A0A087XFR6_POEFO Loading...

Myosin, light chain 12, genome duplicate 2

AlphaFold DB (A0A3Q1CWG9), UniProt , Accession A0A087XFR6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 172 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.8	Very low	40.4	Very low	246 Å²	246	161.7 Å²	161.7	100%	1.212	87%	0.87	S	S	*	*				0	118.2	0	-71.3	-172.4	-179.1	0	0	109.1
2	S	41.7	Very low	40.9	Very low	122 Å²	122	163.5 Å²	163.5	85%	0.853	86%	0.864	S	S	*	*				163.8	103.6	124.8	-154.1	0	0	0	0	109.8
3	S	38.8	Very low	41.2	Very low	111 Å²	111	166.6 Å²	166.6	78%	0.776	87%	0.865	S	S	*	*			trans	-74.4	132.4	174.3	175.7	0	0	0	0	109.8
4	K	43.9	Very low	41.2	Very low	206 Å²	206	170.9 Å²	170.9	90%	0.896	86%	0.864	S	S	*	*			trans	-107.7	103.6	167.9	-89.2	-179.9	176.5	174.7	0	109.8
5	R	39.6	Very low	41.2	Very low	241 Å²	241	167.7 Å²	167.7	91%	0.909	86%	0.86	S	S	*	*			trans	-50.4	136.6	173.4	-86.3	167.8	140.5	-179.9	-6.6	113.3
6	A	41.8	Very low	41.4	Very low	102 Å²	102	169.1 Å²	169.1	84%	0.843	86%	0.862	S	S	*	*			trans	-68.1	131.2	163	0	0	0	0	0	111	G8	A6-G8 PolarHBondContact O-N 3.39Å
7	K	41.8	Very low	41.6	Very low	211 Å²	211	172.1 Å²	172.1	92%	0.917	86%	0.86	S	S	*	*			trans	-81.1	107.4	169.1	-94.3	-179.8	173.1	177.5	0	108.9	K9	K7-K9 PolarHBondContact O-N 2.77Å
8	G	36.5	Very low	41.9	Very low	76 Å²	76	167 Å²	167	78%	0.784	85%	0.849	S	S	*	*			trans	-65.7	125.4	168.6	0	0	0	0	0	111	A6 N10	A6-G8 PolarHBondContact O-N 3.39Å; G8-N10 PolarHBondContact O-N 3.12Å
9	K	41.3	Very low	42.2	Very low	199 Å²	199	162.9 Å²	162.9	87%	0.865	83%	0.834	S	S	*	*			trans	-71.4	105.3	166.9	-83.3	179.3	174.6	176.7	0	107.9	K7 T11	K7-K9 PolarHBondContact O-N 2.77Å; K9-T11 PolarHBondContact O-N 3.42Å; K9-T11 VanDerWaalsContact O-N 3.16Å
10	N	37.3	Very low	42.5	Very low	145 Å²	145	159.5 Å²	159.5	78%	0.775	82%	0.824	S	S	*	*			trans	-79	90.7	171.3	-160.5	11	0	0	0	108.5	G8 K12	G8-N10 PolarHBondContact O-N 3.12Å; N10-K12 VanDerWaalsContact C-N 3.34Å; N10-K12 PolarHBondContact O-N 3.12Å
11	T	41.6	Very low	43.6	Very low	120 Å²	120	157.5 Å²	157.5	74%	0.736	82%	0.815	S	S	*	*			trans	-73.6	90.3	169.2	40.2	0	0	0	0	108.3	K9 K13	K9-T11 PolarHBondContact O-N 3.42Å; K9-T11 VanDerWaalsContact O-N 3.16Å; T11-K13 PolarHBondContact O-N 2.99Å
12	K	46.7	Very low	45	Very low	183 Å²	183	146.3 Å²	146.3	80%	0.796	76%	0.761	S	S	*	*			trans	-54.5	110.7	166	-77.1	-175.6	176	-178.6	0	107.7	N10 R14	N10-K12 VanDerWaalsContact C-N 3.34Å; N10-K12 PolarHBondContact O-N 3.12Å; K12-R14 PolarHBondContact O-N 3.14Å
13	K	44.9	Very low	46.4	Very low	204 Å²	204	144.8 Å²	144.8	89%	0.887	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-56.1	121.6	172.7	-74.5	-177.4	176	-178.9	0	107.7	T11	T11-K13 PolarHBondContact O-N 2.99Å
14	R	40.7	Very low	48.1	Very low	226 Å²	226	142.7 Å²	142.7	85%	0.853	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-55.4	137.9	166.1	-84.8	173.6	150.5	175.4	-7.9	108	K12 Q16	K12-R14 PolarHBondContact O-N 3.14Å; R14-Q16 PolarHBondContact O-N 3.31Å
15	P	41	Very low	49.3	Very low	123 Å²	123	136.8 Å²	136.8	80%	0.799	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-58	125.1	168.6	25.3	-30.5	0	0	0	107.2	R17	P15-R17 PolarHBondContact O-N 2.77Å; P15-R17 VanDerWaalsContact O-N 3.13Å
16	Q	44.7	Very low	51.2	Low	191 Å²	191	126.1 Å²	126.1	89%	0.893	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-61.5	117.4	170.3	-79.6	-163.7	-31.1	0	0	106.8	R14 A18	R14-Q16 PolarHBondContact O-N 3.31Å; Q16-A18 VanDerWaalsContact C-N 3.35Å; Q16-A18 PolarHBondContact O-N 2.98Å
17	R	44.4	Very low	53.1	Low	220 Å²	220	125.1 Å²	125.1	83%	0.83	65%	0.646	S	S	*	*			trans	-62.9	101.3	165.6	-85.9	-179.8	166.4	175.5	-6.7	106.7	P15 T19	P15-R17 PolarHBondContact O-N 2.77Å; P15-R17 VanDerWaalsContact O-N 3.13Å; R17-T19 PolarHBondContact O-N 3.21Å
18	A	47.4	Very low	55	Low	80 Å²	80	122.4 Å²	122.4	66%	0.661	64%	0.636	S	S	*	*			trans	-74.1	49.5	161.3	0	0	0	0	0	109.6	Q16 S20	Q16-A18 VanDerWaalsContact C-N 3.35Å; Q16-A18 PolarHBondContact O-N 2.98Å; A18-S20 PolarHBondContact O-N 3.2Å
19	T	46.9	Very low	57.2	Low	90 Å²	90	122.2 Å²	122.2	55%	0.552	62%	0.623	S	S	*	*			trans	-96.8	53.2	163.6	61.6	0	0	0	0	107	R17 N21	R17-T19 PolarHBondContact O-N 3.21Å; T19-N21 PolarHBondContact O-N 3.41Å
20	S	49.5	Very low	59.1	Low	93 Å²	93	116 Å²	116	65%	0.65	60%	0.597	S	S	*	*	S	Bend	trans	-78.5	79.9	178.2	-52.3	0	0	0	0	107.6	A18 V22	A18-S20 PolarHBondContact O-N 3.2Å; S20-V22 VanDerWaalsContact C-N 3.34Å; S20-V22 PolarHBondContact O-N 2.87Å; S20-V22 VanDerWaalsContact O-N 3.08Å
21	N	65.1	Low	61.5	Low	119 Å²	119	110 Å²	110	64%	0.636	57%	0.565	S	S	*	*			trans	50.5	41.4	163.5	-124	16.6	0	0	0	116.2	T19 F23 A24	T19-N21 PolarHBondContact O-N 3.41Å; N21-F23 PolarHBondContact O-N 3.27Å; N21-F23 VanDerWaalsContact O-N 3.16Å; N21-A24 HydrophobicContact CB-CB 3.97Å; N21-A24 WeakPolarHBondContact ND2-CB 3.22Å; N21-A24 WeakPolarHBondContact O-CA 3.31Å; N21-A24 VanDerWaalsContact O-CB 3.3Å; N21-A24 WeakPolarHBondContact O-CB 3.41Å; N21-A24 PolarHBondContact O-N 3.01Å
22	V	70.2	Confident	63.6	Low	11 Å²	11	108.6 Å²	108.6	7%	0.067	55%	0.55	C	S	.	.	G	3₁₀ helix	trans	-54.1	-35.5	175.4	66.9	0	0	0	0	112.2	S20 A24 M25 F26 T84 L87	S20-V22 VanDerWaalsContact C-N 3.34Å; S20-V22 PolarHBondContact O-N 2.87Å; S20-V22 VanDerWaalsContact O-N 3.08Å; V22-A24 PolarHBondContact O-N 2.89Å; V22-M25 HydrophobicContact CG2-SD 4.44Å; V22-M25 WeakPolarHBondContact O-CB 3.27Å; V22-M25 PolarHBondContact O-N 3.17Å; V22-F26 HydrophobicContact CG2-CE2 4.08Å; V22-F26 WeakPolarHBondContact O-CD2 3.37Å; V22-T84 HydrophobicContact CG1-CG2 4.44Å; V22-L87 HydrophobicContact CG1-CB 4.41Å; V22-L87 HydrophobicContact CG2-CB 4.09Å; V22-L87 VanDerWaalsContact CG2-O 3.31Å; V22-L87 WeakPolarHBondContact CG2-O 3.22Å
23	F	69.3	Low	65.6	Low	90 Å²	90	106.1 Å²	106.1	40%	0.395	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-64.5	-17.2	174.1	-73.1	-85.8	0	0	0	114.2	N21 I31 F83 T84 L87	N21-F23 PolarHBondContact O-N 3.27Å; N21-F23 VanDerWaalsContact O-N 3.16Å; F23-I31 HydrophobicContact CD1-CD1 4.2Å; F23-F83 HydrophobicContact CE1-CE1 4.19Å; F23-F83 HydrophobicContact CZ-CE1 4.47Å; F23-T84 HydrophobicContact CE2-CG2 4.18Å; F23-L87 HydrophobicContact CD1-CD1 3.78Å; F23-L87 HydrophobicContact CE1-CD1 3.25Å; F23-L87 HydrophobicContact CE2-CD1 4.25Å; F23-L87 HydrophobicContact CG-CD1 4.47Å; F23-L87 HydrophobicContact CZ-CD1 3.53Å
24	A	74.6	Confident	67.7	Low	67 Å²	67	97.8 Å²	97.8	55%	0.554	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-89	-9	174.8	0	0	0	0	0	112.8	N21 V22 F26	N21-A24 HydrophobicContact CB-CB 3.97Å; N21-A24 WeakPolarHBondContact ND2-CB 3.22Å; N21-A24 WeakPolarHBondContact O-CA 3.31Å; N21-A24 VanDerWaalsContact O-CB 3.3Å; N21-A24 WeakPolarHBondContact O-CB 3.41Å; N21-A24 PolarHBondContact O-N 3.01Å; V22-A24 PolarHBondContact O-N 2.89Å; A24-F26 VanDerWaalsContact C-N 3.28Å
25	M	70.9	Confident	70.1	Confident	82 Å²	82	91.6 Å²	91.6	40%	0.404	48%	0.484	S	S	.	.	S	Bend	trans	-79.8	-15.5	174.6	-62.1	174.8	178.6	0	0	112.2	V22 N95	V22-M25 HydrophobicContact CG2-SD 4.44Å; V22-M25 WeakPolarHBondContact O-CB 3.27Å; V22-M25 PolarHBondContact O-N 3.17Å; M25-N95 WeakPolarHBondContact CE-ND2 3.42Å; M25-N95 PolarHBondContact SD-ND2 3Å; M25-N95 PolarHBondContact SD-OD1 2.91Å; M25-N95 VanDerWaalsContact SD-OD1 3.42Å
26	F	78.8	Confident	72.5	Confident	17 Å²	17	91 Å²	91	8%	0.075	47%	0.471	C	S	.	.	S	Bend	trans	-122.4	144.1	-174.2	-59.8	-64.6	0	0	0	110.8	V22 A24 Q30 I31 F34 L87 F90 G91 L94	V22-F26 HydrophobicContact CG2-CE2 4.08Å; V22-F26 WeakPolarHBondContact O-CD2 3.37Å; A24-F26 VanDerWaalsContact C-N 3.28Å; F26-Q30 HydrophobicContact CB-CB 4.12Å; F26-Q30 HydrophobicContact CD1-CB 4.39Å; F26-I31 HydrophobicContact CB-CD1 4.3Å; F26-I31 HydrophobicContact CB-CG1 3.74Å; F26-F34 AromaticContact CD1-CE2 3.7Å; F26-F34 HydrophobicContact CD1-CE2 3.7Å; F26-F34 HydrophobicContact CD2-CE2 4.48Å; F26-F34 AromaticContact CE1-CE2 3.6Å; F26-F34 HydrophobicContact CE1-CE2 3.6Å; F26-F34 HydrophobicContact CE1-CZ 4.03Å; F26-F34 HydrophobicContact CE2-CE2 4.39Å; F26-F34 HydrophobicContact CG-CE2 4.12Å; F26-F34 AromaticContact CZ-CE2 3.92Å; F26-F34 HydrophobicContact CZ-CE2 3.92Å; F26-F34 HydrophobicContact CZ-CZ 4.3Å; F26-L87 HydrophobicContact CD2-CD2 4.21Å; F26-L87 HydrophobicContact CE2-CD2 4.2Å; F26-F90 HydrophobicContact CZ-CB 4.45Å; F26-G91 VanDerWaalsContact CZ-CA 3.41Å; F26-L94 HydrophobicContact CE1-CD1 3.67Å; F26-L94 HydrophobicContact CZ-CD1 4.15Å
27	D	82.1	Confident	74.7	Confident	81 Å²	81	83.9 Å²	83.9	43%	0.433	44%	0.444	S	S	.	.			trans	-75.3	170	168.3	68.7	40.3	0	0	0	111.5	S29 Q30 I31	D27-S29 VanDerWaalsContact C-N 3.28Å; D27-S29 VanDerWaalsContact CG-OG 3.27Å; D27-S29 PolarHBondContact O-N 3.2Å; D27-S29 WeakPolarHBondContact OD1-CA 3.47Å; D27-S29 WeakPolarHBondContact OD1-CB 3.48Å; D27-S29 PolarHBondContact OD1-N 3.22Å; D27-S29 PolarHBondContact OD1-OG 2.86Å; D27-Q30 PolarHBondContact O-N 2.81Å; D27-Q30 WeakPolarHBondContact OD1-CB 3.47Å; D27-Q30 VanDerWaalsContact OD1-CG 3.32Å; D27-Q30 WeakPolarHBondContact OD1-CG 3.28Å; D27-Q30 PolarHBondContact OD1-N 3.24Å; D27-I31 VanDerWaalsContact O-CG1 3.27Å; D27-I31 WeakPolarHBondContact O-CG1 3.29Å; D27-I31 PolarHBondContact O-N 2.99Å
28	Q	80.6	Confident	77	Confident	154 Å²	154	73.7 Å²	73.7	72%	0.72	41%	0.406	S	S	*	.	H	α-helix	trans	-64.6	-31.8	-177.4	-71.1	-66.1	-40.5	0	0	112.9	Q32	Q28-Q32 WeakPolarHBondContact O-CB 3.47Å; Q28-Q32 PolarHBondContact O-N 3.11Å; Q28-Q32 VanDerWaalsContact O-N 3.07Å
29	S	82.8	Confident	79.1	Confident	71 Å²	71	74.2 Å²	74.2	50%	0.497	40%	0.398	S	S	.	.	H	α-helix	trans	-66.3	-47.5	175.8	23.2	0	0	0	0	111.3	D27 I31 Q32 E33	D27-S29 VanDerWaalsContact C-N 3.28Å; D27-S29 VanDerWaalsContact CG-OG 3.27Å; D27-S29 PolarHBondContact O-N 3.2Å; D27-S29 WeakPolarHBondContact OD1-CA 3.47Å; D27-S29 WeakPolarHBondContact OD1-CB 3.48Å; D27-S29 PolarHBondContact OD1-N 3.22Å; D27-S29 PolarHBondContact OD1-OG 2.86Å; S29-I31 PolarHBondContact O-N 3.37Å; S29-Q32 WeakPolarHBondContact O-CB 3.31Å; S29-Q32 PolarHBondContact O-N 3.07Å; S29-Q32 VanDerWaalsContact O-N 3.12Å; S29-E33 WeakPolarHBondContact O-CG 3.46Å; S29-E33 PolarHBondContact O-N 3.13Å
30	Q	82	Confident	81.1	Confident	70 Å²	70	75.8 Å²	75.8	33%	0.327	40%	0.4	S	S	.	.	H	α-helix	trans	-61.6	-44.2	177.3	-70.2	175.8	-44.1	0	0	111.2	F26 D27 Q32 E33 F34	F26-Q30 HydrophobicContact CB-CB 4.12Å; F26-Q30 HydrophobicContact CD1-CB 4.39Å; D27-Q30 PolarHBondContact O-N 2.81Å; D27-Q30 WeakPolarHBondContact OD1-CB 3.47Å; D27-Q30 VanDerWaalsContact OD1-CG 3.32Å; D27-Q30 WeakPolarHBondContact OD1-CG 3.28Å; D27-Q30 PolarHBondContact OD1-N 3.24Å; Q30-Q32 PolarHBondContact O-N 3.19Å; Q30-E33 PolarHBondContact O-N 2.93Å; Q30-F34 HydrophobicContact CB-CD2 4.46Å; Q30-F34 HydrophobicContact CB-CE2 4.2Å; Q30-F34 WeakPolarHBondContact O-CD2 3.37Å; Q30-F34 WeakPolarHBondContact O-CG 3.48Å; Q30-F34 PolarHBondContact O-N 2.96Å
31	I	86.8	Confident	83.2	Confident	18 Å²	18	72.3 Å²	72.3	9%	0.092	37%	0.374	C	S	.	.	H	α-helix	trans	-59.1	-39.7	175.8	-67.2	165.5	0	0	0	110.8	F23 F26 D27 S29 K35	F23-I31 HydrophobicContact CD1-CD1 4.2Å; F26-I31 HydrophobicContact CB-CD1 4.3Å; F26-I31 HydrophobicContact CB-CG1 3.74Å; D27-I31 VanDerWaalsContact O-CG1 3.27Å; D27-I31 WeakPolarHBondContact O-CG1 3.29Å; D27-I31 PolarHBondContact O-N 2.99Å; S29-I31 PolarHBondContact O-N 3.37Å; I31-K35 WeakPolarHBondContact O-CB 3.24Å; I31-K35 PolarHBondContact O-N 3.18Å
32	Q	86.9	Confident	84.6	Confident	90 Å²	90	67 Å²	67	42%	0.421	35%	0.346	S	S	.	.	H	α-helix	trans	-68.3	-43.3	178.4	-175.3	57.5	39	0	0	111.6	Q28 S29 Q30 K35 E36	Q28-Q32 WeakPolarHBondContact O-CB 3.47Å; Q28-Q32 PolarHBondContact O-N 3.11Å; Q28-Q32 VanDerWaalsContact O-N 3.07Å; S29-Q32 WeakPolarHBondContact O-CB 3.31Å; S29-Q32 PolarHBondContact O-N 3.07Å; S29-Q32 VanDerWaalsContact O-N 3.12Å; Q30-Q32 PolarHBondContact O-N 3.19Å; Q32-K35 WeakPolarHBondContact O-CB 3.49Å; Q32-K35 PolarHBondContact O-N 3.28Å; Q32-E36 PolarHBondContact NE2-OE1 2.91Å; Q32-E36 WeakPolarHBondContact O-CG 3.28Å; Q32-E36 PolarHBondContact O-N 3.49Å
33	E	87.5	Confident	85.4	Confident	131 Å²	131	71.3 Å²	71.3	61%	0.612	37%	0.365	S	S	*	.	H	α-helix	trans	-60	-46.2	173.8	-72.3	177.1	-174.3	0	0	111.7	S29 Q30 K35 E36 A37	S29-E33 WeakPolarHBondContact O-CG 3.46Å; S29-E33 PolarHBondContact O-N 3.13Å; Q30-E33 PolarHBondContact O-N 2.93Å; E33-K35 VanDerWaalsContact C-N 3.26Å; E33-K35 PolarHBondContact O-N 2.92Å; E33-E36 PolarHBondContact O-N 2.83Å; E33-A37 WeakPolarHBondContact O-CB 3.4Å; E33-A37 PolarHBondContact O-N 2.89Å
34	F	89.6	Confident	86.4	Confident	30 Å²	30	70.9 Å²	70.9	13%	0.132	37%	0.367	C	S	.	.	H	α-helix	trans	-61.8	-36.6	175.5	-72.5	-54.4	0	0	0	112.2	F26 Q30 F38 F83 F86 L87 F90 L94	F26-F34 AromaticContact CD1-CE2 3.7Å; F26-F34 HydrophobicContact CD1-CE2 3.7Å; F26-F34 HydrophobicContact CD2-CE2 4.48Å; F26-F34 AromaticContact CE1-CE2 3.6Å; F26-F34 HydrophobicContact CE1-CE2 3.6Å; F26-F34 HydrophobicContact CE1-CZ 4.03Å; F26-F34 HydrophobicContact CE2-CE2 4.39Å; F26-F34 HydrophobicContact CG-CE2 4.12Å; F26-F34 AromaticContact CZ-CE2 3.92Å; F26-F34 HydrophobicContact CZ-CE2 3.92Å; F26-F34 HydrophobicContact CZ-CZ 4.3Å; Q30-F34 HydrophobicContact CB-CD2 4.46Å; Q30-F34 HydrophobicContact CB-CE2 4.2Å; Q30-F34 WeakPolarHBondContact O-CD2 3.37Å; Q30-F34 WeakPolarHBondContact O-CG 3.48Å; Q30-F34 PolarHBondContact O-N 2.96Å; F34-F38 VanDerWaalsContact O-CB 3.27Å; F34-F38 WeakPolarHBondContact O-CB 3.5Å; F34-F38 PolarHBondContact O-N 2.7Å; F34-F83 HydrophobicContact CB-CE2 4.22Å; F34-F83 HydrophobicContact CB-CZ 4.45Å; F34-F86 HydrophobicContact CB-CE1 4.26Å; F34-F86 HydrophobicContact CD1-CE1 4.06Å; F34-L87 HydrophobicContact CB-CD2 3.65Å; F34-L87 HydrophobicContact CD2-CD2 3.48Å; F34-L87 VanDerWaalsContact CD2-CD2 3.48Å; F34-L87 HydrophobicContact CE2-CD2 4.33Å; F34-L87 HydrophobicContact CG-CD2 3.71Å; F34-F90 HydrophobicContact CD1-CD1 4.47Å; F34-F90 HydrophobicContact CD1-CG 4.26Å; F34-F90 HydrophobicContact CE1-CB 3.94Å; F34-F90 AromaticContact CE1-CD1 3.61Å; F34-F90 HydrophobicContact CE1-CD1 3.61Å; F34-F90 HydrophobicContact CE1-CD2 4.34Å; F34-F90 HydrophobicContact CE1-CE1 4.2Å; F34-F90 AromaticContact CE1-CG 3.68Å; F34-F90 HydrophobicContact CE1-CG 3.68Å; F34-F90 HydrophobicContact CZ-CB 4.09Å; F34-F90 HydrophobicContact CZ-CD1 4.25Å; F34-F90 HydrophobicContact CZ-CG 4.3Å; F34-L94 HydrophobicContact CZ-CD1 4Å
35	K	90.8	Very high	87.2	Confident	96 Å²	96	78 Å²	78	42%	0.417	38%	0.38	S	S	.	.	H	α-helix	trans	-67.4	-39.7	177.1	-172.5	176	-179.3	-178.2	0	111.7	I31 Q32 E33 F38 N39 F83	I31-K35 WeakPolarHBondContact O-CB 3.24Å; I31-K35 PolarHBondContact O-N 3.18Å; Q32-K35 WeakPolarHBondContact O-CB 3.49Å; Q32-K35 PolarHBondContact O-N 3.28Å; E33-K35 VanDerWaalsContact C-N 3.26Å; E33-K35 PolarHBondContact O-N 2.92Å; K35-F38 PolarHBondContact O-N 3.38Å; K35-N39 WeakPolarHBondContact O-CB 3.28Å; K35-N39 PolarHBondContact O-N 2.77Å; K35-N39 PolarHBondContact O-ND2 2.91Å; K35-N39 VanDerWaalsContact O-ND2 3.11Å; K35-F83 VanDerWaalsContact CA-CE2 3.47Å; K35-F83 HydrophobicContact CB-CE2 3.99Å; K35-F83 HydrophobicContact CB-CZ 3.71Å; K35-F83 HydrophobicContact CG-CZ 4.26Å
36	E	91.3	Very high	88.3	Confident	110 Å²	110	78.4 Å²	78.4	51%	0.514	38%	0.383	S	S	.	.	H	α-helix	trans	-66.5	-44.2	175.6	-73.7	172.1	-161.8	0	0	111.4	Q32 E33 N39 M40	Q32-E36 PolarHBondContact NE2-OE1 2.91Å; Q32-E36 WeakPolarHBondContact O-CG 3.28Å; Q32-E36 PolarHBondContact O-N 3.49Å; E33-E36 PolarHBondContact O-N 2.83Å; E36-N39 PolarHBondContact O-N 2.8Å; E36-M40 PolarHBondContact O-N 3.29Å
37	A	90.7	Very high	88.9	Confident	41 Å²	41	79 Å²	79	34%	0.339	40%	0.395	S	S	.	.	H	α-helix	trans	-60.4	-45.9	173.7	0	0	0	0	0	111.6	E33 N39 M40 I41	E33-A37 WeakPolarHBondContact O-CB 3.4Å; E33-A37 PolarHBondContact O-N 2.89Å; A37-N39 PolarHBondContact O-N 3.13Å; A37-M40 WeakPolarHBondContact O-CB 3.37Å; A37-M40 PolarHBondContact O-N 3.35Å; A37-M40 VanDerWaalsContact O-N 3.12Å; A37-I41 WeakPolarHBondContact O-CG1 3.47Å; A37-I41 PolarHBondContact O-N 3.13Å; A37-I41 VanDerWaalsContact O-N 3.14Å
38	F	92.8	Very high	89.5	Confident	6 Å²	6	79.5 Å²	79.5	3%	0.026	39%	0.393	C	S	.	.	H	α-helix	trans	-59.3	-46.7	177.4	-173.6	-86	0	0	0	111.6	F34 K35 M40 I41 D42 G47 I49 F83 F86	F34-F38 VanDerWaalsContact O-CB 3.27Å; F34-F38 WeakPolarHBondContact O-CB 3.5Å; F34-F38 PolarHBondContact O-N 2.7Å; K35-F38 PolarHBondContact O-N 3.38Å; F38-M40 PolarHBondContact O-N 3.37Å; F38-I41 PolarHBondContact O-N 2.91Å; F38-D42 HydrophobicContact CD1-CB 4.22Å; F38-D42 HydrophobicContact CE1-CB 3.88Å; F38-D42 WeakPolarHBondContact O-CB 3.29Å; F38-D42 PolarHBondContact O-N 3.33Å; F38-G47 WeakPolarHBondContact CZ-O 3.42Å; F38-I49 HydrophobicContact CD2-CD1 3.53Å; F38-I49 HydrophobicContact CD2-CG1 4.13Å; F38-I49 HydrophobicContact CE2-CD1 3.43Å; F38-I49 VanDerWaalsContact CE2-CD1 3.43Å; F38-I49 HydrophobicContact CE2-CG1 3.61Å; F38-I49 HydrophobicContact CG-CD1 4.42Å; F38-I49 HydrophobicContact CZ-CD1 4.26Å; F38-I49 HydrophobicContact CZ-CG1 3.95Å; F38-F83 HydrophobicContact CB-CD2 3.71Å; F38-F83 HydrophobicContact CB-CE2 4.04Å; F38-F83 HydrophobicContact CD1-CB 4.4Å; F38-F83 HydrophobicContact CD1-CD2 4.22Å; F38-F83 HydrophobicContact CD2-CB 4.33Å; F38-F83 AromaticContact CD2-CD2 3.88Å; F38-F83 HydrophobicContact CD2-CD2 3.88Å; F38-F83 HydrophobicContact CE1-CB 4.36Å; F38-F83 HydrophobicContact CE2-CB 4.27Å; F38-F83 HydrophobicContact CG-CB 4.41Å; F38-F83 AromaticContact CG-CD2 3.66Å; F38-F83 HydrophobicContact CG-CD2 3.66Å; F38-F83 HydrophobicContact CG-CE2 4.47Å; F38-F83 HydrophobicContact CG-CG 4.48Å; F38-F83 HydrophobicContact CZ-CB 4.29Å; F38-F86 HydrophobicContact CB-CD1 4.43Å; F38-F86 HydrophobicContact CB-CE1 4.39Å; F38-F86 HydrophobicContact CD2-CB 3.86Å; F38-F86 HydrophobicContact CD2-CD1 4.09Å; F38-F86 HydrophobicContact CD2-CD2 4.05Å; F38-F86 AromaticContact CD2-CG 3.76Å; F38-F86 HydrophobicContact CD2-CG 3.76Å; F38-F86 HydrophobicContact CE2-CB 4.11Å; F38-F86 HydrophobicContact CE2-CG 4.42Å
39	N	91.6	Very high	90.1	Very high	91 Å²	91	72.5 Å²	72.5	49%	0.487	36%	0.36	S	S	.	.	H	α-helix	trans	-66.2	-21.7	178.1	-68.5	-26.1	0	0	0	113.6	K35 E36 A37	K35-N39 WeakPolarHBondContact O-CB 3.28Å; K35-N39 PolarHBondContact O-N 2.77Å; K35-N39 PolarHBondContact O-ND2 2.91Å; K35-N39 VanDerWaalsContact O-ND2 3.11Å; E36-N39 PolarHBondContact O-N 2.8Å; A37-N39 PolarHBondContact O-N 3.13Å
40	M	89.6	Confident	90.7	Very high	123 Å²	123	71.4 Å²	71.4	61%	0.606	35%	0.349	S	S	*	.	H	α-helix	trans	-78.5	-28.6	173.8	-171.4	-179.9	-63.7	0	0	111.5	E36 A37 F38 Q43	E36-M40 PolarHBondContact O-N 3.29Å; A37-M40 WeakPolarHBondContact O-CB 3.37Å; A37-M40 PolarHBondContact O-N 3.35Å; A37-M40 VanDerWaalsContact O-N 3.12Å; F38-M40 PolarHBondContact O-N 3.37Å; M40-Q43 PolarHBondContact O-NE2 3.33Å
41	I	92.6	Very high	91.2	Very high	20 Å²	20	70.3 Å²	70.3	10%	0.103	34%	0.343	C	S	.	.	H	α-helix	trans	-83.7	-47.9	178	-58.7	162.1	0	0	0	110.3	A37 F38 Q43 I49 D53 L54 M57 F86	A37-I41 WeakPolarHBondContact O-CG1 3.47Å; A37-I41 PolarHBondContact O-N 3.13Å; A37-I41 VanDerWaalsContact O-N 3.14Å; F38-I41 PolarHBondContact O-N 2.91Å; I41-Q43 VanDerWaalsContact C-N 3.3Å; I41-Q43 PolarHBondContact O-N 2.91Å; I41-I49 HydrophobicContact CB-CD1 4.01Å; I41-I49 HydrophobicContact CB-CG1 4.29Å; I41-I49 HydrophobicContact CD1-CD1 4.15Å; I41-I49 HydrophobicContact CG2-CB 4.39Å; I41-I49 HydrophobicContact CG2-CD1 3.76Å; I41-I49 HydrophobicContact CG2-CG1 3.81Å; I41-I49 HydrophobicContact CG2-CG2 3.7Å; I41-D53 HydrophobicContact CG2-CB 4.45Å; I41-D53 WeakPolarHBondContact O-CB 3.5Å; I41-L54 HydrophobicContact CG2-CD2 3.86Å; I41-M57 HydrophobicContact CG1-CE 4.38Å; I41-M57 HydrophobicContact CG1-CG 4.22Å; I41-F86 HydrophobicContact CD1-CE2 4Å; I41-F86 HydrophobicContact CD1-CZ 4.25Å
42	D	94.2	Very high	91.5	Very high	7 Å²	7	75 Å²	75	4%	0.037	37%	0.365	C	S	.	.			trans	-69.9	80.3	178.5	178.6	9.5	0	0	0	110.8	F38 N44 R45 D46 G47	F38-D42 HydrophobicContact CD1-CB 4.22Å; F38-D42 HydrophobicContact CE1-CB 3.88Å; F38-D42 WeakPolarHBondContact O-CB 3.29Å; F38-D42 PolarHBondContact O-N 3.33Å; D42-N44 VanDerWaalsContact C-N 3.35Å; D42-N44 PolarHBondContact OD1-OD1 3.35Å; D42-N44 VanDerWaalsContact OD1-OD1 3.05Å; D42-R45 PolarHBondContact O-N 3.4Å; D42-R45 WeakPolarHBondContact OD1-CA 3.32Å; D42-R45 PolarHBondContact OD1-N 3.48Å; D42-R45 WeakPolarHBondContact OD2-CA 3.47Å; D42-D46 PolarHBondContact OD1-N 3.49Å; D42-G47 VanDerWaalsContact OD2-CA 3.29Å; D42-G47 WeakPolarHBondContact OD2-CA 3.4Å; D42-G47 PolarHBondContact OD2-N 2.84Å
43	Q	88.6	Confident	91.8	Very high	103 Å²	103	71 Å²	71	48%	0.481	35%	0.346	S	S	.	.	S	Bend	trans	-69.2	-37.9	-175.5	-70.2	-66.3	-41.3	0	0	110.8	M40 I41 R45 D53 D56	M40-Q43 PolarHBondContact O-NE2 3.33Å; I41-Q43 VanDerWaalsContact C-N 3.3Å; I41-Q43 PolarHBondContact O-N 2.91Å; Q43-R45 VanDerWaalsContact C-N 3.32Å; Q43-D53 PolarHBondContact N-OD1 3.44Å; Q43-D53 VanDerWaalsContact N-OD1 3.07Å; Q43-D56 HydrophobicContact CG-CB 4.45Å
44	N	90.5	Very high	92	Very high	81 Å²	81	65.5 Å²	65.5	43%	0.433	32%	0.321	S	S	.	.	S	Bend	trans	-80	-14.5	-177.9	74.4	30.6	0	0	0	113	D42 D46	D42-N44 VanDerWaalsContact C-N 3.35Å; D42-N44 PolarHBondContact OD1-OD1 3.35Å; D42-N44 VanDerWaalsContact OD1-OD1 3.05Å; N44-D46 VanDerWaalsContact C-N 3.33Å; N44-D46 VanDerWaalsContact OD1-CB 3.22Å; N44-D46 WeakPolarHBondContact OD1-CB 3.4Å; N44-D46 PolarHBondContact OD1-N 3.33Å; N44-D46 PolarHBondContact OD1-OD1 2.95Å
45	R	91	Very high	92.1	Very high	217 Å²	217	67.4 Å²	67.4	82%	0.819	33%	0.33	S	S	*	.			trans	61.8	33	178.4	-56.9	-175.2	179.1	-173	-0.4	114.2	D42 Q43 G47	D42-R45 PolarHBondContact O-N 3.4Å; D42-R45 WeakPolarHBondContact OD1-CA 3.32Å; D42-R45 PolarHBondContact OD1-N 3.48Å; D42-R45 WeakPolarHBondContact OD2-CA 3.47Å; Q43-R45 VanDerWaalsContact C-N 3.32Å; R45-G47 VanDerWaalsContact C-N 3.3Å
46	D	93	Very high	92.1	Very high	90 Å²	90	66.9 Å²	66.9	48%	0.481	33%	0.332	S	S	.	.	S	Bend	trans	-85.2	-7	177.3	83.8	1.5	0	0	0	112.9	D42 N44 F48	D42-D46 PolarHBondContact OD1-N 3.49Å; N44-D46 VanDerWaalsContact C-N 3.33Å; N44-D46 VanDerWaalsContact OD1-CB 3.22Å; N44-D46 WeakPolarHBondContact OD1-CB 3.4Å; N44-D46 PolarHBondContact OD1-N 3.33Å; N44-D46 PolarHBondContact OD1-OD1 2.95Å; D46-F48 WeakPolarHBondContact OD1-CA 3.48Å; D46-F48 WeakPolarHBondContact OD1-CB 3.5Å; D46-F48 PolarHBondContact OD1-N 3.1Å; D46-F48 VanDerWaalsContact OD1-O 3.11Å
47	G	92.7	Very high	92.1	Very high	30 Å²	30	63.6 Å²	63.6	31%	0.309	32%	0.317	S	S	.	.	S	Bend	trans	85.9	9	179.2	0	0	0	0	0	114.3	F38 D42 R45 N82	F38-G47 WeakPolarHBondContact CZ-O 3.42Å; D42-G47 VanDerWaalsContact OD2-CA 3.29Å; D42-G47 WeakPolarHBondContact OD2-CA 3.4Å; D42-G47 PolarHBondContact OD2-N 2.84Å; R45-G47 VanDerWaalsContact C-N 3.3Å; G47-N82 WeakPolarHBondContact O-CA 3.42Å
48	F	94.4	Very high	92	Very high	90 Å²	90	63 Å²	63	40%	0.395	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	147.4	174	-60.8	-93.6	0	0	0	109.4	D46 P80 I81 N82	D46-F48 WeakPolarHBondContact OD1-CA 3.48Å; D46-F48 WeakPolarHBondContact OD1-CB 3.5Å; D46-F48 PolarHBondContact OD1-N 3.1Å; D46-F48 VanDerWaalsContact OD1-O 3.11Å; F48-P80 HydrophobicContact CD1-CB 3.94Å; F48-P80 HydrophobicContact CE1-CB 4.1Å; F48-I81 CarbonylContact C-O 3.56Å; F48-I81 WeakPolarHBondContact CA-O 3.43Å; F48-N82 HydrophobicContact CD1-CB 3.82Å; F48-N82 HydrophobicContact CE1-CB 3.74Å; F48-N82 HydrophobicContact CZ-CB 4.43Å
49	I	93.7	Very high	91.8	Very high	8 Å²	8	64.5 Å²	64.5	4%	0.041	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	123.7	170.2	-65.9	168.5	0	0	0	107.5	F38 I41 D53 L54 M74 I81 F86	F38-I49 HydrophobicContact CD2-CD1 3.53Å; F38-I49 HydrophobicContact CD2-CG1 4.13Å; F38-I49 HydrophobicContact CE2-CD1 3.43Å; F38-I49 VanDerWaalsContact CE2-CD1 3.43Å; F38-I49 HydrophobicContact CE2-CG1 3.61Å; F38-I49 HydrophobicContact CG-CD1 4.42Å; F38-I49 HydrophobicContact CZ-CD1 4.26Å; F38-I49 HydrophobicContact CZ-CG1 3.95Å; I41-I49 HydrophobicContact CB-CD1 4.01Å; I41-I49 HydrophobicContact CB-CG1 4.29Å; I41-I49 HydrophobicContact CD1-CD1 4.15Å; I41-I49 HydrophobicContact CG2-CB 4.39Å; I41-I49 HydrophobicContact CG2-CD1 3.76Å; I41-I49 HydrophobicContact CG2-CG1 3.81Å; I41-I49 HydrophobicContact CG2-CG2 3.7Å; I49-D53 HydrophobicContact CG2-CB 4.43Å; I49-L54 HydrophobicContact CG2-CD1 4.39Å; I49-L54 HydrophobicContact CG2-CD2 3.9Å; I49-L54 HydrophobicContact CG2-CG 3.78Å; I49-M74 WeakPolarHBondContact O-CE 3.41Å; I49-I81 HydrophobicContact CB-CB 4.13Å; I49-I81 HydrophobicContact CB-CG2 4.12Å; I49-I81 HydrophobicContact CD1-CG2 4.15Å; I49-I81 PolarHBondContact N-O 3.44Å; I49-F86 HydrophobicContact CD1-CD2 3.87Å; I49-F86 HydrophobicContact CD1-CE2 4.09Å
50	D	93.6	Very high	91.6	Very high	48 Å²	48	64.6 Å²	64.6	26%	0.257	33%	0.329	S	S	.	.			trans	-111.4	-175.7	172.6	68.4	23.3	0	0	0	113	E52 D53 L54	D50-E52 VanDerWaalsContact C-N 3.31Å; D50-E52 WeakPolarHBondContact OD1-CB 3.36Å; D50-E52 PolarHBondContact OD1-N 3.34Å; D50-E52 VanDerWaalsContact OD1-N 3.11Å; D50-D53 PolarHBondContact N-OD2 3.39Å; D50-D53 PolarHBondContact OD1-N 2.97Å; D50-L54 PolarHBondContact O-N 3.16Å
51	K	93.3	Very high	91.5	Very high	46 Å²	46	64.1 Å²	64.1	20%	0.2	33%	0.328	C	S	.	.	H	α-helix	trans	-68	-37.5	-176.8	-176.5	179.5	175	-176.3	0	110.4	H55 D67 L70 E71 M74	K51-H55 WeakPolarHBondContact O-CB 3.48Å; K51-H55 PolarHBondContact O-N 2.95Å; K51-D67 IonicContact NZ-OD2 2.84Å; K51-D67 PolarHBondContact NZ-OD2 3.4Å; K51-L70 HydrophobicContact CG-CB 3.94Å; K51-L70 HydrophobicContact CG-CD1 4.18Å; K51-E71 HydrophobicContact CD-CG 4.34Å; K51-E71 IonicContact NZ-OE1 3Å; K51-E71 PolarHBondContact NZ-OE1 2.6Å; K51-M74 HydrophobicContact CB-CG 4.48Å
52	E	92.4	Very high	91.2	Very high	118 Å²	118	66.3 Å²	66.3	55%	0.551	36%	0.356	S	S	*	.	H	α-helix	trans	-66.3	-44.1	179.2	-68.5	73.1	-168.9	0	0	111.3	D50 L54 H55 D56	D50-E52 VanDerWaalsContact C-N 3.31Å; D50-E52 WeakPolarHBondContact OD1-CB 3.36Å; D50-E52 PolarHBondContact OD1-N 3.34Å; D50-E52 VanDerWaalsContact OD1-N 3.11Å; E52-L54 PolarHBondContact O-N 3.17Å; E52-H55 WeakPolarHBondContact O-CB 3.41Å; E52-H55 PolarHBondContact O-N 2.9Å; E52-D56 WeakPolarHBondContact O-CB 3.41Å; E52-D56 PolarHBondContact O-N 3.34Å
53	D	94	Very high	90.9	Very high	4 Å²	4	72.6 Å²	72.6	2%	0.021	38%	0.383	C	S	.	.	H	α-helix	trans	-58.1	-46.1	174.4	-75	-40.7	0	0	0	112.1	I41 Q43 I49 D50 D56 M57	I41-D53 HydrophobicContact CG2-CB 4.45Å; I41-D53 WeakPolarHBondContact O-CB 3.5Å; Q43-D53 PolarHBondContact N-OD1 3.44Å; Q43-D53 VanDerWaalsContact N-OD1 3.07Å; I49-D53 HydrophobicContact CG2-CB 4.43Å; D50-D53 PolarHBondContact N-OD2 3.39Å; D50-D53 PolarHBondContact OD1-N 2.97Å; D53-D56 PolarHBondContact O-N 3.49Å; D53-M57 WeakPolarHBondContact O-CB 3.49Å; D53-M57 PolarHBondContact O-N 3.31Å
54	L	91.5	Very high	90.9	Very high	16 Å²	16	74.9 Å²	74.9	8%	0.084	40%	0.398	C	S	.	.	H	α-helix	trans	-65.8	-40.6	176.7	-70.7	178.4	0	0	0	112.2	I41 I49 D50 E52 L58 L70 M73 M74	I41-L54 HydrophobicContact CG2-CD2 3.86Å; I49-L54 HydrophobicContact CG2-CD1 4.39Å; I49-L54 HydrophobicContact CG2-CD2 3.9Å; I49-L54 HydrophobicContact CG2-CG 3.78Å; D50-L54 PolarHBondContact O-N 3.16Å; E52-L54 PolarHBondContact O-N 3.17Å; L54-L58 WeakPolarHBondContact O-CB 3.36Å; L54-L58 VanDerWaalsContact O-CG 3.32Å; L54-L58 WeakPolarHBondContact O-CG 3.11Å; L54-L58 PolarHBondContact O-N 3.47Å; L54-L70 HydrophobicContact CB-CD2 3.84Å; L54-M73 HydrophobicContact CD1-CB 4.23Å; L54-M73 HydrophobicContact CD2-CE 4.45Å; L54-M74 HydrophobicContact CD1-CG 4.1Å; L54-M74 HydrophobicContact CD1-SD 3.5Å; L54-M74 VanDerWaalsContact CD1-SD 3.5Å; L54-M74 HydrophobicContact CG-SD 4.46Å
55	H	92.2	Very high	90.9	Very high	70 Å²	70	72 Å²	72	32%	0.324	38%	0.384	S	S	.	.	H	α-helix	trans	-59.1	-51.5	175.5	175.1	-85.6	0	0	0	110.6	K51 E52 M57 L58 A59 L70	K51-H55 WeakPolarHBondContact O-CB 3.48Å; K51-H55 PolarHBondContact O-N 2.95Å; E52-H55 WeakPolarHBondContact O-CB 3.41Å; E52-H55 PolarHBondContact O-N 2.9Å; H55-M57 PolarHBondContact O-N 3.25Å; H55-L58 PolarHBondContact O-N 2.86Å; H55-A59 WeakPolarHBondContact O-CB 3.45Å; H55-A59 PolarHBondContact O-N 3.36Å; H55-L70 HydrophobicContact CB-CD1 3.7Å
56	D	90.8	Very high	90.9	Very high	86 Å²	86	65.9 Å²	65.9	46%	0.46	37%	0.371	S	S	.	.	H	α-helix	trans	-67.4	-38.8	-176.3	-72.8	-5.7	0	0	0	111.7	Q43 E52 D53 A59 S60	Q43-D56 HydrophobicContact CG-CB 4.45Å; E52-D56 WeakPolarHBondContact O-CB 3.41Å; E52-D56 PolarHBondContact O-N 3.34Å; D53-D56 PolarHBondContact O-N 3.49Å; D56-A59 PolarHBondContact O-N 3.3Å; D56-S60 WeakPolarHBondContact O-CB 3.45Å; D56-S60 PolarHBondContact O-N 2.9Å
57	M	91.2	Very high	90.8	Very high	41 Å²	41	66.1 Å²	66.1	20%	0.202	37%	0.373	C	S	.	.	H	α-helix	trans	-60.9	-50.4	173.4	-177.7	-85.4	-166.9	0	0	111.4	I41 D53 H55 A59 S60 L61	I41-M57 HydrophobicContact CG1-CE 4.38Å; I41-M57 HydrophobicContact CG1-CG 4.22Å; D53-M57 WeakPolarHBondContact O-CB 3.49Å; D53-M57 PolarHBondContact O-N 3.31Å; H55-M57 PolarHBondContact O-N 3.25Å; M57-A59 PolarHBondContact O-N 3.06Å; M57-S60 WeakPolarHBondContact O-CB 3.25Å; M57-S60 PolarHBondContact O-N 3.21Å; M57-S60 PolarHBondContact O-OG 3.21Å; M57-L61 HydrophobicContact CE-CD1 3.79Å; M57-L61 PolarHBondContact O-N 2.86Å; M57-L61 HydrophobicContact SD-CD1 3.79Å
58	L	88.9	Confident	90.8	Very high	29 Å²	29	72.2 Å²	72.2	15%	0.152	39%	0.393	C	S	.	.	H	α-helix	trans	-67.7	-37.3	179.8	-71.8	172.3	0	0	0	112.2	L54 H55 S60 L61 G62 K63 P65 Y69 L70 M73	L54-L58 WeakPolarHBondContact O-CB 3.36Å; L54-L58 VanDerWaalsContact O-CG 3.32Å; L54-L58 WeakPolarHBondContact O-CG 3.11Å; L54-L58 PolarHBondContact O-N 3.47Å; H55-L58 PolarHBondContact O-N 2.86Å; L58-S60 VanDerWaalsContact C-N 3.31Å; L58-S60 PolarHBondContact O-N 3.33Å; L58-L61 CarbonylContact O-C 3.58Å; L58-L61 PolarHBondContact O-N 3.47Å; L58-L61 VanDerWaalsContact O-N 3.15Å; L58-G62 PolarHBondContact O-N 3.25Å; L58-K63 CarbonylContact C-O 3.46Å; L58-K63 VanDerWaalsContact C-O 3.25Å; L58-K63 HydrophobicContact CB-CB 4.34Å; L58-K63 WeakPolarHBondContact O-CB 3.34Å; L58-K63 PolarHBondContact O-N 3.01Å; L58-K63 VanDerWaalsContact O-O 3.05Å; L58-P65 HydrophobicContact CB-CG 3.83Å; L58-P65 HydrophobicContact CD1-CB 3.81Å; L58-P65 HydrophobicContact CD1-CG 3.81Å; L58-P65 HydrophobicContact CG-CG 4.48Å; L58-Y69 HydrophobicContact CD1-CE1 4.12Å; L58-L70 HydrophobicContact CD1-CD2 3.86Å; L58-M73 HydrophobicContact CD1-SD 4.4Å
59	A	88.9	Confident	90.6	Very high	37 Å²	37	74 Å²	74	31%	0.306	40%	0.398	S	S	.	.	H	α-helix	trans	-60.7	-40	172.4	0	0	0	0	0	111.8	H55 D56 M57 L61 G62 K63	H55-A59 WeakPolarHBondContact O-CB 3.45Å; H55-A59 PolarHBondContact O-N 3.36Å; D56-A59 PolarHBondContact O-N 3.3Å; M57-A59 PolarHBondContact O-N 3.06Å; A59-L61 PolarHBondContact O-N 3.46Å; A59-G62 WeakPolarHBondContact O-CA 3.28Å; A59-G62 PolarHBondContact O-N 3.38Å; A59-K63 VanDerWaalsContact CA-O 3.22Å; A59-K63 WeakPolarHBondContact CA-O 3.46Å; A59-K63 PolarHBondContact N-O 3.44Å
60	S	87.4	Confident	90.5	Very high	92 Å²	92	73.6 Å²	73.6	64%	0.643	40%	0.396	S	S	*	.	H	α-helix	trans	-63.8	-28.7	175.9	82.6	0	0	0	0	113.2	D56 M57 L58 G62	D56-S60 WeakPolarHBondContact O-CB 3.45Å; D56-S60 PolarHBondContact O-N 2.9Å; M57-S60 WeakPolarHBondContact O-CB 3.25Å; M57-S60 PolarHBondContact O-N 3.21Å; M57-S60 PolarHBondContact O-OG 3.21Å; L58-S60 VanDerWaalsContact C-N 3.31Å; L58-S60 PolarHBondContact O-N 3.33Å; S60-G62 PolarHBondContact O-N 2.83Å
61	L	86.1	Confident	90.4	Very high	113 Å²	113	76 Å²	76	59%	0.592	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	5.1	173.2	-63.3	176.8	0	0	0	113.1	M57 L58 A59 K63	M57-L61 HydrophobicContact CE-CD1 3.79Å; M57-L61 PolarHBondContact O-N 2.86Å; M57-L61 HydrophobicContact SD-CD1 3.79Å; L58-L61 CarbonylContact O-C 3.58Å; L58-L61 PolarHBondContact O-N 3.47Å; L58-L61 VanDerWaalsContact O-N 3.15Å; A59-L61 PolarHBondContact O-N 3.46Å; L61-K63 VanDerWaalsContact C-N 3.31Å; L61-K63 PolarHBondContact O-N 2.99Å
62	G	87.8	Confident	90.2	Very high	67 Å²	67	76.5 Å²	76.5	69%	0.691	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	16.1	-179.5	0	0	0	0	0	114.1	L58 A59 S60	L58-G62 PolarHBondContact O-N 3.25Å; A59-G62 WeakPolarHBondContact O-CA 3.28Å; A59-G62 PolarHBondContact O-N 3.38Å; S60-G62 PolarHBondContact O-N 2.83Å
63	K	87	Confident	90	Very high	139 Å²	139	73.6 Å²	73.6	60%	0.604	41%	0.405	S	S	*	.			trans	-97.4	136.1	172.6	-59	-65.9	-174.5	177.7	0	109.1	L58 A59 L61 P65	L58-K63 CarbonylContact C-O 3.46Å; L58-K63 VanDerWaalsContact C-O 3.25Å; L58-K63 HydrophobicContact CB-CB 4.34Å; L58-K63 WeakPolarHBondContact O-CB 3.34Å; L58-K63 PolarHBondContact O-N 3.01Å; L58-K63 VanDerWaalsContact O-O 3.05Å; A59-K63 VanDerWaalsContact CA-O 3.22Å; A59-K63 WeakPolarHBondContact CA-O 3.46Å; A59-K63 PolarHBondContact N-O 3.44Å; L61-K63 VanDerWaalsContact C-N 3.31Å; L61-K63 PolarHBondContact O-N 2.99Å; K63-P65 WeakPolarHBondContact O-CD 3.48Å
64	N	88.8	Confident	89.8	Confident	150 Å²	150	75.8 Å²	75.8	80%	0.802	42%	0.416	S	S	*	.			trans	-103.1	88.5	168.1	-88.1	13.6	0	0	0	108.8
65	P	89.3	Confident	89.7	Confident	21 Å²	21	81.1 Å²	81.1	14%	0.136	45%	0.445	C	S	.	.			trans	-66.6	148.9	176.7	31.2	-37.1	0	0	0	110.7	L58 K63 Y69 L70	L58-P65 HydrophobicContact CB-CG 3.83Å; L58-P65 HydrophobicContact CD1-CB 3.81Å; L58-P65 HydrophobicContact CD1-CG 3.81Å; L58-P65 HydrophobicContact CG-CG 4.48Å; K63-P65 WeakPolarHBondContact O-CD 3.48Å; P65-Y69 HydrophobicContact CB-CD1 3.85Å; P65-Y69 HydrophobicContact CB-CE1 4.49Å; P65-L70 HydrophobicContact CB-CD1 4.41Å; P65-L70 HydrophobicContact CB-CD2 3.87Å; P65-L70 HydrophobicContact CB-CG 3.96Å; P65-L70 HydrophobicContact CG-CD1 4.07Å; P65-L70 HydrophobicContact CG-CD2 3.85Å; P65-L70 HydrophobicContact CG-CG 4.09Å
66	T	91.9	Very high	89.4	Confident	88 Å²	88	83.4 Å²	83.4	54%	0.54	46%	0.456	S	S	.	.			trans	-81.4	153.4	170.5	59.1	0	0	0	0	110.3	E68 Y69 L70	T66-E68 PolarHBondContact O-N 3.07Å; T66-Y69 WeakPolarHBondContact O-CB 3.46Å; T66-Y69 PolarHBondContact O-N 3.25Å; T66-Y69 WeakPolarHBondContact OG1-CB 3.38Å; T66-Y69 PolarHBondContact OG1-N 3.06Å; T66-L70 PolarHBondContact O-N 3.35Å
67	D	91.1	Very high	89.1	Confident	96 Å²	96	79.9 Å²	79.9	51%	0.513	44%	0.438	S	S	.	.	H	α-helix	trans	-53.6	-40.7	174.1	-87.2	43.2	0	0	0	113	K51 Y69 L70 E71	K51-D67 IonicContact NZ-OD2 2.84Å; K51-D67 PolarHBondContact NZ-OD2 3.4Å; D67-Y69 VanDerWaalsContact C-N 3.33Å; D67-Y69 PolarHBondContact O-N 3.29Å; D67-L70 PolarHBondContact O-N 2.93Å; D67-E71 WeakPolarHBondContact O-CB 3.43Å; D67-E71 WeakPolarHBondContact O-CG 3.45Å; D67-E71 PolarHBondContact O-N 3.45Å
68	E	92.8	Very high	88.6	Confident	158 Å²	158	83.5 Å²	83.5	74%	0.738	47%	0.465	S	S	*	.	H	α-helix	trans	-63	-38.9	177.4	-66.7	-179.5	174	0	0	112.1	T66 A72	T66-E68 PolarHBondContact O-N 3.07Å; E68-A72 WeakPolarHBondContact O-CB 3.27Å; E68-A72 PolarHBondContact O-N 3.15Å
69	Y	89.9	Confident	88.5	Confident	126 Å²	126	83.5 Å²	83.5	49%	0.494	47%	0.472	S	S	.	.	H	α-helix	trans	-67.5	-44.1	177.4	177	-104.5	0	0	0	111.3	L58 P65 T66 D67 A72 M73	L58-Y69 HydrophobicContact CD1-CE1 4.12Å; P65-Y69 HydrophobicContact CB-CD1 3.85Å; P65-Y69 HydrophobicContact CB-CE1 4.49Å; T66-Y69 WeakPolarHBondContact O-CB 3.46Å; T66-Y69 PolarHBondContact O-N 3.25Å; T66-Y69 WeakPolarHBondContact OG1-CB 3.38Å; T66-Y69 PolarHBondContact OG1-N 3.06Å; D67-Y69 VanDerWaalsContact C-N 3.33Å; D67-Y69 PolarHBondContact O-N 3.29Å; Y69-A72 WeakPolarHBondContact O-CB 3.43Å; Y69-A72 PolarHBondContact O-N 3.07Å; Y69-M73 HydrophobicContact CD1-SD 3.96Å; Y69-M73 HydrophobicContact CE1-CG 4.25Å; Y69-M73 HydrophobicContact CE1-SD 3.35Å; Y69-M73 WeakPolarHBondContact CE1-SD 3.32Å; Y69-M73 WeakPolarHBondContact O-CG 3.44Å; Y69-M73 PolarHBondContact O-N 3.41Å
70	L	91.4	Very high	88.5	Confident	1 Å²	1	86.4 Å²	86.4	1%	0.005	49%	0.488	C	S	.	.	H	α-helix	trans	-64.2	-41.1	176.6	-64.4	173.8	0	0	0	111.9	K51 L54 H55 L58 P65 T66 D67 A72 M73 M74	K51-L70 HydrophobicContact CG-CB 3.94Å; K51-L70 HydrophobicContact CG-CD1 4.18Å; L54-L70 HydrophobicContact CB-CD2 3.84Å; H55-L70 HydrophobicContact CB-CD1 3.7Å; L58-L70 HydrophobicContact CD1-CD2 3.86Å; P65-L70 HydrophobicContact CB-CD1 4.41Å; P65-L70 HydrophobicContact CB-CD2 3.87Å; P65-L70 HydrophobicContact CB-CG 3.96Å; P65-L70 HydrophobicContact CG-CD1 4.07Å; P65-L70 HydrophobicContact CG-CD2 3.85Å; P65-L70 HydrophobicContact CG-CG 4.09Å; T66-L70 PolarHBondContact O-N 3.35Å; D67-L70 PolarHBondContact O-N 2.93Å; L70-A72 VanDerWaalsContact C-N 3.34Å; L70-A72 PolarHBondContact O-N 2.9Å; L70-M73 PolarHBondContact O-N 3.45Å; L70-M74 WeakPolarHBondContact O-CG 3.47Å; L70-M74 PolarHBondContact O-N 2.95Å
71	E	90.9	Very high	88.7	Confident	98 Å²	98	82.5 Å²	82.5	46%	0.458	46%	0.459	S	S	.	.	H	α-helix	trans	-63.6	-40.1	174.8	-80.1	177.5	-158.7	0	0	111.9	K51 D67 M73 M74 N75	K51-E71 HydrophobicContact CD-CG 4.34Å; K51-E71 IonicContact NZ-OE1 3Å; K51-E71 PolarHBondContact NZ-OE1 2.6Å; D67-E71 WeakPolarHBondContact O-CB 3.43Å; D67-E71 WeakPolarHBondContact O-CG 3.45Å; D67-E71 PolarHBondContact O-N 3.45Å; E71-M73 VanDerWaalsContact C-N 3.34Å; E71-M73 PolarHBondContact O-N 3.49Å; E71-M74 PolarHBondContact O-N 3.37Å; E71-N75 VanDerWaalsContact O-CB 3.29Å; E71-N75 WeakPolarHBondContact O-CB 2.99Å; E71-N75 PolarHBondContact O-N 2.66Å; E71-N75 PolarHBondContact O-ND2 2.91Å
72	A	90	Very high	89	Confident	56 Å²	56	79.8 Å²	79.8	46%	0.463	45%	0.446	S	S	.	.	H	α-helix	trans	-59.9	-44.5	173.7	0	0	0	0	0	111.5	E68 Y69 L70 N75 E76	E68-A72 WeakPolarHBondContact O-CB 3.27Å; E68-A72 PolarHBondContact O-N 3.15Å; Y69-A72 WeakPolarHBondContact O-CB 3.43Å; Y69-A72 PolarHBondContact O-N 3.07Å; L70-A72 VanDerWaalsContact C-N 3.34Å; L70-A72 PolarHBondContact O-N 2.9Å; A72-N75 PolarHBondContact O-N 3.16Å; A72-E76 PolarHBondContact O-N 2.82Å
73	M	87.9	Confident	89.2	Confident	58 Å²	58	78.8 Å²	78.8	29%	0.286	42%	0.422	S	S	.	.	H	α-helix	trans	-61.5	-44.9	175.7	-68.4	-179.3	73.7	0	0	112.2	L54 L58 Y69 L70 E71 N75 E76	L54-M73 HydrophobicContact CD1-CB 4.23Å; L54-M73 HydrophobicContact CD2-CE 4.45Å; L58-M73 HydrophobicContact CD1-SD 4.4Å; Y69-M73 HydrophobicContact CD1-SD 3.96Å; Y69-M73 HydrophobicContact CE1-CG 4.25Å; Y69-M73 HydrophobicContact CE1-SD 3.35Å; Y69-M73 WeakPolarHBondContact CE1-SD 3.32Å; Y69-M73 WeakPolarHBondContact O-CG 3.44Å; Y69-M73 PolarHBondContact O-N 3.41Å; L70-M73 PolarHBondContact O-N 3.45Å; E71-M73 VanDerWaalsContact C-N 3.34Å; E71-M73 PolarHBondContact O-N 3.49Å; M73-N75 VanDerWaalsContact C-N 3.28Å; M73-N75 PolarHBondContact O-N 3.4Å; M73-E76 WeakPolarHBondContact O-CB 3.41Å; M73-E76 PolarHBondContact O-N 3.03Å
74	M	89.9	Confident	89.3	Confident	49 Å²	49	74.7 Å²	74.7	24%	0.241	41%	0.409	C	S	.	.	H	α-helix	trans	-64.4	-34.1	178	-70.4	-57	-64.5	0	0	112.3	I49 K51 L54 L70 E71 E76 A77 I81	I49-M74 WeakPolarHBondContact O-CE 3.41Å; K51-M74 HydrophobicContact CB-CG 4.48Å; L54-M74 HydrophobicContact CD1-CG 4.1Å; L54-M74 HydrophobicContact CD1-SD 3.5Å; L54-M74 VanDerWaalsContact CD1-SD 3.5Å; L54-M74 HydrophobicContact CG-SD 4.46Å; L70-M74 WeakPolarHBondContact O-CG 3.47Å; L70-M74 PolarHBondContact O-N 2.95Å; E71-M74 PolarHBondContact O-N 3.37Å; M74-E76 VanDerWaalsContact C-N 3.29Å; M74-E76 PolarHBondContact O-N 3.49Å; M74-A77 PolarHBondContact O-N 3.03Å; M74-I81 HydrophobicContact CE-CD1 3.89Å; M74-I81 HydrophobicContact CE-CG1 4.47Å; M74-I81 HydrophobicContact SD-CD1 3.84Å
75	N	89.6	Confident	89.3	Confident	129 Å²	129	69.9 Å²	69.9	69%	0.69	38%	0.383	S	S	*	.	H	α-helix	trans	-75.6	-12.3	179.4	-72.9	-33.5	0	0	0	113.8	E71 A72 M73 A77	E71-N75 VanDerWaalsContact O-CB 3.29Å; E71-N75 WeakPolarHBondContact O-CB 2.99Å; E71-N75 PolarHBondContact O-N 2.66Å; E71-N75 PolarHBondContact O-ND2 2.91Å; A72-N75 PolarHBondContact O-N 3.16Å; M73-N75 VanDerWaalsContact C-N 3.28Å; M73-N75 PolarHBondContact O-N 3.4Å; N75-A77 PolarHBondContact O-N 3.29Å
76	E	85	Confident	89.3	Confident	118 Å²	118	69.6 Å²	69.6	55%	0.551	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-28.2	169.2	-68.1	-166.9	-167.1	0	0	111.5	A72 M73 M74 K93	A72-E76 PolarHBondContact O-N 2.82Å; M73-E76 WeakPolarHBondContact O-CB 3.41Å; M73-E76 PolarHBondContact O-N 3.03Å; M74-E76 VanDerWaalsContact C-N 3.29Å; M74-E76 PolarHBondContact O-N 3.49Å; E76-K93 IonicContact OE2-NZ 3.81Å; E76-K93 PolarHBondContact OE2-NZ 3.46Å
77	A	84.6	Confident	89	Confident	12 Å²	12	65.4 Å²	65.4	10%	0.099	35%	0.353	C	S	.	.	S	Bend	trans	-82.2	132.6	178.2	0	0	0	0	0	111.2	M74 N75 G79 I81 M89	M74-A77 PolarHBondContact O-N 3.03Å; N75-A77 PolarHBondContact O-N 3.29Å; A77-G79 WeakPolarHBondContact CB-O 3.49Å; A77-G79 PolarHBondContact O-N 2.77Å; A77-I81 HydrophobicContact CB-CD1 3.76Å; A77-I81 HydrophobicContact CB-CG1 3.45Å; A77-I81 VanDerWaalsContact CB-CG1 3.45Å; A77-M89 VanDerWaalsContact CA-SD 3.57Å; A77-M89 HydrophobicContact CB-CE 4.04Å; A77-M89 HydrophobicContact CB-SD 3.6Å; A77-M89 VanDerWaalsContact CB-SD 3.6Å
78	P	80.8	Confident	88.7	Confident	116 Å²	116	62 Å²	62	75%	0.753	34%	0.336	S	S	*	.	S	Bend	trans	-71.4	0.7	177.1	30.1	-35.6	0	0	0	113.5	M85	P78-M85 HydrophobicContact CG-CE 4.14Å; P78-M85 HydrophobicContact CG-SD 3.95Å
79	G	86.8	Confident	88.3	Confident	30 Å²	30	56.2 Å²	56.2	31%	0.309	31%	0.309	S	S	.	.	S	Bend	trans	178.1	-167.1	-178.1	0	0	0	0	0	111.8	A77 I81	A77-G79 WeakPolarHBondContact CB-O 3.49Å; A77-G79 PolarHBondContact O-N 2.77Å; G79-I81 PolarHBondContact O-N 3.43Å
80	P	88.9	Confident	87.8	Confident	97 Å²	97	54.2 Å²	54.2	63%	0.63	30%	0.304	S	S	*	.			trans	-55.9	132	-178.2	-25.3	34.3	0	0	0	112.9	F48 N82	F48-P80 HydrophobicContact CD1-CB 3.94Å; F48-P80 HydrophobicContact CE1-CB 4.1Å; P80-N82 PolarHBondContact O-N 3.04Å; P80-N82 VanDerWaalsContact O-N 3.08Å
81	I	92.7	Very high	87.1	Confident	10 Å²	10	54.2 Å²	54.2	5%	0.051	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	78.3	-175	-51.6	173.8	0	0	0	109.4	F48 I49 M74 A77 G79 F86 M89	F48-I81 CarbonylContact C-O 3.56Å; F48-I81 WeakPolarHBondContact CA-O 3.43Å; I49-I81 HydrophobicContact CB-CB 4.13Å; I49-I81 HydrophobicContact CB-CG2 4.12Å; I49-I81 HydrophobicContact CD1-CG2 4.15Å; I49-I81 PolarHBondContact N-O 3.44Å; M74-I81 HydrophobicContact CE-CD1 3.89Å; M74-I81 HydrophobicContact CE-CG1 4.47Å; M74-I81 HydrophobicContact SD-CD1 3.84Å; A77-I81 HydrophobicContact CB-CD1 3.76Å; A77-I81 HydrophobicContact CB-CG1 3.45Å; A77-I81 VanDerWaalsContact CB-CG1 3.45Å; G79-I81 PolarHBondContact O-N 3.43Å; I81-F86 HydrophobicContact CG2-CB 4.26Å; I81-F86 HydrophobicContact CG2-CD2 4.39Å; I81-M89 HydrophobicContact CD1-CE 4.1Å; I81-M89 HydrophobicContact CG1-CE 4.25Å; I81-M89 HydrophobicContact CG2-CE 4.05Å
82	N	92.4	Very high	86.3	Confident	57 Å²	57	56.1 Å²	56.1	31%	0.305	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	170.9	164.2	64.2	33.6	0	0	0	110.9	G47 F48 P80 T84 M85 F86	G47-N82 WeakPolarHBondContact O-CA 3.42Å; F48-N82 HydrophobicContact CD1-CB 3.82Å; F48-N82 HydrophobicContact CE1-CB 3.74Å; F48-N82 HydrophobicContact CZ-CB 4.43Å; P80-N82 PolarHBondContact O-N 3.04Å; P80-N82 VanDerWaalsContact O-N 3.08Å; N82-T84 PolarHBondContact O-N 3.47Å; N82-T84 VanDerWaalsContact O-N 3.07Å; N82-T84 WeakPolarHBondContact OD1-CB 3.28Å; N82-T84 PolarHBondContact OD1-N 3.26Å; N82-T84 VanDerWaalsContact OD1-N 3.13Å; N82-M85 WeakPolarHBondContact O-CB 3.45Å; N82-M85 PolarHBondContact O-N 3.34Å; N82-M85 PolarHBondContact OD1-N 3.35Å; N82-F86 PolarHBondContact O-N 2.61Å
83	F	90.8	Very high	85.3	Confident	45 Å²	45	60.5 Å²	60.5	20%	0.197	32%	0.321	C	S	.	.	H	α-helix	trans	-54.6	-33.5	-178.8	-175	-119.3	0	0	0	114.3	F23 F34 K35 F38 F86 L87	F23-F83 HydrophobicContact CE1-CE1 4.19Å; F23-F83 HydrophobicContact CZ-CE1 4.47Å; F34-F83 HydrophobicContact CB-CE2 4.22Å; F34-F83 HydrophobicContact CB-CZ 4.45Å; K35-F83 VanDerWaalsContact CA-CE2 3.47Å; K35-F83 HydrophobicContact CB-CE2 3.99Å; K35-F83 HydrophobicContact CB-CZ 3.71Å; K35-F83 HydrophobicContact CG-CZ 4.26Å; F38-F83 HydrophobicContact CB-CD2 3.71Å; F38-F83 HydrophobicContact CB-CE2 4.04Å; F38-F83 HydrophobicContact CD1-CB 4.4Å; F38-F83 HydrophobicContact CD1-CD2 4.22Å; F38-F83 HydrophobicContact CD2-CB 4.33Å; F38-F83 AromaticContact CD2-CD2 3.88Å; F38-F83 HydrophobicContact CD2-CD2 3.88Å; F38-F83 HydrophobicContact CE1-CB 4.36Å; F38-F83 HydrophobicContact CE2-CB 4.27Å; F38-F83 HydrophobicContact CG-CB 4.41Å; F38-F83 AromaticContact CG-CD2 3.66Å; F38-F83 HydrophobicContact CG-CD2 3.66Å; F38-F83 HydrophobicContact CG-CE2 4.47Å; F38-F83 HydrophobicContact CG-CG 4.48Å; F38-F83 HydrophobicContact CZ-CB 4.29Å; F83-F86 HydrophobicContact CD2-CD1 4.46Å; F83-F86 HydrophobicContact CE2-CD1 4.49Å; F83-L87 HydrophobicContact CD1-CD1 4.21Å; F83-L87 HydrophobicContact CE1-CD1 3.66Å; F83-L87 HydrophobicContact CE1-CG 4.31Å; F83-L87 HydrophobicContact CE2-CD1 4.43Å; F83-L87 HydrophobicContact CE2-CG 4.21Å; F83-L87 HydrophobicContact CZ-CD1 3.78Å; F83-L87 HydrophobicContact CZ-CD2 4.29Å; F83-L87 HydrophobicContact CZ-CG 4.02Å; F83-L87 WeakPolarHBondContact O-CG 3.11Å; F83-L87 PolarHBondContact O-N 3.36Å
84	T	89.8	Confident	84.1	Confident	54 Å²	54	60.7 Å²	60.7	33%	0.331	32%	0.323	S	S	.	.	H	α-helix	trans	-69.7	-42.9	177.1	-54.8	0	0	0	0	111.2	V22 F23 N82 L87 T88	V22-T84 HydrophobicContact CG1-CG2 4.44Å; F23-T84 HydrophobicContact CE2-CG2 4.18Å; N82-T84 PolarHBondContact O-N 3.47Å; N82-T84 VanDerWaalsContact O-N 3.07Å; N82-T84 WeakPolarHBondContact OD1-CB 3.28Å; N82-T84 PolarHBondContact OD1-N 3.26Å; N82-T84 VanDerWaalsContact OD1-N 3.13Å; T84-L87 PolarHBondContact O-N 3Å; T84-T88 PolarHBondContact O-N 3.02Å; T84-T88 PolarHBondContact O-OG1 3.01Å; T84-T88 VanDerWaalsContact O-OG1 3.07Å
85	M	88.7	Confident	82.7	Confident	49 Å²	49	63 Å²	63	24%	0.241	34%	0.336	C	S	.	.	H	α-helix	trans	-65.8	-40.3	176.3	-173.9	58.4	70.5	0	0	111.3	P78 N82 L87 T88 M89	P78-M85 HydrophobicContact CG-CE 4.14Å; P78-M85 HydrophobicContact CG-SD 3.95Å; N82-M85 WeakPolarHBondContact O-CB 3.45Å; N82-M85 PolarHBondContact O-N 3.34Å; N82-M85 PolarHBondContact OD1-N 3.35Å; M85-L87 PolarHBondContact O-N 3.35Å; M85-T88 CarbonylContact O-C 3.25Å; M85-T88 WeakPolarHBondContact O-CA 3.15Å; M85-T88 WeakPolarHBondContact O-CB 3.39Å; M85-T88 PolarHBondContact O-N 2.92Å; M85-M89 HydrophobicContact CG-CG 4.5Å; M85-M89 WeakPolarHBondContact O-CG 3.46Å; M85-M89 PolarHBondContact O-N 3.37Å
86	F	88.4	Confident	81.3	Confident	14 Å²	14	60.3 Å²	60.3	6%	0.061	34%	0.34	C	S	.	.	H	α-helix	trans	-55.2	-51.2	173.2	-175.4	-98.4	0	0	0	110.9	F34 F38 I41 I49 I81 N82 F83 T88 M89 F90	F34-F86 HydrophobicContact CB-CE1 4.26Å; F34-F86 HydrophobicContact CD1-CE1 4.06Å; F38-F86 HydrophobicContact CB-CD1 4.43Å; F38-F86 HydrophobicContact CB-CE1 4.39Å; F38-F86 HydrophobicContact CD2-CB 3.86Å; F38-F86 HydrophobicContact CD2-CD1 4.09Å; F38-F86 HydrophobicContact CD2-CD2 4.05Å; F38-F86 AromaticContact CD2-CG 3.76Å; F38-F86 HydrophobicContact CD2-CG 3.76Å; F38-F86 HydrophobicContact CE2-CB 4.11Å; F38-F86 HydrophobicContact CE2-CG 4.42Å; I41-F86 HydrophobicContact CD1-CE2 4Å; I41-F86 HydrophobicContact CD1-CZ 4.25Å; I49-F86 HydrophobicContact CD1-CD2 3.87Å; I49-F86 HydrophobicContact CD1-CE2 4.09Å; I81-F86 HydrophobicContact CG2-CB 4.26Å; I81-F86 HydrophobicContact CG2-CD2 4.39Å; N82-F86 PolarHBondContact O-N 2.61Å; F83-F86 HydrophobicContact CD2-CD1 4.46Å; F83-F86 HydrophobicContact CE2-CD1 4.49Å; F86-T88 VanDerWaalsContact C-N 3.29Å; F86-T88 PolarHBondContact O-N 3.07Å; F86-M89 PolarHBondContact O-N 2.9Å; F86-F90 HydrophobicContact CD1-CD2 4.07Å; F86-F90 HydrophobicContact CD1-CE2 4.3Å; F86-F90 HydrophobicContact CD2-CD2 4.3Å; F86-F90 HydrophobicContact CD2-CE2 4Å; F86-F90 AromaticContact CE1-CD2 3.86Å; F86-F90 HydrophobicContact CE1-CD2 3.86Å; F86-F90 AromaticContact CE1-CE2 3.76Å; F86-F90 HydrophobicContact CE1-CE2 3.76Å; F86-F90 HydrophobicContact CE2-CD2 4.12Å; F86-F90 AromaticContact CE2-CE2 3.44Å; F86-F90 HydrophobicContact CE2-CE2 3.44Å; F86-F90 VanDerWaalsContact CE2-CE2 3.44Å; F86-F90 HydrophobicContact CE2-CZ 4.39Å; F86-F90 HydrophobicContact CG-CD2 4.29Å; F86-F90 HydrophobicContact CG-CE2 4.41Å; F86-F90 AromaticContact CZ-CD2 3.89Å; F86-F90 HydrophobicContact CZ-CD2 3.89Å; F86-F90 AromaticContact CZ-CE2 3.3Å; F86-F90 HydrophobicContact CZ-CE2 3.3Å; F86-F90 HydrophobicContact CZ-CZ 4.07Å; F86-F90 WeakPolarHBondContact O-CD2 3.49Å; F86-F90 PolarHBondContact O-N 3.07Å
87	L	87	Confident	80.5	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-60.5	-36	173.5	-74.7	175.6	0	0	0	112.8	V22 F23 F26 F34 F83 T84 M85 G91	V22-L87 HydrophobicContact CG1-CB 4.41Å; V22-L87 HydrophobicContact CG2-CB 4.09Å; V22-L87 VanDerWaalsContact CG2-O 3.31Å; V22-L87 WeakPolarHBondContact CG2-O 3.22Å; F23-L87 HydrophobicContact CD1-CD1 3.78Å; F23-L87 HydrophobicContact CE1-CD1 3.25Å; F23-L87 HydrophobicContact CE2-CD1 4.25Å; F23-L87 HydrophobicContact CG-CD1 4.47Å; F23-L87 HydrophobicContact CZ-CD1 3.53Å; F26-L87 HydrophobicContact CD2-CD2 4.21Å; F26-L87 HydrophobicContact CE2-CD2 4.2Å; F34-L87 HydrophobicContact CB-CD2 3.65Å; F34-L87 HydrophobicContact CD2-CD2 3.48Å; F34-L87 VanDerWaalsContact CD2-CD2 3.48Å; F34-L87 HydrophobicContact CE2-CD2 4.33Å; F34-L87 HydrophobicContact CG-CD2 3.71Å; F83-L87 HydrophobicContact CD1-CD1 4.21Å; F83-L87 HydrophobicContact CE1-CD1 3.66Å; F83-L87 HydrophobicContact CE1-CG 4.31Å; F83-L87 HydrophobicContact CE2-CD1 4.43Å; F83-L87 HydrophobicContact CE2-CG 4.21Å; F83-L87 HydrophobicContact CZ-CD1 3.78Å; F83-L87 HydrophobicContact CZ-CD2 4.29Å; F83-L87 HydrophobicContact CZ-CG 4.02Å; F83-L87 WeakPolarHBondContact O-CG 3.11Å; F83-L87 PolarHBondContact O-N 3.36Å; T84-L87 PolarHBondContact O-N 3Å; M85-L87 PolarHBondContact O-N 3.35Å; L87-G91 VanDerWaalsContact O-CA 3.26Å; L87-G91 WeakPolarHBondContact O-CA 3.3Å; L87-G91 PolarHBondContact O-N 3.18Å
88	T	84.7	Confident	80.3	Confident	25 Å²	25	61.6 Å²	61.6	15%	0.153	35%	0.351	C	S	.	.	H	α-helix	trans	-67	-42.2	176.5	-60	0	0	0	0	111.7	T84 M85 F86 G91 E92	T84-T88 PolarHBondContact O-N 3.02Å; T84-T88 PolarHBondContact O-OG1 3.01Å; T84-T88 VanDerWaalsContact O-OG1 3.07Å; M85-T88 CarbonylContact O-C 3.25Å; M85-T88 WeakPolarHBondContact O-CA 3.15Å; M85-T88 WeakPolarHBondContact O-CB 3.39Å; M85-T88 PolarHBondContact O-N 2.92Å; F86-T88 VanDerWaalsContact C-N 3.29Å; F86-T88 PolarHBondContact O-N 3.07Å; T88-G91 CarbonylContact O-C 3.59Å; T88-G91 WeakPolarHBondContact O-CA 3.25Å; T88-G91 PolarHBondContact O-N 2.88Å; T88-E92 HydrophobicContact CG2-CG 4.26Å; T88-E92 WeakPolarHBondContact O-CB 3.22Å; T88-E92 WeakPolarHBondContact O-CG 3.43Å; T88-E92 PolarHBondContact O-N 3.01Å
89	M	83.4	Confident	80.3	Confident	36 Å²	36	59.8 Å²	59.8	18%	0.177	34%	0.339	C	S	.	.	H	α-helix	trans	-65	-43.5	178	-67.2	-156.7	-62.7	0	0	111.8	A77 I81 M85 F86 G91 K93	A77-M89 VanDerWaalsContact CA-SD 3.57Å; A77-M89 HydrophobicContact CB-CE 4.04Å; A77-M89 HydrophobicContact CB-SD 3.6Å; A77-M89 VanDerWaalsContact CB-SD 3.6Å; I81-M89 HydrophobicContact CD1-CE 4.1Å; I81-M89 HydrophobicContact CG1-CE 4.25Å; I81-M89 HydrophobicContact CG2-CE 4.05Å; M85-M89 HydrophobicContact CG-CG 4.5Å; M85-M89 WeakPolarHBondContact O-CG 3.46Å; M85-M89 PolarHBondContact O-N 3.37Å; F86-M89 PolarHBondContact O-N 2.9Å; M89-G91 VanDerWaalsContact C-N 3.35Å; M89-K93 WeakPolarHBondContact O-CG 3.26Å; M89-K93 PolarHBondContact O-N 3.12Å; M89-K93 VanDerWaalsContact O-N 3.14Å
90	F	79.8	Confident	80.2	Confident	85 Å²	85	60.7 Å²	60.7	37%	0.373	34%	0.335	S	S	.	.	H	α-helix	trans	-67.2	-39	172	-83.8	-84.6	0	0	0	111.6	F26 F34 F86 K93 L94	F26-F90 HydrophobicContact CZ-CB 4.45Å; F34-F90 HydrophobicContact CD1-CD1 4.47Å; F34-F90 HydrophobicContact CD1-CG 4.26Å; F34-F90 HydrophobicContact CE1-CB 3.94Å; F34-F90 AromaticContact CE1-CD1 3.61Å; F34-F90 HydrophobicContact CE1-CD1 3.61Å; F34-F90 HydrophobicContact CE1-CD2 4.34Å; F34-F90 HydrophobicContact CE1-CE1 4.2Å; F34-F90 AromaticContact CE1-CG 3.68Å; F34-F90 HydrophobicContact CE1-CG 3.68Å; F34-F90 HydrophobicContact CZ-CB 4.09Å; F34-F90 HydrophobicContact CZ-CD1 4.25Å; F34-F90 HydrophobicContact CZ-CG 4.3Å; F86-F90 HydrophobicContact CD1-CD2 4.07Å; F86-F90 HydrophobicContact CD1-CE2 4.3Å; F86-F90 HydrophobicContact CD2-CD2 4.3Å; F86-F90 HydrophobicContact CD2-CE2 4Å; F86-F90 AromaticContact CE1-CD2 3.86Å; F86-F90 HydrophobicContact CE1-CD2 3.86Å; F86-F90 AromaticContact CE1-CE2 3.76Å; F86-F90 HydrophobicContact CE1-CE2 3.76Å; F86-F90 HydrophobicContact CE2-CD2 4.12Å; F86-F90 AromaticContact CE2-CE2 3.44Å; F86-F90 HydrophobicContact CE2-CE2 3.44Å; F86-F90 VanDerWaalsContact CE2-CE2 3.44Å; F86-F90 HydrophobicContact CE2-CZ 4.39Å; F86-F90 HydrophobicContact CG-CD2 4.29Å; F86-F90 HydrophobicContact CG-CE2 4.41Å; F86-F90 AromaticContact CZ-CD2 3.89Å; F86-F90 HydrophobicContact CZ-CD2 3.89Å; F86-F90 AromaticContact CZ-CE2 3.3Å; F86-F90 HydrophobicContact CZ-CE2 3.3Å; F86-F90 HydrophobicContact CZ-CZ 4.07Å; F86-F90 WeakPolarHBondContact O-CD2 3.49Å; F86-F90 PolarHBondContact O-N 3.07Å; F90-K93 PolarHBondContact O-N 2.94Å; F90-L94 WeakPolarHBondContact O-CB 3.44Å; F90-L94 WeakPolarHBondContact O-CD1 3.32Å; F90-L94 WeakPolarHBondContact O-CG 3.44Å; F90-L94 PolarHBondContact O-N 3.21Å
91	G	77.5	Confident	80.1	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-54.5	-59.3	175.8	0	0	0	0	0	110.4	F26 L87 T88 M89 K93 L94 N95	F26-G91 VanDerWaalsContact CZ-CA 3.41Å; L87-G91 VanDerWaalsContact O-CA 3.26Å; L87-G91 WeakPolarHBondContact O-CA 3.3Å; L87-G91 PolarHBondContact O-N 3.18Å; T88-G91 CarbonylContact O-C 3.59Å; T88-G91 WeakPolarHBondContact O-CA 3.25Å; T88-G91 PolarHBondContact O-N 2.88Å; M89-G91 VanDerWaalsContact C-N 3.35Å; G91-K93 PolarHBondContact O-N 3.25Å; G91-L94 CarbonylContact O-C 3.58Å; G91-L94 PolarHBondContact O-N 2.91Å; G91-N95 WeakPolarHBondContact O-CA 3.24Å; G91-N95 WeakPolarHBondContact O-CB 3.39Å; G91-N95 PolarHBondContact O-N 3.32Å
92	E	74.1	Confident	79.9	Confident	137 Å²	137	63.1 Å²	63.1	64%	0.64	35%	0.345	S	S	*	.	H	α-helix	trans	-60.8	-40.8	180	-71.5	179.1	173	0	0	113.1	T88 L94 N95	T88-E92 HydrophobicContact CG2-CG 4.26Å; T88-E92 WeakPolarHBondContact O-CB 3.22Å; T88-E92 WeakPolarHBondContact O-CG 3.43Å; T88-E92 PolarHBondContact O-N 3.01Å; E92-L94 VanDerWaalsContact C-N 3.29Å; E92-L94 PolarHBondContact O-N 2.77Å; E92-N95 PolarHBondContact O-N 3.36Å
93	K	68.4	Low	79.8	Confident	149 Å²	149	61.6 Å²	61.6	65%	0.648	34%	0.337	S	S	*	.	H	α-helix	trans	-66.3	-30.8	173.9	-74.4	-174.1	-178.5	-175.7	0	112.5	E76 M89 F90 G91	E76-K93 IonicContact OE2-NZ 3.81Å; E76-K93 PolarHBondContact OE2-NZ 3.46Å; M89-K93 WeakPolarHBondContact O-CG 3.26Å; M89-K93 PolarHBondContact O-N 3.12Å; M89-K93 VanDerWaalsContact O-N 3.14Å; F90-K93 PolarHBondContact O-N 2.94Å; G91-K93 PolarHBondContact O-N 3.25Å
94	L	62.8	Low	79.8	Confident	61 Å²	61	63 Å²	63	32%	0.319	34%	0.341	S	S	.	.	H	α-helix	trans	-91.3	-18	177.9	-66	169.3	0	0	0	113.3	F26 F34 F90 G91 E92 G96 T97	F26-L94 HydrophobicContact CE1-CD1 3.67Å; F26-L94 HydrophobicContact CZ-CD1 4.15Å; F34-L94 HydrophobicContact CZ-CD1 4Å; F90-L94 WeakPolarHBondContact O-CB 3.44Å; F90-L94 WeakPolarHBondContact O-CD1 3.32Å; F90-L94 WeakPolarHBondContact O-CG 3.44Å; F90-L94 PolarHBondContact O-N 3.21Å; G91-L94 CarbonylContact O-C 3.58Å; G91-L94 PolarHBondContact O-N 2.91Å; E92-L94 VanDerWaalsContact C-N 3.29Å; E92-L94 PolarHBondContact O-N 2.77Å; L94-G96 PolarHBondContact O-N 3.05Å; L94-T97 PolarHBondContact O-N 2.84Å; L94-T97 PolarHBondContact O-OG1 3.06Å
95	N	60.9	Low	79.9	Confident	97 Å²	97	64.9 Å²	64.9	52%	0.519	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	2.8	-169.8	-133.2	11.9	0	0	0	114.6	M25 G91 E92	M25-N95 WeakPolarHBondContact CE-ND2 3.42Å; M25-N95 PolarHBondContact SD-ND2 3Å; M25-N95 PolarHBondContact SD-OD1 2.91Å; M25-N95 VanDerWaalsContact SD-OD1 3.42Å; G91-N95 WeakPolarHBondContact O-CA 3.24Å; G91-N95 WeakPolarHBondContact O-CB 3.39Å; G91-N95 PolarHBondContact O-N 3.32Å; E92-N95 PolarHBondContact O-N 3.36Å
96	G	60.6	Low	80	Confident	74 Å²	74	65.2 Å²	65.2	76%	0.763	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-5.1	176.3	0	0	0	0	0	114.2	L94	L94-G96 PolarHBondContact O-N 3.05Å
97	T	67.3	Low	80.2	Confident	52 Å²	52	66.3 Å²	66.3	32%	0.319	36%	0.364	S	S	.	.	S	Bend	trans	-126	127	-170.9	58.4	0	0	0	0	111.9	L94 K164	L94-T97 PolarHBondContact O-N 2.84Å; L94-T97 PolarHBondContact O-OG1 3.06Å; T97-K164 PolarHBondContact O-NZ 2.97Å; T97-K164 VanDerWaalsContact O-NZ 3.13Å; T97-K164 PolarHBondContact OG1-NZ 3.04Å
98	D	81.1	Confident	80.5	Confident	105 Å²	105	68.1 Å²	68.1	56%	0.561	38%	0.379	S	S	*	.			trans	-58.9	164.4	173.3	-73.6	-55.7	0	0	0	112.1	V102 I103 K164	D98-V102 HydrophobicContact CB-CB 3.99Å; D98-V102 HydrophobicContact CB-CG1 3.8Å; D98-I103 HydrophobicContact CB-CD1 4.38Å; D98-I103 HydrophobicContact CB-CG1 3.78Å; D98-I103 VanDerWaalsContact O-CD1 3.28Å; D98-I103 WeakPolarHBondContact O-CD1 3.36Å; D98-K164 PolarHBondContact O-NZ 3.13Å
99	P	80.8	Confident	80.8	Confident	78 Å²	78	71.7 Å²	71.7	51%	0.506	40%	0.404	S	S	.	.			trans	-54.4	148.3	170.9	-25.1	34.1	0	0	0	111.9	D101 V102 I103	P99-D101 PolarHBondContact O-N 3.24Å; P99-D101 VanDerWaalsContact O-N 3.15Å; P99-V102 HydrophobicContact CB-CB 4.49Å; P99-V102 HydrophobicContact CB-CG2 4.09Å; P99-V102 HydrophobicContact CG-CG2 4.09Å; P99-V102 WeakPolarHBondContact O-CA 3.44Å; P99-V102 WeakPolarHBondContact O-CB 3.27Å; P99-V102 PolarHBondContact O-N 3.13Å; P99-I103 PolarHBondContact O-N 3.24Å
100	E	85.1	Confident	81.1	Confident	49 Å²	49	74 Å²	74	23%	0.229	41%	0.413	C	S	.	.	H	α-helix	trans	-51.6	-43.7	-177.4	-170.2	-179.1	150.5	0	0	112.3	V102 I103 R104 K164 H165	E100-V102 VanDerWaalsContact C-N 3.31Å; E100-V102 PolarHBondContact O-N 3.3Å; E100-I103 PolarHBondContact O-N 3.33Å; E100-R104 VanDerWaalsContact O-CB 3.28Å; E100-R104 WeakPolarHBondContact O-CB 3.37Å; E100-R104 PolarHBondContact O-N 3.15Å; E100-K164 HydrophobicContact CB-CG 4.05Å; E100-K164 HydrophobicContact CG-CG 4.42Å; E100-H165 IonicContact OE2-CD2 2.91Å; E100-H165 IonicContact OE2-NE2 2.91Å; E100-H165 PolarHBondContact OE2-NE2 3.23Å
101	D	86.5	Confident	81.7	Confident	88 Å²	88	70.7 Å²	70.7	47%	0.471	40%	0.399	S	S	.	.	H	α-helix	trans	-64.5	-34.5	178.9	-64.7	-41.9	0	0	0	112.7	P99 R104 N105	P99-D101 PolarHBondContact O-N 3.24Å; P99-D101 VanDerWaalsContact O-N 3.15Å; D101-R104 IonicContact OD1-CZ 3.15Å; D101-R104 IonicContact OD1-NH1 3.88Å; D101-R104 PolarHBondContact OD1-NH1 2.64Å; D101-R104 IonicContact OD1-NH2 2.7Å; D101-R104 PolarHBondContact OD1-NH2 3.35Å; D101-N105 VanDerWaalsContact O-CB 3.24Å; D101-N105 WeakPolarHBondContact O-CB 3.12Å; D101-N105 PolarHBondContact O-N 3.49Å; D101-N105 PolarHBondContact O-ND2 2.94Å; D101-N105 VanDerWaalsContact O-ND2 3.13Å; D101-N105 PolarHBondContact O-OD1 3Å
102	V	88.4	Confident	82.2	Confident	70 Å²	70	80.1 Å²	80.1	42%	0.424	44%	0.443	S	S	.	.	H	α-helix	trans	-70	-46.3	178	175.3	0	0	0	0	110	D98 P99 E100 R104 N105 A106	D98-V102 HydrophobicContact CB-CB 3.99Å; D98-V102 HydrophobicContact CB-CG1 3.8Å; P99-V102 HydrophobicContact CB-CB 4.49Å; P99-V102 HydrophobicContact CB-CG2 4.09Å; P99-V102 HydrophobicContact CG-CG2 4.09Å; P99-V102 WeakPolarHBondContact O-CA 3.44Å; P99-V102 WeakPolarHBondContact O-CB 3.27Å; P99-V102 PolarHBondContact O-N 3.13Å; E100-V102 VanDerWaalsContact C-N 3.31Å; E100-V102 PolarHBondContact O-N 3.3Å; V102-R104 VanDerWaalsContact C-N 3.34Å; V102-R104 PolarHBondContact O-N 3.46Å; V102-N105 PolarHBondContact O-N 3.31Å; V102-A106 PolarHBondContact O-N 3.45Å
103	I	89.4	Confident	83	Confident	24 Å²	24	81.8 Å²	81.8	12%	0.123	45%	0.451	C	S	.	.	H	α-helix	trans	-62.8	-43.9	176.6	-55.1	175.9	0	0	0	110	D98 P99 E100 N105 A106 F107 T160 L163 K164	D98-I103 HydrophobicContact CB-CD1 4.38Å; D98-I103 HydrophobicContact CB-CG1 3.78Å; D98-I103 VanDerWaalsContact O-CD1 3.28Å; D98-I103 WeakPolarHBondContact O-CD1 3.36Å; P99-I103 PolarHBondContact O-N 3.24Å; E100-I103 PolarHBondContact O-N 3.33Å; I103-N105 VanDerWaalsContact C-N 3.34Å; I103-N105 PolarHBondContact O-N 3.29Å; I103-A106 WeakPolarHBondContact O-CB 3.26Å; I103-A106 PolarHBondContact O-N 3.2Å; I103-F107 HydrophobicContact CG2-CD2 4.13Å; I103-F107 HydrophobicContact CG2-CE2 3.87Å; I103-F107 WeakPolarHBondContact O-CD2 3.49Å; I103-F107 PolarHBondContact O-N 2.89Å; I103-F107 VanDerWaalsContact O-N 3.16Å; I103-T160 HydrophobicContact CB-CG2 3.91Å; I103-T160 HydrophobicContact CG2-CG2 3.5Å; I103-L163 HydrophobicContact CD1-CD2 4.1Å; I103-K164 HydrophobicContact CD1-CD 4.15Å
104	R	91.3	Very high	84.1	Confident	75 Å²	75	77.4 Å²	77.4	28%	0.283	45%	0.448	S	S	.	.	H	α-helix	trans	-62.2	-42.3	178.3	-172.6	-179.1	69.1	-130.7	-7.5	111.5	E100 D101 V102 A106 F107 A108 Y156 V157 T160	E100-R104 VanDerWaalsContact O-CB 3.28Å; E100-R104 WeakPolarHBondContact O-CB 3.37Å; E100-R104 PolarHBondContact O-N 3.15Å; D101-R104 IonicContact OD1-CZ 3.15Å; D101-R104 IonicContact OD1-NH1 3.88Å; D101-R104 PolarHBondContact OD1-NH1 2.64Å; D101-R104 IonicContact OD1-NH2 2.7Å; D101-R104 PolarHBondContact OD1-NH2 3.35Å; V102-R104 VanDerWaalsContact C-N 3.34Å; V102-R104 PolarHBondContact O-N 3.46Å; R104-A106 VanDerWaalsContact C-N 3.3Å; R104-A106 PolarHBondContact O-N 3.21Å; R104-F107 PolarHBondContact O-N 3.49Å; R104-A108 WeakPolarHBondContact O-CB 3.2Å; R104-A108 PolarHBondContact O-N 2.99Å; R104-Y156 HydrophobicContact CG-CD2 4.06Å; R104-Y156 HydrophobicContact CG-CE2 3.79Å; R104-V157 HydrophobicContact CG-CG2 4.44Å; R104-T160 HydrophobicContact CB-CG2 4.27Å
105	N	90.7	Very high	85.5	Confident	94 Å²	94	78.2 Å²	78.2	50%	0.503	46%	0.455	S	S	.	.	H	α-helix	trans	-66.8	-32.7	177.2	-69.6	-14.5	0	0	0	111.9	D101 V102 I103 A108 C109	D101-N105 VanDerWaalsContact O-CB 3.24Å; D101-N105 WeakPolarHBondContact O-CB 3.12Å; D101-N105 PolarHBondContact O-N 3.49Å; D101-N105 PolarHBondContact O-ND2 2.94Å; D101-N105 VanDerWaalsContact O-ND2 3.13Å; D101-N105 PolarHBondContact O-OD1 3Å; V102-N105 PolarHBondContact O-N 3.31Å; I103-N105 VanDerWaalsContact C-N 3.34Å; I103-N105 PolarHBondContact O-N 3.29Å; N105-A108 PolarHBondContact O-N 3.08Å; N105-C109 PolarHBondContact O-N 3.43Å; N105-C109 PolarHBondContact O-SG 2.84Å; N105-C109 VanDerWaalsContact O-SG 3.39Å
106	A	91.4	Very high	87	Confident	55 Å²	55	74.1 Å²	74.1	46%	0.455	44%	0.436	S	S	.	.	H	α-helix	trans	-64	-43	174.5	0	0	0	0	0	111.9	V102 I103 R104 C109	V102-A106 PolarHBondContact O-N 3.45Å; I103-A106 WeakPolarHBondContact O-CB 3.26Å; I103-A106 PolarHBondContact O-N 3.2Å; R104-A106 VanDerWaalsContact C-N 3.3Å; R104-A106 PolarHBondContact O-N 3.21Å; A106-C109 WeakPolarHBondContact O-CB 3.36Å; A106-C109 PolarHBondContact O-N 3.24Å
107	F	92.9	Very high	88.7	Confident	37 Å²	37	72.7 Å²	72.7	16%	0.162	41%	0.412	C	S	.	.	H	α-helix	trans	-66.7	-38.4	172.8	-77.6	-70.2	0	0	0	112.6	I103 R104 C109 F110 I118 L123 F154 Y156 F159 T160	I103-F107 HydrophobicContact CG2-CD2 4.13Å; I103-F107 HydrophobicContact CG2-CE2 3.87Å; I103-F107 WeakPolarHBondContact O-CD2 3.49Å; I103-F107 PolarHBondContact O-N 2.89Å; I103-F107 VanDerWaalsContact O-N 3.16Å; R104-F107 PolarHBondContact O-N 3.49Å; F107-C109 PolarHBondContact O-N 3.11Å; F107-C109 VanDerWaalsContact O-N 3.1Å; F107-F110 PolarHBondContact O-N 3.34Å; F107-I118 HydrophobicContact CB-CD1 4.08Å; F107-I118 HydrophobicContact CD1-CD1 3.82Å; F107-I118 HydrophobicContact CG-CD1 4.42Å; F107-L123 HydrophobicContact CE1-CD1 4.05Å; F107-L123 HydrophobicContact CE1-CD2 4.48Å; F107-F154 HydrophobicContact CD1-CE1 4.31Å; F107-F154 AromaticContact CE1-CE1 3.92Å; F107-F154 HydrophobicContact CE1-CE1 3.92Å; F107-F154 HydrophobicContact CE1-CZ 4.48Å; F107-F154 HydrophobicContact CZ-CE1 4.18Å; F107-F154 HydrophobicContact CZ-CZ 4.37Å; F107-Y156 HydrophobicContact CB-CD1 4.17Å; F107-Y156 HydrophobicContact CB-CD2 3.46Å; F107-Y156 VanDerWaalsContact CB-CD2 3.46Å; F107-Y156 HydrophobicContact CB-CE2 4.01Å; F107-Y156 HydrophobicContact CB-CG 3.55Å; F107-Y156 HydrophobicContact CG-CD2 4.23Å; F107-Y156 HydrophobicContact CG-CG 4.07Å; F107-F159 HydrophobicContact CE2-CD1 4.19Å; F107-F159 HydrophobicContact CE2-CE1 4.44Å; F107-F159 HydrophobicContact CZ-CD1 4.31Å; F107-F159 HydrophobicContact CZ-CE1 4.34Å; F107-T160 HydrophobicContact CD2-CG2 4.15Å; F107-T160 HydrophobicContact CE2-CG2 4.34Å
108	A	92.9	Very high	90	Very high	38 Å²	38	70.5 Å²	70.5	31%	0.314	40%	0.399	S	S	.	.	H	α-helix	trans	-59.9	-22.3	178.9	0	0	0	0	0	113.3	R104 N105 F110 D111	R104-A108 WeakPolarHBondContact O-CB 3.2Å; R104-A108 PolarHBondContact O-N 2.99Å; N105-A108 PolarHBondContact O-N 3.08Å; A108-F110 PolarHBondContact O-N 2.83Å; A108-D111 PolarHBondContact O-N 2.75Å
109	C	91.2	Very high	90.7	Very high	101 Å²	101	69.9 Å²	69.9	68%	0.682	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.7	171.7	-66.1	0	0	0	0	113.8	N105 A106 F107	N105-C109 PolarHBondContact O-N 3.43Å; N105-C109 PolarHBondContact O-SG 2.84Å; N105-C109 VanDerWaalsContact O-SG 3.39Å; A106-C109 WeakPolarHBondContact O-CB 3.36Å; A106-C109 PolarHBondContact O-N 3.24Å; F107-C109 PolarHBondContact O-N 3.11Å; F107-C109 VanDerWaalsContact O-N 3.1Å
110	F	89.8	Confident	91.3	Very high	84 Å²	84	69.5 Å²	69.5	37%	0.368	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-0.4	179.6	-57.2	-73.5	0	0	0	113.2	F107 A108 I118 Y122 L126	F107-F110 PolarHBondContact O-N 3.34Å; A108-F110 PolarHBondContact O-N 2.83Å; F110-I118 HydrophobicContact CB-CD1 4.09Å; F110-Y122 HydrophobicContact CB-CE1 4.16Å; F110-L126 HydrophobicContact CB-CD1 4.1Å; F110-L126 HydrophobicContact CD1-CD1 3.39Å; F110-L126 HydrophobicContact CD1-CD2 4.02Å; F110-L126 HydrophobicContact CD1-CG 4.36Å; F110-L126 HydrophobicContact CD2-CD1 4.21Å; F110-L126 HydrophobicContact CE1-CD1 3.76Å; F110-L126 HydrophobicContact CE1-CD2 3.78Å; F110-L126 HydrophobicContact CE1-CG 4.38Å; F110-L126 HydrophobicContact CG-CD1 3.64Å; F110-L126 HydrophobicContact CZ-CD1 4.3Å
111	D	92.6	Very high	91.7	Very high	16 Å²	16	73.7 Å²	73.7	9%	0.086	40%	0.404	C	S	.	.			trans	-117.1	79.2	176.5	176.3	17.6	0	0	0	108.7	A108 E113 G114 T115 G116 I118 Y156	A108-D111 PolarHBondContact O-N 2.75Å; D111-E113 PolarHBondContact O-N 3.5Å; D111-E113 VanDerWaalsContact O-N 3.14Å; D111-G114 PolarHBondContact O-N 2.99Å; D111-G114 PolarHBondContact OD1-N 3.34Å; D111-G114 VanDerWaalsContact OD1-N 3.12Å; D111-G114 VanDerWaalsContact OD2-C 3.26Å; D111-G114 WeakPolarHBondContact OD2-CA 3.37Å; D111-T115 VanDerWaalsContact CG-N 3.32Å; D111-T115 PolarHBondContact OD1-N 3.04Å; D111-T115 VanDerWaalsContact OD1-N 3.12Å; D111-T115 PolarHBondContact OD1-OG1 3.12Å; D111-T115 PolarHBondContact OD2-N 3.47Å; D111-T115 PolarHBondContact OD2-OG1 3.44Å; D111-G116 PolarHBondContact OD2-N 3.06Å; D111-I118 HydrophobicContact CB-CG1 4.27Å; D111-Y156 HydrophobicContact CB-CE1 4Å; D111-Y156 WeakPolarHBondContact OD2-CE1 3.41Å; D111-Y156 PolarHBondContact OD2-OH 3.29Å; D111-Y156 VanDerWaalsContact OD2-OH 3.11Å
112	E	88.4	Confident	92.1	Very high	198 Å²	198	74.2 Å²	74.2	93%	0.925	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-28.4	-176.6	-65	-172.9	173.9	0	0	113
113	E	90.1	Very high	92.3	Very high	173 Å²	173	71.1 Å²	71.1	81%	0.808	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-10	-179.9	-66.4	-170.2	173.7	0	0	113	D111 T115	D111-E113 PolarHBondContact O-N 3.5Å; D111-E113 VanDerWaalsContact O-N 3.14Å; E113-T115 VanDerWaalsContact C-N 3.27Å; E113-T115 HydrophobicContact CB-CG2 3.75Å; E113-T115 PolarHBondContact O-N 3.26Å
114	G	90.8	Very high	92.5	Very high	57 Å²	57	73.1 Å²	73.1	59%	0.588	39%	0.387	S	S	*	.			trans	62.4	33.1	179.8	0	0	0	0	0	113.3	D111 G116	D111-G114 PolarHBondContact O-N 2.99Å; D111-G114 PolarHBondContact OD1-N 3.34Å; D111-G114 VanDerWaalsContact OD1-N 3.12Å; D111-G114 VanDerWaalsContact OD2-C 3.26Å; D111-G114 WeakPolarHBondContact OD2-CA 3.37Å; G114-G116 VanDerWaalsContact C-N 3.26Å; G114-G116 PolarHBondContact O-N 2.97Å
115	T	93.1	Very high	92.6	Very high	77 Å²	77	75 Å²	75	47%	0.472	40%	0.399	S	S	.	.			trans	-69.9	-19.9	-178.9	61	0	0	0	0	113.7	D111 E113 V117	D111-T115 VanDerWaalsContact CG-N 3.32Å; D111-T115 PolarHBondContact OD1-N 3.04Å; D111-T115 VanDerWaalsContact OD1-N 3.12Å; D111-T115 PolarHBondContact OD1-OG1 3.12Å; D111-T115 PolarHBondContact OD2-N 3.47Å; D111-T115 PolarHBondContact OD2-OG1 3.44Å; E113-T115 VanDerWaalsContact C-N 3.27Å; E113-T115 HydrophobicContact CB-CG2 3.75Å; E113-T115 PolarHBondContact O-N 3.26Å; T115-V117 VanDerWaalsContact C-N 3.3Å; T115-V117 VanDerWaalsContact OG1-CG2 3.27Å; T115-V117 WeakPolarHBondContact OG1-CG2 3.43Å; T115-V117 PolarHBondContact OG1-N 2.85Å; T115-V117 PolarHBondContact OG1-O 2.87Å
116	G	93.3	Very high	92.6	Very high	11 Å²	11	71.1 Å²	71.1	11%	0.113	38%	0.378	C	S	.	.	S	Bend	trans	82.8	7.5	-172.1	0	0	0	0	0	113.5	D111 G114 Y156	D111-G116 PolarHBondContact OD2-N 3.06Å; G114-G116 VanDerWaalsContact C-N 3.26Å; G114-G116 PolarHBondContact O-N 2.97Å; G116-Y156 VanDerWaalsContact C-CD1 3.49Å; G116-Y156 VanDerWaalsContact CA-CE1 3.42Å; G116-Y156 WeakPolarHBondContact O-CD1 3.45Å; G116-Y156 WeakPolarHBondContact O-CE1 3.45Å
117	V	95.1	Very high	92.6	Very high	44 Å²	44	70.3 Å²	70.3	27%	0.267	37%	0.366	S	S	.	.			trans	-135.1	151.4	179.4	-61.6	0	0	0	0	112	T115 N153 F154 N155	T115-V117 VanDerWaalsContact C-N 3.3Å; T115-V117 VanDerWaalsContact OG1-CG2 3.27Å; T115-V117 WeakPolarHBondContact OG1-CG2 3.43Å; T115-V117 PolarHBondContact OG1-N 2.85Å; T115-V117 PolarHBondContact OG1-O 2.87Å; V117-N153 HydrophobicContact CB-CB 4.14Å; V117-N153 HydrophobicContact CG1-CB 4.35Å; V117-N153 HydrophobicContact CG2-CB 4.38Å; V117-F154 CarbonylContact C-O 3.55Å; V117-F154 VanDerWaalsContact CA-O 3.22Å; V117-F154 WeakPolarHBondContact CA-O 3.21Å; V117-N155 HydrophobicContact CG1-CB 4.28Å
118	I	95.2	Very high	92.6	Very high	6 Å²	6	70.3 Å²	70.3	3%	0.031	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	143	173.8	-61.3	166.7	0	0	0	107.9	F107 F110 D111 E120 Y122 L123 F154 Y156	F107-I118 HydrophobicContact CB-CD1 4.08Å; F107-I118 HydrophobicContact CD1-CD1 3.82Å; F107-I118 HydrophobicContact CG-CD1 4.42Å; F110-I118 HydrophobicContact CB-CD1 4.09Å; D111-I118 HydrophobicContact CB-CG1 4.27Å; I118-E120 PolarHBondContact O-N 3.14Å; I118-Y122 HydrophobicContact CG2-CD1 3.85Å; I118-L123 HydrophobicContact CG2-CB 4.1Å; I118-F154 PolarHBondContact N-O 3.27Å; I118-F154 WeakPolarHBondContact O-CA 3.38Å; I118-F154 VanDerWaalsContact O-CB 3.31Å; I118-F154 WeakPolarHBondContact O-CB 3.47Å; I118-F154 PolarHBondContact O-N 3.48Å; I118-Y156 HydrophobicContact CD1-CD1 3.89Å; I118-Y156 HydrophobicContact CD1-CE1 4.36Å; I118-Y156 HydrophobicContact CG1-CD1 3.87Å; I118-Y156 HydrophobicContact CG1-CE1 4.17Å
119	Q	95.7	Very high	92.4	Very high	93 Å²	93	71.5 Å²	71.5	44%	0.435	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	131.4	173	-95.8	-103.4	53.1	0	0	111	E121 Y122 L123	Q119-E121 VanDerWaalsContact C-N 3.27Å; Q119-E121 PolarHBondContact O-N 3.07Å; Q119-Y122 PolarHBondContact O-N 2.69Å; Q119-Y122 VanDerWaalsContact O-N 3.13Å; Q119-L123 PolarHBondContact O-N 3.23Å
120	E	93.9	Very high	92	Very high	69 Å²	69	72.2 Å²	72.2	32%	0.322	37%	0.367	S	S	.	.	H	α-helix	trans	-59.8	-37.3	-177.7	72.6	176.8	172.4	0	0	112.3	I118 L123 R124 F143 I148 G152	I118-E120 PolarHBondContact O-N 3.14Å; E120-L123 PolarHBondContact O-N 2.67Å; E120-R124 WeakPolarHBondContact O-CB 3.37Å; E120-R124 PolarHBondContact O-N 2.79Å; E120-F143 HydrophobicContact CB-CE2 4.06Å; E120-I148 HydrophobicContact CB-CD1 4.3Å; E120-I148 HydrophobicContact CB-CG2 4.42Å; E120-G152 WeakPolarHBondContact CB-O 3.44Å; E120-G152 PolarHBondContact N-O 3.4Å
121	E	93.5	Very high	91.7	Very high	138 Å²	138	71.6 Å²	71.6	65%	0.645	38%	0.384	S	S	*	.	H	α-helix	trans	-64.2	-43.3	178.3	-65.4	177.9	169.8	0	0	110.7	Q119 R124 E125	Q119-E121 VanDerWaalsContact C-N 3.27Å; Q119-E121 PolarHBondContact O-N 3.07Å; E121-R124 PolarHBondContact O-N 3.07Å; E121-E125 PolarHBondContact O-N 3.43Å
122	Y	93.3	Very high	91.3	Very high	98 Å²	98	78.2 Å²	78.2	38%	0.384	42%	0.42	S	S	.	.	H	α-helix	trans	-68.1	-42.1	177.2	179.7	-125	0	0	0	111.3	F110 I118 Q119 R124 E125 L126	F110-Y122 HydrophobicContact CB-CE1 4.16Å; I118-Y122 HydrophobicContact CG2-CD1 3.85Å; Q119-Y122 PolarHBondContact O-N 2.69Å; Q119-Y122 VanDerWaalsContact O-N 3.13Å; Y122-R124 PolarHBondContact O-N 2.86Å; Y122-E125 WeakPolarHBondContact O-CB 3.39Å; Y122-E125 PolarHBondContact O-N 3.04Å; Y122-L126 HydrophobicContact CD1-CD1 4.17Å; Y122-L126 HydrophobicContact CE1-CD1 3.79Å; Y122-L126 HydrophobicContact CE1-CG 4.47Å; Y122-L126 HydrophobicContact CE2-CD1 4.41Å; Y122-L126 HydrophobicContact CE2-CD2 4.2Å; Y122-L126 HydrophobicContact CE2-CG 4.22Å; Y122-L126 WeakPolarHBondContact O-CG 3.44Å; Y122-L126 PolarHBondContact O-N 3.14Å
123	L	92.9	Very high	91.4	Very high	6 Å²	6	77.3 Å²	77.3	3%	0.031	41%	0.408	C	S	.	.	H	α-helix	trans	-64	-40	176.5	-177.1	59	0	0	0	111.9	F107 I118 Q119 E120 E125 L126 L127 F143 F154	F107-L123 HydrophobicContact CE1-CD1 4.05Å; F107-L123 HydrophobicContact CE1-CD2 4.48Å; I118-L123 HydrophobicContact CG2-CB 4.1Å; Q119-L123 PolarHBondContact O-N 3.23Å; E120-L123 PolarHBondContact O-N 2.67Å; L123-E125 VanDerWaalsContact C-N 3.35Å; L123-L126 WeakPolarHBondContact O-CB 3.3Å; L123-L126 PolarHBondContact O-N 3.44Å; L123-L127 HydrophobicContact CD1-CD1 4.34Å; L123-L127 HydrophobicContact CD1-CG 4.29Å; L123-L127 HydrophobicContact CG-CD1 4.07Å; L123-L127 HydrophobicContact CG-CG 4.47Å; L123-L127 VanDerWaalsContact O-CG 3.32Å; L123-L127 WeakPolarHBondContact O-CG 3.32Å; L123-L127 PolarHBondContact O-N 3.42Å; L123-F143 HydrophobicContact CB-CZ 4.24Å; L123-F143 HydrophobicContact CD2-CE1 3.87Å; L123-F143 HydrophobicContact CD2-CZ 4.1Å; L123-F143 HydrophobicContact CG-CE1 4.26Å; L123-F143 HydrophobicContact CG-CZ 4.11Å; L123-F154 HydrophobicContact CD2-CB 4.36Å; L123-F154 HydrophobicContact CD2-CD1 3.54Å; L123-F154 HydrophobicContact CD2-CD2 4.17Å; L123-F154 HydrophobicContact CD2-CE1 3.68Å; L123-F154 HydrophobicContact CD2-CE2 4.3Å; L123-F154 HydrophobicContact CD2-CG 3.78Å; L123-F154 HydrophobicContact CD2-CZ 4.06Å
124	R	93.9	Very high	91.4	Very high	66 Å²	66	73.4 Å²	73.4	25%	0.249	39%	0.388	C	S	.	.	H	α-helix	trans	-60	-44.8	173.2	176.3	179.2	-60.7	-95	0.2	111.5	E120 E121 Y122 L126 L127 T128 D136 V139 D140 F143	E120-R124 WeakPolarHBondContact O-CB 3.37Å; E120-R124 PolarHBondContact O-N 2.79Å; E121-R124 PolarHBondContact O-N 3.07Å; Y122-R124 PolarHBondContact O-N 2.86Å; R124-L126 VanDerWaalsContact C-N 3.31Å; R124-L126 PolarHBondContact O-N 3.5Å; R124-L127 PolarHBondContact O-N 2.96Å; R124-T128 HydrophobicContact CG-CG2 4.3Å; R124-T128 WeakPolarHBondContact O-CB 3.35Å; R124-T128 WeakPolarHBondContact O-CG2 3.41Å; R124-T128 PolarHBondContact O-N 2.73Å; R124-T128 PolarHBondContact O-OG1 2.8Å; R124-D136 IonicContact NH1-OD1 2.91Å; R124-V139 HydrophobicContact CB-CG1 4.16Å; R124-V139 HydrophobicContact CG-CG1 4.06Å; R124-D140 IonicContact CZ-OD1 3.53Å; R124-D140 VanDerWaalsContact CZ-OD1 3.24Å; R124-D140 IonicContact NH1-OD1 2.66Å; R124-D140 PolarHBondContact NH1-OD1 2.87Å; R124-D140 IonicContact NH2-OD1 3.24Å; R124-D140 PolarHBondContact NH2-OD1 3.42Å; R124-F143 HydrophobicContact CB-CE2 4.19Å; R124-F143 HydrophobicContact CB-CZ 4.39Å
125	E	93.9	Very high	91.6	Very high	114 Å²	114	73.8 Å²	73.8	53%	0.533	38%	0.38	S	S	.	.	H	α-helix	trans	-58.2	-45.7	175.9	-173.3	-178.1	178.9	0	0	110.8	E121 Y122 L123 L127 T128 T129	E121-E125 PolarHBondContact O-N 3.43Å; Y122-E125 WeakPolarHBondContact O-CB 3.39Å; Y122-E125 PolarHBondContact O-N 3.04Å; L123-E125 VanDerWaalsContact C-N 3.35Å; E125-L127 PolarHBondContact O-N 3.24Å; E125-T128 PolarHBondContact O-N 3.32Å; E125-T128 PolarHBondContact O-OG1 3.19Å; E125-T129 HydrophobicContact CG-CG2 4.17Å; E125-T129 VanDerWaalsContact O-CB 3.28Å; E125-T129 WeakPolarHBondContact O-CB 3.44Å; E125-T129 VanDerWaalsContact O-CG2 3.25Å; E125-T129 WeakPolarHBondContact O-CG2 3.45Å; E125-T129 PolarHBondContact O-N 3.16Å; E125-T129 PolarHBondContact O-OG1 3.45Å
126	L	91.3	Very high	91.5	Very high	12 Å²	12	74.5 Å²	74.5	6%	0.063	38%	0.381	C	S	.	.	H	α-helix	trans	-59.2	-48.6	177.5	-67.3	173.4	0	0	0	112.1	F110 Y122 L123 R124 T128 T129 M130	F110-L126 HydrophobicContact CB-CD1 4.1Å; F110-L126 HydrophobicContact CD1-CD1 3.39Å; F110-L126 HydrophobicContact CD1-CD2 4.02Å; F110-L126 HydrophobicContact CD1-CG 4.36Å; F110-L126 HydrophobicContact CD2-CD1 4.21Å; F110-L126 HydrophobicContact CE1-CD1 3.76Å; F110-L126 HydrophobicContact CE1-CD2 3.78Å; F110-L126 HydrophobicContact CE1-CG 4.38Å; F110-L126 HydrophobicContact CG-CD1 3.64Å; F110-L126 HydrophobicContact CZ-CD1 4.3Å; Y122-L126 HydrophobicContact CD1-CD1 4.17Å; Y122-L126 HydrophobicContact CE1-CD1 3.79Å; Y122-L126 HydrophobicContact CE1-CG 4.47Å; Y122-L126 HydrophobicContact CE2-CD1 4.41Å; Y122-L126 HydrophobicContact CE2-CD2 4.2Å; Y122-L126 HydrophobicContact CE2-CG 4.22Å; Y122-L126 WeakPolarHBondContact O-CG 3.44Å; Y122-L126 PolarHBondContact O-N 3.14Å; L123-L126 WeakPolarHBondContact O-CB 3.3Å; L123-L126 PolarHBondContact O-N 3.44Å; R124-L126 VanDerWaalsContact C-N 3.31Å; R124-L126 PolarHBondContact O-N 3.5Å; L126-T128 VanDerWaalsContact C-N 3.32Å; L126-T128 PolarHBondContact O-N 2.92Å; L126-T129 PolarHBondContact O-N 2.87Å; L126-M130 HydrophobicContact CD2-CE 3.67Å; L126-M130 HydrophobicContact CD2-SD 3.76Å; L126-M130 WeakPolarHBondContact O-CB 3.49Å; L126-M130 PolarHBondContact O-N 3.46Å
127	L	91.6	Very high	91.5	Very high	39 Å²	39	80.1 Å²	80.1	20%	0.204	40%	0.404	C	S	.	.	H	α-helix	trans	-67.9	-28.2	-176.7	-68.3	172	0	0	0	113.9	L123 R124 E125 F134 V139 L142 F143	L123-L127 HydrophobicContact CD1-CD1 4.34Å; L123-L127 HydrophobicContact CD1-CG 4.29Å; L123-L127 HydrophobicContact CG-CD1 4.07Å; L123-L127 HydrophobicContact CG-CG 4.47Å; L123-L127 VanDerWaalsContact O-CG 3.32Å; L123-L127 WeakPolarHBondContact O-CG 3.32Å; L123-L127 PolarHBondContact O-N 3.42Å; R124-L127 PolarHBondContact O-N 2.96Å; E125-L127 PolarHBondContact O-N 3.24Å; L127-F134 PolarHBondContact O-N 2.77Å; L127-V139 HydrophobicContact CB-CG2 4.07Å; L127-V139 HydrophobicContact CD1-CG1 4.38Å; L127-V139 HydrophobicContact CD1-CG2 4.31Å; L127-L142 HydrophobicContact CD1-CD2 3.67Å; L127-F143 HydrophobicContact CD1-CE1 4.31Å
128	T	93	Very high	91.3	Very high	37 Å²	37	82.7 Å²	82.7	23%	0.227	41%	0.413	C	S	.	.	H	α-helix	trans	-94.5	-18.1	-178.1	55.8	0	0	0	0	113.1	R124 E125 L126 R133 V139	R124-T128 HydrophobicContact CG-CG2 4.3Å; R124-T128 WeakPolarHBondContact O-CB 3.35Å; R124-T128 WeakPolarHBondContact O-CG2 3.41Å; R124-T128 PolarHBondContact O-N 2.73Å; R124-T128 PolarHBondContact O-OG1 2.8Å; E125-T128 PolarHBondContact O-N 3.32Å; E125-T128 PolarHBondContact O-OG1 3.19Å; L126-T128 VanDerWaalsContact C-N 3.32Å; L126-T128 PolarHBondContact O-N 2.92Å; T128-R133 VanDerWaalsContact O-CD 3.25Å; T128-R133 WeakPolarHBondContact O-CD 3.1Å; T128-R133 VanDerWaalsContact O-CG 3.3Å; T128-R133 WeakPolarHBondContact O-CG 3.29Å; T128-V139 HydrophobicContact CG2-CG2 4.01Å
129	T	89	Confident	91.1	Very high	63 Å²	63	82.4 Å²	82.4	39%	0.387	41%	0.411	S	S	.	.	H	α-helix	trans	-110	-32.9	-174.7	64.8	0	0	0	0	114.1	E125 L126 R133	E125-T129 HydrophobicContact CG-CG2 4.17Å; E125-T129 VanDerWaalsContact O-CB 3.28Å; E125-T129 WeakPolarHBondContact O-CB 3.44Å; E125-T129 VanDerWaalsContact O-CG2 3.25Å; E125-T129 WeakPolarHBondContact O-CG2 3.45Å; E125-T129 PolarHBondContact O-N 3.16Å; E125-T129 PolarHBondContact O-OG1 3.45Å; L126-T129 PolarHBondContact O-N 2.87Å; T129-R133 PolarHBondContact O-NE 2.87Å; T129-R133 PolarHBondContact O-NH2 3.18Å
130	M	82.1	Confident	90.9	Very high	115 Å²	115	82.1 Å²	82.1	57%	0.567	41%	0.413	S	S	*	.	S	Bend	trans	-105.9	138.4	-172.4	-58.3	-163	-177.9	0	0	112.7	L126	L126-M130 HydrophobicContact CD2-CE 3.67Å; L126-M130 HydrophobicContact CD2-SD 3.76Å; L126-M130 WeakPolarHBondContact O-CB 3.49Å; L126-M130 PolarHBondContact O-N 3.46Å
131	G	83.6	Confident	90.8	Very high	71 Å²	71	84.7 Å²	84.7	73%	0.732	43%	0.425	S	S	*	.	S	Bend	trans	67.4	-140.6	175.4	0	0	0	0	0	113.7	R133	G131-R133 PolarHBondContact O-N 3.08Å
132	D	84.8	Confident	90.5	Very high	156 Å²	156	80.7 Å²	80.7	83%	0.834	41%	0.408	S	S	*	.	S	Bend	trans	-73.4	109.8	170.3	-69	-28.9	0	0	0	108.4	F134	D132-F134 WeakPolarHBondContact O-CD2 3.22Å
133	R	89.5	Confident	90.3	Very high	179 Å²	179	77 Å²	77	68%	0.675	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-81.1	126.5	-169.2	-62.6	176.5	178.2	172.4	-0.8	110.8	T128 T129 G131	T128-R133 VanDerWaalsContact O-CD 3.25Å; T128-R133 WeakPolarHBondContact O-CD 3.1Å; T128-R133 VanDerWaalsContact O-CG 3.3Å; T128-R133 WeakPolarHBondContact O-CG 3.29Å; T129-R133 PolarHBondContact O-NE 2.87Å; T129-R133 PolarHBondContact O-NH2 3.18Å; G131-R133 PolarHBondContact O-N 3.08Å
134	F	90.9	Very high	90.1	Very high	90 Å²	90	85.6 Å²	85.6	40%	0.395	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-76	148	170.6	-74.6	-118.8	0	0	0	109.3	L127 D132 E138 V139	L127-F134 PolarHBondContact O-N 2.77Å; D132-F134 WeakPolarHBondContact O-CD2 3.22Å; F134-E138 VanDerWaalsContact CA-OE2 3.26Å; F134-E138 WeakPolarHBondContact CA-OE2 3.5Å; F134-E138 HydrophobicContact CB-CB 4.2Å; F134-E138 HydrophobicContact CD1-CB 3.8Å; F134-E138 HydrophobicContact CG-CB 4.47Å; F134-V139 HydrophobicContact CB-CG2 3.77Å
135	T	94.1	Very high	89.6	Confident	66 Å²	66	90.7 Å²	90.7	41%	0.405	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-75.6	160.8	166.3	82	0	0	0	0	110.2	E137 E138 V139	T135-E137 VanDerWaalsContact CB-OE2 3.24Å; T135-E137 WeakPolarHBondContact CB-OE2 3.46Å; T135-E137 PolarHBondContact O-N 3.39Å; T135-E137 PolarHBondContact OG1-N 3.05Å; T135-E137 PolarHBondContact OG1-OE2 2.95Å; T135-E138 PolarHBondContact N-OE2 3.07Å; T135-E138 PolarHBondContact O-N 2.96Å; T135-E138 VanDerWaalsContact O-N 3.08Å; T135-E138 PolarHBondContact OG1-N 2.85Å; T135-V139 PolarHBondContact O-N 3.48Å; T135-V139 VanDerWaalsContact O-N 3.07Å
136	D	91.3	Very high	89.4	Confident	92 Å²	92	86 Å²	86	49%	0.492	43%	0.433	S	S	.	.	H	α-helix	trans	-57.7	-35.9	177.2	-73	-42.3	0	0	0	111.5	R124 V139 D140	R124-D136 IonicContact NH1-OD1 2.91Å; D136-V139 PolarHBondContact O-N 3.4Å; D136-D140 PolarHBondContact O-N 3.03Å
137	E	93	Very high	89.4	Confident	129 Å²	129	87 Å²	87	60%	0.603	44%	0.44	S	S	*	.	H	α-helix	trans	-66	-39.4	176.2	-58.3	79.4	-171.9	0	0	112.5	T135 V139 D140 E141	T135-E137 VanDerWaalsContact CB-OE2 3.24Å; T135-E137 WeakPolarHBondContact CB-OE2 3.46Å; T135-E137 PolarHBondContact O-N 3.39Å; T135-E137 PolarHBondContact OG1-N 3.05Å; T135-E137 PolarHBondContact OG1-OE2 2.95Å; E137-V139 VanDerWaalsContact C-N 3.33Å; E137-D140 PolarHBondContact O-N 3.24Å; E137-E141 WeakPolarHBondContact O-CG 3.37Å; E137-E141 PolarHBondContact O-N 3.03Å
138	E	90.6	Very high	89.5	Confident	98 Å²	98	87.2 Å²	87.2	46%	0.458	44%	0.441	S	S	.	.	H	α-helix	trans	-67.6	-36	176.9	-66.5	174.5	141.6	0	0	111.6	F134 T135 L142	F134-E138 VanDerWaalsContact CA-OE2 3.26Å; F134-E138 WeakPolarHBondContact CA-OE2 3.5Å; F134-E138 HydrophobicContact CB-CB 4.2Å; F134-E138 HydrophobicContact CD1-CB 3.8Å; F134-E138 HydrophobicContact CG-CB 4.47Å; T135-E138 PolarHBondContact N-OE2 3.07Å; T135-E138 PolarHBondContact O-N 2.96Å; T135-E138 VanDerWaalsContact O-N 3.08Å; T135-E138 PolarHBondContact OG1-N 2.85Å; E138-L142 WeakPolarHBondContact O-CB 3.4Å; E138-L142 PolarHBondContact O-N 3.34Å
139	V	91.8	Very high	89.5	Confident	0 Å²	0	89 Å²	89	0%	0	45%	0.449	C	S	.	.	H	α-helix	trans	-68.9	-39.6	174.1	-179.3	0	0	0	0	111.2	R124 L127 T128 F134 T135 D136 E137 L142 F143	R124-V139 HydrophobicContact CB-CG1 4.16Å; R124-V139 HydrophobicContact CG-CG1 4.06Å; L127-V139 HydrophobicContact CB-CG2 4.07Å; L127-V139 HydrophobicContact CD1-CG1 4.38Å; L127-V139 HydrophobicContact CD1-CG2 4.31Å; T128-V139 HydrophobicContact CG2-CG2 4.01Å; F134-V139 HydrophobicContact CB-CG2 3.77Å; T135-V139 PolarHBondContact O-N 3.48Å; T135-V139 VanDerWaalsContact O-N 3.07Å; D136-V139 PolarHBondContact O-N 3.4Å; E137-V139 VanDerWaalsContact C-N 3.33Å; V139-L142 WeakPolarHBondContact O-CB 3.46Å; V139-L142 PolarHBondContact O-N 2.84Å; V139-F143 HydrophobicContact CG1-CD1 4.3Å; V139-F143 HydrophobicContact CG1-CD2 3.97Å; V139-F143 HydrophobicContact CG1-CE1 3.98Å; V139-F143 HydrophobicContact CG1-CE2 3.62Å; V139-F143 HydrophobicContact CG1-CG 4.29Å; V139-F143 HydrophobicContact CG1-CZ 3.63Å; V139-F143 WeakPolarHBondContact O-CB 3.49Å; V139-F143 WeakPolarHBondContact O-CG 3.31Å; V139-F143 PolarHBondContact O-N 3.05Å
140	D	91.8	Very high	89.6	Confident	86 Å²	86	96.6 Å²	96.6	46%	0.46	48%	0.477	S	S	.	.	H	α-helix	trans	-62.3	-43.2	176.4	-73.3	-8.1	0	0	0	111.6	R124 D136 E137 F143 R144	R124-D140 IonicContact CZ-OD1 3.53Å; R124-D140 VanDerWaalsContact CZ-OD1 3.24Å; R124-D140 IonicContact NH1-OD1 2.66Å; R124-D140 PolarHBondContact NH1-OD1 2.87Å; R124-D140 IonicContact NH2-OD1 3.24Å; R124-D140 PolarHBondContact NH2-OD1 3.42Å; D136-D140 PolarHBondContact O-N 3.03Å; E137-D140 PolarHBondContact O-N 3.24Å; D140-F143 PolarHBondContact O-N 3.07Å; D140-R144 PolarHBondContact O-N 3.13Å; D140-R144 VanDerWaalsContact O-N 3.07Å
141	E	90.2	Very high	90.1	Very high	123 Å²	123	99.1 Å²	99.1	58%	0.575	49%	0.485	S	S	*	.	H	α-helix	trans	-64.8	-39.8	174.6	-71.8	-62.8	158.5	0	0	111.8	E137 F143 R144	E137-E141 WeakPolarHBondContact O-CG 3.37Å; E137-E141 PolarHBondContact O-N 3.03Å; E141-F143 VanDerWaalsContact C-N 3.34Å; E141-F143 PolarHBondContact O-N 2.96Å; E141-R144 WeakPolarHBondContact O-CB 3.12Å; E141-R144 PolarHBondContact O-N 3.46Å; E141-R144 IonicContact OE1-NH1 3.97Å; E141-R144 IonicContact OE2-NH1 2.73Å
142	L	87.6	Confident	90.5	Very high	55 Å²	55	96 Å²	96	29%	0.288	45%	0.452	S	S	.	.	H	α-helix	trans	-60.3	-43.3	174.6	179.9	67.7	0	0	0	111.9	L127 E138 V139 R144 F159	L127-L142 HydrophobicContact CD1-CD2 3.67Å; E138-L142 WeakPolarHBondContact O-CB 3.4Å; E138-L142 PolarHBondContact O-N 3.34Å; V139-L142 WeakPolarHBondContact O-CB 3.46Å; V139-L142 PolarHBondContact O-N 2.84Å; L142-R144 VanDerWaalsContact C-N 3.33Å; L142-F159 HydrophobicContact CD1-CE2 4.12Å; L142-F159 HydrophobicContact CD1-CZ 3.74Å
143	F	90.2	Very high	91	Very high	21 Å²	21	90.6 Å²	90.6	9%	0.092	42%	0.424	C	S	.	.	H	α-helix	trans	-77.3	-19.8	-175.7	-72.1	0.3	0	0	0	113.3	E120 L123 R124 L127 V139 D140 E141 E145 A146 I148	E120-F143 HydrophobicContact CB-CE2 4.06Å; L123-F143 HydrophobicContact CB-CZ 4.24Å; L123-F143 HydrophobicContact CD2-CE1 3.87Å; L123-F143 HydrophobicContact CD2-CZ 4.1Å; L123-F143 HydrophobicContact CG-CE1 4.26Å; L123-F143 HydrophobicContact CG-CZ 4.11Å; R124-F143 HydrophobicContact CB-CE2 4.19Å; R124-F143 HydrophobicContact CB-CZ 4.39Å; L127-F143 HydrophobicContact CD1-CE1 4.31Å; V139-F143 HydrophobicContact CG1-CD1 4.3Å; V139-F143 HydrophobicContact CG1-CD2 3.97Å; V139-F143 HydrophobicContact CG1-CE1 3.98Å; V139-F143 HydrophobicContact CG1-CE2 3.62Å; V139-F143 HydrophobicContact CG1-CG 4.29Å; V139-F143 HydrophobicContact CG1-CZ 3.63Å; V139-F143 WeakPolarHBondContact O-CB 3.49Å; V139-F143 WeakPolarHBondContact O-CG 3.31Å; V139-F143 PolarHBondContact O-N 3.05Å; D140-F143 PolarHBondContact O-N 3.07Å; E141-F143 VanDerWaalsContact C-N 3.34Å; E141-F143 PolarHBondContact O-N 2.96Å; F143-E145 VanDerWaalsContact C-N 3.29Å; F143-E145 PolarHBondContact O-N 3.24Å; F143-A146 PolarHBondContact O-N 2.87Å; F143-I148 HydrophobicContact CB-CD1 3.76Å; F143-I148 HydrophobicContact CD1-CD1 4.04Å; F143-I148 HydrophobicContact CD2-CD1 4.02Å; F143-I148 HydrophobicContact CG-CD1 3.69Å
144	R	88.2	Confident	91.3	Very high	186 Å²	186	82.1 Å²	82.1	70%	0.702	39%	0.392	S	S	*	.	H	α-helix	trans	-58.1	-38.7	-178.8	-171.5	177.4	-177.7	167.5	0.3	113.8	D140 E141 L142	D140-R144 PolarHBondContact O-N 3.13Å; D140-R144 VanDerWaalsContact O-N 3.07Å; E141-R144 WeakPolarHBondContact O-CB 3.12Å; E141-R144 PolarHBondContact O-N 3.46Å; E141-R144 IonicContact OE1-NH1 3.97Å; E141-R144 IonicContact OE2-NH1 2.73Å; L142-R144 VanDerWaalsContact C-N 3.33Å
145	E	83.6	Confident	91.5	Very high	173 Å²	173	80.7 Å²	80.7	81%	0.808	39%	0.388	S	S	*	.	S	Bend	trans	-107.8	2.8	179.4	-60.8	-170.6	174.9	0	0	112.7	F143	F143-E145 VanDerWaalsContact C-N 3.29Å; F143-E145 PolarHBondContact O-N 3.24Å
146	A	88.9	Confident	91.5	Very high	15 Å²	15	78.1 Å²	78.1	12%	0.124	37%	0.371	C	S	.	.	S	Bend	trans	-74	148.2	-179.1	0	0	0	0	0	112.2	F143 I148 F154 F159	F143-A146 PolarHBondContact O-N 2.87Å; A146-I148 HydrophobicContact CB-CD1 3.96Å; A146-I148 HydrophobicContact CB-CG1 3.87Å; A146-I148 PolarHBondContact O-N 2.81Å; A146-F154 HydrophobicContact CB-CD2 3.88Å; A146-F154 HydrophobicContact CB-CE2 3.68Å; A146-F159 HydrophobicContact CB-CD2 4.38Å
147	P	92.2	Very high	91.5	Very high	34 Å²	34	76.5 Å²	76.5	22%	0.221	36%	0.364	C	S	.	.			trans	-76.4	73.2	174.7	33.5	-35.8	0	0	0	110.8	N155 A158 F159 I162	P147-N155 HydrophobicContact CB-CB 4.37Å; P147-N155 HydrophobicContact CG-CB 4.31Å; P147-N155 VanDerWaalsContact CG-O 3.28Å; P147-N155 WeakPolarHBondContact CG-O 3.47Å; P147-N155 PolarHBondContact O-N 2.78Å; P147-A158 HydrophobicContact CB-CB 4.01Å; P147-A158 HydrophobicContact CG-CB 3.83Å; P147-F159 HydrophobicContact CG-CB 3.86Å; P147-I162 HydrophobicContact CG-CD1 4.36Å
148	I	93.8	Very high	91.5	Very high	43 Å²	43	72 Å²	72	22%	0.221	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-102.1	127.7	176.5	-56.1	174.9	0	0	0	109.3	E120 F143 A146 N153 F154	E120-I148 HydrophobicContact CB-CD1 4.3Å; E120-I148 HydrophobicContact CB-CG2 4.42Å; F143-I148 HydrophobicContact CB-CD1 3.76Å; F143-I148 HydrophobicContact CD1-CD1 4.04Å; F143-I148 HydrophobicContact CD2-CD1 4.02Å; F143-I148 HydrophobicContact CG-CD1 3.69Å; A146-I148 HydrophobicContact CB-CD1 3.96Å; A146-I148 HydrophobicContact CB-CG1 3.87Å; A146-I148 PolarHBondContact O-N 2.81Å; I148-N153 WeakPolarHBondContact CA-O 3.42Å; I148-F154 HydrophobicContact CD1-CD2 4.24Å; I148-F154 HydrophobicContact CG1-CB 4.07Å; I148-F154 HydrophobicContact CG1-CD2 3.8Å; I148-F154 HydrophobicContact CG1-CG 4.44Å
149	D	92.6	Very high	91.5	Very high	74 Å²	74	68.6 Å²	68.6	40%	0.396	33%	0.332	S	S	.	.			trans	-80.1	172.3	176.6	80.8	6.6	0	0	0	112.7	K151 G152 N153	D149-K151 PolarHBondContact O-N 3.45Å; D149-K151 VanDerWaalsContact OD1-CA 3.29Å; D149-K151 WeakPolarHBondContact OD1-CA 3.47Å; D149-K151 VanDerWaalsContact OD1-CB 3.31Å; D149-K151 WeakPolarHBondContact OD1-CB 3.38Å; D149-K151 PolarHBondContact OD1-N 3.11Å; D149-G152 PolarHBondContact O-N 3.29Å; D149-G152 PolarHBondContact OD1-N 3.26Å; D149-N153 PolarHBondContact N-O 3.33Å; D149-N153 WeakPolarHBondContact OD1-CB 3.43Å; D149-N153 PolarHBondContact OD1-N 2.92Å; D149-N153 PolarHBondContact OD1-ND2 3.25Å; D149-N153 PolarHBondContact OD2-ND2 3Å
150	K	90.8	Very high	91.4	Very high	222 Å²	222	68.6 Å²	68.6	97%	0.965	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-8.7	179.6	-64.8	-173.5	178.8	-177.9	0	114.6
151	K	92.3	Very high	91.1	Very high	169 Å²	169	70.8 Å²	70.8	74%	0.735	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	4.6	178.1	-57.9	178.7	179.2	178.8	0	111.6	D149	D149-K151 PolarHBondContact O-N 3.45Å; D149-K151 VanDerWaalsContact OD1-CA 3.29Å; D149-K151 WeakPolarHBondContact OD1-CA 3.47Å; D149-K151 VanDerWaalsContact OD1-CB 3.31Å; D149-K151 WeakPolarHBondContact OD1-CB 3.38Å; D149-K151 PolarHBondContact OD1-N 3.11Å
152	G	92.8	Very high	90.9	Very high	5 Å²	5	67.9 Å²	67.9	5%	0.052	32%	0.322	C	S	.	.	S	Bend	trans	80.8	14.9	-177.6	0	0	0	0	0	113.5	E120 D149 F154	E120-G152 WeakPolarHBondContact CB-O 3.44Å; E120-G152 PolarHBondContact N-O 3.4Å; D149-G152 PolarHBondContact O-N 3.29Å; D149-G152 PolarHBondContact OD1-N 3.26Å; G152-F154 PolarHBondContact O-N 3.5Å
153	N	94.9	Very high	90.7	Very high	43 Å²	43	69.2 Å²	69.2	23%	0.23	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	111.3	177.1	-56.8	-54.3	0	0	0	110	V117 I148 D149	V117-N153 HydrophobicContact CB-CB 4.14Å; V117-N153 HydrophobicContact CG1-CB 4.35Å; V117-N153 HydrophobicContact CG2-CB 4.38Å; I148-N153 WeakPolarHBondContact CA-O 3.42Å; D149-N153 PolarHBondContact N-O 3.33Å; D149-N153 WeakPolarHBondContact OD1-CB 3.43Å; D149-N153 PolarHBondContact OD1-N 2.92Å; D149-N153 PolarHBondContact OD1-ND2 3.25Å; D149-N153 PolarHBondContact OD2-ND2 3Å
154	F	95.4	Very high	90.2	Very high	1 Å²	1	70.6 Å²	70.6	0%	0.004	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	114	171.6	173	-99	0	0	0	110.4	F107 V117 I118 L123 A146 I148 G152 Y156 F159	F107-F154 HydrophobicContact CD1-CE1 4.31Å; F107-F154 AromaticContact CE1-CE1 3.92Å; F107-F154 HydrophobicContact CE1-CE1 3.92Å; F107-F154 HydrophobicContact CE1-CZ 4.48Å; F107-F154 HydrophobicContact CZ-CE1 4.18Å; F107-F154 HydrophobicContact CZ-CZ 4.37Å; V117-F154 CarbonylContact C-O 3.55Å; V117-F154 VanDerWaalsContact CA-O 3.22Å; V117-F154 WeakPolarHBondContact CA-O 3.21Å; I118-F154 PolarHBondContact N-O 3.27Å; I118-F154 WeakPolarHBondContact O-CA 3.38Å; I118-F154 VanDerWaalsContact O-CB 3.31Å; I118-F154 WeakPolarHBondContact O-CB 3.47Å; I118-F154 PolarHBondContact O-N 3.48Å; L123-F154 HydrophobicContact CD2-CB 4.36Å; L123-F154 HydrophobicContact CD2-CD1 3.54Å; L123-F154 HydrophobicContact CD2-CD2 4.17Å; L123-F154 HydrophobicContact CD2-CE1 3.68Å; L123-F154 HydrophobicContact CD2-CE2 4.3Å; L123-F154 HydrophobicContact CD2-CG 3.78Å; L123-F154 HydrophobicContact CD2-CZ 4.06Å; A146-F154 HydrophobicContact CB-CD2 3.88Å; A146-F154 HydrophobicContact CB-CE2 3.68Å; I148-F154 HydrophobicContact CD1-CD2 4.24Å; I148-F154 HydrophobicContact CG1-CB 4.07Å; I148-F154 HydrophobicContact CG1-CD2 3.8Å; I148-F154 HydrophobicContact CG1-CG 4.44Å; G152-F154 PolarHBondContact O-N 3.5Å; F154-Y156 PolarHBondContact O-N 3.36Å; F154-F159 HydrophobicContact CE1-CB 4.3Å; F154-F159 HydrophobicContact CE1-CD1 4.47Å; F154-F159 HydrophobicContact CE1-CG 4.4Å; F154-F159 HydrophobicContact CE2-CB 3.98Å; F154-F159 HydrophobicContact CE2-CD1 4.37Å; F154-F159 AromaticContact CE2-CD2 3.77Å; F154-F159 HydrophobicContact CE2-CD2 3.77Å; F154-F159 HydrophobicContact CE2-CE2 4.36Å; F154-F159 AromaticContact CE2-CG 3.78Å; F154-F159 HydrophobicContact CE2-CG 3.78Å; F154-F159 HydrophobicContact CZ-CB 3.58Å; F154-F159 AromaticContact CZ-CD1 3.59Å; F154-F159 HydrophobicContact CZ-CD1 3.59Å; F154-F159 AromaticContact CZ-CD2 3.83Å; F154-F159 HydrophobicContact CZ-CD2 3.83Å; F154-F159 HydrophobicContact CZ-CE1 4.21Å; F154-F159 HydrophobicContact CZ-CE2 4.42Å; F154-F159 AromaticContact CZ-CG 3.37Å; F154-F159 HydrophobicContact CZ-CG 3.37Å
155	N	95.3	Very high	89.8	Confident	60 Å²	60	68.1 Å²	68.1	32%	0.321	33%	0.331	S	S	.	.			trans	-83.5	91.4	177	-173	-35.2	0	0	0	110.8	V117 P147 V157 A158 F159	V117-N155 HydrophobicContact CG1-CB 4.28Å; P147-N155 HydrophobicContact CB-CB 4.37Å; P147-N155 HydrophobicContact CG-CB 4.31Å; P147-N155 VanDerWaalsContact CG-O 3.28Å; P147-N155 WeakPolarHBondContact CG-O 3.47Å; P147-N155 PolarHBondContact O-N 2.78Å; N155-V157 PolarHBondContact O-N 3.29Å; N155-V157 WeakPolarHBondContact OD1-CB 3.36Å; N155-V157 PolarHBondContact OD1-N 2.9Å; N155-A158 HydrophobicContact CB-CB 4.12Å; N155-A158 PolarHBondContact O-N 3.04Å; N155-A158 PolarHBondContact OD1-N 2.97Å; N155-F159 WeakPolarHBondContact O-CB 3.44Å; N155-F159 PolarHBondContact O-N 2.95Å
156	Y	93.8	Very high	89.3	Confident	12 Å²	12	61.8 Å²	61.8	5%	0.047	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-26.5	-177.4	66.5	-96.8	0	0	0	112.7	R104 F107 D111 G116 I118 F154 F159 T160	R104-Y156 HydrophobicContact CG-CD2 4.06Å; R104-Y156 HydrophobicContact CG-CE2 3.79Å; F107-Y156 HydrophobicContact CB-CD1 4.17Å; F107-Y156 HydrophobicContact CB-CD2 3.46Å; F107-Y156 VanDerWaalsContact CB-CD2 3.46Å; F107-Y156 HydrophobicContact CB-CE2 4.01Å; F107-Y156 HydrophobicContact CB-CG 3.55Å; F107-Y156 HydrophobicContact CG-CD2 4.23Å; F107-Y156 HydrophobicContact CG-CG 4.07Å; D111-Y156 HydrophobicContact CB-CE1 4Å; D111-Y156 WeakPolarHBondContact OD2-CE1 3.41Å; D111-Y156 PolarHBondContact OD2-OH 3.29Å; D111-Y156 VanDerWaalsContact OD2-OH 3.11Å; G116-Y156 VanDerWaalsContact C-CD1 3.49Å; G116-Y156 VanDerWaalsContact CA-CE1 3.42Å; G116-Y156 WeakPolarHBondContact O-CD1 3.45Å; G116-Y156 WeakPolarHBondContact O-CE1 3.45Å; I118-Y156 HydrophobicContact CD1-CD1 3.89Å; I118-Y156 HydrophobicContact CD1-CE1 4.36Å; I118-Y156 HydrophobicContact CG1-CD1 3.87Å; I118-Y156 HydrophobicContact CG1-CE1 4.17Å; F154-Y156 PolarHBondContact O-N 3.36Å; Y156-F159 PolarHBondContact O-N 3.06Å; Y156-T160 VanDerWaalsContact O-CG2 3.29Å; Y156-T160 WeakPolarHBondContact O-CG2 3.42Å; Y156-T160 PolarHBondContact O-N 2.78Å; Y156-T160 PolarHBondContact O-OG1 3.39Å
157	V	92.5	Very high	88.2	Confident	58 Å²	58	64.6 Å²	64.6	35%	0.352	34%	0.336	S	S	.	.	H	α-helix	trans	-67	-43.5	176.1	-177.6	0	0	0	0	111.2	R104 N155 T160 R161	R104-V157 HydrophobicContact CG-CG2 4.44Å; N155-V157 PolarHBondContact O-N 3.29Å; N155-V157 WeakPolarHBondContact OD1-CB 3.36Å; N155-V157 PolarHBondContact OD1-N 2.9Å; V157-T160 PolarHBondContact O-OG1 3.26Å; V157-T160 VanDerWaalsContact O-OG1 3.07Å; V157-R161 PolarHBondContact O-N 3.47Å
158	A	91.4	Very high	86.5	Confident	33 Å²	33	70.9 Å²	70.9	27%	0.273	36%	0.36	S	S	.	.	H	α-helix	trans	-67.8	-40.5	173.8	0	0	0	0	0	110.7	P147 N155 R161 I162	P147-A158 HydrophobicContact CB-CB 4.01Å; P147-A158 HydrophobicContact CG-CB 3.83Å; N155-A158 HydrophobicContact CB-CB 4.12Å; N155-A158 PolarHBondContact O-N 3.04Å; N155-A158 PolarHBondContact OD1-N 2.97Å; A158-R161 WeakPolarHBondContact O-CB 3.44Å; A158-R161 PolarHBondContact O-N 3.29Å; A158-I162 VanDerWaalsContact O-CG1 3.28Å; A158-I162 WeakPolarHBondContact O-CG1 3.4Å; A158-I162 PolarHBondContact O-N 2.84Å
159	F	91.3	Very high	84.3	Confident	27 Å²	27	75.5 Å²	75.5	12%	0.118	39%	0.385	C	S	.	.	H	α-helix	trans	-62.1	-46.8	179.2	-178.7	-100.6	0	0	0	112.1	F107 L142 A146 P147 F154 N155 Y156 R161 I162 L163	F107-F159 HydrophobicContact CE2-CD1 4.19Å; F107-F159 HydrophobicContact CE2-CE1 4.44Å; F107-F159 HydrophobicContact CZ-CD1 4.31Å; F107-F159 HydrophobicContact CZ-CE1 4.34Å; L142-F159 HydrophobicContact CD1-CE2 4.12Å; L142-F159 HydrophobicContact CD1-CZ 3.74Å; A146-F159 HydrophobicContact CB-CD2 4.38Å; P147-F159 HydrophobicContact CG-CB 3.86Å; F154-F159 HydrophobicContact CE1-CB 4.3Å; F154-F159 HydrophobicContact CE1-CD1 4.47Å; F154-F159 HydrophobicContact CE1-CG 4.4Å; F154-F159 HydrophobicContact CE2-CB 3.98Å; F154-F159 HydrophobicContact CE2-CD1 4.37Å; F154-F159 AromaticContact CE2-CD2 3.77Å; F154-F159 HydrophobicContact CE2-CD2 3.77Å; F154-F159 HydrophobicContact CE2-CE2 4.36Å; F154-F159 AromaticContact CE2-CG 3.78Å; F154-F159 HydrophobicContact CE2-CG 3.78Å; F154-F159 HydrophobicContact CZ-CB 3.58Å; F154-F159 AromaticContact CZ-CD1 3.59Å; F154-F159 HydrophobicContact CZ-CD1 3.59Å; F154-F159 AromaticContact CZ-CD2 3.83Å; F154-F159 HydrophobicContact CZ-CD2 3.83Å; F154-F159 HydrophobicContact CZ-CE1 4.21Å; F154-F159 HydrophobicContact CZ-CE2 4.42Å; F154-F159 AromaticContact CZ-CG 3.37Å; F154-F159 HydrophobicContact CZ-CG 3.37Å; N155-F159 WeakPolarHBondContact O-CB 3.44Å; N155-F159 PolarHBondContact O-N 2.95Å; Y156-F159 PolarHBondContact O-N 3.06Å; F159-R161 PolarHBondContact O-N 3.42Å; F159-I162 PolarHBondContact O-N 3Å; F159-I162 VanDerWaalsContact O-N 3.16Å; F159-L163 HydrophobicContact CE1-CD2 4.25Å; F159-L163 WeakPolarHBondContact O-CB 3.33Å; F159-L163 PolarHBondContact O-N 3.44Å
160	T	88.8	Confident	82	Confident	0 Å²	0	81.2 Å²	81.2	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-61.3	-36.9	178.2	55.2	0	0	0	0	112	I103 R104 F107 Y156 V157 L163 K164	I103-T160 HydrophobicContact CB-CG2 3.91Å; I103-T160 HydrophobicContact CG2-CG2 3.5Å; R104-T160 HydrophobicContact CB-CG2 4.27Å; F107-T160 HydrophobicContact CD2-CG2 4.15Å; F107-T160 HydrophobicContact CE2-CG2 4.34Å; Y156-T160 VanDerWaalsContact O-CG2 3.29Å; Y156-T160 WeakPolarHBondContact O-CG2 3.42Å; Y156-T160 PolarHBondContact O-N 2.78Å; Y156-T160 PolarHBondContact O-OG1 3.39Å; V157-T160 PolarHBondContact O-OG1 3.26Å; V157-T160 VanDerWaalsContact O-OG1 3.07Å; T160-L163 PolarHBondContact O-N 3.08Å; T160-K164 WeakPolarHBondContact O-CG 3.35Å; T160-K164 PolarHBondContact O-N 2.89Å
161	R	85.8	Confident	79.5	Confident	132 Å²	132	77.7 Å²	77.7	50%	0.498	40%	0.398	S	S	.	.	H	α-helix	trans	-65.6	-45.7	175.1	-172.1	-176.2	-178.3	174.5	6.7	111.8	V157 A158 F159 L163 K164 H165	V157-R161 PolarHBondContact O-N 3.47Å; A158-R161 WeakPolarHBondContact O-CB 3.44Å; A158-R161 PolarHBondContact O-N 3.29Å; F159-R161 PolarHBondContact O-N 3.42Å; R161-L163 VanDerWaalsContact C-N 3.31Å; R161-L163 PolarHBondContact O-N 3.44Å; R161-K164 PolarHBondContact O-N 2.98Å; R161-H165 WeakPolarHBondContact O-CB 3.37Å; R161-H165 PolarHBondContact O-CD2 3.17Å; R161-H165 PolarHBondContact O-N 2.91Å
162	I	86.6	Confident	76.9	Confident	62 Å²	62	80.7 Å²	80.7	32%	0.318	42%	0.422	S	S	.	.	H	α-helix	trans	-62	-42.3	177.1	-67.6	163	0	0	0	110.2	P147 A158 F159 K164 G166 A167	P147-I162 HydrophobicContact CG-CD1 4.36Å; A158-I162 VanDerWaalsContact O-CG1 3.28Å; A158-I162 WeakPolarHBondContact O-CG1 3.4Å; A158-I162 PolarHBondContact O-N 2.84Å; F159-I162 PolarHBondContact O-N 3Å; F159-I162 VanDerWaalsContact O-N 3.16Å; I162-K164 VanDerWaalsContact C-N 3.33Å; I162-K164 PolarHBondContact O-N 2.95Å; I162-G166 CarbonylContact O-C 3.4Å; I162-G166 WeakPolarHBondContact O-CA 3.29Å; I162-G166 PolarHBondContact O-N 2.97Å; I162-A167 HydrophobicContact CG2-CB 4.35Å
163	L	82.9	Confident	76.1	Confident	84 Å²	84	84.5 Å²	84.5	44%	0.44	44%	0.44	S	S	.	.	H	α-helix	trans	-63.4	-36.9	179.2	-171.4	68.2	0	0	0	112.5	I103 F159 T160 R161	I103-L163 HydrophobicContact CD1-CD2 4.1Å; F159-L163 HydrophobicContact CE1-CD2 4.25Å; F159-L163 WeakPolarHBondContact O-CB 3.33Å; F159-L163 PolarHBondContact O-N 3.44Å; T160-L163 PolarHBondContact O-N 3.08Å; R161-L163 VanDerWaalsContact C-N 3.31Å; R161-L163 PolarHBondContact O-N 3.44Å
164	K	80.1	Confident	75.1	Confident	49 Å²	49	86.6 Å²	86.6	21%	0.213	45%	0.451	C	S	.	.	H	α-helix	trans	-88.3	-30.6	-178.2	-68.3	-59	-60.7	-167	0	114.5	T97 D98 E100 I103 T160 R161 I162	T97-K164 PolarHBondContact O-NZ 2.97Å; T97-K164 VanDerWaalsContact O-NZ 3.13Å; T97-K164 PolarHBondContact OG1-NZ 3.04Å; D98-K164 PolarHBondContact O-NZ 3.13Å; E100-K164 HydrophobicContact CB-CG 4.05Å; E100-K164 HydrophobicContact CG-CG 4.42Å; I103-K164 HydrophobicContact CD1-CD 4.15Å; T160-K164 WeakPolarHBondContact O-CG 3.35Å; T160-K164 PolarHBondContact O-N 2.89Å; R161-K164 PolarHBondContact O-N 2.98Å; I162-K164 VanDerWaalsContact C-N 3.33Å; I162-K164 PolarHBondContact O-N 2.95Å
165	H	80.3	Confident	73.9	Confident	134 Å²	134	91.4 Å²	91.4	62%	0.62	48%	0.476	S	S	*	.	H	α-helix	trans	-123.8	0.1	-170.8	-52.2	-73.7	0	0	0	113.9	E100 R161	E100-H165 IonicContact OE2-CD2 2.91Å; E100-H165 IonicContact OE2-NE2 2.91Å; E100-H165 PolarHBondContact OE2-NE2 3.23Å; R161-H165 WeakPolarHBondContact O-CB 3.37Å; R161-H165 PolarHBondContact O-CD2 3.17Å; R161-H165 PolarHBondContact O-N 2.91Å
166	G	71.9	Confident	72.7	Confident	41 Å²	41	93.2 Å²	93.2	42%	0.423	49%	0.485	S	S	.	.			trans	79.7	165.9	-171.6	0	0	0	0	0	113.2	I162 K168	I162-G166 CarbonylContact O-C 3.4Å; I162-G166 WeakPolarHBondContact O-CA 3.29Å; I162-G166 PolarHBondContact O-N 2.97Å; G166-K168 PolarHBondContact O-N 3.06Å
167	A	66.3	Low	71.4	Confident	73 Å²	73	98.3 Å²	98.3	60%	0.603	51%	0.513	S	S	*	.			trans	-66.9	122.8	170.4	0	0	0	0	0	108.7	I162 D169	I162-A167 HydrophobicContact CG2-CB 4.35Å; A167-D169 PolarHBondContact O-N 3.16Å
168	K	56.7	Low	70	Confident	167 Å²	167	101 Å²	101	73%	0.726	52%	0.523	S	S	*	.			trans	-69.7	113.9	163.4	-85.9	-169.3	172.1	-168.4	0	107.2	G166 K170	G166-K168 PolarHBondContact O-N 3.06Å; K168-K170 PolarHBondContact O-N 3.22Å; K168-K170 VanDerWaalsContact O-N 3.13Å
169	D	48.7	Very low	68.4	Low	139 Å²	139	105.9 Å²	105.9	74%	0.743	54%	0.541	S	S	*	.			trans	-51.4	121.4	161.9	-71	-41.2	0	0	0	107.4	A167 D171	A167-D169 PolarHBondContact O-N 3.16Å; D169-D171 PolarHBondContact O-N 3.48Å
170	K	43.5	Very low	66.7	Low	194 Å²	194	111.9 Å²	111.9	84%	0.843	57%	0.574	S	S	*	*			trans	-75.2	71.5	169.4	-75.8	-174.3	176.9	179.4	0	107.8	K168 D172	K168-K170 PolarHBondContact O-N 3.22Å; K168-K170 VanDerWaalsContact O-N 3.13Å; K170-D172 VanDerWaalsContact C-N 3.35Å; K170-D172 PolarHBondContact O-N 3.44Å
171	D	38.6	Very low	64.8	Low	149 Å²	149	121.3 Å²	121.3	80%	0.797	62%	0.622	S	S	*	*			trans	-88.3	86	157.8	-71.8	-30.6	0	0	0	106.9	D169	D169-D171 PolarHBondContact O-N 3.48Å
172	D	36.7	Very low	62.9	Low	231 Å²	231	120.3 Å²	120.3	100%	1.235	63%	0.633	S	S	*	*			trans	-87	0	156.6	-81.7	-38.2	0	0	0	109.2	K170	K170-D172 VanDerWaalsContact C-N 3.35Å; K170-D172 PolarHBondContact O-N 3.44Å

Retrieved 172 of 172 residues in 200.6 ms (Link to these results)

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