A0A060XXW8_ONCMY Loading...

Ras-related protein Rab-3

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between an inactive GDP-bound form and an active GTP-bound form that is able to recruit to membranes different sets of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion. RAB3D may be involved in the insulin-induced exocytosis of GLUT4-containing vesicles in adipocytes.

AlphaFold DB , UniProt , Accession A0A060XXW8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene rab3a, Length 223 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.2	Very low	40.1	Very low	253 Å²	253	153.5 Å²	153.5	100%	1.246	82%	0.819	S	S	*	*				0	123.4	0	-66.1	174.8	176.3	0	0	106.4
2	A	34.9	Very low	40.3	Very low	99 Å²	99	154.8 Å²	154.8	82%	0.818	82%	0.817	S	S	*	*			cis	-151.1	154.1	-4.1	0	0	0	0	0	107
3	S	39.4	Very low	40.3	Very low	100 Å²	100	152.6 Å²	152.6	70%	0.699	82%	0.817	S	S	*	*			trans	-56.8	144.3	172.5	176.8	0	0	0	0	112.8
4	V	40	Very low	40.8	Very low	142 Å²	142	146.8 Å²	146.8	86%	0.861	80%	0.8	S	S	*	*			trans	-143.1	111.5	142.4	-171.5	0	0	0	0	108.9
5	N	41.1	Very low	41.1	Very low	130 Å²	130	149.8 Å²	149.8	70%	0.695	81%	0.807	S	S	*	*			trans	-56.6	134.9	162.9	-81.1	-21.5	0	0	0	110.3
6	D	41	Very low	41.3	Very low	154 Å²	154	150.6 Å²	150.6	82%	0.824	80%	0.801	S	S	*	*			trans	-115.8	104.8	153.7	-146.5	-27.6	0	0	0	109.6
7	S	42.8	Very low	41.7	Very low	86 Å²	86	149 Å²	149	60%	0.601	79%	0.792	S	S	*	*			trans	-123.1	95.8	176.7	-46.6	0	0	0	0	105.9
8	R	38.5	Very low	42	Very low	225 Å²	225	144.9 Å²	144.9	85%	0.849	78%	0.783	S	S	*	*			trans	163.8	123.7	168.9	-96.1	150	-173.8	-176.3	1.8	106.5
9	L	41.6	Very low	42.5	Very low	140 Å²	140	140.7 Å²	140.7	73%	0.733	77%	0.77	S	S	*	*			cis	-150.5	122	20.6	-71.8	123.7	0	0	0	107.8	Q11	L9-Q11 VanDerWaalsContact C-N 3.32Å; L9-Q11 HydrophobicContact CB-CG 4.39Å; L9-Q11 PolarHBondContact O-N 3.44Å; L9-Q11 VanDerWaalsContact O-N 3.1Å
10	Q	41.8	Very low	43.2	Very low	189 Å²	189	137.7 Å²	137.7	88%	0.883	75%	0.753	S	S	*	*			trans	-69.9	97.6	152.8	-77.9	173.9	-1.4	0	0	106.5	Q12	Q10-Q12 PolarHBondContact O-N 3.46Å; Q10-Q12 VanDerWaalsContact O-N 3.12Å
11	Q	43.8	Very low	43.9	Very low	170 Å²	170	138.5 Å²	138.5	79%	0.794	75%	0.751	S	S	*	*			trans	-71.9	100.4	165	-75.5	177.7	12.1	0	0	107.3	L9	L9-Q11 VanDerWaalsContact C-N 3.32Å; L9-Q11 HydrophobicContact CB-CG 4.39Å; L9-Q11 PolarHBondContact O-N 3.44Å; L9-Q11 VanDerWaalsContact O-N 3.1Å
12	Q	42.6	Very low	46.1	Very low	170 Å²	170	131.8 Å²	131.8	79%	0.794	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-59.3	130.6	163.4	-80.7	171.4	12.3	0	0	108.3	Q10 A14	Q10-Q12 PolarHBondContact O-N 3.46Å; Q10-Q12 VanDerWaalsContact O-N 3.12Å; Q12-A14 PolarHBondContact O-N 3.37Å
13	P	40.5	Very low	48.5	Very low	126 Å²	126	130 Å²	130	82%	0.818	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-60.2	137.2	169.5	23.8	-29.4	0	0	0	109.1	Q15	P13-Q15 PolarHBondContact O-N 3.31Å
14	A	47.4	Very low	50.9	Low	71 Å²	71	128.9 Å²	128.9	59%	0.587	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-46.4	132	-170.1	0	0	0	0	0	113.1	Q12 K16	Q12-A14 PolarHBondContact O-N 3.37Å; A14-K16 HydrophobicContact CB-CB 4.2Å; A14-K16 PolarHBondContact O-N 3.13Å
15	Q	44.3	Very low	53.4	Low	192 Å²	192	125.6 Å²	125.6	90%	0.897	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	44.4	168.8	-150.5	172.7	38.9	0	0	111.3	P13	P13-Q15 PolarHBondContact O-N 3.31Å
16	K	44.6	Very low	55.9	Low	163 Å²	163	123 Å²	123	71%	0.709	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	-18.6	-177.6	-131.2	178.5	-179.6	-176.3	0	112.4	A14	A14-K16 HydrophobicContact CB-CB 4.2Å; A14-K16 PolarHBondContact O-N 3.13Å
17	D	47.8	Very low	58.5	Low	123 Å²	123	115.7 Å²	115.7	66%	0.658	60%	0.599	S	S	*	*	S	Bend	trans	-92.4	-21.8	-171.5	-60.8	-36	0	0	0	114.8
18	A	48.2	Very low	61	Low	75 Å²	75	113.4 Å²	113.4	62%	0.62	58%	0.578	S	S	*	*	H	α-helix	trans	-76.1	-33.5	-176.7	0	0	0	0	0	113.2	D20	A18-D20 VanDerWaalsContact C-N 3.26Å; A18-D20 PolarHBondContact O-N 3.43Å
19	A	50.5	Low	63.8	Low	65 Å²	65	102.8 Å²	102.8	54%	0.537	54%	0.538	S	S	.	.	H	α-helix	trans	-71.4	-24.4	178	0	0	0	0	0	112.4	R74	A19-R74 PolarHBondContact O-NH1 3.36Å
20	D	56.3	Low	66.3	Low	80 Å²	80	96.2 Å²	96.2	43%	0.428	50%	0.503	S	S	.	.	H	α-helix	trans	-79.3	-17.7	-177.4	-113.9	-32.5	0	0	0	113.7	A18 K76	A18-D20 VanDerWaalsContact C-N 3.26Å; A18-D20 PolarHBondContact O-N 3.43Å; D20-K76 PolarHBondContact O-NZ 2.97Å; D20-K76 WeakPolarHBondContact OD1-CE 3.4Å; D20-K76 IonicContact OD1-NZ 3.74Å; D20-K76 PolarHBondContact OD1-NZ 3.43Å
21	Q	59.8	Low	68.8	Low	155 Å²	155	87.2 Å²	87.2	72%	0.724	46%	0.461	S	S	*	.	H	α-helix	trans	-94.5	-16.3	176.8	-66.6	-69	5.6	0	0	113.8	F23	Q21-F23 PolarHBondContact O-N 3.21Å
22	N	80.8	Confident	71.2	Confident	112 Å²	112	79.1 Å²	79.1	60%	0.599	42%	0.423	S	S	*	.			trans	-95.7	78.8	-178.6	-167	34.6	0	0	0	110.4	R74	N22-R74 WeakPolarHBondContact O-CD 3.34Å; N22-R74 PolarHBondContact O-NE 3.01Å; N22-R74 PolarHBondContact O-NH1 3.5Å
23	F	85.3	Confident	73.5	Confident	63 Å²	63	71 Å²	71	28%	0.276	39%	0.386	S	S	.	.			trans	-125.9	147.9	171	61.9	-91.3	0	0	0	110	Q21 Y25 M26 R74 K76	Q21-F23 PolarHBondContact O-N 3.21Å; F23-Y25 WeakPolarHBondContact CD2-O 3.27Å; F23-M26 HydrophobicContact CD2-CB 4.32Å; F23-M26 HydrophobicContact CE1-CE 4.04Å; F23-M26 HydrophobicContact CE2-CB 3.78Å; F23-M26 HydrophobicContact CE2-CE 3.83Å; F23-M26 HydrophobicContact CZ-CE 3.4Å; F23-R74 HydrophobicContact CB-CG 4.48Å; F23-K76 HydrophobicContact CB-CB 4.28Å; F23-K76 HydrophobicContact CD1-CB 4.4Å; F23-K76 HydrophobicContact CD1-CD 4.1Å; F23-K76 HydrophobicContact CD2-CB 4.26Å; F23-K76 HydrophobicContact CE1-CD 4.22Å; F23-K76 HydrophobicContact CG-CB 4.04Å
24	D	90.7	Very high	75.9	Confident	75 Å²	75	66.8 Å²	66.8	40%	0.401	36%	0.356	S	S	.	.	S	Bend	trans	-81.4	-40	179.3	-63	-95.2	0	0	0	111.7	K73 R74	D24-K73 HydrophobicContact CB-CB 4.14Å; D24-K73 HydrophobicContact CB-CD 3.71Å; D24-K73 WeakPolarHBondContact OD1-CD 3.4Å; D24-K73 IonicContact OD1-NZ 2.9Å; D24-K73 PolarHBondContact OD1-NZ 3.33Å; D24-K73 WeakPolarHBondContact OD2-CA 3.48Å; D24-R74 PolarHBondContact N-O 2.9Å; D24-R74 PolarHBondContact OD2-N 3.21Å
25	Y	92.9	Very high	77.9	Confident	74 Å²	74	65.3 Å²	65.3	29%	0.29	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150.5	-176.3	-58.4	-71.3	0	0	0	111.8	F23 F27 K73 R74 I75 K76 M195	F23-Y25 WeakPolarHBondContact CD2-O 3.27Å; Y25-F27 HydrophobicContact CG-CE1 4.25Å; Y25-K73 HydrophobicContact CD2-CB 4.15Å; Y25-K73 HydrophobicContact CD2-CG 4.45Å; Y25-K73 HydrophobicContact CE2-CB 4.09Å; Y25-K73 HydrophobicContact CE2-CD 4Å; Y25-K73 HydrophobicContact CE2-CG 3.88Å; Y25-R74 PolarHBondContact N-O 3.48Å; Y25-I75 HydrophobicContact CD2-CG1 4.36Å; Y25-I75 CarbonylContact O-C 3.56Å; Y25-I75 WeakPolarHBondContact O-CA 3.46Å; Y25-K76 PolarHBondContact O-N 3.26Å; Y25-M195 HydrophobicContact CE1-CE 4.47Å
26	M	93.9	Very high	80.1	Confident	74 Å²	74	58.8 Å²	58.8	37%	0.365	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	120.2	171.7	-178.8	179.5	-63.7	0	0	109.5	F23 K76 Q78	F23-M26 HydrophobicContact CD2-CB 4.32Å; F23-M26 HydrophobicContact CE1-CE 4.04Å; F23-M26 HydrophobicContact CE2-CB 3.78Å; F23-M26 HydrophobicContact CE2-CE 3.83Å; F23-M26 HydrophobicContact CZ-CE 3.4Å; M26-K76 CarbonylContact C-O 3.59Å; M26-K76 VanDerWaalsContact CA-O 3.26Å; M26-K76 WeakPolarHBondContact CA-O 3.43Å; M26-K76 HydrophobicContact CE-CD 4.1Å; M26-Q78 HydrophobicContact CG-CG 4.16Å; M26-Q78 HydrophobicContact SD-CG 4.08Å; M26-Q78 PolarHBondContact SD-NE2 3.03Å; M26-Q78 VanDerWaalsContact SD-NE2 3.39Å
27	F	95.8	Very high	82.4	Confident	2 Å²	2	51 Å²	51	1%	0.009	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.2	178.3	-62.5	-5.6	0	0	0	109.8	Y25 L29 I75 K76 L77 Q78 M100 V184 I187 M191	Y25-F27 HydrophobicContact CG-CE1 4.25Å; F27-L29 HydrophobicContact CB-CD2 4.17Å; F27-I75 HydrophobicContact CB-CG2 4.46Å; F27-I75 HydrophobicContact CD1-CG2 3.96Å; F27-I75 HydrophobicContact CD2-CG2 3.65Å; F27-I75 HydrophobicContact CE1-CG2 3.99Å; F27-I75 HydrophobicContact CE2-CD1 3.95Å; F27-I75 HydrophobicContact CE2-CG2 3.75Å; F27-I75 HydrophobicContact CG-CG2 3.75Å; F27-I75 HydrophobicContact CZ-CD1 3.93Å; F27-I75 HydrophobicContact CZ-CG2 3.9Å; F27-K76 PolarHBondContact N-O 3.49Å; F27-L77 HydrophobicContact CB-CD2 3.91Å; F27-L77 HydrophobicContact CD2-CD2 4.02Å; F27-L77 HydrophobicContact CG-CD2 4.3Å; F27-L77 WeakPolarHBondContact O-CA 3.4Å; F27-Q78 PolarHBondContact O-N 3.43Å; F27-M100 HydrophobicContact CB-SD 4.23Å; F27-M100 HydrophobicContact CD1-CE 4.35Å; F27-M100 HydrophobicContact CD1-SD 3.65Å; F27-M100 HydrophobicContact CE1-SD 4.43Å; F27-M100 HydrophobicContact CG-SD 4.17Å; F27-V184 HydrophobicContact CD2-CG1 4.3Å; F27-V184 HydrophobicContact CD2-CG2 4.44Å; F27-V184 HydrophobicContact CE2-CG1 3.93Å; F27-I187 HydrophobicContact CD1-CG2 4.29Å; F27-I187 HydrophobicContact CD2-CB 4.27Å; F27-I187 HydrophobicContact CD2-CD1 4.28Å; F27-I187 HydrophobicContact CD2-CG2 3.73Å; F27-I187 HydrophobicContact CE1-CG2 4.16Å; F27-I187 HydrophobicContact CE2-CB 4.02Å; F27-I187 HydrophobicContact CE2-CG2 3.51Å; F27-I187 HydrophobicContact CG-CG2 4.14Å; F27-I187 HydrophobicContact CZ-CG2 3.77Å; F27-M191 HydrophobicContact CD1-CE 3.88Å; F27-M191 HydrophobicContact CE1-CE 3.13Å; F27-M191 HydrophobicContact CE1-SD 4.23Å; F27-M191 HydrophobicContact CE2-CE 4.27Å; F27-M191 HydrophobicContact CZ-CE 3.36Å
28	K	95.1	Very high	84.6	Confident	38 Å²	38	45.9 Å²	45.9	17%	0.165	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	115.1	170	179.7	174.7	171.8	-173.1	0	109	L30 Y95 R97 A99 M100 G101	K28-L30 HydrophobicContact CD-CD1 4.48Å; K28-L30 HydrophobicContact CG-CD1 3.97Å; K28-Y95 WeakPolarHBondContact CE-O 3.49Å; K28-Y95 PolarHBondContact NZ-O 3.39Å; K28-R97 PolarHBondContact NZ-O 3.03Å; K28-A99 HydrophobicContact CG-CB 4.49Å; K28-A99 CarbonylContact O-C 3.56Å; K28-M100 PolarHBondContact O-N 3.39Å; K28-G101 PolarHBondContact O-N 3.33Å
29	L	96.1	Very high	86.8	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	139.4	179.7	-51.7	-175.7	0	0	0	110	F27 L77 Q78 I79 W80 G101 F180 L183 I187	F27-L29 HydrophobicContact CB-CD2 4.17Å; L29-L77 HydrophobicContact CD1-CB 4.41Å; L29-L77 HydrophobicContact CD1-CD1 4.33Å; L29-L77 HydrophobicContact CD1-CD2 4.26Å; L29-Q78 PolarHBondContact N-O 2.82Å; L29-I79 HydrophobicContact CB-CG1 4.4Å; L29-I79 HydrophobicContact CB-CG2 4.47Å; L29-I79 HydrophobicContact CD1-CG1 4.28Å; L29-I79 WeakPolarHBondContact O-CA 3.38Å; L29-W80 PolarHBondContact O-N 2.81Å; L29-G101 CarbonylContact C-O 3.56Å; L29-G101 VanDerWaalsContact CA-O 3.32Å; L29-G101 WeakPolarHBondContact CA-O 3.39Å; L29-F180 HydrophobicContact CD1-CD1 4.36Å; L29-L183 HydrophobicContact CD1-CD2 4.18Å; L29-L183 HydrophobicContact CD2-CD2 3.98Å; L29-L183 HydrophobicContact CD2-CG 4.34Å; L29-I187 HydrophobicContact CD2-CD1 3.52Å
30	L	94.6	Very high	88.8	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.8	176.3	-89.4	63.3	0	0	0	110.5	K28 I32 W80 Y95 A99 G101 F102 L103	K28-L30 HydrophobicContact CD-CD1 4.48Å; K28-L30 HydrophobicContact CG-CD1 3.97Å; L30-I32 HydrophobicContact CB-CG2 4.32Å; L30-W80 HydrophobicContact CD1-CB 3.99Å; L30-W80 HydrophobicContact CD1-CG 4.05Å; L30-W80 HydrophobicContact CG-CB 4.03Å; L30-Y95 WeakPolarHBondContact CD2-O 3.48Å; L30-A99 HydrophobicContact CD1-CB 3.57Å; L30-A99 HydrophobicContact CD2-CB 4.2Å; L30-A99 HydrophobicContact CG-CB 4.36Å; L30-G101 PolarHBondContact N-O 2.8Å; L30-F102 HydrophobicContact CB-CD1 3.8Å; L30-F102 HydrophobicContact CB-CE1 3.94Å; L30-F102 HydrophobicContact CD2-CD1 4.41Å; L30-F102 HydrophobicContact CD2-CE1 3.73Å; L30-F102 HydrophobicContact CD2-CZ 4.45Å; L30-F102 HydrophobicContact CG-CE1 4.42Å; L30-F102 CarbonylContact O-C 3.59Å; L30-F102 WeakPolarHBondContact O-CA 3.5Å; L30-L103 PolarHBondContact O-N 3.01Å
31	I	94.8	Very high	90.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.1	167.7	-45.5	-178.3	0	0	0	107.9	K39 L43 I79 W80 T82 L103 M105 F180	I31-K39 HydrophobicContact CB-CB 4.41Å; I31-K39 HydrophobicContact CG2-CB 3.7Å; I31-K39 HydrophobicContact CG2-CD 3.99Å; I31-K39 HydrophobicContact CG2-CG 3.73Å; I31-L43 HydrophobicContact CD1-CB 3.95Å; I31-I79 HydrophobicContact CD1-CG2 3.99Å; I31-I79 HydrophobicContact CG1-CG2 4.02Å; I31-W80 PolarHBondContact N-O 2.95Å; I31-T82 WeakPolarHBondContact O-CG2 3.43Å; I31-T82 PolarHBondContact O-OG1 2.9Å; I31-L103 WeakPolarHBondContact CA-O 3.25Å; I31-L103 HydrophobicContact CG1-CB 4.39Å; I31-L103 HydrophobicContact CG1-CD1 4.32Å; I31-L103 HydrophobicContact CG2-CB 4.19Å; I31-M105 HydrophobicContact CG2-CE 3.67Å; I31-F180 HydrophobicContact CD1-CZ 4.05Å
32	I	92.8	Very high	92.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	158.4	-177.6	69	164.2	0	0	0	111.5	L30 T82 Y96 F102 L103 L104 M105 W120 I124	L30-I32 HydrophobicContact CB-CG2 4.32Å; I32-T82 HydrophobicContact CG2-CG2 4.38Å; I32-Y96 HydrophobicContact CD1-CE2 4.41Å; I32-F102 HydrophobicContact CD1-CD1 4.39Å; I32-F102 HydrophobicContact CG2-CD1 4.41Å; I32-L103 PolarHBondContact N-O 3.44Å; I32-L104 HydrophobicContact CD1-CD1 4.04Å; I32-L104 HydrophobicContact CG1-CB 4.32Å; I32-L104 HydrophobicContact CG1-CD1 3.87Å; I32-M105 PolarHBondContact O-N 3.2Å; I32-W120 HydrophobicContact CD1-CB 4.12Å; I32-W120 HydrophobicContact CD1-CE3 4.35Å; I32-I124 HydrophobicContact CD1-CD1 3.37Å; I32-I124 HydrophobicContact CD1-CG1 3.49Å; I32-I124 VanDerWaalsContact CD1-CG1 3.49Å; I32-I124 HydrophobicContact CG1-CD1 4.36Å
33	G	92.5	Very high	93	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.144	C	C	.	.			trans	143.6	170.8	-175.6	0	0	0	0	0	111.3	K39 M105	G33-K39 PolarHBondContact O-NZ 3.46Å; G33-M105 WeakPolarHBondContact CA-O 3.38Å
34	N	90.6	Very high	93.4	Very high	37 Å²	37	26.5 Å²	26.5	20%	0.198	15%	0.145	C	C	.	.	S	Bend	trans	-59.7	165.3	-176.4	-78	10.1	0	0	0	113.3	V37 K39 A116 W120	N34-V37 HydrophobicContact CB-CG1 3.98Å; N34-V37 VanDerWaalsContact O-CG2 3.31Å; N34-V37 WeakPolarHBondContact O-CG2 3.18Å; N34-K39 PolarHBondContact O-NZ 2.86Å; N34-A116 WeakPolarHBondContact OD1-CB 3.22Å; N34-W120 PolarHBondContact OD1-NE1 2.78Å
35	S	88.4	Confident	93.7	Very high	40 Å²	40	24.8 Å²	24.8	28%	0.28	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	145.6	164.3	-74.2	0	0	0	0	111.4	V37 G84 E86	S35-V37 PolarHBondContact O-N 2.88Å; S35-V37 VanDerWaalsContact O-N 3.11Å; S35-G84 PolarHBondContact N-O 3.5Å; S35-G84 PolarHBondContact OG-O 2.83Å; S35-E86 PolarHBondContact OG-OE2 2.99Å
36	S	89.9	Confident	93.8	Very high	55 Å²	55	22.1 Å²	22.1	39%	0.385	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	2.2	173.3	74.1	0	0	0	0	118.8	G38 K140	S36-G38 PolarHBondContact O-N 3.3Å; S36-K140 WeakPolarHBondContact O-CE 3.23Å; S36-K140 PolarHBondContact O-NZ 3.48Å
37	V	94	Very high	93.8	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	11%	0.114	C	C	.	.	S	Bend	trans	-69.7	-13.6	176.6	-54.4	0	0	0	0	114.1	N34 S35 K39 M105 D107 N139	N34-V37 HydrophobicContact CB-CG1 3.98Å; N34-V37 VanDerWaalsContact O-CG2 3.31Å; N34-V37 WeakPolarHBondContact O-CG2 3.18Å; S35-V37 PolarHBondContact O-N 2.88Å; S35-V37 VanDerWaalsContact O-N 3.11Å; V37-K39 HydrophobicContact CG2-CD 4.3Å; V37-K39 HydrophobicContact CG2-CG 3.64Å; V37-M105 HydrophobicContact CG2-CB 4.13Å; V37-M105 HydrophobicContact CG2-CG 4.08Å; V37-M105 HydrophobicContact CG2-SD 4.15Å; V37-D107 HydrophobicContact CB-CB 4.25Å; V37-D107 HydrophobicContact CG1-CB 4.21Å; V37-N139 PolarHBondContact O-ND2 2.87Å
38	G	94	Very high	93.6	Very high	15 Å²	15	23.4 Å²	23.4	16%	0.155	13%	0.134	C	C	.	.	S	Bend	trans	103.9	16.1	173.6	0	0	0	0	0	116.3	S36 T40 S41 F42	S36-G38 PolarHBondContact O-N 3.3Å; G38-T40 PolarHBondContact O-N 3.41Å; G38-S41 PolarHBondContact O-N 2.97Å; G38-F42 WeakPolarHBondContact O-CB 3.4Å; G38-F42 PolarHBondContact O-N 3.07Å
39	K	94.3	Very high	93.4	Very high	9 Å²	9	26.6 Å²	26.6	4%	0.039	15%	0.153	C	C	.	.	H	α-helix	trans	-49.4	-53.1	179.7	-56.2	-172.6	-63.9	-76.1	0	113.9	I31 G33 N34 V37 F42 L43 D81 T82 M105	I31-K39 HydrophobicContact CB-CB 4.41Å; I31-K39 HydrophobicContact CG2-CB 3.7Å; I31-K39 HydrophobicContact CG2-CD 3.99Å; I31-K39 HydrophobicContact CG2-CG 3.73Å; G33-K39 PolarHBondContact O-NZ 3.46Å; N34-K39 PolarHBondContact O-NZ 2.86Å; V37-K39 HydrophobicContact CG2-CD 4.3Å; V37-K39 HydrophobicContact CG2-CG 3.64Å; K39-F42 WeakPolarHBondContact O-CB 3.08Å; K39-F42 PolarHBondContact O-N 3.22Å; K39-L43 PolarHBondContact O-N 3.28Å; K39-D81 VanDerWaalsContact CB-OD1 3.28Å; K39-D81 WeakPolarHBondContact CB-OD1 3.31Å; K39-T82 WeakPolarHBondContact CE-O 3.48Å; K39-M105 HydrophobicContact CG-SD 4.16Å
40	T	92.9	Very high	93.1	Very high	32 Å²	32	28.7 Å²	28.7	20%	0.196	17%	0.168	C	C	.	.	H	α-helix	trans	-62	-46.7	179.9	-49.5	0	0	0	0	112	G38 F42 L43 F44 T58 D81	G38-T40 PolarHBondContact O-N 3.41Å; T40-F42 VanDerWaalsContact C-N 3.29Å; T40-F42 PolarHBondContact O-N 3.41Å; T40-L43 PolarHBondContact O-N 2.96Å; T40-F44 HydrophobicContact CG2-CD2 3.88Å; T40-F44 HydrophobicContact CG2-CE2 3.46Å; T40-F44 VanDerWaalsContact CG2-CE2 3.46Å; T40-F44 HydrophobicContact CG2-CZ 4.19Å; T40-F44 WeakPolarHBondContact O-CD2 3.16Å; T40-F44 PolarHBondContact O-N 3.19Å; T40-T58 PolarHBondContact OG1-OG1 3.13Å; T40-D81 WeakPolarHBondContact CA-OD2 3.49Å; T40-D81 VanDerWaalsContact CB-OD2 3.23Å; T40-D81 WeakPolarHBondContact CB-OD2 3.41Å; T40-D81 WeakPolarHBondContact CG2-OD2 3.39Å; T40-D81 PolarHBondContact N-OD1 2.84Å; T40-D81 PolarHBondContact OG1-OD1 2.88Å; T40-D81 PolarHBondContact OG1-OD2 3.23Å
41	S	94.3	Very high	92.9	Very high	34 Å²	34	31.8 Å²	31.8	24%	0.238	18%	0.181	C	C	.	.	H	α-helix	trans	-63.2	-36.4	176.8	-53.4	0	0	0	0	112	G38 F44 R45	G38-S41 PolarHBondContact O-N 2.97Å; S41-F44 PolarHBondContact O-N 3.45Å; S41-R45 VanDerWaalsContact O-CB 3.29Å; S41-R45 WeakPolarHBondContact O-CB 3.3Å; S41-R45 PolarHBondContact O-N 2.96Å
42	F	96	Very high	92.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.9	-42.8	176.2	-158.8	-94.5	0	0	0	111.5	G38 K39 T40 R45 Y46 L103 M105 V137 A168 A170 V176 V179 F180	G38-F42 WeakPolarHBondContact O-CB 3.4Å; G38-F42 PolarHBondContact O-N 3.07Å; K39-F42 WeakPolarHBondContact O-CB 3.08Å; K39-F42 PolarHBondContact O-N 3.22Å; T40-F42 VanDerWaalsContact C-N 3.29Å; T40-F42 PolarHBondContact O-N 3.41Å; F42-R45 PolarHBondContact O-N 3.41Å; F42-Y46 WeakPolarHBondContact O-CB 3.46Å; F42-Y46 PolarHBondContact O-N 2.99Å; F42-L103 HydrophobicContact CE1-CD1 4.23Å; F42-M105 HydrophobicContact CB-CE 3.74Å; F42-M105 HydrophobicContact CB-SD 4.44Å; F42-M105 HydrophobicContact CD1-CE 3.85Å; F42-M105 HydrophobicContact CD2-CE 4.12Å; F42-M105 HydrophobicContact CE1-CE 4.48Å; F42-M105 HydrophobicContact CG-CE 3.65Å; F42-V137 HydrophobicContact CE2-CG1 4.4Å; F42-V137 HydrophobicContact CZ-CG1 4.35Å; F42-A168 HydrophobicContact CE2-CB 3.59Å; F42-A168 HydrophobicContact CZ-CB 4.03Å; F42-A170 HydrophobicContact CB-CB 4.34Å; F42-A170 HydrophobicContact CD2-CB 4.11Å; F42-V176 HydrophobicContact CD1-CG1 4.33Å; F42-V176 HydrophobicContact CD2-CG2 4.16Å; F42-V176 HydrophobicContact CE1-CG1 4.08Å; F42-V176 HydrophobicContact CE2-CB 4.26Å; F42-V176 HydrophobicContact CE2-CG1 4.29Å; F42-V176 HydrophobicContact CE2-CG2 3.72Å; F42-V176 HydrophobicContact CZ-CB 4.18Å; F42-V176 HydrophobicContact CZ-CG1 4.06Å; F42-V176 HydrophobicContact CZ-CG2 4.14Å; F42-V179 HydrophobicContact CE1-CB 4.5Å; F42-V179 HydrophobicContact CE1-CG1 4.26Å; F42-V179 HydrophobicContact CZ-CB 4.26Å; F42-V179 HydrophobicContact CZ-CG1 4.35Å; F42-V179 HydrophobicContact CZ-CG2 4.42Å; F42-F180 AromaticContact CD1-CE2 3.58Å; F42-F180 HydrophobicContact CD1-CE2 3.58Å; F42-F180 HydrophobicContact CD1-CZ 4.01Å; F42-F180 HydrophobicContact CE1-CD2 4.1Å; F42-F180 AromaticContact CE1-CE2 3.44Å; F42-F180 HydrophobicContact CE1-CE2 3.44Å; F42-F180 VanDerWaalsContact CE1-CE2 3.44Å; F42-F180 HydrophobicContact CE1-CZ 4.15Å
43	L	95.2	Very high	91.7	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.016	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-48	174	178.7	56.7	0	0	0	111.5	I31 K39 T40 R45 Y46 A47 K64 I79 D81	I31-L43 HydrophobicContact CD1-CB 3.95Å; K39-L43 PolarHBondContact O-N 3.28Å; T40-L43 PolarHBondContact O-N 2.96Å; L43-R45 VanDerWaalsContact C-N 3.33Å; L43-R45 PolarHBondContact O-N 3.14Å; L43-Y46 PolarHBondContact O-N 3.43Å; L43-A47 VanDerWaalsContact O-CB 3.29Å; L43-A47 WeakPolarHBondContact O-CB 3.18Å; L43-A47 PolarHBondContact O-N 2.75Å; L43-K64 HydrophobicContact CD1-CB 4.12Å; L43-K64 HydrophobicContact CD1-CG 4.47Å; L43-K64 HydrophobicContact CD2-CB 4.14Å; L43-K64 HydrophobicContact CD2-CG 3.97Å; L43-K64 HydrophobicContact CG-CB 4.36Å; L43-K64 HydrophobicContact CG-CG 4.2Å; L43-I79 HydrophobicContact CD1-CB 3.81Å; L43-I79 HydrophobicContact CD1-CD1 4.05Å; L43-I79 HydrophobicContact CD1-CG2 3.58Å; L43-D81 HydrophobicContact CD2-CB 3.65Å
44	F	93.6	Very high	90.9	Very high	65 Å²	65	44.7 Å²	44.7	29%	0.285	27%	0.268	S	S	.	.	H	α-helix	trans	-65.7	-36.8	179.3	-73.1	-39.9	0	0	0	112.8	T40 S41 Y46 D48 D49 S50	T40-F44 HydrophobicContact CG2-CD2 3.88Å; T40-F44 HydrophobicContact CG2-CE2 3.46Å; T40-F44 VanDerWaalsContact CG2-CE2 3.46Å; T40-F44 HydrophobicContact CG2-CZ 4.19Å; T40-F44 WeakPolarHBondContact O-CD2 3.16Å; T40-F44 PolarHBondContact O-N 3.19Å; S41-F44 PolarHBondContact O-N 3.45Å; F44-Y46 VanDerWaalsContact C-N 3.33Å; F44-Y46 PolarHBondContact O-N 2.99Å; F44-D48 WeakPolarHBondContact O-CA 3.38Å; F44-D48 PolarHBondContact O-N 3Å; F44-D49 PolarHBondContact O-N 3.48Å; F44-S50 CarbonylContact C-O 3.39Å; F44-S50 PolarHBondContact O-N 2.81Å
45	R	95.9	Very high	89.8	Confident	38 Å²	38	49.9 Å²	49.9	14%	0.143	29%	0.29	C	S	.	.	H	α-helix	trans	-61	-45.7	172.5	176.9	56.4	74.3	-171.1	6.1	110.7	S41 F42 L43 D49 S50 A170 K171 N173 V176	S41-R45 VanDerWaalsContact O-CB 3.29Å; S41-R45 WeakPolarHBondContact O-CB 3.3Å; S41-R45 PolarHBondContact O-N 2.96Å; F42-R45 PolarHBondContact O-N 3.41Å; L43-R45 VanDerWaalsContact C-N 3.33Å; L43-R45 PolarHBondContact O-N 3.14Å; R45-D49 WeakPolarHBondContact CD-OD1 3.23Å; R45-D49 IonicContact CZ-OD1 3.71Å; R45-D49 VanDerWaalsContact NH1-C 3.35Å; R45-D49 PolarHBondContact NH1-O 2.72Å; R45-D49 IonicContact NH1-OD1 3.22Å; R45-D49 PolarHBondContact NH1-OD1 3.18Å; R45-D49 VanDerWaalsContact O-CA 3.25Å; R45-D49 WeakPolarHBondContact O-CA 3.46Å; R45-D49 PolarHBondContact O-N 2.7Å; R45-S50 WeakPolarHBondContact CA-O 3.45Å; R45-S50 PolarHBondContact N-O 2.84Å; R45-A170 HydrophobicContact CB-CB 4.49Å; R45-A170 WeakPolarHBondContact CG-O 3.25Å; R45-A170 PolarHBondContact NE-O 3.46Å; R45-K171 PolarHBondContact NH2-O 2.81Å; R45-N173 WeakPolarHBondContact CD-OD1 3.45Å; R45-N173 HydrophobicContact CG-CB 4.41Å; R45-N173 WeakPolarHBondContact CG-OD1 3.43Å; R45-V176 HydrophobicContact CB-CG1 4.28Å; R45-V176 HydrophobicContact CG-CB 4.19Å; R45-V176 HydrophobicContact CG-CG1 3.93Å; R45-V176 HydrophobicContact CG-CG2 3.86Å
46	Y	96.1	Very high	89.1	Confident	19 Å²	19	53.5 Å²	53.5	8%	0.075	31%	0.31	C	S	.	.	H	α-helix	trans	-67.7	-45.7	178.5	177.6	-114.2	0	0	0	113.2	F42 L43 F44 K66 V68 L77 I79 F180	F42-Y46 WeakPolarHBondContact O-CB 3.46Å; F42-Y46 PolarHBondContact O-N 2.99Å; L43-Y46 PolarHBondContact O-N 3.43Å; F44-Y46 VanDerWaalsContact C-N 3.33Å; F44-Y46 PolarHBondContact O-N 2.99Å; Y46-K66 HydrophobicContact CD1-CD 4.14Å; Y46-K66 HydrophobicContact CE1-CB 4.44Å; Y46-K66 HydrophobicContact CE1-CD 3.64Å; Y46-K66 HydrophobicContact CE1-CG 4.29Å; Y46-K66 PolarHBondContact O-NZ 3.41Å; Y46-V68 WeakPolarHBondContact OH-CG1 3.39Å; Y46-L77 HydrophobicContact CE1-CD1 4.4Å; Y46-I79 HydrophobicContact CD1-CD1 3.72Å; Y46-I79 HydrophobicContact CE1-CD1 3.55Å; Y46-F180 HydrophobicContact CD1-CD1 4.02Å; Y46-F180 AromaticContact CD1-CD2 3.69Å; Y46-F180 HydrophobicContact CD1-CD2 3.69Å; Y46-F180 HydrophobicContact CD1-CE1 4.1Å; Y46-F180 AromaticContact CD1-CE2 3.78Å; Y46-F180 HydrophobicContact CD1-CE2 3.78Å; Y46-F180 AromaticContact CD1-CG 3.83Å; Y46-F180 HydrophobicContact CD1-CG 3.83Å; Y46-F180 AromaticContact CD1-CZ 3.99Å; Y46-F180 HydrophobicContact CD1-CZ 3.99Å; Y46-F180 HydrophobicContact CD2-CB 4.05Å; Y46-F180 AromaticContact CD2-CD2 3.39Å; Y46-F180 HydrophobicContact CD2-CD2 3.39Å; Y46-F180 HydrophobicContact CD2-CE2 4.03Å; Y46-F180 AromaticContact CD2-CG 3.87Å; Y46-F180 HydrophobicContact CD2-CG 3.87Å; Y46-F180 HydrophobicContact CE1-CB 4.11Å; Y46-F180 AromaticContact CE1-CD1 3.95Å; Y46-F180 HydrophobicContact CE1-CD1 3.95Å; Y46-F180 HydrophobicContact CE1-CD2 4.12Å; Y46-F180 HydrophobicContact CE1-CE1 4.4Å; Y46-F180 AromaticContact CE1-CG 3.8Å; Y46-F180 HydrophobicContact CE1-CG 3.8Å; Y46-F180 HydrophobicContact CE2-CB 3.6Å; Y46-F180 AromaticContact CE2-CD2 3.87Å; Y46-F180 HydrophobicContact CE2-CD2 3.87Å; Y46-F180 AromaticContact CE2-CG 3.86Å; Y46-F180 HydrophobicContact CE2-CG 3.86Å; Y46-F180 HydrophobicContact CG-CB 4.49Å; Y46-F180 HydrophobicContact CG-CD1 4.46Å; Y46-F180 AromaticContact CG-CD2 3.28Å; Y46-F180 HydrophobicContact CG-CD2 3.28Å; Y46-F180 AromaticContact CG-CE2 3.45Å; Y46-F180 HydrophobicContact CG-CE2 3.45Å; Y46-F180 VanDerWaalsContact CG-CE2 3.45Å; Y46-F180 AromaticContact CG-CG 3.85Å; Y46-F180 HydrophobicContact CG-CG 3.85Å; Y46-F180 HydrophobicContact CG-CZ 4.12Å; Y46-F180 AromaticContact CZ-CG 3.81Å
47	A	92.6	Very high	88.4	Confident	22 Å²	22	54.5 Å²	54.5	18%	0.182	32%	0.317	C	S	.	.	H	α-helix	trans	-77.1	-48.2	-171.5	0	0	0	0	0	112.1	L43 K64 K66	L43-A47 VanDerWaalsContact O-CB 3.29Å; L43-A47 WeakPolarHBondContact O-CB 3.18Å; L43-A47 PolarHBondContact O-N 2.75Å; A47-K64 HydrophobicContact CB-CB 4.41Å; A47-K64 HydrophobicContact CB-CD 4.29Å; A47-K64 HydrophobicContact CB-CG 4.33Å; A47-K66 PolarHBondContact O-NZ 3.1Å
48	D	91.2	Very high	87.3	Confident	80 Å²	80	56.3 Å²	56.3	43%	0.428	33%	0.328	S	S	.	.	H	α-helix	trans	-118.4	2.2	-164.8	-54.4	-34.3	0	0	0	113	F44 S50 K64	F44-D48 WeakPolarHBondContact O-CA 3.38Å; F44-D48 PolarHBondContact O-N 3Å; D48-S50 PolarHBondContact O-N 2.84Å; D48-K64 IonicContact OD1-NZ 2.87Å; D48-K64 PolarHBondContact OD1-NZ 3.46Å; D48-K64 IonicContact OD2-NZ 3.89Å; D48-K64 PolarHBondContact OD2-NZ 2.76Å
49	D	91.9	Very high	86.2	Confident	106 Å²	106	62.4 Å²	62.4	57%	0.567	36%	0.362	S	S	*	.	S	Bend	trans	49.3	38.6	-172.1	-163.2	22.1	0	0	0	113.3	F44 R45	F44-D49 PolarHBondContact O-N 3.48Å; R45-D49 WeakPolarHBondContact CD-OD1 3.23Å; R45-D49 IonicContact CZ-OD1 3.71Å; R45-D49 VanDerWaalsContact NH1-C 3.35Å; R45-D49 PolarHBondContact NH1-O 2.72Å; R45-D49 IonicContact NH1-OD1 3.22Å; R45-D49 PolarHBondContact NH1-OD1 3.18Å; R45-D49 VanDerWaalsContact O-CA 3.25Å; R45-D49 WeakPolarHBondContact O-CA 3.46Å; R45-D49 PolarHBondContact O-N 2.7Å
50	S	89.8	Confident	85.1	Confident	46 Å²	46	64 Å²	64	32%	0.322	38%	0.381	S	S	.	.			trans	-120.8	147.5	-177	73.7	0	0	0	0	111.7	F44 R45 D48	F44-S50 CarbonylContact C-O 3.39Å; F44-S50 PolarHBondContact O-N 2.81Å; R45-S50 WeakPolarHBondContact CA-O 3.45Å; R45-S50 PolarHBondContact N-O 2.84Å; D48-S50 PolarHBondContact O-N 2.84Å
51	F	90.2	Very high	84.4	Confident	65 Å²	65	64.6 Å²	64.6	29%	0.285	38%	0.382	S	S	.	.			trans	-141.8	131.8	173.5	177.3	-93.2	0	0	0	109.8	P53 A170 K171	F51-P53 HydrophobicContact CE1-CB 4.06Å; F51-A170 HydrophobicContact CD2-CB 4.25Å; F51-A170 HydrophobicContact CE2-CB 4.33Å; F51-K171 HydrophobicContact CD1-CB 4.45Å; F51-K171 HydrophobicContact CD1-CG 4.21Å; F51-K171 HydrophobicContact CD2-CB 4.32Å; F51-K171 HydrophobicContact CE1-CB 4.02Å; F51-K171 HydrophobicContact CE1-CD 4.3Å; F51-K171 HydrophobicContact CE1-CG 3.74Å; F51-K171 HydrophobicContact CE2-CB 3.87Å; F51-K171 HydrophobicContact CZ-CB 3.7Å; F51-K171 HydrophobicContact CZ-CD 4.35Å; F51-K171 HydrophobicContact CZ-CG 3.91Å
52	T	85.8	Confident	83.8	Confident	91 Å²	91	66.5 Å²	66.5	56%	0.558	39%	0.39	S	S	*	.			trans	-119.8	123.2	175.1	-59	0	0	0	0	108.4	A54	T52-A54 HydrophobicContact CG2-CB 3.83Å; T52-A54 PolarHBondContact O-N 3.36Å
53	P	76.1	Confident	83.3	Confident	117 Å²	117	71.4 Å²	71.4	76%	0.76	41%	0.411	S	S	*	.			trans	-73.3	-15.7	179.7	27.7	-33.3	0	0	0	113.1	F51 F55	F51-P53 HydrophobicContact CE1-CB 4.06Å; P53-F55 PolarHBondContact O-N 3.33Å
54	A	75.6	Confident	83.2	Confident	63 Å²	63	74 Å²	74	52%	0.521	42%	0.422	S	S	.	.	S	Bend	trans	-64.2	120	177.3	0	0	0	0	0	110.4	T52 V56	T52-A54 HydrophobicContact CG2-CB 3.83Å; T52-A54 PolarHBondContact O-N 3.36Å; A54-V56 PolarHBondContact O-N 3.18Å; A54-V56 VanDerWaalsContact O-N 3.13Å
55	F	68.5	Low	83.2	Confident	147 Å²	147	74 Å²	74	65%	0.645	43%	0.428	S	S	*	.			trans	-72.4	106	171.1	-178	-100.2	0	0	0	109.3	P53	P53-F55 PolarHBondContact O-N 3.33Å
56	V	73.5	Confident	83.1	Confident	116 Å²	116	75.3 Å²	75.3	70%	0.703	44%	0.435	S	S	*	.			trans	-112.3	119	169.8	-176.9	0	0	0	0	107.3	A54 T58	A54-V56 PolarHBondContact O-N 3.18Å; A54-V56 VanDerWaalsContact O-N 3.13Å; V56-T58 PolarHBondContact O-N 3.05Å
57	S	75.1	Confident	83	Confident	75 Å²	75	77.1 Å²	77.1	52%	0.524	45%	0.447	S	S	.	.			trans	-60.5	122	175.8	-65.3	0	0	0	0	110.2	V59	S57-V59 PolarHBondContact O-N 3.44Å
58	T	71.4	Confident	83.1	Confident	39 Å²	39	77 Å²	77	24%	0.239	44%	0.444	C	S	.	.			trans	-64.8	119.7	174.7	-43.3	0	0	0	0	109.4	T40 V56 A83	T40-T58 PolarHBondContact OG1-OG1 3.13Å; V56-T58 PolarHBondContact O-N 3.05Å; T58-A83 HydrophobicContact CG2-CB 4.46Å; T58-A83 VanDerWaalsContact O-CB 3.32Å; T58-A83 WeakPolarHBondContact O-CB 3.26Å
59	V	70.7	Confident	83.1	Confident	143 Å²	143	79 Å²	79	87%	0.867	45%	0.45	S	S	*	.			trans	-95.9	114.2	174.6	-179	0	0	0	0	108	S57	S57-V59 PolarHBondContact O-N 3.44Å
60	G	71	Confident	82.9	Confident	43 Å²	43	76.8 Å²	76.8	44%	0.443	43%	0.433	S	S	.	.	S	Bend	trans	78.8	-153.5	179.7	0	0	0	0	0	113.6	A83	G60-A83 WeakPolarHBondContact O-CB 3.48Å; G60-A83 PolarHBondContact O-N 2.82Å; G60-A83 VanDerWaalsContact O-N 3.16Å
61	I	77.4	Confident	82.7	Confident	45 Å²	45	80.5 Å²	80.5	23%	0.231	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.8	-177.7	-68.9	168.6	0	0	0	107.2	W80 D81 I91 Y95	I61-W80 HydrophobicContact CG2-CE3 3.65Å; I61-W80 HydrophobicContact CG2-CZ3 4.27Å; I61-D81 WeakPolarHBondContact CA-O 3.31Å; I61-D81 WeakPolarHBondContact CG2-O 3.26Å; I61-I91 HydrophobicContact CD1-CG2 4.47Å; I61-Y95 HydrophobicContact CD1-CD1 4.26Å; I61-Y95 HydrophobicContact CD1-CD2 3.37Å; I61-Y95 HydrophobicContact CD1-CE1 4.05Å; I61-Y95 HydrophobicContact CD1-CE2 3.13Å; I61-Y95 HydrophobicContact CD1-CG 3.95Å; I61-Y95 VanDerWaalsContact CD1-CZ 3.48Å; I61-Y95 HydrophobicContact CG2-CD1 4.41Å; I61-Y95 HydrophobicContact CG2-CE1 4.15Å
62	D	82.9	Confident	82.6	Confident	74 Å²	74	86.9 Å²	86.9	40%	0.396	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	157	174.6	-164.2	10.1	0	0	0	109.5	D81	D62-D81 PolarHBondContact N-O 2.79Å; D62-D81 VanDerWaalsContact N-O 3.14Å; D62-D81 PolarHBondContact O-N 3.46Å
63	F	85.5	Confident	82.8	Confident	102 Å²	102	86.5 Å²	86.5	45%	0.447	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	142.9	174.5	79.9	-83	0	0	0	112.1	V65 I79 W80	F63-V65 HydrophobicContact CD2-CG2 4.03Å; F63-V65 HydrophobicContact CE2-CG2 3.85Å; F63-I79 CarbonylContact C-O 3.52Å; F63-I79 VanDerWaalsContact CA-O 3.23Å; F63-I79 WeakPolarHBondContact CA-O 3.3Å; F63-W80 HydrophobicContact CB-CD2 4.02Å; F63-W80 HydrophobicContact CB-CE3 3.97Å; F63-W80 HydrophobicContact CB-CG 4.42Å; F63-W80 HydrophobicContact CB-CZ3 4.33Å; F63-W80 HydrophobicContact CD1-CZ3 4.42Å
64	K	91.6	Very high	83.6	Confident	58 Å²	58	84.1 Å²	84.1	25%	0.252	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	145.6	173	-76.2	-85.4	-177.4	156.3	0	109.8	L43 A47 D48 I79	L43-K64 HydrophobicContact CD1-CB 4.12Å; L43-K64 HydrophobicContact CD1-CG 4.47Å; L43-K64 HydrophobicContact CD2-CB 4.14Å; L43-K64 HydrophobicContact CD2-CG 3.97Å; L43-K64 HydrophobicContact CG-CB 4.36Å; L43-K64 HydrophobicContact CG-CG 4.2Å; A47-K64 HydrophobicContact CB-CB 4.41Å; A47-K64 HydrophobicContact CB-CD 4.29Å; A47-K64 HydrophobicContact CB-CG 4.33Å; D48-K64 IonicContact OD1-NZ 2.87Å; D48-K64 PolarHBondContact OD1-NZ 3.46Å; D48-K64 IonicContact OD2-NZ 3.89Å; D48-K64 PolarHBondContact OD2-NZ 2.76Å; K64-I79 PolarHBondContact N-O 2.68Å; K64-I79 PolarHBondContact O-N 3.05Å
65	V	93.8	Very high	84.6	Confident	65 Å²	65	81.2 Å²	81.2	39%	0.394	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.5	173.4	-176.9	0	0	0	0	109	F63 K76 L77 Q78	F63-V65 HydrophobicContact CD2-CG2 4.03Å; F63-V65 HydrophobicContact CE2-CG2 3.85Å; V65-K76 HydrophobicContact CG1-CD 3.75Å; V65-K76 HydrophobicContact CG1-CG 3.48Å; V65-K76 VanDerWaalsContact CG1-CG 3.48Å; V65-L77 CarbonylContact C-O 3.5Å; V65-L77 VanDerWaalsContact CA-O 3.27Å; V65-L77 WeakPolarHBondContact CA-O 3.44Å; V65-Q78 HydrophobicContact CG2-CG 4.4Å
66	K	93.8	Very high	85.9	Confident	66 Å²	66	75.4 Å²	75.4	29%	0.287	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	127.7	176.4	-176.6	151.2	178.8	158.5	0	110.1	Y46 A47 V68 L77	Y46-K66 HydrophobicContact CD1-CD 4.14Å; Y46-K66 HydrophobicContact CE1-CB 4.44Å; Y46-K66 HydrophobicContact CE1-CD 3.64Å; Y46-K66 HydrophobicContact CE1-CG 4.29Å; Y46-K66 PolarHBondContact O-NZ 3.41Å; A47-K66 PolarHBondContact O-NZ 3.1Å; K66-V68 HydrophobicContact CG-CG1 4.44Å; K66-L77 PolarHBondContact N-O 3.31Å; K66-L77 WeakPolarHBondContact O-CA 3.3Å; K66-L77 VanDerWaalsContact O-CB 3.29Å; K66-L77 WeakPolarHBondContact O-CB 3.47Å; K66-L77 WeakPolarHBondContact O-CG 3.47Å; K66-L77 PolarHBondContact O-N 3.46Å
67	T	94.3	Very high	87	Confident	56 Å²	56	69.9 Å²	69.9	34%	0.344	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	127.7	176.9	-59.9	0	0	0	0	109.7	R74 I75	T67-R74 HydrophobicContact CG2-CG 3.3Å; T67-I75 CarbonylContact C-O 3.54Å; T67-I75 WeakPolarHBondContact CA-O 3.49Å
68	V	94.5	Very high	87.9	Confident	20 Å²	20	68.7 Å²	68.7	12%	0.121	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	157.8	175.5	-58.2	0	0	0	0	110.2	Y46 K66 I75 L77 V184	Y46-V68 WeakPolarHBondContact OH-CG1 3.39Å; K66-V68 HydrophobicContact CG-CG1 4.44Å; V68-I75 HydrophobicContact CG2-CB 3.92Å; V68-I75 HydrophobicContact CG2-CG2 4.48Å; V68-I75 PolarHBondContact N-O 3.12Å; V68-I75 PolarHBondContact O-N 3.35Å; V68-L77 HydrophobicContact CG1-CD1 3.75Å; V68-L77 HydrophobicContact CG1-CG 4.34Å; V68-L77 HydrophobicContact CG2-CD1 4Å; V68-L77 HydrophobicContact CG2-CD2 4.14Å; V68-L77 HydrophobicContact CG2-CG 4.02Å; V68-V184 HydrophobicContact CG2-CG1 4.36Å
69	F	91.6	Very high	89.1	Confident	123 Å²	123	66.9 Å²	66.9	54%	0.539	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.5	175.9	-70	-92.1	0	0	0	109.7	K73 R74	F69-K73 WeakPolarHBondContact CA-O 3.26Å; F69-R74 HydrophobicContact CD1-CB 4.15Å; F69-R74 HydrophobicContact CD1-CG 4.3Å; F69-R74 HydrophobicContact CE1-CB 3.85Å; F69-R74 HydrophobicContact CE1-CG 3.78Å; F69-R74 HydrophobicContact CZ-CB 4.49Å; F69-R74 HydrophobicContact CZ-CG 3.92Å
70	R	88.4	Confident	90.1	Very high	59 Å²	59	62.4 Å²	62.4	22%	0.223	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	133	178.5	-73.1	-64.4	-179.3	-96	12.6	110.1	E72 K73 I75 E181 V184 D185	R70-E72 PolarHBondContact O-N 3.42Å; R70-K73 PolarHBondContact N-O 3.49Å; R70-K73 WeakPolarHBondContact O-CA 3.29Å; R70-K73 VanDerWaalsContact O-CB 3.27Å; R70-K73 WeakPolarHBondContact O-CB 3.48Å; R70-K73 PolarHBondContact O-N 2.96Å; R70-I75 HydrophobicContact CB-CD1 3.85Å; R70-I75 HydrophobicContact CG-CD1 4.33Å; R70-E181 IonicContact CZ-OE1 2.79Å; R70-E181 IonicContact NH1-OE1 2.8Å; R70-E181 IonicContact NH2-OE1 3.82Å; R70-E181 PolarHBondContact NH2-OE1 3.41Å; R70-E181 IonicContact NH2-OE2 3.76Å; R70-V184 HydrophobicContact CG-CG1 3.89Å; R70-D185 WeakPolarHBondContact CD-OD1 3.32Å; R70-D185 IonicContact NE-OD1 2.72Å; R70-D185 PolarHBondContact NE-OD1 2.66Å
71	N	86	Confident	91	Very high	124 Å²	124	60.4 Å²	60.4	66%	0.663	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	44.1	179.5	-56.2	-26.3	0	0	0	113	K73	N71-K73 PolarHBondContact O-N 2.85Å
72	E	87.1	Confident	91.3	Very high	199 Å²	199	58.5 Å²	58.5	93%	0.93	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	8.6	-175.4	-51.1	-174.7	145.1	0	0	115.4	R70	R70-E72 PolarHBondContact O-N 3.42Å
73	K	90.3	Very high	90.7	Very high	82 Å²	82	55.9 Å²	55.9	36%	0.357	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	138.4	177.4	-61.1	-69.6	-174.9	-173.4	0	110.7	D24 Y25 F69 R70 N71	D24-K73 HydrophobicContact CB-CB 4.14Å; D24-K73 HydrophobicContact CB-CD 3.71Å; D24-K73 WeakPolarHBondContact OD1-CD 3.4Å; D24-K73 IonicContact OD1-NZ 2.9Å; D24-K73 PolarHBondContact OD1-NZ 3.33Å; D24-K73 WeakPolarHBondContact OD2-CA 3.48Å; Y25-K73 HydrophobicContact CD2-CB 4.15Å; Y25-K73 HydrophobicContact CD2-CG 4.45Å; Y25-K73 HydrophobicContact CE2-CB 4.09Å; Y25-K73 HydrophobicContact CE2-CD 4Å; Y25-K73 HydrophobicContact CE2-CG 3.88Å; F69-K73 WeakPolarHBondContact CA-O 3.26Å; R70-K73 PolarHBondContact N-O 3.49Å; R70-K73 WeakPolarHBondContact O-CA 3.29Å; R70-K73 VanDerWaalsContact O-CB 3.27Å; R70-K73 WeakPolarHBondContact O-CB 3.48Å; R70-K73 PolarHBondContact O-N 2.96Å; N71-K73 PolarHBondContact O-N 2.85Å
74	R	93.6	Very high	89.4	Confident	68 Å²	68	51.5 Å²	51.5	26%	0.257	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	115	173.3	-169.2	-175	-59.2	-173.7	-8.4	109	A19 N22 F23 D24 Y25 T67 F69	A19-R74 PolarHBondContact O-NH1 3.36Å; N22-R74 WeakPolarHBondContact O-CD 3.34Å; N22-R74 PolarHBondContact O-NE 3.01Å; N22-R74 PolarHBondContact O-NH1 3.5Å; F23-R74 HydrophobicContact CB-CG 4.48Å; D24-R74 PolarHBondContact N-O 2.9Å; D24-R74 PolarHBondContact OD2-N 3.21Å; Y25-R74 PolarHBondContact N-O 3.48Å; T67-R74 HydrophobicContact CG2-CG 3.3Å; F69-R74 HydrophobicContact CD1-CB 4.15Å; F69-R74 HydrophobicContact CD1-CG 4.3Å; F69-R74 HydrophobicContact CE1-CB 3.85Å; F69-R74 HydrophobicContact CE1-CG 3.78Å; F69-R74 HydrophobicContact CZ-CB 4.49Å; F69-R74 HydrophobicContact CZ-CG 3.92Å
75	I	95.4	Very high	87.7	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.1	-175.8	-52.1	179.1	0	0	0	108.9	Y25 F27 T67 V68 R70 L77 V184	Y25-I75 HydrophobicContact CD2-CG1 4.36Å; Y25-I75 CarbonylContact O-C 3.56Å; Y25-I75 WeakPolarHBondContact O-CA 3.46Å; F27-I75 HydrophobicContact CB-CG2 4.46Å; F27-I75 HydrophobicContact CD1-CG2 3.96Å; F27-I75 HydrophobicContact CD2-CG2 3.65Å; F27-I75 HydrophobicContact CE1-CG2 3.99Å; F27-I75 HydrophobicContact CE2-CD1 3.95Å; F27-I75 HydrophobicContact CE2-CG2 3.75Å; F27-I75 HydrophobicContact CG-CG2 3.75Å; F27-I75 HydrophobicContact CZ-CD1 3.93Å; F27-I75 HydrophobicContact CZ-CG2 3.9Å; T67-I75 CarbonylContact C-O 3.54Å; T67-I75 WeakPolarHBondContact CA-O 3.49Å; V68-I75 HydrophobicContact CG2-CB 3.92Å; V68-I75 HydrophobicContact CG2-CG2 4.48Å; V68-I75 PolarHBondContact N-O 3.12Å; V68-I75 PolarHBondContact O-N 3.35Å; R70-I75 HydrophobicContact CB-CD1 3.85Å; R70-I75 HydrophobicContact CG-CD1 4.33Å; I75-L77 HydrophobicContact CG2-CD2 3.79Å; I75-V184 HydrophobicContact CD1-CG1 3.91Å
76	K	95.7	Very high	86	Confident	26 Å²	26	52.7 Å²	52.7	11%	0.113	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	111.5	174.4	-172.4	167.6	-113.2	-179.8	0	109.3	D20 F23 Y25 M26 F27 V65	D20-K76 PolarHBondContact O-NZ 2.97Å; D20-K76 WeakPolarHBondContact OD1-CE 3.4Å; D20-K76 IonicContact OD1-NZ 3.74Å; D20-K76 PolarHBondContact OD1-NZ 3.43Å; F23-K76 HydrophobicContact CB-CB 4.28Å; F23-K76 HydrophobicContact CD1-CB 4.4Å; F23-K76 HydrophobicContact CD1-CD 4.1Å; F23-K76 HydrophobicContact CD2-CB 4.26Å; F23-K76 HydrophobicContact CE1-CD 4.22Å; F23-K76 HydrophobicContact CG-CB 4.04Å; Y25-K76 PolarHBondContact O-N 3.26Å; M26-K76 CarbonylContact C-O 3.59Å; M26-K76 VanDerWaalsContact CA-O 3.26Å; M26-K76 WeakPolarHBondContact CA-O 3.43Å; M26-K76 HydrophobicContact CE-CD 4.1Å; F27-K76 PolarHBondContact N-O 3.49Å; V65-K76 HydrophobicContact CG1-CD 3.75Å; V65-K76 HydrophobicContact CG1-CG 3.48Å; V65-K76 VanDerWaalsContact CG1-CG 3.48Å
77	L	96.3	Very high	84.1	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	122.9	175.7	-49.4	-179.2	0	0	0	109.1	F27 L29 Y46 V65 K66 V68 I75 I79 V184	F27-L77 HydrophobicContact CB-CD2 3.91Å; F27-L77 HydrophobicContact CD2-CD2 4.02Å; F27-L77 HydrophobicContact CG-CD2 4.3Å; F27-L77 WeakPolarHBondContact O-CA 3.4Å; L29-L77 HydrophobicContact CD1-CB 4.41Å; L29-L77 HydrophobicContact CD1-CD1 4.33Å; L29-L77 HydrophobicContact CD1-CD2 4.26Å; Y46-L77 HydrophobicContact CE1-CD1 4.4Å; V65-L77 CarbonylContact C-O 3.5Å; V65-L77 VanDerWaalsContact CA-O 3.27Å; V65-L77 WeakPolarHBondContact CA-O 3.44Å; K66-L77 PolarHBondContact N-O 3.31Å; K66-L77 WeakPolarHBondContact O-CA 3.3Å; K66-L77 VanDerWaalsContact O-CB 3.29Å; K66-L77 WeakPolarHBondContact O-CB 3.47Å; K66-L77 WeakPolarHBondContact O-CG 3.47Å; K66-L77 PolarHBondContact O-N 3.46Å; V68-L77 HydrophobicContact CG1-CD1 3.75Å; V68-L77 HydrophobicContact CG1-CG 4.34Å; V68-L77 HydrophobicContact CG2-CD1 4Å; V68-L77 HydrophobicContact CG2-CD2 4.14Å; V68-L77 HydrophobicContact CG2-CG 4.02Å; I75-L77 HydrophobicContact CG2-CD2 3.79Å; L77-I79 HydrophobicContact CB-CD1 4.25Å; L77-I79 HydrophobicContact CB-CG1 4.01Å; L77-V184 HydrophobicContact CD1-CG2 3.9Å; L77-V184 HydrophobicContact CD2-CG2 3.62Å; L77-V184 HydrophobicContact CG-CG2 4.41Å
78	Q	95.6	Very high	82.3	Confident	50 Å²	50	61.1 Å²	61.1	23%	0.234	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	104.5	166.2	-67.5	-174.2	-29.6	0	0	108	M26 F27 L29 V65	M26-Q78 HydrophobicContact CG-CG 4.16Å; M26-Q78 HydrophobicContact SD-CG 4.08Å; M26-Q78 PolarHBondContact SD-NE2 3.03Å; M26-Q78 VanDerWaalsContact SD-NE2 3.39Å; F27-Q78 PolarHBondContact O-N 3.43Å; L29-Q78 PolarHBondContact N-O 2.82Å; V65-Q78 HydrophobicContact CG2-CG 4.4Å
79	I	95.3	Very high	80.4	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	114.5	-172.9	-48	169.6	0	0	0	108.3	L29 I31 L43 Y46 F63 K64 L77 F180	L29-I79 HydrophobicContact CB-CG1 4.4Å; L29-I79 HydrophobicContact CB-CG2 4.47Å; L29-I79 HydrophobicContact CD1-CG1 4.28Å; L29-I79 WeakPolarHBondContact O-CA 3.38Å; I31-I79 HydrophobicContact CD1-CG2 3.99Å; I31-I79 HydrophobicContact CG1-CG2 4.02Å; L43-I79 HydrophobicContact CD1-CB 3.81Å; L43-I79 HydrophobicContact CD1-CD1 4.05Å; L43-I79 HydrophobicContact CD1-CG2 3.58Å; Y46-I79 HydrophobicContact CD1-CD1 3.72Å; Y46-I79 HydrophobicContact CE1-CD1 3.55Å; F63-I79 CarbonylContact C-O 3.52Å; F63-I79 VanDerWaalsContact CA-O 3.23Å; F63-I79 WeakPolarHBondContact CA-O 3.3Å; K64-I79 PolarHBondContact N-O 2.68Å; K64-I79 PolarHBondContact O-N 3.05Å; L77-I79 HydrophobicContact CB-CD1 4.25Å; L77-I79 HydrophobicContact CB-CG1 4.01Å; I79-F180 HydrophobicContact CD1-CD1 4.16Å; I79-F180 HydrophobicContact CD1-CE1 3.84Å; I79-F180 HydrophobicContact CG1-CE1 4.46Å; I79-F180 HydrophobicContact CG2-CE1 3.94Å; I79-F180 HydrophobicContact CG2-CZ 4.47Å
80	W	92.8	Very high	78.7	Confident	49 Å²	49	66 Å²	66	19%	0.186	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	115.9	-177.9	-63.3	78.7	0	0	0	109.3	L29 L30 I31 I61 F63 Y95	L29-W80 PolarHBondContact O-N 2.81Å; L30-W80 HydrophobicContact CD1-CB 3.99Å; L30-W80 HydrophobicContact CD1-CG 4.05Å; L30-W80 HydrophobicContact CG-CB 4.03Å; I31-W80 PolarHBondContact N-O 2.95Å; I61-W80 HydrophobicContact CG2-CE3 3.65Å; I61-W80 HydrophobicContact CG2-CZ3 4.27Å; F63-W80 HydrophobicContact CB-CD2 4.02Å; F63-W80 HydrophobicContact CB-CE3 3.97Å; F63-W80 HydrophobicContact CB-CG 4.42Å; F63-W80 HydrophobicContact CB-CZ3 4.33Å; F63-W80 HydrophobicContact CD1-CZ3 4.42Å; W80-Y95 HydrophobicContact CD2-CD1 4.27Å; W80-Y95 AromaticContact CE3-CD1 3.67Å; W80-Y95 HydrophobicContact CE3-CD1 3.67Å; W80-Y95 AromaticContact CE3-CE1 3.77Å; W80-Y95 HydrophobicContact CE3-CE1 3.77Å; W80-Y95 HydrophobicContact CH2-CD1 4.43Å; W80-Y95 HydrophobicContact CH2-CE1 4.21Å; W80-Y95 AromaticContact CZ3-CD1 3.78Å; W80-Y95 HydrophobicContact CZ3-CD1 3.78Å; W80-Y95 AromaticContact CZ3-CE1 3.47Å; W80-Y95 HydrophobicContact CZ3-CE1 3.47Å; W80-Y95 VanDerWaalsContact CZ3-CE1 3.47Å
81	D	89.8	Confident	77.3	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	120.7	170.6	-179.6	43.8	0	0	0	109.4	K39 T40 L43 I61 D62	K39-D81 VanDerWaalsContact CB-OD1 3.28Å; K39-D81 WeakPolarHBondContact CB-OD1 3.31Å; T40-D81 WeakPolarHBondContact CA-OD2 3.49Å; T40-D81 VanDerWaalsContact CB-OD2 3.23Å; T40-D81 WeakPolarHBondContact CB-OD2 3.41Å; T40-D81 WeakPolarHBondContact CG2-OD2 3.39Å; T40-D81 PolarHBondContact N-OD1 2.84Å; T40-D81 PolarHBondContact OG1-OD1 2.88Å; T40-D81 PolarHBondContact OG1-OD2 3.23Å; L43-D81 HydrophobicContact CD2-CB 3.65Å; I61-D81 WeakPolarHBondContact CA-O 3.31Å; I61-D81 WeakPolarHBondContact CG2-O 3.26Å; D62-D81 PolarHBondContact N-O 2.79Å; D62-D81 VanDerWaalsContact N-O 3.14Å; D62-D81 PolarHBondContact O-N 3.46Å
82	T	82.6	Confident	76.4	Confident	4 Å²	4	62.5 Å²	62.5	3%	0.025	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	133.5	-179.6	61	0	0	0	0	110.4	I31 I32 K39 G84 T92	I31-T82 WeakPolarHBondContact O-CG2 3.43Å; I31-T82 PolarHBondContact O-OG1 2.9Å; I32-T82 HydrophobicContact CG2-CG2 4.38Å; K39-T82 WeakPolarHBondContact CE-O 3.48Å; T82-G84 PolarHBondContact O-N 2.82Å; T82-T92 HydrophobicContact CG2-CG2 4.03Å
83	A	70.9	Confident	75.8	Confident	19 Å²	19	54.8 Å²	54.8	16%	0.157	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-55.6	131	164.1	0	0	0	0	0	109.1	T58 G60 Q85	T58-A83 HydrophobicContact CG2-CB 4.46Å; T58-A83 VanDerWaalsContact O-CB 3.32Å; T58-A83 WeakPolarHBondContact O-CB 3.26Å; G60-A83 WeakPolarHBondContact O-CB 3.48Å; G60-A83 PolarHBondContact O-N 2.82Å; G60-A83 VanDerWaalsContact O-N 3.16Å; A83-Q85 PolarHBondContact O-N 2.79Å
84	G	59.1	Low	75.3	Confident	11 Å²	11	54.4 Å²	54.4	11%	0.113	26%	0.264	C	S	.	.			trans	-68.5	0.2	176.7	0	0	0	0	0	114.6	S35 T82 E86	S35-G84 PolarHBondContact N-O 3.5Å; S35-G84 PolarHBondContact OG-O 2.83Å; T82-G84 PolarHBondContact O-N 2.82Å; G84-E86 PolarHBondContact O-N 3.03Å
85	Q	55.4	Low	74.9	Confident	63 Å²	63	54.4 Å²	54.4	29%	0.294	27%	0.265	S	S	.	.			trans	-64.5	98.5	-176.6	-90.9	-149.8	48.2	0	0	111.8	A83 R87 Y88	A83-Q85 PolarHBondContact O-N 2.79Å; Q85-R87 PolarHBondContact O-N 2.81Å; Q85-Y88 HydrophobicContact CB-CD2 3.81Å; Q85-Y88 HydrophobicContact CB-CE2 4.28Å; Q85-Y88 PolarHBondContact O-N 2.79Å; Q85-Y88 VanDerWaalsContact O-N 3.09Å
86	E	57.2	Low	74.6	Confident	85 Å²	85	54.4 Å²	54.4	40%	0.397	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-57.9	-14.5	172.8	62.6	-69.1	151	0	0	113.9	S35 G84 Y88 R89	S35-E86 PolarHBondContact OG-OE2 2.99Å; G84-E86 PolarHBondContact O-N 3.03Å; E86-Y88 VanDerWaalsContact C-N 3.28Å; E86-Y88 PolarHBondContact O-N 2.81Å; E86-R89 WeakPolarHBondContact O-CG 3.24Å; E86-R89 PolarHBondContact O-NE 3.38Å
87	R	54	Low	74.1	Confident	175 Å²	175	63 Å²	63	66%	0.66	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-72.9	-17.3	174.2	-63.2	-170.8	-62.2	-178.4	-1.8	113.7	Q85	Q85-R87 PolarHBondContact O-N 2.81Å
88	Y	56.1	Low	73.8	Confident	124 Å²	124	65 Å²	65	49%	0.486	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-117.4	27	-174.4	-56.3	-64	0	0	0	113.9	Q85 E86 T90 I91	Q85-Y88 HydrophobicContact CB-CD2 3.81Å; Q85-Y88 HydrophobicContact CB-CE2 4.28Å; Q85-Y88 PolarHBondContact O-N 2.79Å; Q85-Y88 VanDerWaalsContact O-N 3.09Å; E86-Y88 VanDerWaalsContact C-N 3.28Å; E86-Y88 PolarHBondContact O-N 2.81Å; Y88-T90 PolarHBondContact O-N 3Å; Y88-I91 PolarHBondContact O-N 2.85Å
89	R	54.8	Low	73.7	Confident	124 Å²	124	62.7 Å²	62.7	47%	0.468	31%	0.307	S	S	.	.	H	α-helix	trans	-39.2	-34.9	-177.8	-75.4	169.8	-174.1	-155.7	-2.5	114.7	E86 T92	E86-R89 WeakPolarHBondContact O-CG 3.24Å; E86-R89 PolarHBondContact O-NE 3.38Å; R89-T92 PolarHBondContact O-N 2.94Å
90	T	56.7	Low	73.7	Confident	120 Å²	120	63.9 Å²	63.9	74%	0.736	31%	0.313	S	S	*	.	H	α-helix	trans	-65.7	-34.5	177.6	-45.3	0	0	0	0	114.8	Y88 T92 T93	Y88-T90 PolarHBondContact O-N 3Å; T90-T92 VanDerWaalsContact C-N 3.3Å; T90-T93 PolarHBondContact O-OG1 2.97Å
91	I	59.3	Low	73.9	Confident	98 Å²	98	61.6 Å²	61.6	50%	0.503	30%	0.304	S	S	.	.	H	α-helix	trans	-69.7	-35.2	180	-63.3	178.8	0	0	0	109.8	I61 Y88 T93 Y95	I61-I91 HydrophobicContact CD1-CG2 4.47Å; Y88-I91 PolarHBondContact O-N 2.85Å; I91-T93 PolarHBondContact O-N 3.49Å; I91-Y95 HydrophobicContact CG2-CE2 4.21Å; I91-Y95 VanDerWaalsContact O-CD2 3.22Å; I91-Y95 WeakPolarHBondContact O-CD2 3.49Å; I91-Y95 WeakPolarHBondContact O-CE2 3.47Å
92	T	66.1	Low	74.2	Confident	12 Å²	12	61.5 Å²	61.5	7%	0.074	30%	0.304	C	S	.	.	H	α-helix	trans	-66.6	-37.4	-177.8	-43	0	0	0	0	112	T82 R89 T90 A94 Y95 Y96	T82-T92 HydrophobicContact CG2-CG2 4.03Å; R89-T92 PolarHBondContact O-N 2.94Å; T90-T92 VanDerWaalsContact C-N 3.3Å; T92-A94 VanDerWaalsContact C-N 3.29Å; T92-A94 PolarHBondContact O-N 2.91Å; T92-Y95 PolarHBondContact O-N 2.93Å; T92-Y96 HydrophobicContact CG2-CE1 3.83Å; T92-Y96 WeakPolarHBondContact O-CD1 3.32Å; T92-Y96 WeakPolarHBondContact O-CE1 3.29Å
93	T	75.2	Confident	74.9	Confident	38 Å²	38	61.4 Å²	61.4	23%	0.233	30%	0.303	C	S	.	.	H	α-helix	trans	-61.5	-33.2	-174	59.6	0	0	0	0	113.5	T90 I91 Y95 Y96 Y127	T90-T93 PolarHBondContact O-OG1 2.97Å; I91-T93 PolarHBondContact O-N 3.49Å; T93-Y95 PolarHBondContact O-N 2.78Å; T93-Y96 VanDerWaalsContact CA-CD1 3.43Å; T93-Y96 WeakPolarHBondContact O-CB 3.5Å; T93-Y96 WeakPolarHBondContact O-CD1 3.25Å; T93-Y96 PolarHBondContact O-N 2.97Å; T93-Y96 VanDerWaalsContact O-N 3.17Å; T93-Y127 HydrophobicContact CG2-CD2 3.65Å; T93-Y127 HydrophobicContact CG2-CE2 3.63Å; T93-Y127 HydrophobicContact CG2-CG 4.14Å
94	A	79.3	Confident	76.1	Confident	73 Å²	73	60.5 Å²	60.5	60%	0.603	30%	0.296	S	S	*	.	H	α-helix	trans	-59.6	-28.6	176.3	0	0	0	0	0	113	T92	T92-A94 VanDerWaalsContact C-N 3.29Å; T92-A94 PolarHBondContact O-N 2.91Å
95	Y	84.7	Confident	78	Confident	69 Å²	69	60 Å²	60	27%	0.271	29%	0.29	S	S	.	.	H	α-helix	trans	-80.8	-18	-178	-65.9	-93.9	0	0	0	113.3	K28 L30 I61 W80 I91 T92 T93 R97	K28-Y95 WeakPolarHBondContact CE-O 3.49Å; K28-Y95 PolarHBondContact NZ-O 3.39Å; L30-Y95 WeakPolarHBondContact CD2-O 3.48Å; I61-Y95 HydrophobicContact CD1-CD1 4.26Å; I61-Y95 HydrophobicContact CD1-CD2 3.37Å; I61-Y95 HydrophobicContact CD1-CE1 4.05Å; I61-Y95 HydrophobicContact CD1-CE2 3.13Å; I61-Y95 HydrophobicContact CD1-CG 3.95Å; I61-Y95 VanDerWaalsContact CD1-CZ 3.48Å; I61-Y95 HydrophobicContact CG2-CD1 4.41Å; I61-Y95 HydrophobicContact CG2-CE1 4.15Å; W80-Y95 HydrophobicContact CD2-CD1 4.27Å; W80-Y95 AromaticContact CE3-CD1 3.67Å; W80-Y95 HydrophobicContact CE3-CD1 3.67Å; W80-Y95 AromaticContact CE3-CE1 3.77Å; W80-Y95 HydrophobicContact CE3-CE1 3.77Å; W80-Y95 HydrophobicContact CH2-CD1 4.43Å; W80-Y95 HydrophobicContact CH2-CE1 4.21Å; W80-Y95 AromaticContact CZ3-CD1 3.78Å; W80-Y95 HydrophobicContact CZ3-CD1 3.78Å; W80-Y95 AromaticContact CZ3-CE1 3.47Å; W80-Y95 HydrophobicContact CZ3-CE1 3.47Å; W80-Y95 VanDerWaalsContact CZ3-CE1 3.47Å; I91-Y95 HydrophobicContact CG2-CE2 4.21Å; I91-Y95 VanDerWaalsContact O-CD2 3.22Å; I91-Y95 WeakPolarHBondContact O-CD2 3.49Å; I91-Y95 WeakPolarHBondContact O-CE2 3.47Å; T92-Y95 PolarHBondContact O-N 2.93Å; T93-Y95 PolarHBondContact O-N 2.78Å; Y95-R97 PolarHBondContact O-N 2.99Å
96	Y	88.8	Confident	80	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65	-27.5	177.5	-71.6	69.8	0	0	0	111.7	I32 T92 T93 G98 A99 F102 Q123 I124	I32-Y96 HydrophobicContact CD1-CE2 4.41Å; T92-Y96 HydrophobicContact CG2-CE1 3.83Å; T92-Y96 WeakPolarHBondContact O-CD1 3.32Å; T92-Y96 WeakPolarHBondContact O-CE1 3.29Å; T93-Y96 VanDerWaalsContact CA-CD1 3.43Å; T93-Y96 WeakPolarHBondContact O-CB 3.5Å; T93-Y96 WeakPolarHBondContact O-CD1 3.25Å; T93-Y96 PolarHBondContact O-N 2.97Å; T93-Y96 VanDerWaalsContact O-N 3.17Å; Y96-G98 PolarHBondContact O-N 2.69Å; Y96-A99 VanDerWaalsContact O-CB 3.27Å; Y96-A99 WeakPolarHBondContact O-CB 3.27Å; Y96-A99 PolarHBondContact O-N 2.89Å; Y96-A99 VanDerWaalsContact O-N 3.08Å; Y96-F102 HydrophobicContact CD2-CD1 4.44Å; Y96-F102 AromaticContact CD2-CE1 3.36Å; Y96-F102 HydrophobicContact CD2-CE1 3.36Å; Y96-F102 AromaticContact CD2-CZ 3.57Å; Y96-F102 HydrophobicContact CD2-CZ 3.57Å; Y96-F102 HydrophobicContact CE2-CD1 4.42Å; Y96-F102 AromaticContact CE2-CE1 3.7Å; Y96-F102 HydrophobicContact CE2-CE1 3.7Å; Y96-F102 HydrophobicContact CE2-CZ 4.31Å; Y96-F102 HydrophobicContact CG-CE1 4Å; Y96-F102 HydrophobicContact CG-CZ 4.15Å; Y96-Q123 HydrophobicContact CE2-CB 4.42Å; Y96-Q123 PolarHBondContact OH-OE1 2.73Å; Y96-I124 HydrophobicContact CD2-CG1 4.37Å; Y96-I124 HydrophobicContact CE2-CB 4.3Å; Y96-I124 HydrophobicContact CE2-CG1 3.73Å
97	R	87	Confident	81.9	Confident	206 Å²	206	53.2 Å²	53.2	78%	0.777	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	122.8	179.5	-173	175.3	175.2	81.8	2	110.8	K28 Y95 A99	K28-R97 PolarHBondContact NZ-O 3.03Å; Y95-R97 PolarHBondContact O-N 2.99Å; R97-A99 PolarHBondContact O-N 2.8Å
98	G	88.6	Confident	84.1	Confident	44 Å²	44	44.9 Å²	44.9	45%	0.454	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	7.1	-179.9	0	0	0	0	0	114.7	Y96 M100	Y96-G98 PolarHBondContact O-N 2.69Å; G98-M100 PolarHBondContact O-N 2.78Å
99	A	93.6	Very high	86.1	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.			trans	-71.8	114.7	173.1	0	0	0	0	0	110	K28 L30 Y96 R97 F102 W129	K28-A99 HydrophobicContact CG-CB 4.49Å; K28-A99 CarbonylContact O-C 3.56Å; L30-A99 HydrophobicContact CD1-CB 3.57Å; L30-A99 HydrophobicContact CD2-CB 4.2Å; L30-A99 HydrophobicContact CG-CB 4.36Å; Y96-A99 VanDerWaalsContact O-CB 3.27Å; Y96-A99 WeakPolarHBondContact O-CB 3.27Å; Y96-A99 PolarHBondContact O-N 2.89Å; Y96-A99 VanDerWaalsContact O-N 3.08Å; R97-A99 PolarHBondContact O-N 2.8Å; A99-F102 HydrophobicContact CB-CE1 4.08Å; A99-F102 HydrophobicContact CB-CE2 3.72Å; A99-F102 HydrophobicContact CB-CZ 3.41Å; A99-F102 VanDerWaalsContact CB-CZ 3.41Å; A99-W129 PolarHBondContact O-NE1 2.87Å
100	M	95.7	Very high	88.1	Confident	27 Å²	27	36.9 Å²	36.9	13%	0.133	20%	0.204	C	C	.	.			trans	-79.8	-28.3	-177.2	-52.1	-173.2	81.2	0	0	112.5	F27 K28 G98 W129 Q133 I187 M191	F27-M100 HydrophobicContact CB-SD 4.23Å; F27-M100 HydrophobicContact CD1-CE 4.35Å; F27-M100 HydrophobicContact CD1-SD 3.65Å; F27-M100 HydrophobicContact CE1-SD 4.43Å; F27-M100 HydrophobicContact CG-SD 4.17Å; K28-M100 PolarHBondContact O-N 3.39Å; G98-M100 PolarHBondContact O-N 2.78Å; M100-W129 HydrophobicContact CB-CZ2 4Å; M100-W129 HydrophobicContact CE-CH2 3.91Å; M100-W129 HydrophobicContact CE-CZ2 4.03Å; M100-W129 HydrophobicContact CG-CZ2 3.88Å; M100-Q133 PolarHBondContact O-N 2.8Å; M100-I187 HydrophobicContact CB-CD1 4.2Å; M100-I187 HydrophobicContact CB-CG2 4.25Å; M100-I187 HydrophobicContact CE-CG2 4.26Å; M100-M191 HydrophobicContact CE-CE 3.18Å; M100-M191 HydrophobicContact CE-SD 3.77Å; M100-M191 HydrophobicContact SD-CE 4.26Å
101	G	96.6	Very high	90	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	147.8	-179.3	0	0	0	0	0	112.9	K28 L29 L30 Q133	K28-G101 PolarHBondContact O-N 3.33Å; L29-G101 CarbonylContact C-O 3.56Å; L29-G101 VanDerWaalsContact CA-O 3.32Å; L29-G101 WeakPolarHBondContact CA-O 3.39Å; L30-G101 PolarHBondContact N-O 2.8Å; G101-Q133 CarbonylContact C-O 3.52Å; G101-Q133 VanDerWaalsContact CA-O 3.24Å; G101-Q133 WeakPolarHBondContact CA-O 3.29Å
102	F	96.7	Very high	91.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.9	175.9	-66.2	-96.2	0	0	0	110.2	L30 I32 Y96 A99 I124 A132 Q133 V134 I135	L30-F102 HydrophobicContact CB-CD1 3.8Å; L30-F102 HydrophobicContact CB-CE1 3.94Å; L30-F102 HydrophobicContact CD2-CD1 4.41Å; L30-F102 HydrophobicContact CD2-CE1 3.73Å; L30-F102 HydrophobicContact CD2-CZ 4.45Å; L30-F102 HydrophobicContact CG-CE1 4.42Å; L30-F102 CarbonylContact O-C 3.59Å; L30-F102 WeakPolarHBondContact O-CA 3.5Å; I32-F102 HydrophobicContact CD1-CD1 4.39Å; I32-F102 HydrophobicContact CG2-CD1 4.41Å; Y96-F102 HydrophobicContact CD2-CD1 4.44Å; Y96-F102 AromaticContact CD2-CE1 3.36Å; Y96-F102 HydrophobicContact CD2-CE1 3.36Å; Y96-F102 AromaticContact CD2-CZ 3.57Å; Y96-F102 HydrophobicContact CD2-CZ 3.57Å; Y96-F102 HydrophobicContact CE2-CD1 4.42Å; Y96-F102 AromaticContact CE2-CE1 3.7Å; Y96-F102 HydrophobicContact CE2-CE1 3.7Å; Y96-F102 HydrophobicContact CE2-CZ 4.31Å; Y96-F102 HydrophobicContact CG-CE1 4Å; Y96-F102 HydrophobicContact CG-CZ 4.15Å; A99-F102 HydrophobicContact CB-CE1 4.08Å; A99-F102 HydrophobicContact CB-CE2 3.72Å; A99-F102 HydrophobicContact CB-CZ 3.41Å; A99-F102 VanDerWaalsContact CB-CZ 3.41Å; F102-I124 HydrophobicContact CB-CD1 4.02Å; F102-I124 HydrophobicContact CD1-CD1 4.21Å; F102-I124 HydrophobicContact CD1-CG1 3.95Å; F102-I124 HydrophobicContact CD2-CG2 3.91Å; F102-I124 HydrophobicContact CE1-CG1 4.23Å; F102-I124 HydrophobicContact CE2-CG2 3.96Å; F102-I124 HydrophobicContact CG-CD1 4.1Å; F102-I124 HydrophobicContact CG-CG1 4.16Å; F102-I124 HydrophobicContact CG-CG2 4.24Å; F102-I124 HydrophobicContact CZ-CG2 4.3Å; F102-A132 HydrophobicContact CD2-CB 3.95Å; F102-A132 HydrophobicContact CE2-CB 3.64Å; F102-Q133 PolarHBondContact N-O 2.96Å; F102-V134 HydrophobicContact CB-CG1 4.22Å; F102-V134 HydrophobicContact CB-CG2 4.21Å; F102-V134 HydrophobicContact CD2-CG2 4.45Å; F102-V134 WeakPolarHBondContact O-CA 3.38Å; F102-I135 PolarHBondContact O-N 3.28Å
103	L	97.4	Very high	93.2	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	106.2	161	-63	-174.9	0	0	0	107.6	L30 I31 I32 F42 I135 V137 V179 F180 L183	L30-L103 PolarHBondContact O-N 3.01Å; I31-L103 WeakPolarHBondContact CA-O 3.25Å; I31-L103 HydrophobicContact CG1-CB 4.39Å; I31-L103 HydrophobicContact CG1-CD1 4.32Å; I31-L103 HydrophobicContact CG2-CB 4.19Å; I32-L103 PolarHBondContact N-O 3.44Å; F42-L103 HydrophobicContact CE1-CD1 4.23Å; L103-I135 HydrophobicContact CD2-CB 4.02Å; L103-V137 HydrophobicContact CD2-CG2 4.41Å; L103-V179 HydrophobicContact CD1-CG1 3.95Å; L103-V179 HydrophobicContact CD2-CG1 3.39Å; L103-V179 HydrophobicContact CG-CG1 4.32Å; L103-F180 HydrophobicContact CD1-CD1 3.97Å; L103-F180 HydrophobicContact CD1-CD2 4.49Å; L103-F180 HydrophobicContact CD1-CE1 3.45Å; L103-F180 VanDerWaalsContact CD1-CE1 3.45Å; L103-F180 HydrophobicContact CD1-CE2 4.04Å; L103-F180 HydrophobicContact CD1-CG 4.46Å; L103-F180 HydrophobicContact CD1-CZ 3.49Å; L103-F180 VanDerWaalsContact CD1-CZ 3.49Å; L103-L183 HydrophobicContact CD2-CD2 3.68Å; L103-L183 HydrophobicContact CG-CD2 3.98Å
104	L	96.9	Very high	94.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	112.9	175.7	174.7	51	0	0	0	108.3	I32 V117 W120 A121 I124 V134 I135 L136 V137 F163	I32-L104 HydrophobicContact CD1-CD1 4.04Å; I32-L104 HydrophobicContact CG1-CB 4.32Å; I32-L104 HydrophobicContact CG1-CD1 3.87Å; L104-V117 HydrophobicContact CD2-CG1 3.7Å; L104-V117 HydrophobicContact CG-CG1 4.18Å; L104-W120 HydrophobicContact CD1-CB 3.44Å; L104-W120 VanDerWaalsContact CD1-CB 3.44Å; L104-W120 HydrophobicContact CD1-CG 3.96Å; L104-W120 HydrophobicContact CD2-CB 4.34Å; L104-A121 HydrophobicContact CD2-CB 4.22Å; L104-I124 HydrophobicContact CD2-CD1 4.37Å; L104-V134 HydrophobicContact CB-CG1 4.11Å; L104-I135 PolarHBondContact N-O 3.37Å; L104-L136 HydrophobicContact CB-CD1 4.41Å; L104-L136 HydrophobicContact CD2-CD1 4.32Å; L104-L136 HydrophobicContact CG-CD1 3.94Å; L104-L136 CarbonylContact O-C 3.58Å; L104-L136 WeakPolarHBondContact O-CA 3.34Å; L104-L136 WeakPolarHBondContact O-CD1 3.36Å; L104-V137 PolarHBondContact O-N 3.47Å; L104-F163 HydrophobicContact CD2-CE2 4.1Å
105	M	97.2	Very high	95.1	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.1	-168.2	-165.4	-177.7	-59.5	0	0	112.1	I31 I32 G33 V37 K39 F42 V137 N139	I31-M105 HydrophobicContact CG2-CE 3.67Å; I32-M105 PolarHBondContact O-N 3.2Å; G33-M105 WeakPolarHBondContact CA-O 3.38Å; V37-M105 HydrophobicContact CG2-CB 4.13Å; V37-M105 HydrophobicContact CG2-CG 4.08Å; V37-M105 HydrophobicContact CG2-SD 4.15Å; K39-M105 HydrophobicContact CG-SD 4.16Å; F42-M105 HydrophobicContact CB-CE 3.74Å; F42-M105 HydrophobicContact CB-SD 4.44Å; F42-M105 HydrophobicContact CD1-CE 3.85Å; F42-M105 HydrophobicContact CD2-CE 4.12Å; F42-M105 HydrophobicContact CE1-CE 4.48Å; F42-M105 HydrophobicContact CG-CE 3.65Å; M105-V137 WeakPolarHBondContact CA-O 3.43Å; M105-V137 HydrophobicContact CG-CB 4.29Å; M105-V137 HydrophobicContact CG-CG1 4.44Å; M105-N139 HydrophobicContact CG-CB 3.8Å; M105-N139 HydrophobicContact SD-CB 3.81Å
106	Y	98.1	Very high	95.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	171.3	165.7	73.8	-86	0	0	0	110	I108 F114 V117 L136 V137 N139 V149 F165	Y106-I108 HydrophobicContact CE2-CG2 4.04Å; Y106-F114 HydrophobicContact CD1-CD2 4.1Å; Y106-F114 HydrophobicContact CD2-CB 3.92Å; Y106-F114 AromaticContact CD2-CD2 3.86Å; Y106-F114 HydrophobicContact CD2-CD2 3.86Å; Y106-F114 HydrophobicContact CD2-CG 4.36Å; Y106-F114 AromaticContact CE1-CD2 3.96Å; Y106-F114 HydrophobicContact CE1-CD2 3.96Å; Y106-F114 HydrophobicContact CE1-CE2 4.31Å; Y106-F114 HydrophobicContact CE2-CB 4.4Å; Y106-F114 AromaticContact CE2-CD2 3.74Å; Y106-F114 HydrophobicContact CE2-CD2 3.74Å; Y106-F114 HydrophobicContact CE2-CE2 4.5Å; Y106-F114 HydrophobicContact CE2-CG 4.45Å; Y106-F114 HydrophobicContact CG-CB 4.33Å; Y106-F114 HydrophobicContact CG-CD2 4.05Å; Y106-F114 AromaticContact CZ-CD2 3.78Å; Y106-V117 HydrophobicContact CD1-CG2 4.09Å; Y106-V117 HydrophobicContact CG-CG2 4.29Å; Y106-L136 HydrophobicContact CD1-CD1 3.91Å; Y106-L136 HydrophobicContact CD1-CG 4.34Å; Y106-L136 HydrophobicContact CE1-CD1 4.15Å; Y106-L136 HydrophobicContact CE1-CD2 4.24Å; Y106-L136 HydrophobicContact CE1-CG 4.09Å; Y106-V137 WeakPolarHBondContact CD1-O 3.27Å; Y106-V137 PolarHBondContact N-O 2.86Å; Y106-N139 PolarHBondContact O-N 2.62Å; Y106-V149 HydrophobicContact CE2-CB 4.09Å; Y106-V149 HydrophobicContact CE2-CG1 3.84Å; Y106-V149 HydrophobicContact CE2-CG2 4.3Å; Y106-F165 AromaticContact CE1-CE2 3.94Å; Y106-F165 HydrophobicContact CE1-CE2 3.94Å; Y106-F165 WeakPolarHBondContact OH-CE2 3.46Å; Y106-F165 WeakPolarHBondContact OH-CZ 3.46Å
107	D	97.9	Very high	95.9	Very high	5 Å²	5	32 Å²	32	3%	0.027	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.7	176.8	173.2	-5.1	0	0	0	109	V37 T109 N110 S113 K140	V37-D107 HydrophobicContact CB-CB 4.25Å; V37-D107 HydrophobicContact CG1-CB 4.21Å; D107-T109 VanDerWaalsContact CG-OG1 3.23Å; D107-T109 PolarHBondContact O-N 2.88Å; D107-T109 VanDerWaalsContact O-N 3.12Å; D107-T109 WeakPolarHBondContact OD1-CB 3.39Å; D107-T109 PolarHBondContact OD1-N 3.49Å; D107-T109 PolarHBondContact OD1-OG1 3.22Å; D107-T109 PolarHBondContact OD2-OG1 2.8Å; D107-N110 HydrophobicContact CB-CB 4Å; D107-N110 PolarHBondContact O-N 2.86Å; D107-S113 PolarHBondContact N-OG 3.19Å; D107-S113 PolarHBondContact O-OG 2.73Å; D107-K140 WeakPolarHBondContact OD2-CD 3.49Å; D107-K140 WeakPolarHBondContact OD2-CE 3.48Å; D107-K140 IonicContact OD2-NZ 2.66Å; D107-K140 PolarHBondContact OD2-NZ 3.29Å
108	I	98.6	Very high	96.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.1	-176.9	65.3	151	0	0	0	113.3	Y106 N139 K140 C141 R147 L148 V149	Y106-I108 HydrophobicContact CE2-CG2 4.04Å; I108-N139 PolarHBondContact N-O 3.06Å; I108-N139 VanDerWaalsContact N-O 3.1Å; I108-K140 WeakPolarHBondContact CD1-O 3.24Å; I108-K140 WeakPolarHBondContact CG1-O 3.47Å; I108-C141 HydrophobicContact CD1-CB 4.44Å; I108-R147 HydrophobicContact CD1-CB 4.33Å; I108-R147 HydrophobicContact CD1-CG 4.33Å; I108-L148 PolarHBondContact O-N 3.19Å; I108-V149 PolarHBondContact O-N 2.94Å
109	T	98.4	Very high	96.5	Very high	33 Å²	33	30 Å²	30	20%	0.202	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	3.8	177.4	69.8	0	0	0	0	112.6	D107 L143 D146 L148	D107-T109 VanDerWaalsContact CG-OG1 3.23Å; D107-T109 PolarHBondContact O-N 2.88Å; D107-T109 VanDerWaalsContact O-N 3.12Å; D107-T109 WeakPolarHBondContact OD1-CB 3.39Å; D107-T109 PolarHBondContact OD1-N 3.49Å; D107-T109 PolarHBondContact OD1-OG1 3.22Å; D107-T109 PolarHBondContact OD2-OG1 2.8Å; T109-L143 HydrophobicContact CG2-CB 3.56Å; T109-L143 HydrophobicContact CG2-CD1 3.84Å; T109-L143 HydrophobicContact CG2-CG 4.36Å; T109-D146 HydrophobicContact CG2-CB 3.93Å; T109-L148 WeakPolarHBondContact O-CD1 3.48Å
110	N	97.4	Very high	96.4	Very high	48 Å²	48	30.8 Å²	30.8	26%	0.257	16%	0.16	S	C	.	.			trans	-135.5	100	-175.2	-173.8	-38.8	0	0	0	111.9	D107 D112 S113 F114	D107-N110 HydrophobicContact CB-CB 4Å; D107-N110 PolarHBondContact O-N 2.86Å; N110-D112 VanDerWaalsContact C-N 3.32Å; N110-D112 PolarHBondContact O-N 2.81Å; N110-D112 WeakPolarHBondContact OD1-CB 3.47Å; N110-D112 PolarHBondContact OD1-N 3.4Å; N110-D112 VanDerWaalsContact OD1-N 3.07Å; N110-S113 WeakPolarHBondContact O-CB 3.43Å; N110-S113 PolarHBondContact O-N 2.96Å; N110-S113 VanDerWaalsContact O-N 3.16Å; N110-S113 PolarHBondContact O-OG 3.22Å; N110-S113 PolarHBondContact OD1-N 3.35Å; N110-F114 PolarHBondContact O-N 2.93Å
111	Q	97.4	Very high	96.3	Very high	60 Å²	60	29.5 Å²	29.5	28%	0.28	15%	0.154	S	C	.	.	H	α-helix	trans	-59.5	-37.5	179.8	-168	65.6	43.7	0	0	113.3	S113 F114 N115 L148	Q111-S113 VanDerWaalsContact C-N 3.27Å; Q111-S113 PolarHBondContact O-N 3.39Å; Q111-F114 WeakPolarHBondContact O-CB 3.5Å; Q111-F114 PolarHBondContact O-N 2.91Å; Q111-F114 VanDerWaalsContact O-N 3.14Å; Q111-N115 PolarHBondContact NE2-OD1 2.87Å; Q111-N115 VanDerWaalsContact O-CG 3.22Å; Q111-N115 PolarHBondContact O-N 3.15Å; Q111-N115 PolarHBondContact O-ND2 3.29Å; Q111-L148 PolarHBondContact OE1-O 3.48Å
112	D	96.1	Very high	96.1	Very high	118 Å²	118	33.5 Å²	33.5	63%	0.631	18%	0.179	S	C	*	.	H	α-helix	trans	-65.5	-34.5	179.8	-68.3	-29.6	0	0	0	111.7	N110 F114 A116	N110-D112 VanDerWaalsContact C-N 3.32Å; N110-D112 PolarHBondContact O-N 2.81Å; N110-D112 WeakPolarHBondContact OD1-CB 3.47Å; N110-D112 PolarHBondContact OD1-N 3.4Å; N110-D112 VanDerWaalsContact OD1-N 3.07Å; D112-F114 VanDerWaalsContact C-N 3.31Å; D112-A116 WeakPolarHBondContact O-CB 3.29Å; D112-A116 PolarHBondContact O-N 3.43Å; D112-A116 VanDerWaalsContact O-N 3.12Å
113	S	96.4	Very high	95.7	Very high	2 Å²	2	35 Å²	35	1%	0.014	19%	0.185	C	C	.	.	H	α-helix	trans	-65.7	-35.8	174.5	82	0	0	0	0	112.4	D107 N110 Q111	D107-S113 PolarHBondContact N-OG 3.19Å; D107-S113 PolarHBondContact O-OG 2.73Å; N110-S113 WeakPolarHBondContact O-CB 3.43Å; N110-S113 PolarHBondContact O-N 2.96Å; N110-S113 VanDerWaalsContact O-N 3.16Å; N110-S113 PolarHBondContact O-OG 3.22Å; N110-S113 PolarHBondContact OD1-N 3.35Å; Q111-S113 VanDerWaalsContact C-N 3.27Å; Q111-S113 PolarHBondContact O-N 3.39Å
114	F	98.2	Very high	95.4	Very high	20 Å²	20	35.1 Å²	35.1	9%	0.088	19%	0.186	C	C	.	.	H	α-helix	trans	-71.9	-44.9	175.2	179.3	-106.1	0	0	0	111.9	Y106 N110 Q111 D112 A116 V117 V149 E153 L157	Y106-F114 HydrophobicContact CD1-CD2 4.1Å; Y106-F114 HydrophobicContact CD2-CB 3.92Å; Y106-F114 AromaticContact CD2-CD2 3.86Å; Y106-F114 HydrophobicContact CD2-CD2 3.86Å; Y106-F114 HydrophobicContact CD2-CG 4.36Å; Y106-F114 AromaticContact CE1-CD2 3.96Å; Y106-F114 HydrophobicContact CE1-CD2 3.96Å; Y106-F114 HydrophobicContact CE1-CE2 4.31Å; Y106-F114 HydrophobicContact CE2-CB 4.4Å; Y106-F114 AromaticContact CE2-CD2 3.74Å; Y106-F114 HydrophobicContact CE2-CD2 3.74Å; Y106-F114 HydrophobicContact CE2-CE2 4.5Å; Y106-F114 HydrophobicContact CE2-CG 4.45Å; Y106-F114 HydrophobicContact CG-CB 4.33Å; Y106-F114 HydrophobicContact CG-CD2 4.05Å; Y106-F114 AromaticContact CZ-CD2 3.78Å; N110-F114 PolarHBondContact O-N 2.93Å; Q111-F114 WeakPolarHBondContact O-CB 3.5Å; Q111-F114 PolarHBondContact O-N 2.91Å; Q111-F114 VanDerWaalsContact O-N 3.14Å; D112-F114 VanDerWaalsContact C-N 3.31Å; F114-A116 PolarHBondContact O-N 3.44Å; F114-V117 WeakPolarHBondContact O-CB 3.29Å; F114-V117 VanDerWaalsContact O-CG2 3.23Å; F114-V117 WeakPolarHBondContact O-CG2 3.44Å; F114-V117 PolarHBondContact O-N 3.19Å; F114-V149 HydrophobicContact CB-CG1 4.45Å; F114-V149 HydrophobicContact CB-CG2 3.78Å; F114-V149 HydrophobicContact CD1-CG1 4.18Å; F114-V149 HydrophobicContact CD1-CG2 4.5Å; F114-V149 HydrophobicContact CD2-CG1 3.81Å; F114-V149 HydrophobicContact CE1-CG1 4.34Å; F114-V149 HydrophobicContact CE2-CG1 4.01Å; F114-V149 HydrophobicContact CG-CG1 3.89Å; F114-V149 HydrophobicContact CG-CG2 4.08Å; F114-V149 HydrophobicContact CZ-CG1 4.26Å; F114-E153 HydrophobicContact CE1-CB 4.41Å; F114-E153 HydrophobicContact CZ-CB 4.09Å; F114-L157 HydrophobicContact CD2-CD2 4.16Å; F114-L157 HydrophobicContact CE1-CD2 4.27Å; F114-L157 HydrophobicContact CE2-CB 4.16Å; F114-L157 HydrophobicContact CE2-CD2 3.45Å; F114-L157 VanDerWaalsContact CE2-CD2 3.45Å; F114-L157 HydrophobicContact CE2-CG 4.44Å; F114-L157 HydrophobicContact CZ-CB 3.92Å; F114-L157 HydrophobicContact CZ-CD2 3.53Å; F114-L157 HydrophobicContact CZ-CG 4.35Å
115	N	96.2	Very high	95.1	Very high	90 Å²	90	41.3 Å²	41.3	48%	0.481	21%	0.213	S	C	.	.	H	α-helix	trans	-58.7	-34.7	177.2	-66.6	-19.1	0	0	0	111.9	Q111 V117	Q111-N115 PolarHBondContact NE2-OD1 2.87Å; Q111-N115 VanDerWaalsContact O-CG 3.22Å; Q111-N115 PolarHBondContact O-N 3.15Å; Q111-N115 PolarHBondContact O-ND2 3.29Å; N115-V117 VanDerWaalsContact C-N 3.25Å; N115-V117 PolarHBondContact O-N 3.26Å
116	A	94.4	Very high	94.8	Very high	17 Å²	17	45.3 Å²	45.3	14%	0.14	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-12.7	177.5	0	0	0	0	0	114.4	N34 D112 F114 Q118 D119 W120	N34-A116 WeakPolarHBondContact OD1-CB 3.22Å; D112-A116 WeakPolarHBondContact O-CB 3.29Å; D112-A116 PolarHBondContact O-N 3.43Å; D112-A116 VanDerWaalsContact O-N 3.12Å; F114-A116 PolarHBondContact O-N 3.44Å; A116-Q118 VanDerWaalsContact C-N 3.25Å; A116-Q118 PolarHBondContact O-N 3.05Å; A116-D119 WeakPolarHBondContact O-CB 3.48Å; A116-D119 PolarHBondContact O-N 3.48Å; A116-D119 VanDerWaalsContact O-N 3.16Å; A116-W120 PolarHBondContact O-N 3.27Å; A116-W120 VanDerWaalsContact O-N 3.09Å
117	V	95.4	Very high	94.3	Very high	1 Å²	1	51 Å²	51	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-57.2	-39.2	-178.7	169.3	0	0	0	0	111.5	L104 Y106 F114 N115 D119 W120 A121 L136 L157 L161	L104-V117 HydrophobicContact CD2-CG1 3.7Å; L104-V117 HydrophobicContact CG-CG1 4.18Å; Y106-V117 HydrophobicContact CD1-CG2 4.09Å; Y106-V117 HydrophobicContact CG-CG2 4.29Å; F114-V117 WeakPolarHBondContact O-CB 3.29Å; F114-V117 VanDerWaalsContact O-CG2 3.23Å; F114-V117 WeakPolarHBondContact O-CG2 3.44Å; F114-V117 PolarHBondContact O-N 3.19Å; N115-V117 VanDerWaalsContact C-N 3.25Å; N115-V117 PolarHBondContact O-N 3.26Å; V117-D119 PolarHBondContact O-N 2.95Å; V117-W120 PolarHBondContact O-N 3.22Å; V117-A121 WeakPolarHBondContact O-CB 3.23Å; V117-A121 PolarHBondContact O-N 2.98Å; V117-L136 HydrophobicContact CG1-CD1 3.6Å; V117-L136 HydrophobicContact CG2-CD1 4.08Å; V117-L157 HydrophobicContact CB-CD2 3.92Å; V117-L157 HydrophobicContact CG1-CD2 3.68Å; V117-L157 HydrophobicContact CG1-CG 4.44Å; V117-L161 HydrophobicContact CG1-CD1 4.07Å
118	Q	94.5	Very high	93.8	Very high	116 Å²	116	51.8 Å²	51.8	54%	0.542	27%	0.266	S	S	.	.	H	α-helix	trans	-65.6	-39.2	179.5	-66.3	-174.8	14	0	0	112.4	A116 A121 T122 L157	A116-Q118 VanDerWaalsContact C-N 3.25Å; A116-Q118 PolarHBondContact O-N 3.05Å; Q118-A121 PolarHBondContact O-N 3.46Å; Q118-T122 WeakPolarHBondContact O-CB 3.29Å; Q118-T122 PolarHBondContact O-N 2.92Å; Q118-T122 PolarHBondContact O-OG1 3.06Å; Q118-L157 HydrophobicContact CG-CD1 4.03Å
119	D	92.6	Very high	93	Very high	91 Å²	91	56.6 Å²	56.6	49%	0.487	28%	0.284	S	S	.	.	H	α-helix	trans	-64	-45.2	175.5	-73.1	-11.1	0	0	0	110.6	A116 V117 T122 Q123	A116-D119 WeakPolarHBondContact O-CB 3.48Å; A116-D119 PolarHBondContact O-N 3.48Å; A116-D119 VanDerWaalsContact O-N 3.16Å; V117-D119 PolarHBondContact O-N 2.95Å; D119-T122 WeakPolarHBondContact O-CB 3.2Å; D119-T122 PolarHBondContact O-N 3.03Å; D119-Q123 WeakPolarHBondContact O-CG 3.34Å; D119-Q123 PolarHBondContact O-N 3.02Å
120	W	92.4	Very high	92	Very high	16 Å²	16	63 Å²	63	6%	0.061	32%	0.317	C	S	.	.	H	α-helix	trans	-63.3	-42.1	176.1	-70.3	117.5	0	0	0	112.3	I32 N34 L104 A116 V117 T122 Q123 I124	I32-W120 HydrophobicContact CD1-CB 4.12Å; I32-W120 HydrophobicContact CD1-CE3 4.35Å; N34-W120 PolarHBondContact OD1-NE1 2.78Å; L104-W120 HydrophobicContact CD1-CB 3.44Å; L104-W120 VanDerWaalsContact CD1-CB 3.44Å; L104-W120 HydrophobicContact CD1-CG 3.96Å; L104-W120 HydrophobicContact CD2-CB 4.34Å; A116-W120 PolarHBondContact O-N 3.27Å; A116-W120 VanDerWaalsContact O-N 3.09Å; V117-W120 PolarHBondContact O-N 3.22Å; W120-T122 VanDerWaalsContact C-N 3.3Å; W120-T122 PolarHBondContact O-N 3.24Å; W120-Q123 VanDerWaalsContact CE3-OE1 3.3Å; W120-Q123 VanDerWaalsContact CZ3-OE1 3.23Å; W120-Q123 WeakPolarHBondContact O-CB 3.39Å; W120-Q123 PolarHBondContact O-N 3.44Å; W120-Q123 VanDerWaalsContact O-N 3.17Å; W120-I124 WeakPolarHBondContact O-CG1 3.5Å; W120-I124 PolarHBondContact O-N 2.77Å
121	A	93.1	Very high	91.4	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.008	32%	0.321	C	S	.	.	H	α-helix	trans	-61.4	-40.3	175.7	0	0	0	0	0	111.5	L104 V117 Q118 Q123 I124 K125 L161 F163	L104-A121 HydrophobicContact CD2-CB 4.22Å; V117-A121 WeakPolarHBondContact O-CB 3.23Å; V117-A121 PolarHBondContact O-N 2.98Å; Q118-A121 PolarHBondContact O-N 3.46Å; A121-Q123 VanDerWaalsContact C-N 3.34Å; A121-I124 PolarHBondContact O-N 3.48Å; A121-K125 WeakPolarHBondContact O-CG 3.14Å; A121-K125 PolarHBondContact O-N 3.27Å; A121-L161 HydrophobicContact CB-CD1 4.09Å; A121-L161 HydrophobicContact CB-CD2 4.12Å; A121-F163 HydrophobicContact CB-CE2 3.88Å; A121-F163 HydrophobicContact CB-CZ 4.08Å
122	T	91.9	Very high	91.1	Very high	84 Å²	84	61.8 Å²	61.8	52%	0.515	31%	0.314	S	S	.	.	H	α-helix	trans	-62.2	-42.5	174.5	-58.4	0	0	0	0	110.9	Q118 D119 W120 K125 T126	Q118-T122 WeakPolarHBondContact O-CB 3.29Å; Q118-T122 PolarHBondContact O-N 2.92Å; Q118-T122 PolarHBondContact O-OG1 3.06Å; D119-T122 WeakPolarHBondContact O-CB 3.2Å; D119-T122 PolarHBondContact O-N 3.03Å; W120-T122 VanDerWaalsContact C-N 3.3Å; W120-T122 PolarHBondContact O-N 3.24Å; T122-K125 PolarHBondContact O-N 2.72Å; T122-T126 WeakPolarHBondContact O-CB 3.48Å; T122-T126 PolarHBondContact O-N 3.04Å; T122-T126 PolarHBondContact O-OG1 3.46Å
123	Q	89.9	Confident	91.2	Very high	31 Å²	31	58 Å²	58	15%	0.145	29%	0.293	C	S	.	.	H	α-helix	trans	-63.1	-43.1	175.3	-69.8	-178.7	10.9	0	0	112.5	Y96 D119 W120 A121 K125 T126 Y127	Y96-Q123 HydrophobicContact CE2-CB 4.42Å; Y96-Q123 PolarHBondContact OH-OE1 2.73Å; D119-Q123 WeakPolarHBondContact O-CG 3.34Å; D119-Q123 PolarHBondContact O-N 3.02Å; W120-Q123 VanDerWaalsContact CE3-OE1 3.3Å; W120-Q123 VanDerWaalsContact CZ3-OE1 3.23Å; W120-Q123 WeakPolarHBondContact O-CB 3.39Å; W120-Q123 PolarHBondContact O-N 3.44Å; W120-Q123 VanDerWaalsContact O-N 3.17Å; A121-Q123 VanDerWaalsContact C-N 3.34Å; Q123-K125 PolarHBondContact O-N 2.89Å; Q123-T126 PolarHBondContact O-N 3.39Å; Q123-Y127 HydrophobicContact CB-CD2 4.16Å; Q123-Y127 HydrophobicContact CB-CE2 4.37Å; Q123-Y127 HydrophobicContact CG-CE2 4.3Å; Q123-Y127 VanDerWaalsContact O-CD2 3.24Å; Q123-Y127 WeakPolarHBondContact O-CD2 3.32Å; Q123-Y127 PolarHBondContact O-N 3.16Å
124	I	91.2	Very high	91.2	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-56.4	-53.6	174.1	-65.2	164.4	0	0	0	109.6	I32 Y96 F102 L104 W120 A121 T126 Y127 S128 V134	I32-I124 HydrophobicContact CD1-CD1 3.37Å; I32-I124 HydrophobicContact CD1-CG1 3.49Å; I32-I124 VanDerWaalsContact CD1-CG1 3.49Å; I32-I124 HydrophobicContact CG1-CD1 4.36Å; Y96-I124 HydrophobicContact CD2-CG1 4.37Å; Y96-I124 HydrophobicContact CE2-CB 4.3Å; Y96-I124 HydrophobicContact CE2-CG1 3.73Å; F102-I124 HydrophobicContact CB-CD1 4.02Å; F102-I124 HydrophobicContact CD1-CD1 4.21Å; F102-I124 HydrophobicContact CD1-CG1 3.95Å; F102-I124 HydrophobicContact CD2-CG2 3.91Å; F102-I124 HydrophobicContact CE1-CG1 4.23Å; F102-I124 HydrophobicContact CE2-CG2 3.96Å; F102-I124 HydrophobicContact CG-CD1 4.1Å; F102-I124 HydrophobicContact CG-CG1 4.16Å; F102-I124 HydrophobicContact CG-CG2 4.24Å; F102-I124 HydrophobicContact CZ-CG2 4.3Å; L104-I124 HydrophobicContact CD2-CD1 4.37Å; W120-I124 WeakPolarHBondContact O-CG1 3.5Å; W120-I124 PolarHBondContact O-N 2.77Å; A121-I124 PolarHBondContact O-N 3.48Å; I124-T126 PolarHBondContact O-N 3.37Å; I124-Y127 PolarHBondContact O-N 2.95Å; I124-S128 WeakPolarHBondContact CG2-OG 3.35Å; I124-S128 WeakPolarHBondContact O-CB 3.49Å; I124-S128 PolarHBondContact O-N 3.22Å; I124-S128 PolarHBondContact O-OG 2.88Å; I124-V134 HydrophobicContact CD1-CG1 3.99Å; I124-V134 HydrophobicContact CD1-CG2 4.2Å; I124-V134 HydrophobicContact CG2-CG2 3.96Å
125	K	90	Very high	91.2	Very high	129 Å²	129	57.9 Å²	57.9	56%	0.561	29%	0.294	S	S	*	.	H	α-helix	trans	-59.9	-29.5	-179.7	-70.4	177.1	-179.6	-179.6	0	113	A121 T122 Q123	A121-K125 WeakPolarHBondContact O-CG 3.14Å; A121-K125 PolarHBondContact O-N 3.27Å; T122-K125 PolarHBondContact O-N 2.72Å; Q123-K125 PolarHBondContact O-N 2.89Å
126	T	90.4	Very high	91.3	Very high	86 Å²	86	53.6 Å²	53.6	53%	0.528	27%	0.271	S	S	.	.	H	α-helix	trans	-83.2	-39.5	-177.8	-53.8	0	0	0	0	113.2	T122 Q123 I124	T122-T126 WeakPolarHBondContact O-CB 3.48Å; T122-T126 PolarHBondContact O-N 3.04Å; T122-T126 PolarHBondContact O-OG1 3.46Å; Q123-T126 PolarHBondContact O-N 3.39Å; I124-T126 PolarHBondContact O-N 3.37Å
127	Y	88.3	Confident	91.5	Very high	120 Å²	120	52.8 Å²	52.8	47%	0.471	26%	0.264	S	S	.	.	H	α-helix	trans	-113.6	-11.9	-167.3	-58.4	-63	0	0	0	114.4	T93 Q123 I124	T93-Y127 HydrophobicContact CG2-CD2 3.65Å; T93-Y127 HydrophobicContact CG2-CE2 3.63Å; T93-Y127 HydrophobicContact CG2-CG 4.14Å; Q123-Y127 HydrophobicContact CB-CD2 4.16Å; Q123-Y127 HydrophobicContact CB-CE2 4.37Å; Q123-Y127 HydrophobicContact CG-CE2 4.3Å; Q123-Y127 VanDerWaalsContact O-CD2 3.24Å; Q123-Y127 WeakPolarHBondContact O-CD2 3.32Å; Q123-Y127 PolarHBondContact O-N 3.16Å; I124-Y127 PolarHBondContact O-N 2.95Å
128	S	86.9	Confident	91.7	Very high	20 Å²	20	52.8 Å²	52.8	14%	0.14	26%	0.264	C	S	.	.	S	Bend	trans	-89.5	168.9	173.1	77.9	0	0	0	0	111.3	I124	I124-S128 WeakPolarHBondContact CG2-OG 3.35Å; I124-S128 WeakPolarHBondContact O-CB 3.49Å; I124-S128 PolarHBondContact O-N 3.22Å; I124-S128 PolarHBondContact O-OG 2.88Å
129	W	80.9	Confident	91.9	Very high	102 Å²	102	47.3 Å²	47.3	39%	0.386	24%	0.239	S	C	.	.			trans	-76.2	151	169.1	66.8	-36.7	0	0	0	111.7	A99 M100 N131 A132	A99-W129 PolarHBondContact O-NE1 2.87Å; M100-W129 HydrophobicContact CB-CZ2 4Å; M100-W129 HydrophobicContact CE-CH2 3.91Å; M100-W129 HydrophobicContact CE-CZ2 4.03Å; M100-W129 HydrophobicContact CG-CZ2 3.88Å; W129-N131 HydrophobicContact CD2-CB 4.3Å; W129-N131 HydrophobicContact CE3-CB 4.13Å; W129-N131 HydrophobicContact CH2-CB 4.17Å; W129-N131 HydrophobicContact CZ2-CB 4.32Å; W129-N131 HydrophobicContact CZ3-CB 4.07Å; W129-N131 PolarHBondContact O-N 3.46Å; W129-A132 WeakPolarHBondContact O-CB 3.16Å; W129-A132 PolarHBondContact O-N 2.96Å
130	D	79.1	Confident	92.1	Very high	166 Å²	166	45.2 Å²	45.2	89%	0.888	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-24.5	-172.3	-61.5	-23	0	0	0	114.9
131	N	83.4	Confident	92.4	Very high	67 Å²	67	45.4 Å²	45.4	36%	0.358	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	9.3	-178.3	-71.4	-34.6	0	0	0	114.1	W129 Q133	W129-N131 HydrophobicContact CD2-CB 4.3Å; W129-N131 HydrophobicContact CE3-CB 4.13Å; W129-N131 HydrophobicContact CH2-CB 4.17Å; W129-N131 HydrophobicContact CZ2-CB 4.32Å; W129-N131 HydrophobicContact CZ3-CB 4.07Å; W129-N131 PolarHBondContact O-N 3.46Å; N131-Q133 PolarHBondContact O-N 2.92Å; N131-Q133 PolarHBondContact O-NE2 2.53Å
132	A	92.5	Very high	92.6	Very high	16 Å²	16	47.6 Å²	47.6	13%	0.132	24%	0.239	C	C	.	.			trans	-61.6	129.1	175.6	0	0	0	0	0	111.7	F102 W129	F102-A132 HydrophobicContact CD2-CB 3.95Å; F102-A132 HydrophobicContact CE2-CB 3.64Å; W129-A132 WeakPolarHBondContact O-CB 3.16Å; W129-A132 PolarHBondContact O-N 2.96Å
133	Q	96.4	Very high	92.8	Very high	39 Å²	39	46 Å²	46	18%	0.182	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	139.6	176.7	-56.8	-52.9	-55.1	0	0	110.4	M100 G101 F102 N131 L183 V186 I187	M100-Q133 PolarHBondContact O-N 2.8Å; G101-Q133 CarbonylContact C-O 3.52Å; G101-Q133 VanDerWaalsContact CA-O 3.24Å; G101-Q133 WeakPolarHBondContact CA-O 3.29Å; F102-Q133 PolarHBondContact N-O 2.96Å; N131-Q133 PolarHBondContact O-N 2.92Å; N131-Q133 PolarHBondContact O-NE2 2.53Å; Q133-L183 HydrophobicContact CB-CD1 3.96Å; Q133-V186 HydrophobicContact CB-CG1 4.09Å; Q133-V186 HydrophobicContact CG-CG1 3.81Å; Q133-I187 HydrophobicContact CB-CG1 3.89Å; Q133-I187 HydrophobicContact CG-CG1 3.79Å
134	V	96.9	Very high	93.2	Very high	18 Å²	18	49.6 Å²	49.6	11%	0.109	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	133.1	-176.9	-169.9	0	0	0	0	110.1	F102 L104 I124 F163	F102-V134 HydrophobicContact CB-CG1 4.22Å; F102-V134 HydrophobicContact CB-CG2 4.21Å; F102-V134 HydrophobicContact CD2-CG2 4.45Å; F102-V134 WeakPolarHBondContact O-CA 3.38Å; L104-V134 HydrophobicContact CB-CG1 4.11Å; I124-V134 HydrophobicContact CD1-CG1 3.99Å; I124-V134 HydrophobicContact CD1-CG2 4.2Å; I124-V134 HydrophobicContact CG2-CG2 3.96Å; V134-F163 HydrophobicContact CB-CD1 3.73Å; V134-F163 HydrophobicContact CB-CD2 4.28Å; V134-F163 HydrophobicContact CB-CE1 3.74Å; V134-F163 HydrophobicContact CB-CE2 4.27Å; V134-F163 HydrophobicContact CB-CG 4.02Å; V134-F163 HydrophobicContact CB-CZ 4.01Å; V134-F163 HydrophobicContact CG1-CD1 4.17Å; V134-F163 HydrophobicContact CG1-CD2 3.79Å; V134-F163 HydrophobicContact CG1-CE1 4.14Å; V134-F163 HydrophobicContact CG1-CE2 3.73Å; V134-F163 HydrophobicContact CG1-CG 4.02Å; V134-F163 HydrophobicContact CG1-CZ 3.92Å; V134-F163 HydrophobicContact CG2-CD1 4.4Å; V134-F163 HydrophobicContact CG2-CE1 3.94Å; V134-F163 HydrophobicContact CG2-CZ 4.13Å
135	I	98.5	Very high	93.5	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.2	167.6	-61.3	-171.8	0	0	0	108.3	F102 L103 L104 V137 Q164 F166 V179 R182 L183	F102-I135 PolarHBondContact O-N 3.28Å; L103-I135 HydrophobicContact CD2-CB 4.02Å; L104-I135 PolarHBondContact N-O 3.37Å; I135-V137 HydrophobicContact CG2-CG2 4.12Å; I135-Q164 HydrophobicContact CG1-CB 4.3Å; I135-F166 HydrophobicContact CD1-CE2 4.42Å; I135-F166 HydrophobicContact CG2-CD2 3.68Å; I135-F166 HydrophobicContact CG2-CE2 4.19Å; I135-V179 HydrophobicContact CG2-CG1 4.41Å; I135-R182 HydrophobicContact CD1-CB 4.11Å; I135-R182 HydrophobicContact CD1-CG 4.04Å; I135-L183 HydrophobicContact CD1-CB 3.78Å; I135-L183 HydrophobicContact CD1-CD1 4.41Å; I135-L183 HydrophobicContact CG1-CB 4.45Å; I135-L183 HydrophobicContact CG1-CD1 4.23Å
136	L	98.7	Very high	93.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	131.9	170.3	-176.8	64.5	0	0	0	109.5	L104 Y106 V117 A158 Q164 F165 F166	L104-L136 HydrophobicContact CB-CD1 4.41Å; L104-L136 HydrophobicContact CD2-CD1 4.32Å; L104-L136 HydrophobicContact CG-CD1 3.94Å; L104-L136 CarbonylContact O-C 3.58Å; L104-L136 WeakPolarHBondContact O-CA 3.34Å; L104-L136 WeakPolarHBondContact O-CD1 3.36Å; Y106-L136 HydrophobicContact CD1-CD1 3.91Å; Y106-L136 HydrophobicContact CD1-CG 4.34Å; Y106-L136 HydrophobicContact CE1-CD1 4.15Å; Y106-L136 HydrophobicContact CE1-CD2 4.24Å; Y106-L136 HydrophobicContact CE1-CG 4.09Å; V117-L136 HydrophobicContact CG1-CD1 3.6Å; V117-L136 HydrophobicContact CG2-CD1 4.08Å; L136-A158 HydrophobicContact CB-CB 4.3Å; L136-A158 HydrophobicContact CD2-CB 3.91Å; L136-Q164 PolarHBondContact N-O 3.34Å; L136-F165 HydrophobicContact CB-CD2 4.12Å; L136-F165 HydrophobicContact CD2-CD2 3.94Å; L136-F165 HydrophobicContact CD2-CE2 4.37Å; L136-F165 HydrophobicContact CG-CD2 3.91Å; L136-F165 HydrophobicContact CG-CE2 4.35Å; L136-F165 WeakPolarHBondContact O-CA 3.17Å; L136-F166 PolarHBondContact O-N 3.5Å
137	V	98.8	Very high	94.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	115	-177.9	-173.7	0	0	0	0	110.1	F42 L103 L104 M105 Y106 I135 N139 F166 A168 V179	F42-V137 HydrophobicContact CE2-CG1 4.4Å; F42-V137 HydrophobicContact CZ-CG1 4.35Å; L103-V137 HydrophobicContact CD2-CG2 4.41Å; L104-V137 PolarHBondContact O-N 3.47Å; M105-V137 WeakPolarHBondContact CA-O 3.43Å; M105-V137 HydrophobicContact CG-CB 4.29Å; M105-V137 HydrophobicContact CG-CG1 4.44Å; Y106-V137 WeakPolarHBondContact CD1-O 3.27Å; Y106-V137 PolarHBondContact N-O 2.86Å; I135-V137 HydrophobicContact CG2-CG2 4.12Å; V137-N139 PolarHBondContact O-N 2.84Å; V137-F166 CarbonylContact C-O 3.6Å; V137-F166 VanDerWaalsContact CA-O 3.29Å; V137-F166 WeakPolarHBondContact CA-O 3.42Å; V137-A168 HydrophobicContact CG1-CB 3.92Å; V137-V179 HydrophobicContact CG2-CG1 3.81Å; V137-V179 HydrophobicContact CG2-CG2 4.37Å
138	G	98.7	Very high	94.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	99.3	165.2	0	0	0	0	0	109.4	F166 E167 A168	G138-F166 PolarHBondContact N-O 2.68Å; G138-E167 CarbonylContact O-C 3.42Å; G138-E167 VanDerWaalsContact O-CA 3.23Å; G138-E167 WeakPolarHBondContact O-CA 3.16Å; G138-A168 PolarHBondContact O-N 2.92Å
139	N	98.5	Very high	95.3	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.011	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	164.9	-177.4	-169.7	39	0	0	0	111.4	V37 M105 Y106 I108 V137 A168 A170	V37-N139 PolarHBondContact O-ND2 2.87Å; M105-N139 HydrophobicContact CG-CB 3.8Å; M105-N139 HydrophobicContact SD-CB 3.81Å; Y106-N139 PolarHBondContact O-N 2.62Å; I108-N139 PolarHBondContact N-O 3.06Å; I108-N139 VanDerWaalsContact N-O 3.1Å; V137-N139 PolarHBondContact O-N 2.84Å; N139-A168 CarbonylContact C-O 3.52Å; N139-A168 VanDerWaalsContact CA-O 3.29Å; N139-A168 WeakPolarHBondContact CA-O 3.44Å; N139-A168 PolarHBondContact OD1-O 3.39Å; N139-A170 PolarHBondContact OD1-N 3.17Å
140	K	97.9	Very high	96.1	Very high	47 Å²	47	50.1 Å²	50.1	20%	0.204	26%	0.263	C	S	.	.			trans	71	33.2	-178.3	-47.5	-169.2	-166.2	165.6	0	114.4	S36 D107 I108 E142 L143 A168	S36-K140 WeakPolarHBondContact O-CE 3.23Å; S36-K140 PolarHBondContact O-NZ 3.48Å; D107-K140 WeakPolarHBondContact OD2-CD 3.49Å; D107-K140 WeakPolarHBondContact OD2-CE 3.48Å; D107-K140 IonicContact OD2-NZ 2.66Å; D107-K140 PolarHBondContact OD2-NZ 3.29Å; I108-K140 WeakPolarHBondContact CD1-O 3.24Å; I108-K140 WeakPolarHBondContact CG1-O 3.47Å; K140-E142 WeakPolarHBondContact CA-OE2 3.33Å; K140-E142 PolarHBondContact O-N 3.26Å; K140-L143 HydrophobicContact CB-CD1 4.12Å; K140-L143 HydrophobicContact CB-CG 4.49Å; K140-L143 HydrophobicContact CD-CD1 4.18Å; K140-L143 WeakPolarHBondContact O-CB 3.37Å; K140-L143 PolarHBondContact O-N 3.47Å; K140-A168 PolarHBondContact N-O 2.95Å
141	C	98.1	Very high	97	Very high	20 Å²	20	44.7 Å²	44.7	14%	0.135	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-7.8	179.3	68.9	0	0	0	0	114.8	I108 L143 E167 A168	I108-C141 HydrophobicContact CD1-CB 4.44Å; C141-L143 PolarHBondContact O-N 2.93Å; C141-E167 HydrophobicContact CB-CB 4.09Å; C141-A168 PolarHBondContact N-O 3.24Å; C141-A168 VanDerWaalsContact N-O 3.16Å; C141-A168 PolarHBondContact SG-O 3.37Å; C141-A168 VanDerWaalsContact SG-O 3.37Å
142	E	97.4	Very high	97.7	Very high	46 Å²	46	48.2 Å²	48.2	22%	0.215	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-15.2	168.7	76.8	-80.3	-168.8	0	0	113.8	K140 E144 S169 K171 D172	K140-E142 WeakPolarHBondContact CA-OE2 3.33Å; K140-E142 PolarHBondContact O-N 3.26Å; E142-E144 VanDerWaalsContact C-N 3.33Å; E142-E144 PolarHBondContact O-N 2.85Å; E142-S169 VanDerWaalsContact CD-OG 3.24Å; E142-S169 WeakPolarHBondContact OE2-CB 3.23Å; E142-S169 PolarHBondContact OE2-OG 3.5Å; E142-K171 HydrophobicContact CG-CB 4.47Å; E142-K171 HydrophobicContact CG-CD 4.03Å; E142-D172 VanDerWaalsContact CB-OD2 3.22Å; E142-D172 WeakPolarHBondContact CB-OD2 3.38Å
143	L	96.9	Very high	98	Very high	51 Å²	51	51.8 Å²	51.8	27%	0.267	26%	0.264	S	S	.	.			trans	-96.5	50.6	-179	-59.8	178.1	0	0	0	111.3	T109 K140 C141 D145 D146 R147	T109-L143 HydrophobicContact CG2-CB 3.56Å; T109-L143 HydrophobicContact CG2-CD1 3.84Å; T109-L143 HydrophobicContact CG2-CG 4.36Å; K140-L143 HydrophobicContact CB-CD1 4.12Å; K140-L143 HydrophobicContact CB-CG 4.49Å; K140-L143 HydrophobicContact CD-CD1 4.18Å; K140-L143 WeakPolarHBondContact O-CB 3.37Å; K140-L143 PolarHBondContact O-N 3.47Å; C141-L143 PolarHBondContact O-N 2.93Å; L143-D145 VanDerWaalsContact C-N 3.29Å; L143-D145 PolarHBondContact O-N 3.33Å; L143-D146 HydrophobicContact CB-CB 4.44Å; L143-D146 CarbonylContact O-C 3.55Å; L143-D146 PolarHBondContact O-N 2.98Å; L143-D146 VanDerWaalsContact O-N 3.12Å; L143-R147 PolarHBondContact O-N 3.22Å
144	E	96.8	Very high	98.1	Very high	107 Å²	107	49.9 Å²	49.9	50%	0.5	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-60.9	-37.2	-175.9	-169.3	59.7	-146.8	0	0	112.7	E142 D146 R147	E142-E144 VanDerWaalsContact C-N 3.33Å; E142-E144 PolarHBondContact O-N 2.85Å; E144-D146 PolarHBondContact O-N 3.4Å; E144-R147 VanDerWaalsContact CD-NE 3.26Å; E144-R147 VanDerWaalsContact O-CB 3.24Å; E144-R147 WeakPolarHBondContact O-CB 3.24Å; E144-R147 PolarHBondContact O-N 2.94Å; E144-R147 IonicContact OE1-CZ 3.85Å; E144-R147 IonicContact OE1-NE 3.79Å; E144-R147 PolarHBondContact OE1-NE 2.94Å; E144-R147 IonicContact OE1-NH2 3.02Å; E144-R147 IonicContact OE2-CZ 2.73Å; E144-R147 VanDerWaalsContact OE2-CZ 3.3Å; E144-R147 IonicContact OE2-NE 3.3Å; E144-R147 PolarHBondContact OE2-NE 2.83Å; E144-R147 IonicContact OE2-NH2 3.59Å; E144-R147 PolarHBondContact OE2-NH2 3.08Å
145	D	97.8	Very high	98.1	Very high	167 Å²	167	52.7 Å²	52.7	89%	0.893	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-66.6	-24	178.9	-65.9	-33.9	0	0	0	113	L143	L143-D145 VanDerWaalsContact C-N 3.29Å; L143-D145 PolarHBondContact O-N 3.33Å
146	D	98	Very high	98.1	Very high	106 Å²	106	60.8 Å²	60.8	57%	0.567	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-103.3	10.2	179.6	-63.6	-48.8	0	0	0	112.2	T109 L143 E144 L148	T109-D146 HydrophobicContact CG2-CB 3.93Å; L143-D146 HydrophobicContact CB-CB 4.44Å; L143-D146 CarbonylContact O-C 3.55Å; L143-D146 PolarHBondContact O-N 2.98Å; L143-D146 VanDerWaalsContact O-N 3.12Å; E144-D146 PolarHBondContact O-N 3.4Å; D146-L148 PolarHBondContact O-N 3.21Å
147	R	98.5	Very high	98.1	Very high	44 Å²	44	61.6 Å²	61.6	17%	0.166	30%	0.301	C	S	.	.			trans	-60.5	124.4	-177.5	179.2	-178.8	-70.1	-84.7	5.8	110.8	I108 L143 E144 V149 T151 E167	I108-R147 HydrophobicContact CD1-CB 4.33Å; I108-R147 HydrophobicContact CD1-CG 4.33Å; L143-R147 PolarHBondContact O-N 3.22Å; E144-R147 VanDerWaalsContact CD-NE 3.26Å; E144-R147 VanDerWaalsContact O-CB 3.24Å; E144-R147 WeakPolarHBondContact O-CB 3.24Å; E144-R147 PolarHBondContact O-N 2.94Å; E144-R147 IonicContact OE1-CZ 3.85Å; E144-R147 IonicContact OE1-NE 3.79Å; E144-R147 PolarHBondContact OE1-NE 2.94Å; E144-R147 IonicContact OE1-NH2 3.02Å; E144-R147 IonicContact OE2-CZ 2.73Å; E144-R147 VanDerWaalsContact OE2-CZ 3.3Å; E144-R147 IonicContact OE2-NE 3.3Å; E144-R147 PolarHBondContact OE2-NE 2.83Å; E144-R147 IonicContact OE2-NH2 3.59Å; E144-R147 PolarHBondContact OE2-NH2 3.08Å; R147-V149 WeakPolarHBondContact CD-O 3.21Å; R147-V149 WeakPolarHBondContact CG-O 3.18Å; R147-V149 PolarHBondContact NH1-O 2.93Å; R147-T151 PolarHBondContact NH1-OG1 3.27Å; R147-E167 IonicContact CZ-OE1 3.48Å; R147-E167 IonicContact CZ-OE2 2.77Å; R147-E167 IonicContact NH1-OE1 2.68Å; R147-E167 PolarHBondContact NH1-OE1 2.84Å; R147-E167 IonicContact NH1-OE2 3.5Å; R147-E167 IonicContact NH2-OE1 2.72Å; R147-E167 PolarHBondContact NH2-OE1 3.22Å; R147-E167 IonicContact NH2-OE2 3.56Å; R147-E167 PolarHBondContact NH2-OE2 2.84Å
148	L	98.4	Very high	98.1	Very high	104 Å²	104	61.6 Å²	61.6	55%	0.545	30%	0.301	S	S	.	.			trans	-105.1	-28.2	171.6	-63.1	-172.5	0	0	0	112.3	I108 T109 Q111 D146	I108-L148 PolarHBondContact O-N 3.19Å; T109-L148 WeakPolarHBondContact O-CD1 3.48Å; Q111-L148 PolarHBondContact OE1-O 3.48Å; D146-L148 PolarHBondContact O-N 3.21Å
149	V	98.4	Very high	98	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.328	C	S	.	.	S	Bend	trans	-106	111.8	-179.5	-174.6	0	0	0	0	109.4	Y106 I108 F114 R147 E153	Y106-V149 HydrophobicContact CE2-CB 4.09Å; Y106-V149 HydrophobicContact CE2-CG1 3.84Å; Y106-V149 HydrophobicContact CE2-CG2 4.3Å; I108-V149 PolarHBondContact O-N 2.94Å; F114-V149 HydrophobicContact CB-CG1 4.45Å; F114-V149 HydrophobicContact CB-CG2 3.78Å; F114-V149 HydrophobicContact CD1-CG1 4.18Å; F114-V149 HydrophobicContact CD1-CG2 4.5Å; F114-V149 HydrophobicContact CD2-CG1 3.81Å; F114-V149 HydrophobicContact CE1-CG1 4.34Å; F114-V149 HydrophobicContact CE2-CG1 4.01Å; F114-V149 HydrophobicContact CG-CG1 3.89Å; F114-V149 HydrophobicContact CG-CG2 4.08Å; F114-V149 HydrophobicContact CZ-CG1 4.26Å; R147-V149 WeakPolarHBondContact CD-O 3.21Å; R147-V149 WeakPolarHBondContact CG-O 3.18Å; R147-V149 PolarHBondContact NH1-O 2.93Å; V149-E153 HydrophobicContact CG1-CB 4.37Å
150	P	98.3	Very high	98	Very high	51 Å²	51	73 Å²	73	33%	0.331	36%	0.359	S	S	.	.			trans	-60.8	143.5	173.2	-21.6	33.3	0	0	0	111.7	E152 E153 G154	P150-E152 WeakPolarHBondContact CB-OE2 3.14Å; P150-E152 PolarHBondContact O-N 3.01Å; P150-E153 HydrophobicContact CB-CG 4.28Å; P150-E153 HydrophobicContact CG-CG 4.2Å; P150-E153 PolarHBondContact O-N 3.2Å; P150-G154 PolarHBondContact O-N 3.29Å
151	T	98.2	Very high	97.9	Very high	52 Å²	52	72.3 Å²	72.3	32%	0.319	36%	0.357	S	S	.	.	H	α-helix	trans	-56.5	-35.4	178.3	-56.4	0	0	0	0	111.7	R147 E153 G154 Q155 F165 E167	R147-T151 PolarHBondContact NH1-OG1 3.27Å; T151-E153 VanDerWaalsContact C-N 3.32Å; T151-E153 PolarHBondContact O-N 2.8Å; T151-G154 PolarHBondContact O-N 2.68Å; T151-Q155 WeakPolarHBondContact O-CB 3.41Å; T151-Q155 PolarHBondContact O-N 3.39Å; T151-F165 HydrophobicContact CG2-CE1 4.02Å; T151-E167 WeakPolarHBondContact CA-OE1 3.5Å; T151-E167 WeakPolarHBondContact CB-OE1 3.48Å; T151-E167 HydrophobicContact CG2-CG 4.34Å; T151-E167 VanDerWaalsContact OG1-CD 3.26Å; T151-E167 PolarHBondContact OG1-OE1 3.27Å; T151-E167 PolarHBondContact OG1-OE2 3.31Å
152	E	98.3	Very high	97.8	Very high	141 Å²	141	74.5 Å²	74.5	66%	0.659	38%	0.383	S	S	*	.	H	α-helix	trans	-64.7	-33.8	178	-60.7	77.8	-170.4	0	0	112.6	P150 R156	P150-E152 WeakPolarHBondContact CB-OE2 3.14Å; P150-E152 PolarHBondContact O-N 3.01Å; E152-R156 VanDerWaalsContact O-CB 3.25Å; E152-R156 WeakPolarHBondContact O-CB 3.48Å; E152-R156 PolarHBondContact O-N 3.34Å
153	E	98.1	Very high	97.7	Very high	90 Å²	90	73.7 Å²	73.7	42%	0.421	38%	0.379	S	S	.	.	H	α-helix	trans	-69.9	-40.9	175.2	-67.2	-158.1	138.2	0	0	111.2	F114 V149 P150 T151 R156 L157	F114-E153 HydrophobicContact CE1-CB 4.41Å; F114-E153 HydrophobicContact CZ-CB 4.09Å; V149-E153 HydrophobicContact CG1-CB 4.37Å; P150-E153 HydrophobicContact CB-CG 4.28Å; P150-E153 HydrophobicContact CG-CG 4.2Å; P150-E153 PolarHBondContact O-N 3.2Å; T151-E153 VanDerWaalsContact C-N 3.32Å; T151-E153 PolarHBondContact O-N 2.8Å; E153-R156 PolarHBondContact O-N 3.12Å; E153-L157 WeakPolarHBondContact O-CB 3.45Å; E153-L157 PolarHBondContact O-N 3.1Å
154	G	98.2	Very high	97.8	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-58.3	-47.9	172.5	0	0	0	0	0	112.6	P150 T151 L157 A158	P150-G154 PolarHBondContact O-N 3.29Å; T151-G154 PolarHBondContact O-N 2.68Å; G154-L157 PolarHBondContact O-N 2.83Å; G154-A158 WeakPolarHBondContact O-CB 3.28Å; G154-A158 PolarHBondContact O-N 2.84Å
155	Q	98.4	Very high	97.9	Very high	77 Å²	77	70.3 Å²	70.3	36%	0.36	36%	0.361	S	S	.	.	H	α-helix	trans	-61.9	-48.4	177.5	-178.9	61.4	38	0	0	111.5	T151 L157 A158 E159 F165	T151-Q155 WeakPolarHBondContact O-CB 3.41Å; T151-Q155 PolarHBondContact O-N 3.39Å; Q155-L157 PolarHBondContact O-N 2.96Å; Q155-A158 WeakPolarHBondContact O-CB 3.35Å; Q155-A158 PolarHBondContact O-N 3.33Å; Q155-E159 WeakPolarHBondContact CG-OE1 3.39Å; Q155-E159 PolarHBondContact NE2-OE1 3.43Å; Q155-E159 WeakPolarHBondContact O-CG 3.48Å; Q155-E159 PolarHBondContact O-N 3.27Å; Q155-F165 HydrophobicContact CB-CD1 4.01Å; Q155-F165 HydrophobicContact CB-CE1 4.38Å
156	R	98.6	Very high	97.9	Very high	172 Å²	172	64.7 Å²	64.7	65%	0.649	33%	0.329	S	S	*	.	H	α-helix	trans	-61.2	-44.3	179.2	-176.4	-179.8	178.1	178.8	1.8	112	E152 E153 A158 E159 D160	E152-R156 VanDerWaalsContact O-CB 3.25Å; E152-R156 WeakPolarHBondContact O-CB 3.48Å; E152-R156 PolarHBondContact O-N 3.34Å; E153-R156 PolarHBondContact O-N 3.12Å; R156-A158 VanDerWaalsContact C-N 3.31Å; R156-A158 PolarHBondContact O-N 3.33Å; R156-E159 PolarHBondContact O-N 2.98Å; R156-D160 PolarHBondContact O-N 3Å
157	L	98.2	Very high	97.9	Very high	16 Å²	16	61 Å²	61	8%	0.084	31%	0.309	C	S	.	.	H	α-helix	trans	-63.4	-39.4	177.8	-179.2	60.1	0	0	0	111.5	F114 V117 Q118 E153 G154 Q155 D160 L161	F114-L157 HydrophobicContact CD2-CD2 4.16Å; F114-L157 HydrophobicContact CE1-CD2 4.27Å; F114-L157 HydrophobicContact CE2-CB 4.16Å; F114-L157 HydrophobicContact CE2-CD2 3.45Å; F114-L157 VanDerWaalsContact CE2-CD2 3.45Å; F114-L157 HydrophobicContact CE2-CG 4.44Å; F114-L157 HydrophobicContact CZ-CB 3.92Å; F114-L157 HydrophobicContact CZ-CD2 3.53Å; F114-L157 HydrophobicContact CZ-CG 4.35Å; V117-L157 HydrophobicContact CB-CD2 3.92Å; V117-L157 HydrophobicContact CG1-CD2 3.68Å; V117-L157 HydrophobicContact CG1-CG 4.44Å; Q118-L157 HydrophobicContact CG-CD1 4.03Å; E153-L157 WeakPolarHBondContact O-CB 3.45Å; E153-L157 PolarHBondContact O-N 3.1Å; G154-L157 PolarHBondContact O-N 2.83Å; Q155-L157 PolarHBondContact O-N 2.96Å; L157-D160 PolarHBondContact O-N 3.28Å; L157-L161 HydrophobicContact CD1-CD1 3.92Å; L157-L161 HydrophobicContact CD1-CG 4.15Å; L157-L161 HydrophobicContact CG-CD1 3.91Å; L157-L161 HydrophobicContact CG-CG 4.5Å; L157-L161 WeakPolarHBondContact O-CB 3.37Å; L157-L161 VanDerWaalsContact O-CG 3.24Å; L157-L161 WeakPolarHBondContact O-CG 3.24Å; L157-L161 PolarHBondContact O-N 2.97Å
158	A	97.9	Very high	97.9	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.3	-43.6	175.7	0	0	0	0	0	111.7	L136 G154 Q155 R156 L161 G162 F163 F165	L136-A158 HydrophobicContact CB-CB 4.3Å; L136-A158 HydrophobicContact CD2-CB 3.91Å; G154-A158 WeakPolarHBondContact O-CB 3.28Å; G154-A158 PolarHBondContact O-N 2.84Å; Q155-A158 WeakPolarHBondContact O-CB 3.35Å; Q155-A158 PolarHBondContact O-N 3.33Å; R156-A158 VanDerWaalsContact C-N 3.31Å; R156-A158 PolarHBondContact O-N 3.33Å; A158-L161 CarbonylContact O-C 3.45Å; A158-L161 PolarHBondContact O-N 3.17Å; A158-G162 PolarHBondContact O-N 3.19Å; A158-F163 HydrophobicContact CB-CB 4.42Å; A158-F163 PolarHBondContact O-N 3.2Å; A158-F165 HydrophobicContact CB-CB 3.64Å; A158-F165 HydrophobicContact CB-CG 4.34Å
159	E	97.9	Very high	97.9	Very high	121 Å²	121	54 Å²	54	57%	0.565	28%	0.275	S	S	*	.	H	α-helix	trans	-59.6	-48.2	175.5	-72.8	170.5	-168.7	0	0	111.8	Q155 R156 L161 G162	Q155-E159 WeakPolarHBondContact CG-OE1 3.39Å; Q155-E159 PolarHBondContact NE2-OE1 3.43Å; Q155-E159 WeakPolarHBondContact O-CG 3.48Å; Q155-E159 PolarHBondContact O-N 3.27Å; R156-E159 PolarHBondContact O-N 2.98Å; E159-L161 PolarHBondContact O-N 2.92Å; E159-G162 PolarHBondContact O-N 2.92Å
160	D	97.4	Very high	97.9	Very high	122 Å²	122	54.1 Å²	54.1	65%	0.652	28%	0.276	S	S	*	.	H	α-helix	trans	-60.4	-33.4	177.8	-72.8	-20.5	0	0	0	112.1	R156 L157	R156-D160 PolarHBondContact O-N 3Å; L157-D160 PolarHBondContact O-N 3.28Å
161	L	95.7	Very high	97.8	Very high	31 Å²	31	56.2 Å²	56.2	16%	0.162	28%	0.28	C	S	.	.	H	α-helix	trans	-86	-13.9	177.8	-67.3	174.2	0	0	0	113.8	V117 A121 L157 A158 E159 F163	V117-L161 HydrophobicContact CG1-CD1 4.07Å; A121-L161 HydrophobicContact CB-CD1 4.09Å; A121-L161 HydrophobicContact CB-CD2 4.12Å; L157-L161 HydrophobicContact CD1-CD1 3.92Å; L157-L161 HydrophobicContact CD1-CG 4.15Å; L157-L161 HydrophobicContact CG-CD1 3.91Å; L157-L161 HydrophobicContact CG-CG 4.5Å; L157-L161 WeakPolarHBondContact O-CB 3.37Å; L157-L161 VanDerWaalsContact O-CG 3.24Å; L157-L161 WeakPolarHBondContact O-CG 3.24Å; L157-L161 PolarHBondContact O-N 2.97Å; A158-L161 CarbonylContact O-C 3.45Å; A158-L161 PolarHBondContact O-N 3.17Å; E159-L161 PolarHBondContact O-N 2.92Å; L161-F163 HydrophobicContact CB-CD1 4.29Å; L161-F163 HydrophobicContact CB-CD2 3.67Å; L161-F163 HydrophobicContact CB-CE1 4.33Å; L161-F163 HydrophobicContact CB-CE2 3.73Å; L161-F163 HydrophobicContact CB-CG 3.97Å; L161-F163 HydrophobicContact CB-CZ 4.07Å; L161-F163 HydrophobicContact CD1-CD2 3.96Å; L161-F163 HydrophobicContact CD1-CE2 3.78Å; L161-F163 HydrophobicContact CG-CD2 4.47Å; L161-F163 HydrophobicContact CG-CE2 4.3Å; L161-F163 WeakPolarHBondContact O-CE1 3.4Å
162	G	95.8	Very high	97.7	Very high	67 Å²	67	58 Å²	58	69%	0.691	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	28.6	-173.7	0	0	0	0	0	114	A158 E159	A158-G162 PolarHBondContact O-N 3.19Å; E159-G162 PolarHBondContact O-N 2.92Å
163	F	96.9	Very high	97.7	Very high	29 Å²	29	54.6 Å²	54.6	13%	0.127	27%	0.274	C	S	.	.			trans	-104.8	155.6	-178.6	-57.6	-18.2	0	0	0	111.4	L104 A121 V134 A158 L161	L104-F163 HydrophobicContact CD2-CE2 4.1Å; A121-F163 HydrophobicContact CB-CE2 3.88Å; A121-F163 HydrophobicContact CB-CZ 4.08Å; V134-F163 HydrophobicContact CB-CD1 3.73Å; V134-F163 HydrophobicContact CB-CD2 4.28Å; V134-F163 HydrophobicContact CB-CE1 3.74Å; V134-F163 HydrophobicContact CB-CE2 4.27Å; V134-F163 HydrophobicContact CB-CG 4.02Å; V134-F163 HydrophobicContact CB-CZ 4.01Å; V134-F163 HydrophobicContact CG1-CD1 4.17Å; V134-F163 HydrophobicContact CG1-CD2 3.79Å; V134-F163 HydrophobicContact CG1-CE1 4.14Å; V134-F163 HydrophobicContact CG1-CE2 3.73Å; V134-F163 HydrophobicContact CG1-CG 4.02Å; V134-F163 HydrophobicContact CG1-CZ 3.92Å; V134-F163 HydrophobicContact CG2-CD1 4.4Å; V134-F163 HydrophobicContact CG2-CE1 3.94Å; V134-F163 HydrophobicContact CG2-CZ 4.13Å; A158-F163 HydrophobicContact CB-CB 4.42Å; A158-F163 PolarHBondContact O-N 3.2Å; L161-F163 HydrophobicContact CB-CD1 4.29Å; L161-F163 HydrophobicContact CB-CD2 3.67Å; L161-F163 HydrophobicContact CB-CE1 4.33Å; L161-F163 HydrophobicContact CB-CE2 3.73Å; L161-F163 HydrophobicContact CB-CG 3.97Å; L161-F163 HydrophobicContact CB-CZ 4.07Å; L161-F163 HydrophobicContact CD1-CD2 3.96Å; L161-F163 HydrophobicContact CD1-CE2 3.78Å; L161-F163 HydrophobicContact CG-CD2 4.47Å; L161-F163 HydrophobicContact CG-CE2 4.3Å; L161-F163 WeakPolarHBondContact O-CE1 3.4Å
164	Q	97.3	Very high	97.7	Very high	62 Å²	62	53.5 Å²	53.5	29%	0.29	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	150.7	164.9	-65.5	-179.4	31.4	0	0	109.9	I135 L136	I135-Q164 HydrophobicContact CG1-CB 4.3Å; L136-Q164 PolarHBondContact N-O 3.34Å
165	F	98.6	Very high	97.7	Very high	25 Å²	25	56 Å²	56	11%	0.11	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.6	-176.9	-180	-121	0	0	0	112.1	Y106 L136 T151 Q155 A158 E167	Y106-F165 AromaticContact CE1-CE2 3.94Å; Y106-F165 HydrophobicContact CE1-CE2 3.94Å; Y106-F165 WeakPolarHBondContact OH-CE2 3.46Å; Y106-F165 WeakPolarHBondContact OH-CZ 3.46Å; L136-F165 HydrophobicContact CB-CD2 4.12Å; L136-F165 HydrophobicContact CD2-CD2 3.94Å; L136-F165 HydrophobicContact CD2-CE2 4.37Å; L136-F165 HydrophobicContact CG-CD2 3.91Å; L136-F165 HydrophobicContact CG-CE2 4.35Å; L136-F165 WeakPolarHBondContact O-CA 3.17Å; T151-F165 HydrophobicContact CG2-CE1 4.02Å; Q155-F165 HydrophobicContact CB-CD1 4.01Å; Q155-F165 HydrophobicContact CB-CE1 4.38Å; A158-F165 HydrophobicContact CB-CB 3.64Å; A158-F165 HydrophobicContact CB-CG 4.34Å; F165-E167 HydrophobicContact CE1-CG 3.99Å; F165-E167 HydrophobicContact CE2-CG 4.47Å; F165-E167 HydrophobicContact CZ-CG 3.58Å
166	F	98.8	Very high	97.7	Very high	49 Å²	49	52.3 Å²	52.3	22%	0.215	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	142.4	168.6	-70.4	-97.9	0	0	0	109.7	I135 L136 V137 G138 V179 R182	I135-F166 HydrophobicContact CD1-CE2 4.42Å; I135-F166 HydrophobicContact CG2-CD2 3.68Å; I135-F166 HydrophobicContact CG2-CE2 4.19Å; L136-F166 PolarHBondContact O-N 3.5Å; V137-F166 CarbonylContact C-O 3.6Å; V137-F166 VanDerWaalsContact CA-O 3.29Å; V137-F166 WeakPolarHBondContact CA-O 3.42Å; G138-F166 PolarHBondContact N-O 2.68Å; F166-V179 HydrophobicContact CB-CG2 3.55Å; F166-V179 HydrophobicContact CD1-CG2 4.06Å; F166-V179 HydrophobicContact CD2-CG2 3.96Å; F166-V179 HydrophobicContact CG-CG2 3.59Å; F166-R182 HydrophobicContact CE2-CB 4.34Å; F166-R182 HydrophobicContact CE2-CG 4.17Å; F166-R182 HydrophobicContact CZ-CB 4.16Å; F166-R182 HydrophobicContact CZ-CG 4.13Å
167	E	98.6	Very high	97.6	Very high	29 Å²	29	49.4 Å²	49.4	14%	0.136	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	142.2	154.8	-69.6	-166.6	170.2	0	0	110.2	G138 C141 R147 T151 F165 N175	G138-E167 CarbonylContact O-C 3.42Å; G138-E167 VanDerWaalsContact O-CA 3.23Å; G138-E167 WeakPolarHBondContact O-CA 3.16Å; C141-E167 HydrophobicContact CB-CB 4.09Å; R147-E167 IonicContact CZ-OE1 3.48Å; R147-E167 IonicContact CZ-OE2 2.77Å; R147-E167 IonicContact NH1-OE1 2.68Å; R147-E167 PolarHBondContact NH1-OE1 2.84Å; R147-E167 IonicContact NH1-OE2 3.5Å; R147-E167 IonicContact NH2-OE1 2.72Å; R147-E167 PolarHBondContact NH2-OE1 3.22Å; R147-E167 IonicContact NH2-OE2 3.56Å; R147-E167 PolarHBondContact NH2-OE2 2.84Å; T151-E167 WeakPolarHBondContact CA-OE1 3.5Å; T151-E167 WeakPolarHBondContact CB-OE1 3.48Å; T151-E167 HydrophobicContact CG2-CG 4.34Å; T151-E167 VanDerWaalsContact OG1-CD 3.26Å; T151-E167 PolarHBondContact OG1-OE1 3.27Å; T151-E167 PolarHBondContact OG1-OE2 3.31Å; F165-E167 HydrophobicContact CE1-CG 3.99Å; F165-E167 HydrophobicContact CE2-CG 4.47Å; F165-E167 HydrophobicContact CZ-CG 3.58Å; E167-N175 WeakPolarHBondContact O-CB 3.45Å; E167-N175 PolarHBondContact O-ND2 2.83Å
168	A	98.6	Very high	97.6	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	161.6	-173.5	0	0	0	0	0	112.4	F42 V137 G138 N139 K140 C141 I174 N175	F42-A168 HydrophobicContact CE2-CB 3.59Å; F42-A168 HydrophobicContact CZ-CB 4.03Å; V137-A168 HydrophobicContact CG1-CB 3.92Å; G138-A168 PolarHBondContact O-N 2.92Å; N139-A168 CarbonylContact C-O 3.52Å; N139-A168 VanDerWaalsContact CA-O 3.29Å; N139-A168 WeakPolarHBondContact CA-O 3.44Å; N139-A168 PolarHBondContact OD1-O 3.39Å; K140-A168 PolarHBondContact N-O 2.95Å; C141-A168 PolarHBondContact N-O 3.24Å; C141-A168 VanDerWaalsContact N-O 3.16Å; C141-A168 PolarHBondContact SG-O 3.37Å; C141-A168 VanDerWaalsContact SG-O 3.37Å; A168-I174 VanDerWaalsContact CA-O 3.29Å; A168-I174 WeakPolarHBondContact CA-O 3.44Å; A168-I174 VanDerWaalsContact CB-O 3.31Å; A168-I174 WeakPolarHBondContact CB-O 3.46Å; A168-N175 HydrophobicContact CB-CB 4.02Å
169	S	98.3	Very high	97.7	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-133.7	113.9	174.7	179.2	0	0	0	0	109.9	E142 K171 D172 N173 I174 V176	E142-S169 VanDerWaalsContact CD-OG 3.24Å; E142-S169 WeakPolarHBondContact OE2-CB 3.23Å; E142-S169 PolarHBondContact OE2-OG 3.5Å; S169-K171 PolarHBondContact O-N 3.31Å; S169-K171 PolarHBondContact OG-N 2.67Å; S169-D172 PolarHBondContact OG-N 3.31Å; S169-N173 CarbonylContact O-C 3.59Å; S169-N173 WeakPolarHBondContact O-CA 3.38Å; S169-N173 PolarHBondContact O-N 3.18Å; S169-I174 PolarHBondContact N-O 2.55Å; S169-I174 PolarHBondContact O-N 3.38Å; S169-V176 VanDerWaalsContact O-CG2 3.3Å; S169-V176 WeakPolarHBondContact O-CG2 3.47Å
170	A	97	Very high	97.7	Very high	3 Å²	3	47.2 Å²	47.2	3%	0.025	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-33.2	168.2	0	0	0	0	0	112	F42 R45 F51 N139	F42-A170 HydrophobicContact CB-CB 4.34Å; F42-A170 HydrophobicContact CD2-CB 4.11Å; R45-A170 HydrophobicContact CB-CB 4.49Å; R45-A170 WeakPolarHBondContact CG-O 3.25Å; R45-A170 PolarHBondContact NE-O 3.46Å; F51-A170 HydrophobicContact CD2-CB 4.25Å; F51-A170 HydrophobicContact CE2-CB 4.33Å; N139-A170 PolarHBondContact OD1-N 3.17Å
171	K	96.4	Very high	97.6	Very high	94 Å²	94	43.5 Å²	43.5	41%	0.409	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-55.3	-177.5	-178.4	178	151.1	-157.2	0	110.8	R45 F51 E142 S169 N173	R45-K171 PolarHBondContact NH2-O 2.81Å; F51-K171 HydrophobicContact CD1-CB 4.45Å; F51-K171 HydrophobicContact CD1-CG 4.21Å; F51-K171 HydrophobicContact CD2-CB 4.32Å; F51-K171 HydrophobicContact CE1-CB 4.02Å; F51-K171 HydrophobicContact CE1-CD 4.3Å; F51-K171 HydrophobicContact CE1-CG 3.74Å; F51-K171 HydrophobicContact CE2-CB 3.87Å; F51-K171 HydrophobicContact CZ-CB 3.7Å; F51-K171 HydrophobicContact CZ-CD 4.35Å; F51-K171 HydrophobicContact CZ-CG 3.91Å; E142-K171 HydrophobicContact CG-CB 4.47Å; E142-K171 HydrophobicContact CG-CD 4.03Å; S169-K171 PolarHBondContact O-N 3.31Å; S169-K171 PolarHBondContact OG-N 2.67Å; K171-N173 VanDerWaalsContact C-N 3.33Å
172	D	97.5	Very high	97.7	Very high	89 Å²	89	45.4 Å²	45.4	48%	0.476	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	3.9	-175	-67	-2.2	0	0	0	112.9	E142 S169 I174	E142-D172 VanDerWaalsContact CB-OD2 3.22Å; E142-D172 WeakPolarHBondContact CB-OD2 3.38Å; S169-D172 PolarHBondContact OG-N 3.31Å; D172-I174 VanDerWaalsContact C-N 3.28Å; D172-I174 HydrophobicContact CB-CD1 3.98Å; D172-I174 HydrophobicContact CB-CG1 4.02Å; D172-I174 PolarHBondContact O-N 2.83Å
173	N	97.4	Very high	97.8	Very high	70 Å²	70	42.2 Å²	42.2	37%	0.374	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	36.4	-179.6	-163.4	24.4	0	0	0	113.7	R45 S169 K171	R45-N173 WeakPolarHBondContact CD-OD1 3.45Å; R45-N173 HydrophobicContact CG-CB 4.41Å; R45-N173 WeakPolarHBondContact CG-OD1 3.43Å; S169-N173 CarbonylContact O-C 3.59Å; S169-N173 WeakPolarHBondContact O-CA 3.38Å; S169-N173 PolarHBondContact O-N 3.18Å; K171-N173 VanDerWaalsContact C-N 3.33Å
174	I	98.5	Very high	97.8	Very high	68 Å²	68	41 Å²	41	35%	0.349	19%	0.193	S	C	.	.	B	Isolated β-bridge	trans	-85.7	125.8	177.9	-58.9	171.6	0	0	0	108.5	A168 S169 D172 V176	A168-I174 VanDerWaalsContact CA-O 3.29Å; A168-I174 WeakPolarHBondContact CA-O 3.44Å; A168-I174 VanDerWaalsContact CB-O 3.31Å; A168-I174 WeakPolarHBondContact CB-O 3.46Å; S169-I174 PolarHBondContact N-O 2.55Å; S169-I174 PolarHBondContact O-N 3.38Å; D172-I174 VanDerWaalsContact C-N 3.28Å; D172-I174 HydrophobicContact CB-CD1 3.98Å; D172-I174 HydrophobicContact CB-CG1 4.02Å; D172-I174 PolarHBondContact O-N 2.83Å; I174-V176 PolarHBondContact O-N 3.5Å
175	N	98.3	Very high	97.7	Very high	52 Å²	52	40.4 Å²	40.4	28%	0.278	19%	0.192	S	C	.	.	S	Bend	trans	57.8	4.8	175.9	-67.2	-27.9	0	0	0	117	E167 A168 K177 Q178 V179	E167-N175 WeakPolarHBondContact O-CB 3.45Å; E167-N175 PolarHBondContact O-ND2 2.83Å; A168-N175 HydrophobicContact CB-CB 4.02Å; N175-K177 PolarHBondContact O-N 3.14Å; N175-Q178 VanDerWaalsContact C-OE1 3.27Å; N175-Q178 PolarHBondContact O-N 3.37Å; N175-V179 WeakPolarHBondContact O-CB 3.38Å; N175-V179 VanDerWaalsContact O-CG2 3.26Å; N175-V179 WeakPolarHBondContact O-CG2 3.45Å; N175-V179 PolarHBondContact O-N 3.14Å
176	V	98.1	Very high	97.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.6	-54.8	-176.9	-179.6	0	0	0	0	110.9	F42 R45 S169 I174 Q178 F180	F42-V176 HydrophobicContact CD1-CG1 4.33Å; F42-V176 HydrophobicContact CD2-CG2 4.16Å; F42-V176 HydrophobicContact CE1-CG1 4.08Å; F42-V176 HydrophobicContact CE2-CB 4.26Å; F42-V176 HydrophobicContact CE2-CG1 4.29Å; F42-V176 HydrophobicContact CE2-CG2 3.72Å; F42-V176 HydrophobicContact CZ-CB 4.18Å; F42-V176 HydrophobicContact CZ-CG1 4.06Å; F42-V176 HydrophobicContact CZ-CG2 4.14Å; R45-V176 HydrophobicContact CB-CG1 4.28Å; R45-V176 HydrophobicContact CG-CB 4.19Å; R45-V176 HydrophobicContact CG-CG1 3.93Å; R45-V176 HydrophobicContact CG-CG2 3.86Å; S169-V176 VanDerWaalsContact O-CG2 3.3Å; S169-V176 WeakPolarHBondContact O-CG2 3.47Å; I174-V176 PolarHBondContact O-N 3.5Å; V176-Q178 PolarHBondContact O-N 3.25Å; V176-F180 HydrophobicContact CG1-CE2 4.39Å; V176-F180 VanDerWaalsContact O-CD2 3.26Å; V176-F180 WeakPolarHBondContact O-CD2 3.23Å
177	K	97	Very high	97.4	Very high	110 Å²	110	37.7 Å²	37.7	48%	0.478	18%	0.182	S	C	.	.	H	α-helix	trans	-62.9	-44.5	178.7	179.9	171.5	175	-80.6	0	111.1	N175 V179 F180 E181	N175-K177 PolarHBondContact O-N 3.14Å; K177-V179 VanDerWaalsContact C-N 3.32Å; K177-V179 PolarHBondContact O-N 3.35Å; K177-F180 PolarHBondContact O-N 3.25Å; K177-E181 WeakPolarHBondContact CE-OE1 3.47Å; K177-E181 HydrophobicContact CG-CG 3.98Å; K177-E181 IonicContact NZ-OE1 3.95Å; K177-E181 PolarHBondContact NZ-OE1 2.89Å; K177-E181 IonicContact NZ-OE2 2.7Å; K177-E181 PolarHBondContact NZ-OE2 3.33Å; K177-E181 WeakPolarHBondContact O-CB 3.46Å; K177-E181 VanDerWaalsContact O-CG 3.23Å; K177-E181 WeakPolarHBondContact O-CG 3.2Å; K177-E181 PolarHBondContact O-N 3.49Å
178	Q	98.2	Very high	97.1	Very high	91 Å²	91	37.1 Å²	37.1	43%	0.425	18%	0.18	S	C	.	.	H	α-helix	trans	-58.3	-42.6	-176.9	-66.9	81.2	-15.8	0	0	111.9	N175 V176 E181 R182	N175-Q178 VanDerWaalsContact C-OE1 3.27Å; N175-Q178 PolarHBondContact O-N 3.37Å; V176-Q178 PolarHBondContact O-N 3.25Å; Q178-E181 PolarHBondContact O-N 2.98Å; Q178-R182 VanDerWaalsContact O-CB 3.3Å; Q178-R182 WeakPolarHBondContact O-CB 3.44Å; Q178-R182 PolarHBondContact O-N 2.93Å
179	V	98.5	Very high	96.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.4	-48.6	177.1	165.5	0	0	0	0	111.5	F42 L103 I135 V137 F166 N175 K177 R182 L183	F42-V179 HydrophobicContact CE1-CB 4.5Å; F42-V179 HydrophobicContact CE1-CG1 4.26Å; F42-V179 HydrophobicContact CZ-CB 4.26Å; F42-V179 HydrophobicContact CZ-CG1 4.35Å; F42-V179 HydrophobicContact CZ-CG2 4.42Å; L103-V179 HydrophobicContact CD1-CG1 3.95Å; L103-V179 HydrophobicContact CD2-CG1 3.39Å; L103-V179 HydrophobicContact CG-CG1 4.32Å; I135-V179 HydrophobicContact CG2-CG1 4.41Å; V137-V179 HydrophobicContact CG2-CG1 3.81Å; V137-V179 HydrophobicContact CG2-CG2 4.37Å; F166-V179 HydrophobicContact CB-CG2 3.55Å; F166-V179 HydrophobicContact CD1-CG2 4.06Å; F166-V179 HydrophobicContact CD2-CG2 3.96Å; F166-V179 HydrophobicContact CG-CG2 3.59Å; N175-V179 WeakPolarHBondContact O-CB 3.38Å; N175-V179 VanDerWaalsContact O-CG2 3.26Å; N175-V179 WeakPolarHBondContact O-CG2 3.45Å; N175-V179 PolarHBondContact O-N 3.14Å; K177-V179 VanDerWaalsContact C-N 3.32Å; K177-V179 PolarHBondContact O-N 3.35Å; V179-R182 PolarHBondContact O-N 2.69Å; V179-L183 WeakPolarHBondContact O-CB 3.41Å; V179-L183 PolarHBondContact O-N 3.16Å
180	F	98	Very high	96.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.9	-42.2	178.2	-76.9	-79.6	0	0	0	112.2	L29 I31 F42 Y46 I79 L103 V176 K177 R182 L183 V184	L29-F180 HydrophobicContact CD1-CD1 4.36Å; I31-F180 HydrophobicContact CD1-CZ 4.05Å; F42-F180 AromaticContact CD1-CE2 3.58Å; F42-F180 HydrophobicContact CD1-CE2 3.58Å; F42-F180 HydrophobicContact CD1-CZ 4.01Å; F42-F180 HydrophobicContact CE1-CD2 4.1Å; F42-F180 AromaticContact CE1-CE2 3.44Å; F42-F180 HydrophobicContact CE1-CE2 3.44Å; F42-F180 VanDerWaalsContact CE1-CE2 3.44Å; F42-F180 HydrophobicContact CE1-CZ 4.15Å; Y46-F180 HydrophobicContact CD1-CD1 4.02Å; Y46-F180 AromaticContact CD1-CD2 3.69Å; Y46-F180 HydrophobicContact CD1-CD2 3.69Å; Y46-F180 HydrophobicContact CD1-CE1 4.1Å; Y46-F180 AromaticContact CD1-CE2 3.78Å; Y46-F180 HydrophobicContact CD1-CE2 3.78Å; Y46-F180 AromaticContact CD1-CG 3.83Å; Y46-F180 HydrophobicContact CD1-CG 3.83Å; Y46-F180 AromaticContact CD1-CZ 3.99Å; Y46-F180 HydrophobicContact CD1-CZ 3.99Å; Y46-F180 HydrophobicContact CD2-CB 4.05Å; Y46-F180 AromaticContact CD2-CD2 3.39Å; Y46-F180 HydrophobicContact CD2-CD2 3.39Å; Y46-F180 HydrophobicContact CD2-CE2 4.03Å; Y46-F180 AromaticContact CD2-CG 3.87Å; Y46-F180 HydrophobicContact CD2-CG 3.87Å; Y46-F180 HydrophobicContact CE1-CB 4.11Å; Y46-F180 AromaticContact CE1-CD1 3.95Å; Y46-F180 HydrophobicContact CE1-CD1 3.95Å; Y46-F180 HydrophobicContact CE1-CD2 4.12Å; Y46-F180 HydrophobicContact CE1-CE1 4.4Å; Y46-F180 AromaticContact CE1-CG 3.8Å; Y46-F180 HydrophobicContact CE1-CG 3.8Å; Y46-F180 HydrophobicContact CE2-CB 3.6Å; Y46-F180 AromaticContact CE2-CD2 3.87Å; Y46-F180 HydrophobicContact CE2-CD2 3.87Å; Y46-F180 AromaticContact CE2-CG 3.86Å; Y46-F180 HydrophobicContact CE2-CG 3.86Å; Y46-F180 HydrophobicContact CG-CB 4.49Å; Y46-F180 HydrophobicContact CG-CD1 4.46Å; Y46-F180 AromaticContact CG-CD2 3.28Å; Y46-F180 HydrophobicContact CG-CD2 3.28Å; Y46-F180 AromaticContact CG-CE2 3.45Å; Y46-F180 HydrophobicContact CG-CE2 3.45Å; Y46-F180 VanDerWaalsContact CG-CE2 3.45Å; Y46-F180 AromaticContact CG-CG 3.85Å; Y46-F180 HydrophobicContact CG-CG 3.85Å; Y46-F180 HydrophobicContact CG-CZ 4.12Å; Y46-F180 AromaticContact CZ-CG 3.81Å; I79-F180 HydrophobicContact CD1-CD1 4.16Å; I79-F180 HydrophobicContact CD1-CE1 3.84Å; I79-F180 HydrophobicContact CG1-CE1 4.46Å; I79-F180 HydrophobicContact CG2-CE1 3.94Å; I79-F180 HydrophobicContact CG2-CZ 4.47Å; L103-F180 HydrophobicContact CD1-CD1 3.97Å; L103-F180 HydrophobicContact CD1-CD2 4.49Å; L103-F180 HydrophobicContact CD1-CE1 3.45Å; L103-F180 VanDerWaalsContact CD1-CE1 3.45Å; L103-F180 HydrophobicContact CD1-CE2 4.04Å; L103-F180 HydrophobicContact CD1-CG 4.46Å; L103-F180 HydrophobicContact CD1-CZ 3.49Å; L103-F180 VanDerWaalsContact CD1-CZ 3.49Å; V176-F180 HydrophobicContact CG1-CE2 4.39Å; V176-F180 VanDerWaalsContact O-CD2 3.26Å; V176-F180 WeakPolarHBondContact O-CD2 3.23Å; K177-F180 PolarHBondContact O-N 3.25Å; F180-R182 VanDerWaalsContact C-N 3.34Å; F180-L183 PolarHBondContact O-N 3.21Å; F180-V184 VanDerWaalsContact O-CG2 3.3Å; F180-V184 WeakPolarHBondContact O-CG2 3.49Å; F180-V184 PolarHBondContact O-N 3.16Å
181	E	96.5	Very high	95.9	Very high	45 Å²	45	45.8 Å²	45.8	21%	0.21	22%	0.219	C	C	.	.	H	α-helix	trans	-61.3	-45.3	177.9	-68.8	-171.3	136.9	0	0	110.9	R70 K177 Q178 L183 V184 D185	R70-E181 IonicContact CZ-OE1 2.79Å; R70-E181 IonicContact NH1-OE1 2.8Å; R70-E181 IonicContact NH2-OE1 3.82Å; R70-E181 PolarHBondContact NH2-OE1 3.41Å; R70-E181 IonicContact NH2-OE2 3.76Å; K177-E181 WeakPolarHBondContact CE-OE1 3.47Å; K177-E181 HydrophobicContact CG-CG 3.98Å; K177-E181 IonicContact NZ-OE1 3.95Å; K177-E181 PolarHBondContact NZ-OE1 2.89Å; K177-E181 IonicContact NZ-OE2 2.7Å; K177-E181 PolarHBondContact NZ-OE2 3.33Å; K177-E181 WeakPolarHBondContact O-CB 3.46Å; K177-E181 VanDerWaalsContact O-CG 3.23Å; K177-E181 WeakPolarHBondContact O-CG 3.2Å; K177-E181 PolarHBondContact O-N 3.49Å; Q178-E181 PolarHBondContact O-N 2.98Å; E181-L183 PolarHBondContact O-N 3.12Å; E181-V184 PolarHBondContact O-N 3.38Å; E181-D185 PolarHBondContact O-N 2.87Å
182	R	97.9	Very high	95.3	Very high	71 Å²	71	46.2 Å²	46.2	27%	0.268	23%	0.226	S	C	.	.	H	α-helix	trans	-64.5	-41.5	177.9	-175.1	58.6	-174	142	2.6	112.1	I135 F166 Q178 V179 F180 V184 D185 V186 E189	I135-R182 HydrophobicContact CD1-CB 4.11Å; I135-R182 HydrophobicContact CD1-CG 4.04Å; F166-R182 HydrophobicContact CE2-CB 4.34Å; F166-R182 HydrophobicContact CE2-CG 4.17Å; F166-R182 HydrophobicContact CZ-CB 4.16Å; F166-R182 HydrophobicContact CZ-CG 4.13Å; Q178-R182 VanDerWaalsContact O-CB 3.3Å; Q178-R182 WeakPolarHBondContact O-CB 3.44Å; Q178-R182 PolarHBondContact O-N 2.93Å; V179-R182 PolarHBondContact O-N 2.69Å; F180-R182 VanDerWaalsContact C-N 3.34Å; R182-V184 VanDerWaalsContact C-N 3.31Å; R182-V184 PolarHBondContact O-N 3.49Å; R182-D185 PolarHBondContact O-N 2.92Å; R182-V186 HydrophobicContact CG-CG2 4.34Å; R182-V186 VanDerWaalsContact CZ-CG2 3.4Å; R182-V186 VanDerWaalsContact O-CG2 3.25Å; R182-V186 WeakPolarHBondContact O-CG2 3.36Å; R182-V186 PolarHBondContact O-N 2.88Å; R182-E189 IonicContact CZ-OE1 2.78Å; R182-E189 IonicContact NH1-OE1 3.81Å; R182-E189 PolarHBondContact NH1-OE1 3.11Å; R182-E189 IonicContact NH1-OE2 2.86Å; R182-E189 IonicContact NH2-OE1 2.88Å; R182-E189 IonicContact NH2-OE2 3.99Å
183	L	97.8	Very high	94.6	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.9	-43.3	176.3	-179	57.8	0	0	0	111.4	L29 L103 Q133 I135 V179 F180 E181 V186 I187	L29-L183 HydrophobicContact CD1-CD2 4.18Å; L29-L183 HydrophobicContact CD2-CD2 3.98Å; L29-L183 HydrophobicContact CD2-CG 4.34Å; L103-L183 HydrophobicContact CD2-CD2 3.68Å; L103-L183 HydrophobicContact CG-CD2 3.98Å; Q133-L183 HydrophobicContact CB-CD1 3.96Å; I135-L183 HydrophobicContact CD1-CB 3.78Å; I135-L183 HydrophobicContact CD1-CD1 4.41Å; I135-L183 HydrophobicContact CG1-CB 4.45Å; I135-L183 HydrophobicContact CG1-CD1 4.23Å; V179-L183 WeakPolarHBondContact O-CB 3.41Å; V179-L183 PolarHBondContact O-N 3.16Å; F180-L183 PolarHBondContact O-N 3.21Å; E181-L183 PolarHBondContact O-N 3.12Å; L183-V186 PolarHBondContact O-N 3.12Å; L183-I187 HydrophobicContact CD1-CD1 3.99Å; L183-I187 HydrophobicContact CD1-CG1 4.31Å; L183-I187 HydrophobicContact CG-CD1 3.89Å; L183-I187 WeakPolarHBondContact O-CB 3.4Å; L183-I187 WeakPolarHBondContact O-CD1 2.89Å; L183-I187 WeakPolarHBondContact O-CG1 3.31Å; L183-I187 PolarHBondContact O-N 2.98Å
184	V	96.9	Very high	93.4	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.012	23%	0.233	C	C	.	.	H	α-helix	trans	-61.4	-44.9	176.1	172	0	0	0	0	111	F27 V68 R70 I75 L77 F180 E181 R182 I187 C188	F27-V184 HydrophobicContact CD2-CG1 4.3Å; F27-V184 HydrophobicContact CD2-CG2 4.44Å; F27-V184 HydrophobicContact CE2-CG1 3.93Å; V68-V184 HydrophobicContact CG2-CG1 4.36Å; R70-V184 HydrophobicContact CG-CG1 3.89Å; I75-V184 HydrophobicContact CD1-CG1 3.91Å; L77-V184 HydrophobicContact CD1-CG2 3.9Å; L77-V184 HydrophobicContact CD2-CG2 3.62Å; L77-V184 HydrophobicContact CG-CG2 4.41Å; F180-V184 VanDerWaalsContact O-CG2 3.3Å; F180-V184 WeakPolarHBondContact O-CG2 3.49Å; F180-V184 PolarHBondContact O-N 3.16Å; E181-V184 PolarHBondContact O-N 3.38Å; R182-V184 VanDerWaalsContact C-N 3.31Å; R182-V184 PolarHBondContact O-N 3.49Å; V184-I187 PolarHBondContact O-N 3.27Å; V184-C188 PolarHBondContact O-N 2.66Å; V184-C188 PolarHBondContact O-SG 3.33Å
185	D	95.6	Very high	91.7	Very high	50 Å²	50	47.7 Å²	47.7	27%	0.267	23%	0.234	S	C	.	.	H	α-helix	trans	-62.7	-45.4	-179.4	-63.9	-20.6	0	0	0	111.4	R70 E181 R182 I187 C188 E189	R70-D185 WeakPolarHBondContact CD-OD1 3.32Å; R70-D185 IonicContact NE-OD1 2.72Å; R70-D185 PolarHBondContact NE-OD1 2.66Å; E181-D185 PolarHBondContact O-N 2.87Å; R182-D185 PolarHBondContact O-N 2.92Å; D185-I187 VanDerWaalsContact C-N 3.33Å; D185-I187 PolarHBondContact O-N 3.39Å; D185-C188 WeakPolarHBondContact O-CB 2.98Å; D185-C188 PolarHBondContact O-N 2.96Å; D185-C188 VanDerWaalsContact O-N 3.13Å; D185-E189 VanDerWaalsContact O-CG 3.31Å; D185-E189 WeakPolarHBondContact O-CG 3.22Å; D185-E189 PolarHBondContact O-N 3.26Å
186	V	95.2	Very high	89.6	Confident	14 Å²	14	48.9 Å²	48.9	9%	0.085	26%	0.259	C	S	.	.	H	α-helix	trans	-63.6	-38.7	177.8	179.6	0	0	0	0	111.6	Q133 R182 L183 C188 E189 K190	Q133-V186 HydrophobicContact CB-CG1 4.09Å; Q133-V186 HydrophobicContact CG-CG1 3.81Å; R182-V186 HydrophobicContact CG-CG2 4.34Å; R182-V186 VanDerWaalsContact CZ-CG2 3.4Å; R182-V186 VanDerWaalsContact O-CG2 3.25Å; R182-V186 WeakPolarHBondContact O-CG2 3.36Å; R182-V186 PolarHBondContact O-N 2.88Å; L183-V186 PolarHBondContact O-N 3.12Å; V186-C188 VanDerWaalsContact C-N 3.34Å; V186-E189 PolarHBondContact O-N 2.86Å; V186-K190 WeakPolarHBondContact O-CB 3.21Å; V186-K190 PolarHBondContact O-N 2.83Å
187	I	94.9	Very high	87.2	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-40.5	174.8	-70.3	166.8	0	0	0	110.9	F27 L29 M100 Q133 L183 V184 D185 M191	F27-I187 HydrophobicContact CD1-CG2 4.29Å; F27-I187 HydrophobicContact CD2-CB 4.27Å; F27-I187 HydrophobicContact CD2-CD1 4.28Å; F27-I187 HydrophobicContact CD2-CG2 3.73Å; F27-I187 HydrophobicContact CE1-CG2 4.16Å; F27-I187 HydrophobicContact CE2-CB 4.02Å; F27-I187 HydrophobicContact CE2-CG2 3.51Å; F27-I187 HydrophobicContact CG-CG2 4.14Å; F27-I187 HydrophobicContact CZ-CG2 3.77Å; L29-I187 HydrophobicContact CD2-CD1 3.52Å; M100-I187 HydrophobicContact CB-CD1 4.2Å; M100-I187 HydrophobicContact CB-CG2 4.25Å; M100-I187 HydrophobicContact CE-CG2 4.26Å; Q133-I187 HydrophobicContact CB-CG1 3.89Å; Q133-I187 HydrophobicContact CG-CG1 3.79Å; L183-I187 HydrophobicContact CD1-CD1 3.99Å; L183-I187 HydrophobicContact CD1-CG1 4.31Å; L183-I187 HydrophobicContact CG-CD1 3.89Å; L183-I187 WeakPolarHBondContact O-CB 3.4Å; L183-I187 WeakPolarHBondContact O-CD1 2.89Å; L183-I187 WeakPolarHBondContact O-CG1 3.31Å; L183-I187 PolarHBondContact O-N 2.98Å; V184-I187 PolarHBondContact O-N 3.27Å; D185-I187 VanDerWaalsContact C-N 3.33Å; D185-I187 PolarHBondContact O-N 3.39Å; I187-M191 HydrophobicContact CG2-CE 3.2Å; I187-M191 PolarHBondContact O-N 3.22Å
188	C	93.1	Very high	84.7	Confident	16 Å²	16	52.8 Å²	52.8	11%	0.108	30%	0.298	C	S	.	.	H	α-helix	trans	-65.1	-45.2	174.7	-75.3	0	0	0	0	112.4	V184 D185 V186 K190 M191 N192	V184-C188 PolarHBondContact O-N 2.66Å; V184-C188 PolarHBondContact O-SG 3.33Å; D185-C188 WeakPolarHBondContact O-CB 2.98Å; D185-C188 PolarHBondContact O-N 2.96Å; D185-C188 VanDerWaalsContact O-N 3.13Å; V186-C188 VanDerWaalsContact C-N 3.34Å; C188-K190 VanDerWaalsContact C-N 3.32Å; C188-K190 PolarHBondContact O-N 2.82Å; C188-M191 PolarHBondContact O-N 3.26Å; C188-N192 PolarHBondContact O-N 2.95Å
189	E	91.9	Very high	81.9	Confident	92 Å²	92	53 Å²	53	43%	0.43	32%	0.316	S	S	.	.	H	α-helix	trans	-54.4	-50.1	174.7	-71.7	162.9	-163.1	0	0	110	R182 D185 V186 M191 N192 E193	R182-E189 IonicContact CZ-OE1 2.78Å; R182-E189 IonicContact NH1-OE1 3.81Å; R182-E189 PolarHBondContact NH1-OE1 3.11Å; R182-E189 IonicContact NH1-OE2 2.86Å; R182-E189 IonicContact NH2-OE1 2.88Å; R182-E189 IonicContact NH2-OE2 3.99Å; D185-E189 VanDerWaalsContact O-CG 3.31Å; D185-E189 WeakPolarHBondContact O-CG 3.22Å; D185-E189 PolarHBondContact O-N 3.26Å; V186-E189 PolarHBondContact O-N 2.86Å; E189-M191 PolarHBondContact O-N 3.09Å; E189-N192 PolarHBondContact O-N 2.98Å; E189-E193 WeakPolarHBondContact O-CG 3.34Å; E189-E193 PolarHBondContact O-N 2.91Å; E189-E193 VanDerWaalsContact O-N 3.07Å
190	K	89.8	Confident	79.1	Confident	71 Å²	71	59.8 Å²	59.8	31%	0.309	35%	0.352	S	S	.	.	H	α-helix	trans	-63.3	-39.5	179.4	-163.2	73.9	-155.9	156	0	113.3	V186 C188 E193 S194	V186-K190 WeakPolarHBondContact O-CB 3.21Å; V186-K190 PolarHBondContact O-N 2.83Å; C188-K190 VanDerWaalsContact C-N 3.32Å; C188-K190 PolarHBondContact O-N 2.82Å; K190-E193 IonicContact NZ-OE2 3.3Å; K190-E193 PolarHBondContact NZ-OE2 3.22Å; K190-E193 PolarHBondContact O-N 3.45Å; K190-S194 PolarHBondContact O-N 3.16Å; K190-S194 VanDerWaalsContact O-N 3.14Å; K190-S194 PolarHBondContact O-OG 3.4Å
191	M	86.4	Confident	76.8	Confident	22 Å²	22	67.4 Å²	67.4	11%	0.108	39%	0.391	C	S	.	.	H	α-helix	trans	-63.9	-42.4	175.6	-92.3	-174	-96.6	0	0	112	F27 M100 I187 C188 E189 E193 S194 M195	F27-M191 HydrophobicContact CD1-CE 3.88Å; F27-M191 HydrophobicContact CE1-CE 3.13Å; F27-M191 HydrophobicContact CE1-SD 4.23Å; F27-M191 HydrophobicContact CE2-CE 4.27Å; F27-M191 HydrophobicContact CZ-CE 3.36Å; M100-M191 HydrophobicContact CE-CE 3.18Å; M100-M191 HydrophobicContact CE-SD 3.77Å; M100-M191 HydrophobicContact SD-CE 4.26Å; I187-M191 HydrophobicContact CG2-CE 3.2Å; I187-M191 PolarHBondContact O-N 3.22Å; C188-M191 PolarHBondContact O-N 3.26Å; E189-M191 PolarHBondContact O-N 3.09Å; M191-E193 VanDerWaalsContact C-N 3.34Å; M191-E193 PolarHBondContact O-N 2.99Å; M191-S194 PolarHBondContact O-N 3.37Å; M191-S194 PolarHBondContact O-OG 3.24Å; M191-M195 HydrophobicContact CB-CE 4.33Å; M191-M195 WeakPolarHBondContact O-CG 3.47Å; M191-M195 PolarHBondContact O-N 3.06Å
192	N	84.9	Confident	74.8	Confident	104 Å²	104	71.1 Å²	71.1	56%	0.556	41%	0.412	S	S	*	.	H	α-helix	trans	-63.8	-39.2	177.8	-75.6	-5	0	0	0	112.3	C188 E189 S194 M195 G196	C188-N192 PolarHBondContact O-N 2.95Å; E189-N192 PolarHBondContact O-N 2.98Å; N192-S194 VanDerWaalsContact C-N 3.32Å; N192-S194 PolarHBondContact O-N 3.48Å; N192-M195 PolarHBondContact O-N 3.03Å; N192-G196 PolarHBondContact O-N 3.24Å
193	E	82.6	Confident	72.2	Confident	126 Å²	126	72.1 Å²	72.1	59%	0.589	43%	0.43	S	S	*	.	H	α-helix	trans	-59.8	-42.1	173.1	-70	174.4	-179.2	0	0	112	E189 K190 M191 G196	E189-E193 WeakPolarHBondContact O-CG 3.34Å; E189-E193 PolarHBondContact O-N 2.91Å; E189-E193 VanDerWaalsContact O-N 3.07Å; K190-E193 IonicContact NZ-OE2 3.3Å; K190-E193 PolarHBondContact NZ-OE2 3.22Å; K190-E193 PolarHBondContact O-N 3.45Å; M191-E193 VanDerWaalsContact C-N 3.34Å; M191-E193 PolarHBondContact O-N 2.99Å; E193-G196 PolarHBondContact O-N 3.13Å
194	S	72.3	Confident	69.3	Low	58 Å²	58	79 Å²	79	41%	0.406	47%	0.467	S	S	.	.	H	α-helix	trans	-72.8	-31.9	-179.3	67.6	0	0	0	0	113.9	K190 M191 N192 G196 G197 D198	K190-S194 PolarHBondContact O-N 3.16Å; K190-S194 VanDerWaalsContact O-N 3.14Å; K190-S194 PolarHBondContact O-OG 3.4Å; M191-S194 PolarHBondContact O-N 3.37Å; M191-S194 PolarHBondContact O-OG 3.24Å; N192-S194 VanDerWaalsContact C-N 3.32Å; N192-S194 PolarHBondContact O-N 3.48Å; S194-G196 VanDerWaalsContact C-N 3.27Å; S194-G196 PolarHBondContact O-N 2.96Å; S194-G197 PolarHBondContact O-N 3.32Å; S194-G197 VanDerWaalsContact O-N 3.13Å; S194-D198 PolarHBondContact O-N 3.07Å
195	M	61.5	Low	67	Low	74 Å²	74	88.3 Å²	88.3	37%	0.365	51%	0.51	S	S	.	.	H	α-helix	trans	-75.4	-14.6	177.6	-68.4	-166.1	-150.6	0	0	113.5	Y25 M191 N192 G197 L202	Y25-M195 HydrophobicContact CE1-CE 4.47Å; M191-M195 HydrophobicContact CB-CE 4.33Å; M191-M195 WeakPolarHBondContact O-CG 3.47Å; M191-M195 PolarHBondContact O-N 3.06Å; N192-M195 PolarHBondContact O-N 3.03Å; M195-G197 PolarHBondContact O-N 3.49Å; M195-L202 HydrophobicContact CE-CD1 3.29Å; M195-L202 HydrophobicContact SD-CD1 4.28Å
196	G	54.2	Low	64.3	Low	77 Å²	77	96.7 Å²	96.7	79%	0.794	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-5.4	165.9	0	0	0	0	0	114	N192 E193 S194	N192-G196 PolarHBondContact O-N 3.24Å; E193-G196 PolarHBondContact O-N 3.13Å; S194-G196 VanDerWaalsContact C-N 3.27Å; S194-G196 PolarHBondContact O-N 2.96Å
197	G	48.2	Very low	61.5	Low	56 Å²	56	101.2 Å²	101.2	58%	0.577	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.8	-36	-174.7	0	0	0	0	0	116.7	S194 M195	S194-G197 PolarHBondContact O-N 3.32Å; S194-G197 VanDerWaalsContact O-N 3.13Å; M195-G197 PolarHBondContact O-N 3.49Å
198	D	43.4	Very low	58.6	Low	135 Å²	135	107.5 Å²	107.5	72%	0.722	61%	0.608	S	S	*	*			trans	-164.4	116.3	178	-97.2	-45.4	0	0	0	112.5	S194 N200	S194-D198 PolarHBondContact O-N 3.07Å; D198-N200 VanDerWaalsContact C-N 3.32Å; D198-N200 PolarHBondContact O-N 2.84Å
199	A	40.2	Very low	55.9	Low	97 Å²	97	111.3 Å²	111.3	80%	0.802	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	20.4	-169.5	0	0	0	0	0	116
200	N	39.4	Very low	53.3	Low	142 Å²	142	114.7 Å²	114.7	76%	0.759	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.1	9.2	-162.9	-114.2	-12	0	0	0	117.9	D198	D198-N200 VanDerWaalsContact C-N 3.32Å; D198-N200 PolarHBondContact O-N 2.84Å
201	L	51.2	Low	50.9	Low	159 Å²	159	119.3 Å²	119.3	83%	0.832	68%	0.678	S	S	*	*	S	Bend	trans	-99.1	-2.1	-175.9	-68.4	176.2	0	0	0	116.1
202	L	53.6	Low	48.4	Very low	124 Å²	124	126 Å²	126	65%	0.649	72%	0.715	S	S	*	*	S	Bend	trans	-106	6.2	-166.5	-66.2	175	0	0	0	116.7	M195	M195-L202 HydrophobicContact CE-CD1 3.29Å; M195-L202 HydrophobicContact SD-CD1 4.28Å
203	S	43	Very low	46.2	Very low	91 Å²	91	125.8 Å²	125.8	64%	0.636	72%	0.721	S	S	*	*	S	Bend	trans	-102.1	-5.6	178.6	66.9	0	0	0	0	115.7
204	N	37.6	Very low	44.1	Very low	146 Å²	146	125.3 Å²	125.3	78%	0.781	73%	0.729	S	S	*	*			trans	-105.1	15.8	-163.8	-119.7	29.9	0	0	0	117.8
205	H	47.4	Very low	42.5	Very low	197 Å²	197	128.7 Å²	128.7	91%	0.912	75%	0.749	S	S	*	*			trans	-111.6	44.3	168	-83.4	-57.4	0	0	0	113.3	S207	H205-S207 PolarHBondContact O-N 2.74Å; H205-S207 VanDerWaalsContact O-N 3.15Å
206	R	38.9	Very low	41.4	Very low	226 Å²	226	133.7 Å²	133.7	85%	0.853	77%	0.772	S	S	*	*			trans	-72.5	95.9	154.5	-82	-175.2	173.8	-178.3	-1.1	109
207	S	37.5	Very low	40.7	Very low	108 Å²	108	137.9 Å²	137.9	76%	0.755	78%	0.776	S	S	*	*			trans	31.4	92.8	143.6	52.5	0	0	0	0	117.2	H205 S209	H205-S207 PolarHBondContact O-N 2.74Å; H205-S207 VanDerWaalsContact O-N 3.15Å; S207-S209 PolarHBondContact O-N 3.09Å
208	T	34.3	Very low	40.5	Very low	136 Å²	136	144 Å²	144	83%	0.834	79%	0.79	S	S	*	*			trans	-79.5	96.8	154	46.7	0	0	0	0	108.4	L210	T208-L210 PolarHBondContact O-N 3.06Å
209	S	34.9	Very low	40.2	Very low	97 Å²	97	140.9 Å²	140.9	68%	0.678	79%	0.789	S	S	*	*			trans	-66.5	108.8	165.5	177.6	0	0	0	0	108.7	S207 Q211	S207-S209 PolarHBondContact O-N 3.09Å; S209-Q211 PolarHBondContact O-N 2.83Å
210	L	38.4	Very low	40.3	Very low	162 Å²	162	140.1 Å²	140.1	85%	0.848	79%	0.791	S	S	*	*			trans	-77.3	101.7	165.6	-70.8	166.4	0	0	0	107.6	T208 D212	T208-L210 PolarHBondContact O-N 3.06Å; L210-D212 PolarHBondContact O-N 2.82Å
211	Q	38	Very low	40.5	Very low	169 Å²	169	140.1 Å²	140.1	79%	0.79	80%	0.8	S	S	*	*			trans	-82	103	158.7	-82.4	175.2	-6.9	0	0	107.2	S209 S213	S209-Q211 PolarHBondContact O-N 2.83Å; Q211-S213 PolarHBondContact O-N 3.24Å
212	D	34.9	Very low	40.1	Very low	163 Å²	163	135.6 Å²	135.6	87%	0.872	79%	0.792	S	S	*	*			trans	-67.1	111.4	163.7	-98.4	-29.6	0	0	0	108.4	L210	L210-D212 PolarHBondContact O-N 2.82Å
213	S	38.6	Very low	39.6	Very low	98 Å²	98	139.9 Å²	139.9	69%	0.685	83%	0.83	S	S	*	*			trans	-107.1	128.2	159.4	-58.2	0	0	0	0	107.2	Q211	Q211-S213 PolarHBondContact O-N 3.24Å
214	P	39.3	Very low	39.5	Very low	116 Å²	116	142.3 Å²	142.3	75%	0.753	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-68.2	146	-179.6	26.5	-31.3	0	0	0	110.8	E216	P214-E216 PolarHBondContact O-N 3.32Å
215	P	38.3	Very low	39.6	Very low	129 Å²	129	142.1 Å²	142.1	84%	0.838	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-71.1	125.4	-178.1	27.4	-31.6	0	0	0	110.9
216	E	38.5	Very low	39.1	Very low	180 Å²	180	139.1 Å²	139.1	84%	0.841	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-68.2	138.2	170.3	-74.3	-171.8	141.3	0	0	111.4	P214 H218	P214-E216 PolarHBondContact O-N 3.32Å; E216-H218 PolarHBondContact O-N 3.46Å
217	N	38.3	Very low	39.1	Very low	164 Å²	164	133.9 Å²	133.9	88%	0.877	84%	0.838	S	S	*	*			trans	-77.2	102.4	-177.1	-165.5	16.9	0	0	0	109.8	G219	N217-G219 PolarHBondContact O-N 3.03Å
218	H	44.8	Very low	39.2	Very low	186 Å²	186	135.6 Å²	135.6	86%	0.861	84%	0.843	S	S	*	*			trans	-77.9	87.5	171.6	-91.4	-62.1	0	0	0	111.1	E216	E216-H218 PolarHBondContact O-N 3.46Å
219	G	36.5	Very low	39.6	Very low	69 Å²	69	135.5 Å²	135.5	71%	0.711	84%	0.843	S	S	*	*			trans	-78.7	107.4	159.2	0	0	0	0	0	111.2	N217	N217-G219 PolarHBondContact O-N 3.03Å
220	G	42.7	Very low	39.9	Very low	81 Å²	81	138.3 Å²	138.3	84%	0.835	86%	0.855	S	S	*	*			trans	44	123	142.1	0	0	0	0	0	122
221	C	44.5	Very low	40	Very low	141 Å²	141	136.5 Å²	136.5	95%	0.953	86%	0.856	S	S	*	*			trans	-167.2	136.2	135	-156.7	0	0	0	0	107.4
222	G	42	Very low	40.2	Very low	64 Å²	64	133.8 Å²	133.8	66%	0.66	86%	0.861	S	S	*	*			cis	171.8	168.6	5.1	0	0	0	0	0	108
223	C	44.1	Very low	40.7	Very low	214 Å²	214	131.1 Å²	131.1	100%	1.446	86%	0.86	S	S	*	*			trans	-105.7	0	138.6	-70.4	0	0	0	0	106.2

Retrieved 223 of 223 residues in 98.3 ms (Link to these results)

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