Å; V33-R37 VanDerWaalsContact O-CB 3.28Å; V33-R37 WeakPolarHBondContact O-CB 3.44Å; V33-R37 PolarHBondContact O-N 2.98Å
34	V	92.7	Very high	86.6	Confident	27 Å²	27	76.4 Å²	76.4	16%	0.164	40%	0.401	C	S	.	.	H	α-helix	trans	-62.6	-47.7	178.2	169.2	0	0	0	0	110.2	L30 I32 H36 R37 Y38 L56 E60	L30-V34 WeakPolarHBondContact O-CB 3.5Å; L30-V34 VanDerWaalsContact O-CG2 3.23Å; L30-V34 WeakPolarHBondContact O-CG2 3.31Å; L30-V34 PolarHBondContact O-N 2.98Å; I32-V34 PolarHBondContact O-N 2.91Å; V34-H36 PolarHBondContact O-N 3.25Å; V34-R37 WeakPolarHBondContact O-CB 3.45Å; V34-R37 PolarHBondContact O-N 2.86Å; V34-Y38 HydrophobicContact CG1-CD2 4.25Å; V34-Y38 HydrophobicContact CG1-CE2 4.18Å; V34-Y38 VanDerWaalsContact O-CD2 3.23Å; V34-Y38 WeakPolarHBondContact O-CD2 3.4Å; V34-Y38 PolarHBondContact O-N 2.8Å; V34-L56 HydrophobicContact CG1-CD1 4.33Å; V34-E60 HydrophobicContact CG1-CG 3.95Å
35	F	92.8	Very high	85.8	Confident	1 Å²	1	74.9 Å²	74.9	0%	0.004	41%	0.406	C	S	.	.	H	α-helix	trans	-56.1	-54.5	178.3	177.5	-97.6	0	0	0	111.8	L31 I32 R37 Y38 A39 G46 L48 F91 F94	L31-F35 WeakPolarHBondContact O-CB 3.44Å; L31-F35 PolarHBondContact O-N 2.92Å; I32-F35 PolarHBondContact O-N 2.93Å; F35-R37 VanDerWaalsContact C-N 3.28Å; F35-R37 PolarHBondContact O-N 2.92Å; F35-Y38 PolarHBondContact O-N 3.06Å; F35-Y38 VanDerWaalsContact O-N 3.08Å; F35-A39 HydrophobicContact CD1-CB 4.25Å; F35-A39 HydrophobicContact CE1-CB 3.94Å; F35-A39 HydrophobicContact CZ-CB 4.15Å; F35-A39 WeakPolarHBondContact O-CB 3.4Å; F35-A39 PolarHBondContact O-N 3.46Å; F35-G46 WeakPolarHBondContact CZ-O 3.35Å; F35-L48 HydrophobicContact CD2-CD1 3.76Å; F35-L48 HydrophobicContact CD2-CG 4.08Å; F35-L48 HydrophobicContact CE2-CD1 3.7Å; F35-L48 HydrophobicContact CE2-CG 3.72Å; F35-L48 HydrophobicContact CZ-CG 4.43Å; F35-F91 HydrophobicContact CB-CD2 3.89Å; F35-F91 HydrophobicContact CB-CE2 4.05Å; F35-F91 HydrophobicContact CD1-CB 4.37Å; F35-F91 AromaticContact CD1-CD2 3.71Å; F35-F91 HydrophobicContact CD1-CD2 3.71Å; F35-F91 HydrophobicContact CD1-CG 4.49Å; F35-F91 HydrophobicContact CD2-CD2 4.04Å; F35-F91 HydrophobicContact CE1-CB 4Å; F35-F91 HydrophobicContact CE1-CD2 4.21Å; F35-F91 HydrophobicContact CE2-CB 4.4Å; F35-F91 HydrophobicContact CE2-CD2 4.49Å; F35-F91 AromaticContact CG-CD2 3.61Å; F35-F91 HydrophobicContact CG-CD2 3.61Å; F35-F91 HydrophobicContact CG-CE2 4.28Å; F35-F91 HydrophobicContact CZ-CB 4.01Å; F35-F94 HydrophobicContact CB-CD1 4.04Å; F35-F94 HydrophobicContact CB-CE1 4.01Å; F35-F94 HydrophobicContact CD2-CB 3.71Å; F35-F94 AromaticContact CD2-CD1 3.71Å; F35-F94 HydrophobicContact CD2-CD1 3.71Å; F35-F94 HydrophobicContact CD2-CD2 4.23Å; F35-F94 HydrophobicContact CD2-CE1 4.41Å; F35-F94 AromaticContact CD2-CG 3.6Å; F35-F94 HydrophobicContact CD2-CG 3.6Å; F35-F94 HydrophobicContact CE2-CB 3.81Å; F35-F94 HydrophobicContact CE2-CG 4.22Å; F35-F94 HydrophobicContact CG-CD1 4.25Å
36	H	90.9	Very high	85.6	Confident	88 Å²	88	70.9 Å²	70.9	41%	0.407	40%	0.395	S	S	.	.	H	α-helix	trans	-65.8	-29	-177.9	-78.4	-74.4	0	0	0	113.4	I32 V34 Y38 S40	I32-H36 PolarHBondContact O-CD2 3.3Å; I32-H36 VanDerWaalsContact O-CD2 3.27Å; I32-H36 PolarHBondContact O-N 2.85Å; V34-H36 PolarHBondContact O-N 3.25Å; H36-Y38 PolarHBondContact O-N 3.32Å; H36-S40 WeakPolarHBondContact O-CB 3.49Å; H36-S40 PolarHBondContact O-N 3.26Å; H36-S40 PolarHBondContact O-OG 3.46Å
37	R	90.9	Very high	85.6	Confident	123 Å²	123	69.9 Å²	69.9	46%	0.464	39%	0.389	S	S	.	.	H	α-helix	trans	-59.4	-34.6	173.4	178.4	171.6	71	-166.2	-3	112.3	V33 V34 F35 E60	V33-R37 VanDerWaalsContact O-CB 3.28Å; V33-R37 WeakPolarHBondContact O-CB 3.44Å; V33-R37 PolarHBondContact O-N 2.98Å; V34-R37 WeakPolarHBondContact O-CB 3.45Å; V34-R37 PolarHBondContact O-N 2.86Å; F35-R37 VanDerWaalsContact C-N 3.28Å; F35-R37 PolarHBondContact O-N 2.92Å; R37-E60 IonicContact CZ-OE1 3.61Å; R37-E60 IonicContact NH2-OE1 2.58Å; R37-E60 PolarHBondContact NH2-OE1 3.42Å; R37-E60 IonicContact NH2-OE2 3.18Å; R37-E60 PolarHBondContact NH2-OE2 2.89Å
38	Y	91.8	Very high	85.7	Confident	9 Å²	9	67.7 Å²	67.7	4%	0.035	37%	0.371	C	S	.	.	H	α-helix	trans	-94.3	-38.1	179.9	-69.7	-79.9	0	0	0	112.6	V34 F35 H36 S40 K41 E52 Q55 L56 N59 E60	V34-Y38 HydrophobicContact CG1-CD2 4.25Å; V34-Y38 HydrophobicContact CG1-CE2 4.18Å; V34-Y38 VanDerWaalsContact O-CD2 3.23Å; V34-Y38 WeakPolarHBondContact O-CD2 3.4Å; V34-Y38 PolarHBondContact O-N 2.8Å; F35-Y38 PolarHBondContact O-N 3.06Å; F35-Y38 VanDerWaalsContact O-N 3.08Å; H36-Y38 PolarHBondContact O-N 3.32Å; Y38-S40 PolarHBondContact O-N 3Å; Y38-S40 VanDerWaalsContact O-N 3.12Å; Y38-K41 PolarHBondContact O-N 3.44Å; Y38-E52 VanDerWaalsContact O-CG 3.24Å; Y38-E52 WeakPolarHBondContact O-CG 3.35Å; Y38-Q55 HydrophobicContact CD1-CB 4.08Å; Y38-Q55 HydrophobicContact CE1-CB 4.09Å; Y38-L56 HydrophobicContact CD1-CB 4.1Å; Y38-L56 HydrophobicContact CD2-CB 3.87Å; Y38-L56 HydrophobicContact CD2-CD1 3.77Å; Y38-L56 HydrophobicContact CD2-CG 3.78Å; Y38-L56 HydrophobicContact CE1-CB 4.45Å; Y38-L56 HydrophobicContact CE2-CB 4.24Å; Y38-L56 HydrophobicContact CE2-CG 4.1Å; Y38-L56 HydrophobicContact CG-CB 3.82Å; Y38-L56 HydrophobicContact CG-CD1 4.18Å; Y38-L56 HydrophobicContact CG-CG 4.22Å; Y38-N59 WeakPolarHBondContact OH-CB 3.48Å; Y38-N59 PolarHBondContact OH-ND2 2.99Å; Y38-N59 VanDerWaalsContact OH-ND2 3.14Å; Y38-E60 HydrophobicContact CE2-CG 3.85Å; Y38-E60 WeakPolarHBondContact CE2-OE1 3.34Å; Y38-E60 PolarHBondContact OH-OE1 2.93Å
39	A	89.1	Confident	85.7	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	5.3	-179.1	0	0	0	0	0	114.9	F35 T47 L48	F35-A39 HydrophobicContact CD1-CB 4.25Å; F35-A39 HydrophobicContact CE1-CB 3.94Å; F35-A39 HydrophobicContact CZ-CB 4.15Å; F35-A39 WeakPolarHBondContact O-CB 3.4Å; F35-A39 PolarHBondContact O-N 3.46Å; A39-T47 WeakPolarHBondContact CB-O 3.43Å; A39-L48 HydrophobicContact CB-CD2 3.81Å; A39-L48 HydrophobicContact CB-CG 4.2Å
40	S	82.9	Confident	85.6	Confident	74 Å²	74	63.4 Å²	63.4	52%	0.517	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	3.6	-180	-55.7	0	0	0	0	112.9	H36 Y38	H36-S40 WeakPolarHBondContact O-CB 3.49Å; H36-S40 PolarHBondContact O-N 3.26Å; H36-S40 PolarHBondContact O-OG 3.46Å; Y38-S40 PolarHBondContact O-N 3Å; Y38-S40 VanDerWaalsContact O-N 3.12Å
41	K	74	Confident	85.5	Confident	107 Å²	107	66.1 Å²	66.1	47%	0.465	35%	0.35	S	S	.	.	S	Bend	trans	-89.8	-29.3	-170.3	-67.2	-173	-175.9	-177.7	0	113.5	Y38 E52	Y38-K41 PolarHBondContact O-N 3.44Å; K41-E52 WeakPolarHBondContact CA-OE1 3.48Å; K41-E52 HydrophobicContact CB-CG 4.22Å; K41-E52 PolarHBondContact N-OE1 3.42Å
42	D	72.6	Confident	85.5	Confident	79 Å²	79	63.5 Å²	63.5	42%	0.422	34%	0.336	S	S	.	.	S	Bend	trans	-102.4	5.2	-177	-121.3	-94.4	0	0	0	114.1	R51 E52	D42-R51 IonicContact OD2-CZ 3.14Å; D42-R51 IonicContact OD2-NE 3.29Å; D42-R51 PolarHBondContact OD2-NE 3.4Å; D42-R51 IonicContact OD2-NH2 2.6Å; D42-R51 PolarHBondContact OD2-NH2 3.41Å; D42-E52 HydrophobicContact CB-CG 4.48Å; D42-E52 WeakPolarHBondContact CB-OE1 3.4Å; D42-E52 PolarHBondContact N-OE1 2.92Å
43	G	63.8	Low	85.4	Confident	72 Å²	72	59.8 Å²	59.8	74%	0.742	32%	0.318	S	S	*	.	S	Bend	trans	87.9	-4.1	172.5	0	0	0	0	0	115.9
44	R	67.9	Low	85.3	Confident	158 Å²	158	62.7 Å²	62.7	60%	0.596	32%	0.32	S	S	*	.			trans	-97.1	87.4	163.7	-88.8	-176	176.6	178.4	-1.8	110.3	G46	R44-G46 PolarHBondContact O-N 2.88Å
45	A	73.8	Confident	85.1	Confident	90 Å²	90	64.6 Å²	64.6	74%	0.744	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	122.6	174.5	0	0	0	0	0	110.2
46	G	83.5	Confident	85.1	Confident	29 Å²	29	64.6 Å²	64.6	30%	0.299	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	111.6	-5	172.6	0	0	0	0	0	115.8	F35 R44	F35-G46 WeakPolarHBondContact CZ-O 3.35Å; R44-G46 PolarHBondContact O-N 2.88Å
47	T	91.1	Very high	84.9	Confident	26 Å²	26	60.6 Å²	60.6	16%	0.16	31%	0.309	C	S	.	.	S	Bend	trans	-139.2	148.9	175.6	56	0	0	0	0	110.8	A39 Q88 V89 D90	A39-T47 WeakPolarHBondContact CB-O 3.43Å; T47-Q88 HydrophobicContact CG2-CB 4.46Å; T47-Q88 PolarHBondContact OG1-OE1 2.89Å; T47-V89 CarbonylContact C-O 3.35Å; T47-V89 WeakPolarHBondContact CA-O 3.42Å; T47-D90 HydrophobicContact CG2-CB 4.29Å
48	L	92.4	Very high	84.7	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	120.2	171.7	-63.5	165.7	0	0	0	109.5	F35 A39 E52 L53 L56 Q88 V89 F94	F35-L48 HydrophobicContact CD2-CD1 3.76Å; F35-L48 HydrophobicContact CD2-CG 4.08Å; F35-L48 HydrophobicContact CE2-CD1 3.7Å; F35-L48 HydrophobicContact CE2-CG 3.72Å; F35-L48 HydrophobicContact CZ-CG 4.43Å; A39-L48 HydrophobicContact CB-CD2 3.81Å; A39-L48 HydrophobicContact CB-CG 4.2Å; L48-E52 HydrophobicContact CB-CB 4.4Å; L48-E52 HydrophobicContact CD2-CB 3.85Å; L48-L53 HydrophobicContact CB-CB 4.41Å; L48-L53 HydrophobicContact CD1-CD1 4.33Å; L48-L56 HydrophobicContact CD1-CD1 3.91Å; L48-L56 HydrophobicContact CD2-CD1 4.48Å; L48-Q88 CarbonylContact O-C 3.58Å; L48-Q88 WeakPolarHBondContact O-CA 3.47Å; L48-V89 HydrophobicContact CB-CB 4.22Å; L48-V89 PolarHBondContact N-O 3.29Å; L48-V89 PolarHBondContact O-N 3.08Å; L48-F94 HydrophobicContact CD1-CD2 4.15Å
49	S	91.4	Very high	84.6	Confident	21 Å²	21	62.7 Å²	62.7	15%	0.147	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	162.9	163.3	64.3	0	0	0	0	110.9	R51 E52 L53	S49-R51 PolarHBondContact O-N 3.5Å; S49-E52 VanDerWaalsContact CB-OE2 3.3Å; S49-E52 WeakPolarHBondContact CB-OE2 3.25Å; S49-E52 PolarHBondContact N-OE2 3.33Å; S49-E52 PolarHBondContact O-N 3Å; S49-E52 WeakPolarHBondContact OG-CG 3.33Å; S49-E52 PolarHBondContact OG-N 3.47Å; S49-E52 PolarHBondContact OG-OE2 3.06Å; S49-L53 PolarHBondContact O-N 3.27Å
50	R	88.7	Confident	84.6	Confident	119 Å²	119	66.4 Å²	66.4	45%	0.449	35%	0.345	S	S	.	.	H	α-helix	trans	-48.1	-38.9	171.7	-178.2	-171.6	-94.1	92.3	-1.1	112.5	R54 D75 M78	R50-R54 WeakPolarHBondContact O-CB 3.4Å; R50-R54 PolarHBondContact O-N 3.47Å; R50-R54 VanDerWaalsContact O-N 3.1Å; R50-D75 IonicContact CZ-OD1 2.95Å; R50-D75 IonicContact NE-OD1 2.71Å; R50-D75 PolarHBondContact NE-OD1 3Å; R50-D75 IonicContact NE-OD2 3.2Å; R50-D75 IonicContact NH2-OD1 2.76Å; R50-D75 PolarHBondContact NH2-OD1 3.06Å; R50-M78 HydrophobicContact CB-SD 4.22Å
51	R	89.1	Confident	84.7	Confident	155 Å²	155	64.5 Å²	64.5	59%	0.585	33%	0.329	S	S	*	.	H	α-helix	trans	-70.5	-42.3	179.8	-174.3	170.2	76.5	163.8	7.3	112	D42 S49 R54 Q55	D42-R51 IonicContact OD2-CZ 3.14Å; D42-R51 IonicContact OD2-NE 3.29Å; D42-R51 PolarHBondContact OD2-NE 3.4Å; D42-R51 IonicContact OD2-NH2 2.6Å; D42-R51 PolarHBondContact OD2-NH2 3.41Å; S49-R51 PolarHBondContact O-N 3.5Å; R51-R54 WeakPolarHBondContact O-CB 3.3Å; R51-R54 PolarHBondContact O-N 3.31Å; R51-Q55 PolarHBondContact O-N 3.49Å; R51-Q55 VanDerWaalsContact O-N 3.15Å
52	E	91.9	Very high	85	Confident	3 Å²	3	61.4 Å²	61.4	1%	0.014	32%	0.321	C	S	.	.	H	α-helix	trans	-70.9	-41.6	179.1	-70.1	162.4	136.6	0	0	111.7	Y38 K41 D42 L48 S49 R54 Q55 L56	Y38-E52 VanDerWaalsContact O-CG 3.24Å; Y38-E52 WeakPolarHBondContact O-CG 3.35Å; K41-E52 WeakPolarHBondContact CA-OE1 3.48Å; K41-E52 HydrophobicContact CB-CG 4.22Å; K41-E52 PolarHBondContact N-OE1 3.42Å; D42-E52 HydrophobicContact CB-CG 4.48Å; D42-E52 WeakPolarHBondContact CB-OE1 3.4Å; D42-E52 PolarHBondContact N-OE1 2.92Å; L48-E52 HydrophobicContact CB-CB 4.4Å; L48-E52 HydrophobicContact CD2-CB 3.85Å; S49-E52 VanDerWaalsContact CB-OE2 3.3Å; S49-E52 WeakPolarHBondContact CB-OE2 3.25Å; S49-E52 PolarHBondContact N-OE2 3.33Å; S49-E52 PolarHBondContact O-N 3Å; S49-E52 WeakPolarHBondContact OG-CG 3.33Å; S49-E52 PolarHBondContact OG-N 3.47Å; S49-E52 PolarHBondContact OG-OE2 3.06Å; E52-R54 VanDerWaalsContact C-N 3.28Å; E52-R54 PolarHBondContact O-N 3.47Å; E52-Q55 PolarHBondContact O-N 3.1Å; E52-L56 PolarHBondContact O-N 3.05Å
53	L	90.8	Very high	85.2	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-57.1	-45.3	172.8	-179.9	64.9	0	0	0	110.5	L48 S49 Q55 L56 M57 M78 L81 V89	L48-L53 HydrophobicContact CB-CB 4.41Å; L48-L53 HydrophobicContact CD1-CD1 4.33Å; S49-L53 PolarHBondContact O-N 3.27Å; L53-Q55 PolarHBondContact O-N 2.76Å; L53-L56 WeakPolarHBondContact O-CB 3.42Å; L53-L56 PolarHBondContact O-N 2.92Å; L53-M57 HydrophobicContact CD1-CG 4.26Å; L53-M57 HydrophobicContact CG-CG 4.42Å; L53-M57 VanDerWaalsContact O-CG 3.31Å; L53-M57 WeakPolarHBondContact O-CG 3.42Å; L53-M57 PolarHBondContact O-N 3.44Å; L53-M78 HydrophobicContact CB-SD 4.39Å; L53-M78 HydrophobicContact CD2-CB 4.21Å; L53-M78 HydrophobicContact CD2-SD 3.45Å; L53-M78 WeakPolarHBondContact CD2-SD 3.32Å; L53-L81 HydrophobicContact CD1-CD1 4.43Å; L53-L81 HydrophobicContact CD2-CD1 4.3Å; L53-V89 HydrophobicContact CD2-CG2 4.16Å
54	R	88.5	Confident	85.6	Confident	135 Å²	135	63.1 Å²	63.1	51%	0.509	31%	0.309	S	S	.	.	H	α-helix	trans	-56.2	-48.7	175.7	-175.8	173.2	173.1	-161.7	-6.7	112.1	R50 R51 E52 L56 M57 E58 I74	R50-R54 WeakPolarHBondContact O-CB 3.4Å; R50-R54 PolarHBondContact O-N 3.47Å; R50-R54 VanDerWaalsContact O-N 3.1Å; R51-R54 WeakPolarHBondContact O-CB 3.3Å; R51-R54 PolarHBondContact O-N 3.31Å; E52-R54 VanDerWaalsContact C-N 3.28Å; E52-R54 PolarHBondContact O-N 3.47Å; R54-L56 VanDerWaalsContact C-N 3.33Å; R54-L56 PolarHBondContact O-N 3.16Å; R54-M57 PolarHBondContact O-N 2.82Å; R54-E58 HydrophobicContact CG-CG 4.41Å; R54-E58 IonicContact CZ-OE1 2.73Å; R54-E58 VanDerWaalsContact CZ-OE1 3.29Å; R54-E58 IonicContact NE-OE1 3.04Å; R54-E58 PolarHBondContact NE-OE1 3.03Å; R54-E58 IonicContact NH2-OE1 2.84Å; R54-E58 PolarHBondContact NH2-OE1 3.13Å; R54-E58 WeakPolarHBondContact O-CB 3.46Å; R54-E58 WeakPolarHBondContact O-CG 3.45Å; R54-E58 PolarHBondContact O-N 3.21Å; R54-I74 HydrophobicContact CB-CG2 4.02Å; R54-I74 HydrophobicContact CG-CG1 4.28Å; R54-I74 HydrophobicContact CG-CG2 4.38Å
55	Q	90.1	Very high	85.7	Confident	67 Å²	67	57 Å²	57	31%	0.313	29%	0.288	S	S	.	.	H	α-helix	trans	-62.9	-40	178.4	-71.8	-172.2	-3.2	0	0	112.4	Y38 R51 E52 L53 E58 N59	Y38-Q55 HydrophobicContact CD1-CB 4.08Å; Y38-Q55 HydrophobicContact CE1-CB 4.09Å; R51-Q55 PolarHBondContact O-N 3.49Å; R51-Q55 VanDerWaalsContact O-N 3.15Å; E52-Q55 PolarHBondContact O-N 3.1Å; L53-Q55 PolarHBondContact O-N 2.76Å; Q55-E58 PolarHBondContact O-N 3.26Å; Q55-N59 VanDerWaalsContact O-CB 3.3Å; Q55-N59 WeakPolarHBondContact O-CB 3.32Å; Q55-N59 PolarHBondContact O-N 3.43Å; Q55-N59 PolarHBondContact O-ND2 3.39Å
56	L	91.8	Very high	85.5	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-59.8	-49.1	175.9	-175	156.8	0	0	0	110.2	V34 Y38 L48 E52 L53 R54 E58 N59 E60 L61 F94	V34-L56 HydrophobicContact CG1-CD1 4.33Å; Y38-L56 HydrophobicContact CD1-CB 4.1Å; Y38-L56 HydrophobicContact CD2-CB 3.87Å; Y38-L56 HydrophobicContact CD2-CD1 3.77Å; Y38-L56 HydrophobicContact CD2-CG 3.78Å; Y38-L56 HydrophobicContact CE1-CB 4.45Å; Y38-L56 HydrophobicContact CE2-CB 4.24Å; Y38-L56 HydrophobicContact CE2-CG 4.1Å; Y38-L56 HydrophobicContact CG-CB 3.82Å; Y38-L56 HydrophobicContact CG-CD1 4.18Å; Y38-L56 HydrophobicContact CG-CG 4.22Å; L48-L56 HydrophobicContact CD1-CD1 3.91Å; L48-L56 HydrophobicContact CD2-CD1 4.48Å; E52-L56 PolarHBondContact O-N 3.05Å; L53-L56 WeakPolarHBondContact O-CB 3.42Å; L53-L56 PolarHBondContact O-N 2.92Å; R54-L56 VanDerWaalsContact C-N 3.33Å; R54-L56 PolarHBondContact O-N 3.16Å; L56-E58 PolarHBondContact O-N 2.95Å; L56-N59 PolarHBondContact O-N 3.36Å; L56-E60 HydrophobicContact CD2-CG 4.5Å; L56-E60 HydrophobicContact CG-CG 4.27Å; L56-E60 WeakPolarHBondContact O-CB 2.95Å; L56-E60 PolarHBondContact O-N 3.49Å; L56-L61 HydrophobicContact CD2-CD1 4.29Å; L56-F94 HydrophobicContact CD1-CD2 4.21Å; L56-F94 HydrophobicContact CD1-CE2 3.61Å; L56-F94 HydrophobicContact CD1-CZ 4.26Å; L56-F94 HydrophobicContact CD2-CE2 3.95Å; L56-F94 HydrophobicContact CG-CE2 4.46Å
57	M	87.5	Confident	84.6	Confident	4 Å²	4	62.9 Å²	62.9	2%	0.02	30%	0.301	C	S	.	.	H	α-helix	trans	-65.9	-38.5	-179.4	-62.6	-150.1	83.5	0	0	112.4	L53 R54 L61 S62 L65 I74 I77 L97	L53-M57 HydrophobicContact CD1-CG 4.26Å; L53-M57 HydrophobicContact CG-CG 4.42Å; L53-M57 VanDerWaalsContact O-CG 3.31Å; L53-M57 WeakPolarHBondContact O-CG 3.42Å; L53-M57 PolarHBondContact O-N 3.44Å; R54-M57 PolarHBondContact O-N 2.82Å; M57-L61 HydrophobicContact CE-CB 4.5Å; M57-L61 HydrophobicContact CE-CD1 3.67Å; M57-L61 HydrophobicContact CG-CD1 4.41Å; M57-L61 CarbonylContact O-C 3.06Å; M57-L61 VanDerWaalsContact O-CA 3.3Å; M57-L61 WeakPolarHBondContact O-CA 3.32Å; M57-L61 WeakPolarHBondContact O-CB 3.3Å; M57-L61 PolarHBondContact O-N 2.77Å; M57-L61 VanDerWaalsContact O-N 3.12Å; M57-S62 PolarHBondContact O-N 3.21Å; M57-L65 VanDerWaalsContact C-CD1 3.4Å; M57-L65 HydrophobicContact CB-CD1 3.64Å; M57-L65 HydrophobicContact CB-CD2 4.27Å; M57-L65 HydrophobicContact CB-CG 4.07Å; M57-L65 HydrophobicContact CE-CD2 4.34Å; M57-L65 WeakPolarHBondContact O-CD1 3.48Å; M57-L65 HydrophobicContact SD-CD2 4.35Å; M57-I74 HydrophobicContact CB-CD1 4.09Å; M57-I74 HydrophobicContact CG-CD1 4.34Å; M57-I74 HydrophobicContact SD-CD1 3.81Å; M57-I77 HydrophobicContact CE-CD1 3.96Å; M57-I77 HydrophobicContact CE-CG2 4.47Å; M57-I77 HydrophobicContact SD-CB 4.46Å; M57-I77 HydrophobicContact SD-CD1 3.69Å; M57-I77 HydrophobicContact SD-CG2 3.87Å; M57-L97 HydrophobicContact CE-CD2 4.34Å
58	E	86.6	Confident	83.2	Confident	80 Å²	80	67 Å²	67	37%	0.374	32%	0.318	S	S	.	.	H	α-helix	trans	-66.5	-35.6	177.4	-75	175.1	174.8	0	0	112.6	R54 Q55 L56 S62 L65	R54-E58 HydrophobicContact CG-CG 4.41Å; R54-E58 IonicContact CZ-OE1 2.73Å; R54-E58 VanDerWaalsContact CZ-OE1 3.29Å; R54-E58 IonicContact NE-OE1 3.04Å; R54-E58 PolarHBondContact NE-OE1 3.03Å; R54-E58 IonicContact NH2-OE1 2.84Å; R54-E58 PolarHBondContact NH2-OE1 3.13Å; R54-E58 WeakPolarHBondContact O-CB 3.46Å; R54-E58 WeakPolarHBondContact O-CG 3.45Å; R54-E58 PolarHBondContact O-N 3.21Å; Q55-E58 PolarHBondContact O-N 3.26Å; L56-E58 PolarHBondContact O-N 2.95Å; E58-S62 VanDerWaalsContact O-CB 3.29Å; E58-S62 WeakPolarHBondContact O-CB 3.48Å; E58-L65 HydrophobicContact CB-CD1 4.42Å; E58-L65 HydrophobicContact CG-CD1 3.83Å
59	N	88.9	Confident	81.9	Confident	96 Å²	96	76.5 Å²	76.5	51%	0.513	36%	0.36	S	S	.	.	H	α-helix	trans	-92.9	-44.8	-174.4	-67.8	-12.5	0	0	0	113.5	Y38 Q55 L56	Y38-N59 WeakPolarHBondContact OH-CB 3.48Å; Y38-N59 PolarHBondContact OH-ND2 2.99Å; Y38-N59 VanDerWaalsContact OH-ND2 3.14Å; Q55-N59 VanDerWaalsContact O-CB 3.3Å; Q55-N59 WeakPolarHBondContact O-CB 3.32Å; Q55-N59 PolarHBondContact O-N 3.43Å; Q55-N59 PolarHBondContact O-ND2 3.39Å; L56-N59 PolarHBondContact O-N 3.36Å
60	E	89.6	Confident	81.1	Confident	78 Å²	78	78.5 Å²	78.5	36%	0.364	37%	0.369	S	S	.	.	H	α-helix	trans	-91	-34.9	-176.4	-50.4	-51.8	137	0	0	112	V34 R37 Y38 L56	V34-E60 HydrophobicContact CG1-CG 3.95Å; R37-E60 IonicContact CZ-OE1 3.61Å; R37-E60 IonicContact NH2-OE1 2.58Å; R37-E60 PolarHBondContact NH2-OE1 3.42Å; R37-E60 IonicContact NH2-OE2 3.18Å; R37-E60 PolarHBondContact NH2-OE2 2.89Å; Y38-E60 HydrophobicContact CE2-CG 3.85Å; Y38-E60 WeakPolarHBondContact CE2-OE1 3.34Å; Y38-E60 PolarHBondContact OH-OE1 2.93Å; L56-E60 HydrophobicContact CD2-CG 4.5Å; L56-E60 HydrophobicContact CG-CG 4.27Å; L56-E60 WeakPolarHBondContact O-CB 2.95Å; L56-E60 PolarHBondContact O-N 3.49Å
61	L	85.1	Confident	80.3	Confident	33 Å²	33	79 Å²	79	17%	0.173	39%	0.387	C	S	.	.	S	Bend	trans	-114.5	26.6	-171.1	-56.2	174	0	0	0	112.3	L56 M57 N63 F64 L65 L97 L101	L56-L61 HydrophobicContact CD2-CD1 4.29Å; M57-L61 HydrophobicContact CE-CB 4.5Å; M57-L61 HydrophobicContact CE-CD1 3.67Å; M57-L61 HydrophobicContact CG-CD1 4.41Å; M57-L61 CarbonylContact O-C 3.06Å; M57-L61 VanDerWaalsContact O-CA 3.3Å; M57-L61 WeakPolarHBondContact O-CA 3.32Å; M57-L61 WeakPolarHBondContact O-CB 3.3Å; M57-L61 PolarHBondContact O-N 2.77Å; M57-L61 VanDerWaalsContact O-N 3.12Å; L61-N63 PolarHBondContact O-N 2.89Å; L61-F64 HydrophobicContact CB-CB 4.4Å; L61-F64 HydrophobicContact CB-CD2 4.34Å; L61-F64 HydrophobicContact CD2-CD2 4.1Å; L61-F64 HydrophobicContact CD2-CE2 4.35Å; L61-F64 WeakPolarHBondContact O-CA 3.42Å; L61-F64 WeakPolarHBondContact O-CB 3.41Å; L61-F64 PolarHBondContact O-N 2.71Å; L61-L65 PolarHBondContact O-N 3.3Å; L61-L97 HydrophobicContact CD1-CD2 4.38Å; L61-L101 HydrophobicContact CD1-CD1 3.63Å; L61-L101 HydrophobicContact CD2-CD1 4.12Å; L61-L101 HydrophobicContact CG-CD1 4.5Å
62	S	79.1	Confident	80	Confident	43 Å²	43	72.7 Å²	72.7	30%	0.301	37%	0.371	S	S	.	.	H	α-helix	trans	-52.5	-35.5	-175.3	64.4	0	0	0	0	113.7	M57 E58 L65 K66	M57-S62 PolarHBondContact O-N 3.21Å; E58-S62 VanDerWaalsContact O-CB 3.29Å; E58-S62 WeakPolarHBondContact O-CB 3.48Å; S62-L65 PolarHBondContact O-N 2.98Å; S62-K66 VanDerWaalsContact O-CG 3.25Å; S62-K66 WeakPolarHBondContact O-CG 3.24Å; S62-K66 PolarHBondContact O-N 3.37Å
63	N	77.9	Confident	79.6	Confident	111 Å²	111	72.9 Å²	72.9	59%	0.594	37%	0.373	S	S	*	.	H	α-helix	trans	-71.7	-33.3	178.3	-70.5	-22	0	0	0	113.1	L61 K66	L61-N63 PolarHBondContact O-N 2.89Å; N63-K66 PolarHBondContact OD1-NZ 2.95Å; N63-K66 VanDerWaalsContact OD1-NZ 3.16Å
64	F	72.4	Confident	79.3	Confident	76 Å²	76	73.8 Å²	73.8	33%	0.333	38%	0.378	S	S	.	.	H	α-helix	trans	-68.2	-43.5	171.5	-75.9	-85.5	0	0	0	110.7	L61 K66 S67 L101 C105	L61-F64 HydrophobicContact CB-CB 4.4Å; L61-F64 HydrophobicContact CB-CD2 4.34Å; L61-F64 HydrophobicContact CD2-CD2 4.1Å; L61-F64 HydrophobicContact CD2-CE2 4.35Å; L61-F64 WeakPolarHBondContact O-CA 3.42Å; L61-F64 WeakPolarHBondContact O-CB 3.41Å; L61-F64 PolarHBondContact O-N 2.71Å; F64-K66 PolarHBondContact O-N 3.43Å; F64-S67 WeakPolarHBondContact O-CB 3.36Å; F64-S67 PolarHBondContact O-N 3.28Å; F64-L101 HydrophobicContact CD1-CD2 3.81Å; F64-L101 HydrophobicContact CE1-CB 4.41Å; F64-L101 HydrophobicContact CE1-CD2 3.7Å; F64-L101 HydrophobicContact CG-CD2 4.35Å; F64-L101 HydrophobicContact CZ-CB 4.11Å; F64-L101 HydrophobicContact CZ-CD2 4.16Å; F64-C105 WeakPolarHBondContact CZ-SG 3.28Å
65	L	70.6	Confident	79.3	Confident	29 Å²	29	71 Å²	71	15%	0.152	37%	0.373	C	S	.	.	H	α-helix	trans	-68	-32.7	177.7	-72.7	-170.6	0	0	0	113.7	M57 E58 L61 S62 S67 Q68 I74	M57-L65 VanDerWaalsContact C-CD1 3.4Å; M57-L65 HydrophobicContact CB-CD1 3.64Å; M57-L65 HydrophobicContact CB-CD2 4.27Å; M57-L65 HydrophobicContact CB-CG 4.07Å; M57-L65 HydrophobicContact CE-CD2 4.34Å; M57-L65 WeakPolarHBondContact O-CD1 3.48Å; M57-L65 HydrophobicContact SD-CD2 4.35Å; E58-L65 HydrophobicContact CB-CD1 4.42Å; E58-L65 HydrophobicContact CG-CD1 3.83Å; L61-L65 PolarHBondContact O-N 3.3Å; S62-L65 PolarHBondContact O-N 2.98Å; L65-S67 PolarHBondContact O-N 2.84Å; L65-S67 VanDerWaalsContact O-N 3.15Å; L65-Q68 CarbonylContact O-C 3.54Å; L65-Q68 WeakPolarHBondContact O-CA 3.48Å; L65-Q68 PolarHBondContact O-N 3.44Å; L65-I74 HydrophobicContact CD1-CD1 4.17Å; L65-I74 HydrophobicContact CD2-CD1 3.78Å
66	K	68.2	Low	79.2	Confident	145 Å²	145	73.7 Å²	73.7	63%	0.63	38%	0.383	S	S	*	.	H	α-helix	trans	-58.1	-28.3	174.2	-79.6	169.9	-168.4	165.4	0	112.9	S62 N63 F64 Q68	S62-K66 VanDerWaalsContact O-CG 3.25Å; S62-K66 WeakPolarHBondContact O-CG 3.24Å; S62-K66 PolarHBondContact O-N 3.37Å; N63-K66 PolarHBondContact OD1-NZ 2.95Å; N63-K66 VanDerWaalsContact OD1-NZ 3.16Å; F64-K66 PolarHBondContact O-N 3.43Å; K66-Q68 VanDerWaalsContact C-N 3.32Å
67	S	64	Low	79	Confident	97 Å²	97	75.3 Å²	75.3	68%	0.678	39%	0.392	S	S	*	.	H	α-helix	trans	-77.3	-21.9	174.9	-56.3	0	0	0	0	112.1	F64 L65	F64-S67 WeakPolarHBondContact O-CB 3.36Å; F64-S67 PolarHBondContact O-N 3.28Å; L65-S67 PolarHBondContact O-N 2.84Å; L65-S67 VanDerWaalsContact O-N 3.15Å
68	Q	63.7	Low	79.1	Confident	112 Å²	112	75.2 Å²	75.2	52%	0.523	39%	0.392	S	S	.	.			trans	-98.4	96.5	177.5	-70.9	-62.6	-35.1	0	0	111	L65 K66 D70 A73	L65-Q68 CarbonylContact O-C 3.54Å; L65-Q68 WeakPolarHBondContact O-CA 3.48Å; L65-Q68 PolarHBondContact O-N 3.44Å; K66-Q68 VanDerWaalsContact C-N 3.32Å; Q68-D70 PolarHBondContact O-N 3.26Å; Q68-A73 HydrophobicContact CB-CB 4.09Å
69	K	63.2	Low	79.3	Confident	200 Å²	200	79.5 Å²	79.5	87%	0.87	41%	0.409	S	S	*	.			trans	-81.5	3.9	175.4	-71.6	-176	178	-179.9	0	114.2
70	D	76.3	Confident	79.3	Confident	64 Å²	64	81.7 Å²	81.7	34%	0.342	42%	0.42	S	S	.	.			trans	-86.9	119.3	-175.7	-173.5	-130.5	0	0	0	110.6	Q68 G72 A73 K76	Q68-D70 PolarHBondContact O-N 3.26Å; D70-G72 PolarHBondContact O-N 3.46Å; D70-G72 VanDerWaalsContact O-N 3.14Å; D70-A73 HydrophobicContact CB-CB 4.21Å; D70-A73 WeakPolarHBondContact O-CB 3.44Å; D70-A73 PolarHBondContact O-N 3.44Å; D70-A73 PolarHBondContact OD1-N 2.9Å; D70-K76 IonicContact OD1-NZ 2.79Å; D70-K76 PolarHBondContact OD1-NZ 3.21Å
71	P	71.9	Confident	79.3	Confident	128 Å²	128	78.8 Å²	78.8	83%	0.831	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-18.4	176.8	26	-33.8	0	0	0	112.8
72	G	81.3	Confident	79.6	Confident	24 Å²	24	78.6 Å²	78.6	25%	0.247	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	3.4	173.1	0	0	0	0	0	115	D70 I74 D75 K76	D70-G72 PolarHBondContact O-N 3.46Å; D70-G72 VanDerWaalsContact O-N 3.14Å; G72-I74 VanDerWaalsContact C-N 3.3Å; G72-I74 PolarHBondContact O-N 3.18Å; G72-D75 PolarHBondContact O-N 3.18Å; G72-K76 PolarHBondContact O-N 2.82Å
73	A	84.4	Confident	80.1	Confident	7 Å²	7	81 Å²	81	6%	0.058	43%	0.429	C	S	.	.	H	α-helix	trans	-60.3	-41.8	-178	0	0	0	0	0	111.7	Q68 D70 D75 K76 I77	Q68-A73 HydrophobicContact CB-CB 4.09Å; D70-A73 HydrophobicContact CB-CB 4.21Å; D70-A73 WeakPolarHBondContact O-CB 3.44Å; D70-A73 PolarHBondContact O-N 3.44Å; D70-A73 PolarHBondContact OD1-N 2.9Å; A73-D75 VanDerWaalsContact C-N 3.34Å; A73-D75 PolarHBondContact O-N 2.85Å; A73-K76 PolarHBondContact O-N 2.85Å; A73-I77 WeakPolarHBondContact O-CB 3.39Å; A73-I77 WeakPolarHBondContact O-CD1 3.29Å; A73-I77 WeakPolarHBondContact O-CG1 3.3Å; A73-I77 PolarHBondContact O-N 3.41Å
74	I	85	Confident	80.6	Confident	19 Å²	19	80 Å²	80	10%	0.097	42%	0.423	C	S	.	.	H	α-helix	trans	-64.6	-39.4	178.8	-59	-62	0	0	0	111.3	R54 M57 L65 G72 K76 I77 M78	R54-I74 HydrophobicContact CB-CG2 4.02Å; R54-I74 HydrophobicContact CG-CG1 4.28Å; R54-I74 HydrophobicContact CG-CG2 4.38Å; M57-I74 HydrophobicContact CB-CD1 4.09Å; M57-I74 HydrophobicContact CG-CD1 4.34Å; M57-I74 HydrophobicContact SD-CD1 3.81Å; L65-I74 HydrophobicContact CD1-CD1 4.17Å; L65-I74 HydrophobicContact CD2-CD1 3.78Å; G72-I74 VanDerWaalsContact C-N 3.3Å; G72-I74 PolarHBondContact O-N 3.18Å; I74-K76 VanDerWaalsContact C-N 3.35Å; I74-I77 PolarHBondContact O-N 2.89Å; I74-M78 VanDerWaalsContact O-CB 3.29Å; I74-M78 WeakPolarHBondContact O-CB 3.3Å; I74-M78 PolarHBondContact O-N 3.05Å
75	D	87.5	Confident	81.4	Confident	76 Å²	76	79.1 Å²	79.1	41%	0.406	44%	0.436	S	S	.	.	H	α-helix	trans	-66.1	-37.3	176.6	-94.8	-83.5	0	0	0	112.5	R50 G72 A73 K79	R50-D75 IonicContact CZ-OD1 2.95Å; R50-D75 IonicContact NE-OD1 2.71Å; R50-D75 PolarHBondContact NE-OD1 3Å; R50-D75 IonicContact NE-OD2 3.2Å; R50-D75 IonicContact NH2-OD1 2.76Å; R50-D75 PolarHBondContact NH2-OD1 3.06Å; G72-D75 PolarHBondContact O-N 3.18Å; A73-D75 VanDerWaalsContact C-N 3.34Å; A73-D75 PolarHBondContact O-N 2.85Å; D75-K79 WeakPolarHBondContact O-CB 3.43Å; D75-K79 PolarHBondContact O-N 3.17Å
76	K	87.8	Confident	82.3	Confident	123 Å²	123	81.3 Å²	81.3	54%	0.535	45%	0.448	S	S	.	.	H	α-helix	trans	-65.8	-48.1	173.3	-69.5	169	-177.3	156.1	0	111	D70 G72 A73 I74 M78 K79 D80	D70-K76 IonicContact OD1-NZ 2.79Å; D70-K76 PolarHBondContact OD1-NZ 3.21Å; G72-K76 PolarHBondContact O-N 2.82Å; A73-K76 PolarHBondContact O-N 2.85Å; I74-K76 VanDerWaalsContact C-N 3.35Å; K76-M78 VanDerWaalsContact C-N 3.33Å; K76-M78 PolarHBondContact O-N 2.91Å; K76-K79 PolarHBondContact O-N 2.7Å; K76-K79 VanDerWaalsContact O-N 3.13Å; K76-D80 PolarHBondContact O-N 3.15Å
77	I	88.1	Confident	83.3	Confident	37 Å²	37	76 Å²	76	19%	0.19	43%	0.434	C	S	.	.	H	α-helix	trans	-60.5	-44.9	178.3	-66.6	161.6	0	0	0	110.3	M57 A73 I74 K79 D80 L81 L97	M57-I77 HydrophobicContact CE-CD1 3.96Å; M57-I77 HydrophobicContact CE-CG2 4.47Å; M57-I77 HydrophobicContact SD-CB 4.46Å; M57-I77 HydrophobicContact SD-CD1 3.69Å; M57-I77 HydrophobicContact SD-CG2 3.87Å; A73-I77 WeakPolarHBondContact O-CB 3.39Å; A73-I77 WeakPolarHBondContact O-CD1 3.29Å; A73-I77 WeakPolarHBondContact O-CG1 3.3Å; A73-I77 PolarHBondContact O-N 3.41Å; I74-I77 PolarHBondContact O-N 2.89Å; I77-K79 VanDerWaalsContact C-N 3.29Å; I77-K79 PolarHBondContact O-N 3.26Å; I77-D80 PolarHBondContact O-N 3.04Å; I77-L81 HydrophobicContact CG2-CD1 3.69Å; I77-L81 HydrophobicContact CG2-CG 4.23Å; I77-L81 WeakPolarHBondContact O-CB 3.35Å; I77-L81 VanDerWaalsContact O-CG 3.24Å; I77-L81 WeakPolarHBondContact O-CG 3.33Å; I77-L81 PolarHBondContact O-N 3.23Å; I77-L97 HydrophobicContact CG2-CD1 4.32Å
78	M	89.6	Confident	84.6	Confident	2 Å²	2	72.4 Å²	72.4	1%	0.01	41%	0.407	C	S	.	.	H	α-helix	trans	-54.7	-48.8	174.9	-171.7	78	-168	0	0	110.8	R50 L53 I74 K76 D80 L81 D82 G87 V89	R50-M78 HydrophobicContact CB-SD 4.22Å; L53-M78 HydrophobicContact CB-SD 4.39Å; L53-M78 HydrophobicContact CD2-CB 4.21Å; L53-M78 HydrophobicContact CD2-SD 3.45Å; L53-M78 WeakPolarHBondContact CD2-SD 3.32Å; I74-M78 VanDerWaalsContact O-CB 3.29Å; I74-M78 WeakPolarHBondContact O-CB 3.3Å; I74-M78 PolarHBondContact O-N 3.05Å; K76-M78 VanDerWaalsContact C-N 3.33Å; K76-M78 PolarHBondContact O-N 2.91Å; M78-D80 VanDerWaalsContact C-N 3.34Å; M78-D80 PolarHBondContact O-N 2.6Å; M78-L81 PolarHBondContact O-N 3.12Å; M78-D82 WeakPolarHBondContact O-CB 3.37Å; M78-D82 PolarHBondContact O-N 2.85Å; M78-G87 VanDerWaalsContact CE-C 3.4Å; M78-G87 WeakPolarHBondContact CE-O 3.45Å; M78-V89 HydrophobicContact CE-CG2 3.79Å; M78-V89 HydrophobicContact SD-CG2 3.81Å
79	K	90.1	Very high	86	Confident	170 Å²	170	67.1 Å²	67.1	74%	0.739	38%	0.382	S	S	*	.	H	α-helix	trans	-67	-33.2	-179.3	-173.9	179.9	176.7	-175.7	0	113.4	D75 K76 I77 L81	D75-K79 WeakPolarHBondContact O-CB 3.43Å; D75-K79 PolarHBondContact O-N 3.17Å; K76-K79 PolarHBondContact O-N 2.7Å; K76-K79 VanDerWaalsContact O-N 3.13Å; I77-K79 VanDerWaalsContact C-N 3.29Å; I77-K79 PolarHBondContact O-N 3.26Å; K79-L81 VanDerWaalsContact C-N 3.34Å
80	D	89.1	Confident	87.4	Confident	141 Å²	141	59.5 Å²	59.5	75%	0.754	35%	0.351	S	S	*	.	H	α-helix	trans	-71.8	-30.1	175.7	-98.3	-92.2	0	0	0	112.1	K76 I77 M78	K76-D80 PolarHBondContact O-N 3.15Å; I77-D80 PolarHBondContact O-N 3.04Å; M78-D80 VanDerWaalsContact C-N 3.34Å; M78-D80 PolarHBondContact O-N 2.6Å
81	L	90.1	Very high	88.2	Confident	18 Å²	18	59.9 Å²	59.9	9%	0.094	35%	0.35	C	S	.	.	H	α-helix	trans	-88.3	-37.3	-179.5	-64.1	175.9	0	0	0	113.7	L53 I77 M78 K79 A83 V89 E93 L97	L53-L81 HydrophobicContact CD1-CD1 4.43Å; L53-L81 HydrophobicContact CD2-CD1 4.3Å; I77-L81 HydrophobicContact CG2-CD1 3.69Å; I77-L81 HydrophobicContact CG2-CG 4.23Å; I77-L81 WeakPolarHBondContact O-CB 3.35Å; I77-L81 VanDerWaalsContact O-CG 3.24Å; I77-L81 WeakPolarHBondContact O-CG 3.33Å; I77-L81 PolarHBondContact O-N 3.23Å; M78-L81 PolarHBondContact O-N 3.12Å; K79-L81 VanDerWaalsContact C-N 3.34Å; L81-A83 PolarHBondContact O-N 2.9Å; L81-V89 HydrophobicContact CB-CG1 4.48Å; L81-V89 HydrophobicContact CB-CG2 3.95Å; L81-V89 HydrophobicContact CD1-CG2 4.48Å; L81-E93 WeakPolarHBondContact O-CB 3.28Å; L81-E93 VanDerWaalsContact O-CD 3.25Å; L81-E93 VanDerWaalsContact O-CG 3.24Å; L81-E93 WeakPolarHBondContact O-CG 3.43Å; L81-L97 HydrophobicContact CD1-CB 3.97Å; L81-L97 HydrophobicContact CD1-CD1 4.14Å; L81-L97 HydrophobicContact CD1-CD2 3.9Å; L81-L97 HydrophobicContact CD1-CG 4.2Å; L81-L97 HydrophobicContact CD2-CB 3.62Å; L81-L97 HydrophobicContact CD2-CD1 4.17Å; L81-L97 HydrophobicContact CD2-CG 4.41Å; L81-L97 HydrophobicContact CG-CB 4.45Å
82	D	91.3	Very high	89.2	Confident	29 Å²	29	61.4 Å²	61.4	16%	0.155	35%	0.346	C	S	.	.			trans	-71.1	73.9	178.8	179.1	18.1	0	0	0	110.2	M78 N84 G85 D86 G87	M78-D82 WeakPolarHBondContact O-CB 3.37Å; M78-D82 PolarHBondContact O-N 2.85Å; D82-N84 VanDerWaalsContact C-N 3.34Å; D82-N84 PolarHBondContact OD1-OD1 3Å; D82-G85 PolarHBondContact O-N 3.35Å; D82-G85 VanDerWaalsContact OD1-C 3.3Å; D82-G85 WeakPolarHBondContact OD1-CA 3.44Å; D82-G85 PolarHBondContact OD1-N 2.91Å; D82-D86 PolarHBondContact OD1-N 2.85Å; D82-G87 PolarHBondContact OD1-N 3.41Å; D82-G87 WeakPolarHBondContact OD2-CA 3.23Å; D82-G87 PolarHBondContact OD2-N 3.11Å
83	A	88.9	Confident	89.7	Confident	92 Å²	92	61 Å²	61	76%	0.76	34%	0.337	S	S	*	.	S	Bend	trans	-75.1	-30.2	-175.4	0	0	0	0	0	111.2	L81 E93	L81-A83 PolarHBondContact O-N 2.9Å; A83-E93 PolarHBondContact N-OE1 3.15Å
84	N	89.9	Confident	90.1	Very high	91 Å²	91	61 Å²	61	49%	0.487	34%	0.336	S	S	.	.	S	Bend	trans	-81.7	-17	177.3	69.3	25.4	0	0	0	112.8	D82 D86 E93	D82-N84 VanDerWaalsContact C-N 3.34Å; D82-N84 PolarHBondContact OD1-OD1 3Å; N84-D86 WeakPolarHBondContact OD1-CB 3.37Å; N84-D86 PolarHBondContact OD1-N 3.49Å; N84-D86 PolarHBondContact OD1-OD1 2.92Å; N84-D86 VanDerWaalsContact OD1-OD1 3.13Å; N84-E93 PolarHBondContact N-OE1 3.24Å
85	G	88.3	Confident	90.5	Very high	58 Å²	58	62.3 Å²	62.3	60%	0.598	35%	0.345	S	S	*	.			trans	75.9	23.3	176.5	0	0	0	0	0	114.3	D82 G87	D82-G85 PolarHBondContact O-N 3.35Å; D82-G85 VanDerWaalsContact OD1-C 3.3Å; D82-G85 WeakPolarHBondContact OD1-CA 3.44Å; D82-G85 PolarHBondContact OD1-N 2.91Å; G85-G87 VanDerWaalsContact C-N 3.3Å
86	D	89	Confident	90.6	Very high	75 Å²	75	61.5 Å²	61.5	40%	0.401	35%	0.349	S	S	.	.	S	Bend	trans	-85.1	-4.9	-179.6	91.7	-34	0	0	0	113.1	D82 N84 Q88	D82-D86 PolarHBondContact OD1-N 2.85Å; N84-D86 WeakPolarHBondContact OD1-CB 3.37Å; N84-D86 PolarHBondContact OD1-N 3.49Å; N84-D86 PolarHBondContact OD1-OD1 2.92Å; N84-D86 VanDerWaalsContact OD1-OD1 3.13Å; D86-Q88 VanDerWaalsContact C-N 3.28Å; D86-Q88 WeakPolarHBondContact OD1-CA 3.34Å; D86-Q88 VanDerWaalsContact OD1-CB 3.3Å; D86-Q88 WeakPolarHBondContact OD1-CB 3.12Å; D86-Q88 PolarHBondContact OD1-N 3.29Å; D86-Q88 PolarHBondContact OD2-NE2 3.21Å
87	G	89	Confident	90.6	Very high	33 Å²	33	56.7 Å²	56.7	34%	0.34	33%	0.328	S	S	.	.	S	Bend	trans	76.5	16.7	-178.9	0	0	0	0	0	113.4	M78 D82 G85	M78-G87 VanDerWaalsContact CE-C 3.4Å; M78-G87 WeakPolarHBondContact CE-O 3.45Å; D82-G87 PolarHBondContact OD1-N 3.41Å; D82-G87 WeakPolarHBondContact OD2-CA 3.23Å; D82-G87 PolarHBondContact OD2-N 3.11Å; G85-G87 VanDerWaalsContact C-N 3.3Å
88	Q	91.2	Very high	90.7	Very high	22 Å²	22	56.4 Å²	56.4	10%	0.103	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	172.1	176	-50.3	-176.9	113.3	0	0	109.6	T47 L48 D86	T47-Q88 HydrophobicContact CG2-CB 4.46Å; T47-Q88 PolarHBondContact OG1-OE1 2.89Å; L48-Q88 CarbonylContact O-C 3.58Å; L48-Q88 WeakPolarHBondContact O-CA 3.47Å; D86-Q88 VanDerWaalsContact C-N 3.28Å; D86-Q88 WeakPolarHBondContact OD1-CA 3.34Å; D86-Q88 VanDerWaalsContact OD1-CB 3.3Å; D86-Q88 WeakPolarHBondContact OD1-CB 3.12Å; D86-Q88 PolarHBondContact OD1-N 3.29Å; D86-Q88 PolarHBondContact OD2-NE2 3.21Å
89	V	93.4	Very high	90.7	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	114.7	174.6	174	0	0	0	0	108.3	T47 L48 L53 M78 L81 E93 F94	T47-V89 CarbonylContact C-O 3.35Å; T47-V89 WeakPolarHBondContact CA-O 3.42Å; L48-V89 HydrophobicContact CB-CB 4.22Å; L48-V89 PolarHBondContact N-O 3.29Å; L48-V89 PolarHBondContact O-N 3.08Å; L53-V89 HydrophobicContact CD2-CG2 4.16Å; M78-V89 HydrophobicContact CE-CG2 3.79Å; M78-V89 HydrophobicContact SD-CG2 3.81Å; L81-V89 HydrophobicContact CB-CG1 4.48Å; L81-V89 HydrophobicContact CB-CG2 3.95Å; L81-V89 HydrophobicContact CD1-CG2 4.48Å; V89-E93 VanDerWaalsContact CA-OE2 3.32Å; V89-E93 WeakPolarHBondContact CA-OE2 3.23Å; V89-E93 HydrophobicContact CG1-CB 3.76Å; V89-F94 HydrophobicContact CG1-CB 4.12Å
90	D	93.2	Very high	90.6	Very high	41 Å²	41	54.1 Å²	54.1	22%	0.219	34%	0.337	C	S	.	.			trans	-79	179.8	173.8	70.6	40.5	0	0	0	112.2	T47 E92 E93 F94	T47-D90 HydrophobicContact CG2-CB 4.29Å; D90-E92 VanDerWaalsContact C-N 3.34Å; D90-E92 PolarHBondContact O-N 3.47Å; D90-E92 WeakPolarHBondContact OD1-CA 3.42Å; D90-E92 WeakPolarHBondContact OD1-CB 3.43Å; D90-E92 PolarHBondContact OD1-N 3.41Å; D90-E93 PolarHBondContact N-OE2 3.4Å; D90-E93 PolarHBondContact OD1-N 3.12Å; D90-F94 WeakPolarHBondContact O-CB 3.42Å; D90-F94 PolarHBondContact O-N 3.47Å
91	F	92.3	Very high	90.4	Very high	72 Å²	72	49 Å²	49	32%	0.316	31%	0.31	S	S	.	.	H	α-helix	trans	-66.6	-35.2	-178	-175.3	-107	0	0	0	112.7	I32 F35 F94 V95	I32-F91 HydrophobicContact CG1-CE1 4.47Å; I32-F91 HydrophobicContact CG1-CE2 4.06Å; I32-F91 HydrophobicContact CG1-CZ 3.65Å; F35-F91 HydrophobicContact CB-CD2 3.89Å; F35-F91 HydrophobicContact CB-CE2 4.05Å; F35-F91 HydrophobicContact CD1-CB 4.37Å; F35-F91 AromaticContact CD1-CD2 3.71Å; F35-F91 HydrophobicContact CD1-CD2 3.71Å; F35-F91 HydrophobicContact CD1-CG 4.49Å; F35-F91 HydrophobicContact CD2-CD2 4.04Å; F35-F91 HydrophobicContact CE1-CB 4Å; F35-F91 HydrophobicContact CE1-CD2 4.21Å; F35-F91 HydrophobicContact CE2-CB 4.4Å; F35-F91 HydrophobicContact CE2-CD2 4.49Å; F35-F91 AromaticContact CG-CD2 3.61Å; F35-F91 HydrophobicContact CG-CD2 3.61Å; F35-F91 HydrophobicContact CG-CE2 4.28Å; F35-F91 HydrophobicContact CZ-CB 4.01Å; F91-F94 HydrophobicContact CD2-CD1 4.21Å; F91-F94 HydrophobicContact CE2-CD1 4.21Å; F91-F94 PolarHBondContact O-N 3.33Å; F91-V95 HydrophobicContact CD1-CG2 4.13Å; F91-V95 HydrophobicContact CE1-CG2 3.7Å; F91-V95 HydrophobicContact CE2-CG2 4.14Å; F91-V95 HydrophobicContact CZ-CG2 3.71Å; F91-V95 VanDerWaalsContact O-CG2 3.28Å; F91-V95 WeakPolarHBondContact O-CG2 3.35Å; F91-V95 PolarHBondContact O-N 2.99Å
92	E	92.8	Very high	90.2	Very high	160 Å²	160	51.6 Å²	51.6	75%	0.748	33%	0.329	S	S	*	.	H	α-helix	trans	-68.5	-44.2	179.7	-61.8	-172.4	90.8	0	0	110.3	D90 F94 V95 A96	D90-E92 VanDerWaalsContact C-N 3.34Å; D90-E92 PolarHBondContact O-N 3.47Å; D90-E92 WeakPolarHBondContact OD1-CA 3.42Å; D90-E92 WeakPolarHBondContact OD1-CB 3.43Å; D90-E92 PolarHBondContact OD1-N 3.41Å; E92-F94 VanDerWaalsContact C-N 3.34Å; E92-F94 PolarHBondContact O-N 2.79Å; E92-V95 PolarHBondContact O-N 3.18Å; E92-A96 PolarHBondContact O-N 3.14Å
93	E	93.8	Very high	90	Very high	16 Å²	16	53.8 Å²	53.8	8%	0.075	34%	0.343	C	S	.	.	H	α-helix	trans	-63	-39.8	174.6	-66.7	172.9	146.1	0	0	111.5	L81 A83 N84 V89 D90 A96 L97	L81-E93 WeakPolarHBondContact O-CB 3.28Å; L81-E93 VanDerWaalsContact O-CD 3.25Å; L81-E93 VanDerWaalsContact O-CG 3.24Å; L81-E93 WeakPolarHBondContact O-CG 3.43Å; A83-E93 PolarHBondContact N-OE1 3.15Å; N84-E93 PolarHBondContact N-OE1 3.24Å; V89-E93 VanDerWaalsContact CA-OE2 3.32Å; V89-E93 WeakPolarHBondContact CA-OE2 3.23Å; V89-E93 HydrophobicContact CG1-CB 3.76Å; D90-E93 PolarHBondContact N-OE2 3.4Å; D90-E93 PolarHBondContact OD1-N 3.12Å; E93-A96 WeakPolarHBondContact O-CB 3.28Å; E93-A96 PolarHBondContact O-N 3.28Å; E93-L97 PolarHBondContact O-N 3.27Å
94	F	92.3	Very high	89.6	Confident	6 Å²	6	51.3 Å²	51.3	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-62.9	-43.2	172.8	170.3	-104.1	0	0	0	112.8	F35 L48 L56 V89 D90 F91 E92 A96 L97 V98	F35-F94 HydrophobicContact CB-CD1 4.04Å; F35-F94 HydrophobicContact CB-CE1 4.01Å; F35-F94 HydrophobicContact CD2-CB 3.71Å; F35-F94 AromaticContact CD2-CD1 3.71Å; F35-F94 HydrophobicContact CD2-CD1 3.71Å; F35-F94 HydrophobicContact CD2-CD2 4.23Å; F35-F94 HydrophobicContact CD2-CE1 4.41Å; F35-F94 AromaticContact CD2-CG 3.6Å; F35-F94 HydrophobicContact CD2-CG 3.6Å; F35-F94 HydrophobicContact CE2-CB 3.81Å; F35-F94 HydrophobicContact CE2-CG 4.22Å; F35-F94 HydrophobicContact CG-CD1 4.25Å; L48-F94 HydrophobicContact CD1-CD2 4.15Å; L56-F94 HydrophobicContact CD1-CD2 4.21Å; L56-F94 HydrophobicContact CD1-CE2 3.61Å; L56-F94 HydrophobicContact CD1-CZ 4.26Å; L56-F94 HydrophobicContact CD2-CE2 3.95Å; L56-F94 HydrophobicContact CG-CE2 4.46Å; V89-F94 HydrophobicContact CG1-CB 4.12Å; D90-F94 WeakPolarHBondContact O-CB 3.42Å; D90-F94 PolarHBondContact O-N 3.47Å; F91-F94 HydrophobicContact CD2-CD1 4.21Å; F91-F94 HydrophobicContact CE2-CD1 4.21Å; F91-F94 PolarHBondContact O-N 3.33Å; E92-F94 VanDerWaalsContact C-N 3.34Å; E92-F94 PolarHBondContact O-N 2.79Å; F94-A96 VanDerWaalsContact C-N 3.29Å; F94-A96 PolarHBondContact O-N 3.2Å; F94-L97 VanDerWaalsContact O-CB 3.32Å; F94-L97 WeakPolarHBondContact O-CB 3.36Å; F94-L97 PolarHBondContact O-N 2.98Å; F94-V98 HydrophobicContact CE1-CG2 3.98Å; F94-V98 HydrophobicContact CE2-CG2 4.03Å; F94-V98 HydrophobicContact CZ-CG2 3.71Å; F94-V98 PolarHBondContact O-N 3.45Å
95	V	92.2	Very high	89	Confident	47 Å²	47	50 Å²	50	29%	0.285	32%	0.32	S	S	.	.	H	α-helix	trans	-63.6	-38	177.8	169.5	0	0	0	0	110.7	F91 E92 L97 V98 V99	F91-V95 HydrophobicContact CD1-CG2 4.13Å; F91-V95 HydrophobicContact CE1-CG2 3.7Å; F91-V95 HydrophobicContact CE2-CG2 4.14Å; F91-V95 HydrophobicContact CZ-CG2 3.71Å; F91-V95 VanDerWaalsContact O-CG2 3.28Å; F91-V95 WeakPolarHBondContact O-CG2 3.35Å; F91-V95 PolarHBondContact O-N 2.99Å; E92-V95 PolarHBondContact O-N 3.18Å; V95-L97 VanDerWaalsContact C-N 3.3Å; V95-L97 PolarHBondContact O-N 3.31Å; V95-V98 PolarHBondContact O-N 2.58Å; V95-V98 VanDerWaalsContact O-N 3.15Å; V95-V99 HydrophobicContact CG1-CG2 4.14Å; V95-V99 WeakPolarHBondContact O-CG2 3.47Å; V95-V99 PolarHBondContact O-N 2.58Å
96	A	90.3	Very high	88.6	Confident	59 Å²	59	51.3 Å²	51.3	49%	0.488	31%	0.311	S	S	.	.	H	α-helix	trans	-58.5	-41.4	175.2	0	0	0	0	0	112.2	E92 E93 F94 G100	E92-A96 PolarHBondContact O-N 3.14Å; E93-A96 WeakPolarHBondContact O-CB 3.28Å; E93-A96 PolarHBondContact O-N 3.28Å; F94-A96 VanDerWaalsContact C-N 3.29Å; F94-A96 PolarHBondContact O-N 3.2Å; A96-G100 PolarHBondContact O-N 3Å
97	L	88.9	Confident	87.6	Confident	21 Å²	21	53.6 Å²	53.6	11%	0.11	32%	0.319	C	S	.	.	H	α-helix	trans	-57.1	-52.6	172.3	179	65.4	0	0	0	111.2	M57 L61 I77 L81 E93 F94 V95 V99 G100 L101	M57-L97 HydrophobicContact CE-CD2 4.34Å; L61-L97 HydrophobicContact CD1-CD2 4.38Å; I77-L97 HydrophobicContact CG2-CD1 4.32Å; L81-L97 HydrophobicContact CD1-CB 3.97Å; L81-L97 HydrophobicContact CD1-CD1 4.14Å; L81-L97 HydrophobicContact CD1-CD2 3.9Å; L81-L97 HydrophobicContact CD1-CG 4.2Å; L81-L97 HydrophobicContact CD2-CB 3.62Å; L81-L97 HydrophobicContact CD2-CD1 4.17Å; L81-L97 HydrophobicContact CD2-CG 4.41Å; L81-L97 HydrophobicContact CG-CB 4.45Å; E93-L97 PolarHBondContact O-N 3.27Å; F94-L97 VanDerWaalsContact O-CB 3.32Å; F94-L97 WeakPolarHBondContact O-CB 3.36Å; F94-L97 PolarHBondContact O-N 2.98Å; V95-L97 VanDerWaalsContact C-N 3.3Å; V95-L97 PolarHBondContact O-N 3.31Å; L97-V99 VanDerWaalsContact C-N 3.34Å; L97-V99 PolarHBondContact O-N 3.05Å; L97-G100 PolarHBondContact O-N 2.88Å; L97-L101 HydrophobicContact CD1-CD1 4.1Å; L97-L101 HydrophobicContact CD1-CG 4.21Å; L97-L101 HydrophobicContact CG-CD1 3.96Å; L97-L101 HydrophobicContact CG-CG 4.4Å; L97-L101 WeakPolarHBondContact O-CG 3.36Å; L97-L101 PolarHBondContact O-N 2.89Å
98	V	89.6	Confident	86.4	Confident	32 Å²	32	55.5 Å²	55.5	19%	0.194	33%	0.326	C	S	.	.	H	α-helix	trans	-60.8	-45.7	-175.8	175.5	0	0	0	0	110.5	L31 F94 V95 G100 L101 S102	L31-V98 HydrophobicContact CD2-CG1 3.83Å; L31-V98 HydrophobicContact CD2-CG2 4.17Å; F94-V98 HydrophobicContact CE1-CG2 3.98Å; F94-V98 HydrophobicContact CE2-CG2 4.03Å; F94-V98 HydrophobicContact CZ-CG2 3.71Å; F94-V98 PolarHBondContact O-N 3.45Å; V95-V98 PolarHBondContact O-N 2.58Å; V95-V98 VanDerWaalsContact O-N 3.15Å; V98-G100 VanDerWaalsContact C-N 3.34Å; V98-G100 PolarHBondContact O-N 3.42Å; V98-L101 PolarHBondContact O-N 3.37Å; V98-S102 WeakPolarHBondContact O-CB 3.46Å; V98-S102 PolarHBondContact O-N 2.68Å; V98-S102 PolarHBondContact O-OG 3.3Å; V98-S102 VanDerWaalsContact O-OG 3.05Å
99	V	89.6	Confident	85.2	Confident	82 Å²	82	61 Å²	61	50%	0.497	35%	0.347	S	S	.	.	H	α-helix	trans	-59.7	-45.6	176.2	172.1	0	0	0	0	110.7	V95 L97 L101 S102 V103	V95-V99 HydrophobicContact CG1-CG2 4.14Å; V95-V99 WeakPolarHBondContact O-CG2 3.47Å; V95-V99 PolarHBondContact O-N 2.58Å; L97-V99 VanDerWaalsContact C-N 3.34Å; L97-V99 PolarHBondContact O-N 3.05Å; V99-L101 PolarHBondContact O-N 2.96Å; V99-S102 PolarHBondContact O-N 3.44Å; V99-V103 WeakPolarHBondContact O-CG2 3.47Å; V99-V103 PolarHBondContact O-N 3.46Å
100	G	87.3	Confident	84	Confident	41 Å²	41	67.1 Å²	67.1	42%	0.423	37%	0.374	S	S	.	.	H	α-helix	trans	-58.4	-44.9	176.4	0	0	0	0	0	112.8	A96 L97 V98 V103 A104	A96-G100 PolarHBondContact O-N 3Å; L97-G100 PolarHBondContact O-N 2.88Å; V98-G100 VanDerWaalsContact C-N 3.34Å; V98-G100 PolarHBondContact O-N 3.42Å; G100-V103 PolarHBondContact O-N 2.95Å; G100-A104 WeakPolarHBondContact O-CB 3.3Å; G100-A104 PolarHBondContact O-N 3.36Å
101	L	84.9	Confident	82.4	Confident	35 Å²	35	72.5 Å²	72.5	18%	0.183	40%	0.399	C	S	.	.	H	α-helix	trans	-67.1	-40.1	176.9	-66.6	175.5	0	0	0	112.3	L61 F64 L97 V98 V99 A104 C105	L61-L101 HydrophobicContact CD1-CD1 3.63Å; L61-L101 HydrophobicContact CD2-CD1 4.12Å; L61-L101 HydrophobicContact CG-CD1 4.5Å; F64-L101 HydrophobicContact CD1-CD2 3.81Å; F64-L101 HydrophobicContact CE1-CB 4.41Å; F64-L101 HydrophobicContact CE1-CD2 3.7Å; F64-L101 HydrophobicContact CG-CD2 4.35Å; F64-L101 HydrophobicContact CZ-CB 4.11Å; F64-L101 HydrophobicContact CZ-CD2 4.16Å; L97-L101 HydrophobicContact CD1-CD1 4.1Å; L97-L101 HydrophobicContact CD1-CG 4.21Å; L97-L101 HydrophobicContact CG-CD1 3.96Å; L97-L101 HydrophobicContact CG-CG 4.4Å; L97-L101 WeakPolarHBondContact O-CG 3.36Å; L97-L101 PolarHBondContact O-N 2.89Å; V98-L101 PolarHBondContact O-N 3.37Å; V99-L101 PolarHBondContact O-N 2.96Å; L101-A104 PolarHBondContact O-N 3.33Å; L101-C105 WeakPolarHBondContact O-CB 3.37Å; L101-C105 PolarHBondContact O-N 3.49Å
102	S	86.6	Confident	80.8	Confident	72 Å²	72	77 Å²	77	50%	0.503	42%	0.421	S	S	.	.	H	α-helix	trans	-61.7	-42.8	175.4	-65.6	0	0	0	0	111.7	V98 V99 C105 E106	V98-S102 WeakPolarHBondContact O-CB 3.46Å; V98-S102 PolarHBondContact O-N 2.68Å; V98-S102 PolarHBondContact O-OG 3.3Å; V98-S102 VanDerWaalsContact O-OG 3.05Å; V99-S102 PolarHBondContact O-N 3.44Å; S102-C105 WeakPolarHBondContact O-CB 3.24Å; S102-C105 PolarHBondContact O-N 3.2Å; S102-E106 PolarHBondContact O-N 3.2Å
103	V	86.3	Confident	78.7	Confident	74 Å²	74	79 Å²	79	45%	0.448	43%	0.427	S	S	.	.	H	α-helix	trans	-65.6	-41.6	175.7	172.9	0	0	0	0	111.3	V99 G100 E106 Q107	V99-V103 WeakPolarHBondContact O-CG2 3.47Å; V99-V103 PolarHBondContact O-N 3.46Å; G100-V103 PolarHBondContact O-N 2.95Å; V103-E106 PolarHBondContact O-N 2.93Å; V103-Q107 WeakPolarHBondContact O-CG 3.49Å; V103-Q107 PolarHBondContact O-N 3.3Å
104	A	80.7	Confident	78	Confident	41 Å²	41	82.1 Å²	82.1	34%	0.339	45%	0.445	S	S	.	.	H	α-helix	trans	-63.2	-41.6	175.3	0	0	0	0	0	111.9	G100 L101 E106 Q107 C108	G100-A104 WeakPolarHBondContact O-CB 3.3Å; G100-A104 PolarHBondContact O-N 3.36Å; L101-A104 PolarHBondContact O-N 3.33Å; A104-E106 PolarHBondContact O-N 3.47Å; A104-Q107 PolarHBondContact O-N 3.19Å; A104-C108 PolarHBondContact O-N 2.89Å; A104-C108 PolarHBondContact O-SG 2.87Å
105	C	77.6	Confident	77.2	Confident	62 Å²	62	86.1 Å²	86.1	42%	0.419	47%	0.467	S	S	.	.	H	α-helix	trans	-59.4	-43.9	173	-89.7	0	0	0	0	112.5	F64 L101 S102 Q107 C108 Y109	F64-C105 WeakPolarHBondContact CZ-SG 3.28Å; L101-C105 WeakPolarHBondContact O-CB 3.37Å; L101-C105 PolarHBondContact O-N 3.49Å; S102-C105 WeakPolarHBondContact O-CB 3.24Å; S102-C105 PolarHBondContact O-N 3.2Å; C105-Q107 VanDerWaalsContact C-N 3.32Å; C105-Q107 PolarHBondContact O-N 2.96Å; C105-C108 PolarHBondContact O-N 2.89Å; C105-Y109 WeakPolarHBondContact O-CB 3.41Å; C105-Y109 PolarHBondContact O-N 2.89Å
106	E	79.4	Confident	76.4	Confident	87 Å²	87	88.3 Å²	88.3	41%	0.407	48%	0.477	S	S	.	.	H	α-helix	trans	-62.1	-39.2	177.5	176.2	64.6	-174.4	0	0	111.8	S102 V103 A104 Y109 K110	S102-E106 PolarHBondContact O-N 3.2Å; V103-E106 PolarHBondContact O-N 2.93Å; A104-E106 PolarHBondContact O-N 3.47Å; E106-Y109 PolarHBondContact O-N 3.2Å; E106-K110 HydrophobicContact CG-CD 4.45Å; E106-K110 WeakPolarHBondContact O-CG 3.32Å; E106-K110 PolarHBondContact O-N 2.84Å; E106-K110 WeakPolarHBondContact OE1-CE 3.4Å; E106-K110 IonicContact OE1-NZ 3.66Å; E106-K110 PolarHBondContact OE1-NZ 2.86Å
107	Q	69.2	Low	75.6	Confident	122 Å²	122	90 Å²	90	57%	0.57	48%	0.476	S	S	*	.	H	α-helix	trans	-66.1	-42.7	174.6	-69.4	175.7	21.7	0	0	112	V103 A104 C105 Y109 K110 M111	V103-Q107 WeakPolarHBondContact O-CG 3.49Å; V103-Q107 PolarHBondContact O-N 3.3Å; A104-Q107 PolarHBondContact O-N 3.19Å; C105-Q107 VanDerWaalsContact C-N 3.32Å; C105-Q107 PolarHBondContact O-N 2.96Å; Q107-Y109 VanDerWaalsContact C-N 3.32Å; Q107-Y109 PolarHBondContact O-N 3.04Å; Q107-K110 PolarHBondContact O-N 2.95Å; Q107-M111 PolarHBondContact O-N 3.17Å
108	C	63	Low	74.7	Confident	74 Å²	74	94.3 Å²	94.3	50%	0.5	50%	0.499	S	S	.	.	H	α-helix	trans	-62.7	-37.7	174.4	-75.9	0	0	0	0	112.7	A104 C105 H112	A104-C108 PolarHBondContact O-N 2.89Å; A104-C108 PolarHBondContact O-SG 2.87Å; C105-C108 PolarHBondContact O-N 2.89Å; C108-H112 PolarHBondContact O-N 3.02Å; C108-H112 PolarHBondContact O-ND1 2.7Å
109	Y	66.4	Low	73.7	Confident	136 Å²	136	98.5 Å²	98.5	53%	0.533	52%	0.519	S	S	.	.	H	α-helix	trans	-66.3	-40.8	175.2	179.1	-100.2	0	0	0	111.5	C105 E106 Q107 K113	C105-Y109 WeakPolarHBondContact O-CB 3.41Å; C105-Y109 PolarHBondContact O-N 2.89Å; E106-Y109 PolarHBondContact O-N 3.2Å; Q107-Y109 VanDerWaalsContact C-N 3.32Å; Q107-Y109 PolarHBondContact O-N 3.04Å; Y109-K113 HydrophobicContact CE1-CD 4.16Å; Y109-K113 PolarHBondContact OH-NZ 3.11Å; Y109-K113 VanDerWaalsContact OH-NZ 3.11Å
110	K	68.3	Low	72.6	Confident	130 Å²	130	99.6 Å²	99.6	57%	0.565	52%	0.521	S	S	*	.	H	α-helix	trans	-69.7	-30.4	177.1	-77.7	175.5	173	147.6	0	114.2	E106 Q107	E106-K110 HydrophobicContact CG-CD 4.45Å; E106-K110 WeakPolarHBondContact O-CG 3.32Å; E106-K110 PolarHBondContact O-N 2.84Å; E106-K110 WeakPolarHBondContact OE1-CE 3.4Å; E106-K110 IonicContact OE1-NZ 3.66Å; E106-K110 PolarHBondContact OE1-NZ 2.86Å; Q107-K110 PolarHBondContact O-N 2.95Å
111	M	60.1	Low	71.5	Confident	153 Å²	153	104.2 Å²	104.2	75%	0.754	53%	0.528	S	S	*	.	H	α-helix	trans	-76.2	-24	178.6	-88.3	173.3	53.6	0	0	114.2	Q107	Q107-M111 PolarHBondContact O-N 3.17Å
112	H	58.3	Low	70.4	Confident	166 Å²	166	109.9 Å²	109.9	77%	0.769	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	18.5	-179.6	-67.6	130.1	0	0	0	113.3	C108	C108-H112 PolarHBondContact O-N 3.02Å; C108-H112 PolarHBondContact O-ND1 2.7Å
113	K	48.5	Very low	68.9	Low	202 Å²	202	113.4 Å²	113.4	88%	0.878	56%	0.562	S	S	*	*			trans	-112.7	0	173.9	-151.7	-179.7	-170.2	169	0	109.4	Y109	Y109-K113 HydrophobicContact CE1-CD 4.16Å; Y109-K113 PolarHBondContact OH-NZ 3.11Å; Y109-K113 VanDerWaalsContact OH-NZ 3.11Å

Retrieved 113 of 113 residues in 128.2 ms (Link to these results)

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