A0A087YP64_POEFO Loading...

Dopamine beta-hydroxylase

Catalyzes the hydroxylation of dopamine to noradrenaline (also known as norepinephrine), and is thus vital for regulation of these neurotransmitters.

AlphaFold DB , UniProt , Accession A0A087YP64, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 619 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	L	38.2	Very low	46.9	Very low	223 Å²	223	132.2 Å²	132.2	100%	1.168	72%	0.717	S	S	*	*				0	100.6	0	-81.3	154.7	0	0	0	107.4
2	N	42.9	Very low	47.7	Very low	160 Å²	160	133.8 Å²	133.8	86%	0.856	71%	0.712	S	S	*	*			trans	-66.7	125.3	174.5	-84.6	-19.3	0	0	0	109.6
3	F	38	Very low	48.6	Very low	205 Å²	205	128.6 Å²	128.6	90%	0.899	69%	0.689	S	S	*	*			trans	-147.3	103.7	155.1	-102.5	-79.8	0	0	0	111.7
4	S	41	Very low	49.5	Very low	79 Å²	79	126.8 Å²	126.8	55%	0.552	68%	0.677	S	S	*	*			trans	50	99.7	138.6	-178.5	0	0	0	0	119.1	T6	S4-T6 VanDerWaalsContact C-N 3.29Å; S4-T6 PolarHBondContact OG-N 3.1Å; S4-T6 PolarHBondContact OG-OG1 2.86Å
5	S	47.7	Very low	50.2	Low	117 Å²	117	127.1 Å²	127.1	82%	0.818	68%	0.675	S	S	*	*	S	Bend	trans	-92.4	27.3	156.4	76.7	0	0	0	0	112.2
6	T	50.5	Low	51	Low	87 Å²	87	129.8 Å²	129.8	53%	0.534	68%	0.675	S	S	.	*			trans	-95.6	-18.5	-171	45.8	0	0	0	0	114.5	S4	S4-T6 VanDerWaalsContact C-N 3.29Å; S4-T6 PolarHBondContact OG-N 3.1Å; S4-T6 PolarHBondContact OG-OG1 2.86Å
7	S	49.8	Very low	51.5	Low	75 Å²	75	130.2 Å²	130.2	52%	0.524	67%	0.67	S	S	.	*	H	α-helix	trans	-78.4	-38.1	-172.9	171.2	0	0	0	0	114.8	R9	S7-R9 VanDerWaalsContact C-N 3.31Å; S7-R9 PolarHBondContact O-N 2.73Å
8	A	50	Low	52.2	Low	77 Å²	77	127.4 Å²	127.4	64%	0.636	66%	0.66	S	S	*	*	H	α-helix	trans	-73.8	-19.5	-174.8	0	0	0	0	0	114.5
9	R	50.1	Low	52.6	Low	208 Å²	208	122.7 Å²	122.7	79%	0.785	65%	0.647	S	S	*	*	H	α-helix	trans	-87.7	-30.2	-179.1	-139.1	176.2	-174.1	171.2	0.7	111.7	S7 T13	S7-R9 VanDerWaalsContact C-N 3.31Å; S7-R9 PolarHBondContact O-N 2.73Å; R9-T13 PolarHBondContact O-N 3.41Å; R9-T13 PolarHBondContact O-OG1 3.35Å
10	E	52.3	Low	52.9	Low	123 Å²	123	120.8 Å²	120.8	58%	0.575	64%	0.636	S	S	*	*	H	α-helix	trans	-68.9	-42	175	-75.9	178.3	153.2	0	0	111.3	F12 T13 I14	E10-F12 PolarHBondContact O-N 3.21Å; E10-T13 PolarHBondContact O-N 2.8Å; E10-I14 WeakPolarHBondContact O-CG1 3.4Å; E10-I14 PolarHBondContact O-N 3.4Å
11	D	55.3	Low	53	Low	100 Å²	100	117.6 Å²	117.6	54%	0.535	63%	0.627	S	S	.	*	H	α-helix	trans	-65.2	-40.8	-178.5	-70.1	-25.2	0	0	0	113.2	T13 I14 M15	D11-T13 VanDerWaalsContact C-N 3.31Å; D11-T13 PolarHBondContact O-N 2.92Å; D11-I14 PolarHBondContact O-N 3.45Å; D11-M15 WeakPolarHBondContact O-CB 3.35Å; D11-M15 PolarHBondContact O-N 3.12Å
12	F	56.8	Low	54	Low	152 Å²	152	109.3 Å²	109.3	67%	0.667	59%	0.591	S	S	*	*	H	α-helix	trans	-66.1	-34.7	174.9	-106.3	-84.8	0	0	0	112.5	E10 Y16	E10-F12 PolarHBondContact O-N 3.21Å; F12-Y16 VanDerWaalsContact O-CB 3.27Å; F12-Y16 WeakPolarHBondContact O-CB 3.28Å; F12-Y16 PolarHBondContact O-N 3.4Å
13	T	59.3	Low	54.5	Low	66 Å²	66	107 Å²	107	41%	0.405	58%	0.578	S	S	.	*	H	α-helix	trans	-72.9	-40.9	-179.4	-46.4	0	0	0	0	110.2	R9 E10 D11 Y16 F17	R9-T13 PolarHBondContact O-N 3.41Å; R9-T13 PolarHBondContact O-OG1 3.35Å; E10-T13 PolarHBondContact O-N 2.8Å; D11-T13 VanDerWaalsContact C-N 3.31Å; D11-T13 PolarHBondContact O-N 2.92Å; T13-Y16 PolarHBondContact O-N 3.17Å; T13-F17 HydrophobicContact CG2-CD2 3.65Å; T13-F17 HydrophobicContact CG2-CE2 3.55Å; T13-F17 WeakPolarHBondContact O-CB 3.38Å; T13-F17 WeakPolarHBondContact O-CD2 3.25Å; T13-F17 PolarHBondContact O-N 3.05Å
14	I	60.5	Low	55	Low	103 Å²	103	103.3 Å²	103.3	53%	0.528	57%	0.565	S	S	.	*	H	α-helix	trans	-65.2	-42.5	175.4	-67	166.7	0	0	0	110.7	E10 D11 Y16 F17 T18	E10-I14 WeakPolarHBondContact O-CG1 3.4Å; E10-I14 PolarHBondContact O-N 3.4Å; D11-I14 PolarHBondContact O-N 3.45Å; I14-Y16 VanDerWaalsContact C-N 3.35Å; I14-Y16 PolarHBondContact O-N 3.21Å; I14-F17 PolarHBondContact O-N 3.01Å; I14-T18 HydrophobicContact CG2-CG2 4.4Å; I14-T18 WeakPolarHBondContact O-CB 3.04Å; I14-T18 WeakPolarHBondContact O-CG2 3.07Å; I14-T18 PolarHBondContact O-N 3.44Å; I14-T18 PolarHBondContact O-OG1 3.48Å
15	M	60.4	Low	55.5	Low	131 Å²	131	104.5 Å²	104.5	65%	0.645	57%	0.569	S	S	*	*	H	α-helix	trans	-67.1	-35.3	178	-140.3	178.7	68.3	0	0	112.4	D11 T18 G19	D11-M15 WeakPolarHBondContact O-CB 3.35Å; D11-M15 PolarHBondContact O-N 3.12Å; M15-T18 WeakPolarHBondContact CA-OG1 3.49Å; M15-T18 PolarHBondContact O-OG1 3.01Å; M15-G19 PolarHBondContact O-N 3.04Å
16	Y	63.8	Low	55.5	Low	170 Å²	170	105 Å²	105	67%	0.667	56%	0.561	S	S	*	*	H	α-helix	trans	-71.5	-40.6	175.1	-160.4	-99.2	0	0	0	112.3	F12 T13 I14 L20	F12-Y16 VanDerWaalsContact O-CB 3.27Å; F12-Y16 WeakPolarHBondContact O-CB 3.28Å; F12-Y16 PolarHBondContact O-N 3.4Å; T13-Y16 PolarHBondContact O-N 3.17Å; I14-Y16 VanDerWaalsContact C-N 3.35Å; I14-Y16 PolarHBondContact O-N 3.21Å; Y16-L20 HydrophobicContact CD1-CD1 3.62Å; Y16-L20 HydrophobicContact CE1-CD1 3.43Å; Y16-L20 VanDerWaalsContact CE1-CD1 3.43Å; Y16-L20 WeakPolarHBondContact O-CB 3.33Å; Y16-L20 PolarHBondContact O-N 2.78Å
17	F	58.8	Low	55.1	Low	137 Å²	137	107 Å²	107	60%	0.601	57%	0.567	S	S	*	*	H	α-helix	trans	-71.8	-36.2	176.5	-86.1	-67.7	0	0	0	113.2	T13 I14 L20 A21	T13-F17 HydrophobicContact CG2-CD2 3.65Å; T13-F17 HydrophobicContact CG2-CE2 3.55Å; T13-F17 WeakPolarHBondContact O-CB 3.38Å; T13-F17 WeakPolarHBondContact O-CD2 3.25Å; T13-F17 PolarHBondContact O-N 3.05Å; I14-F17 PolarHBondContact O-N 3.01Å; F17-L20 PolarHBondContact O-N 2.9Å; F17-A21 WeakPolarHBondContact O-CB 3.47Å; F17-A21 PolarHBondContact O-N 3.02Å
18	T	64.6	Low	54.7	Low	80 Å²	80	108.8 Å²	108.8	49%	0.491	58%	0.575	S	S	.	*	H	α-helix	trans	-70.3	-36.2	173.2	47.1	0	0	0	0	112	I14 M15 A21 A22	I14-T18 HydrophobicContact CG2-CG2 4.4Å; I14-T18 WeakPolarHBondContact O-CB 3.04Å; I14-T18 WeakPolarHBondContact O-CG2 3.07Å; I14-T18 PolarHBondContact O-N 3.44Å; I14-T18 PolarHBondContact O-OG1 3.48Å; M15-T18 WeakPolarHBondContact CA-OG1 3.49Å; M15-T18 PolarHBondContact O-OG1 3.01Å; T18-A21 PolarHBondContact O-N 2.94Å; T18-A22 VanDerWaalsContact O-CB 3.29Å; T18-A22 WeakPolarHBondContact O-CB 3.25Å; T18-A22 PolarHBondContact O-N 2.85Å
19	G	60.1	Low	54.2	Low	39 Å²	39	108.1 Å²	108.1	40%	0.402	57%	0.569	S	S	.	*	H	α-helix	trans	-63.2	-44.8	170.2	0	0	0	0	0	112.9	M15 A22 L23	M15-G19 PolarHBondContact O-N 3.04Å; G19-A22 PolarHBondContact O-N 3Å; G19-L23 WeakPolarHBondContact O-CB 3.39Å; G19-L23 PolarHBondContact O-N 3.14Å
20	L	57.3	Low	53.9	Low	83 Å²	83	102.8 Å²	102.8	44%	0.435	56%	0.564	S	S	.	*	H	α-helix	trans	-66.5	-38.7	174.8	-95.1	157.8	0	0	0	112.9	Y16 F17 L23 M24	Y16-L20 HydrophobicContact CD1-CD1 3.62Å; Y16-L20 HydrophobicContact CE1-CD1 3.43Å; Y16-L20 VanDerWaalsContact CE1-CD1 3.43Å; Y16-L20 WeakPolarHBondContact O-CB 3.33Å; Y16-L20 PolarHBondContact O-N 2.78Å; F17-L20 PolarHBondContact O-N 2.9Å; L20-L23 PolarHBondContact O-N 3.21Å; L20-M24 WeakPolarHBondContact O-CB 3.45Å; L20-M24 PolarHBondContact O-N 3.16Å
21	A	56.6	Low	53.1	Low	54 Å²	54	107.4 Å²	107.4	45%	0.446	58%	0.578	S	S	.	*	H	α-helix	trans	-67.5	-39.8	175.5	0	0	0	0	0	111.4	F17 T18 M24 V25	F17-A21 WeakPolarHBondContact O-CB 3.47Å; F17-A21 PolarHBondContact O-N 3.02Å; T18-A21 PolarHBondContact O-N 2.94Å; A21-M24 PolarHBondContact O-N 3.35Å; A21-V25 WeakPolarHBondContact O-CB 3.26Å; A21-V25 WeakPolarHBondContact O-CG2 3.24Å; A21-V25 PolarHBondContact O-N 3.27Å
22	A	57.6	Low	52.1	Low	49 Å²	49	110.8 Å²	110.8	41%	0.405	59%	0.59	S	S	.	*	H	α-helix	trans	-67.8	-38.3	174.2	0	0	0	0	0	112	T18 G19 V25 I26	T18-A22 VanDerWaalsContact O-CB 3.29Å; T18-A22 WeakPolarHBondContact O-CB 3.25Å; T18-A22 PolarHBondContact O-N 2.85Å; G19-A22 PolarHBondContact O-N 3Å; A22-V25 PolarHBondContact O-N 2.88Å; A22-I26 WeakPolarHBondContact O-CB 3.33Å; A22-I26 WeakPolarHBondContact O-CD1 3.34Å; A22-I26 WeakPolarHBondContact O-CG1 3.05Å; A22-I26 PolarHBondContact O-N 3.41Å
23	L	53.6	Low	51	Low	111 Å²	111	107.1 Å²	107.1	58%	0.581	59%	0.589	S	S	*	*	H	α-helix	trans	-67	-38.9	174.6	-143.1	99.5	0	0	0	111.8	G19 L20 I26 L27	G19-L23 WeakPolarHBondContact O-CB 3.39Å; G19-L23 PolarHBondContact O-N 3.14Å; L20-L23 PolarHBondContact O-N 3.21Å; L23-I26 PolarHBondContact O-N 3.33Å; L23-L27 HydrophobicContact CD2-CD1 4.35Å; L23-L27 WeakPolarHBondContact O-CB 3.39Å; L23-L27 PolarHBondContact O-N 3.49Å
24	M	49.7	Very low	49.8	Very low	128 Å²	128	109 Å²	109	63%	0.631	60%	0.601	S	S	*	*	H	α-helix	trans	-65.2	-41.8	171.6	-91.9	-73.4	-161.3	0	0	111.8	L20 A21 I26 L27 V28	L20-M24 WeakPolarHBondContact O-CB 3.45Å; L20-M24 PolarHBondContact O-N 3.16Å; A21-M24 PolarHBondContact O-N 3.35Å; M24-I26 VanDerWaalsContact C-N 3.33Å; M24-I26 PolarHBondContact O-N 3.25Å; M24-L27 CarbonylContact O-C 3.51Å; M24-L27 PolarHBondContact O-N 3.34Å; M24-V28 VanDerWaalsContact O-CB 3.29Å; M24-V28 WeakPolarHBondContact O-CB 3.31Å; M24-V28 WeakPolarHBondContact O-CG2 3.04Å; M24-V28 PolarHBondContact O-N 3.4Å
25	V	50.9	Low	49	Very low	105 Å²	105	109.5 Å²	109.5	64%	0.636	61%	0.614	S	S	*	*	H	α-helix	trans	-69.8	-30.9	177.8	171.4	0	0	0	0	111.7	A21 A22 V28 A29	A21-V25 WeakPolarHBondContact O-CB 3.26Å; A21-V25 WeakPolarHBondContact O-CG2 3.24Å; A21-V25 PolarHBondContact O-N 3.27Å; A22-V25 PolarHBondContact O-N 2.88Å; V25-V28 CarbonylContact O-C 3.59Å; V25-V28 PolarHBondContact O-N 3.18Å; V25-A29 PolarHBondContact O-N 3.44Å; V25-A29 VanDerWaalsContact O-N 3.15Å
26	I	48.4	Very low	48.3	Very low	128 Å²	128	110.4 Å²	110.4	66%	0.656	62%	0.621	S	S	*	*	H	α-helix	trans	-76.4	-30.6	173.4	-66.9	165	0	0	0	111.6	A22 L23 M24 A29	A22-I26 WeakPolarHBondContact O-CB 3.33Å; A22-I26 WeakPolarHBondContact O-CD1 3.34Å; A22-I26 WeakPolarHBondContact O-CG1 3.05Å; A22-I26 PolarHBondContact O-N 3.41Å; L23-I26 PolarHBondContact O-N 3.33Å; M24-I26 VanDerWaalsContact C-N 3.33Å; M24-I26 PolarHBondContact O-N 3.25Å; I26-A29 WeakPolarHBondContact O-CB 3.39Å; I26-A29 PolarHBondContact O-N 2.94Å
27	L	41.7	Very low	48	Very low	127 Å²	127	107.4 Å²	107.4	67%	0.665	62%	0.622	S	S	*	*	H	α-helix	trans	-77.6	-19.9	170.4	-83.7	156.5	0	0	0	113.3	L23 M24	L23-L27 HydrophobicContact CD2-CD1 4.35Å; L23-L27 WeakPolarHBondContact O-CB 3.39Å; L23-L27 PolarHBondContact O-N 3.49Å; M24-L27 CarbonylContact O-C 3.51Å; M24-L27 PolarHBondContact O-N 3.34Å
28	V	40.8	Very low	48.4	Very low	114 Å²	114	106.5 Å²	106.5	69%	0.691	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	7.5	173	179.3	0	0	0	0	111.4	M24 V25 S30	M24-V28 VanDerWaalsContact O-CB 3.29Å; M24-V28 WeakPolarHBondContact O-CB 3.31Å; M24-V28 WeakPolarHBondContact O-CG2 3.04Å; M24-V28 PolarHBondContact O-N 3.4Å; V25-V28 CarbonylContact O-C 3.59Å; V25-V28 PolarHBondContact O-N 3.18Å; V28-S30 PolarHBondContact O-N 3.03Å
29	A	40.6	Very low	49	Very low	62 Å²	62	105.9 Å²	105.9	51%	0.512	62%	0.624	S	S	.	*	S	Bend	trans	-69.4	84.6	162.3	0	0	0	0	0	108.7	V25 I26 Y31	V25-A29 PolarHBondContact O-N 3.44Å; V25-A29 VanDerWaalsContact O-N 3.15Å; I26-A29 WeakPolarHBondContact O-CB 3.39Å; I26-A29 PolarHBondContact O-N 2.94Å; A29-Y31 PolarHBondContact O-N 2.94Å; A29-Y31 VanDerWaalsContact O-N 3.16Å
30	S	42.2	Very low	50.2	Low	97 Å²	97	108.3 Å²	108.3	68%	0.678	63%	0.633	S	S	*	*			trans	30.8	75.4	158.6	60.1	0	0	0	0	114.3	V28 Q32	V28-S30 PolarHBondContact O-N 3.03Å; S30-Q32 PolarHBondContact O-N 2.72Å
31	Y	35.8	Very low	51.8	Low	220 Å²	220	105.2 Å²	105.2	86%	0.863	62%	0.616	S	S	*	*			trans	-62.9	81	142.3	-110	-94.7	0	0	0	105.8	A29 A33	A29-Y31 PolarHBondContact O-N 2.94Å; A29-Y31 VanDerWaalsContact O-N 3.16Å; Y31-A33 PolarHBondContact O-N 2.94Å
32	Q	34.9	Very low	53.3	Low	170 Å²	170	105.3 Å²	105.3	79%	0.794	61%	0.612	S	S	*	*			trans	-60.5	103.2	150.4	-78.2	-177.7	-19.9	0	0	103.1	S30	S30-Q32 PolarHBondContact O-N 2.72Å
33	A	33.8	Very low	54.9	Low	76 Å²	76	103.9 Å²	103.9	63%	0.628	60%	0.597	S	S	*	*			trans	-44.1	124.3	163.3	0	0	0	0	0	105.2	Y31 S35	Y31-A33 PolarHBondContact O-N 2.94Å; A33-S35 PolarHBondContact O-N 3.11Å
34	P	33.1	Very low	56.7	Low	104 Å²	104	105.6 Å²	105.6	68%	0.675	60%	0.596	S	S	*	*			trans	-49.4	122.1	178.3	18.9	-29.4	0	0	0	105.4	L36	P34-L36 PolarHBondContact O-N 2.71Å
35	S	43.4	Very low	58.7	Low	114 Å²	114	99.7 Å²	99.7	80%	0.797	57%	0.566	S	S	*	*			trans	-57.6	97.1	177.1	55.8	0	0	0	0	105	A33 P37	A33-S35 PolarHBondContact O-N 3.11Å; S35-P37 VanDerWaalsContact O-N 3.14Å
36	L	46.6	Very low	60.6	Low	150 Å²	150	96 Å²	96	79%	0.785	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-53.7	128.3	177.4	-80.4	162.2	0	0	0	104.2	P34	P34-L36 PolarHBondContact O-N 2.71Å
37	P	57.1	Low	62.7	Low	107 Å²	107	90 Å²	90	70%	0.695	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-49.6	135.4	175.2	19.5	-29.8	0	0	0	107.3	S35 L39	S35-P37 VanDerWaalsContact O-N 3.14Å; P37-L39 PolarHBondContact O-N 3.34Å; P37-L39 VanDerWaalsContact O-N 3.08Å
38	P	66.9	Low	64.9	Low	119 Å²	119	84.7 Å²	84.7	77%	0.773	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-52.1	125.2	-174.8	18.6	-29.9	0	0	0	108.5	P40	P38-P40 WeakPolarHBondContact O-CD 3.49Å
39	L	76.9	Confident	66.9	Low	67 Å²	67	80.4 Å²	80.4	35%	0.351	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-55.4	117.4	179.8	-173.8	74.1	0	0	0	107.2	P37 M41 N58 Y67	P37-L39 PolarHBondContact O-N 3.34Å; P37-L39 VanDerWaalsContact O-N 3.08Å; L39-M41 HydrophobicContact CB-CE 4.32Å; L39-M41 HydrophobicContact CD2-CE 3.84Å; L39-M41 HydrophobicContact CG-CE 4.32Å; L39-M41 PolarHBondContact O-N 3.43Å; L39-N58 HydrophobicContact CD2-CB 4.45Å; L39-Y67 VanDerWaalsContact CD2-CB 3.47Å; L39-Y67 HydrophobicContact CD2-CD1 3.47Å; L39-Y67 VanDerWaalsContact CD2-CD1 3.47Å; L39-Y67 HydrophobicContact CD2-CD2 3.93Å; L39-Y67 HydrophobicContact CD2-CE1 4.15Å; L39-Y67 HydrophobicContact CD2-CG 3.34Å
40	P	86.4	Confident	69	Low	90 Å²	90	82.9 Å²	82.9	58%	0.584	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-62.3	137.4	-179.2	24.6	-32	0	0	0	108.6	P38 P42 N58	P38-P40 WeakPolarHBondContact O-CD 3.49Å; P40-P42 WeakPolarHBondContact O-CD 3.2Å; P40-N58 WeakPolarHBondContact O-CB 3.29Å; P40-N58 PolarHBondContact O-ND2 3.18Å
41	M	90.4	Very high	71	Confident	17 Å²	17	80 Å²	80	8%	0.084	45%	0.45	C	S	.	.			trans	-109.5	85.5	174.7	-63.7	-64.4	170.4	0	0	107.8	L39 F43 R44 A56 N58 Q69 L140	L39-M41 HydrophobicContact CB-CE 4.32Å; L39-M41 HydrophobicContact CD2-CE 3.84Å; L39-M41 HydrophobicContact CG-CE 4.32Å; L39-M41 PolarHBondContact O-N 3.43Å; M41-F43 VanDerWaalsContact C-N 3.34Å; M41-R44 PolarHBondContact O-NH2 3.27Å; M41-A56 HydrophobicContact CB-CB 3.9Å; M41-A56 HydrophobicContact CG-CB 4.39Å; M41-N58 HydrophobicContact SD-CB 4.11Å; M41-Q69 HydrophobicContact CE-CB 4.03Å; M41-Q69 HydrophobicContact CG-CB 4.29Å; M41-Q69 HydrophobicContact SD-CB 4.23Å; M41-L140 HydrophobicContact CE-CD1 3.3Å
42	P	88.6	Confident	73.6	Confident	57 Å²	57	72.6 Å²	72.6	37%	0.37	43%	0.425	S	S	.	.			trans	-64.3	-41.6	-175.1	24.5	-32.9	0	0	0	111	P40 W57	P40-P42 WeakPolarHBondContact O-CD 3.2Å; P42-W57 WeakPolarHBondContact CD-O 3.4Å
43	F	90.9	Very high	76.4	Confident	18 Å²	18	64.7 Å²	64.7	8%	0.079	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	141.6	-175.7	-46.3	-60.3	0	0	0	111.4	M41 A56 W57 I59 R193 E301	M41-F43 VanDerWaalsContact C-N 3.34Å; F43-A56 CarbonylContact O-C 3.57Å; F43-A56 WeakPolarHBondContact O-CA 3.42Å; F43-A56 WeakPolarHBondContact O-CB 3.23Å; F43-W57 HydrophobicContact CB-CD2 3.57Å; F43-W57 HydrophobicContact CB-CE3 3.77Å; F43-W57 HydrophobicContact CB-CG 4.27Å; F43-W57 HydrophobicContact CB-CH2 3.6Å; F43-W57 HydrophobicContact CB-CZ2 3.42Å; F43-W57 VanDerWaalsContact CB-CZ2 3.42Å; F43-W57 HydrophobicContact CB-CZ3 3.78Å; F43-W57 AromaticContact CD2-CD1 3.87Å; F43-W57 HydrophobicContact CD2-CD2 4.36Å; F43-W57 AromaticContact CD2-CE2 3.84Å; F43-W57 HydrophobicContact CD2-CG 4.37Å; F43-W57 HydrophobicContact CD2-CZ2 4.35Å; F43-W57 AromaticContact CD2-NE1 3.53Å; F43-W57 HydrophobicContact CG-CD2 4.4Å; F43-W57 AromaticContact CG-CE2 3.87Å; F43-W57 AromaticContact CG-CZ2 3.98Å; F43-W57 HydrophobicContact CG-CZ2 3.98Å; F43-W57 PolarHBondContact N-O 3.05Å; F43-W57 PolarHBondContact O-N 3.44Å; F43-I59 HydrophobicContact CD2-CD1 4.31Å; F43-I59 HydrophobicContact CE2-CD1 3.68Å; F43-I59 HydrophobicContact CE2-CG1 4.2Å; F43-I59 HydrophobicContact CZ-CD1 4.48Å; F43-R193 HydrophobicContact CE1-CB 4.36Å; F43-R193 HydrophobicContact CE2-CB 4.36Å; F43-R193 HydrophobicContact CZ-CB 3.94Å; F43-R193 HydrophobicContact CZ-CG 4.48Å; F43-E301 VanDerWaalsContact CE1-OE2 3.29Å; F43-E301 WeakPolarHBondContact CE1-OE2 3.48Å
44	R	91.6	Very high	79.3	Confident	148 Å²	148	63.8 Å²	63.8	56%	0.558	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.9	149	178.3	66	-167.8	68.2	-152	-4.6	112.5	M41 L55 A56	M41-R44 PolarHBondContact O-NH2 3.27Å; R44-L55 CarbonylContact C-O 3.55Å; R44-L55 VanDerWaalsContact CA-O 3.22Å; R44-L55 WeakPolarHBondContact CA-O 3.09Å; R44-A56 HydrophobicContact CB-CB 4.07Å
45	M	90.9	Very high	82.3	Confident	3 Å²	3	58.9 Å²	58.9	2%	0.015	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	147.6	171.3	67.7	-176.9	-167.2	0	0	111.5	L47 L55 W57 Q187 V189	M45-L47 HydrophobicContact CE-CD2 3.74Å; M45-L55 HydrophobicContact CE-CD2 3.77Å; M45-L55 HydrophobicContact CG-CB 4.28Å; M45-L55 PolarHBondContact N-O 3.47Å; M45-L55 PolarHBondContact O-N 3.18Å; M45-W57 HydrophobicContact CG-CZ3 4.25Å; M45-Q187 HydrophobicContact CE-CB 4.03Å; M45-Q187 HydrophobicContact CE-CG 3.52Å; M45-Q187 HydrophobicContact SD-CG 3.95Å; M45-V189 HydrophobicContact CE-CB 3.67Å; M45-V189 HydrophobicContact CE-CG1 4.05Å; M45-V189 HydrophobicContact CE-CG2 4.04Å; M45-V189 HydrophobicContact SD-CB 3.79Å; M45-V189 HydrophobicContact SD-CG2 3.66Å
46	P	92.4	Very high	84.8	Confident	28 Å²	28	53.7 Å²	53.7	18%	0.182	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	147.7	164.3	30.6	-33.5	0	0	0	109.7	E252 A253 M298	P46-E252 HydrophobicContact CG-CB 4.38Å; P46-A253 HydrophobicContact CB-CB 4.31Å; P46-A253 HydrophobicContact CG-CB 4.17Å; P46-M298 HydrophobicContact CG-SD 4.08Å
47	L	91.9	Very high	87.1	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.016	27%	0.266	C	S	.	.			trans	-96.7	-41.3	172.1	-69.7	179.6	0	0	0	111.1	M45 L53 L55 L70 L81 V162 Y164 Q187	M45-L47 HydrophobicContact CE-CD2 3.74Å; L47-L53 HydrophobicContact CB-CB 3.83Å; L47-L53 HydrophobicContact CD1-CB 4.22Å; L47-L53 HydrophobicContact CG-CB 4.46Å; L47-L53 PolarHBondContact N-O 3.37Å; L47-L55 HydrophobicContact CD1-CB 4.17Å; L47-L55 HydrophobicContact CD2-CB 3.96Å; L47-L55 HydrophobicContact CD2-CD2 4.49Å; L47-L55 HydrophobicContact CG-CB 4Å; L47-L70 HydrophobicContact CD1-CD1 3.71Å; L47-L81 HydrophobicContact CD1-CD1 3.8Å; L47-V162 HydrophobicContact CD2-CG1 4.39Å; L47-Y164 VanDerWaalsContact C-CZ 3.5Å; L47-Y164 HydrophobicContact CB-CD1 3.8Å; L47-Y164 HydrophobicContact CB-CD2 4.36Å; L47-Y164 HydrophobicContact CB-CE1 3.8Å; L47-Y164 HydrophobicContact CB-CE2 4.39Å; L47-Y164 HydrophobicContact CB-CG 4.08Å; L47-Y164 HydrophobicContact CD1-CD1 4.3Å; L47-Y164 HydrophobicContact CD1-CG 4.19Å; L47-Y164 HydrophobicContact CD2-CD1 4.23Å; L47-Y164 HydrophobicContact CG-CD1 4.34Å; L47-Y164 WeakPolarHBondContact O-CE1 3.29Å; L47-Y164 PolarHBondContact O-OH 2.66Å; L47-Q187 HydrophobicContact CD2-CB 3.94Å; L47-Q187 HydrophobicContact CD2-CG 4.3Å
48	D	88.4	Confident	88.8	Confident	15 Å²	15	43 Å²	43	8%	0.08	24%	0.241	C	C	.	.	S	Bend	trans	-113.2	151.6	-175.1	72.2	-62.7	0	0	0	114	L50 G51 N52 L53 Y164 A253	D48-L50 PolarHBondContact O-N 2.87Å; D48-L50 WeakPolarHBondContact OD2-CA 3.42Å; D48-L50 VanDerWaalsContact OD2-CB 3.32Å; D48-L50 WeakPolarHBondContact OD2-CB 3.4Å; D48-L50 PolarHBondContact OD2-N 2.89Å; D48-G51 PolarHBondContact O-N 2.98Å; D48-G51 PolarHBondContact OD2-N 2.88Å; D48-G51 VanDerWaalsContact OD2-N 3.16Å; D48-N52 PolarHBondContact OD1-N 3.27Å; D48-N52 WeakPolarHBondContact OD2-CB 3.13Å; D48-N52 PolarHBondContact OD2-N 2.86Å; D48-N52 VanDerWaalsContact OD2-N 3.08Å; D48-L53 WeakPolarHBondContact OD1-CA 3.01Å; D48-L53 WeakPolarHBondContact OD1-CB 3.35Å; D48-L53 PolarHBondContact OD1-N 2.67Å; D48-Y164 VanDerWaalsContact CA-OH 3.32Å; D48-Y164 WeakPolarHBondContact CA-OH 3.47Å; D48-Y164 HydrophobicContact CB-CE2 3.86Å; D48-A253 WeakPolarHBondContact O-CB 3.39Å
49	P	81.6	Confident	90.1	Very high	24 Å²	24	37.9 Å²	37.9	16%	0.156	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-18.1	177.7	-27.9	36.5	0	0	0	116.6	A253 P331 L332	P49-A253 VanDerWaalsContact CA-CB 3.49Å; P49-P331 HydrophobicContact CG-CG 4.1Å; P49-L332 HydrophobicContact CB-CD1 3.95Å; P49-L332 HydrophobicContact CB-CG 4.49Å; P49-L332 HydrophobicContact CG-CD1 4.3Å; P49-L332 HydrophobicContact CG-CG 4.44Å
50	L	84.4	Confident	90.8	Very high	114 Å²	114	36 Å²	36	60%	0.597	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-9.1	179.8	-56.5	174.2	0	0	0	112.3	D48 N52 L332	D48-L50 PolarHBondContact O-N 2.87Å; D48-L50 WeakPolarHBondContact OD2-CA 3.42Å; D48-L50 VanDerWaalsContact OD2-CB 3.32Å; D48-L50 WeakPolarHBondContact OD2-CB 3.4Å; D48-L50 PolarHBondContact OD2-N 2.89Å; L50-N52 VanDerWaalsContact C-N 3.32Å; L50-L332 HydrophobicContact CD2-CD1 4.28Å; L50-L332 HydrophobicContact CG-CD1 4.28Å
51	G	84.3	Confident	91	Very high	35 Å²	35	35.3 Å²	35.3	36%	0.361	19%	0.186	S	C	.	.	S	Bend	trans	72.9	21.3	-179.5	0	0	0	0	0	114.2	D48 L53	D48-G51 PolarHBondContact O-N 2.98Å; D48-G51 PolarHBondContact OD2-N 2.88Å; D48-G51 VanDerWaalsContact OD2-N 3.16Å; G51-L53 VanDerWaalsContact C-N 3.32Å
52	N	90.3	Very high	91	Very high	65 Å²	65	39.2 Å²	39.2	35%	0.348	22%	0.221	S	C	.	.			trans	-75.5	-23.8	177.9	-67.2	-38.4	0	0	0	112.7	D48 L50 V72 A73	D48-N52 PolarHBondContact OD1-N 3.27Å; D48-N52 WeakPolarHBondContact OD2-CB 3.13Å; D48-N52 PolarHBondContact OD2-N 2.86Å; D48-N52 VanDerWaalsContact OD2-N 3.08Å; L50-N52 VanDerWaalsContact C-N 3.32Å; N52-V72 CarbonylContact O-C 3.52Å; N52-V72 WeakPolarHBondContact O-CA 3.38Å; N52-A73 HydrophobicContact CB-CB 4.38Å; N52-A73 PolarHBondContact O-N 2.84Å
53	L	94.1	Very high	91.1	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.7	-177.3	-71	172.5	0	0	0	109.4	L47 D48 G51 L70 R71 V72 V79 Y164 L166	L47-L53 HydrophobicContact CB-CB 3.83Å; L47-L53 HydrophobicContact CD1-CB 4.22Å; L47-L53 HydrophobicContact CG-CB 4.46Å; L47-L53 PolarHBondContact N-O 3.37Å; D48-L53 WeakPolarHBondContact OD1-CA 3.01Å; D48-L53 WeakPolarHBondContact OD1-CB 3.35Å; D48-L53 PolarHBondContact OD1-N 2.67Å; G51-L53 VanDerWaalsContact C-N 3.32Å; L53-L70 HydrophobicContact CD2-CD1 4.37Å; L53-R71 WeakPolarHBondContact CA-O 3.45Å; L53-V72 HydrophobicContact CD2-CB 4.12Å; L53-V72 HydrophobicContact CD2-CG1 3.93Å; L53-V72 HydrophobicContact CD2-CG2 3.69Å; L53-V79 HydrophobicContact CD2-CG2 4.26Å; L53-Y164 HydrophobicContact CD1-CD2 3.41Å; L53-Y164 VanDerWaalsContact CD1-CD2 3.41Å; L53-Y164 HydrophobicContact CD1-CE2 3.99Å; L53-Y164 HydrophobicContact CD1-CG 4.22Å; L53-L166 HydrophobicContact CD1-CD2 4.39Å; L53-L166 HydrophobicContact CD1-CG 4.2Å; L53-L166 HydrophobicContact CD2-CD2 4.04Å
54	Q	95.2	Very high	91.2	Very high	58 Å²	58	42.2 Å²	42.2	27%	0.271	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127	174.5	178.4	177.9	79.3	0	0	109.7	R71	Q54-R71 HydrophobicContact CB-CB 4.31Å; Q54-R71 PolarHBondContact N-O 3.11Å; Q54-R71 PolarHBondContact O-N 2.91Å
55	L	95.9	Very high	91.3	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	133.5	172.2	-169.4	73.9	0	0	0	108.9	R44 M45 L47 W57 I68 L70 L81	R44-L55 CarbonylContact C-O 3.55Å; R44-L55 VanDerWaalsContact CA-O 3.22Å; R44-L55 WeakPolarHBondContact CA-O 3.09Å; M45-L55 HydrophobicContact CE-CD2 3.77Å; M45-L55 HydrophobicContact CG-CB 4.28Å; M45-L55 PolarHBondContact N-O 3.47Å; M45-L55 PolarHBondContact O-N 3.18Å; L47-L55 HydrophobicContact CD1-CB 4.17Å; L47-L55 HydrophobicContact CD2-CB 3.96Å; L47-L55 HydrophobicContact CD2-CD2 4.49Å; L47-L55 HydrophobicContact CG-CB 4Å; L55-W57 HydrophobicContact CD2-CE3 4.23Å; L55-W57 HydrophobicContact CG-CE3 4.33Å; L55-I68 HydrophobicContact CD1-CG2 3.47Å; L55-I68 VanDerWaalsContact CD1-CG2 3.47Å; L55-L70 HydrophobicContact CD1-CD1 4.46Å; L55-L81 HydrophobicContact CD1-CD2 3.94Å
56	A	95.3	Very high	91.6	Very high	4 Å²	4	36.5 Å²	36.5	3%	0.033	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	146.4	166.6	0	0	0	0	0	109.2	M41 F43 R44 Q69	M41-A56 HydrophobicContact CB-CB 3.9Å; M41-A56 HydrophobicContact CG-CB 4.39Å; F43-A56 CarbonylContact O-C 3.57Å; F43-A56 WeakPolarHBondContact O-CA 3.42Å; F43-A56 WeakPolarHBondContact O-CB 3.23Å; R44-A56 HydrophobicContact CB-CB 4.07Å; A56-Q69 HydrophobicContact CB-CB 4.43Å; A56-Q69 PolarHBondContact N-O 2.94Å; A56-Q69 PolarHBondContact O-N 3.07Å
57	W	95	Very high	91.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	161.8	-177.4	72.7	103.3	0	0	0	113.5	P42 F43 M45 L55 V66 Y67 I68 V189 L190 M191	P42-W57 WeakPolarHBondContact CD-O 3.4Å; F43-W57 HydrophobicContact CB-CD2 3.57Å; F43-W57 HydrophobicContact CB-CE3 3.77Å; F43-W57 HydrophobicContact CB-CG 4.27Å; F43-W57 HydrophobicContact CB-CH2 3.6Å; F43-W57 HydrophobicContact CB-CZ2 3.42Å; F43-W57 VanDerWaalsContact CB-CZ2 3.42Å; F43-W57 HydrophobicContact CB-CZ3 3.78Å; F43-W57 AromaticContact CD2-CD1 3.87Å; F43-W57 HydrophobicContact CD2-CD2 4.36Å; F43-W57 AromaticContact CD2-CE2 3.84Å; F43-W57 HydrophobicContact CD2-CG 4.37Å; F43-W57 HydrophobicContact CD2-CZ2 4.35Å; F43-W57 AromaticContact CD2-NE1 3.53Å; F43-W57 HydrophobicContact CG-CD2 4.4Å; F43-W57 AromaticContact CG-CE2 3.87Å; F43-W57 AromaticContact CG-CZ2 3.98Å; F43-W57 HydrophobicContact CG-CZ2 3.98Å; F43-W57 PolarHBondContact N-O 3.05Å; F43-W57 PolarHBondContact O-N 3.44Å; M45-W57 HydrophobicContact CG-CZ3 4.25Å; L55-W57 HydrophobicContact CD2-CE3 4.23Å; L55-W57 HydrophobicContact CG-CE3 4.33Å; W57-V66 HydrophobicContact CB-CG1 4.16Å; W57-V66 HydrophobicContact CG-CG1 4.48Å; W57-Y67 CarbonylContact C-O 3.57Å; W57-Y67 WeakPolarHBondContact CA-O 3.36Å; W57-Y67 VanDerWaalsContact CB-O 3.25Å; W57-Y67 WeakPolarHBondContact CB-O 3.1Å; W57-I68 HydrophobicContact CB-CG1 4.48Å; W57-V189 HydrophobicContact CH2-CG2 3.24Å; W57-V189 HydrophobicContact CZ2-CG2 3.5Å; W57-V189 HydrophobicContact CZ3-CG2 4.03Å; W57-L190 WeakPolarHBondContact CZ2-O 3.18Å; W57-M191 HydrophobicContact CB-SD 4.41Å; W57-M191 HydrophobicContact CD2-SD 4.12Å; W57-M191 HydrophobicContact CG-SD 3.82Å; W57-M191 PolarHBondContact NE1-O 2.04Å
58	N	93.9	Very high	92	Very high	32 Å²	32	37.5 Å²	37.5	17%	0.171	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	153.1	173.1	-166.3	-6.6	0	0	0	109.4	L39 P40 M41 Y67	L39-N58 HydrophobicContact CD2-CB 4.45Å; P40-N58 WeakPolarHBondContact O-CB 3.29Å; P40-N58 PolarHBondContact O-ND2 3.18Å; M41-N58 HydrophobicContact SD-CB 4.11Å; N58-Y67 PolarHBondContact N-O 2.87Å; N58-Y67 PolarHBondContact O-N 3.31Å
59	I	93.3	Very high	92.5	Very high	13 Å²	13	38.6 Å²	38.6	7%	0.067	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.1	-171.4	-50.8	160.5	0	0	0	108.6	F43 Y61 F145 M191 L192 R193	F43-I59 HydrophobicContact CD2-CD1 4.31Å; F43-I59 HydrophobicContact CE2-CD1 3.68Å; F43-I59 HydrophobicContact CE2-CG1 4.2Å; F43-I59 HydrophobicContact CZ-CD1 4.48Å; I59-Y61 HydrophobicContact CB-CE2 4.36Å; I59-Y61 HydrophobicContact CG2-CD1 4.46Å; I59-Y61 HydrophobicContact CG2-CD2 4Å; I59-Y61 HydrophobicContact CG2-CE1 4.21Å; I59-Y61 HydrophobicContact CG2-CE2 3.74Å; I59-Y61 HydrophobicContact CG2-CG 4.36Å; I59-F145 HydrophobicContact CG2-CE1 3.94Å; I59-F145 HydrophobicContact CG2-CZ 3.6Å; I59-M191 WeakPolarHBondContact CD1-O 3.38Å; I59-L192 HydrophobicContact CG2-CD2 4.15Å; I59-R193 HydrophobicContact CD1-CB 4.05Å; I59-R193 VanDerWaalsContact CD1-N 3.3Å
60	S	92.4	Very high	93.2	Very high	28 Å²	28	37.6 Å²	37.6	20%	0.196	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	99.4	168	175.5	0	0	0	0	109.3	A62 T63 Q64 E65	S60-A62 PolarHBondContact O-N 2.03Å; S60-T63 VanDerWaalsContact CB-OG1 3.22Å; S60-T63 WeakPolarHBondContact CB-OG1 3.46Å; S60-T63 PolarHBondContact OG-N 3.29Å; S60-T63 PolarHBondContact OG-OG1 2.68Å; S60-Q64 VanDerWaalsContact O-CA 3.24Å; S60-Q64 WeakPolarHBondContact O-CA 3.38Å; S60-Q64 PolarHBondContact O-N 2.71Å; S60-E65 PolarHBondContact N-O 3Å; S60-E65 PolarHBondContact O-N 2.81Å; S60-E65 VanDerWaalsContact O-N 3.08Å
61	Y	90.1	Very high	93.8	Very high	74 Å²	74	35 Å²	35	29%	0.29	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-26.6	174.5	-76.5	-72.1	0	0	0	113.1	I59 F145 R193 D195	I59-Y61 HydrophobicContact CB-CE2 4.36Å; I59-Y61 HydrophobicContact CG2-CD1 4.46Å; I59-Y61 HydrophobicContact CG2-CD2 4Å; I59-Y61 HydrophobicContact CG2-CE1 4.21Å; I59-Y61 HydrophobicContact CG2-CE2 3.74Å; I59-Y61 HydrophobicContact CG2-CG 4.36Å; Y61-F145 AromaticContact CD1-CE2 3.97Å; Y61-F145 HydrophobicContact CD1-CE2 3.97Å; Y61-F145 HydrophobicContact CD1-CZ 4.12Å; Y61-F145 HydrophobicContact CE1-CE2 4.18Å; Y61-F145 HydrophobicContact CE1-CZ 4.26Å; Y61-R193 VanDerWaalsContact CE2-O 3.26Å; Y61-R193 WeakPolarHBondContact CE2-O 3.31Å; Y61-R193 VanDerWaalsContact OH-C 3.27Å; Y61-R193 PolarHBondContact OH-N 3.08Å; Y61-R193 PolarHBondContact OH-O 2.84Å; Y61-D195 HydrophobicContact CD2-CB 4.39Å; Y61-D195 HydrophobicContact CE2-CB 4.36Å
62	A	90.4	Very high	94.4	Very high	100 Å²	100	33.3 Å²	33.3	83%	0.826	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-39.1	179.7	0	0	0	0	0	112.4	S60	S60-A62 PolarHBondContact O-N 2.03Å
63	T	91.3	Very high	94.6	Very high	77 Å²	77	31.5 Å²	31.5	47%	0.472	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-4.6	176.5	60.1	0	0	0	0	113.2	S60 E65	S60-T63 VanDerWaalsContact CB-OG1 3.22Å; S60-T63 WeakPolarHBondContact CB-OG1 3.46Å; S60-T63 PolarHBondContact OG-N 3.29Å; S60-T63 PolarHBondContact OG-OG1 2.68Å; T63-E65 VanDerWaalsContact C-N 3.32Å; T63-E65 WeakPolarHBondContact CB-OE2 3.32Å; T63-E65 PolarHBondContact O-N 2.79Å; T63-E65 PolarHBondContact OG1-OE2 3.07Å
64	Q	92.9	Very high	94.5	Very high	60 Å²	60	38.2 Å²	38.2	28%	0.28	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	46.7	-173.4	-60.7	-170.4	-26.5	0	0	112.4	S60 P144 F145	S60-Q64 VanDerWaalsContact O-CA 3.24Å; S60-Q64 WeakPolarHBondContact O-CA 3.38Å; S60-Q64 PolarHBondContact O-N 2.71Å; Q64-P144 CarbonylContact O-C 3.52Å; Q64-P144 WeakPolarHBondContact O-CA 3.43Å; Q64-F145 VanDerWaalsContact C-CD1 3.48Å; Q64-F145 HydrophobicContact CB-CB 4.44Å; Q64-F145 HydrophobicContact CB-CD2 3.64Å; Q64-F145 HydrophobicContact CB-CE2 3.95Å; Q64-F145 HydrophobicContact CB-CG 4Å; Q64-F145 HydrophobicContact CG-CD2 4.03Å; Q64-F145 HydrophobicContact CG-CE2 4.14Å; Q64-F145 VanDerWaalsContact O-CD1 3.3Å; Q64-F145 WeakPolarHBondContact O-CD1 3.04Å; Q64-F145 WeakPolarHBondContact O-CG 3.38Å; Q64-F145 PolarHBondContact O-N 2.92Å
65	E	94.4	Very high	94.4	Very high	31 Å²	31	37.9 Å²	37.9	15%	0.145	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.8	-180	-68	169.7	127.5	0	0	111.1	S60 T63 K142 R143	S60-E65 PolarHBondContact N-O 3Å; S60-E65 PolarHBondContact O-N 2.81Å; S60-E65 VanDerWaalsContact O-N 3.08Å; T63-E65 VanDerWaalsContact C-N 3.32Å; T63-E65 WeakPolarHBondContact CB-OE2 3.32Å; T63-E65 PolarHBondContact O-N 2.79Å; T63-E65 PolarHBondContact OG1-OE2 3.07Å; E65-K142 IonicContact OE1-NZ 3.41Å; E65-K142 PolarHBondContact OE1-NZ 2.85Å; E65-R143 WeakPolarHBondContact CA-O 3.45Å
66	V	95.8	Very high	94.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.2	168	-173	0	0	0	0	108.6	W57 I68 K142 R143 F145 I155 M191 L192	W57-V66 HydrophobicContact CB-CG1 4.16Å; W57-V66 HydrophobicContact CG-CG1 4.48Å; V66-I68 HydrophobicContact CB-CG1 4.48Å; V66-I68 HydrophobicContact CG1-CD1 4.27Å; V66-I68 HydrophobicContact CG1-CG1 3.74Å; V66-K142 CarbonylContact O-C 3.52Å; V66-K142 WeakPolarHBondContact O-CA 3.32Å; V66-R143 PolarHBondContact N-O 3.1Å; V66-R143 PolarHBondContact O-N 3.19Å; V66-F145 HydrophobicContact CG2-CD1 3.78Å; V66-F145 HydrophobicContact CG2-CE1 3.6Å; V66-I155 HydrophobicContact CG2-CD1 4.19Å; V66-M191 HydrophobicContact CG1-CG 4.15Å; V66-M191 HydrophobicContact CG1-SD 3.89Å; V66-M191 HydrophobicContact CG2-CG 4.11Å; V66-L192 HydrophobicContact CG2-CD2 4.31Å
67	Y	96.9	Very high	94.2	Very high	51 Å²	51	47.8 Å²	47.8	20%	0.2	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	123.4	169.6	-64.9	-96.8	0	0	0	108.4	L39 W57 N58 I128 K142	L39-Y67 VanDerWaalsContact CD2-CB 3.47Å; L39-Y67 HydrophobicContact CD2-CD1 3.47Å; L39-Y67 VanDerWaalsContact CD2-CD1 3.47Å; L39-Y67 HydrophobicContact CD2-CD2 3.93Å; L39-Y67 HydrophobicContact CD2-CE1 4.15Å; L39-Y67 HydrophobicContact CD2-CG 3.34Å; W57-Y67 CarbonylContact C-O 3.57Å; W57-Y67 WeakPolarHBondContact CA-O 3.36Å; W57-Y67 VanDerWaalsContact CB-O 3.25Å; W57-Y67 WeakPolarHBondContact CB-O 3.1Å; N58-Y67 PolarHBondContact N-O 2.87Å; N58-Y67 PolarHBondContact O-N 3.31Å; Y67-I128 HydrophobicContact CD1-CD1 3.65Å; Y67-I128 HydrophobicContact CE1-CD1 3.81Å; Y67-K142 HydrophobicContact CD1-CB 3.79Å; Y67-K142 HydrophobicContact CD1-CD 4.47Å; Y67-K142 HydrophobicContact CE1-CB 4.01Å; Y67-K142 HydrophobicContact CE1-CD 3.84Å; Y67-K142 HydrophobicContact CE1-CG 4.43Å; Y67-K142 HydrophobicContact CG-CB 4.26Å
68	I	97.3	Very high	94.1	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.5	-173.7	-60.3	172.3	0	0	0	108.6	L55 W57 V66 L81 M83 L140 F141 M191	L55-I68 HydrophobicContact CD1-CG2 3.47Å; L55-I68 VanDerWaalsContact CD1-CG2 3.47Å; W57-I68 HydrophobicContact CB-CG1 4.48Å; V66-I68 HydrophobicContact CB-CG1 4.48Å; V66-I68 HydrophobicContact CG1-CD1 4.27Å; V66-I68 HydrophobicContact CG1-CG1 3.74Å; I68-L81 HydrophobicContact CG2-CD2 4.24Å; I68-M83 HydrophobicContact CD1-CE 4.13Å; I68-L140 WeakPolarHBondContact O-CA 3.39Å; I68-L140 WeakPolarHBondContact O-CD1 3.45Å; I68-F141 HydrophobicContact CB-CD2 4.06Å; I68-F141 HydrophobicContact CB-CE1 4.42Å; I68-F141 HydrophobicContact CB-CE2 3.6Å; I68-F141 HydrophobicContact CB-CZ 3.79Å; I68-F141 HydrophobicContact CD1-CE2 3.85Å; I68-F141 HydrophobicContact CG1-CE2 4.26Å; I68-F141 HydrophobicContact CG2-CE1 4.11Å; I68-F141 HydrophobicContact CG2-CE2 3.79Å; I68-F141 HydrophobicContact CG2-CZ 3.47Å; I68-F141 VanDerWaalsContact CG2-CZ 3.47Å; I68-F141 PolarHBondContact N-O 2.82Å; I68-F141 PolarHBondContact O-N 3Å; I68-M191 HydrophobicContact CD1-CE 4.42Å
69	Q	97.2	Very high	94.3	Very high	39 Å²	39	46.5 Å²	46.5	18%	0.182	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.7	171.8	-166.6	-170.7	-79.6	0	0	110	M41 A56 Y138 L139 L140	M41-Q69 HydrophobicContact CE-CB 4.03Å; M41-Q69 HydrophobicContact CG-CB 4.29Å; M41-Q69 HydrophobicContact SD-CB 4.23Å; A56-Q69 HydrophobicContact CB-CB 4.43Å; A56-Q69 PolarHBondContact N-O 2.94Å; A56-Q69 PolarHBondContact O-N 3.07Å; Q69-Y138 HydrophobicContact CG-CD1 4.25Å; Q69-L139 CarbonylContact C-O 3.54Å; Q69-L139 WeakPolarHBondContact CA-O 3.31Å; Q69-L139 WeakPolarHBondContact CG-O 3.21Å; Q69-L140 HydrophobicContact CB-CD1 4.22Å
70	L	97.4	Very high	94.4	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	123.9	174.4	-172.7	65.1	0	0	0	109.5	L47 L53 L55 V72 V79 Y138 L139	L47-L70 HydrophobicContact CD1-CD1 3.71Å; L53-L70 HydrophobicContact CD2-CD1 4.37Å; L55-L70 HydrophobicContact CD1-CD1 4.46Å; L70-V72 HydrophobicContact CD2-CG2 4.34Å; L70-V72 HydrophobicContact CG-CG2 4.24Å; L70-V79 HydrophobicContact CD2-CG1 4.07Å; L70-V79 HydrophobicContact CD2-CG2 3.66Å; L70-Y138 WeakPolarHBondContact O-CA 3.44Å; L70-L139 HydrophobicContact CB-CB 4.34Å; L70-L139 HydrophobicContact CD2-CD1 4.47Å; L70-L139 PolarHBondContact N-O 3.46Å; L70-L139 PolarHBondContact O-N 3.17Å
71	R	96.5	Very high	94.7	Very high	59 Å²	59	45 Å²	45	22%	0.223	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.6	169.2	176.2	-170	171.6	-124.8	-7.4	108.9	L53 Q54 D135 F137 Y138	L53-R71 WeakPolarHBondContact CA-O 3.45Å; Q54-R71 HydrophobicContact CB-CB 4.31Å; Q54-R71 PolarHBondContact N-O 3.11Å; Q54-R71 PolarHBondContact O-N 2.91Å; R71-D135 PolarHBondContact NE-O 2.74Å; R71-D135 IonicContact NE-OD2 3.74Å; R71-D135 PolarHBondContact NE-OD2 3.25Å; R71-D135 PolarHBondContact NH2-O 2.87Å; R71-F137 CarbonylContact C-O 3.14Å; R71-F137 WeakPolarHBondContact CA-O 3.47Å; R71-Y138 HydrophobicContact CB-CD1 4.17Å; R71-Y138 HydrophobicContact CB-CE1 3.88Å; R71-Y138 WeakPolarHBondContact CD-OH 3.49Å; R71-Y138 HydrophobicContact CG-CE1 3.98Å; R71-Y138 HydrophobicContact CG-CE2 4.02Å
72	V	96.7	Very high	95	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.7	174.1	-169.3	0	0	0	0	108.4	N52 L53 L70 L75 V79 G136 F137 L166	N52-V72 CarbonylContact O-C 3.52Å; N52-V72 WeakPolarHBondContact O-CA 3.38Å; L53-V72 HydrophobicContact CD2-CB 4.12Å; L53-V72 HydrophobicContact CD2-CG1 3.93Å; L53-V72 HydrophobicContact CD2-CG2 3.69Å; L70-V72 HydrophobicContact CD2-CG2 4.34Å; L70-V72 HydrophobicContact CG-CG2 4.24Å; V72-L75 HydrophobicContact CG1-CB 4.29Å; V72-L75 HydrophobicContact CG1-CD1 4.25Å; V72-V79 HydrophobicContact CG2-CB 4.49Å; V72-V79 HydrophobicContact CG2-CG1 4.35Å; V72-V79 HydrophobicContact CG2-CG2 4.43Å; V72-G136 CarbonylContact O-C 3.4Å; V72-G136 VanDerWaalsContact O-CA 3.28Å; V72-G136 WeakPolarHBondContact O-CA 3.11Å; V72-F137 PolarHBondContact N-O 2.62Å; V72-F137 PolarHBondContact O-N 2.78Å; V72-L166 HydrophobicContact CG1-CD2 3.77Å
73	A	94.7	Very high	95.3	Very high	28 Å²	28	37 Å²	37	23%	0.231	17%	0.174	C	C	.	.	S	Bend	trans	-59.8	-49.8	-177.5	0	0	0	0	0	111.6	N52	N52-A73 HydrophobicContact CB-CB 4.38Å; N52-A73 PolarHBondContact O-N 2.84Å
74	E	92.4	Very high	95.5	Very high	144 Å²	144	33.4 Å²	33.4	67%	0.673	15%	0.152	S	C	*	.	S	Bend	trans	-133.5	107.8	175	-67.2	-173.8	177.4	0	0	109.8
75	L	92.1	Very high	95.6	Very high	51 Å²	51	33.7 Å²	33.7	27%	0.267	16%	0.156	S	C	.	.			trans	-88.4	120.8	174.7	-173.5	72.2	0	0	0	109.6	V72 V79 L97 F137	V72-L75 HydrophobicContact CG1-CB 4.29Å; V72-L75 HydrophobicContact CG1-CD1 4.25Å; L75-V79 HydrophobicContact CD1-CB 4.25Å; L75-V79 HydrophobicContact CD1-CG1 4.26Å; L75-L97 HydrophobicContact CD1-CD2 4.4Å; L75-L97 HydrophobicContact CD2-CD2 3.58Å; L75-F137 HydrophobicContact CB-CB 3.99Å; L75-F137 HydrophobicContact CB-CG 4.27Å; L75-F137 HydrophobicContact CD2-CB 4.44Å; L75-F137 HydrophobicContact CD2-CD1 3.58Å; L75-F137 HydrophobicContact CD2-CD2 4.2Å; L75-F137 HydrophobicContact CD2-CE1 3.69Å; L75-F137 HydrophobicContact CD2-CE2 4.32Å; L75-F137 HydrophobicContact CD2-CG 3.82Å; L75-F137 HydrophobicContact CD2-CZ 4.07Å
76	R	92.2	Very high	95.5	Very high	161 Å²	161	35.2 Å²	35.2	61%	0.608	16%	0.16	S	C	*	.	S	Bend	trans	-93	-78.2	176.9	-66.4	-177.4	175.7	-164.9	-3.2	111.8	D168	R76-D168 IonicContact NH1-OD1 3.65Å
77	H	94.6	Very high	95.4	Very high	53 Å²	53	35.5 Å²	35.5	25%	0.245	16%	0.164	C	C	.	.	S	Bend	trans	-116.9	-13.4	-179.4	-70.4	-72.1	0	0	0	114.4	W98 D99 L167 D168 Q169	H77-W98 CarbonylContact O-C 3.48Å; H77-W98 WeakPolarHBondContact O-CA 3.47Å; H77-D99 VanDerWaalsContact CA-OD2 3.28Å; H77-D99 WeakPolarHBondContact CA-OD2 3.48Å; H77-D99 IonicContact CG-OD1 4Å; H77-D99 IonicContact CG-OD2 3.86Å; H77-D99 IonicContact ND1-OD1 3.08Å; H77-D99 PolarHBondContact ND1-OD1 3.4Å; H77-D99 VanDerWaalsContact ND1-OD1 3.08Å; H77-D99 IonicContact ND1-OD2 3.19Å; H77-D99 PolarHBondContact ND1-OD2 3.37Å; H77-D99 PolarHBondContact O-N 2.75Å; H77-L167 HydrophobicContact CB-CB 4.27Å; H77-L167 WeakPolarHBondContact CB-O 3.43Å; H77-L167 PolarHBondContact N-O 2.97Å; H77-L167 VanDerWaalsContact N-O 3.16Å; H77-D168 VanDerWaalsContact CD2-C 3.46Å; H77-D168 PolarHBondContact CD2-O 3.46Å; H77-D168 VanDerWaalsContact CD2-O 3.27Å; H77-Q169 WeakPolarHBondContact CB-O 3.25Å
78	G	94.6	Very high	95.3	Very high	1 Å²	1	36 Å²	36	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.8	178	-178.7	0	0	0	0	0	113.9	L97 L167	G78-L97 CarbonylContact C-O 3.46Å; G78-L97 WeakPolarHBondContact CA-O 3.36Å; G78-L167 PolarHBondContact O-N 2.85Å
79	V	96.6	Very high	95.3	Very high	3 Å²	3	38 Å²	38	2%	0.018	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	139.9	179.5	59.4	0	0	0	0	109.1	L53 L70 V72 L75 L97 L139 G165 L166	L53-V79 HydrophobicContact CD2-CG2 4.26Å; L70-V79 HydrophobicContact CD2-CG1 4.07Å; L70-V79 HydrophobicContact CD2-CG2 3.66Å; V72-V79 HydrophobicContact CG2-CB 4.49Å; V72-V79 HydrophobicContact CG2-CG1 4.35Å; V72-V79 HydrophobicContact CG2-CG2 4.43Å; L75-V79 HydrophobicContact CD1-CB 4.25Å; L75-V79 HydrophobicContact CD1-CG1 4.26Å; V79-L97 HydrophobicContact CG1-CB 3.98Å; V79-L97 HydrophobicContact CG1-CD2 4.36Å; V79-L97 PolarHBondContact N-O 3.07Å; V79-L97 PolarHBondContact O-N 3.35Å; V79-L139 HydrophobicContact CG1-CD1 3.75Å; V79-G165 WeakPolarHBondContact CA-O 3.28Å; V79-G165 WeakPolarHBondContact CG2-O 3.4Å; V79-L166 HydrophobicContact CB-CD2 4.08Å; V79-L166 HydrophobicContact CG2-CD2 4Å
80	V	97.3	Very high	95.2	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131	172.8	-177.9	0	0	0	0	106.9	L94 V96 Y164 G165 L167 L177 L179 I182 M184	V80-L94 HydrophobicContact CG1-CD2 4.16Å; V80-V96 HydrophobicContact CG1-CG2 4.35Å; V80-V96 HydrophobicContact CG2-CG1 4.06Å; V80-V96 HydrophobicContact CG2-CG2 4.45Å; V80-Y164 CarbonylContact O-C 3.49Å; V80-Y164 VanDerWaalsContact O-CA 3.25Å; V80-Y164 WeakPolarHBondContact O-CA 3.42Å; V80-G165 PolarHBondContact N-O 2.87Å; V80-G165 PolarHBondContact O-N 2.77Å; V80-L167 HydrophobicContact CG2-CD2 4.16Å; V80-L167 HydrophobicContact CG2-CG 4.48Å; V80-L177 HydrophobicContact CG2-CD2 3.95Å; V80-L179 HydrophobicContact CG1-CD2 4Å; V80-L179 HydrophobicContact CG2-CD2 4.36Å; V80-I182 HydrophobicContact CG2-CD1 4.29Å; V80-M184 HydrophobicContact CG1-CE 4.2Å
81	L	97.8	Very high	95.1	Very high	9 Å²	9	43 Å²	43	5%	0.047	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145.6	167.7	-171.3	78.4	0	0	0	107.6	L47 L55 I68 L94 V95 F141 V162 I163	L47-L81 HydrophobicContact CD1-CD1 3.8Å; L55-L81 HydrophobicContact CD1-CD2 3.94Å; I68-L81 HydrophobicContact CG2-CD2 4.24Å; L81-L94 CarbonylContact O-C 3.54Å; L81-L94 WeakPolarHBondContact O-CA 3.45Å; L81-V95 HydrophobicContact CB-CG1 3.89Å; L81-V95 HydrophobicContact CD2-CG1 4.46Å; L81-V95 PolarHBondContact N-O 2.7Å; L81-V95 PolarHBondContact O-N 3.23Å; L81-V95 VanDerWaalsContact O-O 3.04Å; L81-F141 HydrophobicContact CD2-CZ 3.8Å; L81-V162 HydrophobicContact CD1-CG1 3.59Å; L81-V162 HydrophobicContact CG-CG1 4.22Å; L81-I163 CarbonylContact C-O 3.59Å; L81-I163 WeakPolarHBondContact CA-O 3.34Å
82	G	96.3	Very high	95.1	Very high	2 Å²	2	40.2 Å²	40.2	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	-177.4	177.4	0	0	0	0	0	113.8	D93 V162 I163	G82-D93 CarbonylContact C-O 3.52Å; G82-D93 WeakPolarHBondContact CA-O 3.3Å; G82-V162 CarbonylContact O-C 3.58Å; G82-V162 VanDerWaalsContact O-CA 3.28Å; G82-V162 WeakPolarHBondContact O-CA 3.4Å; G82-I163 PolarHBondContact N-O 2.84Å; G82-I163 PolarHBondContact O-N 2.86Å
83	M	97.1	Very high	95.1	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.025	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	141.9	179.1	-54	-178.9	-161	0	0	110.1	I68 A92 D93 Y153 I155 V160 H161 M191	I68-M83 HydrophobicContact CD1-CE 4.13Å; M83-A92 WeakPolarHBondContact O-CA 3.44Å; M83-D93 PolarHBondContact N-O 2.93Å; M83-D93 PolarHBondContact O-N 2.99Å; M83-Y153 HydrophobicContact CB-CD1 3.73Å; M83-Y153 HydrophobicContact CB-CD2 4.26Å; M83-Y153 HydrophobicContact CB-CE1 4.34Å; M83-Y153 HydrophobicContact CB-CG 3.69Å; M83-Y153 HydrophobicContact CG-CD1 4.4Å; M83-Y153 HydrophobicContact SD-CD1 3.86Å; M83-Y153 HydrophobicContact SD-CE1 4.34Å; M83-I155 HydrophobicContact CE-CD1 3.94Å; M83-I155 HydrophobicContact CE-CG1 4.5Å; M83-I155 HydrophobicContact SD-CD1 3.91Å; M83-I155 HydrophobicContact SD-CG1 3.81Å; M83-V160 HydrophobicContact CB-CG1 4.43Å; M83-V160 HydrophobicContact CG-CG1 4.02Å; M83-V160 HydrophobicContact SD-CG1 3.69Å; M83-H161 WeakPolarHBondContact CA-O 3.32Å; M83-M191 HydrophobicContact CE-CE 3.66Å
84	S	96	Very high	95.2	Very high	1 Å²	1	39 Å²	39	1%	0.007	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	172.7	173.5	59.9	0	0	0	0	110.8	R86 G87 E88 Y153 H161	S84-R86 PolarHBondContact O-N 3.17Å; S84-G87 VanDerWaalsContact OG-C 3.25Å; S84-G87 WeakPolarHBondContact OG-CA 3.37Å; S84-G87 PolarHBondContact OG-N 2.85Å; S84-G87 VanDerWaalsContact OG-N 3.12Å; S84-E88 WeakPolarHBondContact CB-O 3.31Å; S84-E88 PolarHBondContact OG-N 2.88Å; S84-E88 PolarHBondContact OG-O 3.41Å; S84-Y153 WeakPolarHBondContact O-CE2 3.38Å; S84-H161 PolarHBondContact N-O 2.85Å
85	D	93.1	Very high	95.5	Very high	67 Å²	67	32.3 Å²	32.3	36%	0.358	16%	0.156	S	C	.	.	S	Bend	trans	-60	-50.5	-174.5	174	32.3	0	0	0	110.9	E88 H161 H433	D85-E88 WeakPolarHBondContact CB-OE1 3.12Å; D85-E88 PolarHBondContact N-OE1 3.19Å; D85-E88 VanDerWaalsContact N-OE1 3.07Å; D85-H161 PolarHBondContact O-CE1 2.88Å; D85-H161 PolarHBondContact O-ND1 2.83Å; D85-H433 PolarHBondContact O-ND1 2.84Å; D85-H433 IonicContact OD1-CE1 2.9Å; D85-H433 PolarHBondContact OD1-CE1 3.17Å; D85-H433 IonicContact OD1-CG 3.72Å; D85-H433 IonicContact OD1-ND1 2.66Å; D85-H433 PolarHBondContact OD1-ND1 2.76Å
86	R	93.6	Very high	95.7	Very high	62 Å²	62	29.9 Å²	29.9	23%	0.234	14%	0.143	C	C	.	.	S	Bend	trans	-123.8	13.5	-177.9	-47	-66	170.6	169.1	-2.8	114.6	S84 E88 R412 Q432 H433 F434	S84-R86 PolarHBondContact O-N 3.17Å; R86-E88 VanDerWaalsContact C-OE2 3.24Å; R86-E88 WeakPolarHBondContact CA-OE2 3.36Å; R86-E88 WeakPolarHBondContact CB-OE2 3.41Å; R86-E88 PolarHBondContact N-OE1 3.12Å; R86-E88 VanDerWaalsContact N-OE1 3.11Å; R86-E88 PolarHBondContact N-OE2 3.49Å; R86-R412 VanDerWaalsContact CZ-O 3.31Å; R86-R412 PolarHBondContact NH1-O 2.84Å; R86-R412 PolarHBondContact NH2-O 3.49Å; R86-R412 VanDerWaalsContact NH2-O 3.09Å; R86-Q432 PolarHBondContact NH2-O 3.13Å; R86-H433 VanDerWaalsContact NH1-C 3.28Å; R86-F434 PolarHBondContact NH1-O 2.79Å
87	G	94.4	Very high	95.9	Very high	7 Å²	7	23 Å²	23	7%	0.072	12%	0.118	C	C	.	.	S	Bend	trans	85.5	10.3	-177.7	0	0	0	0	0	113.5	S84 I163 V186	S84-G87 VanDerWaalsContact OG-C 3.25Å; S84-G87 WeakPolarHBondContact OG-CA 3.37Å; S84-G87 PolarHBondContact OG-N 2.85Å; S84-G87 VanDerWaalsContact OG-N 3.12Å; G87-I163 VanDerWaalsContact O-CG2 3.32Å; G87-I163 WeakPolarHBondContact O-CG2 3.2Å; G87-V186 WeakPolarHBondContact O-CG2 3.41Å
88	E	94.6	Very high	96	Very high	61 Å²	61	21.6 Å²	21.6	29%	0.285	11%	0.111	S	C	.	.			trans	-60.9	152.6	167.1	58.2	-76.3	167.1	0	0	111.8	S84 D85 R86 T90	S84-E88 WeakPolarHBondContact CB-O 3.31Å; S84-E88 PolarHBondContact OG-N 2.88Å; S84-E88 PolarHBondContact OG-O 3.41Å; D85-E88 WeakPolarHBondContact CB-OE1 3.12Å; D85-E88 PolarHBondContact N-OE1 3.19Å; D85-E88 VanDerWaalsContact N-OE1 3.07Å; R86-E88 VanDerWaalsContact C-OE2 3.24Å; R86-E88 WeakPolarHBondContact CA-OE2 3.36Å; R86-E88 WeakPolarHBondContact CB-OE2 3.41Å; R86-E88 PolarHBondContact N-OE1 3.12Å; R86-E88 VanDerWaalsContact N-OE1 3.11Å; R86-E88 PolarHBondContact N-OE2 3.49Å; E88-T90 VanDerWaalsContact CG-O 3.32Å; E88-T90 WeakPolarHBondContact CG-O 3.46Å; E88-T90 PolarHBondContact O-N 2.82Å
89	L	95.7	Very high	96	Very high	42 Å²	42	22.7 Å²	22.7	22%	0.22	12%	0.116	C	C	.	.	S	Bend	trans	-81.7	-1.7	177.7	-50.3	-178.3	0	0	0	112.8	S111 I163 L179 M184	L89-S111 WeakPolarHBondContact O-CB 3.25Å; L89-S111 PolarHBondContact O-OG 3.43Å; L89-I163 HydrophobicContact CD2-CD1 4.32Å; L89-L179 HydrophobicContact CB-CB 3.96Å; L89-L179 HydrophobicContact CB-CD1 4.32Å; L89-L179 HydrophobicContact CD1-CB 4.27Å; L89-L179 WeakPolarHBondContact O-CD1 3.27Å; L89-M184 HydrophobicContact CD1-CB 4Å; L89-M184 HydrophobicContact CD1-CG 3.86Å; L89-M184 HydrophobicContact CD2-CB 3.54Å; L89-M184 HydrophobicContact CD2-CE 4.05Å; L89-M184 HydrophobicContact CD2-CG 3.74Å; L89-M184 HydrophobicContact CG-CB 4.42Å; L89-M184 HydrophobicContact CG-CG 4.44Å
90	T	95.3	Very high	95.8	Very high	39 Å²	39	24.9 Å²	24.9	24%	0.239	13%	0.128	C	C	.	.	S	Bend	trans	-109	146.5	-175.6	53.7	0	0	0	0	110.5	E88 A92 D112 S113	E88-T90 VanDerWaalsContact CG-O 3.32Å; E88-T90 WeakPolarHBondContact CG-O 3.46Å; E88-T90 PolarHBondContact O-N 2.82Å; T90-A92 PolarHBondContact O-N 3.42Å; T90-D112 WeakPolarHBondContact CA-O 3.35Å; T90-D112 WeakPolarHBondContact CB-O 3.49Å; T90-S113 WeakPolarHBondContact CG2-O 3.19Å
91	N	95	Very high	95.3	Very high	109 Å²	109	27.6 Å²	27.6	58%	0.583	16%	0.156	S	C	*	.	S	Bend	trans	53	38.1	-177.7	-47	-48.2	0	0	0	111.2	S111 D112 S113	N91-S111 WeakPolarHBondContact CA-O 3.48Å; N91-S111 PolarHBondContact N-O 3.26Å; N91-S111 PolarHBondContact N-OG 2.88Å; N91-D112 PolarHBondContact N-O 2.82Å; N91-S113 PolarHBondContact OD1-N 2.82Å
92	A	96.8	Very high	94.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.189	C	C	.	.			trans	-97.9	142.7	-179.7	0	0	0	0	0	110.1	M83 T90 L94 W110 S111 I163	M83-A92 WeakPolarHBondContact O-CA 3.44Å; T90-A92 PolarHBondContact O-N 3.42Å; A92-L94 HydrophobicContact CB-CD2 3.82Å; A92-L94 HydrophobicContact CB-CG 4.32Å; A92-W110 CarbonylContact O-C 3.51Å; A92-W110 WeakPolarHBondContact O-CA 3.1Å; A92-S111 WeakPolarHBondContact CB-OG 3.46Å; A92-S111 PolarHBondContact N-OG 3.43Å; A92-S111 PolarHBondContact O-N 2.83Å; A92-I163 HydrophobicContact CB-CD1 3.58Å
93	D	97.4	Very high	94.6	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	127.5	167.5	172.6	-25.2	0	0	0	107.6	G82 M83 Y125 R143 D152 Y153	G82-D93 CarbonylContact C-O 3.52Å; G82-D93 WeakPolarHBondContact CA-O 3.3Å; M83-D93 PolarHBondContact N-O 2.93Å; M83-D93 PolarHBondContact O-N 2.99Å; D93-Y125 WeakPolarHBondContact OD1-CE2 3.43Å; D93-Y125 PolarHBondContact OD1-OH 3.37Å; D93-R143 IonicContact OD2-CZ 2.74Å; D93-R143 IonicContact OD2-NE 3.86Å; D93-R143 PolarHBondContact OD2-NE 3.43Å; D93-R143 IonicContact OD2-NH2 3.49Å; D93-R143 PolarHBondContact OD2-NH2 2.92Å; D93-D152 WeakPolarHBondContact OD2-CA 3.44Å; D93-D152 WeakPolarHBondContact OD2-CB 3.23Å; D93-Y153 PolarHBondContact OD2-N 2.96Å
94	L	97.4	Very high	94.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.4	-166.3	-53.8	172.8	0	0	0	112	V80 L81 A92 V96 A109 V117 I163 L179	V80-L94 HydrophobicContact CG1-CD2 4.16Å; L81-L94 CarbonylContact O-C 3.54Å; L81-L94 WeakPolarHBondContact O-CA 3.45Å; A92-L94 HydrophobicContact CB-CD2 3.82Å; A92-L94 HydrophobicContact CB-CG 4.32Å; L94-V96 HydrophobicContact CB-CG2 4.28Å; L94-A109 CarbonylContact C-O 3.53Å; L94-A109 WeakPolarHBondContact CA-O 3.08Å; L94-A109 HydrophobicContact CB-CB 4.2Å; L94-A109 WeakPolarHBondContact CB-O 3.37Å; L94-A109 PolarHBondContact N-O 2.82Å; L94-A109 PolarHBondContact O-N 2.88Å; L94-V117 HydrophobicContact CD1-CB 4.49Å; L94-V117 HydrophobicContact CD1-CG1 3.94Å; L94-V117 HydrophobicContact CD1-CG2 3.83Å; L94-I163 HydrophobicContact CD2-CD1 3.71Å; L94-I163 HydrophobicContact CD2-CG1 4.21Å; L94-L179 HydrophobicContact CD1-CD1 3.87Å; L94-L179 HydrophobicContact CD2-CD1 4.1Å
95	V	97.4	Very high	94.4	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.03	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.3	159.4	62.8	0	0	0	0	109.2	L81 F106 Y125 F141	L81-V95 HydrophobicContact CB-CG1 3.89Å; L81-V95 HydrophobicContact CD2-CG1 4.46Å; L81-V95 PolarHBondContact N-O 2.7Å; L81-V95 PolarHBondContact O-N 3.23Å; L81-V95 VanDerWaalsContact O-O 3.04Å; V95-F106 HydrophobicContact CG2-CD2 4.24Å; V95-F106 HydrophobicContact CG2-CE1 3.88Å; V95-F106 HydrophobicContact CG2-CE2 3.39Å; V95-F106 HydrophobicContact CG2-CZ 3.2Å; V95-Y125 HydrophobicContact CB-CD1 3.71Å; V95-Y125 HydrophobicContact CB-CD2 4.14Å; V95-Y125 HydrophobicContact CB-CE1 3.89Å; V95-Y125 HydrophobicContact CB-CE2 4.32Å; V95-Y125 HydrophobicContact CB-CG 3.83Å; V95-Y125 HydrophobicContact CG1-CD1 4Å; V95-Y125 HydrophobicContact CG1-CE1 3.91Å; V95-Y125 HydrophobicContact CG2-CD1 4.12Å; V95-Y125 HydrophobicContact CG2-CG 4.05Å; V95-F141 HydrophobicContact CG1-CE2 3.93Å; V95-F141 HydrophobicContact CG1-CZ 3.83Å
96	V	97.4	Very high	94.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.6	-175.7	-167.2	0	0	0	0	109.9	V80 L94 W98 F106 G107 A109 V117 L174 L177	V80-V96 HydrophobicContact CG1-CG2 4.35Å; V80-V96 HydrophobicContact CG2-CG1 4.06Å; V80-V96 HydrophobicContact CG2-CG2 4.45Å; L94-V96 HydrophobicContact CB-CG2 4.28Å; V96-W98 HydrophobicContact CB-CE3 3.89Å; V96-W98 HydrophobicContact CB-CZ3 4.16Å; V96-W98 HydrophobicContact CG1-CB 4.33Å; V96-W98 HydrophobicContact CG1-CD2 4.47Å; V96-W98 HydrophobicContact CG1-CE3 3.77Å; V96-W98 WeakPolarHBondContact O-CZ3 3.4Å; V96-F106 WeakPolarHBondContact O-CA 3.33Å; V96-G107 PolarHBondContact N-O 2.82Å; V96-G107 PolarHBondContact O-N 3.16Å; V96-A109 HydrophobicContact CG2-CB 4.11Å; V96-V117 HydrophobicContact CG2-CG1 4.48Å; V96-L174 HydrophobicContact CB-CD1 4.15Å; V96-L174 HydrophobicContact CG1-CD1 3.9Å; V96-L174 HydrophobicContact CG2-CD1 4.22Å; V96-L177 HydrophobicContact CG1-CD2 4.38Å
97	L	96.6	Very high	94.6	Very high	16 Å²	16	45.6 Å²	45.6	8%	0.084	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	124.8	159.8	-178.8	83.3	0	0	0	107.5	L75 G78 V79 Y105 F106 F137 L139	L75-L97 HydrophobicContact CD1-CD2 4.4Å; L75-L97 HydrophobicContact CD2-CD2 3.58Å; G78-L97 CarbonylContact C-O 3.46Å; G78-L97 WeakPolarHBondContact CA-O 3.36Å; V79-L97 HydrophobicContact CG1-CB 3.98Å; V79-L97 HydrophobicContact CG1-CD2 4.36Å; V79-L97 PolarHBondContact N-O 3.07Å; V79-L97 PolarHBondContact O-N 3.35Å; L97-Y105 WeakPolarHBondContact CA-O 3.43Å; L97-Y105 WeakPolarHBondContact CD1-O 2.95Å; L97-F106 HydrophobicContact CD1-CB 4.17Å; L97-F106 HydrophobicContact CD1-CD2 4.42Å; L97-F137 HydrophobicContact CD2-CE1 3.67Å; L97-F137 HydrophobicContact CD2-CZ 4.19Å; L97-L139 HydrophobicContact CB-CD1 4.2Å; L97-L139 HydrophobicContact CD1-CD2 4.38Å; L97-L139 HydrophobicContact CD2-CD1 4.04Å; L97-L139 HydrophobicContact CD2-CD2 4.2Å
98	W	95.7	Very high	94.6	Very high	23 Å²	23	45.2 Å²	45.2	9%	0.087	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	158.9	176.8	72.6	99.6	0	0	0	111.4	H77 V96 S104 Y105 L119 L167 L171 L174	H77-W98 CarbonylContact O-C 3.48Å; H77-W98 WeakPolarHBondContact O-CA 3.47Å; V96-W98 HydrophobicContact CB-CE3 3.89Å; V96-W98 HydrophobicContact CB-CZ3 4.16Å; V96-W98 HydrophobicContact CG1-CB 4.33Å; V96-W98 HydrophobicContact CG1-CD2 4.47Å; V96-W98 HydrophobicContact CG1-CE3 3.77Å; V96-W98 WeakPolarHBondContact O-CZ3 3.4Å; W98-S104 CarbonylContact O-C 3.55Å; W98-S104 WeakPolarHBondContact O-CA 3.42Å; W98-Y105 VanDerWaalsContact CE2-CB 3.49Å; W98-Y105 VanDerWaalsContact CZ2-CB 3.47Å; W98-Y105 HydrophobicContact CZ2-CG 4.03Å; W98-Y105 PolarHBondContact N-O 2.81Å; W98-Y105 AromaticContact NE1-CD2 3.71Å; W98-Y105 PolarHBondContact O-N 2.92Å; W98-L119 HydrophobicContact CH2-CD1 3.92Å; W98-L167 HydrophobicContact CB-CD1 3.82Å; W98-L171 HydrophobicContact CB-CD1 4.16Å; W98-L171 HydrophobicContact CG-CD1 4.49Å; W98-L174 HydrophobicContact CD2-CD1 4.22Å; W98-L174 HydrophobicContact CE3-CD1 4.17Å; W98-L174 HydrophobicContact CH2-CB 4.5Å; W98-L174 HydrophobicContact CH2-CD2 4.11Å; W98-L174 HydrophobicContact CZ2-CB 4.13Å; W98-L174 HydrophobicContact CZ3-CD1 4.4Å; W98-L174 HydrophobicContact CZ3-CD2 4.24Å
99	D	93.9	Very high	94.7	Very high	24 Å²	24	42.3 Å²	42.3	13%	0.128	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	159.3	167.5	76.4	53.5	0	0	0	112.6	H77 G101 R103 P170 L171	H77-D99 VanDerWaalsContact CA-OD2 3.28Å; H77-D99 WeakPolarHBondContact CA-OD2 3.48Å; H77-D99 IonicContact CG-OD1 4Å; H77-D99 IonicContact CG-OD2 3.86Å; H77-D99 IonicContact ND1-OD1 3.08Å; H77-D99 PolarHBondContact ND1-OD1 3.4Å; H77-D99 VanDerWaalsContact ND1-OD1 3.08Å; H77-D99 IonicContact ND1-OD2 3.19Å; H77-D99 PolarHBondContact ND1-OD2 3.37Å; H77-D99 PolarHBondContact O-N 2.75Å; D99-G101 WeakPolarHBondContact OD1-CA 3.41Å; D99-G101 PolarHBondContact OD1-N 3.36Å; D99-R103 WeakPolarHBondContact CA-O 3.29Å; D99-R103 WeakPolarHBondContact CB-O 3.07Å; D99-P170 WeakPolarHBondContact OD1-CB 3.48Å; D99-L171 PolarHBondContact O-N 2.88Å
100	N	92.1	Very high	94.7	Very high	50 Å²	50	42.6 Å²	42.6	27%	0.267	23%	0.228	S	C	.	.			trans	-103.6	20.7	170.7	70	6.7	0	0	0	112.6	T102 R103 Y105 L171	N100-T102 VanDerWaalsContact C-N 3.27Å; N100-T102 PolarHBondContact O-N 2.8Å; N100-T102 PolarHBondContact OD1-N 2.73Å; N100-T102 PolarHBondContact OD1-OG1 2.85Å; N100-R103 PolarHBondContact N-O 2.97Å; N100-R103 VanDerWaalsContact N-O 3.08Å; N100-R103 PolarHBondContact OD1-N 2.97Å; N100-R103 PolarHBondContact OD1-O 3.39Å; N100-Y105 HydrophobicContact CB-CE2 4.22Å; N100-Y105 PolarHBondContact ND2-OH 3.02Å; N100-Y105 VanDerWaalsContact ND2-OH 3.08Å; N100-L171 VanDerWaalsContact CA-O 3.29Å; N100-L171 WeakPolarHBondContact CA-O 3.28Å; N100-L171 WeakPolarHBondContact CB-O 3.43Å
101	G	87.4	Confident	94.8	Very high	56 Å²	56	40.7 Å²	40.7	58%	0.577	22%	0.216	S	C	*	.	S	Bend	trans	81.1	-11.5	-171.2	0	0	0	0	0	115.5	D99	D99-G101 WeakPolarHBondContact OD1-CA 3.41Å; D99-G101 PolarHBondContact OD1-N 3.36Å
102	T	88.8	Confident	94.8	Very high	121 Å²	121	37.3 Å²	37.3	74%	0.742	20%	0.198	S	C	*	.	S	Bend	trans	-127.6	-33.1	178.4	65.9	0	0	0	0	114.1	N100	N100-T102 VanDerWaalsContact C-N 3.27Å; N100-T102 PolarHBondContact O-N 2.8Å; N100-T102 PolarHBondContact OD1-N 2.73Å; N100-T102 PolarHBondContact OD1-OG1 2.85Å
103	R	91.8	Very high	94.6	Very high	177 Å²	177	41.3 Å²	41.3	67%	0.668	23%	0.226	S	C	*	.			trans	-135.9	145.7	-179.6	-66.5	-175.5	-179.2	-174.3	0.3	109.4	D99 N100 Y105	D99-R103 WeakPolarHBondContact CA-O 3.29Å; D99-R103 WeakPolarHBondContact CB-O 3.07Å; N100-R103 PolarHBondContact N-O 2.97Å; N100-R103 VanDerWaalsContact N-O 3.08Å; N100-R103 PolarHBondContact OD1-N 2.97Å; N100-R103 PolarHBondContact OD1-O 3.39Å; R103-Y105 HydrophobicContact CB-CE2 3.93Å; R103-Y105 VanDerWaalsContact O-CE2 3.32Å; R103-Y105 WeakPolarHBondContact O-CE2 3.49Å
104	S	93.1	Very high	94.5	Very high	89 Å²	89	47.6 Å²	47.6	62%	0.622	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	147.2	171.9	-51.3	0	0	0	0	110.2	W98	W98-S104 CarbonylContact O-C 3.55Å; W98-S104 WeakPolarHBondContact O-CA 3.42Å
105	Y	94.9	Very high	94.3	Very high	89 Å²	89	47.6 Å²	47.6	35%	0.349	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	145.2	-178.3	-57	-89.8	0	0	0	108.4	L97 W98 N100 R103	L97-Y105 WeakPolarHBondContact CA-O 3.43Å; L97-Y105 WeakPolarHBondContact CD1-O 2.95Å; W98-Y105 VanDerWaalsContact CE2-CB 3.49Å; W98-Y105 VanDerWaalsContact CZ2-CB 3.47Å; W98-Y105 HydrophobicContact CZ2-CG 4.03Å; W98-Y105 PolarHBondContact N-O 2.81Å; W98-Y105 AromaticContact NE1-CD2 3.71Å; W98-Y105 PolarHBondContact O-N 2.92Å; N100-Y105 HydrophobicContact CB-CE2 4.22Å; N100-Y105 PolarHBondContact ND2-OH 3.02Å; N100-Y105 VanDerWaalsContact ND2-OH 3.08Å; R103-Y105 HydrophobicContact CB-CE2 3.93Å; R103-Y105 VanDerWaalsContact O-CE2 3.32Å; R103-Y105 WeakPolarHBondContact O-CE2 3.49Å
106	F	95.6	Very high	94.3	Very high	47 Å²	47	54 Å²	54	21%	0.206	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.3	171.7	176.9	-84.3	0	0	0	106.8	V95 V96 L97 L127 F141	V95-F106 HydrophobicContact CG2-CD2 4.24Å; V95-F106 HydrophobicContact CG2-CE1 3.88Å; V95-F106 HydrophobicContact CG2-CE2 3.39Å; V95-F106 HydrophobicContact CG2-CZ 3.2Å; V96-F106 WeakPolarHBondContact O-CA 3.33Å; L97-F106 HydrophobicContact CD1-CB 4.17Å; L97-F106 HydrophobicContact CD1-CD2 4.42Å; F106-L127 HydrophobicContact CB-CD2 4.09Å; F106-L127 HydrophobicContact CD1-CB 3.7Å; F106-L127 HydrophobicContact CD1-CD2 4.38Å; F106-L127 HydrophobicContact CD1-CG 4.45Å; F106-L127 HydrophobicContact CD2-CD1 3.99Å; F106-L127 HydrophobicContact CD2-CD2 4.43Å; F106-L127 HydrophobicContact CE1-CB 3.67Å; F106-L127 HydrophobicContact CE2-CD1 3.89Å; F106-L127 HydrophobicContact CG-CB 4.16Å; F106-L127 HydrophobicContact CG-CD1 4.32Å; F106-L127 HydrophobicContact CG-CD2 4.06Å; F106-L127 HydrophobicContact CG-CG 4.41Å; F106-L127 HydrophobicContact CZ-CB 4.07Å; F106-L127 HydrophobicContact CZ-CD1 4.15Å; F106-F141 HydrophobicContact CE2-CD1 4.15Å; F106-F141 HydrophobicContact CE2-CG 4.4Å; F106-F141 HydrophobicContact CZ-CB 3.86Å; F106-F141 HydrophobicContact CZ-CD1 4.21Å; F106-F141 AromaticContact CZ-CG 3.99Å; F106-F141 HydrophobicContact CZ-CG 3.99Å
107	G	94.5	Very high	94.2	Very high	1 Å²	1	54 Å²	54	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	151.6	-179	0	0	0	0	0	113.1	V96	V96-G107 PolarHBondContact N-O 2.82Å; V96-G107 PolarHBondContact O-N 3.16Å
108	D	95.5	Very high	94.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	138.5	167.1	-167	-2	0	0	0	110.3	L119 D120 Q123 D124 Y125	D108-L119 WeakPolarHBondContact O-CD1 2.92Å; D108-D120 HydrophobicContact CB-CB 4.33Å; D108-D120 PolarHBondContact O-N 3Å; D108-Q123 HydrophobicContact CB-CB 4.41Å; D108-Q123 PolarHBondContact O-NE2 2.89Å; D108-D124 WeakPolarHBondContact OD2-CB 3.32Å; D108-D124 PolarHBondContact OD2-N 3.2Å; D108-Y125 HydrophobicContact CB-CD2 4.04Å; D108-Y125 VanDerWaalsContact CG-CD2 3.43Å; D108-Y125 WeakPolarHBondContact OD1-CD2 3.3Å; D108-Y125 WeakPolarHBondContact OD1-CE2 3.42Å
109	A	96.1	Very high	94.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	166.3	-170.7	0	0	0	0	0	111.1	L94 V96 V117 S118 L174	L94-A109 CarbonylContact C-O 3.53Å; L94-A109 WeakPolarHBondContact CA-O 3.08Å; L94-A109 HydrophobicContact CB-CB 4.2Å; L94-A109 WeakPolarHBondContact CB-O 3.37Å; L94-A109 PolarHBondContact N-O 2.82Å; L94-A109 PolarHBondContact O-N 2.88Å; V96-A109 HydrophobicContact CG2-CB 4.11Å; A109-V117 HydrophobicContact CB-CG1 3.76Å; A109-S118 CarbonylContact C-O 3.49Å; A109-S118 VanDerWaalsContact CA-O 3.23Å; A109-S118 WeakPolarHBondContact CA-O 3.18Å; A109-S118 VanDerWaalsContact CB-O 3.3Å; A109-S118 WeakPolarHBondContact CB-O 3.3Å; A109-L174 HydrophobicContact CB-CD2 3.8Å
110	W	96.4	Very high	94	Very high	47 Å²	47	57.8 Å²	57.8	18%	0.178	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	155.6	174.2	61.3	-82.2	0	0	0	110.2	A92 D112 V117 S118 D120 R151	A92-W110 CarbonylContact O-C 3.51Å; A92-W110 WeakPolarHBondContact O-CA 3.1Å; W110-D112 HydrophobicContact CH2-CB 4.38Å; W110-D112 HydrophobicContact CZ3-CB 3.8Å; W110-V117 WeakPolarHBondContact O-CA 3.18Å; W110-S118 PolarHBondContact N-O 2.92Å; W110-S118 PolarHBondContact O-N 3.11Å; W110-D120 VanDerWaalsContact CD1-OD2 3.25Å; W110-R151 VanDerWaalsContact NE1-NH1 3.12Å
111	S	96.8	Very high	93.9	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	140.4	172.4	69.8	0	0	0	0	112.5	L89 N91 A92 R116	L89-S111 WeakPolarHBondContact O-CB 3.25Å; L89-S111 PolarHBondContact O-OG 3.43Å; N91-S111 WeakPolarHBondContact CA-O 3.48Å; N91-S111 PolarHBondContact N-O 3.26Å; N91-S111 PolarHBondContact N-OG 2.88Å; A92-S111 WeakPolarHBondContact CB-OG 3.46Å; A92-S111 PolarHBondContact N-OG 3.43Å; A92-S111 PolarHBondContact O-N 2.83Å; S111-R116 WeakPolarHBondContact CA-O 3.49Å
112	D	94.9	Very high	94	Very high	37 Å²	37	62 Å²	62	20%	0.198	32%	0.318	C	S	.	.			trans	-78.8	-177.7	173.7	74	4.6	0	0	0	112.9	T90 N91 W110 K114 G115 R116	T90-D112 WeakPolarHBondContact CA-O 3.35Å; T90-D112 WeakPolarHBondContact CB-O 3.49Å; N91-D112 PolarHBondContact N-O 2.82Å; W110-D112 HydrophobicContact CH2-CB 4.38Å; W110-D112 HydrophobicContact CZ3-CB 3.8Å; D112-K114 PolarHBondContact O-N 2.01Å; D112-K114 VanDerWaalsContact OD1-C 3.25Å; D112-K114 VanDerWaalsContact OD1-CA 3.26Å; D112-K114 WeakPolarHBondContact OD1-CA 3.34Å; D112-K114 WeakPolarHBondContact OD1-CB 3.49Å; D112-K114 PolarHBondContact OD1-N 2.55Å; D112-G115 PolarHBondContact O-N 3.04Å; D112-G115 PolarHBondContact OD1-N 2.95Å; D112-R116 PolarHBondContact N-O 2.94Å; D112-R116 PolarHBondContact OD1-N 2.8Å
113	S	93.8	Very high	94.1	Very high	84 Å²	84	60.6 Å²	60.6	59%	0.587	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-5.1	175.9	59.9	0	0	0	0	114.9	T90 N91	T90-S113 WeakPolarHBondContact CG2-O 3.19Å; N91-S113 PolarHBondContact OD1-N 2.82Å
114	K	93.4	Very high	94.1	Very high	133 Å²	133	53 Å²	53	58%	0.578	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	8.9	175.6	-61.1	176.9	-177.9	173.2	0	112.1	D112 R116 N178	D112-K114 PolarHBondContact O-N 2.01Å; D112-K114 VanDerWaalsContact OD1-C 3.25Å; D112-K114 VanDerWaalsContact OD1-CA 3.26Å; D112-K114 WeakPolarHBondContact OD1-CA 3.34Å; D112-K114 WeakPolarHBondContact OD1-CB 3.49Å; D112-K114 PolarHBondContact OD1-N 2.55Å; K114-R116 VanDerWaalsContact C-N 3.25Å; K114-R116 PolarHBondContact O-N 2.94Å; K114-N178 PolarHBondContact O-ND2 2.92Å
115	G	94.6	Very high	94.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.248	C	C	.	.			trans	70.1	17.3	-179.5	0	0	0	0	0	113.8	D112 N178 L179	D112-G115 PolarHBondContact O-N 3.04Å; D112-G115 PolarHBondContact OD1-N 2.95Å; G115-N178 CarbonylContact O-C 3.54Å; G115-N178 WeakPolarHBondContact O-CA 3.16Å; G115-L179 PolarHBondContact O-N 2.99Å
116	R	96.3	Very high	94.1	Very high	139 Å²	139	50.1 Å²	50.1	53%	0.525	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-80.3	131.7	173.7	-65.1	176.9	173.3	171.2	-5.1	109.2	S111 D112 K114 N178	S111-R116 WeakPolarHBondContact CA-O 3.49Å; D112-R116 PolarHBondContact N-O 2.94Å; D112-R116 PolarHBondContact OD1-N 2.8Å; K114-R116 VanDerWaalsContact C-N 3.25Å; K114-R116 PolarHBondContact O-N 2.94Å; R116-N178 WeakPolarHBondContact CG-ND2 3.4Å
117	V	96.9	Very high	94.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	134.5	-176	-175.8	0	0	0	0	110	L94 V96 A109 W110 L174 L177 L179	L94-V117 HydrophobicContact CD1-CB 4.49Å; L94-V117 HydrophobicContact CD1-CG1 3.94Å; L94-V117 HydrophobicContact CD1-CG2 3.83Å; V96-V117 HydrophobicContact CG2-CG1 4.48Å; A109-V117 HydrophobicContact CB-CG1 3.76Å; W110-V117 WeakPolarHBondContact O-CA 3.18Å; V117-L174 HydrophobicContact CG1-CD1 3.96Å; V117-L174 HydrophobicContact CG1-CD2 3.99Å; V117-L174 HydrophobicContact CG1-CG 3.82Å; V117-L177 HydrophobicContact CB-CB 4.14Å; V117-L177 HydrophobicContact CB-CD2 4.17Å; V117-L177 HydrophobicContact CB-CG 4.21Å; V117-L177 HydrophobicContact CG1-CD2 4.4Å; V117-L177 HydrophobicContact CG2-CB 4.23Å; V117-L177 HydrophobicContact CG2-CD2 3.81Å; V117-L177 HydrophobicContact CG2-CG 3.78Å; V117-L177 PolarHBondContact N-O 3.15Å; V117-L179 HydrophobicContact CG2-CD1 4.33Å; V117-L179 HydrophobicContact CG2-CD2 3.73Å; V117-L179 HydrophobicContact CG2-CG 3.73Å
118	S	95.6	Very high	94.2	Very high	47 Å²	47	54.9 Å²	54.9	33%	0.329	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143	171.9	-64.2	0	0	0	0	109.1	A109 W110	A109-S118 CarbonylContact C-O 3.49Å; A109-S118 VanDerWaalsContact CA-O 3.23Å; A109-S118 WeakPolarHBondContact CA-O 3.18Å; A109-S118 VanDerWaalsContact CB-O 3.3Å; A109-S118 WeakPolarHBondContact CB-O 3.3Å; W110-S118 PolarHBondContact N-O 2.92Å; W110-S118 PolarHBondContact O-N 3.11Å
119	L	94.4	Very high	94.2	Very high	91 Å²	91	58.5 Å²	58.5	48%	0.476	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	141.5	172.6	-161.7	84.5	0	0	0	109.1	W98 D108 L174	W98-L119 HydrophobicContact CH2-CD1 3.92Å; D108-L119 WeakPolarHBondContact O-CD1 2.92Å; L119-L174 HydrophobicContact CB-CD2 4.22Å; L119-L174 HydrophobicContact CD1-CD2 3.82Å
120	D	91.4	Very high	94.1	Very high	6 Å²	6	61 Å²	61	3%	0.032	32%	0.319	C	S	.	.			trans	-74.6	146.7	173.9	-149.6	-53.7	0	0	0	111.3	D108 W110 Q122 Q123	D108-D120 HydrophobicContact CB-CB 4.33Å; D108-D120 PolarHBondContact O-N 3Å; W110-D120 VanDerWaalsContact CD1-OD2 3.25Å; D120-Q122 CarbonylContact C-O 3.47Å; D120-Q122 VanDerWaalsContact CB-O 3.26Å; D120-Q122 WeakPolarHBondContact CB-O 3.33Å; D120-Q122 PolarHBondContact OD1-N 3.28Å; D120-Q123 PolarHBondContact O-NE2 2.92Å; D120-Q123 VanDerWaalsContact O-NE2 3.07Å
121	S	88.6	Confident	94	Very high	115 Å²	115	62 Å²	62	80%	0.804	33%	0.325	S	S	*	.	S	Bend	trans	-72.2	-32.1	172.4	58.3	0	0	0	0	112.7
122	Q	89.6	Confident	93.9	Very high	78 Å²	78	68 Å²	68	36%	0.364	35%	0.353	S	S	.	.	S	Bend	trans	-95	161.1	166.3	-164.1	169	-46.5	0	0	108.4	D120 D124	D120-Q122 CarbonylContact C-O 3.47Å; D120-Q122 VanDerWaalsContact CB-O 3.26Å; D120-Q122 WeakPolarHBondContact CB-O 3.33Å; D120-Q122 PolarHBondContact OD1-N 3.28Å; Q122-D124 WeakPolarHBondContact CB-OD2 3.37Å; Q122-D124 WeakPolarHBondContact CG-OD2 3.43Å; Q122-D124 PolarHBondContact NE2-OD1 3.23Å; Q122-D124 PolarHBondContact NE2-OD2 2.9Å
123	Q	91.5	Very high	93.8	Very high	92 Å²	92	70.1 Å²	70.1	43%	0.43	36%	0.36	S	S	.	.			trans	-129.9	96.5	175.6	-65.4	-70.8	-69.6	0	0	107	D108 D120	D108-Q123 HydrophobicContact CB-CB 4.41Å; D108-Q123 PolarHBondContact O-NE2 2.89Å; D120-Q123 PolarHBondContact O-NE2 2.92Å; D120-Q123 VanDerWaalsContact O-NE2 3.07Å
124	D	91.3	Very high	93.7	Very high	19 Å²	19	71.7 Å²	71.7	10%	0.102	38%	0.379	C	S	.	.			trans	-95.7	-18.7	-172.8	-67.2	-77	0	0	0	112.6	D108 Q122 P144 T147	D108-D124 WeakPolarHBondContact OD2-CB 3.32Å; D108-D124 PolarHBondContact OD2-N 3.2Å; Q122-D124 WeakPolarHBondContact CB-OD2 3.37Å; Q122-D124 WeakPolarHBondContact CG-OD2 3.43Å; Q122-D124 PolarHBondContact NE2-OD1 3.23Å; Q122-D124 PolarHBondContact NE2-OD2 2.9Å; D124-P144 WeakPolarHBondContact O-CD 3.27Å; D124-T147 HydrophobicContact CB-CG2 3.57Å; D124-T147 WeakPolarHBondContact OD1-CB 3.35Å; D124-T147 WeakPolarHBondContact OD1-CG2 3.48Å
125	Y	94.3	Very high	93.6	Very high	9 Å²	9	68.9 Å²	68.9	4%	0.035	37%	0.37	C	S	.	.			trans	-86.4	117.5	165.4	-63.1	-100.5	0	0	0	111.3	D93 V95 D108 F141 K142 R143	D93-Y125 WeakPolarHBondContact OD1-CE2 3.43Å; D93-Y125 PolarHBondContact OD1-OH 3.37Å; V95-Y125 HydrophobicContact CB-CD1 3.71Å; V95-Y125 HydrophobicContact CB-CD2 4.14Å; V95-Y125 HydrophobicContact CB-CE1 3.89Å; V95-Y125 HydrophobicContact CB-CE2 4.32Å; V95-Y125 HydrophobicContact CB-CG 3.83Å; V95-Y125 HydrophobicContact CG1-CD1 4Å; V95-Y125 HydrophobicContact CG1-CE1 3.91Å; V95-Y125 HydrophobicContact CG2-CD1 4.12Å; V95-Y125 HydrophobicContact CG2-CG 4.05Å; D108-Y125 HydrophobicContact CB-CD2 4.04Å; D108-Y125 VanDerWaalsContact CG-CD2 3.43Å; D108-Y125 WeakPolarHBondContact OD1-CD2 3.3Å; D108-Y125 WeakPolarHBondContact OD1-CE2 3.42Å; Y125-F141 AromaticContact CD1-CD2 3.78Å; Y125-F141 HydrophobicContact CD1-CD2 3.78Å; Y125-F141 AromaticContact CD1-CE2 3.76Å; Y125-F141 HydrophobicContact CD1-CE2 3.76Å; Y125-F141 HydrophobicContact CE1-CE2 4.14Å; Y125-K142 WeakPolarHBondContact CA-O 3.37Å; Y125-R143 HydrophobicContact CD1-CB 4.02Å; Y125-R143 HydrophobicContact CD1-CG 4.43Å; Y125-R143 HydrophobicContact CE1-CB 4.2Å; Y125-R143 HydrophobicContact CE1-CG 4.32Å; Y125-R143 WeakPolarHBondContact OH-CD 3.12Å; Y125-R143 PolarHBondContact OH-NE 2.79Å
126	E	95.2	Very high	93.6	Very high	107 Å²	107	68.9 Å²	68.9	50%	0.5	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	114.5	177.3	-168.7	-172.9	143.1	0	0	110.7	I128 F141 K142	E126-I128 PolarHBondContact O-N 2.85Å; E126-F141 CarbonylContact O-C 3.37Å; E126-F141 WeakPolarHBondContact O-CA 3.38Å; E126-F141 WeakPolarHBondContact O-CB 3.27Å; E126-K142 HydrophobicContact CB-CG 3.97Å; E126-K142 PolarHBondContact N-O 2.85Å; E126-K142 PolarHBondContact O-N 3.49Å; E126-K142 WeakPolarHBondContact OE2-CE 3.42Å; E126-K142 IonicContact OE2-NZ 3.79Å; E126-K142 PolarHBondContact OE2-NZ 2.9Å; E126-K142 VanDerWaalsContact OE2-NZ 3.08Å
127	L	96.1	Very high	93.6	Very high	69 Å²	69	63.8 Å²	63.8	36%	0.361	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	124.4	173.7	-176.3	66.5	0	0	0	110.8	F106 L139	F106-L127 HydrophobicContact CB-CD2 4.09Å; F106-L127 HydrophobicContact CD1-CB 3.7Å; F106-L127 HydrophobicContact CD1-CD2 4.38Å; F106-L127 HydrophobicContact CD1-CG 4.45Å; F106-L127 HydrophobicContact CD2-CD1 3.99Å; F106-L127 HydrophobicContact CD2-CD2 4.43Å; F106-L127 HydrophobicContact CE1-CB 3.67Å; F106-L127 HydrophobicContact CE2-CD1 3.89Å; F106-L127 HydrophobicContact CG-CB 4.16Å; F106-L127 HydrophobicContact CG-CD1 4.32Å; F106-L127 HydrophobicContact CG-CD2 4.06Å; F106-L127 HydrophobicContact CG-CG 4.41Å; F106-L127 HydrophobicContact CZ-CB 4.07Å; F106-L127 HydrophobicContact CZ-CD1 4.15Å; L127-L139 HydrophobicContact CD1-CD2 4.23Å
128	I	95.9	Very high	93.6	Very high	79 Å²	79	65 Å²	65	41%	0.405	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-46.7	177.8	-60	170.8	0	0	0	110.3	Y67 E126 L140 K142	Y67-I128 HydrophobicContact CD1-CD1 3.65Å; Y67-I128 HydrophobicContact CE1-CD1 3.81Å; E126-I128 PolarHBondContact O-N 2.85Å; I128-L140 WeakPolarHBondContact CA-O 2.93Å; I128-L140 HydrophobicContact CB-CD2 4.32Å; I128-L140 HydrophobicContact CB-CG 4.05Å; I128-L140 WeakPolarHBondContact CB-O 3.22Å; I128-L140 HydrophobicContact CD1-CG 4.28Å; I128-L140 HydrophobicContact CG2-CD2 4.01Å; I128-L140 HydrophobicContact CG2-CG 4.3Å; I128-L140 PolarHBondContact N-O 2.82Å; I128-K142 HydrophobicContact CD1-CB 4.05Å; I128-K142 HydrophobicContact CD1-CD 4.23Å; I128-K142 HydrophobicContact CD1-CG 3.96Å; I128-K142 HydrophobicContact CG1-CG 4.4Å
129	E	94.7	Very high	93.6	Very high	76 Å²	76	62.9 Å²	62.9	36%	0.355	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	139.9	-176.4	-165.4	-175.7	-158.9	0	0	111.5	K131 L139 L140	E129-K131 VanDerWaalsContact CD-CE 3.43Å; E129-K131 HydrophobicContact CG-CD 4.44Å; E129-K131 WeakPolarHBondContact OE1-CD 3.39Å; E129-K131 WeakPolarHBondContact OE1-CE 3.33Å; E129-K131 IonicContact OE1-NZ 2.95Å; E129-K131 PolarHBondContact OE1-NZ 3.5Å; E129-K131 WeakPolarHBondContact OE2-CE 3.46Å; E129-K131 IonicContact OE2-NZ 3.83Å; E129-K131 PolarHBondContact OE2-NZ 3.32Å; E129-L139 CarbonylContact O-C 3.59Å; E129-L140 HydrophobicContact CB-CB 4.07Å; E129-L140 HydrophobicContact CB-CD2 4.49Å; E129-L140 PolarHBondContact N-O 2.89Å; E129-L140 PolarHBondContact O-N 3.21Å
130	A	94.9	Very high	93.8	Very high	54 Å²	54	59.5 Å²	59.5	45%	0.446	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	120.6	167.9	0	0	0	0	0	108.6	F137 Y138 L139	A130-F137 HydrophobicContact CB-CZ 4.07Å; A130-Y138 CarbonylContact C-O 3.5Å; A130-Y138 WeakPolarHBondContact CA-O 3.46Å; A130-L139 HydrophobicContact CB-CD2 3.84Å
131	K	93.9	Very high	94	Very high	67 Å²	67	59.3 Å²	59.3	29%	0.291	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	138.2	-176.5	63.1	179.8	158.4	-155.9	0	113.5	E129 K133 Y138	E129-K131 VanDerWaalsContact CD-CE 3.43Å; E129-K131 HydrophobicContact CG-CD 4.44Å; E129-K131 WeakPolarHBondContact OE1-CD 3.39Å; E129-K131 WeakPolarHBondContact OE1-CE 3.33Å; E129-K131 IonicContact OE1-NZ 2.95Å; E129-K131 PolarHBondContact OE1-NZ 3.5Å; E129-K131 WeakPolarHBondContact OE2-CE 3.46Å; E129-K131 IonicContact OE2-NZ 3.83Å; E129-K131 PolarHBondContact OE2-NZ 3.32Å; K131-K133 HydrophobicContact CD-CG 4.5Å; K131-K133 HydrophobicContact CG-CG 4.49Å; K131-Y138 PolarHBondContact N-O 3.23Å; K131-Y138 PolarHBondContact O-N 2.69Å
132	Q	94.1	Very high	94.4	Very high	127 Å²	127	55.6 Å²	55.6	59%	0.593	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	129.7	166.3	-174.1	64.8	46.5	0	0	109.7	G136 F137	Q132-G136 PolarHBondContact NE2-O 3.38Å; Q132-F137 HydrophobicContact CB-CD2 4.33Å
133	K	93.7	Very high	94.7	Very high	80 Å²	80	51.9 Å²	51.9	35%	0.348	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	174.5	168.1	-62.1	-171.9	-167.3	163.3	0	110.2	K131 D135 G136 Y138	K131-K133 HydrophobicContact CD-CG 4.5Å; K131-K133 HydrophobicContact CG-CG 4.49Å; K133-D135 VanDerWaalsContact CB-OD1 3.29Å; K133-D135 WeakPolarHBondContact CB-OD1 3.41Å; K133-D135 PolarHBondContact O-N 3.11Å; K133-G136 WeakPolarHBondContact CA-O 3.28Å; K133-G136 PolarHBondContact N-O 3.48Å; K133-G136 PolarHBondContact O-N 3.49Å; K133-Y138 HydrophobicContact CB-CD2 4.1Å; K133-Y138 HydrophobicContact CB-CE2 3.99Å; K133-Y138 HydrophobicContact CD-CD2 3.73Å; K133-Y138 HydrophobicContact CD-CE2 3.62Å; K133-Y138 HydrophobicContact CD-CG 4.43Å; K133-Y138 HydrophobicContact CG-CD2 3.85Å; K133-Y138 HydrophobicContact CG-CE2 4.05Å
134	A	91	Very high	94.9	Very high	118 Å²	118	49.5 Å²	49.5	98%	0.975	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-28.5	178.4	0	0	0	0	0	113.1
135	D	91.5	Very high	95	Very high	73 Å²	73	48.9 Å²	48.9	39%	0.39	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	4.5	-175	69.3	-52.1	0	0	0	114	R71 K133 Y138	R71-D135 PolarHBondContact NE-O 2.74Å; R71-D135 IonicContact NE-OD2 3.74Å; R71-D135 PolarHBondContact NE-OD2 3.25Å; R71-D135 PolarHBondContact NH2-O 2.87Å; K133-D135 VanDerWaalsContact CB-OD1 3.29Å; K133-D135 WeakPolarHBondContact CB-OD1 3.41Å; K133-D135 PolarHBondContact O-N 3.11Å; D135-Y138 PolarHBondContact OD2-OH 3.34Å
136	G	94.9	Very high	94.9	Very high	1 Å²	1	49 Å²	49	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	148.3	177.1	177	0	0	0	0	0	114	V72 Q132 K133 Y138	V72-G136 CarbonylContact O-C 3.4Å; V72-G136 VanDerWaalsContact O-CA 3.28Å; V72-G136 WeakPolarHBondContact O-CA 3.11Å; Q132-G136 PolarHBondContact NE2-O 3.38Å; K133-G136 WeakPolarHBondContact CA-O 3.28Å; K133-G136 PolarHBondContact N-O 3.48Å; K133-G136 PolarHBondContact O-N 3.49Å; G136-Y138 WeakPolarHBondContact O-CD2 3.46Å
137	F	96.1	Very high	94.7	Very high	32 Å²	32	44.7 Å²	44.7	14%	0.14	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	135.8	172.6	-172.3	-96.9	0	0	0	110.5	R71 V72 L75 L97 A130 Q132 L139	R71-F137 CarbonylContact C-O 3.14Å; R71-F137 WeakPolarHBondContact CA-O 3.47Å; V72-F137 PolarHBondContact N-O 2.62Å; V72-F137 PolarHBondContact O-N 2.78Å; L75-F137 HydrophobicContact CB-CB 3.99Å; L75-F137 HydrophobicContact CB-CG 4.27Å; L75-F137 HydrophobicContact CD2-CB 4.44Å; L75-F137 HydrophobicContact CD2-CD1 3.58Å; L75-F137 HydrophobicContact CD2-CD2 4.2Å; L75-F137 HydrophobicContact CD2-CE1 3.69Å; L75-F137 HydrophobicContact CD2-CE2 4.32Å; L75-F137 HydrophobicContact CD2-CG 3.82Å; L75-F137 HydrophobicContact CD2-CZ 4.07Å; L97-F137 HydrophobicContact CD2-CE1 3.67Å; L97-F137 HydrophobicContact CD2-CZ 4.19Å; A130-F137 HydrophobicContact CB-CZ 4.07Å; Q132-F137 HydrophobicContact CB-CD2 4.33Å; F137-L139 HydrophobicContact CD1-CD2 4.49Å; F137-L139 HydrophobicContact CD1-CG 4.13Å; F137-L139 HydrophobicContact CE1-CD1 4.31Å; F137-L139 HydrophobicContact CE1-CD2 3.53Å; F137-L139 HydrophobicContact CE1-CG 3.63Å; F137-L139 HydrophobicContact CZ-CD2 4.17Å
138	Y	96.5	Very high	94.3	Very high	24 Å²	24	45.5 Å²	45.5	9%	0.094	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.3	-176	-75	-102.2	0	0	0	110.5	Q69 L70 R71 A130 K131 K133 D135 G136	Q69-Y138 HydrophobicContact CG-CD1 4.25Å; L70-Y138 WeakPolarHBondContact O-CA 3.44Å; R71-Y138 HydrophobicContact CB-CD1 4.17Å; R71-Y138 HydrophobicContact CB-CE1 3.88Å; R71-Y138 WeakPolarHBondContact CD-OH 3.49Å; R71-Y138 HydrophobicContact CG-CE1 3.98Å; R71-Y138 HydrophobicContact CG-CE2 4.02Å; A130-Y138 CarbonylContact C-O 3.5Å; A130-Y138 WeakPolarHBondContact CA-O 3.46Å; K131-Y138 PolarHBondContact N-O 3.23Å; K131-Y138 PolarHBondContact O-N 2.69Å; K133-Y138 HydrophobicContact CB-CD2 4.1Å; K133-Y138 HydrophobicContact CB-CE2 3.99Å; K133-Y138 HydrophobicContact CD-CD2 3.73Å; K133-Y138 HydrophobicContact CD-CE2 3.62Å; K133-Y138 HydrophobicContact CD-CG 4.43Å; K133-Y138 HydrophobicContact CG-CD2 3.85Å; K133-Y138 HydrophobicContact CG-CE2 4.05Å; D135-Y138 PolarHBondContact OD2-OH 3.34Å; G136-Y138 WeakPolarHBondContact O-CD2 3.46Å
139	L	96.8	Very high	94	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	133.3	168.9	-68.5	168.6	0	0	0	108.8	Q69 L70 V79 L97 L127 E129 A130 F137 F141	Q69-L139 CarbonylContact C-O 3.54Å; Q69-L139 WeakPolarHBondContact CA-O 3.31Å; Q69-L139 WeakPolarHBondContact CG-O 3.21Å; L70-L139 HydrophobicContact CB-CB 4.34Å; L70-L139 HydrophobicContact CD2-CD1 4.47Å; L70-L139 PolarHBondContact N-O 3.46Å; L70-L139 PolarHBondContact O-N 3.17Å; V79-L139 HydrophobicContact CG1-CD1 3.75Å; L97-L139 HydrophobicContact CB-CD1 4.2Å; L97-L139 HydrophobicContact CD1-CD2 4.38Å; L97-L139 HydrophobicContact CD2-CD1 4.04Å; L97-L139 HydrophobicContact CD2-CD2 4.2Å; L127-L139 HydrophobicContact CD1-CD2 4.23Å; E129-L139 CarbonylContact O-C 3.59Å; A130-L139 HydrophobicContact CB-CD2 3.84Å; F137-L139 HydrophobicContact CD1-CD2 4.49Å; F137-L139 HydrophobicContact CD1-CG 4.13Å; F137-L139 HydrophobicContact CE1-CD1 4.31Å; F137-L139 HydrophobicContact CE1-CD2 3.53Å; F137-L139 HydrophobicContact CE1-CG 3.63Å; F137-L139 HydrophobicContact CZ-CD2 4.17Å; L139-F141 HydrophobicContact CB-CD1 4.28Å; L139-F141 HydrophobicContact CB-CE1 4.35Å
140	L	97.1	Very high	93.5	Very high	20 Å²	20	45.1 Å²	45.1	11%	0.105	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.3	170.6	175.5	61.1	0	0	0	108.2	M41 I68 Q69 I128 E129	M41-L140 HydrophobicContact CE-CD1 3.3Å; I68-L140 WeakPolarHBondContact O-CA 3.39Å; I68-L140 WeakPolarHBondContact O-CD1 3.45Å; Q69-L140 HydrophobicContact CB-CD1 4.22Å; I128-L140 WeakPolarHBondContact CA-O 2.93Å; I128-L140 HydrophobicContact CB-CD2 4.32Å; I128-L140 HydrophobicContact CB-CG 4.05Å; I128-L140 WeakPolarHBondContact CB-O 3.22Å; I128-L140 HydrophobicContact CD1-CG 4.28Å; I128-L140 HydrophobicContact CG2-CD2 4.01Å; I128-L140 HydrophobicContact CG2-CG 4.3Å; I128-L140 PolarHBondContact N-O 2.82Å; E129-L140 HydrophobicContact CB-CB 4.07Å; E129-L140 HydrophobicContact CB-CD2 4.49Å; E129-L140 PolarHBondContact N-O 2.89Å; E129-L140 PolarHBondContact O-N 3.21Å
141	F	97	Very high	93.2	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.009	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	168.9	178.3	53.8	-88.8	0	0	0	109.7	I68 L81 V95 F106 Y125 E126 L139	I68-F141 HydrophobicContact CB-CD2 4.06Å; I68-F141 HydrophobicContact CB-CE1 4.42Å; I68-F141 HydrophobicContact CB-CE2 3.6Å; I68-F141 HydrophobicContact CB-CZ 3.79Å; I68-F141 HydrophobicContact CD1-CE2 3.85Å; I68-F141 HydrophobicContact CG1-CE2 4.26Å; I68-F141 HydrophobicContact CG2-CE1 4.11Å; I68-F141 HydrophobicContact CG2-CE2 3.79Å; I68-F141 HydrophobicContact CG2-CZ 3.47Å; I68-F141 VanDerWaalsContact CG2-CZ 3.47Å; I68-F141 PolarHBondContact N-O 2.82Å; I68-F141 PolarHBondContact O-N 3Å; L81-F141 HydrophobicContact CD2-CZ 3.8Å; V95-F141 HydrophobicContact CG1-CE2 3.93Å; V95-F141 HydrophobicContact CG1-CZ 3.83Å; F106-F141 HydrophobicContact CE2-CD1 4.15Å; F106-F141 HydrophobicContact CE2-CG 4.4Å; F106-F141 HydrophobicContact CZ-CB 3.86Å; F106-F141 HydrophobicContact CZ-CD1 4.21Å; F106-F141 AromaticContact CZ-CG 3.99Å; F106-F141 HydrophobicContact CZ-CG 3.99Å; Y125-F141 AromaticContact CD1-CD2 3.78Å; Y125-F141 HydrophobicContact CD1-CD2 3.78Å; Y125-F141 AromaticContact CD1-CE2 3.76Å; Y125-F141 HydrophobicContact CD1-CE2 3.76Å; Y125-F141 HydrophobicContact CE1-CE2 4.14Å; E126-F141 CarbonylContact O-C 3.37Å; E126-F141 WeakPolarHBondContact O-CA 3.38Å; E126-F141 WeakPolarHBondContact O-CB 3.27Å; L139-F141 HydrophobicContact CB-CD1 4.28Å; L139-F141 HydrophobicContact CB-CE1 4.35Å
142	K	96.4	Very high	93.1	Very high	36 Å²	36	46 Å²	46	16%	0.157	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	157.2	175.6	62.8	171.5	-175.5	146	0	111.5	E65 V66 Y67 Y125 E126 I128	E65-K142 IonicContact OE1-NZ 3.41Å; E65-K142 PolarHBondContact OE1-NZ 2.85Å; V66-K142 CarbonylContact O-C 3.52Å; V66-K142 WeakPolarHBondContact O-CA 3.32Å; Y67-K142 HydrophobicContact CD1-CB 3.79Å; Y67-K142 HydrophobicContact CD1-CD 4.47Å; Y67-K142 HydrophobicContact CE1-CB 4.01Å; Y67-K142 HydrophobicContact CE1-CD 3.84Å; Y67-K142 HydrophobicContact CE1-CG 4.43Å; Y67-K142 HydrophobicContact CG-CB 4.26Å; Y125-K142 WeakPolarHBondContact CA-O 3.37Å; E126-K142 HydrophobicContact CB-CG 3.97Å; E126-K142 PolarHBondContact N-O 2.85Å; E126-K142 PolarHBondContact O-N 3.49Å; E126-K142 WeakPolarHBondContact OE2-CE 3.42Å; E126-K142 IonicContact OE2-NZ 3.79Å; E126-K142 PolarHBondContact OE2-NZ 2.9Å; E126-K142 VanDerWaalsContact OE2-NZ 3.08Å; I128-K142 HydrophobicContact CD1-CB 4.05Å; I128-K142 HydrophobicContact CD1-CD 4.23Å; I128-K142 HydrophobicContact CD1-CG 3.96Å; I128-K142 HydrophobicContact CG1-CG 4.4Å
143	R	95.8	Very high	93.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	138.5	178.2	175.2	172.9	-178.5	-71	3.6	110.7	E65 V66 D93 Y125 Y153 I155	E65-R143 WeakPolarHBondContact CA-O 3.45Å; V66-R143 PolarHBondContact N-O 3.1Å; V66-R143 PolarHBondContact O-N 3.19Å; D93-R143 IonicContact OD2-CZ 2.74Å; D93-R143 IonicContact OD2-NE 3.86Å; D93-R143 PolarHBondContact OD2-NE 3.43Å; D93-R143 IonicContact OD2-NH2 3.49Å; D93-R143 PolarHBondContact OD2-NH2 2.92Å; Y125-R143 HydrophobicContact CD1-CB 4.02Å; Y125-R143 HydrophobicContact CD1-CG 4.43Å; Y125-R143 HydrophobicContact CE1-CB 4.2Å; Y125-R143 HydrophobicContact CE1-CG 4.32Å; Y125-R143 WeakPolarHBondContact OH-CD 3.12Å; Y125-R143 PolarHBondContact OH-NE 2.79Å; R143-Y153 PolarHBondContact NH1-O 2.85Å; R143-Y153 PolarHBondContact NH2-O 2.98Å; R143-I155 VanDerWaalsContact NH1-CG1 3.34Å
144	P	95.2	Very high	93.1	Very high	42 Å²	42	38.9 Å²	38.9	27%	0.273	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	158.5	170.5	-23.6	35.3	0	0	0	113.3	Q64 D124 S146	Q64-P144 CarbonylContact O-C 3.52Å; Q64-P144 WeakPolarHBondContact O-CA 3.43Å; D124-P144 WeakPolarHBondContact O-CD 3.27Å; P144-S146 VanDerWaalsContact C-N 3.29Å; P144-S146 WeakPolarHBondContact CB-O 3.44Å; P144-S146 PolarHBondContact O-N 2.91Å
145	F	94.1	Very high	93.2	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.026	18%	0.18	C	C	.	.	S	Bend	trans	-62.4	-40.4	174.4	-65.5	-6.7	0	0	0	111.4	I59 Y61 Q64 V66 I155 L192 Y609	I59-F145 HydrophobicContact CG2-CE1 3.94Å; I59-F145 HydrophobicContact CG2-CZ 3.6Å; Y61-F145 AromaticContact CD1-CE2 3.97Å; Y61-F145 HydrophobicContact CD1-CE2 3.97Å; Y61-F145 HydrophobicContact CD1-CZ 4.12Å; Y61-F145 HydrophobicContact CE1-CE2 4.18Å; Y61-F145 HydrophobicContact CE1-CZ 4.26Å; Q64-F145 VanDerWaalsContact C-CD1 3.48Å; Q64-F145 HydrophobicContact CB-CB 4.44Å; Q64-F145 HydrophobicContact CB-CD2 3.64Å; Q64-F145 HydrophobicContact CB-CE2 3.95Å; Q64-F145 HydrophobicContact CB-CG 4Å; Q64-F145 HydrophobicContact CG-CD2 4.03Å; Q64-F145 HydrophobicContact CG-CE2 4.14Å; Q64-F145 VanDerWaalsContact O-CD1 3.3Å; Q64-F145 WeakPolarHBondContact O-CD1 3.04Å; Q64-F145 WeakPolarHBondContact O-CG 3.38Å; Q64-F145 PolarHBondContact O-N 2.92Å; V66-F145 HydrophobicContact CG2-CD1 3.78Å; V66-F145 HydrophobicContact CG2-CE1 3.6Å; F145-I155 WeakPolarHBondContact O-CB 3.28Å; F145-I155 PolarHBondContact O-N 2.91Å; F145-L192 HydrophobicContact CD1-CD2 3.9Å; F145-L192 HydrophobicContact CD2-CD1 4.34Å; F145-L192 HydrophobicContact CD2-CD2 4.38Å; F145-L192 HydrophobicContact CE1-CD2 3.51Å; F145-L192 HydrophobicContact CE2-CD1 4.39Å; F145-L192 HydrophobicContact CE2-CD2 4.03Å; F145-L192 HydrophobicContact CG-CD2 4.33Å; F145-L192 HydrophobicContact CZ-CD2 3.59Å; F145-Y609 HydrophobicContact CB-CD1 4.34Å; F145-Y609 HydrophobicContact CB-CE1 4.11Å; F145-Y609 HydrophobicContact CD2-CE1 4.21Å
146	S	93.1	Very high	93.1	Very high	13 Å²	13	30.7 Å²	30.7	9%	0.091	17%	0.166	C	C	.	.	S	Bend	trans	-133.5	146.6	177	66.4	0	0	0	0	109.9	P144 Y609	P144-S146 VanDerWaalsContact C-N 3.29Å; P144-S146 WeakPolarHBondContact CB-O 3.44Å; P144-S146 PolarHBondContact O-N 2.91Å; S146-Y609 WeakPolarHBondContact OG-CB 3.45Å
147	T	90.9	Very high	92.8	Very high	16 Å²	16	35.6 Å²	35.6	10%	0.098	19%	0.189	C	C	.	.			trans	-119.5	171	173.8	74.8	0	0	0	0	109	D124 D149 D152 C611	D124-T147 HydrophobicContact CB-CG2 3.57Å; D124-T147 WeakPolarHBondContact OD1-CB 3.35Å; D124-T147 WeakPolarHBondContact OD1-CG2 3.48Å; T147-D149 VanDerWaalsContact C-N 3.29Å; T147-D149 PolarHBondContact OG1-N 2.9Å; T147-D152 VanDerWaalsContact CB-OD2 3.26Å; T147-D152 WeakPolarHBondContact CB-OD2 3.31Å; T147-D152 HydrophobicContact CG2-CB 4.39Å; T147-D152 VanDerWaalsContact CG2-OD2 3.23Å; T147-D152 WeakPolarHBondContact CG2-OD2 3.42Å; T147-D152 WeakPolarHBondContact OG1-CB 3.28Å; T147-D152 PolarHBondContact OG1-OD2 2.94Å; T147-C611 VanDerWaalsContact C-SG 3.56Å; T147-C611 WeakPolarHBondContact O-CB 3.44Å
148	C	87.7	Confident	92.5	Very high	85 Å²	85	34.3 Å²	34.3	57%	0.574	18%	0.184	S	C	*	.	S	Bend	trans	-90.7	3.3	175.7	-80.9	0	0	0	0	112.1	C611	C148-C611 WeakPolarHBondContact CA-SG 3.5Å; C148-C611 HydrophobicContact CB-CB 3.89Å; C148-C611 WeakPolarHBondContact CB-SG 3.41Å; C148-C611 PolarHBondContact N-SG 2.89Å; C148-C611 WeakPolarHBondContact SG-CB 3.21Å; C148-C611 CovalentContact SG-SG 2.05Å; C148-C611 PolarHBondContact SG-SG 2.79Å
149	D	87.9	Confident	92.4	Very high	17 Å²	17	33.2 Å²	33.2	9%	0.091	18%	0.18	C	C	.	.			trans	-81.6	122.1	170.3	-161.8	-51.2	0	0	0	109.7	T147 R151 D152	T147-D149 VanDerWaalsContact C-N 3.29Å; T147-D149 PolarHBondContact OG1-N 2.9Å; D149-R151 PolarHBondContact O-N 3.42Å; D149-R151 VanDerWaalsContact OD1-CB 3.24Å; D149-R151 WeakPolarHBondContact OD1-CB 3.26Å; D149-R151 WeakPolarHBondContact OD1-CG 3.31Å; D149-R151 PolarHBondContact OD1-N 3.48Å; D149-D152 HydrophobicContact CB-CB 4.31Å; D149-D152 PolarHBondContact O-N 2.96Å
150	P	85.5	Confident	92.4	Very high	130 Å²	130	33 Å²	33	84%	0.844	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-8.4	178.5	30.5	-37.5	0	0	0	114.3
151	R	88.1	Confident	92.3	Very high	123 Å²	123	32.2 Å²	32.2	46%	0.464	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-13.6	176.4	-62.3	179.7	172.2	157.3	2.1	112.9	W110 D149	W110-R151 VanDerWaalsContact NE1-NH1 3.12Å; D149-R151 PolarHBondContact O-N 3.42Å; D149-R151 VanDerWaalsContact OD1-CB 3.24Å; D149-R151 WeakPolarHBondContact OD1-CB 3.26Å; D149-R151 WeakPolarHBondContact OD1-CG 3.31Å; D149-R151 PolarHBondContact OD1-N 3.48Å
152	D	91.3	Very high	92.3	Very high	16 Å²	16	32.2 Å²	32.2	9%	0.086	18%	0.175	C	C	.	.	S	Bend	trans	-81.9	150.7	-176.5	-77.8	1.9	0	0	0	112.6	D93 T147 D149	D93-D152 WeakPolarHBondContact OD2-CA 3.44Å; D93-D152 WeakPolarHBondContact OD2-CB 3.23Å; T147-D152 VanDerWaalsContact CB-OD2 3.26Å; T147-D152 WeakPolarHBondContact CB-OD2 3.31Å; T147-D152 HydrophobicContact CG2-CB 4.39Å; T147-D152 VanDerWaalsContact CG2-OD2 3.23Å; T147-D152 WeakPolarHBondContact CG2-OD2 3.42Å; T147-D152 WeakPolarHBondContact OG1-CB 3.28Å; T147-D152 PolarHBondContact OG1-OD2 2.94Å; D149-D152 HydrophobicContact CB-CB 4.31Å; D149-D152 PolarHBondContact O-N 2.96Å
153	Y	93.9	Very high	92.3	Very high	20 Å²	20	30.5 Å²	30.5	8%	0.078	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-79.7	123.3	178.7	-177.8	-92.1	0	0	0	111.3	M83 S84 D93 R143 I155 V160 H433	M83-Y153 HydrophobicContact CB-CD1 3.73Å; M83-Y153 HydrophobicContact CB-CD2 4.26Å; M83-Y153 HydrophobicContact CB-CE1 4.34Å; M83-Y153 HydrophobicContact CB-CG 3.69Å; M83-Y153 HydrophobicContact CG-CD1 4.4Å; M83-Y153 HydrophobicContact SD-CD1 3.86Å; M83-Y153 HydrophobicContact SD-CE1 4.34Å; S84-Y153 WeakPolarHBondContact O-CE2 3.38Å; D93-Y153 PolarHBondContact OD2-N 2.96Å; R143-Y153 PolarHBondContact NH1-O 2.85Å; R143-Y153 PolarHBondContact NH2-O 2.98Å; Y153-I155 HydrophobicContact CD1-CG1 4.11Å; Y153-I155 HydrophobicContact CE1-CG1 4.41Å; Y153-I155 PolarHBondContact O-N 2.59Å; Y153-V160 HydrophobicContact CE1-CG1 3.99Å; Y153-V160 HydrophobicContact CE1-CG2 4.2Å; Y153-H433 AromaticContact CE2-CE1 3.91Å; Y153-H433 AromaticContact CZ-NE2 3.93Å; Y153-H433 PolarHBondContact OH-CD2 3.39Å; Y153-H433 PolarHBondContact OH-NE2 2.92Å
154	V	93.7	Very high	92.4	Very high	39 Å²	39	31.7 Å²	31.7	24%	0.236	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-77.1	116.5	174.4	-176.5	0	0	0	0	109.9	E156 Y609	V154-E156 HydrophobicContact CG1-CB 4.46Å; V154-E156 PolarHBondContact O-N 2.78Å; V154-E156 VanDerWaalsContact O-N 3.08Å; V154-Y609 HydrophobicContact CG1-CD2 3.8Å; V154-Y609 HydrophobicContact CG1-CE2 4.05Å; V154-Y609 HydrophobicContact CG1-CG 4.39Å
155	I	93.7	Very high	92.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.			trans	-79.1	92.5	173.1	-58.3	169.6	0	0	0	108.1	V66 M83 R143 F145 Y153 V160 M191 L192	V66-I155 HydrophobicContact CG2-CD1 4.19Å; M83-I155 HydrophobicContact CE-CD1 3.94Å; M83-I155 HydrophobicContact CE-CG1 4.5Å; M83-I155 HydrophobicContact SD-CD1 3.91Å; M83-I155 HydrophobicContact SD-CG1 3.81Å; R143-I155 VanDerWaalsContact NH1-CG1 3.34Å; F145-I155 WeakPolarHBondContact O-CB 3.28Å; F145-I155 PolarHBondContact O-N 2.91Å; Y153-I155 HydrophobicContact CD1-CG1 4.11Å; Y153-I155 HydrophobicContact CE1-CG1 4.41Å; Y153-I155 PolarHBondContact O-N 2.59Å; I155-V160 HydrophobicContact CG2-CG2 4.38Å; I155-M191 HydrophobicContact CG2-CB 4.06Å; I155-M191 HydrophobicContact CG2-CG 4.06Å; I155-L192 HydrophobicContact CG2-CD1 4.2Å; I155-L192 HydrophobicContact CG2-CD2 3.88Å; I155-L192 HydrophobicContact CG2-CG 3.77Å
156	E	89.7	Confident	92.4	Very high	19 Å²	19	31.9 Å²	31.9	9%	0.089	17%	0.171	C	C	.	.			trans	-103.1	179.5	176.4	62.8	177.8	-171.8	0	0	113.6	V154 G158 Q432 H433 K606 Y609	V154-E156 HydrophobicContact CG1-CB 4.46Å; V154-E156 PolarHBondContact O-N 2.78Å; V154-E156 VanDerWaalsContact O-N 3.08Å; E156-G158 PolarHBondContact O-N 3.09Å; E156-Q432 PolarHBondContact OE1-OE1 3.39Å; E156-H433 IonicContact OE1-CD2 2.78Å; E156-H433 IonicContact OE1-NE2 3.8Å; E156-K606 IonicContact OE1-NZ 3.63Å; E156-K606 WeakPolarHBondContact OE2-CE 3.42Å; E156-K606 IonicContact OE2-NZ 3.92Å; E156-K606 PolarHBondContact OE2-NZ 3.04Å; E156-Y609 WeakPolarHBondContact CA-OH 3.29Å; E156-Y609 HydrophobicContact CB-CE2 3.84Å
157	E	87.9	Confident	92.5	Very high	104 Å²	104	31.6 Å²	31.6	49%	0.486	17%	0.169	S	C	.	.	S	Bend	trans	-65.3	119.3	172.2	-70.8	-168.8	-177.2	0	0	110	K445	E157-K445 WeakPolarHBondContact OE1-CD 3.29Å; E157-K445 WeakPolarHBondContact OE1-CE 3.25Å; E157-K445 IonicContact OE1-NZ 3.53Å; E157-K445 PolarHBondContact OE1-NZ 2.9Å
158	G	90.6	Very high	92.5	Very high	5 Å²	5	34.9 Å²	34.9	5%	0.052	19%	0.186	C	C	.	.	S	Bend	trans	154.5	-172.6	-173.3	0	0	0	0	0	113	E156 L190 D431	E156-G158 PolarHBondContact O-N 3.09Å; G158-L190 WeakPolarHBondContact O-CD2 3.36Å; G158-D431 WeakPolarHBondContact CA-OD1 3.39Å
159	T	94.4	Very high	92.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.			trans	-76.2	135.2	167.9	-59.4	0	0	0	0	109.2	R188 D431 H433 Y438 R442	T159-R188 HydrophobicContact CG2-CB 4.02Å; T159-R188 HydrophobicContact CG2-CG 4.24Å; T159-D431 WeakPolarHBondContact CB-OD2 3.43Å; T159-D431 VanDerWaalsContact N-CG 3.33Å; T159-D431 PolarHBondContact N-OD1 3.18Å; T159-D431 PolarHBondContact N-OD2 3.07Å; T159-D431 VanDerWaalsContact N-OD2 3.15Å; T159-D431 PolarHBondContact OG1-OD2 2.76Å; T159-H433 WeakPolarHBondContact CB-O 3.11Å; T159-H433 WeakPolarHBondContact O-CB 3.38Å; T159-Y438 HydrophobicContact CG2-CD1 3.8Å; T159-Y438 HydrophobicContact CG2-CG 4.47Å; T159-R442 PolarHBondContact OG1-NH2 3.49Å
160	V	95.6	Very high	93	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.2	169.5	176.7	0	0	0	0	108.3	M83 Y153 I155 V162 R188 V189 M191	M83-V160 HydrophobicContact CB-CG1 4.43Å; M83-V160 HydrophobicContact CG-CG1 4.02Å; M83-V160 HydrophobicContact SD-CG1 3.69Å; Y153-V160 HydrophobicContact CE1-CG1 3.99Å; Y153-V160 HydrophobicContact CE1-CG2 4.2Å; I155-V160 HydrophobicContact CG2-CG2 4.38Å; V160-V162 HydrophobicContact CG1-CG2 4.2Å; V160-R188 WeakPolarHBondContact O-CA 3.42Å; V160-V189 HydrophobicContact CB-CG1 4.27Å; V160-V189 PolarHBondContact N-O 3.1Å; V160-V189 PolarHBondContact O-N 2.81Å; V160-M191 HydrophobicContact CB-CB 4.21Å; V160-M191 HydrophobicContact CG2-CB 3.72Å
161	H	96.3	Very high	93.3	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	108.1	174.2	-62.1	89.5	0	0	0	109.5	M83 S84 D85 R188 H433	M83-H161 WeakPolarHBondContact CA-O 3.32Å; S84-H161 PolarHBondContact N-O 2.85Å; D85-H161 PolarHBondContact O-CE1 2.88Å; D85-H161 PolarHBondContact O-ND1 2.83Å; H161-R188 PolarHBondContact CD2-NE 2.89Å; H161-R188 PolarHBondContact NE2-NE 2.82Å; H161-R188 VanDerWaalsContact NE2-NE 3.16Å; H161-H433 PolarHBondContact CE1-O 2.83Å
162	V	96.3	Very high	93.3	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	124.4	178.2	179.1	0	0	0	0	108.9	L47 L81 G82 V160 V186 Q187 V189 M191	L47-V162 HydrophobicContact CD2-CG1 4.39Å; L81-V162 HydrophobicContact CD1-CG1 3.59Å; L81-V162 HydrophobicContact CG-CG1 4.22Å; G82-V162 CarbonylContact O-C 3.58Å; G82-V162 VanDerWaalsContact O-CA 3.28Å; G82-V162 WeakPolarHBondContact O-CA 3.4Å; V160-V162 HydrophobicContact CG1-CG2 4.2Å; V162-V186 CarbonylContact O-C 3.51Å; V162-V186 WeakPolarHBondContact O-CA 3.41Å; V162-Q187 PolarHBondContact N-O 3.35Å; V162-Q187 PolarHBondContact O-N 2.78Å; V162-V189 HydrophobicContact CG2-CG1 3.87Å; V162-M191 HydrophobicContact CG2-CE 4.38Å
163	I	97.3	Very high	93.2	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	146.3	171.8	65.6	174.8	0	0	0	110	L81 G82 G87 L89 A92 L94 L179 M184 G185 V186	L81-I163 CarbonylContact C-O 3.59Å; L81-I163 WeakPolarHBondContact CA-O 3.34Å; G82-I163 PolarHBondContact N-O 2.84Å; G82-I163 PolarHBondContact O-N 2.86Å; G87-I163 VanDerWaalsContact O-CG2 3.32Å; G87-I163 WeakPolarHBondContact O-CG2 3.2Å; L89-I163 HydrophobicContact CD2-CD1 4.32Å; A92-I163 HydrophobicContact CB-CD1 3.58Å; L94-I163 HydrophobicContact CD2-CD1 3.71Å; L94-I163 HydrophobicContact CD2-CG1 4.21Å; I163-L179 HydrophobicContact CD1-CD1 4.3Å; I163-M184 HydrophobicContact CB-CE 4.27Å; I163-M184 HydrophobicContact CD1-CE 4.26Å; I163-M184 HydrophobicContact CG1-CE 4.3Å; I163-G185 WeakPolarHBondContact CA-O 3.37Å; I163-V186 HydrophobicContact CG2-CG2 4.08Å
164	Y	96.7	Very high	93	Very high	25 Å²	25	34.4 Å²	34.4	10%	0.098	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	154.6	-178.7	66.3	-92.6	0	0	0	112	L47 D48 L53 V80 M184 G185 Q187	L47-Y164 VanDerWaalsContact C-CZ 3.5Å; L47-Y164 HydrophobicContact CB-CD1 3.8Å; L47-Y164 HydrophobicContact CB-CD2 4.36Å; L47-Y164 HydrophobicContact CB-CE1 3.8Å; L47-Y164 HydrophobicContact CB-CE2 4.39Å; L47-Y164 HydrophobicContact CB-CG 4.08Å; L47-Y164 HydrophobicContact CD1-CD1 4.3Å; L47-Y164 HydrophobicContact CD1-CG 4.19Å; L47-Y164 HydrophobicContact CD2-CD1 4.23Å; L47-Y164 HydrophobicContact CG-CD1 4.34Å; L47-Y164 WeakPolarHBondContact O-CE1 3.29Å; L47-Y164 PolarHBondContact O-OH 2.66Å; D48-Y164 VanDerWaalsContact CA-OH 3.32Å; D48-Y164 WeakPolarHBondContact CA-OH 3.47Å; D48-Y164 HydrophobicContact CB-CE2 3.86Å; L53-Y164 HydrophobicContact CD1-CD2 3.41Å; L53-Y164 VanDerWaalsContact CD1-CD2 3.41Å; L53-Y164 HydrophobicContact CD1-CE2 3.99Å; L53-Y164 HydrophobicContact CD1-CG 4.22Å; V80-Y164 CarbonylContact O-C 3.49Å; V80-Y164 VanDerWaalsContact O-CA 3.25Å; V80-Y164 WeakPolarHBondContact O-CA 3.42Å; Y164-M184 CarbonylContact O-C 3.54Å; Y164-M184 VanDerWaalsContact O-CA 3.26Å; Y164-M184 WeakPolarHBondContact O-CA 3.13Å; Y164-M184 WeakPolarHBondContact O-CE 3.1Å; Y164-G185 VanDerWaalsContact CE1-C 3.46Å; Y164-G185 PolarHBondContact N-O 2.77Å; Y164-G185 PolarHBondContact O-N 2.81Å; Y164-Q187 HydrophobicContact CE1-CB 4.42Å
165	G	95.4	Very high	92.7	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	156.4	174.7	0	0	0	0	0	112.6	V79 V80	V79-G165 WeakPolarHBondContact CA-O 3.28Å; V79-G165 WeakPolarHBondContact CG2-O 3.4Å; V80-G165 PolarHBondContact N-O 2.87Å; V80-G165 PolarHBondContact O-N 2.77Å
166	L	94.7	Very high	92.5	Very high	52 Å²	52	39.9 Å²	39.9	27%	0.272	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	143.4	176	-69.3	174.3	0	0	0	110.4	L53 V72 V79	L53-L166 HydrophobicContact CD1-CD2 4.39Å; L53-L166 HydrophobicContact CD1-CG 4.2Å; L53-L166 HydrophobicContact CD2-CD2 4.04Å; V72-L166 HydrophobicContact CG1-CD2 3.77Å; V79-L166 HydrophobicContact CB-CD2 4.08Å; V79-L166 HydrophobicContact CG2-CD2 4Å
167	L	94.3	Very high	92.8	Very high	7 Å²	7	39.2 Å²	39.2	4%	0.037	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	115.8	175	-56.7	-178	0	0	0	109.9	H77 G78 V80 W98 L171 L177 I182	H77-L167 HydrophobicContact CB-CB 4.27Å; H77-L167 WeakPolarHBondContact CB-O 3.43Å; H77-L167 PolarHBondContact N-O 2.97Å; H77-L167 VanDerWaalsContact N-O 3.16Å; G78-L167 PolarHBondContact O-N 2.85Å; V80-L167 HydrophobicContact CG2-CD2 4.16Å; V80-L167 HydrophobicContact CG2-CG 4.48Å; W98-L167 HydrophobicContact CB-CD1 3.82Å; L167-L171 HydrophobicContact CD1-CD1 3.59Å; L167-L171 HydrophobicContact CD1-CG 4.34Å; L167-L177 HydrophobicContact CD2-CD1 3.78Å; L167-I182 HydrophobicContact CD2-CD1 3.92Å
168	D	91.1	Very high	93.1	Very high	85 Å²	85	35.4 Å²	35.4	46%	0.455	22%	0.216	S	C	.	.	S	Bend	trans	-86.5	-10.4	178	-78.6	-45.2	0	0	0	113.8	R76 H77	R76-D168 IonicContact NH1-OD1 3.65Å; H77-D168 VanDerWaalsContact CD2-C 3.46Å; H77-D168 PolarHBondContact CD2-O 3.46Å; H77-D168 VanDerWaalsContact CD2-O 3.27Å
169	Q	92.3	Very high	93.3	Very high	139 Å²	139	35.2 Å²	35.2	65%	0.65	21%	0.213	S	C	*	.	S	Bend	trans	-137.6	151.1	-177.2	-65	-61.5	-50.7	0	0	110.6	H77	H77-Q169 WeakPolarHBondContact CB-O 3.25Å
170	P	93.6	Very high	93.2	Very high	57 Å²	57	39 Å²	39	37%	0.37	24%	0.24	S	C	.	.			trans	-68.4	150	176.5	29.6	-34.2	0	0	0	110.9	D99	D99-P170 WeakPolarHBondContact OD1-CB 3.48Å
171	L	91.9	Very high	93	Very high	24 Å²	24	49.1 Å²	49.1	13%	0.126	28%	0.278	C	S	.	.			trans	-112.8	122.9	177.3	-65.2	175.1	0	0	0	110.2	W98 D99 N100 L167 S173 L177	W98-L171 HydrophobicContact CB-CD1 4.16Å; W98-L171 HydrophobicContact CG-CD1 4.49Å; D99-L171 PolarHBondContact O-N 2.88Å; N100-L171 VanDerWaalsContact CA-O 3.29Å; N100-L171 WeakPolarHBondContact CA-O 3.28Å; N100-L171 WeakPolarHBondContact CB-O 3.43Å; L167-L171 HydrophobicContact CD1-CD1 3.59Å; L167-L171 HydrophobicContact CD1-CG 4.34Å; L171-S173 VanDerWaalsContact C-N 3.35Å; L171-L177 HydrophobicContact CD1-CB 3.97Å; L171-L177 HydrophobicContact CD1-CD1 4.27Å; L171-L177 HydrophobicContact CD1-CD2 4.22Å; L171-L177 HydrophobicContact CD1-CG 4.38Å
172	A	89.1	Confident	92.8	Very high	87 Å²	87	51 Å²	51	72%	0.719	29%	0.287	S	S	*	.	S	Bend	trans	-66.7	-40.3	175.2	0	0	0	0	0	111.4
173	S	89	Confident	92.5	Very high	65 Å²	65	59.2 Å²	59.2	46%	0.455	33%	0.326	S	S	.	.	S	Bend	trans	-141.5	150.9	173.2	177.6	0	0	0	0	110	L171 G175 D176	L171-S173 VanDerWaalsContact C-N 3.35Å; S173-G175 PolarHBondContact O-N 2.86Å; S173-G175 PolarHBondContact OG-N 3.18Å; S173-D176 PolarHBondContact N-OD2 2.66Å; S173-D176 WeakPolarHBondContact O-CB 3.25Å; S173-D176 PolarHBondContact O-N 3Å; S173-D176 VanDerWaalsContact O-N 3.13Å
174	L	88.8	Confident	92.3	Very high	9 Å²	9	61.2 Å²	61.2	5%	0.047	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-61.7	-28.8	175.9	-171.5	63.6	0	0	0	112.1	V96 W98 A109 V117 L119 D176 L177	V96-L174 HydrophobicContact CB-CD1 4.15Å; V96-L174 HydrophobicContact CG1-CD1 3.9Å; V96-L174 HydrophobicContact CG2-CD1 4.22Å; W98-L174 HydrophobicContact CD2-CD1 4.22Å; W98-L174 HydrophobicContact CE3-CD1 4.17Å; W98-L174 HydrophobicContact CH2-CB 4.5Å; W98-L174 HydrophobicContact CH2-CD2 4.11Å; W98-L174 HydrophobicContact CZ2-CB 4.13Å; W98-L174 HydrophobicContact CZ3-CD1 4.4Å; W98-L174 HydrophobicContact CZ3-CD2 4.24Å; A109-L174 HydrophobicContact CB-CD2 3.8Å; V117-L174 HydrophobicContact CG1-CD1 3.96Å; V117-L174 HydrophobicContact CG1-CD2 3.99Å; V117-L174 HydrophobicContact CG1-CG 3.82Å; L119-L174 HydrophobicContact CB-CD2 4.22Å; L119-L174 HydrophobicContact CD1-CD2 3.82Å; L174-D176 PolarHBondContact O-N 3.35Å; L174-D176 VanDerWaalsContact O-N 3.13Å; L174-L177 HydrophobicContact CD1-CB 4.45Å; L174-L177 HydrophobicContact CD1-CD2 3.98Å; L174-L177 VanDerWaalsContact O-CB 3.24Å; L174-L177 WeakPolarHBondContact O-CB 3.48Å; L174-L177 PolarHBondContact O-N 3.01Å
175	G	89.1	Confident	92.1	Very high	48 Å²	48	60.8 Å²	60.8	50%	0.495	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-64.2	-14.7	176.8	0	0	0	0	0	114.8	S173 L177	S173-G175 PolarHBondContact O-N 2.86Å; S173-G175 PolarHBondContact OG-N 3.18Å; G175-L177 VanDerWaalsContact C-N 3.3Å
176	D	89.4	Confident	92	Very high	105 Å²	105	63 Å²	63	56%	0.561	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-80.6	-14.5	174.3	-60.9	-38.1	0	0	0	112.3	S173 L174	S173-D176 PolarHBondContact N-OD2 2.66Å; S173-D176 WeakPolarHBondContact O-CB 3.25Å; S173-D176 PolarHBondContact O-N 3Å; S173-D176 VanDerWaalsContact O-N 3.13Å; L174-D176 PolarHBondContact O-N 3.35Å; L174-D176 VanDerWaalsContact O-N 3.13Å
177	L	94.3	Very high	91.8	Very high	6 Å²	6	61 Å²	61	3%	0.031	34%	0.341	C	S	.	.			trans	-77	127	-179.4	-178.1	59.2	0	0	0	110.9	V80 V96 V117 L167 L171 L174 G175 L179 I182	V80-L177 HydrophobicContact CG2-CD2 3.95Å; V96-L177 HydrophobicContact CG1-CD2 4.38Å; V117-L177 HydrophobicContact CB-CB 4.14Å; V117-L177 HydrophobicContact CB-CD2 4.17Å; V117-L177 HydrophobicContact CB-CG 4.21Å; V117-L177 HydrophobicContact CG1-CD2 4.4Å; V117-L177 HydrophobicContact CG2-CB 4.23Å; V117-L177 HydrophobicContact CG2-CD2 3.81Å; V117-L177 HydrophobicContact CG2-CG 3.78Å; V117-L177 PolarHBondContact N-O 3.15Å; L167-L177 HydrophobicContact CD2-CD1 3.78Å; L171-L177 HydrophobicContact CD1-CB 3.97Å; L171-L177 HydrophobicContact CD1-CD1 4.27Å; L171-L177 HydrophobicContact CD1-CD2 4.22Å; L171-L177 HydrophobicContact CD1-CG 4.38Å; L174-L177 HydrophobicContact CD1-CB 4.45Å; L174-L177 HydrophobicContact CD1-CD2 3.98Å; L174-L177 VanDerWaalsContact O-CB 3.24Å; L174-L177 WeakPolarHBondContact O-CB 3.48Å; L174-L177 PolarHBondContact O-N 3.01Å; G175-L177 VanDerWaalsContact C-N 3.3Å; L177-L179 HydrophobicContact CD2-CD2 4.29Å; L177-L179 HydrophobicContact CG-CD2 4.33Å; L177-I182 HydrophobicContact CD1-CD1 4.14Å; L177-I182 HydrophobicContact CD1-CG2 4.45Å
178	N	95	Very high	91.7	Very high	24 Å²	24	62.7 Å²	62.7	13%	0.128	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-127.3	120.6	168	-176.1	-74.2	0	0	0	108.8	K114 G115 R116 S180 R181	K114-N178 PolarHBondContact O-ND2 2.92Å; G115-N178 CarbonylContact O-C 3.54Å; G115-N178 WeakPolarHBondContact O-CA 3.16Å; R116-N178 WeakPolarHBondContact CG-ND2 3.4Å; N178-S180 PolarHBondContact O-N 3.49Å; N178-S180 VanDerWaalsContact OD1-CB 3.28Å; N178-S180 WeakPolarHBondContact OD1-CB 3.47Å; N178-S180 PolarHBondContact OD1-N 3.29Å; N178-R181 HydrophobicContact CB-CG 4.17Å; N178-R181 WeakPolarHBondContact O-CB 3.19Å; N178-R181 PolarHBondContact O-N 3.04Å
179	L	94.8	Very high	91.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-63.2	-29.8	-174.3	-61.5	-173.1	0	0	0	112.5	V80 L89 L94 G115 V117 I163 L177 R181 I182 M184	V80-L179 HydrophobicContact CG1-CD2 4Å; V80-L179 HydrophobicContact CG2-CD2 4.36Å; L89-L179 HydrophobicContact CB-CB 3.96Å; L89-L179 HydrophobicContact CB-CD1 4.32Å; L89-L179 HydrophobicContact CD1-CB 4.27Å; L89-L179 WeakPolarHBondContact O-CD1 3.27Å; L94-L179 HydrophobicContact CD1-CD1 3.87Å; L94-L179 HydrophobicContact CD2-CD1 4.1Å; G115-L179 PolarHBondContact O-N 2.99Å; V117-L179 HydrophobicContact CG2-CD1 4.33Å; V117-L179 HydrophobicContact CG2-CD2 3.73Å; V117-L179 HydrophobicContact CG2-CG 3.73Å; I163-L179 HydrophobicContact CD1-CD1 4.3Å; L177-L179 HydrophobicContact CD2-CD2 4.29Å; L177-L179 HydrophobicContact CG-CD2 4.33Å; L179-R181 PolarHBondContact O-N 3.36Å; L179-I182 HydrophobicContact CD2-CD1 4.14Å; L179-I182 WeakPolarHBondContact O-CG1 3.25Å; L179-I182 PolarHBondContact O-N 2.74Å; L179-M184 HydrophobicContact CB-CG 4.39Å; L179-M184 HydrophobicContact CD1-CE 4.37Å; L179-M184 HydrophobicContact CD2-CE 4.25Å; L179-M184 HydrophobicContact CD2-SD 4.18Å; L179-M184 WeakPolarHBondContact O-CG 3.22Å
180	S	92	Very high	91.7	Very high	79 Å²	79	53.1 Å²	53.1	55%	0.552	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-71.6	-7.2	177	-46.7	0	0	0	0	113.8	N178	N178-S180 PolarHBondContact O-N 3.49Å; N178-S180 VanDerWaalsContact OD1-CB 3.28Å; N178-S180 WeakPolarHBondContact OD1-CB 3.47Å; N178-S180 PolarHBondContact OD1-N 3.29Å
181	R	91.8	Very high	91.7	Very high	214 Å²	214	50.5 Å²	50.5	81%	0.808	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-102.8	-2.1	178.7	-63.3	-175.2	176.2	-179	-4.5	113.6	N178 L179	N178-R181 HydrophobicContact CB-CG 4.17Å; N178-R181 WeakPolarHBondContact O-CB 3.19Å; N178-R181 PolarHBondContact O-N 3.04Å; L179-R181 PolarHBondContact O-N 3.36Å
182	I	91.6	Very high	91.6	Very high	41 Å²	41	50.1 Å²	50.1	21%	0.21	28%	0.281	C	S	.	.	S	Bend	trans	-119.2	161.2	176.8	60.8	167.7	0	0	0	109.8	V80 L167 L177 L179 M184	V80-I182 HydrophobicContact CG2-CD1 4.29Å; L167-I182 HydrophobicContact CD2-CD1 3.92Å; L177-I182 HydrophobicContact CD1-CD1 4.14Å; L177-I182 HydrophobicContact CD1-CG2 4.45Å; L179-I182 HydrophobicContact CD2-CD1 4.14Å; L179-I182 WeakPolarHBondContact O-CG1 3.25Å; L179-I182 PolarHBondContact O-N 2.74Å; I182-M184 HydrophobicContact CD1-CG 4.34Å; I182-M184 HydrophobicContact CD1-SD 3.45Å; I182-M184 WeakPolarHBondContact CD1-SD 3.1Å; I182-M184 HydrophobicContact CG1-CG 3.95Å; I182-M184 HydrophobicContact CG1-SD 3.75Å; I182-M184 PolarHBondContact O-N 2.98Å
183	H	90.2	Very high	91.5	Very high	176 Å²	176	46.9 Å²	46.9	82%	0.815	25%	0.25	S	C	*	.			trans	-74.3	109.1	173.8	-73.2	85.5	0	0	0	108.8
184	M	93.3	Very high	91.1	Very high	42 Å²	42	46 Å²	46	21%	0.207	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	145.6	175.5	-63.2	-65.5	-67.4	0	0	110	V80 L89 I163 Y164 L179 I182	V80-M184 HydrophobicContact CG1-CE 4.2Å; L89-M184 HydrophobicContact CD1-CB 4Å; L89-M184 HydrophobicContact CD1-CG 3.86Å; L89-M184 HydrophobicContact CD2-CB 3.54Å; L89-M184 HydrophobicContact CD2-CE 4.05Å; L89-M184 HydrophobicContact CD2-CG 3.74Å; L89-M184 HydrophobicContact CG-CB 4.42Å; L89-M184 HydrophobicContact CG-CG 4.44Å; I163-M184 HydrophobicContact CB-CE 4.27Å; I163-M184 HydrophobicContact CD1-CE 4.26Å; I163-M184 HydrophobicContact CG1-CE 4.3Å; Y164-M184 CarbonylContact O-C 3.54Å; Y164-M184 VanDerWaalsContact O-CA 3.26Å; Y164-M184 WeakPolarHBondContact O-CA 3.13Å; Y164-M184 WeakPolarHBondContact O-CE 3.1Å; L179-M184 HydrophobicContact CB-CG 4.39Å; L179-M184 HydrophobicContact CD1-CE 4.37Å; L179-M184 HydrophobicContact CD2-CE 4.25Å; L179-M184 HydrophobicContact CD2-SD 4.18Å; L179-M184 WeakPolarHBondContact O-CG 3.22Å; I182-M184 HydrophobicContact CD1-CG 4.34Å; I182-M184 HydrophobicContact CD1-SD 3.45Å; I182-M184 WeakPolarHBondContact CD1-SD 3.1Å; I182-M184 HydrophobicContact CG1-CG 3.95Å; I182-M184 HydrophobicContact CG1-SD 3.75Å; I182-M184 PolarHBondContact O-N 2.98Å
185	G	92.6	Very high	90.3	Very high	15 Å²	15	51.8 Å²	51.8	16%	0.155	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	165.9	168.3	0	0	0	0	0	111.3	I163 Y164	I163-G185 WeakPolarHBondContact CA-O 3.37Å; Y164-G185 VanDerWaalsContact CE1-C 3.46Å; Y164-G185 PolarHBondContact N-O 2.77Å; Y164-G185 PolarHBondContact O-N 2.81Å
186	V	92.9	Very high	89.5	Confident	48 Å²	48	56.4 Å²	56.4	29%	0.291	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.1	178.5	-175.7	0	0	0	0	108.1	G87 V162 I163	G87-V186 WeakPolarHBondContact O-CG2 3.41Å; V162-V186 CarbonylContact O-C 3.51Å; V162-V186 WeakPolarHBondContact O-CA 3.41Å; I163-V186 HydrophobicContact CG2-CG2 4.08Å
187	Q	91.6	Very high	88.7	Confident	11 Å²	11	56.7 Å²	56.7	5%	0.051	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148	172.2	-165.5	52.7	30.5	0	0	110.5	M45 L47 V162 Y164 M298	M45-Q187 HydrophobicContact CE-CB 4.03Å; M45-Q187 HydrophobicContact CE-CG 3.52Å; M45-Q187 HydrophobicContact SD-CG 3.95Å; L47-Q187 HydrophobicContact CD2-CB 3.94Å; L47-Q187 HydrophobicContact CD2-CG 4.3Å; V162-Q187 PolarHBondContact N-O 3.35Å; V162-Q187 PolarHBondContact O-N 2.78Å; Y164-Q187 HydrophobicContact CE1-CB 4.42Å; Q187-M298 PolarHBondContact NE2-SD 3.39Å
188	R	92.1	Very high	88	Confident	42 Å²	42	59.8 Å²	59.8	16%	0.158	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	138.3	-178.7	-69.3	168.7	-177	90.9	0.7	110.3	T159 V160 H161 S435 Y438	T159-R188 HydrophobicContact CG2-CB 4.02Å; T159-R188 HydrophobicContact CG2-CG 4.24Å; V160-R188 WeakPolarHBondContact O-CA 3.42Å; H161-R188 PolarHBondContact CD2-NE 2.89Å; H161-R188 PolarHBondContact NE2-NE 2.82Å; H161-R188 VanDerWaalsContact NE2-NE 3.16Å; R188-S435 WeakPolarHBondContact CD-OG 3.22Å; R188-S435 PolarHBondContact NE-OG 3.29Å; R188-Y438 HydrophobicContact CB-CD1 4.19Å; R188-Y438 HydrophobicContact CB-CD2 3.99Å; R188-Y438 HydrophobicContact CB-CG 3.68Å; R188-Y438 WeakPolarHBondContact O-CE2 3.46Å
189	V	92	Very high	87.5	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	148.9	-175.5	69.5	0	0	0	0	112.3	M45 W57 V160 V162 M191	M45-V189 HydrophobicContact CE-CB 3.67Å; M45-V189 HydrophobicContact CE-CG1 4.05Å; M45-V189 HydrophobicContact CE-CG2 4.04Å; M45-V189 HydrophobicContact SD-CB 3.79Å; M45-V189 HydrophobicContact SD-CG2 3.66Å; W57-V189 HydrophobicContact CH2-CG2 3.24Å; W57-V189 HydrophobicContact CZ2-CG2 3.5Å; W57-V189 HydrophobicContact CZ3-CG2 4.03Å; V160-V189 HydrophobicContact CB-CG1 4.27Å; V160-V189 PolarHBondContact N-O 3.1Å; V160-V189 PolarHBondContact O-N 2.81Å; V162-V189 HydrophobicContact CG2-CG1 3.87Å; V189-M191 HydrophobicContact CG1-CE 4.37Å; V189-M191 PolarHBondContact O-N 3.08Å
190	L	91.5	Very high	87.1	Confident	23 Å²	23	68.4 Å²	68.4	12%	0.12	37%	0.369	C	S	.	.			trans	-80.4	97.7	158.5	-55.7	-175.4	0	0	0	109.1	W57 G158 R193 Y438 R442	W57-L190 WeakPolarHBondContact CZ2-O 3.18Å; G158-L190 WeakPolarHBondContact O-CD2 3.36Å; L190-R193 HydrophobicContact CB-CG 4.16Å; L190-R193 WeakPolarHBondContact O-CG 3.37Å; L190-R193 PolarHBondContact O-NE 2.81Å; L190-Y438 HydrophobicContact CD2-CE1 3.77Å; L190-Y438 HydrophobicContact CG-CE1 3.78Å; L190-Y438 PolarHBondContact N-OH 3.38Å; L190-R442 HydrophobicContact CD1-CG 3.83Å; L190-R442 VanDerWaalsContact CD2-NE 3.29Å
191	M	92	Very high	86.9	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.005	35%	0.354	C	S	.	.			trans	-69.3	-45.7	178	-167.2	66.4	85.2	0	0	110.7	W57 I59 V66 I68 M83 I155 V160 V162 V189	W57-M191 HydrophobicContact CB-SD 4.41Å; W57-M191 HydrophobicContact CD2-SD 4.12Å; W57-M191 HydrophobicContact CG-SD 3.82Å; W57-M191 PolarHBondContact NE1-O 2.04Å; I59-M191 WeakPolarHBondContact CD1-O 3.38Å; V66-M191 HydrophobicContact CG1-CG 4.15Å; V66-M191 HydrophobicContact CG1-SD 3.89Å; V66-M191 HydrophobicContact CG2-CG 4.11Å; I68-M191 HydrophobicContact CD1-CE 4.42Å; M83-M191 HydrophobicContact CE-CE 3.66Å; I155-M191 HydrophobicContact CG2-CB 4.06Å; I155-M191 HydrophobicContact CG2-CG 4.06Å; V160-M191 HydrophobicContact CB-CB 4.21Å; V160-M191 HydrophobicContact CG2-CB 3.72Å; V162-M191 HydrophobicContact CG2-CE 4.38Å; V189-M191 HydrophobicContact CG1-CE 4.37Å; V189-M191 PolarHBondContact O-N 3.08Å
192	L	90.9	Very high	86.7	Confident	16 Å²	16	59.2 Å²	59.2	8%	0.084	33%	0.332	C	S	.	.	S	Bend	trans	-89.6	120.2	174	-56.4	-172.1	0	0	0	110.4	I59 V66 F145 I155	I59-L192 HydrophobicContact CG2-CD2 4.15Å; V66-L192 HydrophobicContact CG2-CD2 4.31Å; F145-L192 HydrophobicContact CD1-CD2 3.9Å; F145-L192 HydrophobicContact CD2-CD1 4.34Å; F145-L192 HydrophobicContact CD2-CD2 4.38Å; F145-L192 HydrophobicContact CE1-CD2 3.51Å; F145-L192 HydrophobicContact CE2-CD1 4.39Å; F145-L192 HydrophobicContact CE2-CD2 4.03Å; F145-L192 HydrophobicContact CG-CD2 4.33Å; F145-L192 HydrophobicContact CZ-CD2 3.59Å; I155-L192 HydrophobicContact CG2-CD1 4.2Å; I155-L192 HydrophobicContact CG2-CD2 3.88Å; I155-L192 HydrophobicContact CG2-CG 3.77Å
193	R	86.1	Confident	86.5	Confident	19 Å²	19	63.6 Å²	63.6	7%	0.072	36%	0.363	C	S	.	.			trans	-131	144.2	-177.8	-62.9	-176.1	-179.9	-162.7	0.6	111.4	F43 I59 Y61 L190 D195 G299	F43-R193 HydrophobicContact CE1-CB 4.36Å; F43-R193 HydrophobicContact CE2-CB 4.36Å; F43-R193 HydrophobicContact CZ-CB 3.94Å; F43-R193 HydrophobicContact CZ-CG 4.48Å; I59-R193 HydrophobicContact CD1-CB 4.05Å; I59-R193 VanDerWaalsContact CD1-N 3.3Å; Y61-R193 VanDerWaalsContact CE2-O 3.26Å; Y61-R193 WeakPolarHBondContact CE2-O 3.31Å; Y61-R193 VanDerWaalsContact OH-C 3.27Å; Y61-R193 PolarHBondContact OH-N 3.08Å; Y61-R193 PolarHBondContact OH-O 2.84Å; L190-R193 HydrophobicContact CB-CG 4.16Å; L190-R193 WeakPolarHBondContact O-CG 3.37Å; L190-R193 PolarHBondContact O-NE 2.81Å; R193-D195 PolarHBondContact O-N 3.43Å; R193-G299 VanDerWaalsContact CZ-O 3.24Å; R193-G299 PolarHBondContact NH1-O 3.08Å; R193-G299 PolarHBondContact NH2-O 3.19Å
194	P	80.8	Confident	86.6	Confident	46 Å²	46	58.3 Å²	58.3	30%	0.299	34%	0.339	S	S	.	.			trans	-53.6	125.1	173.3	-21.1	31.4	0	0	0	111	M196 K445	P194-M196 HydrophobicContact CB-CG 4.09Å; P194-M196 PolarHBondContact O-N 2.84Å; P194-K445 HydrophobicContact CG-CG 4.25Å
195	D	72.8	Confident	86.7	Confident	132 Å²	132	57.6 Å²	57.6	71%	0.706	34%	0.337	S	S	*	.			trans	-79.5	74.3	172.9	-173.5	19.3	0	0	0	109	Y61 R193	Y61-D195 HydrophobicContact CD2-CB 4.39Å; Y61-D195 HydrophobicContact CE2-CB 4.36Å; R193-D195 PolarHBondContact O-N 3.43Å
196	M	71.9	Confident	86.9	Confident	144 Å²	144	62.4 Å²	62.4	71%	0.709	35%	0.353	S	S	*	.			trans	-118	125.3	-179	-72	-72.1	-77.3	0	0	109	P194 S198	P194-M196 HydrophobicContact CB-CG 4.09Å; P194-M196 PolarHBondContact O-N 2.84Å; M196-S198 PolarHBondContact O-N 3.27Å
197	P	72.5	Confident	87	Confident	111 Å²	111	63.8 Å²	63.8	72%	0.721	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-64	136.3	178.4	26.3	-33	0	0	0	110	P199	P197-P199 VanDerWaalsContact O-CD 3.25Å; P197-P199 WeakPolarHBondContact O-CD 3.4Å
198	S	79.5	Confident	87.3	Confident	72 Å²	72	64.8 Å²	64.8	50%	0.503	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-57	118.3	174.4	-64.4	0	0	0	0	110.3	M196	M196-S198 PolarHBondContact O-N 3.27Å
199	P	84.9	Confident	87.5	Confident	66 Å²	66	65.4 Å²	65.4	43%	0.429	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-60.1	139.4	176.4	-22.2	32.4	0	0	0	111.3	P197 Y304	P197-P199 VanDerWaalsContact O-CD 3.25Å; P197-P199 WeakPolarHBondContact O-CD 3.4Å; P199-Y304 HydrophobicContact CB-CD1 4.26Å; P199-Y304 HydrophobicContact CG-CD1 4.13Å; P199-Y304 HydrophobicContact CG-CG 4.1Å; P199-Y304 WeakPolarHBondContact O-CE1 3.21Å
200	T	85.3	Confident	87.8	Confident	139 Å²	139	65.4 Å²	65.4	85%	0.853	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-73.3	131.2	171.5	-41.2	0	0	0	0	109.8
201	L	88.9	Confident	88.1	Confident	45 Å²	45	66.6 Å²	66.6	24%	0.236	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-80	140.2	176.5	-64.1	179.5	0	0	0	111	V205 V241 M242 Y304 H346	L201-V205 HydrophobicContact CB-CG2 4.31Å; L201-V205 HydrophobicContact CD1-CG1 4.44Å; L201-V241 HydrophobicContact CD2-CG2 4.16Å; L201-M242 HydrophobicContact CD1-CB 4.03Å; L201-M242 HydrophobicContact CD1-CE 3.65Å; L201-M242 HydrophobicContact CD1-CG 4.24Å; L201-M242 HydrophobicContact CD2-CB 3.96Å; L201-Y304 HydrophobicContact CD2-CD1 4.32Å; L201-Y304 HydrophobicContact CD2-CE1 4.43Å; L201-Y304 HydrophobicContact CG-CE1 4.48Å; L201-H346 HydrophobicContact CD1-CB 4.23Å
202	P	87.4	Confident	88.3	Confident	54 Å²	54	66.6 Å²	66.6	35%	0.351	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-59.2	148.4	172.2	-24.1	34	0	0	0	112.4	E204 V205	P202-E204 HydrophobicContact CB-CG 4.45Å; P202-E204 WeakPolarHBondContact CB-OE1 3.35Å; P202-E204 WeakPolarHBondContact CB-OE2 3.26Å; P202-E204 PolarHBondContact O-N 3.42Å; P202-V205 HydrophobicContact CB-CG2 4.3Å; P202-V205 HydrophobicContact CG-CG2 4.45Å; P202-V205 WeakPolarHBondContact O-CB 3.38Å; P202-V205 VanDerWaalsContact O-CG2 3.28Å; P202-V205 WeakPolarHBondContact O-CG2 3.24Å; P202-V205 PolarHBondContact O-N 2.84Å
203	P	87.9	Confident	88.5	Confident	133 Å²	133	68.8 Å²	68.8	86%	0.864	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.3	-175.4	26.8	-35.3	0	0	0	114.4	V205	P203-V205 VanDerWaalsContact C-N 3.3Å
204	E	91.3	Very high	88.9	Confident	66 Å²	66	72.5 Å²	72.5	31%	0.308	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-5.7	178.5	71.9	-89.3	-158.3	0	0	114.7	P202 K206 N350	P202-E204 HydrophobicContact CB-CG 4.45Å; P202-E204 WeakPolarHBondContact CB-OE1 3.35Å; P202-E204 WeakPolarHBondContact CB-OE2 3.26Å; P202-E204 PolarHBondContact O-N 3.42Å; E204-K206 PolarHBondContact O-N 2.63Å; E204-N350 WeakPolarHBondContact CG-ND2 3.34Å; E204-N350 PolarHBondContact OE1-ND2 2.91Å
205	V	95.5	Very high	89.6	Confident	26 Å²	26	70.7 Å²	70.7	16%	0.158	41%	0.405	C	S	.	.			trans	-63.9	130.1	179.8	173.1	0	0	0	0	109.6	L201 P202 P203 V241 H346	L201-V205 HydrophobicContact CB-CG2 4.31Å; L201-V205 HydrophobicContact CD1-CG1 4.44Å; P202-V205 HydrophobicContact CB-CG2 4.3Å; P202-V205 HydrophobicContact CG-CG2 4.45Å; P202-V205 WeakPolarHBondContact O-CB 3.38Å; P202-V205 VanDerWaalsContact O-CG2 3.28Å; P202-V205 WeakPolarHBondContact O-CG2 3.24Å; P202-V205 PolarHBondContact O-N 2.84Å; P203-V205 VanDerWaalsContact C-N 3.3Å; V205-V241 HydrophobicContact CG1-CG2 4.26Å; V205-V241 HydrophobicContact CG2-CG2 4.04Å; V205-H346 HydrophobicContact CG1-CB 3.7Å
206	K	96	Very high	90.7	Very high	116 Å²	116	69.1 Å²	69.1	50%	0.504	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	158.6	176.6	-64.9	-179.1	-179.3	179.4	0	110	E204 H346 Y347	E204-K206 PolarHBondContact O-N 2.63Å; K206-H346 CarbonylContact O-C 3.52Å; K206-H346 WeakPolarHBondContact O-CA 3.33Å; K206-Y347 HydrophobicContact CB-CD1 4.46Å; K206-Y347 HydrophobicContact CB-CD2 4.44Å; K206-Y347 HydrophobicContact CB-CE1 3.92Å; K206-Y347 HydrophobicContact CB-CE2 3.94Å; K206-Y347 HydrophobicContact CD-CE2 4.25Å; K206-Y347 PolarHBondContact N-O 3.08Å; K206-Y347 WeakPolarHBondContact O-CD1 3.13Å; K206-Y347 PolarHBondContact O-N 3.22Å
207	T	96.9	Very high	91.8	Very high	77 Å²	77	62.3 Å²	62.3	47%	0.472	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	150.6	177.3	59.4	0	0	0	0	111.8	R344 L345	T207-R344 HydrophobicContact CG2-CG 4.28Å; T207-L345 CarbonylContact C-O 3.57Å; T207-L345 VanDerWaalsContact CA-O 3.3Å; T207-L345 WeakPolarHBondContact CA-O 3.44Å
208	M	96.3	Very high	92.8	Very high	32 Å²	32	58.4 Å²	58.4	16%	0.158	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	126.7	169	176.4	179.4	73.6	0	0	108.8	V210 L231 I313 L322 L345 Y347	M208-V210 HydrophobicContact CE-CG2 4.29Å; M208-L231 HydrophobicContact CE-CD2 3.48Å; M208-L231 VanDerWaalsContact CE-CD2 3.48Å; M208-L231 HydrophobicContact SD-CD2 3.67Å; M208-I313 HydrophobicContact CE-CD1 4.06Å; M208-L322 HydrophobicContact CE-CD1 4.25Å; M208-L345 HydrophobicContact CE-CD1 3.69Å; M208-L345 PolarHBondContact N-O 3.49Å; M208-L345 PolarHBondContact O-N 3.31Å; M208-Y347 HydrophobicContact CB-CD1 4.27Å; M208-Y347 HydrophobicContact CB-CE1 3.72Å
209	D	97.4	Very high	93.4	Very high	56 Å²	56	59 Å²	59	30%	0.299	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.9	-178.6	-64	-4.4	0	0	0	109.7	L211 R344	D209-L211 HydrophobicContact CB-CD1 3.95Å; D209-L211 HydrophobicContact CB-CD2 4.08Å; D209-L211 HydrophobicContact CB-CG 3.78Å; D209-R344 WeakPolarHBondContact OD1-CB 3.06Å; D209-R344 VanDerWaalsContact OD1-CG 3.25Å; D209-R344 WeakPolarHBondContact OD1-CG 3.33Å; D209-R344 IonicContact OD1-CZ 3.82Å; D209-R344 IonicContact OD1-NE 3.17Å; D209-R344 PolarHBondContact OD1-NE 2.93Å; D209-R344 IonicContact OD1-NH2 2.62Å; D209-R344 IonicContact OD2-CZ 3.05Å; D209-R344 IonicContact OD2-NE 2.82Å; D209-R344 IonicContact OD2-NH2 2.69Å; D209-R344 PolarHBondContact OD2-NH2 2.05Å
210	V	97.4	Very high	93.7	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	91.8	173.7	-175.2	0	0	0	0	106.6	M208 Q229 V260 L322 L324 G342 I343 L345	M208-V210 HydrophobicContact CE-CG2 4.29Å; V210-Q229 HydrophobicContact CG1-CB 4.02Å; V210-Q229 HydrophobicContact CG1-CG 4.3Å; V210-V260 HydrophobicContact CB-CG2 4.3Å; V210-V260 HydrophobicContact CG1-CG1 4.34Å; V210-V260 HydrophobicContact CG1-CG2 4.14Å; V210-L322 HydrophobicContact CG2-CD1 3.95Å; V210-L324 HydrophobicContact CG1-CB 4.06Å; V210-L324 HydrophobicContact CG1-CD1 4.32Å; V210-G342 VanDerWaalsContact O-CA 3.29Å; V210-G342 WeakPolarHBondContact O-CA 3.41Å; V210-I343 PolarHBondContact N-O 3.47Å; V210-I343 PolarHBondContact O-N 3.18Å; V210-L345 HydrophobicContact CG2-CD1 4.15Å; V210-L345 HydrophobicContact CG2-CG 4.48Å
211	L	97.6	Very high	93.7	Very high	47 Å²	47	60.4 Å²	60.4	25%	0.246	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	149.8	-169.2	-53.5	-178.9	0	0	0	112	D209 F227 V246	D209-L211 HydrophobicContact CB-CD1 3.95Å; D209-L211 HydrophobicContact CB-CD2 4.08Å; D209-L211 HydrophobicContact CB-CG 3.78Å; L211-F227 WeakPolarHBondContact O-CD1 3.46Å; L211-F227 VanDerWaalsContact O-CE1 3.31Å; L211-F227 WeakPolarHBondContact O-CE1 3.02Å; L211-V246 HydrophobicContact CD2-CB 3.8Å; L211-V246 HydrophobicContact CD2-CG1 3.95Å; L211-V246 HydrophobicContact CD2-CG2 4.41Å
212	A	96.6	Very high	93.7	Very high	2 Å²	2	60.9 Å²	60.9	2%	0.017	33%	0.33	C	S	.	.			trans	-64.5	144.1	168.7	0	0	0	0	0	110.6	N214 V215 L324 S340 S341	A212-N214 PolarHBondContact O-N 3.15Å; A212-V215 HydrophobicContact CB-CG1 4.17Å; A212-V215 HydrophobicContact CB-CG2 4.25Å; A212-L324 HydrophobicContact CB-CD2 4.19Å; A212-S340 WeakPolarHBondContact O-CA 3.44Å; A212-S341 PolarHBondContact N-O 2.96Å
213	P	94.9	Very high	93.9	Very high	62 Å²	62	58.8 Å²	58.8	40%	0.403	32%	0.316	S	S	.	.			trans	-84.3	75.3	-174.5	34.1	-37.5	0	0	0	112.4	V215 F227 S274	P213-V215 VanDerWaalsContact C-N 3.28Å; P213-V215 HydrophobicContact CG-CG1 4.03Å; P213-V215 PolarHBondContact O-N 3.29Å; P213-F227 HydrophobicContact CB-CE2 4.28Å; P213-F227 HydrophobicContact CB-CZ 4.48Å; P213-F227 HydrophobicContact CG-CD2 3.72Å; P213-F227 HydrophobicContact CG-CE2 3.78Å; P213-F227 HydrophobicContact CG-CG 4.25Å; P213-F227 HydrophobicContact CG-CZ 4.36Å; P213-S274 WeakPolarHBondContact CG-OG 3.39Å
214	N	95.6	Very high	94	Very high	97 Å²	97	54.1 Å²	54.1	52%	0.519	28%	0.281	S	S	.	.	S	Bend	trans	42.2	52.4	178	-169.6	33.7	0	0	0	113.8	A212 H338 D339 S340	A212-N214 PolarHBondContact O-N 3.15Å; N214-H338 WeakPolarHBondContact OD1-CB 3.22Å; N214-H338 PolarHBondContact OD1-ND1 3.04Å; N214-D339 CarbonylContact C-O 3.58Å; N214-D339 WeakPolarHBondContact CA-O 3.35Å; N214-D339 PolarHBondContact N-O 3.48Å; N214-S340 VanDerWaalsContact CA-OG 3.24Å; N214-S340 WeakPolarHBondContact CA-OG 3.29Å; N214-S340 PolarHBondContact N-OG 2.85Å
215	V	95.4	Very high	94.2	Very high	8 Å²	8	53 Å²	53	5%	0.048	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	149.5	-172.8	-56.2	0	0	0	0	110.2	A212 P213 W225 Y328 H338 D339	A212-V215 HydrophobicContact CB-CG1 4.17Å; A212-V215 HydrophobicContact CB-CG2 4.25Å; P213-V215 VanDerWaalsContact C-N 3.28Å; P213-V215 HydrophobicContact CG-CG1 4.03Å; P213-V215 PolarHBondContact O-N 3.29Å; V215-W225 HydrophobicContact CB-CZ2 4.16Å; V215-W225 HydrophobicContact CG1-CZ2 3.87Å; V215-Y328 HydrophobicContact CG2-CE2 4.35Å; V215-Y328 VanDerWaalsContact CG2-OH 3.28Å; V215-Y328 WeakPolarHBondContact CG2-OH 3.37Å; V215-H338 CarbonylContact O-C 3.6Å; V215-H338 VanDerWaalsContact O-CA 3.31Å; V215-H338 WeakPolarHBondContact O-CA 3.49Å; V215-D339 HydrophobicContact CG2-CB 4.1Å; V215-D339 PolarHBondContact N-O 2.77Å; V215-D339 PolarHBondContact O-N 3.2Å
216	I	96.3	Very high	94.2	Very high	98 Å²	98	51.8 Å²	51.8	50%	0.503	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	117.3	168.4	-61.8	170.9	0	0	0	106.6	P218 R337 H338	I216-P218 WeakPolarHBondContact O-CD 3.43Å; I216-R337 WeakPolarHBondContact CA-O 3.12Å; I216-H338 VanDerWaalsContact CG1-CE1 3.49Å; I216-H338 WeakPolarHBondContact CG1-CE1 3.25Å
217	I	94.5	Very high	94.2	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-60.8	124.2	177.9	-54.5	179.4	0	0	0	108	I254 Y328 R337 D339	I217-I254 HydrophobicContact CD1-CG2 3.97Å; I217-I254 HydrophobicContact CG2-CG2 4.41Å; I217-Y328 HydrophobicContact CD1-CD1 3.87Å; I217-Y328 HydrophobicContact CD1-CE1 3.94Å; I217-Y328 HydrophobicContact CG1-CD1 4.08Å; I217-Y328 HydrophobicContact CG1-CE1 3.97Å; I217-Y328 HydrophobicContact CG1-CG 4.48Å; I217-Y328 HydrophobicContact CG2-CD1 4.16Å; I217-Y328 HydrophobicContact CG2-CD2 4.27Å; I217-Y328 HydrophobicContact CG2-CG 3.86Å; I217-R337 HydrophobicContact CD1-CB 4.11Å; I217-R337 HydrophobicContact CG1-CB 4.45Å; I217-R337 PolarHBondContact N-O 2.79Å; I217-D339 HydrophobicContact CD1-CB 3.97Å; I217-D339 HydrophobicContact CG1-CB 3.82Å
218	P	93.6	Very high	94.1	Very high	28 Å²	28	43.7 Å²	43.7	18%	0.182	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-60.4	148.5	178.9	-28.9	39.7	0	0	0	112.8	I216 Q220 T223 W225	I216-P218 WeakPolarHBondContact O-CD 3.43Å; P218-Q220 PolarHBondContact O-N 3.41Å; P218-T223 HydrophobicContact CB-CG2 4.44Å; P218-T223 HydrophobicContact CG-CG2 3.77Å; P218-W225 HydrophobicContact CG-CE3 4.32Å; P218-W225 HydrophobicContact CG-CZ3 4.09Å
219	N	92.4	Very high	94	Very high	84 Å²	84	45.1 Å²	45.1	45%	0.449	23%	0.232	S	C	.	.	S	Bend	trans	-80.1	64.8	172.8	-173.6	5.7	0	0	0	110.8	L333 S335	N219-L333 VanDerWaalsContact OD1-C 3.25Å; N219-L333 VanDerWaalsContact OD1-CA 3.23Å; N219-L333 WeakPolarHBondContact OD1-CA 3.23Å; N219-L333 WeakPolarHBondContact OD1-CB 3.18Å; N219-L333 PolarHBondContact OD1-O 2.91Å; N219-S335 VanDerWaalsContact CG-OG 3.32Å; N219-S335 PolarHBondContact ND2-OG 2.91Å
220	Q	90.4	Very high	93.8	Very high	119 Å²	119	46.4 Å²	46.4	56%	0.556	24%	0.235	S	C	*	.	S	Bend	trans	-138.6	149.9	176.3	-67.7	179.5	89.5	0	0	107.9	P218 T222	P218-Q220 PolarHBondContact O-N 3.41Å; Q220-T222 VanDerWaalsContact C-N 3.29Å; Q220-T222 PolarHBondContact O-N 3.16Å
221	E	86.4	Confident	93.6	Very high	117 Å²	117	46.7 Å²	46.7	55%	0.547	24%	0.236	S	C	.	.	S	Bend	trans	-60	-40	-178.7	-178	176.2	175.7	0	0	112.6	H329 N330	E221-H329 CarbonylContact O-C 3.53Å; E221-H329 WeakPolarHBondContact O-CA 3.27Å; E221-H329 PolarHBondContact O-ND1 2.85Å; E221-H329 IonicContact OE1-CE1 3.57Å; E221-N330 PolarHBondContact O-N 3.48Å
222	T	87.9	Confident	93.3	Very high	55 Å²	55	48.1 Å²	48.1	34%	0.337	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	130	-177.1	-60.2	0	0	0	0	108.3	Q220 Y224 H327 Y328	Q220-T222 VanDerWaalsContact C-N 3.29Å; Q220-T222 PolarHBondContact O-N 3.16Å; T222-Y224 HydrophobicContact CG2-CD2 4.3Å; T222-Y224 HydrophobicContact CG2-CE2 3.65Å; T222-H327 WeakPolarHBondContact CG2-NE2 3.28Å; T222-Y328 WeakPolarHBondContact CA-O 3.49Å
223	T	90.9	Very high	92.8	Very high	10 Å²	10	53 Å²	53	6%	0.061	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	125.8	175.3	-64.8	0	0	0	0	110.7	P218 W225 H327 Y328	P218-T223 HydrophobicContact CB-CG2 4.44Å; P218-T223 HydrophobicContact CG-CG2 3.77Å; T223-W225 HydrophobicContact CG2-CE3 4.42Å; T223-H327 WeakPolarHBondContact O-CA 3.45Å; T223-H327 PolarHBondContact O-CD2 2.64Å; T223-Y328 HydrophobicContact CG2-CD2 4.43Å; T223-Y328 PolarHBondContact N-O 3.37Å; T223-Y328 PolarHBondContact O-N 3.4Å
224	Y	90.9	Very high	92.3	Very high	34 Å²	34	57.4 Å²	57.4	13%	0.133	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	118	167.6	-64.9	-95.7	0	0	0	109.2	T222 H257 S276 C277 H327	T222-Y224 HydrophobicContact CG2-CD2 4.3Å; T222-Y224 HydrophobicContact CG2-CE2 3.65Å; Y224-H257 AromaticContact CE1-CE1 3.66Å; Y224-H257 AromaticContact CE1-NE2 3.52Å; Y224-S276 CarbonylContact O-C 3.59Å; Y224-S276 WeakPolarHBondContact O-CA 3.37Å; Y224-C277 PolarHBondContact O-N 3.12Å; Y224-H327 HydrophobicContact CD1-CB 3.89Å; Y224-H327 HydrophobicContact CE1-CB 3.8Å; Y224-H327 AromaticContact CE1-CD2 3.72Å; Y224-H327 AromaticContact CE1-CG 3.63Å; Y224-H327 AromaticContact CE2-CD2 3.69Å; Y224-H327 AromaticContact CZ-CD2 3.53Å; Y224-H327 AromaticContact CZ-CG 3.8Å; Y224-H327 AromaticContact CZ-NE2 3.89Å
225	W	94.7	Very high	92.2	Very high	43 Å²	43	53.9 Å²	53.9	16%	0.163	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.8	-177.1	-167.5	-81.1	0	0	0	111.5	V215 P218 T223 S274 E325 V326 Y328	V215-W225 HydrophobicContact CB-CZ2 4.16Å; V215-W225 HydrophobicContact CG1-CZ2 3.87Å; P218-W225 HydrophobicContact CG-CE3 4.32Å; P218-W225 HydrophobicContact CG-CZ3 4.09Å; T223-W225 HydrophobicContact CG2-CE3 4.42Å; W225-S274 PolarHBondContact NE1-OG 2.79Å; W225-S274 VanDerWaalsContact NE1-OG 3.09Å; W225-E325 CarbonylContact O-C 3.53Å; W225-E325 VanDerWaalsContact O-CA 3.29Å; W225-E325 WeakPolarHBondContact O-CA 3.09Å; W225-V326 PolarHBondContact N-O 3.19Å; W225-V326 PolarHBondContact O-N 3.32Å; W225-Y328 HydrophobicContact CB-CD2 4.3Å; W225-Y328 HydrophobicContact CB-CE2 3.75Å; W225-Y328 HydrophobicContact CG-CE2 4.38Å
226	C	95.2	Very high	92.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	132.3	-178.4	-83.3	0	0	0	0	110.7	Y273 S274 G275 C277 L324	C226-Y273 HydrophobicContact CB-CD1 4.01Å; C226-Y273 HydrophobicContact CB-CE1 3.88Å; C226-Y273 WeakPolarHBondContact O-CD1 3.41Å; C226-S274 VanDerWaalsContact O-CA 3.28Å; C226-S274 WeakPolarHBondContact O-CA 3.29Å; C226-G275 PolarHBondContact N-O 3.04Å; C226-G275 PolarHBondContact O-N 2.65Å; C226-C277 WeakPolarHBondContact CA-SG 3.42Å; C226-C277 HydrophobicContact CB-CB 4.11Å; C226-C277 WeakPolarHBondContact CB-SG 3.48Å; C226-C277 PolarHBondContact N-SG 2.87Å; C226-C277 VanDerWaalsContact SG-CA 3.56Å; C226-C277 WeakPolarHBondContact SG-CB 3.2Å; C226-C277 CovalentContact SG-SG 2.04Å; C226-C277 PolarHBondContact SG-SG 2.81Å; C226-L324 CarbonylContact C-O 3.51Å; C226-L324 VanDerWaalsContact CA-O 3.29Å; C226-L324 WeakPolarHBondContact CA-O 3.5Å
227	F	96.1	Very high	92.1	Very high	24 Å²	24	56.5 Å²	56.5	11%	0.105	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	140.7	175.2	172.1	-115.3	0	0	0	111.6	L211 P213 Q229 Y273 R323 L324	L211-F227 WeakPolarHBondContact O-CD1 3.46Å; L211-F227 VanDerWaalsContact O-CE1 3.31Å; L211-F227 WeakPolarHBondContact O-CE1 3.02Å; P213-F227 HydrophobicContact CB-CE2 4.28Å; P213-F227 HydrophobicContact CB-CZ 4.48Å; P213-F227 HydrophobicContact CG-CD2 3.72Å; P213-F227 HydrophobicContact CG-CE2 3.78Å; P213-F227 HydrophobicContact CG-CG 4.25Å; P213-F227 HydrophobicContact CG-CZ 4.36Å; F227-Q229 HydrophobicContact CE1-CB 4.1Å; F227-Y273 CarbonylContact C-O 3.48Å; F227-Y273 VanDerWaalsContact CA-O 3.3Å; F227-Y273 WeakPolarHBondContact CA-O 3.35Å; F227-Y273 WeakPolarHBondContact CD2-O 3.3Å; F227-R323 CarbonylContact O-C 3.59Å; F227-R323 WeakPolarHBondContact O-CA 3.34Å; F227-L324 HydrophobicContact CB-CB 4.3Å; F227-L324 HydrophobicContact CD1-CB 4.44Å; F227-L324 HydrophobicContact CD1-CD2 4.35Å; F227-L324 PolarHBondContact N-O 2.75Å; F227-L324 PolarHBondContact O-N 2.98Å
228	I	95.8	Very high	92.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	109.7	179.1	-59.9	-65.9	0	0	0	111.1	V270 Q272 Y273 L286 F321 L322 R323	I228-V270 HydrophobicContact CD1-CG1 4.24Å; I228-V270 HydrophobicContact CG1-CG1 4.43Å; I228-V270 HydrophobicContact CG2-CG1 4.1Å; I228-Q272 PolarHBondContact O-OE1 3.05Å; I228-Y273 PolarHBondContact N-O 2.76Å; I228-L286 HydrophobicContact CD1-CD1 4.42Å; I228-L286 HydrophobicContact CD1-CD2 3.8Å; I228-L286 HydrophobicContact CD1-CG 3.78Å; I228-L286 HydrophobicContact CG1-CD2 3.93Å; I228-L286 HydrophobicContact CG1-CG 4.23Å; I228-F321 HydrophobicContact CG2-CD1 4.48Å; I228-L322 CarbonylContact C-O 3.54Å; I228-L322 WeakPolarHBondContact CA-O 3.2Å; I228-R323 HydrophobicContact CD1-CB 3.75Å; I228-R323 HydrophobicContact CD1-CG 3.79Å
229	Q	94.3	Very high	92.3	Very high	61 Å²	61	55.5 Å²	55.5	29%	0.285	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	136.7	173.6	179.8	60.8	50	0	0	110.4	V210 F227 L322	V210-Q229 HydrophobicContact CG1-CB 4.02Å; V210-Q229 HydrophobicContact CG1-CG 4.3Å; F227-Q229 HydrophobicContact CE1-CB 4.1Å; Q229-L322 HydrophobicContact CB-CB 4.37Å; Q229-L322 PolarHBondContact N-O 3.38Å; Q229-L322 PolarHBondContact O-N 2.86Å
230	K	93.7	Very high	92.5	Very high	84 Å²	84	51.5 Å²	51.5	37%	0.365	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	134.1	173.7	-163	-172.7	-177.3	-156.7	0	110.1	D233 R320 F321	K230-D233 IonicContact NZ-OD1 3.53Å; K230-D233 PolarHBondContact NZ-OD1 2.84Å; K230-R320 CarbonylContact C-O 3.55Å; K230-R320 WeakPolarHBondContact CA-O 3.34Å; K230-F321 HydrophobicContact CD-CE1 4.27Å; K230-F321 HydrophobicContact CG-CD1 4.2Å; K230-F321 HydrophobicContact CG-CE1 4.03Å
231	L	93	Very high	92.8	Very high	5 Å²	5	46 Å²	46	3%	0.026	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-71.7	155.5	170.6	-61.7	-176.2	0	0	0	111.1	M208 M235 I313 R320 L322	M208-L231 HydrophobicContact CE-CD2 3.48Å; M208-L231 VanDerWaalsContact CE-CD2 3.48Å; M208-L231 HydrophobicContact SD-CD2 3.67Å; L231-M235 HydrophobicContact CB-SD 4.44Å; L231-M235 HydrophobicContact CD1-SD 4.23Å; L231-M235 HydrophobicContact CD2-SD 4.38Å; L231-I313 HydrophobicContact CD1-CD1 3.9Å; L231-I313 HydrophobicContact CD1-CG1 3.74Å; L231-I313 HydrophobicContact CD2-CD1 4.12Å; L231-R320 HydrophobicContact CB-CB 4.46Å; L231-R320 PolarHBondContact N-O 3.06Å; L231-R320 PolarHBondContact O-NH2 3.38Å; L231-L322 HydrophobicContact CD2-CD1 3.79Å; L231-L322 HydrophobicContact CD2-CG 4.14Å; L231-L322 HydrophobicContact CG-CG 4.36Å
232	P	91.5	Very high	93.2	Very high	78 Å²	78	40.8 Å²	40.8	51%	0.506	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-52.2	150.1	173.1	-25.6	34.7	0	0	0	113.3	D234 M235 R320	P232-D234 PolarHBondContact O-N 2.91Å; P232-M235 HydrophobicContact CB-CB 4.41Å; P232-R320 PolarHBondContact O-NE 3.43Å; P232-R320 PolarHBondContact O-NH2 2.9Å
233	D	84.5	Confident	93.6	Very high	104 Å²	104	38.4 Å²	38.4	56%	0.556	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-41.5	-174.5	-70	-52.1	0	0	0	114.2	K230 R320	K230-D233 IonicContact NZ-OD1 3.53Å; K230-D233 PolarHBondContact NZ-OD1 2.84Å; D233-R320 IonicContact OD1-CZ 3.76Å; D233-R320 IonicContact OD1-NH1 2.71Å; D233-R320 PolarHBondContact OD1-NH1 3.12Å; D233-R320 IonicContact OD1-NH2 2.94Å; D233-R320 PolarHBondContact OD1-NH2 3.36Å
234	D	85.3	Confident	93.8	Very high	155 Å²	155	40.8 Å²	40.8	83%	0.829	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.1	34.3	-174.6	-56.9	-51.4	0	0	0	112.5	P232 P236	P232-D234 PolarHBondContact O-N 2.91Å; D234-P236 WeakPolarHBondContact O-CD 3.49Å; D234-P236 VanDerWaalsContact O-N 3.15Å
235	M	92.4	Very high	94	Very high	22 Å²	22	40.9 Å²	40.9	11%	0.108	21%	0.213	C	C	.	.			trans	-64.8	114.5	178.1	-170.8	174.9	-173	0	0	109.8	L231 P232 I313 G315 Y347	L231-M235 HydrophobicContact CB-SD 4.44Å; L231-M235 HydrophobicContact CD1-SD 4.23Å; L231-M235 HydrophobicContact CD2-SD 4.38Å; P232-M235 HydrophobicContact CB-CB 4.41Å; M235-I313 HydrophobicContact CE-CG2 4.03Å; M235-G315 PolarHBondContact O-N 2.88Å; M235-Y347 HydrophobicContact CE-CD2 4.02Å; M235-Y347 HydrophobicContact CE-CE2 3.83Å; M235-Y347 HydrophobicContact CE-CG 4.42Å
236	P	94.4	Very high	94.1	Very high	81 Å²	81	40.4 Å²	40.4	53%	0.526	22%	0.215	S	C	.	.			trans	-67.6	171.2	176.8	29.9	-34.5	0	0	0	110.4	D234 N238	D234-P236 WeakPolarHBondContact O-CD 3.49Å; D234-P236 VanDerWaalsContact O-N 3.15Å; P236-N238 PolarHBondContact O-N 2.81Å; P236-N238 PolarHBondContact O-ND2 2.83Å
237	K	95.6	Very high	94.2	Very high	80 Å²	80	42 Å²	42	35%	0.348	22%	0.223	S	C	.	.			trans	-61.4	125.3	171.6	-174.4	-179.7	179	-176.9	0	109	L351 D355	K237-L351 HydrophobicContact CD-CD1 4.08Å; K237-L351 HydrophobicContact CG-CD1 4.46Å; K237-L351 HydrophobicContact CG-CD2 4.4Å; K237-D355 WeakPolarHBondContact CE-OD1 3.45Å; K237-D355 IonicContact NZ-OD1 2.73Å; K237-D355 PolarHBondContact NZ-OD1 3.36Å; K237-D355 IonicContact NZ-OD2 3.57Å; K237-D355 PolarHBondContact NZ-OD2 2.86Å
238	N	96	Very high	94.2	Very high	9 Å²	9	42.4 Å²	42.4	5%	0.048	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	165.4	173.7	-68.2	-86.9	0	0	0	109.5	P236 A312 I313 Y347 T348 H349	P236-N238 PolarHBondContact O-N 2.81Å; P236-N238 PolarHBondContact O-ND2 2.83Å; N238-A312 WeakPolarHBondContact O-CA 3.21Å; N238-I313 HydrophobicContact CB-CG2 4.03Å; N238-I313 PolarHBondContact N-O 3.05Å; N238-I313 PolarHBondContact O-N 3.2Å; N238-Y347 HydrophobicContact CB-CD2 3.75Å; N238-Y347 HydrophobicContact CB-CG 4.49Å; N238-T348 CarbonylContact C-O 3.35Å; N238-T348 VanDerWaalsContact CA-O 3.31Å; N238-T348 WeakPolarHBondContact CA-O 3.41Å; N238-T348 WeakPolarHBondContact CB-O 3.19Å; N238-T348 PolarHBondContact OD1-O 3.44Å; N238-H349 WeakPolarHBondContact OD1-CA 3.46Å; N238-H349 PolarHBondContact OD1-N 3.27Å
239	H	96.8	Very high	94	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123	167.5	-82.6	-175.8	0	0	0	110.1	V241 L311 Y347 T348 L351 R352 Y354 D355	H239-V241 HydrophobicContact CB-CG1 4.27Å; H239-V241 PolarHBondContact O-N 3.3Å; H239-L311 CarbonylContact C-O 3.59Å; H239-L311 WeakPolarHBondContact CA-O 3.45Å; H239-Y347 CarbonylContact O-C 3.59Å; H239-Y347 WeakPolarHBondContact O-CA 3.33Å; H239-Y347 WeakPolarHBondContact O-CB 3.34Å; H239-T348 HydrophobicContact CB-CG2 4.38Å; H239-T348 PolarHBondContact N-O 2.86Å; H239-T348 PolarHBondContact O-N 3.13Å; H239-L351 HydrophobicContact CB-CD2 4.45Å; H239-R352 PolarHBondContact CE1-N 2.93Å; H239-R352 PolarHBondContact CE1-O 2.96Å; H239-R352 PolarHBondContact ND1-N 2.81Å; H239-Y354 PolarHBondContact CE1-O 3.16Å; H239-D355 IonicContact CD2-OD1 2.82Å; H239-D355 IonicContact CE1-OD1 3.53Å; H239-D355 IonicContact NE2-OD1 3.64Å; H239-D355 PolarHBondContact NE2-OD1 2.98Å
240	I	96.8	Very high	93.8	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	125.4	159.3	-55.3	167.2	0	0	0	106.8	Y305 G310 L311 I313 L345 H346	I240-Y305 HydrophobicContact CG2-CE2 4.23Å; I240-G310 CarbonylContact O-C 3.52Å; I240-G310 WeakPolarHBondContact O-CA 3.5Å; I240-L311 HydrophobicContact CB-CB 4.3Å; I240-L311 HydrophobicContact CD1-CD2 4.49Å; I240-L311 PolarHBondContact N-O 2.92Å; I240-L311 PolarHBondContact O-N 3.15Å; I240-I313 HydrophobicContact CD1-CB 4.09Å; I240-I313 HydrophobicContact CD1-CD1 4.04Å; I240-I313 HydrophobicContact CD1-CG2 4.15Å; I240-I313 HydrophobicContact CG1-CB 4.19Å; I240-I313 HydrophobicContact CG1-CG2 3.72Å; I240-L345 HydrophobicContact CD1-CD1 4.05Å; I240-L345 HydrophobicContact CD1-CD2 4.48Å; I240-L345 HydrophobicContact CG2-CD2 4.47Å; I240-H346 WeakPolarHBondContact CA-O 3.3Å
241	V	96.3	Very high	93.7	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	-17.7	-176.9	-68	0	0	0	0	112.7	L201 V205 H239 Y305 H346 T348 R352	L201-V241 HydrophobicContact CD2-CG2 4.16Å; V205-V241 HydrophobicContact CG1-CG2 4.26Å; V205-V241 HydrophobicContact CG2-CG2 4.04Å; H239-V241 HydrophobicContact CB-CG1 4.27Å; H239-V241 PolarHBondContact O-N 3.3Å; V241-Y305 PolarHBondContact O-N 3.32Å; V241-H346 WeakPolarHBondContact CG2-O 3.36Å; V241-H346 PolarHBondContact N-O 3.45Å; V241-T348 HydrophobicContact CG1-CG2 3.83Å; V241-R352 VanDerWaalsContact CG1-CZ 3.49Å
242	M	95.6	Very high	93.5	Very high	8 Å²	8	46.9 Å²	46.9	4%	0.039	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	153	175.6	-179.5	-79.6	-100.6	0	0	109.4	L201 E244 A302 F303 Y304 H346	L201-M242 HydrophobicContact CD1-CB 4.03Å; L201-M242 HydrophobicContact CD1-CE 3.65Å; L201-M242 HydrophobicContact CD1-CG 4.24Å; L201-M242 HydrophobicContact CD2-CB 3.96Å; M242-E244 HydrophobicContact CE-CG 4.49Å; M242-E244 HydrophobicContact SD-CB 4.11Å; M242-E244 HydrophobicContact SD-CG 4.33Å; M242-A302 HydrophobicContact CE-CB 4.42Å; M242-A302 HydrophobicContact CG-CB 4.34Å; M242-A302 HydrophobicContact SD-CB 3.92Å; M242-F303 CarbonylContact C-O 3.59Å; M242-F303 WeakPolarHBondContact CA-O 3.4Å; M242-F303 VanDerWaalsContact CG-O 3.32Å; M242-F303 WeakPolarHBondContact CG-O 3.38Å; M242-Y304 HydrophobicContact CB-CD1 4.07Å; M242-Y304 HydrophobicContact CB-CE1 4.41Å; M242-Y304 HydrophobicContact CG-CD1 3.63Å; M242-Y304 HydrophobicContact CG-CE1 3.63Å; M242-Y304 HydrophobicContact CG-CG 4.13Å; M242-H346 HydrophobicContact CB-CB 3.96Å; M242-H346 HydrophobicContact CE-CB 4.48Å; M242-H346 WeakPolarHBondContact CE-CD2 3.28Å; M242-H346 VanDerWaalsContact CE-CE1 3.47Å; M242-H346 WeakPolarHBondContact CE-CE1 3.49Å; M242-H346 WeakPolarHBondContact CE-NE2 3.4Å; M242-H346 PolarHBondContact N-O 2.8Å; M242-H346 WeakPolarHBondContact O-CB 3.42Å; M242-H346 PolarHBondContact O-N 3.3Å; M242-H346 HydrophobicContact SD-CB 4.35Å; M242-H346 PolarHBondContact SD-CD2 2.83Å
243	Y	96.3	Very high	93.2	Very high	5 Å²	5	44 Å²	44	2%	0.02	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	153.1	163.5	66.3	-102.1	0	0	0	111.1	A294 A295 A302 F303 Y305 I343 R344 I441	Y243-A294 HydrophobicContact CD1-CB 3.7Å; Y243-A294 HydrophobicContact CD2-CB 3.79Å; Y243-A294 HydrophobicContact CE1-CB 3.87Å; Y243-A294 HydrophobicContact CE2-CB 3.97Å; Y243-A294 HydrophobicContact CG-CB 3.67Å; Y243-A295 WeakPolarHBondContact CE2-O 3.36Å; Y243-A295 PolarHBondContact OH-O 3.06Å; Y243-A302 CarbonylContact O-C 3.45Å; Y243-A302 WeakPolarHBondContact O-CA 3.31Å; Y243-F303 HydrophobicContact CD1-CB 4Å; Y243-F303 AromaticContact CD1-CD1 3.88Å; Y243-F303 HydrophobicContact CD1-CD1 3.88Å; Y243-F303 HydrophobicContact CD1-CG 4.28Å; Y243-F303 HydrophobicContact CD2-CB 4.04Å; Y243-F303 HydrophobicContact CE1-CB 3.48Å; Y243-F303 VanDerWaalsContact CE1-CB 3.48Å; Y243-F303 AromaticContact CE1-CD1 3.26Å; Y243-F303 HydrophobicContact CE1-CD1 3.26Å; Y243-F303 HydrophobicContact CE1-CD2 4.47Å; Y243-F303 HydrophobicContact CE1-CE1 4.1Å; Y243-F303 AromaticContact CE1-CG 3.48Å; Y243-F303 HydrophobicContact CE1-CG 3.48Å; Y243-F303 VanDerWaalsContact CE1-CG 3.48Å; Y243-F303 HydrophobicContact CE2-CB 3.51Å; Y243-F303 HydrophobicContact CE2-CG 4.32Å; Y243-F303 HydrophobicContact CG-CB 4.25Å; Y243-F303 AromaticContact CZ-CD1 3.82Å; Y243-F303 AromaticContact CZ-CG 3.49Å; Y243-F303 VanDerWaalsContact CZ-CG 3.49Å; Y243-F303 PolarHBondContact N-O 2.85Å; Y243-F303 PolarHBondContact O-N 2.89Å; Y243-F303 WeakPolarHBondContact OH-CB 3.48Å; Y243-F303 WeakPolarHBondContact OH-CG 3.19Å; Y243-Y305 HydrophobicContact CD1-CE2 4.25Å; Y243-Y305 HydrophobicContact CE1-CE2 4.41Å; Y243-I343 HydrophobicContact CD2-CG2 4.31Å; Y243-I343 HydrophobicContact CG-CG2 4.45Å; Y243-R344 VanDerWaalsContact CA-O 3.25Å; Y243-R344 WeakPolarHBondContact CA-O 3.19Å; Y243-R344 WeakPolarHBondContact CB-O 3.33Å; Y243-I441 WeakPolarHBondContact OH-CD1 3.4Å
244	E	95.3	Very high	93.3	Very high	61 Å²	61	39.1 Å²	39.1	29%	0.285	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	161.8	178.9	66	-173.8	150.4	0	0	110.5	M242 A302 I343 R344 H346	M242-E244 HydrophobicContact CE-CG 4.49Å; M242-E244 HydrophobicContact SD-CB 4.11Å; M242-E244 HydrophobicContact SD-CG 4.33Å; E244-A302 HydrophobicContact CB-CB 3.84Å; E244-I343 WeakPolarHBondContact O-CA 3.08Å; E244-R344 HydrophobicContact CG-CB 4.06Å; E244-R344 HydrophobicContact CG-CG 4.49Å; E244-R344 PolarHBondContact N-O 3.47Å; E244-R344 PolarHBondContact O-N 3.2Å; E244-H346 IonicContact OE1-CD2 3.2Å; E244-H346 IonicContact OE1-CE1 2.66Å; E244-H346 PolarHBondContact OE1-CE1 3.16Å; E244-H346 IonicContact OE1-NE2 3.58Å; E244-H346 PolarHBondContact OE1-NE2 2.98Å
245	S	95.1	Very high	93.7	Very high	35 Å²	35	31.7 Å²	31.7	25%	0.245	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	148.7	175.5	56.5	0	0	0	0	111.8	W296	S245-W296 VanDerWaalsContact CB-CE2 3.46Å; S245-W296 VanDerWaalsContact OG-CE2 3.27Å; S245-W296 PolarHBondContact OG-NE1 2.85Å; S245-W296 VanDerWaalsContact OG-NE1 3.15Å
246	V	97	Very high	93.4	Very high	33 Å²	33	30.9 Å²	30.9	20%	0.2	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	102	166.6	179.2	0	0	0	0	106	L211 S341 G342 R344	L211-V246 HydrophobicContact CD2-CB 3.8Å; L211-V246 HydrophobicContact CD2-CG1 3.95Å; L211-V246 HydrophobicContact CD2-CG2 4.41Å; V246-S341 CarbonylContact O-C 3.49Å; V246-S341 WeakPolarHBondContact O-CA 3.19Å; V246-S341 WeakPolarHBondContact O-CB 3.35Å; V246-G342 PolarHBondContact N-O 3.04Å; V246-G342 PolarHBondContact O-N 3.01Å; V246-R344 HydrophobicContact CG2-CB 3.57Å
247	I	95.7	Very high	93.2	Very high	34 Å²	34	27.2 Å²	27.2	17%	0.174	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-103.4	134.4	-177.3	-50.2	-58.5	0	0	0	109.6	E252 V255 I258 W296	I247-E252 HydrophobicContact CG2-CG 4.16Å; I247-V255 HydrophobicContact CD1-CB 4.28Å; I247-V255 HydrophobicContact CD1-CG1 3.86Å; I247-V255 HydrophobicContact CG2-CB 4.36Å; I247-V255 HydrophobicContact CG2-CG2 4.31Å; I247-I258 HydrophobicContact CD1-CD1 3.61Å; I247-W296 HydrophobicContact CD1-CE3 4.36Å; I247-W296 HydrophobicContact CD1-CH2 3.82Å; I247-W296 HydrophobicContact CD1-CZ2 4.39Å; I247-W296 HydrophobicContact CD1-CZ3 3.83Å; I247-W296 HydrophobicContact CG1-CH2 4.09Å; I247-W296 HydrophobicContact CG1-CZ2 4.38Å
248	T	96.2	Very high	93.1	Very high	33 Å²	33	23.4 Å²	23.4	20%	0.202	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-63	126.2	174.1	-56.4	0	0	0	0	108.9	G250 N251 D339 S340 S341	T248-G250 PolarHBondContact O-N 3.07Å; T248-N251 WeakPolarHBondContact O-CB 3.4Å; T248-N251 PolarHBondContact O-N 3.26Å; T248-D339 WeakPolarHBondContact CB-OD1 3.46Å; T248-D339 PolarHBondContact OG1-OD1 3.35Å; T248-D339 VanDerWaalsContact OG1-OD1 3.13Å; T248-S340 PolarHBondContact OG1-N 3.12Å; T248-S341 PolarHBondContact N-OG 3.48Å; T248-S341 PolarHBondContact OG1-N 2.74Å; T248-S341 PolarHBondContact OG1-OG 2.83Å
249	P	92.8	Very high	92.9	Very high	112 Å²	112	23.4 Å²	23.4	73%	0.727	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	130.6	179.8	-27.8	35.5	0	0	0	112.4	E252	P249-E252 WeakPolarHBondContact CA-OE1 3.44Å
250	G	88.9	Confident	92.9	Very high	40 Å²	40	23.4 Å²	23.4	41%	0.412	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	-6.6	-175.8	0	0	0	0	0	115.1	T248 E252	T248-G250 PolarHBondContact O-N 3.07Å; G250-E252 VanDerWaalsContact C-OE2 3.27Å; G250-E252 WeakPolarHBondContact CA-OE2 3.48Å; G250-E252 PolarHBondContact N-OE1 2.89Å; G250-E252 PolarHBondContact N-OE2 2.96Å
251	N	92.1	Very high	92.6	Very high	7 Å²	7	23.9 Å²	23.9	4%	0.037	14%	0.144	C	C	.	.			trans	-108	7.4	176	-63.4	-18.8	0	0	0	112.8	T248 A253 I254 V255 H338 D339	T248-N251 WeakPolarHBondContact O-CB 3.4Å; T248-N251 PolarHBondContact O-N 3.26Å; N251-A253 PolarHBondContact O-N 2.03Å; N251-A253 VanDerWaalsContact O-N 3.09Å; N251-I254 PolarHBondContact O-N 2.92Å; N251-V255 HydrophobicContact CB-CG2 4.1Å; N251-V255 PolarHBondContact O-N 3.31Å; N251-H338 PolarHBondContact ND2-O 3.49Å; N251-D339 PolarHBondContact ND2-OD1 2.88Å
252	E	89.2	Confident	92.4	Very high	85 Å²	85	24.3 Å²	24.3	40%	0.397	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-27.6	-176.5	-61.9	86.5	165.8	0	0	113.6	P46 I247 P249 G250 M298	P46-E252 HydrophobicContact CG-CB 4.38Å; I247-E252 HydrophobicContact CG2-CG 4.16Å; P249-E252 WeakPolarHBondContact CA-OE1 3.44Å; G250-E252 VanDerWaalsContact C-OE2 3.27Å; G250-E252 WeakPolarHBondContact CA-OE2 3.48Å; G250-E252 PolarHBondContact N-OE1 2.89Å; G250-E252 PolarHBondContact N-OE2 2.96Å; E252-M298 VanDerWaalsContact O-CE 3.32Å; E252-M298 WeakPolarHBondContact O-CE 3.41Å
253	A	84.9	Confident	92.1	Very high	17 Å²	17	24 Å²	24	14%	0.14	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-1.1	179.3	0	0	0	0	0	113.7	P46 D48 P49 N251	P46-A253 HydrophobicContact CB-CB 4.31Å; P46-A253 HydrophobicContact CG-CB 4.17Å; D48-A253 WeakPolarHBondContact O-CB 3.39Å; P49-A253 VanDerWaalsContact CA-CB 3.49Å; N251-A253 PolarHBondContact O-N 2.03Å; N251-A253 VanDerWaalsContact O-N 3.09Å
254	I	87.8	Confident	91.6	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-41.8	173.5	-66.6	-179.4	0	0	0	111.1	I217 N251 H256 Y328 H329 N330 I334	I217-I254 HydrophobicContact CD1-CG2 3.97Å; I217-I254 HydrophobicContact CG2-CG2 4.41Å; N251-I254 PolarHBondContact O-N 2.92Å; I254-H256 PolarHBondContact O-N 3.18Å; I254-Y328 HydrophobicContact CG2-CD1 4.05Å; I254-Y328 WeakPolarHBondContact O-CA 3.47Å; I254-H329 WeakPolarHBondContact CA-O 3.29Å; I254-H329 PolarHBondContact O-N 2.98Å; I254-N330 HydrophobicContact CG2-CB 4.33Å; I254-I334 HydrophobicContact CD1-CD1 4.42Å
255	V	91.8	Very high	90.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	101.9	178	-177.5	0	0	0	0	108.2	I247 N251 I258 W296 V326 Y328	I247-V255 HydrophobicContact CD1-CB 4.28Å; I247-V255 HydrophobicContact CD1-CG1 3.86Å; I247-V255 HydrophobicContact CG2-CB 4.36Å; I247-V255 HydrophobicContact CG2-CG2 4.31Å; N251-V255 HydrophobicContact CB-CG2 4.1Å; N251-V255 PolarHBondContact O-N 3.31Å; V255-I258 HydrophobicContact CG1-CD1 3.75Å; V255-I258 HydrophobicContact CG1-CG1 3.71Å; V255-W296 HydrophobicContact CG1-CZ3 4.17Å; V255-V326 HydrophobicContact CG1-CG1 3.94Å; V255-Y328 HydrophobicContact CG2-CD1 3.99Å; V255-Y328 HydrophobicContact CG2-CE1 3.79Å
256	H	87.4	Confident	90.3	Very high	4 Å²	4	30 Å²	30	2%	0.019	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-43.7	-167.9	-165.5	-117	0	0	0	111.7	I254 A297 M298 H327 H329 E437	I254-H256 PolarHBondContact O-N 3.18Å; H256-A297 WeakPolarHBondContact O-CA 3.04Å; H256-M298 PolarHBondContact O-N 2.82Å; H256-H327 PolarHBondContact N-O 2.96Å; H256-H327 AromaticContact ND1-CE1 3.92Å; H256-H327 AromaticContact ND1-ND1 3.8Å; H256-H329 HydrophobicContact CB-CB 3.92Å; H256-E437 VanDerWaalsContact CE1-C 3.45Å; H256-E437 PolarHBondContact CE1-O 3.09Å; H256-E437 PolarHBondContact ND1-O 3.17Å
257	H	89.1	Confident	89.6	Confident	4 Å²	4	29.6 Å²	29.6	2%	0.019	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	161	168.5	66.8	-109.5	0	0	0	112.5	Y224 W296 A297 H327 E437	Y224-H257 AromaticContact CE1-CE1 3.66Å; Y224-H257 AromaticContact CE1-NE2 3.52Å; H257-W296 CarbonylContact C-O 3.44Å; H257-W296 WeakPolarHBondContact CA-O 3.34Å; H257-W296 VanDerWaalsContact CB-O 3.23Å; H257-W296 WeakPolarHBondContact CB-O 3.32Å; H257-A297 HydrophobicContact CB-CB 3.84Å; H257-H327 VanDerWaalsContact CD2-CB 3.49Å; H257-H327 WeakPolarHBondContact CD2-CB 3.39Å; H257-H327 WeakPolarHBondContact CE1-CB 3.46Å; H257-H327 AromaticContact CE1-CG 3.35Å; H257-H327 AromaticContact CE1-ND1 3.08Å; H257-H327 PolarHBondContact CE1-ND1 2.8Å; H257-H327 AromaticContact ND1-CG 3.72Å; H257-H327 AromaticContact ND1-ND1 3.16Å; H257-H327 PolarHBondContact ND1-ND1 2.69Å; H257-H327 VanDerWaalsContact ND1-ND1 3.16Å; H257-H327 WeakPolarHBondContact NE2-CB 3.41Å; H257-H327 AromaticContact NE2-CG 3.76Å; H257-H327 AromaticContact NE2-ND1 3.93Å; H257-H327 PolarHBondContact O-N 2.67Å; H257-E437 PolarHBondContact ND1-O 2.8Å
258	I	94.1	Very high	89	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	133.9	-177.7	-52.7	174.6	0	0	0	108.9	I247 V255 A295 W296 L324 E325 V326 G342 I343	I247-I258 HydrophobicContact CD1-CD1 3.61Å; V255-I258 HydrophobicContact CG1-CD1 3.75Å; V255-I258 HydrophobicContact CG1-CG1 3.71Å; I258-A295 CarbonylContact O-C 3.36Å; I258-A295 WeakPolarHBondContact O-CA 3.33Å; I258-W296 HydrophobicContact CB-CE3 4.42Å; I258-W296 HydrophobicContact CD1-CE3 4.02Å; I258-W296 HydrophobicContact CD1-CZ3 4.37Å; I258-W296 HydrophobicContact CG1-CE3 3.95Å; I258-W296 HydrophobicContact CG1-CZ3 4.39Å; I258-W296 PolarHBondContact N-O 2.67Å; I258-W296 PolarHBondContact O-N 2.93Å; I258-L324 HydrophobicContact CG2-CD1 3.51Å; I258-E325 CarbonylContact C-O 3.52Å; I258-E325 WeakPolarHBondContact CA-O 3.34Å; I258-V326 HydrophobicContact CG1-CG1 4.32Å; I258-V326 HydrophobicContact CG2-CG2 4.28Å; I258-G342 WeakPolarHBondContact CD1-O 3.47Å; I258-I343 HydrophobicContact CB-CD1 4.14Å; I258-I343 HydrophobicContact CB-CG1 4.27Å; I258-I343 HydrophobicContact CG2-CD1 3.8Å; I258-I343 HydrophobicContact CG2-CG1 3.82Å
259	E	92.9	Very high	88.5	Confident	10 Å²	10	44.5 Å²	44.5	5%	0.047	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145.3	172.7	-61.5	-169.2	122.4	0	0	111.4	F261 A294 A295 L324 E325 Q404	E259-F261 HydrophobicContact CB-CD2 4.3Å; E259-F261 HydrophobicContact CB-CE2 3.57Å; E259-F261 HydrophobicContact CB-CZ 3.86Å; E259-F261 HydrophobicContact CG-CZ 4.49Å; E259-F261 WeakPolarHBondContact OE2-CZ 3.43Å; E259-A294 CarbonylContact C-O 3.55Å; E259-A294 WeakPolarHBondContact CA-O 3.23Å; E259-A295 HydrophobicContact CG-CB 3.96Å; E259-L324 CarbonylContact O-C 3.54Å; E259-L324 WeakPolarHBondContact O-CA 3.31Å; E259-E325 HydrophobicContact CB-CB 4.48Å; E259-E325 PolarHBondContact N-O 3.47Å; E259-E325 PolarHBondContact O-N 2.68Å; E259-Q404 PolarHBondContact OE1-NE2 2.79Å
260	V	95	Very high	88.3	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120	171.4	-180	0	0	0	0	108.4	V210 L293 A294 L322 R323 L324 I343	V210-V260 HydrophobicContact CB-CG2 4.3Å; V210-V260 HydrophobicContact CG1-CG1 4.34Å; V210-V260 HydrophobicContact CG1-CG2 4.14Å; V260-L293 HydrophobicContact CG1-CB 4.48Å; V260-L293 HydrophobicContact CG1-CD1 4.39Å; V260-L293 WeakPolarHBondContact O-CB 3.38Å; V260-L293 PolarHBondContact O-N 3.08Å; V260-A294 HydrophobicContact CB-CB 4.39Å; V260-A294 PolarHBondContact N-O 2.8Å; V260-A294 PolarHBondContact O-N 2.78Å; V260-L322 HydrophobicContact CG1-CB 4.16Å; V260-L322 HydrophobicContact CG1-CD1 4.1Å; V260-R323 CarbonylContact C-O 3.52Å; V260-R323 WeakPolarHBondContact CA-O 3.5Å; V260-L324 HydrophobicContact CG2-CD1 3.87Å; V260-I343 HydrophobicContact CG2-CB 3.94Å; V260-I343 HydrophobicContact CG2-CD1 4.01Å; V260-I343 HydrophobicContact CG2-CG1 4.41Å; V260-I343 HydrophobicContact CG2-CG2 4.43Å
261	F	91.6	Very high	88.4	Confident	11 Å²	11	40.3 Å²	40.3	5%	0.048	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	139.5	178.1	-54.8	-94.5	0	0	0	111.5	E259 C289 H291 V292 L322 R323 E325	E259-F261 HydrophobicContact CB-CD2 4.3Å; E259-F261 HydrophobicContact CB-CE2 3.57Å; E259-F261 HydrophobicContact CB-CZ 3.86Å; E259-F261 HydrophobicContact CG-CZ 4.49Å; E259-F261 WeakPolarHBondContact OE2-CZ 3.43Å; F261-C289 HydrophobicContact CB-CB 4.36Å; F261-H291 CarbonylContact C-O 3.57Å; F261-H291 WeakPolarHBondContact CA-O 3.33Å; F261-V292 HydrophobicContact CD1-CG2 3.89Å; F261-V292 HydrophobicContact CE1-CG2 3.64Å; F261-L322 CarbonylContact O-C 3.5Å; F261-L322 VanDerWaalsContact O-CA 3.22Å; F261-L322 WeakPolarHBondContact O-CA 3.14Å; F261-R323 HydrophobicContact CB-CB 4.26Å; F261-R323 PolarHBondContact N-O 2.85Å; F261-R323 PolarHBondContact O-N 3.46Å; F261-E325 HydrophobicContact CD2-CB 4.5Å; F261-E325 HydrophobicContact CE2-CB 3.87Å; F261-E325 WeakPolarHBondContact CE2-OE2 3.33Å
262	E	90.8	Very high	88.3	Confident	11 Å²	11	45.9 Å²	45.9	5%	0.051	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	135.2	162.7	-168.5	-173.9	-156.7	0	0	109.8	R290 H291 L293 S319 L322	E262-R290 PolarHBondContact O-N 2.9Å; E262-H291 HydrophobicContact CB-CB 4.02Å; E262-H291 PolarHBondContact N-O 2.87Å; E262-H291 PolarHBondContact O-N 2.67Å; E262-L293 HydrophobicContact CB-CD1 3.93Å; E262-L293 HydrophobicContact CB-CD2 3.85Å; E262-L293 HydrophobicContact CB-CG 3.81Å; E262-S319 PolarHBondContact OE1-N 2.83Å; E262-L322 HydrophobicContact CB-CD2 4.29Å; E262-L322 HydrophobicContact CG-CD2 4.35Å
263	C	90.1	Very high	88.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	156.2	171.7	-61	0	0	0	0	112.1	Q265 L267 V270 C289 S319 F321	C263-Q265 PolarHBondContact O-N 2.83Å; C263-L267 HydrophobicContact CB-CD1 4.15Å; C263-V270 HydrophobicContact CB-CG2 4.38Å; C263-C289 HydrophobicContact CB-CB 3.95Å; C263-C289 WeakPolarHBondContact CB-SG 3.38Å; C263-C289 WeakPolarHBondContact SG-CB 3.44Å; C263-C289 CovalentContact SG-SG 2.04Å; C263-C289 PolarHBondContact SG-SG 2.79Å; C263-S319 WeakPolarHBondContact O-CB 3.37Å; C263-S319 PolarHBondContact O-OG 2.83Å; C263-F321 HydrophobicContact CB-CB 4.05Å; C263-F321 WeakPolarHBondContact CB-O 3.43Å; C263-F321 PolarHBondContact N-O 3.02Å; C263-F321 VanDerWaalsContact N-O 3.08Å; C263-F321 PolarHBondContact SG-O 3.33Å; C263-F321 VanDerWaalsContact SG-O 3.38Å
264	A	85.1	Confident	89.1	Confident	21 Å²	21	45 Å²	45	17%	0.174	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-54.4	142.5	174.9	0	0	0	0	0	112.3	D266 L267 L288	A264-D266 VanDerWaalsContact C-N 3.27Å; A264-D266 WeakPolarHBondContact CB-OD1 3.42Å; A264-D266 PolarHBondContact O-N 3.06Å; A264-L267 HydrophobicContact CB-CD1 4.16Å; A264-L267 HydrophobicContact CB-CG 4.22Å; A264-L267 WeakPolarHBondContact O-CB 3.22Å; A264-L267 PolarHBondContact O-N 2.82Å; A264-L288 HydrophobicContact CB-CB 4.4Å; A264-L288 PolarHBondContact N-O 2.9Å; A264-L288 VanDerWaalsContact N-O 3.08Å
265	Q	82.2	Confident	89.4	Confident	78 Å²	78	45.3 Å²	45.3	36%	0.364	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-25.2	-172.1	-63.3	173.3	4.9	0	0	113.5	C263 L267 G317	C263-Q265 PolarHBondContact O-N 2.83Å; Q265-L267 VanDerWaalsContact C-N 3.27Å; Q265-L267 PolarHBondContact O-N 2.82Å; Q265-G317 WeakPolarHBondContact CG-O 3.36Å; Q265-G317 PolarHBondContact NE2-O 2.95Å; Q265-G317 PolarHBondContact OE1-O 3Å; Q265-G317 VanDerWaalsContact OE1-O 3.07Å
266	D	81.3	Confident	89.3	Confident	129 Å²	129	47.3 Å²	47.3	69%	0.69	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-9.4	-180	64.8	-35.4	0	0	0	113.1	A264 R268	A264-D266 VanDerWaalsContact C-N 3.27Å; A264-D266 WeakPolarHBondContact CB-OD1 3.42Å; A264-D266 PolarHBondContact O-N 3.06Å; D266-R268 PolarHBondContact O-N 2.73Å; D266-R268 VanDerWaalsContact O-N 3.11Å
267	L	83.6	Confident	89.4	Confident	25 Å²	25	47.3 Å²	47.3	13%	0.131	24%	0.237	C	C	.	.			trans	-76	98.8	176	-66	177.1	0	0	0	111.4	C263 A264 Q265 E269 V270 L288	C263-L267 HydrophobicContact CB-CD1 4.15Å; A264-L267 HydrophobicContact CB-CD1 4.16Å; A264-L267 HydrophobicContact CB-CG 4.22Å; A264-L267 WeakPolarHBondContact O-CB 3.22Å; A264-L267 PolarHBondContact O-N 2.82Å; Q265-L267 VanDerWaalsContact C-N 3.27Å; Q265-L267 PolarHBondContact O-N 2.82Å; L267-E269 VanDerWaalsContact C-N 3.33Å; L267-V270 HydrophobicContact CB-CG2 4.09Å; L267-V270 HydrophobicContact CD1-CG2 4.12Å; L267-L288 HydrophobicContact CD1-CB 3.84Å; L267-L288 HydrophobicContact CD1-CD1 4.17Å; L267-L288 HydrophobicContact CD2-CD1 3.95Å; L267-L288 HydrophobicContact CG-CD1 4.46Å
268	R	82.7	Confident	89.2	Confident	233 Å²	233	50.9 Å²	50.9	88%	0.879	26%	0.256	S	S	*	.	S	Bend	trans	-66.9	-34.2	174.7	-62.8	-174.5	-179.1	-173.9	-0.1	113.2	D266	D266-R268 PolarHBondContact O-N 2.73Å; D266-R268 VanDerWaalsContact O-N 3.11Å
269	E	86.1	Confident	88.8	Confident	147 Å²	147	54.4 Å²	54.4	69%	0.687	28%	0.275	S	S	*	.			trans	-140.9	123.3	-177.6	-68	-178.1	179.2	0	0	110.9	L267	L267-E269 VanDerWaalsContact C-N 3.33Å
270	V	88.1	Confident	88.3	Confident	10 Å²	10	63.3 Å²	63.3	6%	0.061	31%	0.313	C	S	.	.			trans	-113.3	125.2	170.4	-178.2	0	0	0	0	107.9	I228 C263 L267 Q272 L286 F321	I228-V270 HydrophobicContact CD1-CG1 4.24Å; I228-V270 HydrophobicContact CG1-CG1 4.43Å; I228-V270 HydrophobicContact CG2-CG1 4.1Å; C263-V270 HydrophobicContact CB-CG2 4.38Å; L267-V270 HydrophobicContact CB-CG2 4.09Å; L267-V270 HydrophobicContact CD1-CG2 4.12Å; V270-Q272 PolarHBondContact O-N 3.04Å; V270-L286 HydrophobicContact CG1-CD1 3.92Å; V270-F321 HydrophobicContact CB-CB 4.06Å; V270-F321 HydrophobicContact CB-CD1 3.8Å; V270-F321 HydrophobicContact CB-CD2 4.07Å; V270-F321 HydrophobicContact CB-CE1 4.21Å; V270-F321 HydrophobicContact CB-CE2 4.47Å; V270-F321 HydrophobicContact CB-CG 3.71Å; V270-F321 HydrophobicContact CG2-CB 3.82Å; V270-F321 HydrophobicContact CG2-CD1 4.22Å; V270-F321 HydrophobicContact CG2-CD2 3.58Å; V270-F321 HydrophobicContact CG2-CE2 4.15Å; V270-F321 HydrophobicContact CG2-CG 3.61Å
271	P	90.1	Very high	87.8	Confident	54 Å²	54	70.6 Å²	70.6	35%	0.351	35%	0.349	S	S	.	.			trans	-57.5	139.9	176.1	-22.8	33.1	0	0	0	111.1	Y273 P283	P271-Y273 PolarHBondContact O-N 2.84Å; P271-P283 HydrophobicContact CB-CB 4.47Å; P271-P283 HydrophobicContact CB-CG 4.11Å; P271-P283 HydrophobicContact CG-CB 4.09Å; P271-P283 HydrophobicContact CG-CG 4.27Å
272	Q	91.1	Very high	87.6	Confident	123 Å²	123	72 Å²	72	58%	0.575	36%	0.355	S	S	*	.			trans	-59.7	136.9	166.3	-74.4	-68.9	-36.4	0	0	109.2	I228 V270	I228-Q272 PolarHBondContact O-OE1 3.05Å; V270-Q272 PolarHBondContact O-N 3.04Å
273	Y	94.6	Very high	87.6	Confident	31 Å²	31	73.3 Å²	73.3	12%	0.122	36%	0.364	C	S	.	.			trans	-150.2	138.8	-178.7	-174.7	-99.8	0	0	0	109.5	C226 F227 I228 P271 S276 D279 K282 P283 L286	C226-Y273 HydrophobicContact CB-CD1 4.01Å; C226-Y273 HydrophobicContact CB-CE1 3.88Å; C226-Y273 WeakPolarHBondContact O-CD1 3.41Å; F227-Y273 CarbonylContact C-O 3.48Å; F227-Y273 VanDerWaalsContact CA-O 3.3Å; F227-Y273 WeakPolarHBondContact CA-O 3.35Å; F227-Y273 WeakPolarHBondContact CD2-O 3.3Å; I228-Y273 PolarHBondContact N-O 2.76Å; P271-Y273 PolarHBondContact O-N 2.84Å; Y273-S276 PolarHBondContact OH-O 3.07Å; Y273-D279 WeakPolarHBondContact OH-CB 3.24Å; Y273-K282 HydrophobicContact CE1-CD 4.49Å; Y273-K282 HydrophobicContact CE1-CG 4.16Å; Y273-K282 HydrophobicContact CE2-CB 4.41Å; Y273-K282 HydrophobicContact CE2-CG 4.42Å; Y273-P283 HydrophobicContact CD2-CG 4.38Å; Y273-L286 HydrophobicContact CD1-CD2 3.83Å; Y273-L286 HydrophobicContact CG-CD2 3.93Å
274	S	95	Very high	87.3	Confident	53 Å²	53	82 Å²	82	37%	0.371	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	113.3	168.7	-170.1	0	0	0	0	107.1	P213 W225 C226	P213-S274 WeakPolarHBondContact CG-OG 3.39Å; W225-S274 PolarHBondContact NE1-OG 2.79Å; W225-S274 VanDerWaalsContact NE1-OG 3.09Å; C226-S274 VanDerWaalsContact O-CA 3.28Å; C226-S274 WeakPolarHBondContact O-CA 3.29Å
275	G	93.9	Very high	87.4	Confident	8 Å²	8	85.9 Å²	85.9	8%	0.082	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.4	-173.2	-174.9	0	0	0	0	0	112.6	C226 C277	C226-G275 PolarHBondContact N-O 3.04Å; C226-G275 PolarHBondContact O-N 2.65Å; G275-C277 PolarHBondContact O-N 3.26Å
276	S	91.6	Very high	87.5	Confident	41 Å²	41	82.2 Å²	82.2	29%	0.287	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	130.8	177.5	170.6	0	0	0	0	111.6	Y224 Y273 D278 D279	Y224-S276 CarbonylContact O-C 3.59Å; Y224-S276 WeakPolarHBondContact O-CA 3.37Å; Y273-S276 PolarHBondContact OH-O 3.07Å; S276-D278 PolarHBondContact O-N 3.13Å; S276-D278 VanDerWaalsContact O-N 3.13Å; S276-D278 PolarHBondContact OG-N 2.92Å; S276-D278 VanDerWaalsContact OG-N 3.15Å; S276-D279 WeakPolarHBondContact O-CB 3.39Å; S276-D279 PolarHBondContact O-N 3.24Å; S276-D279 VanDerWaalsContact O-N 3.17Å
277	C	88.4	Confident	87.5	Confident	5 Å²	5	79 Å²	79	3%	0.034	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.9	173.7	-65.2	0	0	0	0	112.8	Y224 C226 G275 K282	Y224-C277 PolarHBondContact O-N 3.12Å; C226-C277 WeakPolarHBondContact CA-SG 3.42Å; C226-C277 HydrophobicContact CB-CB 4.11Å; C226-C277 WeakPolarHBondContact CB-SG 3.48Å; C226-C277 PolarHBondContact N-SG 2.87Å; C226-C277 VanDerWaalsContact SG-CA 3.56Å; C226-C277 WeakPolarHBondContact SG-CB 3.2Å; C226-C277 CovalentContact SG-SG 2.04Å; C226-C277 PolarHBondContact SG-SG 2.81Å; G275-C277 PolarHBondContact O-N 3.26Å; C277-K282 WeakPolarHBondContact O-CD 3.42Å; C277-K282 WeakPolarHBondContact O-CE 3.35Å; C277-K282 PolarHBondContact O-NZ 2.97Å
278	D	84.5	Confident	87.6	Confident	78 Å²	78	81.6 Å²	81.6	42%	0.417	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	2.3	-177.8	-60.1	-46.9	0	0	0	113.6	S276 K280 I477	S276-D278 PolarHBondContact O-N 3.13Å; S276-D278 VanDerWaalsContact O-N 3.13Å; S276-D278 PolarHBondContact OG-N 2.92Å; S276-D278 VanDerWaalsContact OG-N 3.15Å; D278-K280 PolarHBondContact O-N 3.21Å; D278-I477 WeakPolarHBondContact OD1-CG2 3.19Å
279	D	85.3	Confident	87.7	Confident	74 Å²	74	70.5 Å²	70.5	40%	0.396	35%	0.353	S	S	.	.			trans	-63.1	129.8	179.9	-163.5	-36.2	0	0	0	110.8	Y273 S276 M281 K282	Y273-D279 WeakPolarHBondContact OH-CB 3.24Å; S276-D279 WeakPolarHBondContact O-CB 3.39Å; S276-D279 PolarHBondContact O-N 3.24Å; S276-D279 VanDerWaalsContact O-N 3.17Å; D279-M281 PolarHBondContact O-N 3.23Å; D279-M281 VanDerWaalsContact O-N 3.16Å; D279-M281 WeakPolarHBondContact OD1-CB 3.28Å; D279-M281 PolarHBondContact OD1-N 3Å; D279-K282 WeakPolarHBondContact O-CB 3.42Å; D279-K282 PolarHBondContact O-N 2.83Å
280	K	83.4	Confident	87.4	Confident	198 Å²	198	66.7 Å²	66.7	86%	0.861	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.9	175.4	-65.6	-174.8	-179	178.7	0	112.7	D278	D278-K280 PolarHBondContact O-N 3.21Å
281	M	85	Confident	87	Confident	153 Å²	153	67.3 Å²	67.3	75%	0.754	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-4.1	176	-60.2	-63.1	117.8	0	0	112.8	D279	D279-M281 PolarHBondContact O-N 3.23Å; D279-M281 VanDerWaalsContact O-N 3.16Å; D279-M281 WeakPolarHBondContact OD1-CB 3.28Å; D279-M281 PolarHBondContact OD1-N 3Å
282	K	87.7	Confident	86.7	Confident	41 Å²	41	64.8 Å²	64.8	18%	0.178	32%	0.318	C	S	.	.	S	Bend	trans	-55.7	128.7	174.1	-174.4	179.8	70.2	179.2	0	109.5	Y273 C277 D279 K284 L286	Y273-K282 HydrophobicContact CE1-CD 4.49Å; Y273-K282 HydrophobicContact CE1-CG 4.16Å; Y273-K282 HydrophobicContact CE2-CB 4.41Å; Y273-K282 HydrophobicContact CE2-CG 4.42Å; C277-K282 WeakPolarHBondContact O-CD 3.42Å; C277-K282 WeakPolarHBondContact O-CE 3.35Å; C277-K282 PolarHBondContact O-NZ 2.97Å; D279-K282 WeakPolarHBondContact O-CB 3.42Å; D279-K282 PolarHBondContact O-N 2.83Å; K282-K284 PolarHBondContact O-N 3.5Å; K282-L286 HydrophobicContact CD-CB 4.5Å; K282-L286 HydrophobicContact CD-CD2 4.28Å; K282-L286 HydrophobicContact CG-CB 4.49Å; K282-L286 HydrophobicContact CG-CD2 4.02Å
283	P	89.2	Confident	86.6	Confident	37 Å²	37	59 Å²	59	24%	0.24	29%	0.291	C	S	.	.			trans	-62.4	125	-178.6	-16.5	25.9	0	0	0	110.7	P271 Y273 K285 L286	P271-P283 HydrophobicContact CB-CB 4.47Å; P271-P283 HydrophobicContact CB-CG 4.11Å; P271-P283 HydrophobicContact CG-CB 4.09Å; P271-P283 HydrophobicContact CG-CG 4.27Å; Y273-P283 HydrophobicContact CD2-CG 4.38Å; P283-K285 PolarHBondContact O-N 3.49Å; P283-L286 HydrophobicContact CB-CD1 3.91Å; P283-L286 HydrophobicContact CG-CD1 4.08Å; P283-L286 WeakPolarHBondContact O-CB 3.44Å; P283-L286 PolarHBondContact O-N 2.93Å
284	K	85.4	Confident	86.5	Confident	183 Å²	183	57.5 Å²	57.5	80%	0.796	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-55.1	-25.9	-176.9	-64.6	-173.7	178.9	-176.3	0	114	K282 L286 N287	K282-K284 PolarHBondContact O-N 3.5Å; K284-L286 PolarHBondContact O-N 2.87Å; K284-N287 WeakPolarHBondContact O-CB 3.28Å; K284-N287 PolarHBondContact O-N 2.87Å; K284-N287 VanDerWaalsContact O-N 3.13Å
285	K	86.2	Confident	86.3	Confident	103 Å²	103	55.2 Å²	55.2	45%	0.448	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-58.2	-27.7	175	-70.7	-174	176.3	-177.2	0	113	P283 N287 L288	P283-K285 PolarHBondContact O-N 3.49Å; K285-N287 PolarHBondContact O-N 2.87Å; K285-L288 WeakPolarHBondContact O-CB 3.5Å; K285-L288 PolarHBondContact O-N 3.27Å; K285-L288 VanDerWaalsContact O-N 3.12Å
286	L	85.1	Confident	86.2	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-67.1	-18.5	178.6	-85.7	65.4	0	0	0	113	I228 V270 Y273 K282 P283 K284 L288 C289 R323	I228-L286 HydrophobicContact CD1-CD1 4.42Å; I228-L286 HydrophobicContact CD1-CD2 3.8Å; I228-L286 HydrophobicContact CD1-CG 3.78Å; I228-L286 HydrophobicContact CG1-CD2 3.93Å; I228-L286 HydrophobicContact CG1-CG 4.23Å; V270-L286 HydrophobicContact CG1-CD1 3.92Å; Y273-L286 HydrophobicContact CD1-CD2 3.83Å; Y273-L286 HydrophobicContact CG-CD2 3.93Å; K282-L286 HydrophobicContact CD-CB 4.5Å; K282-L286 HydrophobicContact CD-CD2 4.28Å; K282-L286 HydrophobicContact CG-CB 4.49Å; K282-L286 HydrophobicContact CG-CD2 4.02Å; P283-L286 HydrophobicContact CB-CD1 3.91Å; P283-L286 HydrophobicContact CG-CD1 4.08Å; P283-L286 WeakPolarHBondContact O-CB 3.44Å; P283-L286 PolarHBondContact O-N 2.93Å; K284-L286 PolarHBondContact O-N 2.87Å; L286-L288 PolarHBondContact O-N 3.17Å; L286-C289 WeakPolarHBondContact O-CB 3.45Å; L286-C289 PolarHBondContact O-N 2.93Å; L286-C289 VanDerWaalsContact O-N 3.07Å; L286-R323 PolarHBondContact O-NH1 3.02Å
287	N	81	Confident	86	Confident	63 Å²	63	53.5 Å²	53.5	34%	0.337	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-69.3	-12.2	174.6	-62	-11.8	0	0	0	112.2	K284 K285 C289	K284-N287 WeakPolarHBondContact O-CB 3.28Å; K284-N287 PolarHBondContact O-N 2.87Å; K284-N287 VanDerWaalsContact O-N 3.13Å; K285-N287 PolarHBondContact O-N 2.87Å; N287-C289 VanDerWaalsContact C-N 3.32Å
288	L	84.3	Confident	85.7	Confident	79 Å²	79	53.5 Å²	53.5	41%	0.414	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-90	2.8	173.4	-59.9	172.7	0	0	0	112.6	A264 L267 K285 L286	A264-L288 HydrophobicContact CB-CB 4.4Å; A264-L288 PolarHBondContact N-O 2.9Å; A264-L288 VanDerWaalsContact N-O 3.08Å; L267-L288 HydrophobicContact CD1-CB 3.84Å; L267-L288 HydrophobicContact CD1-CD1 4.17Å; L267-L288 HydrophobicContact CD2-CD1 3.95Å; L267-L288 HydrophobicContact CG-CD1 4.46Å; K285-L288 WeakPolarHBondContact O-CB 3.5Å; K285-L288 PolarHBondContact O-N 3.27Å; K285-L288 VanDerWaalsContact O-N 3.12Å; L286-L288 PolarHBondContact O-N 3.17Å
289	C	86.8	Confident	85.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	92.4	170.8	-44.8	0	0	0	0	108.9	F261 C263 L286 N287 R323	F261-C289 HydrophobicContact CB-CB 4.36Å; C263-C289 HydrophobicContact CB-CB 3.95Å; C263-C289 WeakPolarHBondContact CB-SG 3.38Å; C263-C289 WeakPolarHBondContact SG-CB 3.44Å; C263-C289 CovalentContact SG-SG 2.04Å; C263-C289 PolarHBondContact SG-SG 2.79Å; L286-C289 WeakPolarHBondContact O-CB 3.45Å; L286-C289 PolarHBondContact O-N 2.93Å; L286-C289 VanDerWaalsContact O-N 3.07Å; N287-C289 VanDerWaalsContact C-N 3.32Å; C289-R323 HydrophobicContact CB-CB 3.92Å; C289-R323 PolarHBondContact O-NH1 3.38Å
290	R	78.3	Confident	85.1	Confident	66 Å²	66	48.1 Å²	48.1	25%	0.249	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	-10.2	-168.7	62.4	174.1	179.1	-174.3	1.9	114	E262 V292 E360	E262-R290 PolarHBondContact O-N 2.9Å; R290-V292 PolarHBondContact O-N 3.5Å; R290-V292 VanDerWaalsContact O-N 3.15Å; R290-E360 IonicContact NE-OE1 3.83Å
291	H	80.2	Confident	85.2	Confident	24 Å²	24	43.6 Å²	43.6	11%	0.111	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	103.9	179.6	-67.5	178.5	0	0	0	109.4	F261 E262 L293 E495	F261-H291 CarbonylContact C-O 3.57Å; F261-H291 WeakPolarHBondContact CA-O 3.33Å; E262-H291 HydrophobicContact CB-CB 4.02Å; E262-H291 PolarHBondContact N-O 2.87Å; E262-H291 PolarHBondContact O-N 2.67Å; H291-L293 PolarHBondContact O-N 2.68Å; H291-E495 IonicContact CE1-OE1 3.78Å; H291-E495 PolarHBondContact CE1-OE1 2.78Å; H291-E495 IonicContact CE1-OE2 2.8Å; H291-E495 IonicContact ND1-OE1 3.91Å; H291-E495 IonicContact NE2-OE1 3.9Å; H291-E495 PolarHBondContact NE2-OE1 3.16Å; H291-E495 IonicContact NE2-OE2 2.87Å; H291-E495 PolarHBondContact NE2-OE2 3.23Å
292	V	84.4	Confident	85.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	95.2	-175.9	-169.2	0	0	0	0	110.7	F261 R290 A295 I358 I441 Y485	F261-V292 HydrophobicContact CD1-CG2 3.89Å; F261-V292 HydrophobicContact CE1-CG2 3.64Å; R290-V292 PolarHBondContact O-N 3.5Å; R290-V292 VanDerWaalsContact O-N 3.15Å; V292-A295 HydrophobicContact CG1-CB 4.12Å; V292-I358 WeakPolarHBondContact O-CD1 3.04Å; V292-I441 HydrophobicContact CG1-CD1 4.44Å; V292-Y485 HydrophobicContact CG2-CD1 4.11Å; V292-Y485 HydrophobicContact CG2-CD2 4.33Å; V292-Y485 HydrophobicContact CG2-CE1 3.92Å; V292-Y485 HydrophobicContact CG2-CE2 4.15Å; V292-Y485 HydrophobicContact CG2-CG 4.32Å
293	L	89.1	Confident	85.6	Confident	2 Å²	2	36 Å²	36	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-37.4	177.4	-64.8	-175.6	0	0	0	112.1	V260 E262 H291 L311 L322	V260-L293 HydrophobicContact CG1-CB 4.48Å; V260-L293 HydrophobicContact CG1-CD1 4.39Å; V260-L293 WeakPolarHBondContact O-CB 3.38Å; V260-L293 PolarHBondContact O-N 3.08Å; E262-L293 HydrophobicContact CB-CD1 3.93Å; E262-L293 HydrophobicContact CB-CD2 3.85Å; E262-L293 HydrophobicContact CB-CG 3.81Å; H291-L293 PolarHBondContact O-N 2.68Å; L293-L311 HydrophobicContact CB-CD2 4.23Å; L293-L311 HydrophobicContact CD2-CD2 3.52Å; L293-L311 HydrophobicContact CD2-CG 4.3Å; L293-L311 HydrophobicContact CG-CD2 4.48Å; L293-L322 HydrophobicContact CD1-CD1 4.42Å; L293-L322 HydrophobicContact CD1-CD2 3.48Å; L293-L322 VanDerWaalsContact CD1-CD2 3.48Å
294	A	92.2	Very high	85.8	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	144.2	-177.8	0	0	0	0	0	110.1	Y243 E259 V260 I343 L345	Y243-A294 HydrophobicContact CD1-CB 3.7Å; Y243-A294 HydrophobicContact CD2-CB 3.79Å; Y243-A294 HydrophobicContact CE1-CB 3.87Å; Y243-A294 HydrophobicContact CE2-CB 3.97Å; Y243-A294 HydrophobicContact CG-CB 3.67Å; E259-A294 CarbonylContact C-O 3.55Å; E259-A294 WeakPolarHBondContact CA-O 3.23Å; V260-A294 HydrophobicContact CB-CB 4.39Å; V260-A294 PolarHBondContact N-O 2.8Å; V260-A294 PolarHBondContact O-N 2.78Å; A294-I343 HydrophobicContact CB-CD1 3.9Å; A294-I343 HydrophobicContact CB-CG2 4.04Å; A294-L345 HydrophobicContact CB-CD2 4.25Å
295	A	90.3	Very high	86.2	Confident	4 Å²	4	28.5 Å²	28.5	3%	0.033	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	139.5	173	0	0	0	0	0	109.2	Y243 I258 E259 V292 I441	Y243-A295 WeakPolarHBondContact CE2-O 3.36Å; Y243-A295 PolarHBondContact OH-O 3.06Å; I258-A295 CarbonylContact O-C 3.36Å; I258-A295 WeakPolarHBondContact O-CA 3.33Å; E259-A295 HydrophobicContact CG-CB 3.96Å; V292-A295 HydrophobicContact CG1-CB 4.12Å; A295-I441 HydrophobicContact CB-CD1 3.82Å; A295-I441 HydrophobicContact CB-CG1 3.95Å
296	W	92.4	Very high	86.6	Confident	14 Å²	14	24.1 Å²	24.1	5%	0.053	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	144.4	-179.3	176.1	89.7	0	0	0	109.4	S245 I247 V255 H257 I258 M298 A300 I343	S245-W296 VanDerWaalsContact CB-CE2 3.46Å; S245-W296 VanDerWaalsContact OG-CE2 3.27Å; S245-W296 PolarHBondContact OG-NE1 2.85Å; S245-W296 VanDerWaalsContact OG-NE1 3.15Å; I247-W296 HydrophobicContact CD1-CE3 4.36Å; I247-W296 HydrophobicContact CD1-CH2 3.82Å; I247-W296 HydrophobicContact CD1-CZ2 4.39Å; I247-W296 HydrophobicContact CD1-CZ3 3.83Å; I247-W296 HydrophobicContact CG1-CH2 4.09Å; I247-W296 HydrophobicContact CG1-CZ2 4.38Å; V255-W296 HydrophobicContact CG1-CZ3 4.17Å; H257-W296 CarbonylContact C-O 3.44Å; H257-W296 WeakPolarHBondContact CA-O 3.34Å; H257-W296 VanDerWaalsContact CB-O 3.23Å; H257-W296 WeakPolarHBondContact CB-O 3.32Å; I258-W296 HydrophobicContact CB-CE3 4.42Å; I258-W296 HydrophobicContact CD1-CE3 4.02Å; I258-W296 HydrophobicContact CD1-CZ3 4.37Å; I258-W296 HydrophobicContact CG1-CE3 3.95Å; I258-W296 HydrophobicContact CG1-CZ3 4.39Å; I258-W296 PolarHBondContact N-O 2.67Å; I258-W296 PolarHBondContact O-N 2.93Å; W296-M298 HydrophobicContact CH2-CB 4.41Å; W296-A300 PolarHBondContact NE1-O 3.15Å; W296-I343 HydrophobicContact CB-CD1 4.21Å
297	A	86	Confident	86.9	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	165.4	168	0	0	0	0	0	110.3	H256 H257 G299 A300 Y438 T440	H256-A297 WeakPolarHBondContact O-CA 3.04Å; H257-A297 HydrophobicContact CB-CB 3.84Å; A297-G299 PolarHBondContact O-N 3.26Å; A297-A300 WeakPolarHBondContact O-CB 3.41Å; A297-A300 PolarHBondContact O-N 3.4Å; A297-Y438 HydrophobicContact CB-CD2 3.61Å; A297-Y438 HydrophobicContact CB-CE2 3.55Å; A297-T440 HydrophobicContact CB-CG2 3.37Å
298	M	82.6	Confident	87.5	Confident	4 Å²	4	29.5 Å²	29.5	2%	0.02	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	133.6	-176.1	-164.9	-177.6	-57.5	0	0	112.9	P46 Q187 E252 H256 W296 A300 Y438	P46-M298 HydrophobicContact CG-SD 4.08Å; Q187-M298 PolarHBondContact NE2-SD 3.39Å; E252-M298 VanDerWaalsContact O-CE 3.32Å; E252-M298 WeakPolarHBondContact O-CE 3.41Å; H256-M298 PolarHBondContact O-N 2.82Å; W296-M298 HydrophobicContact CH2-CB 4.41Å; M298-A300 PolarHBondContact O-N 3.15Å; M298-Y438 WeakPolarHBondContact O-CE2 3.37Å; M298-Y438 PolarHBondContact O-OH 3.48Å
299	G	75.3	Confident	88	Confident	13 Å²	13	25.8 Å²	25.8	13%	0.134	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	-4.6	-177.3	0	0	0	0	0	115	R193 A297	R193-G299 VanDerWaalsContact CZ-O 3.24Å; R193-G299 PolarHBondContact NH1-O 3.08Å; R193-G299 PolarHBondContact NH2-O 3.19Å; A297-G299 PolarHBondContact O-N 3.26Å
300	A	81.8	Confident	88.5	Confident	26 Å²	26	25.8 Å²	25.8	22%	0.215	14%	0.14	C	C	.	.			trans	-71.2	139.5	170.6	0	0	0	0	0	110.6	W296 A297 M298 T440	W296-A300 PolarHBondContact NE1-O 3.15Å; A297-A300 WeakPolarHBondContact O-CB 3.41Å; A297-A300 PolarHBondContact O-N 3.4Å; M298-A300 PolarHBondContact O-N 3.15Å; A300-T440 HydrophobicContact CB-CG2 4.23Å
301	E	85.4	Confident	89.3	Confident	104 Å²	104	23 Å²	23	49%	0.486	13%	0.13	S	C	.	.			trans	-85.1	-179.3	173.9	-66.3	-175.5	119.9	0	0	111.1	F43	F43-E301 VanDerWaalsContact CE1-OE2 3.29Å; F43-E301 WeakPolarHBondContact CE1-OE2 3.48Å
302	A	89.9	Confident	89.9	Confident	25 Å²	25	22.1 Å²	22.1	21%	0.207	13%	0.127	C	C	.	.			trans	-58.8	139	171.5	0	0	0	0	0	111.1	M242 Y243 E244 Y304	M242-A302 HydrophobicContact CE-CB 4.42Å; M242-A302 HydrophobicContact CG-CB 4.34Å; M242-A302 HydrophobicContact SD-CB 3.92Å; Y243-A302 CarbonylContact O-C 3.45Å; Y243-A302 WeakPolarHBondContact O-CA 3.31Å; E244-A302 HydrophobicContact CB-CB 3.84Å; A302-Y304 HydrophobicContact CB-CE2 3.77Å; A302-Y304 WeakPolarHBondContact O-CD2 3.41Å; A302-Y304 WeakPolarHBondContact O-CE2 3.37Å
303	F	92.4	Very high	90.4	Very high	10 Å²	10	22.2 Å²	22.2	4%	0.044	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	128.9	175.1	179.2	-89.1	0	0	0	110.1	M242 Y243 Y305 F401 A402 I441 V443	M242-F303 CarbonylContact C-O 3.59Å; M242-F303 WeakPolarHBondContact CA-O 3.4Å; M242-F303 VanDerWaalsContact CG-O 3.32Å; M242-F303 WeakPolarHBondContact CG-O 3.38Å; Y243-F303 HydrophobicContact CD1-CB 4Å; Y243-F303 AromaticContact CD1-CD1 3.88Å; Y243-F303 HydrophobicContact CD1-CD1 3.88Å; Y243-F303 HydrophobicContact CD1-CG 4.28Å; Y243-F303 HydrophobicContact CD2-CB 4.04Å; Y243-F303 HydrophobicContact CE1-CB 3.48Å; Y243-F303 VanDerWaalsContact CE1-CB 3.48Å; Y243-F303 AromaticContact CE1-CD1 3.26Å; Y243-F303 HydrophobicContact CE1-CD1 3.26Å; Y243-F303 HydrophobicContact CE1-CD2 4.47Å; Y243-F303 HydrophobicContact CE1-CE1 4.1Å; Y243-F303 AromaticContact CE1-CG 3.48Å; Y243-F303 HydrophobicContact CE1-CG 3.48Å; Y243-F303 VanDerWaalsContact CE1-CG 3.48Å; Y243-F303 HydrophobicContact CE2-CB 3.51Å; Y243-F303 HydrophobicContact CE2-CG 4.32Å; Y243-F303 HydrophobicContact CG-CB 4.25Å; Y243-F303 AromaticContact CZ-CD1 3.82Å; Y243-F303 AromaticContact CZ-CG 3.49Å; Y243-F303 VanDerWaalsContact CZ-CG 3.49Å; Y243-F303 PolarHBondContact N-O 2.85Å; Y243-F303 PolarHBondContact O-N 2.89Å; Y243-F303 WeakPolarHBondContact OH-CB 3.48Å; Y243-F303 WeakPolarHBondContact OH-CG 3.19Å; F303-Y305 AromaticContact CD1-CD2 3.99Å; F303-Y305 HydrophobicContact CD1-CD2 3.99Å; F303-Y305 AromaticContact CD1-CE2 3.85Å; F303-Y305 HydrophobicContact CD1-CE2 3.85Å; F303-Y305 HydrophobicContact CE1-CD1 4.34Å; F303-Y305 AromaticContact CE1-CD2 3.76Å; F303-Y305 HydrophobicContact CE1-CD2 3.76Å; F303-Y305 HydrophobicContact CE1-CE1 4.23Å; F303-Y305 AromaticContact CE1-CE2 3.64Å; F303-Y305 HydrophobicContact CE1-CE2 3.64Å; F303-Y305 HydrophobicContact CE1-CG 4.11Å; F303-Y305 AromaticContact CE1-CZ 3.87Å; F303-F401 HydrophobicContact CE1-CE2 4.33Å; F303-F401 HydrophobicContact CZ-CD2 4.39Å; F303-F401 AromaticContact CZ-CE2 3.9Å; F303-F401 HydrophobicContact CZ-CE2 3.9Å; F303-A402 HydrophobicContact CE2-CB 3.68Å; F303-A402 HydrophobicContact CZ-CB 3.7Å; F303-I441 HydrophobicContact CD2-CB 4.48Å; F303-I441 HydrophobicContact CD2-CG2 3.97Å; F303-I441 HydrophobicContact CE2-CB 4.42Å; F303-I441 HydrophobicContact CE2-CG2 3.46Å; F303-I441 VanDerWaalsContact CE2-CG2 3.46Å; F303-I441 HydrophobicContact CZ-CG2 3.99Å; F303-V443 HydrophobicContact CD2-CG2 3.9Å; F303-V443 HydrophobicContact CE2-CG2 3.53Å; F303-V443 HydrophobicContact CZ-CG2 4.4Å
304	Y	93.1	Very high	90.5	Very high	58 Å²	58	22.4 Å²	22.4	23%	0.227	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.5	179.9	-62.4	-97.3	0	0	0	110.8	P199 L201 M242 A302	P199-Y304 HydrophobicContact CB-CD1 4.26Å; P199-Y304 HydrophobicContact CG-CD1 4.13Å; P199-Y304 HydrophobicContact CG-CG 4.1Å; P199-Y304 WeakPolarHBondContact O-CE1 3.21Å; L201-Y304 HydrophobicContact CD2-CD1 4.32Å; L201-Y304 HydrophobicContact CD2-CE1 4.43Å; L201-Y304 HydrophobicContact CG-CE1 4.48Å; M242-Y304 HydrophobicContact CB-CD1 4.07Å; M242-Y304 HydrophobicContact CB-CE1 4.41Å; M242-Y304 HydrophobicContact CG-CD1 3.63Å; M242-Y304 HydrophobicContact CG-CE1 3.63Å; M242-Y304 HydrophobicContact CG-CG 4.13Å; A302-Y304 HydrophobicContact CB-CE2 3.77Å; A302-Y304 WeakPolarHBondContact O-CD2 3.41Å; A302-Y304 WeakPolarHBondContact O-CE2 3.37Å
305	Y	94.3	Very high	90.4	Very high	3 Å²	3	23.4 Å²	23.4	1%	0.012	14%	0.14	C	C	.	.			trans	-73.3	147.6	171	-78.5	-97.8	0	0	0	110.7	I240 V241 Y243 F303 A309 L311 R352 A356 F401	I240-Y305 HydrophobicContact CG2-CE2 4.23Å; V241-Y305 PolarHBondContact O-N 3.32Å; Y243-Y305 HydrophobicContact CD1-CE2 4.25Å; Y243-Y305 HydrophobicContact CE1-CE2 4.41Å; F303-Y305 AromaticContact CD1-CD2 3.99Å; F303-Y305 HydrophobicContact CD1-CD2 3.99Å; F303-Y305 AromaticContact CD1-CE2 3.85Å; F303-Y305 HydrophobicContact CD1-CE2 3.85Å; F303-Y305 HydrophobicContact CE1-CD1 4.34Å; F303-Y305 AromaticContact CE1-CD2 3.76Å; F303-Y305 HydrophobicContact CE1-CD2 3.76Å; F303-Y305 HydrophobicContact CE1-CE1 4.23Å; F303-Y305 AromaticContact CE1-CE2 3.64Å; F303-Y305 HydrophobicContact CE1-CE2 3.64Å; F303-Y305 HydrophobicContact CE1-CG 4.11Å; F303-Y305 AromaticContact CE1-CZ 3.87Å; Y305-A309 WeakPolarHBondContact CB-O 3.42Å; Y305-L311 HydrophobicContact CE1-CB 3.7Å; Y305-L311 HydrophobicContact CE2-CB 4.37Å; Y305-L311 VanDerWaalsContact OH-CD2 3.3Å; Y305-L311 WeakPolarHBondContact OH-CD2 3.36Å; Y305-R352 VanDerWaalsContact C-NH1 3.33Å; Y305-R352 PolarHBondContact O-NH1 2.94Å; Y305-A356 HydrophobicContact CD1-CB 4.04Å; Y305-A356 HydrophobicContact CE1-CB 3.94Å; Y305-F401 HydrophobicContact CD1-CE2 4Å; Y305-F401 AromaticContact CD1-CZ 3.74Å; Y305-F401 HydrophobicContact CD1-CZ 3.74Å; Y305-F401 HydrophobicContact CE1-CE2 4.26Å; Y305-F401 AromaticContact CE1-CZ 3.9Å; Y305-F401 HydrophobicContact CE1-CZ 3.9Å
306	P	93.3	Very high	90.1	Very high	12 Å²	12	29.8 Å²	29.8	8%	0.078	18%	0.181	C	C	.	.			trans	-55	145.7	176.4	-25.2	33.5	0	0	0	112.7	D308 A309 R352 F401 M447 Y489	P306-D308 PolarHBondContact O-N 2.89Å; P306-A309 CarbonylContact O-C 3.53Å; P306-A309 PolarHBondContact O-N 2.99Å; P306-R352 PolarHBondContact O-NH1 3.37Å; P306-F401 VanDerWaalsContact CD-CE2 3.45Å; P306-F401 HydrophobicContact CG-CB 3.89Å; P306-F401 HydrophobicContact CG-CD1 3.88Å; P306-F401 HydrophobicContact CG-CD2 3.56Å; P306-F401 HydrophobicContact CG-CE1 4.27Å; P306-F401 HydrophobicContact CG-CE2 3.98Å; P306-F401 HydrophobicContact CG-CG 3.49Å; P306-F401 VanDerWaalsContact CG-CG 3.49Å; P306-F401 HydrophobicContact CG-CZ 4.32Å; P306-M447 HydrophobicContact CB-CE 3.86Å; P306-M447 HydrophobicContact CG-CE 3.73Å; P306-Y489 HydrophobicContact CB-CE1 4.2Å; P306-Y489 HydrophobicContact CG-CE1 4.1Å
307	P	92.3	Very high	89.5	Confident	103 Å²	103	31.4 Å²	31.4	67%	0.669	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.7	-175.7	23.4	-34.6	0	0	0	114	R352	P307-R352 VanDerWaalsContact O-CD 3.24Å; P307-R352 WeakPolarHBondContact O-CD 3.14Å; P307-R352 PolarHBondContact O-NE 3.2Å
308	D	92.5	Very high	89.4	Confident	73 Å²	73	32.5 Å²	32.5	39%	0.39	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-13.2	178.8	-64.2	-63.6	0	0	0	114.5	P306 R353 Y354	P306-D308 PolarHBondContact O-N 2.89Å; D308-R353 PolarHBondContact O-N 3.08Å; D308-Y354 HydrophobicContact CB-CD2 4.08Å; D308-Y354 HydrophobicContact CB-CE2 4.46Å; D308-Y354 PolarHBondContact O-N 2.92Å
309	A	96.3	Very high	89.7	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147.8	-172.2	0	0	0	0	0	114	Y305 P306 R352 Y354 A356 Y489	Y305-A309 WeakPolarHBondContact CB-O 3.42Å; P306-A309 CarbonylContact O-C 3.53Å; P306-A309 PolarHBondContact O-N 2.99Å; A309-R352 VanDerWaalsContact C-CD 3.4Å; A309-R352 WeakPolarHBondContact O-CD 3.43Å; A309-R352 PolarHBondContact O-NH1 3.37Å; A309-Y354 VanDerWaalsContact CA-O 3.25Å; A309-Y354 WeakPolarHBondContact CA-O 3.26Å; A309-A356 HydrophobicContact CB-CB 4.36Å; A309-Y489 HydrophobicContact CB-CD1 3.69Å; A309-Y489 HydrophobicContact CB-CE1 4.45Å; A309-Y489 HydrophobicContact CB-CG 3.77Å
310	G	96.2	Very high	90.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	149.5	171.7	0	0	0	0	0	111.1	I240 A312 Y354 A356	I240-G310 CarbonylContact O-C 3.52Å; I240-G310 WeakPolarHBondContact O-CA 3.5Å; G310-A312 PolarHBondContact O-N 3.32Å; G310-Y354 PolarHBondContact N-O 2.66Å; G310-Y354 VanDerWaalsContact N-O 3.16Å; G310-A356 PolarHBondContact O-N 3.39Å
311	L	95.3	Very high	91	Very high	9 Å²	9	35 Å²	35	5%	0.047	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	121.9	179.9	-176.9	63.2	0	0	0	109.9	H239 I240 L293 Y305 I313 A356 I358	H239-L311 CarbonylContact C-O 3.59Å; H239-L311 WeakPolarHBondContact CA-O 3.45Å; I240-L311 HydrophobicContact CB-CB 4.3Å; I240-L311 HydrophobicContact CD1-CD2 4.49Å; I240-L311 PolarHBondContact N-O 2.92Å; I240-L311 PolarHBondContact O-N 3.15Å; L293-L311 HydrophobicContact CB-CD2 4.23Å; L293-L311 HydrophobicContact CD2-CD2 3.52Å; L293-L311 HydrophobicContact CD2-CG 4.3Å; L293-L311 HydrophobicContact CG-CD2 4.48Å; Y305-L311 HydrophobicContact CE1-CB 3.7Å; Y305-L311 HydrophobicContact CE2-CB 4.37Å; Y305-L311 VanDerWaalsContact OH-CD2 3.3Å; Y305-L311 WeakPolarHBondContact OH-CD2 3.36Å; L311-I313 PolarHBondContact O-N 3.11Å; L311-A356 HydrophobicContact CB-CB 4.49Å; L311-I358 HydrophobicContact CD1-CD1 4.41Å; L311-I358 HydrophobicContact CD1-CG1 4.4Å; L311-I358 HydrophobicContact CD2-CD1 4.19Å
312	A	94	Very high	91.4	Very high	4 Å²	4	30.1 Å²	30.1	3%	0.033	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	132.2	-177.1	0	0	0	0	0	111.8	N238 G310	N238-A312 WeakPolarHBondContact O-CA 3.21Å; G310-A312 PolarHBondContact O-N 3.32Å
313	I	93.3	Very high	91.7	Very high	3 Å²	3	30 Å²	30	2%	0.015	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	145.4	173.3	-171.6	166.5	0	0	0	110.3	M208 L231 M235 N238 I240 L311 L345	M208-I313 HydrophobicContact CE-CD1 4.06Å; L231-I313 HydrophobicContact CD1-CD1 3.9Å; L231-I313 HydrophobicContact CD1-CG1 3.74Å; L231-I313 HydrophobicContact CD2-CD1 4.12Å; M235-I313 HydrophobicContact CE-CG2 4.03Å; N238-I313 HydrophobicContact CB-CG2 4.03Å; N238-I313 PolarHBondContact N-O 3.05Å; N238-I313 PolarHBondContact O-N 3.2Å; I240-I313 HydrophobicContact CD1-CB 4.09Å; I240-I313 HydrophobicContact CD1-CD1 4.04Å; I240-I313 HydrophobicContact CD1-CG2 4.15Å; I240-I313 HydrophobicContact CG1-CB 4.19Å; I240-I313 HydrophobicContact CG1-CG2 3.72Å; L311-I313 PolarHBondContact O-N 3.11Å; I313-L345 HydrophobicContact CD1-CD1 4.39Å
314	G	91.9	Very high	91.9	Very high	5 Å²	5	29.6 Å²	29.6	5%	0.052	18%	0.18	C	C	.	.	S	Bend	trans	70.6	-176.7	-176.8	0	0	0	0	0	113.5	S318	G314-S318 VanDerWaalsContact O-CB 3.27Å; G314-S318 WeakPolarHBondContact O-CB 3.41Å; G314-S318 PolarHBondContact O-OG 2.86Å
315	G	90.5	Very high	92	Very high	22 Å²	22	28 Å²	28	23%	0.227	17%	0.174	C	C	.	.	S	Bend	trans	72.8	177.6	-175.5	0	0	0	0	0	114.5	M235 G317 S318	M235-G315 PolarHBondContact O-N 2.88Å; G315-G317 PolarHBondContact O-N 2.79Å; G315-S318 PolarHBondContact O-N 3.05Å
316	P	84.1	Confident	92	Very high	138 Å²	138	27.9 Å²	27.9	90%	0.896	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	132.2	179	-20.7	32.6	0	0	0	111.4
317	G	78.4	Confident	92	Very high	48 Å²	48	27.3 Å²	27.3	50%	0.495	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	16.6	179.8	0	0	0	0	0	114.8	Q265 G315	Q265-G317 WeakPolarHBondContact CG-O 3.36Å; Q265-G317 PolarHBondContact NE2-O 2.95Å; Q265-G317 PolarHBondContact OE1-O 3Å; Q265-G317 VanDerWaalsContact OE1-O 3.07Å; G315-G317 PolarHBondContact O-N 2.79Å
318	S	84.7	Confident	92	Very high	22 Å²	22	22.4 Å²	22.4	15%	0.154	14%	0.139	C	C	.	.	S	Bend	trans	-111	150.8	165.3	-57.3	0	0	0	0	109.7	G314 G315	G314-S318 VanDerWaalsContact O-CB 3.27Å; G314-S318 WeakPolarHBondContact O-CB 3.41Å; G314-S318 PolarHBondContact O-OG 2.86Å; G315-S318 PolarHBondContact O-N 3.05Å
319	S	88.9	Confident	91.8	Very high	4 Å²	4	21.1 Å²	21.1	3%	0.028	13%	0.13	C	C	.	.			trans	-76.8	151.5	172.8	-166.3	0	0	0	0	110.3	E262 C263 F321	E262-S319 PolarHBondContact OE1-N 2.83Å; C263-S319 WeakPolarHBondContact O-CB 3.37Å; C263-S319 PolarHBondContact O-OG 2.83Å; S319-F321 PolarHBondContact OG-N 3.06Å
320	R	90.3	Very high	91.4	Very high	74 Å²	74	21.2 Å²	21.2	28%	0.279	13%	0.131	S	C	.	.	S	Bend	trans	-100.5	-0.2	177.4	-64.9	-171.5	56.1	-140	-25.3	112.9	K230 L231 P232 D233	K230-R320 CarbonylContact C-O 3.55Å; K230-R320 WeakPolarHBondContact CA-O 3.34Å; L231-R320 HydrophobicContact CB-CB 4.46Å; L231-R320 PolarHBondContact N-O 3.06Å; L231-R320 PolarHBondContact O-NH2 3.38Å; P232-R320 PolarHBondContact O-NE 3.43Å; P232-R320 PolarHBondContact O-NH2 2.9Å; D233-R320 IonicContact OD1-CZ 3.76Å; D233-R320 IonicContact OD1-NH1 2.71Å; D233-R320 PolarHBondContact OD1-NH1 3.12Å; D233-R320 IonicContact OD1-NH2 2.94Å; D233-R320 PolarHBondContact OD1-NH2 3.36Å
321	F	93.6	Very high	90.9	Very high	19 Å²	19	24 Å²	24	8%	0.083	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.9	-176.1	-56.3	-79.8	0	0	0	109	I228 K230 C263 V270 S319	I228-F321 HydrophobicContact CG2-CD1 4.48Å; K230-F321 HydrophobicContact CD-CE1 4.27Å; K230-F321 HydrophobicContact CG-CD1 4.2Å; K230-F321 HydrophobicContact CG-CE1 4.03Å; C263-F321 HydrophobicContact CB-CB 4.05Å; C263-F321 WeakPolarHBondContact CB-O 3.43Å; C263-F321 PolarHBondContact N-O 3.02Å; C263-F321 VanDerWaalsContact N-O 3.08Å; C263-F321 PolarHBondContact SG-O 3.33Å; C263-F321 VanDerWaalsContact SG-O 3.38Å; V270-F321 HydrophobicContact CB-CB 4.06Å; V270-F321 HydrophobicContact CB-CD1 3.8Å; V270-F321 HydrophobicContact CB-CD2 4.07Å; V270-F321 HydrophobicContact CB-CE1 4.21Å; V270-F321 HydrophobicContact CB-CE2 4.47Å; V270-F321 HydrophobicContact CB-CG 3.71Å; V270-F321 HydrophobicContact CG2-CB 3.82Å; V270-F321 HydrophobicContact CG2-CD1 4.22Å; V270-F321 HydrophobicContact CG2-CD2 3.58Å; V270-F321 HydrophobicContact CG2-CE2 4.15Å; V270-F321 HydrophobicContact CG2-CG 3.61Å; S319-F321 PolarHBondContact OG-N 3.06Å
322	L	94.9	Very high	90.6	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135.9	173.4	-56.2	-173.1	0	0	0	108.7	M208 V210 I228 Q229 L231 V260 F261 E262 L293 L345	M208-L322 HydrophobicContact CE-CD1 4.25Å; V210-L322 HydrophobicContact CG2-CD1 3.95Å; I228-L322 CarbonylContact C-O 3.54Å; I228-L322 WeakPolarHBondContact CA-O 3.2Å; Q229-L322 HydrophobicContact CB-CB 4.37Å; Q229-L322 PolarHBondContact N-O 3.38Å; Q229-L322 PolarHBondContact O-N 2.86Å; L231-L322 HydrophobicContact CD2-CD1 3.79Å; L231-L322 HydrophobicContact CD2-CG 4.14Å; L231-L322 HydrophobicContact CG-CG 4.36Å; V260-L322 HydrophobicContact CG1-CB 4.16Å; V260-L322 HydrophobicContact CG1-CD1 4.1Å; F261-L322 CarbonylContact O-C 3.5Å; F261-L322 VanDerWaalsContact O-CA 3.22Å; F261-L322 WeakPolarHBondContact O-CA 3.14Å; E262-L322 HydrophobicContact CB-CD2 4.29Å; E262-L322 HydrophobicContact CG-CD2 4.35Å; L293-L322 HydrophobicContact CD1-CD1 4.42Å; L293-L322 HydrophobicContact CD1-CD2 3.48Å; L293-L322 VanDerWaalsContact CD1-CD2 3.48Å; L322-L345 HydrophobicContact CD1-CD1 4.48Å
323	R	95.5	Very high	90.4	Very high	23 Å²	23	32 Å²	32	9%	0.087	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	115.8	168.7	-172.7	-175.2	88.6	-161.7	8.1	108.3	F227 I228 V260 F261 L286 C289 E325	F227-R323 CarbonylContact O-C 3.59Å; F227-R323 WeakPolarHBondContact O-CA 3.34Å; I228-R323 HydrophobicContact CD1-CB 3.75Å; I228-R323 HydrophobicContact CD1-CG 3.79Å; V260-R323 CarbonylContact C-O 3.52Å; V260-R323 WeakPolarHBondContact CA-O 3.5Å; F261-R323 HydrophobicContact CB-CB 4.26Å; F261-R323 PolarHBondContact N-O 2.85Å; F261-R323 PolarHBondContact O-N 3.46Å; L286-R323 PolarHBondContact O-NH1 3.02Å; C289-R323 HydrophobicContact CB-CB 3.92Å; C289-R323 PolarHBondContact O-NH1 3.38Å; R323-E325 IonicContact CZ-OE2 2.9Å; R323-E325 IonicContact NE-OE2 3.42Å; R323-E325 IonicContact NH2-OE2 2.68Å; R323-E325 PolarHBondContact NH2-OE2 2.92Å
324	L	96.6	Very high	90.3	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	135.8	165.6	179.2	68.7	0	0	0	108.6	V210 A212 C226 F227 I258 E259 V260 V326	V210-L324 HydrophobicContact CG1-CB 4.06Å; V210-L324 HydrophobicContact CG1-CD1 4.32Å; A212-L324 HydrophobicContact CB-CD2 4.19Å; C226-L324 CarbonylContact C-O 3.51Å; C226-L324 VanDerWaalsContact CA-O 3.29Å; C226-L324 WeakPolarHBondContact CA-O 3.5Å; F227-L324 HydrophobicContact CB-CB 4.3Å; F227-L324 HydrophobicContact CD1-CB 4.44Å; F227-L324 HydrophobicContact CD1-CD2 4.35Å; F227-L324 PolarHBondContact N-O 2.75Å; F227-L324 PolarHBondContact O-N 2.98Å; I258-L324 HydrophobicContact CG2-CD1 3.51Å; E259-L324 CarbonylContact O-C 3.54Å; E259-L324 WeakPolarHBondContact O-CA 3.31Å; V260-L324 HydrophobicContact CG2-CD1 3.87Å; L324-V326 HydrophobicContact CD1-CG2 4.26Å; L324-V326 HydrophobicContact CD2-CG2 3.98Å; L324-V326 HydrophobicContact CG-CG2 3.94Å
325	E	95	Very high	90.3	Very high	24 Å²	24	37.2 Å²	37.2	11%	0.112	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118.3	171.8	-177.6	159.9	172	0	0	108.5	W225 I258 E259 F261 R323	W225-E325 CarbonylContact O-C 3.53Å; W225-E325 VanDerWaalsContact O-CA 3.29Å; W225-E325 WeakPolarHBondContact O-CA 3.09Å; I258-E325 CarbonylContact C-O 3.52Å; I258-E325 WeakPolarHBondContact CA-O 3.34Å; E259-E325 HydrophobicContact CB-CB 4.48Å; E259-E325 PolarHBondContact N-O 3.47Å; E259-E325 PolarHBondContact O-N 2.68Å; F261-E325 HydrophobicContact CD2-CB 4.5Å; F261-E325 HydrophobicContact CE2-CB 3.87Å; F261-E325 WeakPolarHBondContact CE2-OE2 3.33Å; R323-E325 IonicContact CZ-OE2 2.9Å; R323-E325 IonicContact NE-OE2 3.42Å; R323-E325 IonicContact NH2-OE2 2.68Å; R323-E325 PolarHBondContact NH2-OE2 2.92Å
326	V	95	Very high	90.4	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.8	177.9	-175.8	0	0	0	0	108.5	W225 V255 I258 L324 Y328	W225-V326 PolarHBondContact N-O 3.19Å; W225-V326 PolarHBondContact O-N 3.32Å; V255-V326 HydrophobicContact CG1-CG1 3.94Å; I258-V326 HydrophobicContact CG1-CG1 4.32Å; I258-V326 HydrophobicContact CG2-CG2 4.28Å; L324-V326 HydrophobicContact CD1-CG2 4.26Å; L324-V326 HydrophobicContact CD2-CG2 3.98Å; L324-V326 HydrophobicContact CG-CG2 3.94Å; V326-Y328 HydrophobicContact CB-CE2 4.12Å; V326-Y328 HydrophobicContact CG1-CD1 4.08Å; V326-Y328 HydrophobicContact CG1-CD2 4.36Å; V326-Y328 HydrophobicContact CG1-CE1 3.57Å; V326-Y328 HydrophobicContact CG1-CE2 3.88Å; V326-Y328 HydrophobicContact CG1-CG 4.46Å; V326-Y328 VanDerWaalsContact CG1-CZ 3.44Å
327	H	92.5	Very high	90.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	115.7	173.5	176.1	-130	0	0	0	110.5	T222 T223 Y224 H256 H257 E437	T222-H327 WeakPolarHBondContact CG2-NE2 3.28Å; T223-H327 WeakPolarHBondContact O-CA 3.45Å; T223-H327 PolarHBondContact O-CD2 2.64Å; Y224-H327 HydrophobicContact CD1-CB 3.89Å; Y224-H327 HydrophobicContact CE1-CB 3.8Å; Y224-H327 AromaticContact CE1-CD2 3.72Å; Y224-H327 AromaticContact CE1-CG 3.63Å; Y224-H327 AromaticContact CE2-CD2 3.69Å; Y224-H327 AromaticContact CZ-CD2 3.53Å; Y224-H327 AromaticContact CZ-CG 3.8Å; Y224-H327 AromaticContact CZ-NE2 3.89Å; H256-H327 PolarHBondContact N-O 2.96Å; H256-H327 AromaticContact ND1-CE1 3.92Å; H256-H327 AromaticContact ND1-ND1 3.8Å; H257-H327 VanDerWaalsContact CD2-CB 3.49Å; H257-H327 WeakPolarHBondContact CD2-CB 3.39Å; H257-H327 WeakPolarHBondContact CE1-CB 3.46Å; H257-H327 AromaticContact CE1-CG 3.35Å; H257-H327 AromaticContact CE1-ND1 3.08Å; H257-H327 PolarHBondContact CE1-ND1 2.8Å; H257-H327 AromaticContact ND1-CG 3.72Å; H257-H327 AromaticContact ND1-ND1 3.16Å; H257-H327 PolarHBondContact ND1-ND1 2.69Å; H257-H327 VanDerWaalsContact ND1-ND1 3.16Å; H257-H327 WeakPolarHBondContact NE2-CB 3.41Å; H257-H327 AromaticContact NE2-CG 3.76Å; H257-H327 AromaticContact NE2-ND1 3.93Å; H257-H327 PolarHBondContact O-N 2.67Å; H327-E437 IonicContact CE1-OE2 2.86Å; H327-E437 PolarHBondContact CE1-OE2 3.37Å; H327-E437 IonicContact ND1-OE2 4Å; H327-E437 IonicContact NE2-OE2 3.64Å
328	Y	91.9	Very high	91.6	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.5	174.5	-57.5	-72.7	0	0	0	110.1	V215 I217 T222 T223 W225 I254 V255 V326 D339	V215-Y328 HydrophobicContact CG2-CE2 4.35Å; V215-Y328 VanDerWaalsContact CG2-OH 3.28Å; V215-Y328 WeakPolarHBondContact CG2-OH 3.37Å; I217-Y328 HydrophobicContact CD1-CD1 3.87Å; I217-Y328 HydrophobicContact CD1-CE1 3.94Å; I217-Y328 HydrophobicContact CG1-CD1 4.08Å; I217-Y328 HydrophobicContact CG1-CE1 3.97Å; I217-Y328 HydrophobicContact CG1-CG 4.48Å; I217-Y328 HydrophobicContact CG2-CD1 4.16Å; I217-Y328 HydrophobicContact CG2-CD2 4.27Å; I217-Y328 HydrophobicContact CG2-CG 3.86Å; T222-Y328 WeakPolarHBondContact CA-O 3.49Å; T223-Y328 HydrophobicContact CG2-CD2 4.43Å; T223-Y328 PolarHBondContact N-O 3.37Å; T223-Y328 PolarHBondContact O-N 3.4Å; W225-Y328 HydrophobicContact CB-CD2 4.3Å; W225-Y328 HydrophobicContact CB-CE2 3.75Å; W225-Y328 HydrophobicContact CG-CE2 4.38Å; I254-Y328 HydrophobicContact CG2-CD1 4.05Å; I254-Y328 WeakPolarHBondContact O-CA 3.47Å; V255-Y328 HydrophobicContact CG2-CD1 3.99Å; V255-Y328 HydrophobicContact CG2-CE1 3.79Å; V326-Y328 HydrophobicContact CB-CE2 4.12Å; V326-Y328 HydrophobicContact CG1-CD1 4.08Å; V326-Y328 HydrophobicContact CG1-CD2 4.36Å; V326-Y328 HydrophobicContact CG1-CE1 3.57Å; V326-Y328 HydrophobicContact CG1-CE2 3.88Å; V326-Y328 HydrophobicContact CG1-CG 4.46Å; V326-Y328 VanDerWaalsContact CG1-CZ 3.44Å; Y328-D339 HydrophobicContact CE1-CB 3.96Å; Y328-D339 WeakPolarHBondContact CE1-OD2 3.32Å; Y328-D339 PolarHBondContact OH-OD2 2.84Å
329	H	88.3	Confident	92.2	Very high	46 Å²	46	36.4 Å²	36.4	21%	0.213	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	106.5	167.7	-174.3	53.6	0	0	0	109.1	E221 I254 H256 P331	E221-H329 CarbonylContact O-C 3.53Å; E221-H329 WeakPolarHBondContact O-CA 3.27Å; E221-H329 PolarHBondContact O-ND1 2.85Å; E221-H329 IonicContact OE1-CE1 3.57Å; I254-H329 WeakPolarHBondContact CA-O 3.29Å; I254-H329 PolarHBondContact O-N 2.98Å; H256-H329 HydrophobicContact CB-CB 3.92Å; H329-P331 VanDerWaalsContact O-CD 3.25Å; H329-P331 WeakPolarHBondContact O-CD 3.38Å
330	N	89.5	Confident	92.6	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.011	21%	0.209	C	C	.	.			trans	-119.6	68	-174.1	-176.2	18.2	0	0	0	110.7	E221 I254 L332 L333 I334	E221-N330 PolarHBondContact O-N 3.48Å; I254-N330 HydrophobicContact CG2-CB 4.33Å; N330-L332 PolarHBondContact O-N 3.26Å; N330-L332 VanDerWaalsContact O-N 3.15Å; N330-L333 PolarHBondContact O-N 2.91Å; N330-L333 PolarHBondContact OD1-N 2.89Å; N330-I334 PolarHBondContact ND2-N 3.37Å; N330-I334 VanDerWaalsContact ND2-N 3.19Å; N330-I334 PolarHBondContact ND2-O 2.75Å; N330-I334 PolarHBondContact OD1-N 3Å
331	P	85.5	Confident	92.9	Very high	57 Å²	57	34.7 Å²	34.7	37%	0.37	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.1	-175.3	26.7	-35.7	0	0	0	113.1	P49 H329 L333	P49-P331 HydrophobicContact CG-CG 4.1Å; H329-P331 VanDerWaalsContact O-CD 3.25Å; H329-P331 WeakPolarHBondContact O-CD 3.38Å; P331-L333 VanDerWaalsContact C-N 3.33Å
332	L	87.5	Confident	93.1	Very high	94 Å²	94	33.8 Å²	33.8	49%	0.492	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	3.3	177.2	-60.8	-175.2	0	0	0	113.5	P49 L50 N330 I334	P49-L332 HydrophobicContact CB-CD1 3.95Å; P49-L332 HydrophobicContact CB-CG 4.49Å; P49-L332 HydrophobicContact CG-CD1 4.3Å; P49-L332 HydrophobicContact CG-CG 4.44Å; L50-L332 HydrophobicContact CD2-CD1 4.28Å; L50-L332 HydrophobicContact CG-CD1 4.28Å; N330-L332 PolarHBondContact O-N 3.26Å; N330-L332 VanDerWaalsContact O-N 3.15Å; L332-I334 HydrophobicContact CB-CD1 3.97Å; L332-I334 HydrophobicContact CB-CG1 3.77Å; L332-I334 HydrophobicContact CD1-CD1 4.33Å; L332-I334 PolarHBondContact O-N 3Å; L332-I334 VanDerWaalsContact O-N 3.14Å
333	L	91.4	Very high	93.3	Very high	87 Å²	87	33.8 Å²	33.8	46%	0.455	19%	0.192	S	C	.	.			trans	54.3	37.7	174.9	-65.1	-172.4	0	0	0	112.8	N219 N330 P331 S335	N219-L333 VanDerWaalsContact OD1-C 3.25Å; N219-L333 VanDerWaalsContact OD1-CA 3.23Å; N219-L333 WeakPolarHBondContact OD1-CA 3.23Å; N219-L333 WeakPolarHBondContact OD1-CB 3.18Å; N219-L333 PolarHBondContact OD1-O 2.91Å; N330-L333 PolarHBondContact O-N 2.91Å; N330-L333 PolarHBondContact OD1-N 2.89Å; P331-L333 VanDerWaalsContact C-N 3.33Å; L333-S335 PolarHBondContact O-N 2.72Å
334	I	89.7	Confident	93.4	Very high	42 Å²	42	36.3 Å²	36.3	22%	0.215	20%	0.202	C	C	.	.			trans	-70	124.7	-175.8	-57.9	171.6	0	0	0	108.5	I254 N330 L332 R337	I254-I334 HydrophobicContact CD1-CD1 4.42Å; N330-I334 PolarHBondContact ND2-N 3.37Å; N330-I334 VanDerWaalsContact ND2-N 3.19Å; N330-I334 PolarHBondContact ND2-O 2.75Å; N330-I334 PolarHBondContact OD1-N 3Å; L332-I334 HydrophobicContact CB-CD1 3.97Å; L332-I334 HydrophobicContact CB-CG1 3.77Å; L332-I334 HydrophobicContact CD1-CD1 4.33Å; L332-I334 PolarHBondContact O-N 3Å; L332-I334 VanDerWaalsContact O-N 3.14Å; I334-R337 HydrophobicContact CG2-CG 3.83Å
335	S	92.3	Very high	93.4	Very high	77 Å²	77	36.3 Å²	36.3	54%	0.538	20%	0.201	S	C	.	.			trans	-100.6	154.1	-178	-64.7	0	0	0	0	112.3	N219 L333 R337	N219-S335 VanDerWaalsContact CG-OG 3.32Å; N219-S335 PolarHBondContact ND2-OG 2.91Å; L333-S335 PolarHBondContact O-N 2.72Å; S335-R337 PolarHBondContact O-N 3.15Å
336	G	92.1	Very high	93.5	Very high	54 Å²	54	36.1 Å²	36.1	56%	0.557	20%	0.201	S	C	*	.	S	Bend	trans	73.3	9.5	173.9	0	0	0	0	0	115
337	R	91.8	Very high	93.6	Very high	66 Å²	66	38 Å²	38	25%	0.249	21%	0.208	C	C	.	.			trans	-74	128.7	172	-86.2	-171.3	160	165.9	-7.8	110.3	I216 I217 I334 S335	I216-R337 WeakPolarHBondContact CA-O 3.12Å; I217-R337 HydrophobicContact CD1-CB 4.11Å; I217-R337 HydrophobicContact CG1-CB 4.45Å; I217-R337 PolarHBondContact N-O 2.79Å; I334-R337 HydrophobicContact CG2-CG 3.83Å; S335-R337 PolarHBondContact O-N 3.15Å
338	H	95.9	Very high	93.8	Very high	93 Å²	93	38.2 Å²	38.2	43%	0.431	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	144.5	174.6	-77.9	-94.2	0	0	0	110.3	N214 V215 I216 N251	N214-H338 WeakPolarHBondContact OD1-CB 3.22Å; N214-H338 PolarHBondContact OD1-ND1 3.04Å; V215-H338 CarbonylContact O-C 3.6Å; V215-H338 VanDerWaalsContact O-CA 3.31Å; V215-H338 WeakPolarHBondContact O-CA 3.49Å; I216-H338 VanDerWaalsContact CG1-CE1 3.49Å; I216-H338 WeakPolarHBondContact CG1-CE1 3.25Å; N251-H338 PolarHBondContact ND2-O 3.49Å
339	D	97.3	Very high	93.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	134.5	-179.5	-170.9	70	0	0	0	112.2	N214 V215 I217 T248 N251 Y328 S341	N214-D339 CarbonylContact C-O 3.58Å; N214-D339 WeakPolarHBondContact CA-O 3.35Å; N214-D339 PolarHBondContact N-O 3.48Å; V215-D339 HydrophobicContact CG2-CB 4.1Å; V215-D339 PolarHBondContact N-O 2.77Å; V215-D339 PolarHBondContact O-N 3.2Å; I217-D339 HydrophobicContact CD1-CB 3.97Å; I217-D339 HydrophobicContact CG1-CB 3.82Å; T248-D339 WeakPolarHBondContact CB-OD1 3.46Å; T248-D339 PolarHBondContact OG1-OD1 3.35Å; T248-D339 VanDerWaalsContact OG1-OD1 3.13Å; N251-D339 PolarHBondContact ND2-OD1 2.88Å; Y328-D339 HydrophobicContact CE1-CB 3.96Å; Y328-D339 WeakPolarHBondContact CE1-OD2 3.32Å; Y328-D339 PolarHBondContact OH-OD2 2.84Å; D339-S341 VanDerWaalsContact CG-OG 3.29Å; D339-S341 WeakPolarHBondContact OD1-CB 3.5Å; D339-S341 PolarHBondContact OD1-OG 2.04Å; D339-S341 WeakPolarHBondContact OD2-CB 3.29Å; D339-S341 PolarHBondContact OD2-N 2.87Å; D339-S341 PolarHBondContact OD2-OG 2.74Å
340	S	97.6	Very high	94.3	Very high	41 Å²	41	44.7 Å²	44.7	29%	0.287	24%	0.242	S	C	.	.			trans	-127.2	37	168.3	-55.7	0	0	0	0	110.5	A212 N214 T248	A212-S340 WeakPolarHBondContact O-CA 3.44Å; N214-S340 VanDerWaalsContact CA-OG 3.24Å; N214-S340 WeakPolarHBondContact CA-OG 3.29Å; N214-S340 PolarHBondContact N-OG 2.85Å; T248-S340 PolarHBondContact OG1-N 3.12Å
341	S	97.8	Very high	94.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.262	C	S	.	.			trans	-75.3	158	-178.3	-59	0	0	0	0	111.3	A212 V246 T248 D339	A212-S341 PolarHBondContact N-O 2.96Å; V246-S341 CarbonylContact O-C 3.49Å; V246-S341 WeakPolarHBondContact O-CA 3.19Å; V246-S341 WeakPolarHBondContact O-CB 3.35Å; T248-S341 PolarHBondContact N-OG 3.48Å; T248-S341 PolarHBondContact OG1-N 2.74Å; T248-S341 PolarHBondContact OG1-OG 2.83Å; D339-S341 VanDerWaalsContact CG-OG 3.29Å; D339-S341 WeakPolarHBondContact OD1-CB 3.5Å; D339-S341 PolarHBondContact OD1-OG 2.04Å; D339-S341 WeakPolarHBondContact OD2-CB 3.29Å; D339-S341 PolarHBondContact OD2-N 2.87Å; D339-S341 PolarHBondContact OD2-OG 2.74Å
342	G	97.3	Very high	95.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.4	-151.9	-179.7	0	0	0	0	0	112.8	V210 V246 I258	V210-G342 VanDerWaalsContact O-CA 3.29Å; V210-G342 WeakPolarHBondContact O-CA 3.41Å; V246-G342 PolarHBondContact N-O 3.04Å; V246-G342 PolarHBondContact O-N 3.01Å; I258-G342 WeakPolarHBondContact CD1-O 3.47Å
343	I	97.9	Very high	95.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.2	-179.3	-75.2	171.9	0	0	0	110.1	V210 Y243 E244 I258 V260 A294 W296 L345	V210-I343 PolarHBondContact N-O 3.47Å; V210-I343 PolarHBondContact O-N 3.18Å; Y243-I343 HydrophobicContact CD2-CG2 4.31Å; Y243-I343 HydrophobicContact CG-CG2 4.45Å; E244-I343 WeakPolarHBondContact O-CA 3.08Å; I258-I343 HydrophobicContact CB-CD1 4.14Å; I258-I343 HydrophobicContact CB-CG1 4.27Å; I258-I343 HydrophobicContact CG2-CD1 3.8Å; I258-I343 HydrophobicContact CG2-CG1 3.82Å; V260-I343 HydrophobicContact CG2-CB 3.94Å; V260-I343 HydrophobicContact CG2-CD1 4.01Å; V260-I343 HydrophobicContact CG2-CG1 4.41Å; V260-I343 HydrophobicContact CG2-CG2 4.43Å; A294-I343 HydrophobicContact CB-CD1 3.9Å; A294-I343 HydrophobicContact CB-CG2 4.04Å; W296-I343 HydrophobicContact CB-CD1 4.21Å; I343-L345 HydrophobicContact CG2-CD2 3.73Å; I343-L345 HydrophobicContact CG2-CG 4.44Å
344	R	97.9	Very high	95.8	Very high	77 Å²	77	52 Å²	52	29%	0.291	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	122.2	168.3	172.9	171.2	-68.1	152.2	7.3	109.7	T207 D209 Y243 E244 V246	T207-R344 HydrophobicContact CG2-CG 4.28Å; D209-R344 WeakPolarHBondContact OD1-CB 3.06Å; D209-R344 VanDerWaalsContact OD1-CG 3.25Å; D209-R344 WeakPolarHBondContact OD1-CG 3.33Å; D209-R344 IonicContact OD1-CZ 3.82Å; D209-R344 IonicContact OD1-NE 3.17Å; D209-R344 PolarHBondContact OD1-NE 2.93Å; D209-R344 IonicContact OD1-NH2 2.62Å; D209-R344 IonicContact OD2-CZ 3.05Å; D209-R344 IonicContact OD2-NE 2.82Å; D209-R344 IonicContact OD2-NH2 2.69Å; D209-R344 PolarHBondContact OD2-NH2 2.05Å; Y243-R344 VanDerWaalsContact CA-O 3.25Å; Y243-R344 WeakPolarHBondContact CA-O 3.19Å; Y243-R344 WeakPolarHBondContact CB-O 3.33Å; E244-R344 HydrophobicContact CG-CB 4.06Å; E244-R344 HydrophobicContact CG-CG 4.49Å; E244-R344 PolarHBondContact N-O 3.47Å; E244-R344 PolarHBondContact O-N 3.2Å; V246-R344 HydrophobicContact CG2-CB 3.57Å
345	L	97.3	Very high	96.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	127.8	174.6	-57	-179.2	0	0	0	109.6	T207 M208 V210 I240 A294 I313 L322 I343	T207-L345 CarbonylContact C-O 3.57Å; T207-L345 VanDerWaalsContact CA-O 3.3Å; T207-L345 WeakPolarHBondContact CA-O 3.44Å; M208-L345 HydrophobicContact CE-CD1 3.69Å; M208-L345 PolarHBondContact N-O 3.49Å; M208-L345 PolarHBondContact O-N 3.31Å; V210-L345 HydrophobicContact CG2-CD1 4.15Å; V210-L345 HydrophobicContact CG2-CG 4.48Å; I240-L345 HydrophobicContact CD1-CD1 4.05Å; I240-L345 HydrophobicContact CD1-CD2 4.48Å; I240-L345 HydrophobicContact CG2-CD2 4.47Å; A294-L345 HydrophobicContact CB-CD2 4.25Å; I313-L345 HydrophobicContact CD1-CD1 4.39Å; L322-L345 HydrophobicContact CD1-CD1 4.48Å; I343-L345 HydrophobicContact CG2-CD2 3.73Å; I343-L345 HydrophobicContact CG2-CG 4.44Å
346	H	97.5	Very high	96.3	Very high	20 Å²	20	48.5 Å²	48.5	9%	0.093	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	115.2	173.2	-71.2	-106.1	0	0	0	108.8	L201 V205 K206 I240 V241 M242 E244	L201-H346 HydrophobicContact CD1-CB 4.23Å; V205-H346 HydrophobicContact CG1-CB 3.7Å; K206-H346 CarbonylContact O-C 3.52Å; K206-H346 WeakPolarHBondContact O-CA 3.33Å; I240-H346 WeakPolarHBondContact CA-O 3.3Å; V241-H346 WeakPolarHBondContact CG2-O 3.36Å; V241-H346 PolarHBondContact N-O 3.45Å; M242-H346 HydrophobicContact CB-CB 3.96Å; M242-H346 HydrophobicContact CE-CB 4.48Å; M242-H346 WeakPolarHBondContact CE-CD2 3.28Å; M242-H346 VanDerWaalsContact CE-CE1 3.47Å; M242-H346 WeakPolarHBondContact CE-CE1 3.49Å; M242-H346 WeakPolarHBondContact CE-NE2 3.4Å; M242-H346 PolarHBondContact N-O 2.8Å; M242-H346 WeakPolarHBondContact O-CB 3.42Å; M242-H346 PolarHBondContact O-N 3.3Å; M242-H346 HydrophobicContact SD-CB 4.35Å; M242-H346 PolarHBondContact SD-CD2 2.83Å; E244-H346 IonicContact OE1-CD2 3.2Å; E244-H346 IonicContact OE1-CE1 2.66Å; E244-H346 PolarHBondContact OE1-CE1 3.16Å; E244-H346 IonicContact OE1-NE2 3.58Å; E244-H346 PolarHBondContact OE1-NE2 2.98Å
347	Y	96.7	Very high	96.3	Very high	40 Å²	40	46 Å²	46	16%	0.157	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	154.7	-172.4	69.6	-85.3	0	0	0	113	K206 M208 M235 N238 H239	K206-Y347 HydrophobicContact CB-CD1 4.46Å; K206-Y347 HydrophobicContact CB-CD2 4.44Å; K206-Y347 HydrophobicContact CB-CE1 3.92Å; K206-Y347 HydrophobicContact CB-CE2 3.94Å; K206-Y347 HydrophobicContact CD-CE2 4.25Å; K206-Y347 PolarHBondContact N-O 3.08Å; K206-Y347 WeakPolarHBondContact O-CD1 3.13Å; K206-Y347 PolarHBondContact O-N 3.22Å; M208-Y347 HydrophobicContact CB-CD1 4.27Å; M208-Y347 HydrophobicContact CB-CE1 3.72Å; M235-Y347 HydrophobicContact CE-CD2 4.02Å; M235-Y347 HydrophobicContact CE-CE2 3.83Å; M235-Y347 HydrophobicContact CE-CG 4.42Å; N238-Y347 HydrophobicContact CB-CD2 3.75Å; N238-Y347 HydrophobicContact CB-CG 4.49Å; H239-Y347 CarbonylContact O-C 3.59Å; H239-Y347 WeakPolarHBondContact O-CA 3.33Å; H239-Y347 WeakPolarHBondContact O-CB 3.34Å
348	T	96.2	Very high	96.4	Very high	6 Å²	6	44.2 Å²	44.2	4%	0.037	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	149.6	179.6	-176.7	0	0	0	0	111.7	N238 H239 V241 N350	N238-T348 CarbonylContact C-O 3.35Å; N238-T348 VanDerWaalsContact CA-O 3.31Å; N238-T348 WeakPolarHBondContact CA-O 3.41Å; N238-T348 WeakPolarHBondContact CB-O 3.19Å; N238-T348 PolarHBondContact OD1-O 3.44Å; H239-T348 HydrophobicContact CB-CG2 4.38Å; H239-T348 PolarHBondContact N-O 2.86Å; H239-T348 PolarHBondContact O-N 3.13Å; V241-T348 HydrophobicContact CG1-CG2 3.83Å; T348-N350 WeakPolarHBondContact CG2-O 3.06Å; T348-N350 PolarHBondContact OG1-N 2.64Å; T348-N350 VanDerWaalsContact OG1-N 3.11Å
349	H	95.4	Very high	96.3	Very high	99 Å²	99	39.9 Å²	39.9	46%	0.458	18%	0.181	S	C	.	.	S	Bend	trans	-84.2	-17.3	172	62.5	-79.5	0	0	0	111.8	N238 L351	N238-H349 WeakPolarHBondContact OD1-CA 3.46Å; N238-H349 PolarHBondContact OD1-N 3.27Å; H349-L351 VanDerWaalsContact C-N 3.34Å; H349-L351 PolarHBondContact O-N 3.22Å
350	N	95.2	Very high	96.2	Very high	83 Å²	83	40 Å²	40	44%	0.444	18%	0.182	S	C	.	.	S	Bend	trans	-77	86.6	171.7	-69.9	-22.7	0	0	0	108.7	E204 T348 R352	E204-N350 WeakPolarHBondContact CG-ND2 3.34Å; E204-N350 PolarHBondContact OE1-ND2 2.91Å; T348-N350 WeakPolarHBondContact CG2-O 3.06Å; T348-N350 PolarHBondContact OG1-N 2.64Å; T348-N350 VanDerWaalsContact OG1-N 3.11Å; N350-R352 PolarHBondContact O-N 2.79Å
351	L	95.9	Very high	96.2	Very high	83 Å²	83	38.1 Å²	38.1	44%	0.435	17%	0.169	S	C	.	.			trans	-59.4	129.8	-176.5	-53.1	-176.3	0	0	0	110.5	K237 H239 H349	K237-L351 HydrophobicContact CD-CD1 4.08Å; K237-L351 HydrophobicContact CG-CD1 4.46Å; K237-L351 HydrophobicContact CG-CD2 4.4Å; H239-L351 HydrophobicContact CB-CD2 4.45Å; H349-L351 VanDerWaalsContact C-N 3.34Å; H349-L351 PolarHBondContact O-N 3.22Å
352	R	95.8	Very high	96.2	Very high	51 Å²	51	38.2 Å²	38.2	19%	0.192	17%	0.169	C	C	.	.			trans	-66	167.8	169.4	-68.1	177	170.5	179.6	-1.2	110	H239 V241 Y305 P306 P307 A309 N350 Y354	H239-R352 PolarHBondContact CE1-N 2.93Å; H239-R352 PolarHBondContact CE1-O 2.96Å; H239-R352 PolarHBondContact ND1-N 2.81Å; V241-R352 VanDerWaalsContact CG1-CZ 3.49Å; Y305-R352 VanDerWaalsContact C-NH1 3.33Å; Y305-R352 PolarHBondContact O-NH1 2.94Å; P306-R352 PolarHBondContact O-NH1 3.37Å; P307-R352 VanDerWaalsContact O-CD 3.24Å; P307-R352 WeakPolarHBondContact O-CD 3.14Å; P307-R352 PolarHBondContact O-NE 3.2Å; A309-R352 VanDerWaalsContact C-CD 3.4Å; A309-R352 WeakPolarHBondContact O-CD 3.43Å; A309-R352 PolarHBondContact O-NH1 3.37Å; N350-R352 PolarHBondContact O-N 2.79Å; R352-Y354 PolarHBondContact O-N 3.12Å
353	R	97.2	Very high	96.2	Very high	190 Å²	190	38.6 Å²	38.6	72%	0.717	17%	0.171	S	C	*	.	S	Bend	trans	-55.4	-38.1	-174.1	-176.1	175.4	-178.3	178.3	-0.2	113.1	D308	D308-R353 PolarHBondContact O-N 3.08Å
354	Y	97.6	Very high	96	Very high	69 Å²	69	39.6 Å²	39.6	27%	0.271	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.9	-177.2	-58	-65.2	0	0	0	111.9	H239 D308 A309 G310 R352 Y489 P490	H239-Y354 PolarHBondContact CE1-O 3.16Å; D308-Y354 HydrophobicContact CB-CD2 4.08Å; D308-Y354 HydrophobicContact CB-CE2 4.46Å; D308-Y354 PolarHBondContact O-N 2.92Å; A309-Y354 VanDerWaalsContact CA-O 3.25Å; A309-Y354 WeakPolarHBondContact CA-O 3.26Å; G310-Y354 PolarHBondContact N-O 2.66Å; G310-Y354 VanDerWaalsContact N-O 3.16Å; R352-Y354 PolarHBondContact O-N 3.12Å; Y354-Y489 AromaticContact CD2-CD2 3.71Å; Y354-Y489 HydrophobicContact CD2-CD2 3.71Å; Y354-Y489 HydrophobicContact CD2-CE2 4.13Å; Y354-Y489 HydrophobicContact CE2-CD2 4.31Å; Y354-Y489 HydrophobicContact CE2-CE2 4.43Å; Y354-Y489 HydrophobicContact CG-CD2 4.13Å; Y354-P490 HydrophobicContact CD1-CB 3.82Å; Y354-P490 HydrophobicContact CE1-CB 4.37Å; Y354-P490 HydrophobicContact CG-CB 4.41Å
355	D	96	Very high	95.6	Very high	45 Å²	45	37.6 Å²	37.6	24%	0.241	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	131.3	159.2	-69.7	-20.9	0	0	0	107.8	K237 H239 R491	K237-D355 WeakPolarHBondContact CE-OD1 3.45Å; K237-D355 IonicContact NZ-OD1 2.73Å; K237-D355 PolarHBondContact NZ-OD1 3.36Å; K237-D355 IonicContact NZ-OD2 3.57Å; K237-D355 PolarHBondContact NZ-OD2 2.86Å; H239-D355 IonicContact CD2-OD1 2.82Å; H239-D355 IonicContact CE1-OD1 3.53Å; H239-D355 IonicContact NE2-OD1 3.64Å; H239-D355 PolarHBondContact NE2-OD1 2.98Å; D355-R491 HydrophobicContact CB-CB 3.8Å; D355-R491 WeakPolarHBondContact O-CB 3.31Å; D355-R491 PolarHBondContact O-N 3.3Å
356	A	96.2	Very high	95.3	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.008	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	143.8	165.5	0	0	0	0	0	109.8	Y305 A309 G310 L311 F401 Y488	Y305-A356 HydrophobicContact CD1-CB 4.04Å; Y305-A356 HydrophobicContact CE1-CB 3.94Å; A309-A356 HydrophobicContact CB-CB 4.36Å; G310-A356 PolarHBondContact O-N 3.39Å; L311-A356 HydrophobicContact CB-CB 4.49Å; A356-F401 HydrophobicContact CB-CE1 4.32Å; A356-F401 HydrophobicContact CB-CZ 4.19Å; A356-Y488 CarbonylContact C-O 3.58Å; A356-Y488 VanDerWaalsContact CA-O 3.32Å; A356-Y488 WeakPolarHBondContact CA-O 3.47Å
357	G	92.8	Very high	95.1	Very high	3 Å²	3	39.8 Å²	39.8	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	162.8	173.1	0	0	0	0	0	111.3	H487 Y488	G357-H487 WeakPolarHBondContact O-CA 3.46Å; G357-Y488 PolarHBondContact N-O 2.8Å; G357-Y488 WeakPolarHBondContact O-CD1 3.35Å; G357-Y488 PolarHBondContact O-N 3.2Å
358	I	92.8	Very high	95	Very high	27 Å²	27	38.3 Å²	38.3	14%	0.138	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.1	173.8	-51.9	-178.3	0	0	0	106.7	V292 L311 Y485 I486	V292-I358 WeakPolarHBondContact O-CD1 3.04Å; L311-I358 HydrophobicContact CD1-CD1 4.41Å; L311-I358 HydrophobicContact CD1-CG1 4.4Å; L311-I358 HydrophobicContact CD2-CD1 4.19Å; I358-Y485 HydrophobicContact CG2-CD1 4.25Å; I358-I486 WeakPolarHBondContact CA-O 3.15Å
359	M	94.2	Very high	95.1	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	133.4	177.7	178.5	-171.6	-46.3	0	0	109.8	L361 L393 I398 Y485 I486 Y488 L494 E495 C497	M359-L361 HydrophobicContact CG-CD2 4.11Å; M359-L361 HydrophobicContact SD-CD2 3.84Å; M359-L393 HydrophobicContact CE-CD2 4.29Å; M359-I398 HydrophobicContact CE-CD1 3.9Å; M359-Y485 WeakPolarHBondContact O-CA 3.43Å; M359-I486 HydrophobicContact CB-CD1 4.18Å; M359-I486 HydrophobicContact CB-CG1 3.83Å; M359-I486 PolarHBondContact N-O 2.84Å; M359-I486 WeakPolarHBondContact O-CG1 3.48Å; M359-I486 PolarHBondContact O-N 3.28Å; M359-I486 HydrophobicContact SD-CD1 4.15Å; M359-Y488 HydrophobicContact CB-CD1 4.18Å; M359-Y488 HydrophobicContact CB-CE1 3.64Å; M359-Y488 HydrophobicContact CE-CE1 3.88Å; M359-L494 HydrophobicContact CE-CB 3.96Å; M359-L494 HydrophobicContact CE-CD2 3.54Å; M359-L494 HydrophobicContact CE-CG 3.72Å; M359-L494 HydrophobicContact CG-CG 4.42Å; M359-L494 HydrophobicContact SD-CD2 3.63Å; M359-L494 HydrophobicContact SD-CG 3.9Å; M359-E495 CarbonylContact C-O 3.49Å; M359-E495 WeakPolarHBondContact CA-O 2.81Å; M359-C497 HydrophobicContact CG-CB 4.42Å; M359-C497 HydrophobicContact SD-CB 4.02Å
360	E	94.3	Very high	95.2	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.019	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121.3	175.9	-51.1	-171.6	-154.2	0	0	110.6	R290 Y365 V483 Y485 E495 C497 K498	R290-E360 IonicContact NE-OE1 3.83Å; E360-Y365 PolarHBondContact OE2-OH 3.05Å; E360-V483 HydrophobicContact CB-CG1 4.42Å; E360-Y485 HydrophobicContact CB-CE1 4.5Å; E360-Y485 HydrophobicContact CG-CD1 3.76Å; E360-Y485 HydrophobicContact CG-CE1 3.54Å; E360-E495 PolarHBondContact N-O 3.47Å; E360-C497 PolarHBondContact O-N 3.26Å; E360-K498 VanDerWaalsContact OE2-CE 3.25Å; E360-K498 WeakPolarHBondContact OE2-CE 3.33Å; E360-K498 IonicContact OE2-NZ 3.88Å; E360-K498 PolarHBondContact OE2-NZ 2.56Å
361	L	97.9	Very high	95.4	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	156.7	173.5	-52.3	177.9	0	0	0	110.4	M359 C384 T416 L456 V483 N484 I486 C497	M359-L361 HydrophobicContact CG-CD2 4.11Å; M359-L361 HydrophobicContact SD-CD2 3.84Å; L361-C384 HydrophobicContact CD2-CB 4.13Å; L361-T416 HydrophobicContact CD1-CG2 4.04Å; L361-L456 HydrophobicContact CD1-CB 4.19Å; L361-L456 HydrophobicContact CD1-CD1 3.83Å; L361-L456 HydrophobicContact CD1-CG 4.41Å; L361-L456 HydrophobicContact CD2-CD1 3.75Å; L361-L456 HydrophobicContact CG-CD1 4.46Å; L361-V483 WeakPolarHBondContact O-CA 3.23Å; L361-N484 HydrophobicContact CB-CB 4.35Å; L361-N484 PolarHBondContact N-O 2.82Å; L361-N484 PolarHBondContact O-N 2.96Å; L361-I486 HydrophobicContact CD1-CD1 4.03Å; L361-I486 HydrophobicContact CD1-CG1 4.11Å; L361-I486 HydrophobicContact CD1-CG2 3.7Å; L361-I486 HydrophobicContact CD2-CD1 4.47Å; L361-I486 HydrophobicContact CG-CD1 4.39Å; L361-I486 HydrophobicContact CG-CG1 4.24Å; L361-I486 HydrophobicContact CG-CG2 4.48Å; L361-C497 HydrophobicContact CD2-CB 4Å
362	G	97.6	Very high	95.4	Very high	1 Å²	1	26 Å²	26	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	113.5	-133.9	173.1	0	0	0	0	0	114	C482 K498 S499	G362-C482 WeakPolarHBondContact CA-O 3.49Å; G362-K498 WeakPolarHBondContact O-CA 3.24Å; G362-K498 VanDerWaalsContact O-CB 3.26Å; G362-K498 WeakPolarHBondContact O-CB 3.36Å; G362-S499 PolarHBondContact O-N 3.42Å
363	L	97.9	Very high	95.5	Very high	8 Å²	8	24 Å²	24	4%	0.042	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	138.6	-171.6	-66.5	171.7	0	0	0	112.8	M369 L380 T381 C482 K498 S499	L363-M369 HydrophobicContact CD1-CE 4.32Å; L363-M369 HydrophobicContact CD1-CG 4.43Å; L363-M369 HydrophobicContact CD2-CE 3.96Å; L363-M369 HydrophobicContact CD2-CG 4.15Å; L363-M369 HydrophobicContact CD2-SD 4.38Å; L363-L380 HydrophobicContact CD1-CB 3.41Å; L363-L380 VanDerWaalsContact CD1-CB 3.41Å; L363-L380 HydrophobicContact CD1-CD1 3.92Å; L363-L380 HydrophobicContact CD1-CG 4.28Å; L363-T381 WeakPolarHBondContact CD2-O 3.11Å; L363-C482 HydrophobicContact CB-CB 4.03Å; L363-C482 HydrophobicContact CD1-CB 3.63Å; L363-C482 HydrophobicContact CG-CB 3.91Å; L363-C482 PolarHBondContact N-O 2.95Å; L363-K498 WeakPolarHBondContact O-CD 3.34Å; L363-S499 WeakPolarHBondContact CA-O 3.3Å; L363-S499 VanDerWaalsContact CD2-O 3.31Å; L363-S499 WeakPolarHBondContact CD2-O 3.21Å
364	V	93.8	Very high	95.5	Very high	22 Å²	22	20.8 Å²	20.8	13%	0.133	10%	0.104	C	C	.	.			trans	-66.1	143.7	173	-179.2	0	0	0	0	109.8	T366 K498 S499 H579	V364-T366 HydrophobicContact CB-CG2 4.08Å; V364-T366 HydrophobicContact CG1-CG2 4.08Å; V364-T366 PolarHBondContact O-N 3.18Å; V364-K498 HydrophobicContact CG2-CB 3.63Å; V364-S499 PolarHBondContact N-O 2.99Å; V364-H579 HydrophobicContact CG2-CB 3.81Å; V364-H579 VanDerWaalsContact CG2-CG 3.49Å
365	Y	90.4	Very high	95.5	Very high	35 Å²	35	19.8 Å²	19.8	14%	0.137	10%	0.101	C	C	.	.	S	Bend	trans	-76.2	73.7	-179.9	-45.7	-35.1	0	0	0	110.8	E360 F475 M481 V483 K498	E360-Y365 PolarHBondContact OE2-OH 3.05Å; Y365-F475 HydrophobicContact CD2-CD1 4.27Å; Y365-F475 AromaticContact CD2-CE1 3.5Å; Y365-F475 HydrophobicContact CD2-CE1 3.5Å; Y365-F475 VanDerWaalsContact CD2-CE1 3.5Å; Y365-F475 AromaticContact CD2-CZ 3.77Å; Y365-F475 HydrophobicContact CD2-CZ 3.77Å; Y365-F475 HydrophobicContact CE2-CE1 4.19Å; Y365-F475 HydrophobicContact CG-CE1 4.27Å; Y365-F475 HydrophobicContact CG-CZ 4.37Å; Y365-M481 HydrophobicContact CD1-CE 4.02Å; Y365-M481 HydrophobicContact CD1-CG 3.83Å; Y365-M481 HydrophobicContact CD1-SD 3.82Å; Y365-M481 HydrophobicContact CD2-CE 4.13Å; Y365-M481 HydrophobicContact CE1-CB 4.34Å; Y365-M481 HydrophobicContact CE1-CE 4.06Å; Y365-M481 HydrophobicContact CE1-CG 3.81Å; Y365-M481 HydrophobicContact CE1-SD 3.38Å; Y365-M481 WeakPolarHBondContact CE1-SD 3.5Å; Y365-M481 HydrophobicContact CE2-CE 4.15Å; Y365-M481 HydrophobicContact CE2-SD 4.27Å; Y365-M481 HydrophobicContact CG-CE 4.05Å; Y365-M481 HydrophobicContact CG-SD 4.42Å; Y365-V483 HydrophobicContact CE1-CG2 3.55Å; Y365-V483 WeakPolarHBondContact OH-CG2 3.36Å; Y365-K498 VanDerWaalsContact CE1-NZ 3.26Å; Y365-K498 PolarHBondContact OH-NZ 3.25Å
366	T	90.9	Very high	95.5	Very high	27 Å²	27	23.5 Å²	23.5	17%	0.166	12%	0.117	C	C	.	.	S	Bend	trans	-137.2	144.1	-176.9	174.4	0	0	0	0	110.3	V364 V368 M369 G473 H500	V364-T366 HydrophobicContact CB-CG2 4.08Å; V364-T366 HydrophobicContact CG1-CG2 4.08Å; V364-T366 PolarHBondContact O-N 3.18Å; T366-V368 HydrophobicContact CG2-CB 3.96Å; T366-V368 HydrophobicContact CG2-CG2 4.35Å; T366-V368 PolarHBondContact O-N 2.87Å; T366-V368 WeakPolarHBondContact OG1-CG2 3.43Å; T366-V368 PolarHBondContact OG1-N 3.42Å; T366-M369 PolarHBondContact O-N 3.4Å; T366-G473 CarbonylContact C-O 3.56Å; T366-G473 WeakPolarHBondContact O-CA 3.18Å; T366-H500 HydrophobicContact CG2-CB 3.98Å
367	P	92.6	Very high	95.5	Very high	39 Å²	39	26.2 Å²	26.2	25%	0.253	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-3.4	179.1	28.5	-37.2	0	0	0	113.6	M369 V472 G473 V550 T551 Y554	P367-M369 PolarHBondContact O-N 2.76Å; P367-V472 HydrophobicContact CB-CB 4.05Å; P367-V472 HydrophobicContact CB-CG1 4.48Å; P367-V472 HydrophobicContact CB-CG2 4.23Å; P367-G473 WeakPolarHBondContact CA-O 3.28Å; P367-V550 HydrophobicContact CB-CG1 4.43Å; P367-V550 HydrophobicContact CG-CB 4.35Å; P367-V550 WeakPolarHBondContact O-CG1 3.49Å; P367-T551 VanDerWaalsContact CB-OG1 3.27Å; P367-T551 WeakPolarHBondContact CB-OG1 3.19Å; P367-Y554 WeakPolarHBondContact O-CE2 3.25Å
368	V	95.5	Very high	95.8	Very high	9 Å²	9	26.5 Å²	26.5	6%	0.055	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-33.6	175.3	173.8	0	0	0	0	111.8	T366 V501 L506 Y554	T366-V368 HydrophobicContact CG2-CB 3.96Å; T366-V368 HydrophobicContact CG2-CG2 4.35Å; T366-V368 PolarHBondContact O-N 2.87Å; T366-V368 WeakPolarHBondContact OG1-CG2 3.43Å; T366-V368 PolarHBondContact OG1-N 3.42Å; V368-V501 HydrophobicContact CG1-CG1 3.5Å; V368-V501 VanDerWaalsContact CG1-CG1 3.5Å; V368-V501 WeakPolarHBondContact CG1-O 3.39Å; V368-L506 HydrophobicContact CB-CD2 4.27Å; V368-L506 HydrophobicContact CG1-CD2 3.83Å; V368-L506 WeakPolarHBondContact O-CD2 3.21Å; V368-Y554 PolarHBondContact O-OH 3.21Å
369	M	97.4	Very high	96	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.039	15%	0.146	C	C	.	.	S	Bend	trans	-92	134.5	170.7	-53.9	-57.6	-63.3	0	0	109.1	L363 T366 P367 L380 V472 G473 H500 V501 Y571	L363-M369 HydrophobicContact CD1-CE 4.32Å; L363-M369 HydrophobicContact CD1-CG 4.43Å; L363-M369 HydrophobicContact CD2-CE 3.96Å; L363-M369 HydrophobicContact CD2-CG 4.15Å; L363-M369 HydrophobicContact CD2-SD 4.38Å; T366-M369 PolarHBondContact O-N 3.4Å; P367-M369 PolarHBondContact O-N 2.76Å; M369-L380 HydrophobicContact CE-CD2 4.11Å; M369-V472 CarbonylContact O-C 3.57Å; M369-G473 PolarHBondContact O-N 3.34Å; M369-H500 HydrophobicContact CG-CB 3.87Å; M369-H500 HydrophobicContact SD-CB 3.82Å; M369-V501 HydrophobicContact SD-CB 4.14Å; M369-V501 HydrophobicContact SD-CG1 3.86Å; M369-V501 PolarHBondContact SD-N 2.88Å; M369-Y571 HydrophobicContact CE-CD1 3.75Å; M369-Y571 HydrophobicContact CE-CE1 3.77Å; M369-Y571 HydrophobicContact CE-CG 4.16Å; M369-Y571 HydrophobicContact SD-CD1 4.34Å; M369-Y571 HydrophobicContact SD-CE1 4.03Å
370	A	97.6	Very high	96.2	Very high	1 Å²	1	30 Å²	30	1%	0.008	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	151.7	-179.3	0	0	0	0	0	111.8	T471 V472 Y554 Y571	A370-T471 CarbonylContact C-O 3.57Å; A370-T471 VanDerWaalsContact CA-O 3.29Å; A370-T471 WeakPolarHBondContact CA-O 3.39Å; A370-V472 HydrophobicContact CB-CG1 4.03Å; A370-Y554 HydrophobicContact CB-CD1 4.18Å; A370-Y554 HydrophobicContact CB-CD2 3.91Å; A370-Y554 HydrophobicContact CB-CE1 3.88Å; A370-Y554 HydrophobicContact CB-CE2 3.6Å; A370-Y554 HydrophobicContact CB-CG 4.19Å; A370-Y571 PolarHBondContact N-OH 3.26Å; A370-Y571 WeakPolarHBondContact O-CE2 3.33Å; A370-Y571 PolarHBondContact O-OH 2.97Å; A370-Y571 VanDerWaalsContact O-OH 3.05Å
371	I	98.3	Very high	96.4	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.2	174.7	-53.3	152.6	0	0	0	107.1	F378 L380 Y462 T464 P470 T471 E480	I371-F378 HydrophobicContact CB-CD1 4.36Å; I371-F378 HydrophobicContact CG1-CD1 4.24Å; I371-F378 HydrophobicContact CG2-CB 3.74Å; I371-F378 HydrophobicContact CG2-CD1 3.91Å; I371-F378 HydrophobicContact CG2-CG 3.92Å; I371-L380 HydrophobicContact CD1-CD1 4.23Å; I371-L380 HydrophobicContact CG1-CD1 3.8Å; I371-L380 HydrophobicContact CG1-CG 4.2Å; I371-Y462 HydrophobicContact CD1-CD1 3.58Å; I371-Y462 HydrophobicContact CD1-CD2 3.62Å; I371-Y462 HydrophobicContact CD1-CE1 4.08Å; I371-Y462 HydrophobicContact CD1-CE2 4.1Å; I371-Y462 HydrophobicContact CD1-CG 3.33Å; I371-Y462 HydrophobicContact CG1-CD2 4.08Å; I371-Y462 HydrophobicContact CG1-CG 4.19Å; I371-T464 HydrophobicContact CB-CG2 4.19Å; I371-T464 HydrophobicContact CG2-CG2 3.57Å; I371-P470 WeakPolarHBondContact O-CA 3.48Å; I371-T471 HydrophobicContact CD1-CG2 4.43Å; I371-T471 PolarHBondContact N-O 3.22Å; I371-T471 PolarHBondContact O-N 3.1Å; I371-E480 HydrophobicContact CD1-CB 4.15Å; I371-E480 HydrophobicContact CD1-CG 3.85Å
372	P	97.8	Very high	96.4	Very high	1 Å²	1	31 Å²	31	1%	0.006	15%	0.153	C	C	.	.			trans	-56.8	152.9	172.7	-22.3	32.4	0	0	0	111.5	Q375 F378 T464 W559 L567	P372-Q375 HydrophobicContact CB-CG 3.8Å; P372-Q375 HydrophobicContact CG-CG 4.28Å; P372-Q375 WeakPolarHBondContact O-CG 3.5Å; P372-F378 HydrophobicContact CG-CD2 4.2Å; P372-F378 HydrophobicContact CG-CE2 3.83Å; P372-F378 HydrophobicContact CG-CZ 4.26Å; P372-T464 PolarHBondContact O-OG1 2.59Å; P372-W559 HydrophobicContact CB-CD2 4.23Å; P372-W559 HydrophobicContact CB-CE3 3.66Å; P372-W559 HydrophobicContact CB-CZ3 3.85Å; P372-W559 HydrophobicContact CG-CE3 4Å; P372-W559 HydrophobicContact CG-CH2 4.38Å; P372-W559 HydrophobicContact CG-CZ3 3.69Å; P372-L567 HydrophobicContact CG-CD2 4.16Å
373	P	97.4	Very high	96.5	Very high	11 Å²	11	32 Å²	32	7%	0.071	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	161.3	169.7	30.3	-32.8	0	0	0	110.7	Q375 R467 W559	P373-Q375 VanDerWaalsContact C-N 3.28Å; P373-Q375 PolarHBondContact O-N 3.2Å; P373-Q375 PolarHBondContact O-NE2 3.45Å; P373-R467 WeakPolarHBondContact CB-O 3.36Å; P373-W559 VanDerWaalsContact CD-CG 3.47Å; P373-W559 HydrophobicContact CG-CB 3.92Å; P373-W559 HydrophobicContact CG-CG 3.8Å
374	K	96.8	Very high	96.5	Very high	122 Å²	122	31.7 Å²	31.7	53%	0.53	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	27.2	172	-52.9	-56.1	179.7	-172.6	0	115.4	T464 E465 R467	K374-T464 WeakPolarHBondContact CA-O 3.35Å; K374-T464 PolarHBondContact N-O 2.82Å; K374-T464 PolarHBondContact N-OG1 2.94Å; K374-E465 WeakPolarHBondContact CD-O 3.37Å; K374-E465 PolarHBondContact NZ-O 3Å; K374-R467 VanDerWaalsContact CD-O 3.27Å; K374-R467 WeakPolarHBondContact CD-O 3.25Å; K374-R467 WeakPolarHBondContact CE-O 3.07Å; K374-R467 PolarHBondContact NZ-O 2.86Å
375	Q	96.9	Very high	96.7	Very high	47 Å²	47	31 Å²	31	22%	0.22	15%	0.151	C	C	.	.			trans	-92.4	123.3	177.2	-57.3	-59.1	-59.5	0	0	110.3	P372 P373 T377 F378 N463 T464	P372-Q375 HydrophobicContact CB-CG 3.8Å; P372-Q375 HydrophobicContact CG-CG 4.28Å; P372-Q375 WeakPolarHBondContact O-CG 3.5Å; P373-Q375 VanDerWaalsContact C-N 3.28Å; P373-Q375 PolarHBondContact O-N 3.2Å; P373-Q375 PolarHBondContact O-NE2 3.45Å; Q375-T377 VanDerWaalsContact C-N 3.32Å; Q375-F378 HydrophobicContact CB-CB 4.02Å; Q375-F378 HydrophobicContact CG-CB 4.28Å; Q375-F378 HydrophobicContact CG-CD2 4.22Å; Q375-N463 WeakPolarHBondContact O-CA 3.44Å; Q375-T464 WeakPolarHBondContact CB-OG1 3.34Å; Q375-T464 PolarHBondContact N-OG1 3.07Å; Q375-T464 PolarHBondContact O-N 3.43Å
376	H	95.7	Very high	97	Very high	123 Å²	123	31 Å²	31	57%	0.569	16%	0.156	S	C	*	.	S	Bend	trans	-65.9	-39.6	169.7	-176.8	68.2	0	0	0	111.4	N463 E465	H376-N463 PolarHBondContact O-ND2 2.75Å; H376-E465 HydrophobicContact CB-CG 4.34Å; H376-E465 IonicContact CE1-OE2 3.52Å; H376-E465 IonicContact CG-OE2 2.63Å; H376-E465 IonicContact ND1-OE1 3.86Å; H376-E465 IonicContact ND1-OE2 3.56Å; H376-E465 PolarHBondContact ND1-OE2 3.09Å
377	T	97.1	Very high	97.3	Very high	58 Å²	58	32.9 Å²	32.9	36%	0.356	16%	0.162	S	C	.	.	S	Bend	trans	-146.8	121.8	178.9	-59.3	0	0	0	0	109.2	Q375 Y379 T461 Y462	Q375-T377 VanDerWaalsContact C-N 3.32Å; T377-Y379 HydrophobicContact CG2-CE1 4.09Å; T377-Y379 HydrophobicContact CG2-CE2 3.84Å; T377-Y379 WeakPolarHBondContact CG2-OH 3.12Å; T377-T461 HydrophobicContact CG2-CG2 3.74Å; T377-Y462 WeakPolarHBondContact CA-O 3.25Å
378	F	98.1	Very high	97.6	Very high	9 Å²	9	31 Å²	31	4%	0.039	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141.4	172.2	-164.2	-90.2	0	0	0	109.8	I371 P372 Q375 L380 Y462 D568 Y571	I371-F378 HydrophobicContact CB-CD1 4.36Å; I371-F378 HydrophobicContact CG1-CD1 4.24Å; I371-F378 HydrophobicContact CG2-CB 3.74Å; I371-F378 HydrophobicContact CG2-CD1 3.91Å; I371-F378 HydrophobicContact CG2-CG 3.92Å; P372-F378 HydrophobicContact CG-CD2 4.2Å; P372-F378 HydrophobicContact CG-CE2 3.83Å; P372-F378 HydrophobicContact CG-CZ 4.26Å; Q375-F378 HydrophobicContact CB-CB 4.02Å; Q375-F378 HydrophobicContact CG-CB 4.28Å; Q375-F378 HydrophobicContact CG-CD2 4.22Å; F378-L380 HydrophobicContact CD1-CD2 4.12Å; F378-L380 HydrophobicContact CD1-CG 4.43Å; F378-L380 HydrophobicContact CE1-CD2 3.66Å; F378-L380 HydrophobicContact CE1-CG 4.44Å; F378-Y462 PolarHBondContact N-O 2.96Å; F378-Y462 PolarHBondContact O-N 3.41Å; F378-D568 HydrophobicContact CE2-CB 4.1Å; F378-D568 HydrophobicContact CZ-CB 4.22Å; F378-Y571 HydrophobicContact CE1-CD2 4.13Å; F378-Y571 AromaticContact CE1-CE2 3.96Å; F378-Y571 HydrophobicContact CE1-CE2 3.96Å; F378-Y571 HydrophobicContact CZ-CD2 4.15Å; F378-Y571 HydrophobicContact CZ-CE2 4.05Å
379	Y	98.1	Very high	97.7	Very high	98 Å²	98	30.6 Å²	30.6	38%	0.384	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.9	-176.6	-57.7	-75.4	0	0	0	111.2	T377 K459 C460 T461	T377-Y379 HydrophobicContact CG2-CE1 4.09Å; T377-Y379 HydrophobicContact CG2-CE2 3.84Å; T377-Y379 WeakPolarHBondContact CG2-OH 3.12Å; Y379-K459 HydrophobicContact CD1-CD 4.36Å; Y379-K459 HydrophobicContact CD1-CG 4.41Å; Y379-C460 WeakPolarHBondContact CA-O 3.38Å; Y379-T461 HydrophobicContact CD1-CG2 4.03Å; Y379-T461 WeakPolarHBondContact CD1-OG1 3.4Å; Y379-T461 HydrophobicContact CE1-CG2 3.66Å; Y379-T461 VanDerWaalsContact CE1-OG1 3.28Å; Y379-T461 WeakPolarHBondContact CE1-OG1 3.38Å
380	L	98.4	Very high	97.7	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.031	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.8	163	-56.2	175.7	0	0	0	109.6	L363 M369 I371 F378 K459 C460 Y462 Y571	L363-L380 HydrophobicContact CD1-CB 3.41Å; L363-L380 VanDerWaalsContact CD1-CB 3.41Å; L363-L380 HydrophobicContact CD1-CD1 3.92Å; L363-L380 HydrophobicContact CD1-CG 4.28Å; M369-L380 HydrophobicContact CE-CD2 4.11Å; I371-L380 HydrophobicContact CD1-CD1 4.23Å; I371-L380 HydrophobicContact CG1-CD1 3.8Å; I371-L380 HydrophobicContact CG1-CG 4.2Å; F378-L380 HydrophobicContact CD1-CD2 4.12Å; F378-L380 HydrophobicContact CD1-CG 4.43Å; F378-L380 HydrophobicContact CE1-CD2 3.66Å; F378-L380 HydrophobicContact CE1-CG 4.44Å; L380-K459 WeakPolarHBondContact O-CA 3.11Å; L380-C460 PolarHBondContact N-O 2.62Å; L380-C460 PolarHBondContact O-N 2.69Å; L380-Y462 HydrophobicContact CB-CE2 3.91Å; L380-Y462 HydrophobicContact CD1-CD2 4.33Å; L380-Y462 HydrophobicContact CD1-CE2 3.72Å; L380-Y462 HydrophobicContact CG-CD2 4.19Å; L380-Y462 HydrophobicContact CG-CE2 3.79Å; L380-Y571 HydrophobicContact CD2-CD2 3.92Å; L380-Y571 HydrophobicContact CD2-CE2 3.68Å
381	T	98.4	Very high	97.7	Very high	25 Å²	25	40 Å²	40	15%	0.153	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	125.5	-176.6	-50.9	0	0	0	0	110.7	L363 Y383 I457 T458 K459	L363-T381 WeakPolarHBondContact CD2-O 3.11Å; T381-Y383 HydrophobicContact CG2-CD1 4.48Å; T381-Y383 HydrophobicContact CG2-CE1 3.74Å; T381-Y383 HydrophobicContact CG2-CE2 4.11Å; T381-Y383 WeakPolarHBondContact CG2-OH 3.24Å; T381-I457 HydrophobicContact CG2-CG2 3.41Å; T381-I457 VanDerWaalsContact CG2-CG2 3.41Å; T381-T458 WeakPolarHBondContact CA-O 3.2Å; T381-K459 HydrophobicContact CG2-CB 4.4Å
382	G	98.3	Very high	97.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	154.2	172.9	0	0	0	0	0	112.2	T458	G382-T458 PolarHBondContact N-O 2.9Å; G382-T458 PolarHBondContact O-N 3.25Å
383	Y	98.5	Very high	97.6	Very high	22 Å²	22	41.2 Å²	41.2	9%	0.086	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	139.5	-169.7	-54.4	-84.2	0	0	0	112.1	T381 L456 I457 K498 S499 I576 M578 L597 P598	T381-Y383 HydrophobicContact CG2-CD1 4.48Å; T381-Y383 HydrophobicContact CG2-CE1 3.74Å; T381-Y383 HydrophobicContact CG2-CE2 4.11Å; T381-Y383 WeakPolarHBondContact CG2-OH 3.24Å; Y383-L456 WeakPolarHBondContact CA-O 3.35Å; Y383-I457 HydrophobicContact CD1-CB 4.42Å; Y383-I457 HydrophobicContact CD1-CD1 4.44Å; Y383-I457 HydrophobicContact CD1-CG1 4.02Å; Y383-I457 HydrophobicContact CD1-CG2 4.02Å; Y383-I457 HydrophobicContact CE1-CD1 4.32Å; Y383-I457 HydrophobicContact CE1-CG1 4.29Å; Y383-I457 HydrophobicContact CE1-CG2 3.8Å; Y383-K498 CarbonylContact O-C 3.56Å; Y383-S499 WeakPolarHBondContact CD2-OG 3.45Å; Y383-S499 PolarHBondContact N-OG 3.29Å; Y383-I576 HydrophobicContact CD2-CD1 3.78Å; Y383-I576 HydrophobicContact CD2-CG2 4.3Å; Y383-I576 HydrophobicContact CE2-CG2 4.38Å; Y383-I576 HydrophobicContact CG-CD1 4.14Å; Y383-M578 WeakPolarHBondContact O-CE 3.26Å; Y383-M578 VanDerWaalsContact O-SD 3.42Å; Y383-L597 HydrophobicContact CD2-CD2 4.29Å; Y383-L597 HydrophobicContact CE2-CD2 3.45Å; Y383-L597 VanDerWaalsContact CE2-CD2 3.45Å; Y383-P598 HydrophobicContact CD1-CB 4.38Å; Y383-P598 HydrophobicContact CD1-CG 3.59Å; Y383-P598 HydrophobicContact CE1-CG 4.21Å; Y383-P598 HydrophobicContact CG-CG 3.99Å
384	C	98.4	Very high	97.6	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.014	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	102.5	156.4	-173.4	0	0	0	0	108.1	L361 V455 L456 C497	L361-C384 HydrophobicContact CD2-CB 4.13Å; C384-V455 VanDerWaalsContact O-CA 3.28Å; C384-V455 WeakPolarHBondContact O-CA 3.44Å; C384-V455 WeakPolarHBondContact O-CG1 3.42Å; C384-L456 HydrophobicContact CB-CB 3.85Å; C384-L456 HydrophobicContact CB-CD1 4.1Å; C384-L456 HydrophobicContact CB-CG 4.42Å; C384-L456 PolarHBondContact N-O 3.2Å; C384-L456 PolarHBondContact O-N 2.74Å; C384-C497 WeakPolarHBondContact CA-SG 3.21Å; C384-C497 HydrophobicContact CB-CB 3.76Å; C384-C497 WeakPolarHBondContact CB-SG 3.26Å; C384-C497 WeakPolarHBondContact SG-CB 3.37Å; C384-C497 CovalentContact SG-SG 2.01Å; C384-C497 PolarHBondContact SG-SG 3.39Å
385	T	98.1	Very high	97.6	Very high	8 Å²	8	43.1 Å²	43.1	5%	0.049	22%	0.222	C	C	.	.			trans	-73.3	155.8	-171.3	60.2	0	0	0	0	113	K387 C388 T389 I576 M578 P598	T385-K387 PolarHBondContact O-N 3.49Å; T385-K387 VanDerWaalsContact O-N 3.11Å; T385-C388 PolarHBondContact O-N 2.86Å; T385-C388 PolarHBondContact OG1-N 2.95Å; T385-T389 PolarHBondContact O-N 2.79Å; T385-I576 HydrophobicContact CG2-CD1 3.91Å; T385-M578 HydrophobicContact CG2-CG 4.48Å; T385-M578 HydrophobicContact CG2-SD 3.68Å; T385-P598 HydrophobicContact CG2-CG 4.33Å
386	S	97.3	Very high	97.6	Very high	34 Å²	34	43.3 Å²	43.3	24%	0.238	24%	0.237	C	C	.	.	H	α-helix	trans	-57.7	-27.4	175.1	63.6	0	0	0	0	113.4	T389 R390 G453 D454	S386-T389 WeakPolarHBondContact CA-OG1 3.44Å; S386-T389 PolarHBondContact O-OG1 3.13Å; S386-R390 VanDerWaalsContact O-CB 3.28Å; S386-R390 WeakPolarHBondContact O-CB 3.35Å; S386-R390 WeakPolarHBondContact O-CG 3.16Å; S386-R390 VanDerWaalsContact O-CZ 3.25Å; S386-R390 PolarHBondContact O-N 3Å; S386-R390 PolarHBondContact O-NE 2.93Å; S386-R390 PolarHBondContact O-NH2 3.42Å; S386-R390 PolarHBondContact OG-NH2 2.96Å; S386-G453 WeakPolarHBondContact CB-O 3.19Å; S386-D454 VanDerWaalsContact CA-O 3.29Å; S386-D454 WeakPolarHBondContact CA-O 3.43Å
387	K	97.7	Very high	97.7	Very high	66 Å²	66	37.6 Å²	37.6	29%	0.287	21%	0.211	S	C	.	.	H	α-helix	trans	-67.7	-45.9	173.3	-171.2	-179	-176.1	178.2	0	111.1	T385 R390 T391 E591 W592 Q595	T385-K387 PolarHBondContact O-N 3.49Å; T385-K387 VanDerWaalsContact O-N 3.11Å; K387-R390 PolarHBondContact O-N 3.35Å; K387-T391 WeakPolarHBondContact O-CB 3.4Å; K387-T391 PolarHBondContact O-N 2.74Å; K387-T391 PolarHBondContact O-OG1 2.79Å; K387-E591 PolarHBondContact NZ-O 3.08Å; K387-W592 HydrophobicContact CB-CZ3 4.23Å; K387-W592 HydrophobicContact CD-CE3 4.42Å; K387-W592 HydrophobicContact CD-CZ3 4.01Å; K387-W592 HydrophobicContact CG-CH2 4.25Å; K387-W592 HydrophobicContact CG-CZ3 3.86Å; K387-Q595 VanDerWaalsContact CD-OE1 3.32Å
388	C	98	Very high	97.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.4	-46.4	178.2	-178.2	0	0	0	0	111.5	T385 R390 T391 A392 C497 M578 C580 W592	T385-C388 PolarHBondContact O-N 2.86Å; T385-C388 PolarHBondContact OG1-N 2.95Å; C388-R390 VanDerWaalsContact C-N 3.34Å; C388-R390 PolarHBondContact O-N 2.94Å; C388-T391 PolarHBondContact O-N 3.04Å; C388-T391 VanDerWaalsContact O-N 3.14Å; C388-A392 WeakPolarHBondContact O-CB 3.29Å; C388-A392 PolarHBondContact O-N 2.91Å; C388-C497 PolarHBondContact SG-SG 3.46Å; C388-M578 HydrophobicContact CB-CE 4.15Å; C388-C580 VanDerWaalsContact CA-SG 3.5Å; C388-C580 HydrophobicContact CB-CB 3.77Å; C388-C580 WeakPolarHBondContact CB-SG 3.5Å; C388-C580 WeakPolarHBondContact SG-CB 3.46Å; C388-C580 CovalentContact SG-SG 2.03Å; C388-C580 PolarHBondContact SG-SG 3.12Å; C388-W592 HydrophobicContact CB-CH2 4.29Å; C388-W592 HydrophobicContact CB-CZ3 3.96Å
389	T	98.1	Very high	97.8	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-38.7	177.7	59.9	0	0	0	0	112	T385 S386 T391 L393 G453 D454	T385-T389 PolarHBondContact O-N 2.79Å; S386-T389 WeakPolarHBondContact CA-OG1 3.44Å; S386-T389 PolarHBondContact O-OG1 3.13Å; T389-T391 PolarHBondContact O-N 2.85Å; T389-L393 HydrophobicContact CG2-CD1 4.12Å; T389-L393 VanDerWaalsContact O-CB 3.25Å; T389-L393 WeakPolarHBondContact O-CB 3.29Å; T389-L393 WeakPolarHBondContact O-CG 3.41Å; T389-L393 PolarHBondContact O-N 3.24Å; T389-G453 PolarHBondContact OG1-N 2.86Å; T389-D454 WeakPolarHBondContact CB-O 3.45Å; T389-D454 VanDerWaalsContact CG2-O 3.23Å; T389-D454 WeakPolarHBondContact CG2-O 3.48Å; T389-D454 PolarHBondContact OG1-N 2.55Å; T389-D454 PolarHBondContact OG1-O 3.34Å
390	R	97.4	Very high	97.8	Very high	140 Å²	140	34.2 Å²	34.2	53%	0.528	19%	0.192	S	C	.	.	H	α-helix	trans	-60	-41.9	171.8	-87.2	-173.8	-66.5	-87.3	-4.8	113.4	S386 K387 C388 P452	S386-R390 VanDerWaalsContact O-CB 3.28Å; S386-R390 WeakPolarHBondContact O-CB 3.35Å; S386-R390 WeakPolarHBondContact O-CG 3.16Å; S386-R390 VanDerWaalsContact O-CZ 3.25Å; S386-R390 PolarHBondContact O-N 3Å; S386-R390 PolarHBondContact O-NE 2.93Å; S386-R390 PolarHBondContact O-NH2 3.42Å; S386-R390 PolarHBondContact OG-NH2 2.96Å; K387-R390 PolarHBondContact O-N 3.35Å; C388-R390 VanDerWaalsContact C-N 3.34Å; C388-R390 PolarHBondContact O-N 2.94Å; R390-P452 HydrophobicContact CG-CB 4.46Å
391	T	97.1	Very high	97.6	Very high	66 Å²	66	34 Å²	34	41%	0.405	19%	0.191	S	C	.	.	H	α-helix	trans	-73.8	-36.7	-176.4	-63.1	0	0	0	0	111.9	K387 C388 T389 F588 W592	K387-T391 WeakPolarHBondContact O-CB 3.4Å; K387-T391 PolarHBondContact O-N 2.74Å; K387-T391 PolarHBondContact O-OG1 2.79Å; C388-T391 PolarHBondContact O-N 3.04Å; C388-T391 VanDerWaalsContact O-N 3.14Å; T389-T391 PolarHBondContact O-N 2.85Å; T391-F588 HydrophobicContact CG2-CB 3.92Å; T391-F588 HydrophobicContact CG2-CD1 4.08Å; T391-F588 HydrophobicContact CG2-CG 4.27Å; T391-W592 HydrophobicContact CG2-CH2 4.45Å; T391-W592 HydrophobicContact CG2-CZ2 4.41Å
392	A	96.6	Very high	97.5	Very high	13 Å²	13	32.9 Å²	32.9	11%	0.107	18%	0.184	C	C	.	.	H	α-helix	trans	-111.3	-20.1	-163.2	0	0	0	0	0	115.2	C388 L494 F588	C388-A392 WeakPolarHBondContact O-CB 3.29Å; C388-A392 PolarHBondContact O-N 2.91Å; A392-L494 HydrophobicContact CB-CB 3.9Å; A392-L494 HydrophobicContact CB-CD1 4.14Å; A392-L494 HydrophobicContact CB-CD2 3.95Å; A392-L494 HydrophobicContact CB-CG 4.21Å; A392-F588 HydrophobicContact CB-CD1 4.19Å; A392-F588 HydrophobicContact CB-CD2 4.14Å; A392-F588 HydrophobicContact CB-CE1 3.79Å; A392-F588 HydrophobicContact CB-CE2 3.76Å; A392-F588 HydrophobicContact CB-CG 4.35Å; A392-F588 HydrophobicContact CB-CZ 3.56Å
393	L	97.9	Very high	97.3	Very high	14 Å²	14	32.9 Å²	32.9	7%	0.073	18%	0.184	C	C	.	.	S	Bend	trans	-90.6	147.7	179.2	-60.1	-174.7	0	0	0	112.3	M359 T389 I398 I450 P452 T492 L494	M359-L393 HydrophobicContact CE-CD2 4.29Å; T389-L393 HydrophobicContact CG2-CD1 4.12Å; T389-L393 VanDerWaalsContact O-CB 3.25Å; T389-L393 WeakPolarHBondContact O-CB 3.29Å; T389-L393 WeakPolarHBondContact O-CG 3.41Å; T389-L393 PolarHBondContact O-N 3.24Å; L393-I398 HydrophobicContact CD1-CG1 4.38Å; L393-I398 HydrophobicContact CD2-CD1 3.97Å; L393-I398 HydrophobicContact CD2-CG1 4.26Å; L393-I398 HydrophobicContact CD2-CG2 4.09Å; L393-I450 HydrophobicContact CD1-CG2 3.86Å; L393-P452 HydrophobicContact CB-CG 4.07Å; L393-T492 HydrophobicContact CD2-CG2 4.31Å; L393-L494 HydrophobicContact CD2-CD2 4.24Å
394	P	97.4	Very high	97.1	Very high	45 Å²	45	31.8 Å²	31.8	29%	0.292	18%	0.18	S	C	.	.			trans	-69.8	160.5	175.2	31.3	-37	0	0	0	111.4	G396 G397 P452 T492	P394-G396 PolarHBondContact O-N 3.44Å; P394-G396 VanDerWaalsContact O-N 3.1Å; P394-G397 WeakPolarHBondContact CG-O 3.36Å; P394-G397 PolarHBondContact O-N 3.25Å; P394-P452 WeakPolarHBondContact O-CD 3.1Å; P394-P452 WeakPolarHBondContact O-CG 3.29Å; P394-T492 HydrophobicContact CG-CG2 4.39Å
395	P	97.3	Very high	96.9	Very high	128 Å²	128	31.9 Å²	31.9	83%	0.831	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-33.5	-178.5	-27.7	35.1	0	0	0	114.8	G397	P395-G397 VanDerWaalsContact C-N 3.29Å
396	G	96.5	Very high	96.7	Very high	51 Å²	51	32.8 Å²	32.8	53%	0.526	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-1.3	177.3	0	0	0	0	0	115	P394	P394-G396 PolarHBondContact O-N 3.44Å; P394-G396 VanDerWaalsContact O-N 3.1Å
397	G	97.8	Very high	96.6	Very high	3 Å²	3	31.2 Å²	31.2	3%	0.031	17%	0.172	C	C	.	.			trans	72.5	-165.2	-177	0	0	0	0	0	114.8	P394 P395 I450	P394-G397 WeakPolarHBondContact CG-O 3.36Å; P394-G397 PolarHBondContact O-N 3.25Å; P395-G397 VanDerWaalsContact C-N 3.29Å; G397-I450 CarbonylContact C-O 3.49Å; G397-I450 WeakPolarHBondContact CA-O 3.37Å
398	I	98.4	Very high	96.3	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	149.6	175.4	59.1	170.8	0	0	0	109.9	M359 L393 N449 I450 I486 Y488 T492	M359-I398 HydrophobicContact CE-CD1 3.9Å; L393-I398 HydrophobicContact CD1-CG1 4.38Å; L393-I398 HydrophobicContact CD2-CD1 3.97Å; L393-I398 HydrophobicContact CD2-CG1 4.26Å; L393-I398 HydrophobicContact CD2-CG2 4.09Å; I398-N449 WeakPolarHBondContact O-CA 3.17Å; I398-N449 PolarHBondContact O-OD1 3.43Å; I398-I450 HydrophobicContact CD1-CB 4.49Å; I398-I450 HydrophobicContact CD1-CD1 4.39Å; I398-I450 HydrophobicContact CG1-CB 3.89Å; I398-I450 PolarHBondContact N-O 2.88Å; I398-I450 PolarHBondContact O-N 3.35Å; I398-I486 HydrophobicContact CD1-CD1 4.49Å; I398-Y488 HydrophobicContact CB-CD2 3.61Å; I398-Y488 HydrophobicContact CB-CE2 4.26Å; I398-Y488 HydrophobicContact CB-CG 4.31Å; I398-Y488 HydrophobicContact CD1-CD1 4.33Å; I398-Y488 HydrophobicContact CD1-CD2 3.68Å; I398-Y488 HydrophobicContact CD1-CE2 4.09Å; I398-Y488 HydrophobicContact CD1-CG 3.79Å; I398-Y488 HydrophobicContact CG1-CD2 4.21Å; I398-Y488 HydrophobicContact CG2-CD2 3.58Å; I398-Y488 HydrophobicContact CG2-CE2 3.73Å; I398-T492 HydrophobicContact CG2-CG2 3.8Å
399	Y	98.1	Very high	95.9	Very high	93 Å²	93	32 Å²	32	37%	0.365	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	111.1	175.6	-64.9	-87.7	0	0	0	109.3	I448 N449 Y488 Y489	Y399-I448 WeakPolarHBondContact CA-O 3.43Å; Y399-N449 HydrophobicContact CD1-CB 4.01Å; Y399-N449 HydrophobicContact CE1-CB 3.76Å; Y399-Y488 CarbonylContact O-C 3.57Å; Y399-Y488 WeakPolarHBondContact O-CA 3.22Å; Y399-Y488 WeakPolarHBondContact O-CB 2.95Å; Y399-Y489 HydrophobicContact CD2-CE2 4.12Å; Y399-Y489 HydrophobicContact CG-CE2 4.34Å; Y399-Y489 PolarHBondContact N-O 3.06Å; Y399-Y489 PolarHBondContact O-N 2.84Å
400	V	98	Very high	95.8	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	128	172.8	-176.4	0	0	0	0	108.8	A402 V428 L444 M447 I448 I450 I486 H487	V400-A402 WeakPolarHBondContact CG1-O 3.42Å; V400-V428 HydrophobicContact CG1-CG1 4.43Å; V400-L444 HydrophobicContact CB-CD1 4.34Å; V400-L444 HydrophobicContact CG1-CD1 3.78Å; V400-M447 CarbonylContact O-C 3.5Å; V400-M447 WeakPolarHBondContact O-CA 3.18Å; V400-M447 WeakPolarHBondContact O-CB 3.38Å; V400-I448 PolarHBondContact N-O 2.86Å; V400-I448 PolarHBondContact O-N 3.43Å; V400-I450 HydrophobicContact CG2-CD1 3.36Å; V400-I450 HydrophobicContact CG2-CG1 4.13Å; V400-I486 HydrophobicContact CG1-CB 3.85Å; V400-I486 HydrophobicContact CG1-CG2 4.12Å; V400-I486 HydrophobicContact CG2-CB 4.36Å; V400-I486 HydrophobicContact CG2-CD1 3.81Å; V400-H487 WeakPolarHBondContact CA-O 3.42Å
401	F	95.5	Very high	95.8	Very high	3 Å²	3	25.4 Å²	25.4	1%	0.013	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	-18.4	-177.6	63.6	-93.7	0	0	0	113.5	F303 Y305 P306 A356 L444 M447 H487 Y489	F303-F401 HydrophobicContact CE1-CE2 4.33Å; F303-F401 HydrophobicContact CZ-CD2 4.39Å; F303-F401 AromaticContact CZ-CE2 3.9Å; F303-F401 HydrophobicContact CZ-CE2 3.9Å; Y305-F401 HydrophobicContact CD1-CE2 4Å; Y305-F401 AromaticContact CD1-CZ 3.74Å; Y305-F401 HydrophobicContact CD1-CZ 3.74Å; Y305-F401 HydrophobicContact CE1-CE2 4.26Å; Y305-F401 AromaticContact CE1-CZ 3.9Å; Y305-F401 HydrophobicContact CE1-CZ 3.9Å; P306-F401 VanDerWaalsContact CD-CE2 3.45Å; P306-F401 HydrophobicContact CG-CB 3.89Å; P306-F401 HydrophobicContact CG-CD1 3.88Å; P306-F401 HydrophobicContact CG-CD2 3.56Å; P306-F401 HydrophobicContact CG-CE1 4.27Å; P306-F401 HydrophobicContact CG-CE2 3.98Å; P306-F401 HydrophobicContact CG-CG 3.49Å; P306-F401 VanDerWaalsContact CG-CG 3.49Å; P306-F401 HydrophobicContact CG-CZ 4.32Å; A356-F401 HydrophobicContact CB-CE1 4.32Å; A356-F401 HydrophobicContact CB-CZ 4.19Å; F401-L444 PolarHBondContact O-N 2.9Å; F401-M447 HydrophobicContact CB-CE 3.79Å; F401-M447 HydrophobicContact CB-CG 3.94Å; F401-M447 HydrophobicContact CB-SD 4.04Å; F401-H487 VanDerWaalsContact CD1-O 3.29Å; F401-H487 WeakPolarHBondContact CD1-O 3.36Å; F401-H487 HydrophobicContact CD2-CB 4.43Å; F401-H487 HydrophobicContact CE1-CB 4.07Å; F401-H487 HydrophobicContact CE2-CB 3.83Å; F401-H487 HydrophobicContact CZ-CB 3.63Å; F401-H487 PolarHBondContact N-O 2.91Å; F401-Y489 AromaticContact CD1-CD1 3.62Å; F401-Y489 HydrophobicContact CD1-CD1 3.62Å; F401-Y489 AromaticContact CD1-CE1 3.94Å; F401-Y489 HydrophobicContact CD1-CE1 3.94Å; F401-Y489 AromaticContact CE1-CD1 3.87Å; F401-Y489 HydrophobicContact CE1-CD1 3.87Å
402	A	95	Very high	95.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	162.5	172.5	0	0	0	0	0	110.8	F303 V400 I441 R442 H487	F303-A402 HydrophobicContact CE2-CB 3.68Å; F303-A402 HydrophobicContact CZ-CB 3.7Å; V400-A402 WeakPolarHBondContact CG1-O 3.42Å; A402-I441 HydrophobicContact CB-CG2 3.72Å; A402-R442 CarbonylContact C-O 3.56Å; A402-R442 WeakPolarHBondContact CA-O 3.27Å; A402-R442 VanDerWaalsContact CB-O 3.27Å; A402-R442 WeakPolarHBondContact CB-O 3.33Å; A402-H487 HydrophobicContact CB-CB 4Å; A402-H487 PolarHBondContact N-O 2.8Å; A402-H487 PolarHBondContact O-N 3.06Å
403	S	94.8	Very high	95.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	147.2	-176.6	164	0	0	0	0	110	Q429 R442 N484 Y485	S403-Q429 PolarHBondContact O-OE1 3.42Å; S403-Q429 WeakPolarHBondContact OG-CB 3.18Å; S403-Q429 PolarHBondContact OG-OE1 3.17Å; S403-R442 PolarHBondContact N-O 2.92Å; S403-R442 PolarHBondContact O-N 3Å; S403-N484 PolarHBondContact OG-ND2 2.85Å; S403-N484 VanDerWaalsContact OG-ND2 3.09Å; S403-N484 PolarHBondContact OG-OD1 3.15Å; S403-Y485 CarbonylContact C-O 3.49Å; S403-Y485 VanDerWaalsContact CA-O 3.28Å; S403-Y485 WeakPolarHBondContact CA-O 3.35Å
404	Q	93.9	Very high	95.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	123.9	175.8	176.8	-174.5	-12.2	0	0	109.9	E259 I441 N484 Y485	E259-Q404 PolarHBondContact OE1-NE2 2.79Å; Q404-I441 HydrophobicContact CB-CB 4.47Å; Q404-I441 HydrophobicContact CB-CG1 3.77Å; Q404-I441 HydrophobicContact CG-CG1 4.27Å; Q404-N484 CarbonylContact O-C 3.48Å; Q404-N484 WeakPolarHBondContact O-CA 3.19Å; Q404-N484 PolarHBondContact O-OD1 3.12Å; Q404-Y485 PolarHBondContact N-O 3.02Å; Q404-Y485 PolarHBondContact O-N 3.48Å
405	L	95.2	Very high	95.8	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	141.2	177.7	-54.4	172.8	0	0	0	109.8	V414 Q429 D431 F434 N484	L405-V414 HydrophobicContact CB-CB 4.16Å; L405-V414 HydrophobicContact CB-CG1 4.46Å; L405-V414 HydrophobicContact CB-CG2 4.33Å; L405-V414 HydrophobicContact CD1-CB 4.03Å; L405-V414 HydrophobicContact CD2-CB 4.02Å; L405-V414 HydrophobicContact CD2-CG1 3.73Å; L405-V414 HydrophobicContact CG-CB 4.27Å; L405-V414 HydrophobicContact CG-CG1 4.47Å; L405-Q429 HydrophobicContact CD1-CG 3.91Å; L405-Q429 HydrophobicContact CD2-CB 4.24Å; L405-Q429 HydrophobicContact CD2-CG 4.25Å; L405-Q429 HydrophobicContact CG-CG 4.13Å; L405-D431 HydrophobicContact CD1-CB 3.57Å; L405-F434 HydrophobicContact CB-CD2 4Å; L405-F434 HydrophobicContact CB-CE2 3.8Å; L405-F434 HydrophobicContact CD1-CD2 4.45Å; L405-F434 WeakPolarHBondContact O-CE2 3.21Å; L405-N484 HydrophobicContact CD2-CB 4.11Å
406	H	93.3	Very high	95.9	Very high	27 Å²	27	19.2 Å²	19.2	13%	0.125	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	134.2	-178.4	176.1	81.8	0	0	0	112.4	H408 Q439 V483 Y485	H406-H408 AromaticContact NE2-CD2 3.8Å; H406-H408 AromaticContact NE2-NE2 3.92Å; H406-Q439 PolarHBondContact ND1-OE1 3.17Å; H406-V483 HydrophobicContact CB-CB 4.21Å; H406-V483 PolarHBondContact N-O 2.85Å; H406-V483 PolarHBondContact O-N 3.3Å; H406-Y485 HydrophobicContact CB-CD2 4.42Å; H406-Y485 HydrophobicContact CB-CE2 3.95Å
407	T	94.9	Very high	95.9	Very high	1 Å²	1	17 Å²	17	1%	0.006	8%	0.075	C	C	.	.			trans	-144.4	174.9	169.2	73.2	0	0	0	0	109.1	G411 V414 F434 Y462 M481	T407-G411 WeakPolarHBondContact OG1-CA 3.35Å; T407-V414 HydrophobicContact CG2-CG2 3.68Å; T407-F434 HydrophobicContact CG2-CE1 4.1Å; T407-F434 WeakPolarHBondContact OG1-CE1 3.24Å; T407-Y462 HydrophobicContact CG2-CE1 4.34Å; T407-M481 WeakPolarHBondContact CA-O 3.29Å; T407-M481 WeakPolarHBondContact CB-O 3.26Å
408	H	90.8	Very high	95.9	Very high	23 Å²	23	16.9 Å²	16.9	11%	0.106	7%	0.074	C	C	.	.			trans	-95.5	-169.3	161.8	-54	164	0	0	0	110.6	H406 A410 G411 T436 G474 G476 E479 E480	H406-H408 AromaticContact NE2-CD2 3.8Å; H406-H408 AromaticContact NE2-NE2 3.92Å; H408-A410 PolarHBondContact O-N 3Å; H408-G411 PolarHBondContact O-N 2.95Å; H408-T436 WeakPolarHBondContact O-CG2 3.41Å; H408-G474 PolarHBondContact CE1-O 2.85Å; H408-G476 PolarHBondContact CE1-O 3.46Å; H408-G476 PolarHBondContact ND1-O 3.37Å; H408-E479 WeakPolarHBondContact CB-O 3.35Å; H408-E479 PolarHBondContact ND1-O 3.5Å; H408-E480 WeakPolarHBondContact CA-OE2 3.37Å; H408-E480 WeakPolarHBondContact CB-OE1 3.4Å; H408-E480 WeakPolarHBondContact CB-OE2 3.49Å; H408-E480 PolarHBondContact N-OE2 2.68Å
409	L	90.9	Very high	95.9	Very high	59 Å²	59	17 Å²	17	31%	0.309	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-22	-158.4	-59.8	177.3	0	0	0	115.8	R412 M478 E480	L409-R412 PolarHBondContact O-NH1 3.17Å; L409-M478 HydrophobicContact CD1-SD 4.26Å; L409-E480 PolarHBondContact N-OE1 2.78Å; L409-E480 VanDerWaalsContact N-OE1 3.15Å
410	A	96	Very high	95.9	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.008	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-14.4	177.2	0	0	0	0	0	112.7	H408 R412 Y462 N463 T464 E480	H408-A410 PolarHBondContact O-N 3Å; A410-R412 PolarHBondContact O-NH1 2.92Å; A410-Y462 HydrophobicContact CB-CD1 4.12Å; A410-Y462 CarbonylContact O-C 3.57Å; A410-Y462 VanDerWaalsContact O-CA 3.24Å; A410-Y462 WeakPolarHBondContact O-CA 3.34Å; A410-N463 WeakPolarHBondContact CB-O 3.37Å; A410-N463 PolarHBondContact O-N 2.87Å; A410-T464 HydrophobicContact CB-CG2 4.07Å; A410-E480 WeakPolarHBondContact CA-OE1 3.3Å; A410-E480 HydrophobicContact CB-CG 4.15Å; A410-E480 WeakPolarHBondContact CB-OE1 3.48Å; A410-E480 PolarHBondContact N-OE1 3.43Å
411	G	97.1	Very high	95.6	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.01	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	140.8	-177.3	0	0	0	0	0	113.6	T407 H408	T407-G411 WeakPolarHBondContact OG1-CA 3.35Å; H408-G411 PolarHBondContact O-N 2.95Å
412	R	96.3	Very high	95.6	Very high	72 Å²	72	21 Å²	21	27%	0.272	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	-22.3	-177.5	-64.3	-63.2	178.3	-86.9	-3.9	113.1	R86 L409 A410 F434 T461 N463	R86-R412 VanDerWaalsContact CZ-O 3.31Å; R86-R412 PolarHBondContact NH1-O 2.84Å; R86-R412 PolarHBondContact NH2-O 3.49Å; R86-R412 VanDerWaalsContact NH2-O 3.09Å; L409-R412 PolarHBondContact O-NH1 3.17Å; A410-R412 PolarHBondContact O-NH1 2.92Å; R412-F434 PolarHBondContact O-N 3.16Å; R412-T461 PolarHBondContact N-O 3.48Å; R412-N463 HydrophobicContact CG-CB 3.82Å
413	G	97.3	Very high	95.6	Very high	4 Å²	4	26.6 Å²	26.6	4%	0.041	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	147.5	178	0	0	0	0	0	111.3	D431 C460 T461	G413-D431 VanDerWaalsContact CA-O 3.23Å; G413-D431 WeakPolarHBondContact CA-O 3.28Å; G413-C460 CarbonylContact O-C 3.5Å; G413-C460 WeakPolarHBondContact O-CA 3.43Å; G413-T461 PolarHBondContact N-O 3.24Å; G413-T461 PolarHBondContact O-N 2.97Å
414	V	98	Very high	95.7	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.018	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	134.9	174.1	-169.1	0	0	0	0	109.7	L405 T407 E430 D431 F434 T458 K459	L405-V414 HydrophobicContact CB-CB 4.16Å; L405-V414 HydrophobicContact CB-CG1 4.46Å; L405-V414 HydrophobicContact CB-CG2 4.33Å; L405-V414 HydrophobicContact CD1-CB 4.03Å; L405-V414 HydrophobicContact CD2-CB 4.02Å; L405-V414 HydrophobicContact CD2-CG1 3.73Å; L405-V414 HydrophobicContact CG-CB 4.27Å; L405-V414 HydrophobicContact CG-CG1 4.47Å; T407-V414 HydrophobicContact CG2-CG2 3.68Å; V414-E430 WeakPolarHBondContact O-CA 3.42Å; V414-D431 PolarHBondContact N-O 2.89Å; V414-D431 PolarHBondContact O-N 2.85Å; V414-F434 HydrophobicContact CG2-CD1 4.44Å; V414-F434 HydrophobicContact CG2-CD2 4.48Å; V414-F434 HydrophobicContact CG2-CG 4.29Å; V414-T458 HydrophobicContact CG1-CG2 4.01Å; V414-K459 WeakPolarHBondContact CA-O 3.48Å
415	R	97.1	Very high	95.8	Very high	58 Å²	58	30.6 Å²	30.6	22%	0.219	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	127.9	176.9	-176.3	-178.3	-176.4	-103.9	2.5	109.7	V417 E424 E430 T458 K459	R415-V417 HydrophobicContact CG-CG1 4.35Å; R415-E424 IonicContact CZ-OE1 3.12Å; R415-E424 IonicContact CZ-OE2 2.74Å; R415-E424 IonicContact NH1-OE1 2.66Å; R415-E424 PolarHBondContact NH1-OE1 3.31Å; R415-E424 IonicContact NH1-OE2 3.68Å; R415-E424 PolarHBondContact NH1-OE2 2.87Å; R415-E424 IonicContact NH2-OE1 3.08Å; R415-E424 IonicContact NH2-OE2 2.67Å; R415-E424 PolarHBondContact NH2-OE2 3.28Å; R415-E430 HydrophobicContact CB-CG 4.22Å; R415-E430 WeakPolarHBondContact CD-OE1 3.34Å; R415-E430 HydrophobicContact CG-CB 4.23Å; R415-E430 HydrophobicContact CG-CG 4.1Å; R415-E430 IonicContact NE-OE1 3.37Å; R415-T458 CarbonylContact O-C 3.56Å; R415-T458 WeakPolarHBondContact O-CA 3.45Å; R415-K459 PolarHBondContact N-O 2.74Å; R415-K459 PolarHBondContact O-N 2.95Å
416	T	98.3	Very high	95.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.1	170.9	-60.3	0	0	0	0	110.5	L361 V428 Q429 I457 T458 N484	L361-T416 HydrophobicContact CD1-CG2 4.04Å; T416-V428 HydrophobicContact CG2-CB 3.88Å; T416-V428 HydrophobicContact CG2-CG1 4.41Å; T416-V428 HydrophobicContact CG2-CG2 4.07Å; T416-V428 PolarHBondContact O-N 3.31Å; T416-Q429 PolarHBondContact N-O 3.13Å; T416-Q429 PolarHBondContact O-N 2.6Å; T416-I457 CarbonylContact C-O 3.53Å; T416-I457 WeakPolarHBondContact CA-O 3.32Å; T416-T458 WeakPolarHBondContact CG2-OG1 3.31Å; T416-T458 WeakPolarHBondContact OG1-CG2 3.43Å; T416-T458 PolarHBondContact OG1-OG1 2.97Å; T416-N484 VanDerWaalsContact CB-ND2 3.31Å; T416-N484 WeakPolarHBondContact CB-ND2 3.19Å; T416-N484 WeakPolarHBondContact OG1-CB 3.29Å; T416-N484 PolarHBondContact OG1-ND2 3.01Å
417	V	97.6	Very high	95.8	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.018	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	150.8	177.5	-68	0	0	0	0	112.9	R415 V419 E424 V427 L456 I457	R415-V417 HydrophobicContact CG-CG1 4.35Å; V417-V419 HydrophobicContact CG2-CG2 4.23Å; V417-E424 HydrophobicContact CB-CG 4.33Å; V417-E424 HydrophobicContact CG2-CG 4.14Å; V417-V427 HydrophobicContact CG1-CG2 4.17Å; V417-L456 WeakPolarHBondContact O-CA 3.48Å; V417-I457 HydrophobicContact CG2-CB 3.82Å; V417-I457 HydrophobicContact CG2-CG1 4.37Å; V417-I457 PolarHBondContact N-O 2.88Å; V417-I457 PolarHBondContact O-N 3.08Å
418	L	98.1	Very high	95.8	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	127.6	168.5	177.3	65.2	0	0	0	109.9	E424 L425 D426 V428 I448 I450 D454 L456	L418-E424 WeakPolarHBondContact O-CA 3.4Å; L418-L425 PolarHBondContact O-N 2.57Å; L418-D426 PolarHBondContact N-O 2.92Å; L418-V428 HydrophobicContact CB-CG2 4.45Å; L418-I448 HydrophobicContact CD2-CG2 3.72Å; L418-I450 HydrophobicContact CD1-CG1 4.22Å; L418-I450 HydrophobicContact CD1-CG2 4.17Å; L418-D454 HydrophobicContact CD1-CB 3.65Å; L418-L456 HydrophobicContact CB-CD2 4.35Å; L418-L456 HydrophobicContact CD1-CD2 3.94Å
419	V	98.3	Very high	96	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.9	177.7	177.4	0	0	0	0	110.2	V417 K423 E424 V455 I457 V600	V417-V419 HydrophobicContact CG2-CG2 4.23Å; V419-K423 VanDerWaalsContact CA-O 3.3Å; V419-K423 WeakPolarHBondContact CA-O 3.45Å; V419-E424 HydrophobicContact CG2-CG 3.89Å; V419-V455 HydrophobicContact CB-CB 4.14Å; V419-V455 PolarHBondContact N-O 3.16Å; V419-V455 PolarHBondContact O-N 3.36Å; V419-I457 HydrophobicContact CG2-CD1 3.82Å; V419-I457 HydrophobicContact CG2-CG1 4.23Å; V419-V600 HydrophobicContact CG1-CG2 4.45Å; V419-V600 HydrophobicContact CG2-CG2 4.27Å
420	R	96.6	Very high	96.2	Very high	89 Å²	89	32.8 Å²	32.8	34%	0.336	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	127.3	176.6	-174.6	176.5	-66.4	153	4.6	110	G422 K423 L425 N449 D454	R420-G422 PolarHBondContact O-N 2.84Å; R420-K423 PolarHBondContact N-O 2.86Å; R420-K423 PolarHBondContact O-N 3.48Å; R420-L425 HydrophobicContact CB-CD1 3.45Å; R420-L425 VanDerWaalsContact CB-CD1 3.45Å; R420-L425 HydrophobicContact CB-CG 3.94Å; R420-L425 HydrophobicContact CG-CD1 4.24Å; R420-N449 PolarHBondContact NH2-O 2.86Å; R420-D454 VanDerWaalsContact CG-OD1 3.31Å; R420-D454 WeakPolarHBondContact CG-OD1 3.35Å; R420-D454 IonicContact CZ-OD1 3.58Å; R420-D454 IonicContact CZ-OD2 3.45Å; R420-D454 IonicContact NE-OD1 2.73Å; R420-D454 PolarHBondContact NE-OD1 3.04Å; R420-D454 IonicContact NE-OD2 3.41Å; R420-D454 PolarHBondContact NE-OD2 2.94Å; R420-D454 IonicContact NH2-OD1 3.27Å; R420-D454 IonicContact NH2-OD2 3.59Å; R420-D454 PolarHBondContact NH2-OD2 2.79Å
421	G	93.7	Very high	96.2	Very high	76 Å²	76	32.7 Å²	32.7	78%	0.784	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	34.8	-177.5	0	0	0	0	0	113.4	K423	G421-K423 VanDerWaalsContact C-N 3.33Å; G421-K423 PolarHBondContact O-N 3.35Å
422	G	93.8	Very high	96	Very high	16 Å²	16	36 Å²	36	17%	0.165	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	10.8	180	0	0	0	0	0	115.4	R420 E599 V600 T601 S602	R420-G422 PolarHBondContact O-N 2.84Å; G422-E599 WeakPolarHBondContact CA-O 3.42Å; G422-V600 CarbonylContact O-C 3.58Å; G422-T601 PolarHBondContact O-N 2.9Å; G422-T601 PolarHBondContact O-OG1 3.19Å; G422-S602 PolarHBondContact O-N 3.03Å
423	K	96.3	Very high	96	Very high	118 Å²	118	33.9 Å²	33.9	51%	0.513	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133	177.1	-57.8	-175.1	178.6	-178.2	0	110.5	V419 R420 G421 L425	V419-K423 VanDerWaalsContact CA-O 3.3Å; V419-K423 WeakPolarHBondContact CA-O 3.45Å; R420-K423 PolarHBondContact N-O 2.86Å; R420-K423 PolarHBondContact O-N 3.48Å; G421-K423 VanDerWaalsContact C-N 3.33Å; G421-K423 PolarHBondContact O-N 3.35Å; K423-L425 PolarHBondContact O-N 3.14Å
424	E	96.5	Very high	95.9	Very high	20 Å²	20	33.9 Å²	33.9	9%	0.093	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	124.3	166.3	-70.8	-170.8	173.5	0	0	109.3	R415 V417 L418 V419 V600 S602 I603 L604	R415-E424 IonicContact CZ-OE1 3.12Å; R415-E424 IonicContact CZ-OE2 2.74Å; R415-E424 IonicContact NH1-OE1 2.66Å; R415-E424 PolarHBondContact NH1-OE1 3.31Å; R415-E424 IonicContact NH1-OE2 3.68Å; R415-E424 PolarHBondContact NH1-OE2 2.87Å; R415-E424 IonicContact NH2-OE1 3.08Å; R415-E424 IonicContact NH2-OE2 2.67Å; R415-E424 PolarHBondContact NH2-OE2 3.28Å; V417-E424 HydrophobicContact CB-CG 4.33Å; V417-E424 HydrophobicContact CG2-CG 4.14Å; L418-E424 WeakPolarHBondContact O-CA 3.4Å; V419-E424 HydrophobicContact CG2-CG 3.89Å; E424-V600 HydrophobicContact CG-CG1 4.16Å; E424-S602 PolarHBondContact N-O 2.79Å; E424-I603 WeakPolarHBondContact OE2-CG2 3.48Å; E424-L604 HydrophobicContact CB-CB 3.97Å; E424-L604 PolarHBondContact OE2-N 3.26Å
425	L	95.1	Very high	95.6	Very high	64 Å²	64	34.2 Å²	34.2	34%	0.335	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-45.6	-178.9	-67.5	-167.3	0	0	0	112.6	L418 R420 K423	L418-L425 PolarHBondContact O-N 2.57Å; R420-L425 HydrophobicContact CB-CD1 3.45Å; R420-L425 VanDerWaalsContact CB-CD1 3.45Å; R420-L425 HydrophobicContact CB-CG 3.94Å; R420-L425 HydrophobicContact CG-CD1 4.24Å; K423-L425 PolarHBondContact O-N 3.14Å
426	D	94.9	Very high	95.2	Very high	52 Å²	52	32 Å²	32	28%	0.278	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	148	-175.8	-71.7	-77.3	0	0	0	109.3	L418 K446 I448	L418-D426 PolarHBondContact N-O 2.92Å; D426-K446 IonicContact OD1-NZ 2.72Å; D426-I448 HydrophobicContact CB-CD1 4.25Å
427	V	94.6	Very high	94.5	Very high	46 Å²	46	33.4 Å²	33.4	28%	0.279	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	120	166.2	178.4	0	0	0	0	107.4	V417 E430 L604	V417-V427 HydrophobicContact CG1-CG2 4.17Å; V427-E430 HydrophobicContact CG1-CB 3.81Å; V427-L604 HydrophobicContact CG2-CD2 4.05Å
428	V	95.4	Very high	94.1	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.018	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-50.9	176.8	179	0	0	0	0	109.9	V400 T416 L418 L444 I448 L456 I486	V400-V428 HydrophobicContact CG1-CG1 4.43Å; T416-V428 HydrophobicContact CG2-CB 3.88Å; T416-V428 HydrophobicContact CG2-CG1 4.41Å; T416-V428 HydrophobicContact CG2-CG2 4.07Å; T416-V428 PolarHBondContact O-N 3.31Å; L418-V428 HydrophobicContact CB-CG2 4.45Å; V428-L444 HydrophobicContact CG1-CD1 4.48Å; V428-L444 WeakPolarHBondContact O-CD2 3.4Å; V428-I448 HydrophobicContact CB-CD1 4.19Å; V428-I448 HydrophobicContact CG1-CD1 4.47Å; V428-I448 HydrophobicContact CG2-CD1 4.03Å; V428-L456 HydrophobicContact CG2-CD2 4.04Å; V428-I486 HydrophobicContact CG1-CG2 3.97Å
429	Q	94.7	Very high	93.5	Very high	13 Å²	13	33.8 Å²	33.8	6%	0.061	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	145.6	169.1	-172.4	173.2	-19.6	0	0	109	S403 L405 T416	S403-Q429 PolarHBondContact O-OE1 3.42Å; S403-Q429 WeakPolarHBondContact OG-CB 3.18Å; S403-Q429 PolarHBondContact OG-OE1 3.17Å; L405-Q429 HydrophobicContact CD1-CG 3.91Å; L405-Q429 HydrophobicContact CD2-CB 4.24Å; L405-Q429 HydrophobicContact CD2-CG 4.25Å; L405-Q429 HydrophobicContact CG-CG 4.13Å; T416-Q429 PolarHBondContact N-O 3.13Å; T416-Q429 PolarHBondContact O-N 2.6Å
430	E	94.6	Very high	93	Very high	45 Å²	45	34.1 Å²	34.1	21%	0.21	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	143.4	172.4	-177.9	166.8	-148.3	0	0	109.3	V414 R415 V427 Q432	V414-E430 WeakPolarHBondContact O-CA 3.42Å; R415-E430 HydrophobicContact CB-CG 4.22Å; R415-E430 WeakPolarHBondContact CD-OE1 3.34Å; R415-E430 HydrophobicContact CG-CB 4.23Å; R415-E430 HydrophobicContact CG-CG 4.1Å; R415-E430 IonicContact NE-OE1 3.37Å; V427-E430 HydrophobicContact CG1-CB 3.81Å; E430-Q432 HydrophobicContact CG-CG 4.07Å; E430-Q432 PolarHBondContact OE1-NE2 2.85Å
431	D	95.4	Very high	92.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	101.9	167.4	-168.7	-7.3	0	0	0	108.5	G158 T159 L405 G413 V414 H433 F434 R442	G158-D431 WeakPolarHBondContact CA-OD1 3.39Å; T159-D431 WeakPolarHBondContact CB-OD2 3.43Å; T159-D431 VanDerWaalsContact N-CG 3.33Å; T159-D431 PolarHBondContact N-OD1 3.18Å; T159-D431 PolarHBondContact N-OD2 3.07Å; T159-D431 VanDerWaalsContact N-OD2 3.15Å; T159-D431 PolarHBondContact OG1-OD2 2.76Å; L405-D431 HydrophobicContact CD1-CB 3.57Å; G413-D431 VanDerWaalsContact CA-O 3.23Å; G413-D431 WeakPolarHBondContact CA-O 3.28Å; V414-D431 PolarHBondContact N-O 2.89Å; V414-D431 PolarHBondContact O-N 2.85Å; D431-H433 VanDerWaalsContact C-N 3.31Å; D431-H433 VanDerWaalsContact OD1-C 3.29Å; D431-H433 PolarHBondContact OD1-N 3.2Å; D431-F434 HydrophobicContact CB-CB 4.07Å; D431-F434 PolarHBondContact OD1-N 2.77Å; D431-F434 VanDerWaalsContact OD1-N 3.11Å; D431-R442 IonicContact OD2-CZ 3.49Å; D431-R442 IonicContact OD2-NH1 3.23Å; D431-R442 IonicContact OD2-NH2 3.72Å; D431-R442 PolarHBondContact OD2-NH2 3.43Å
432	Q	94.1	Very high	92.6	Very high	71 Å²	71	28.7 Å²	28.7	33%	0.332	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-26.8	179.8	-57.1	-164.2	-1.1	0	0	111.5	R86 E156 E430	R86-Q432 PolarHBondContact NH2-O 3.13Å; E156-Q432 PolarHBondContact OE1-OE1 3.39Å; E430-Q432 HydrophobicContact CG-CG 4.07Å; E430-Q432 PolarHBondContact OE1-NE2 2.85Å
433	H	95.6	Very high	92.5	Very high	26 Å²	26	30.9 Å²	30.9	12%	0.12	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	25.5	178.4	-61.7	-70.1	0	0	0	111.7	D85 R86 Y153 E156 T159 H161 D431 S435	D85-H433 PolarHBondContact O-ND1 2.84Å; D85-H433 IonicContact OD1-CE1 2.9Å; D85-H433 PolarHBondContact OD1-CE1 3.17Å; D85-H433 IonicContact OD1-CG 3.72Å; D85-H433 IonicContact OD1-ND1 2.66Å; D85-H433 PolarHBondContact OD1-ND1 2.76Å; R86-H433 VanDerWaalsContact NH1-C 3.28Å; Y153-H433 AromaticContact CE2-CE1 3.91Å; Y153-H433 AromaticContact CZ-NE2 3.93Å; Y153-H433 PolarHBondContact OH-CD2 3.39Å; Y153-H433 PolarHBondContact OH-NE2 2.92Å; E156-H433 IonicContact OE1-CD2 2.78Å; E156-H433 IonicContact OE1-NE2 3.8Å; T159-H433 WeakPolarHBondContact CB-O 3.11Å; T159-H433 WeakPolarHBondContact O-CB 3.38Å; H161-H433 PolarHBondContact CE1-O 2.83Å; D431-H433 VanDerWaalsContact C-N 3.31Å; D431-H433 VanDerWaalsContact OD1-C 3.29Å; D431-H433 PolarHBondContact OD1-N 3.2Å; H433-S435 PolarHBondContact O-N 3.15Å
434	F	95.2	Very high	92.2	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.018	14%	0.137	C	C	.	.			trans	-53.3	139.9	-178.8	176.9	-90.8	0	0	0	111.8	R86 L405 T407 R412 V414 D431 T436 Q439	R86-F434 PolarHBondContact NH1-O 2.79Å; L405-F434 HydrophobicContact CB-CD2 4Å; L405-F434 HydrophobicContact CB-CE2 3.8Å; L405-F434 HydrophobicContact CD1-CD2 4.45Å; L405-F434 WeakPolarHBondContact O-CE2 3.21Å; T407-F434 HydrophobicContact CG2-CE1 4.1Å; T407-F434 WeakPolarHBondContact OG1-CE1 3.24Å; R412-F434 PolarHBondContact O-N 3.16Å; V414-F434 HydrophobicContact CG2-CD1 4.44Å; V414-F434 HydrophobicContact CG2-CD2 4.48Å; V414-F434 HydrophobicContact CG2-CG 4.29Å; D431-F434 HydrophobicContact CB-CB 4.07Å; D431-F434 PolarHBondContact OD1-N 2.77Å; D431-F434 VanDerWaalsContact OD1-N 3.11Å; F434-T436 HydrophobicContact CE1-CG2 4.12Å; F434-Q439 HydrophobicContact CE2-CG 4.24Å; F434-Q439 HydrophobicContact CZ-CG 4Å
435	S	92.1	Very high	91.7	Very high	11 Å²	11	30.9 Å²	30.9	8%	0.077	16%	0.155	C	C	.	.			trans	-133.4	134.7	172.8	178.8	0	0	0	0	110.5	R188 H433 E437 Y438	R188-S435 WeakPolarHBondContact CD-OG 3.22Å; R188-S435 PolarHBondContact NE-OG 3.29Å; H433-S435 PolarHBondContact O-N 3.15Å; S435-E437 PolarHBondContact O-N 3.49Å; S435-E437 PolarHBondContact OG-N 2.8Å; S435-Y438 CarbonylContact O-C 3.46Å; S435-Y438 PolarHBondContact O-N 3.39Å
436	T	88	Confident	91.4	Very high	12 Å²	12	34.5 Å²	34.5	7%	0.074	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.9	174.8	49	0	0	0	0	113.8	H408 F434 Y438 Q439	H408-T436 WeakPolarHBondContact O-CG2 3.41Å; F434-T436 HydrophobicContact CE1-CG2 4.12Å; T436-Y438 PolarHBondContact O-N 2.99Å; T436-Q439 PolarHBondContact O-NE2 2.67Å
437	E	83.7	Confident	91.4	Very high	29 Å²	29	35.7 Å²	35.7	14%	0.136	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-25.1	179.2	-55.8	-54.2	136.4	0	0	110.8	H256 H257 H327 S435	H256-E437 VanDerWaalsContact CE1-C 3.45Å; H256-E437 PolarHBondContact CE1-O 3.09Å; H256-E437 PolarHBondContact ND1-O 3.17Å; H257-E437 PolarHBondContact ND1-O 2.8Å; H327-E437 IonicContact CE1-OE2 2.86Å; H327-E437 PolarHBondContact CE1-OE2 3.37Å; H327-E437 IonicContact ND1-OE2 4Å; H327-E437 IonicContact NE2-OE2 3.64Å; S435-E437 PolarHBondContact O-N 3.49Å; S435-E437 PolarHBondContact OG-N 2.8Å
438	Y	88.5	Confident	91.5	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	16%	0.162	C	C	.	.			trans	-125	84.6	-172.4	-168.4	-110.2	0	0	0	112.7	T159 R188 L190 A297 M298 S435 T436 T440	T159-Y438 HydrophobicContact CG2-CD1 3.8Å; T159-Y438 HydrophobicContact CG2-CG 4.47Å; R188-Y438 HydrophobicContact CB-CD1 4.19Å; R188-Y438 HydrophobicContact CB-CD2 3.99Å; R188-Y438 HydrophobicContact CB-CG 3.68Å; R188-Y438 WeakPolarHBondContact O-CE2 3.46Å; L190-Y438 HydrophobicContact CD2-CE1 3.77Å; L190-Y438 HydrophobicContact CG-CE1 3.78Å; L190-Y438 PolarHBondContact N-OH 3.38Å; A297-Y438 HydrophobicContact CB-CD2 3.61Å; A297-Y438 HydrophobicContact CB-CE2 3.55Å; M298-Y438 WeakPolarHBondContact O-CE2 3.37Å; M298-Y438 PolarHBondContact O-OH 3.48Å; S435-Y438 CarbonylContact O-C 3.46Å; S435-Y438 PolarHBondContact O-N 3.39Å; T436-Y438 PolarHBondContact O-N 2.99Å; Y438-T440 HydrophobicContact CE1-CG2 4.43Å; Y438-T440 HydrophobicContact CE2-CG2 4.31Å
439	Q	86.7	Confident	91.6	Very high	12 Å²	12	36.2 Å²	36.2	6%	0.056	17%	0.174	C	C	.	.			trans	-113.8	120.4	-179.1	-57.7	-175.9	43.2	0	0	109.9	H406 F434 T436	H406-Q439 PolarHBondContact ND1-OE1 3.17Å; F434-Q439 HydrophobicContact CE2-CG 4.24Å; F434-Q439 HydrophobicContact CZ-CG 4Å; T436-Q439 PolarHBondContact O-NE2 2.67Å
440	T	88.4	Confident	91.8	Very high	9 Å²	9	35.6 Å²	35.6	6%	0.055	17%	0.171	C	C	.	.			trans	-135.4	148.9	-178.1	52	0	0	0	0	110.4	A297 A300 Y438 R442	A297-T440 HydrophobicContact CB-CG2 3.37Å; A300-T440 HydrophobicContact CB-CG2 4.23Å; Y438-T440 HydrophobicContact CE1-CG2 4.43Å; Y438-T440 HydrophobicContact CE2-CG2 4.31Å; T440-R442 PolarHBondContact O-N 2.99Å
441	I	91.2	Very high	92	Very high	15 Å²	15	35.9 Å²	35.9	8%	0.077	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-77.7	118.9	165.7	-65.2	159.7	0	0	0	107.8	Y243 V292 A295 F303 A402 Q404	Y243-I441 WeakPolarHBondContact OH-CD1 3.4Å; V292-I441 HydrophobicContact CG1-CD1 4.44Å; A295-I441 HydrophobicContact CB-CD1 3.82Å; A295-I441 HydrophobicContact CB-CG1 3.95Å; F303-I441 HydrophobicContact CD2-CB 4.48Å; F303-I441 HydrophobicContact CD2-CG2 3.97Å; F303-I441 HydrophobicContact CE2-CB 4.42Å; F303-I441 HydrophobicContact CE2-CG2 3.46Å; F303-I441 VanDerWaalsContact CE2-CG2 3.46Å; F303-I441 HydrophobicContact CZ-CG2 3.99Å; A402-I441 HydrophobicContact CB-CG2 3.72Å; Q404-I441 HydrophobicContact CB-CB 4.47Å; Q404-I441 HydrophobicContact CB-CG1 3.77Å; Q404-I441 HydrophobicContact CG-CG1 4.27Å
442	R	90.6	Very high	92.1	Very high	35 Å²	35	38 Å²	38	13%	0.132	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.4	179.9	-58.2	-168.6	-168.6	160.7	4.1	110.2	T159 L190 A402 S403 D431 T440 L444	T159-R442 PolarHBondContact OG1-NH2 3.49Å; L190-R442 HydrophobicContact CD1-CG 3.83Å; L190-R442 VanDerWaalsContact CD2-NE 3.29Å; A402-R442 CarbonylContact C-O 3.56Å; A402-R442 WeakPolarHBondContact CA-O 3.27Å; A402-R442 VanDerWaalsContact CB-O 3.27Å; A402-R442 WeakPolarHBondContact CB-O 3.33Å; S403-R442 PolarHBondContact N-O 2.92Å; S403-R442 PolarHBondContact O-N 3Å; D431-R442 IonicContact OD2-CZ 3.49Å; D431-R442 IonicContact OD2-NH1 3.23Å; D431-R442 IonicContact OD2-NH2 3.72Å; D431-R442 PolarHBondContact OD2-NH2 3.43Å; T440-R442 PolarHBondContact O-N 2.99Å; R442-L444 PolarHBondContact O-N 2.88Å
443	V	90.9	Very high	92.3	Very high	63 Å²	63	35.6 Å²	35.6	38%	0.382	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	129	167.9	-179.5	0	0	0	0	108.3	F303	F303-V443 HydrophobicContact CD2-CG2 3.9Å; F303-V443 HydrophobicContact CE2-CG2 3.53Å; F303-V443 HydrophobicContact CZ-CG2 4.4Å
444	L	90.6	Very high	92.4	Very high	25 Å²	25	34.5 Å²	34.5	13%	0.131	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	136	177.1	-57.6	-172.1	0	0	0	109.5	V400 F401 V428 R442 K446 I448	V400-L444 HydrophobicContact CB-CD1 4.34Å; V400-L444 HydrophobicContact CG1-CD1 3.78Å; F401-L444 PolarHBondContact O-N 2.9Å; V428-L444 HydrophobicContact CG1-CD1 4.48Å; V428-L444 WeakPolarHBondContact O-CD2 3.4Å; R442-L444 PolarHBondContact O-N 2.88Å; L444-K446 WeakPolarHBondContact CB-O 3.34Å; L444-K446 PolarHBondContact O-N 3.49Å; L444-K446 VanDerWaalsContact O-N 3.16Å; L444-I448 HydrophobicContact CD1-CD1 3.96Å; L444-I448 HydrophobicContact CD1-CG1 4.25Å
445	K	85.4	Confident	92.6	Very high	112 Å²	112	35 Å²	35	49%	0.487	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	-33.2	174.5	-68.6	-178.8	178.8	175	0	112.1	E157 P194	E157-K445 WeakPolarHBondContact OE1-CD 3.29Å; E157-K445 WeakPolarHBondContact OE1-CE 3.25Å; E157-K445 IonicContact OE1-NZ 3.53Å; E157-K445 PolarHBondContact OE1-NZ 2.9Å; P194-K445 HydrophobicContact CG-CG 4.25Å
446	K	89.6	Confident	92.9	Very high	140 Å²	140	34.6 Å²	34.6	61%	0.609	18%	0.177	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.4	131.3	177	-179.5	-171.9	169.4	-160.9	0	108.7	D426 L444	D426-K446 IonicContact OD1-NZ 2.72Å; L444-K446 WeakPolarHBondContact CB-O 3.34Å; L444-K446 PolarHBondContact O-N 3.49Å; L444-K446 VanDerWaalsContact O-N 3.16Å
447	M	94.1	Very high	93.4	Very high	77 Å²	77	34.9 Å²	34.9	38%	0.379	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	138.8	172.7	-64.8	-170.5	-173.6	0	0	110.8	P306 V400 F401 Y489	P306-M447 HydrophobicContact CB-CE 3.86Å; P306-M447 HydrophobicContact CG-CE 3.73Å; V400-M447 CarbonylContact O-C 3.5Å; V400-M447 WeakPolarHBondContact O-CA 3.18Å; V400-M447 WeakPolarHBondContact O-CB 3.38Å; F401-M447 HydrophobicContact CB-CE 3.79Å; F401-M447 HydrophobicContact CB-CG 3.94Å; F401-M447 HydrophobicContact CB-SD 4.04Å; M447-Y489 HydrophobicContact CE-CE1 4.26Å; M447-Y489 HydrophobicContact SD-CE1 3.92Å; M447-Y489 PolarHBondContact SD-OH 2.71Å
448	I	96.7	Very high	94.1	Very high	8 Å²	8	33.6 Å²	33.6	4%	0.041	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.5	-177.1	-62.3	172.6	0	0	0	109.1	Y399 V400 L418 D426 V428 L444 I450	Y399-I448 WeakPolarHBondContact CA-O 3.43Å; V400-I448 PolarHBondContact N-O 2.86Å; V400-I448 PolarHBondContact O-N 3.43Å; L418-I448 HydrophobicContact CD2-CG2 3.72Å; D426-I448 HydrophobicContact CB-CD1 4.25Å; V428-I448 HydrophobicContact CB-CD1 4.19Å; V428-I448 HydrophobicContact CG1-CD1 4.47Å; V428-I448 HydrophobicContact CG2-CD1 4.03Å; L444-I448 HydrophobicContact CD1-CD1 3.96Å; L444-I448 HydrophobicContact CD1-CG1 4.25Å; I448-I450 HydrophobicContact CG2-CG1 4.23Å
449	N	97.8	Very high	94.6	Very high	52 Å²	52	37.5 Å²	37.5	28%	0.278	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	110.9	177	-175.3	10	0	0	0	111	I398 Y399 R420	I398-N449 WeakPolarHBondContact O-CA 3.17Å; I398-N449 PolarHBondContact O-OD1 3.43Å; Y399-N449 HydrophobicContact CD1-CB 4.01Å; Y399-N449 HydrophobicContact CE1-CB 3.76Å; R420-N449 PolarHBondContact NH2-O 2.86Å
450	I	98.4	Very high	95.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	119.5	178.7	-53.4	174.2	0	0	0	108.4	L393 G397 I398 V400 L418 I448 D454 L456 I486	L393-I450 HydrophobicContact CD1-CG2 3.86Å; G397-I450 CarbonylContact C-O 3.49Å; G397-I450 WeakPolarHBondContact CA-O 3.37Å; I398-I450 HydrophobicContact CD1-CB 4.49Å; I398-I450 HydrophobicContact CD1-CD1 4.39Å; I398-I450 HydrophobicContact CG1-CB 3.89Å; I398-I450 PolarHBondContact N-O 2.88Å; I398-I450 PolarHBondContact O-N 3.35Å; V400-I450 HydrophobicContact CG2-CD1 3.36Å; V400-I450 HydrophobicContact CG2-CG1 4.13Å; L418-I450 HydrophobicContact CD1-CG1 4.22Å; L418-I450 HydrophobicContact CD1-CG2 4.17Å; I448-I450 HydrophobicContact CG2-CG1 4.23Å; I450-D454 HydrophobicContact CG2-CB 4.16Å; I450-L456 HydrophobicContact CD1-CD1 3.94Å; I450-L456 HydrophobicContact CD1-CD2 3.76Å; I450-L456 HydrophobicContact CD1-CG 4.38Å; I450-L456 HydrophobicContact CG1-CD2 4.44Å; I450-L456 HydrophobicContact CG2-CD1 4.43Å; I450-I486 HydrophobicContact CD1-CD1 4.23Å
451	L	98.5	Very high	95.6	Very high	51 Å²	51	38.1 Å²	38.1	27%	0.267	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-102.2	157.7	-176.1	-64.1	178	0	0	0	111.6	G453 D454	L451-G453 PolarHBondContact O-N 3.15Å; L451-D454 PolarHBondContact N-OD2 2.83Å; L451-D454 WeakPolarHBondContact O-CB 3.1Å; L451-D454 PolarHBondContact O-N 3.46Å; L451-D454 VanDerWaalsContact O-N 3.12Å
452	P	98.4	Very high	95.9	Very high	45 Å²	45	37.5 Å²	37.5	29%	0.292	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	123.7	168.4	-25.1	34.3	0	0	0	111.5	R390 L393 P394	R390-P452 HydrophobicContact CG-CB 4.46Å; L393-P452 HydrophobicContact CB-CG 4.07Å; P394-P452 WeakPolarHBondContact O-CD 3.1Å; P394-P452 WeakPolarHBondContact O-CG 3.29Å
453	G	97.6	Very high	96.3	Very high	20 Å²	20	36.9 Å²	36.9	21%	0.206	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.6	-5.2	-179.1	0	0	0	0	0	115.2	S386 T389 L451	S386-G453 WeakPolarHBondContact CB-O 3.19Å; T389-G453 PolarHBondContact OG1-N 2.86Å; L451-G453 PolarHBondContact O-N 3.15Å
454	D	98.4	Very high	96.6	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.021	17%	0.172	C	C	.	.			trans	-74.4	158.7	169.3	-66.9	-15.9	0	0	0	111.9	S386 T389 L418 R420 I450 L451	S386-D454 VanDerWaalsContact CA-O 3.29Å; S386-D454 WeakPolarHBondContact CA-O 3.43Å; T389-D454 WeakPolarHBondContact CB-O 3.45Å; T389-D454 VanDerWaalsContact CG2-O 3.23Å; T389-D454 WeakPolarHBondContact CG2-O 3.48Å; T389-D454 PolarHBondContact OG1-N 2.55Å; T389-D454 PolarHBondContact OG1-O 3.34Å; L418-D454 HydrophobicContact CD1-CB 3.65Å; R420-D454 VanDerWaalsContact CG-OD1 3.31Å; R420-D454 WeakPolarHBondContact CG-OD1 3.35Å; R420-D454 IonicContact CZ-OD1 3.58Å; R420-D454 IonicContact CZ-OD2 3.45Å; R420-D454 IonicContact NE-OD1 2.73Å; R420-D454 PolarHBondContact NE-OD1 3.04Å; R420-D454 IonicContact NE-OD2 3.41Å; R420-D454 PolarHBondContact NE-OD2 2.94Å; R420-D454 IonicContact NH2-OD1 3.27Å; R420-D454 IonicContact NH2-OD2 3.59Å; R420-D454 PolarHBondContact NH2-OD2 2.79Å; I450-D454 HydrophobicContact CG2-CB 4.16Å; L451-D454 PolarHBondContact N-OD2 2.83Å; L451-D454 WeakPolarHBondContact O-CB 3.1Å; L451-D454 PolarHBondContact O-N 3.46Å; L451-D454 VanDerWaalsContact O-N 3.12Å
455	V	98.6	Very high	96.9	Very high	14 Å²	14	37.1 Å²	37.1	9%	0.085	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.3	172.8	178.1	0	0	0	0	108.6	C384 V419 I457 P598	C384-V455 VanDerWaalsContact O-CA 3.28Å; C384-V455 WeakPolarHBondContact O-CA 3.44Å; C384-V455 WeakPolarHBondContact O-CG1 3.42Å; V419-V455 HydrophobicContact CB-CB 4.14Å; V419-V455 PolarHBondContact N-O 3.16Å; V419-V455 PolarHBondContact O-N 3.36Å; V455-I457 HydrophobicContact CG1-CD1 4.4Å; V455-I457 HydrophobicContact CG1-CG1 3.84Å; V455-P598 HydrophobicContact CG1-CB 3.69Å; V455-P598 HydrophobicContact CG1-CG 3.79Å; V455-P598 HydrophobicContact CG2-CB 4.25Å
456	L	98.6	Very high	97.4	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.016	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	133.7	166.1	-57.8	150.5	0	0	0	108.7	L361 Y383 C384 V417 L418 V428 I450	L361-L456 HydrophobicContact CD1-CB 4.19Å; L361-L456 HydrophobicContact CD1-CD1 3.83Å; L361-L456 HydrophobicContact CD1-CG 4.41Å; L361-L456 HydrophobicContact CD2-CD1 3.75Å; L361-L456 HydrophobicContact CG-CD1 4.46Å; Y383-L456 WeakPolarHBondContact CA-O 3.35Å; C384-L456 HydrophobicContact CB-CB 3.85Å; C384-L456 HydrophobicContact CB-CD1 4.1Å; C384-L456 HydrophobicContact CB-CG 4.42Å; C384-L456 PolarHBondContact N-O 3.2Å; C384-L456 PolarHBondContact O-N 2.74Å; V417-L456 WeakPolarHBondContact O-CA 3.48Å; L418-L456 HydrophobicContact CB-CD2 4.35Å; L418-L456 HydrophobicContact CD1-CD2 3.94Å; V428-L456 HydrophobicContact CG2-CD2 4.04Å; I450-L456 HydrophobicContact CD1-CD1 3.94Å; I450-L456 HydrophobicContact CD1-CD2 3.76Å; I450-L456 HydrophobicContact CD1-CG 4.38Å; I450-L456 HydrophobicContact CG1-CD2 4.44Å; I450-L456 HydrophobicContact CG2-CD1 4.43Å
457	I	98.6	Very high	97.7	Very high	18 Å²	18	31 Å²	31	9%	0.092	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	119.7	-180	-50.7	-175.9	0	0	0	107.4	T381 Y383 T416 V417 V419 V455 V600	T381-I457 HydrophobicContact CG2-CG2 3.41Å; T381-I457 VanDerWaalsContact CG2-CG2 3.41Å; Y383-I457 HydrophobicContact CD1-CB 4.42Å; Y383-I457 HydrophobicContact CD1-CD1 4.44Å; Y383-I457 HydrophobicContact CD1-CG1 4.02Å; Y383-I457 HydrophobicContact CD1-CG2 4.02Å; Y383-I457 HydrophobicContact CE1-CD1 4.32Å; Y383-I457 HydrophobicContact CE1-CG1 4.29Å; Y383-I457 HydrophobicContact CE1-CG2 3.8Å; T416-I457 CarbonylContact C-O 3.53Å; T416-I457 WeakPolarHBondContact CA-O 3.32Å; V417-I457 HydrophobicContact CG2-CB 3.82Å; V417-I457 HydrophobicContact CG2-CG1 4.37Å; V417-I457 PolarHBondContact N-O 2.88Å; V417-I457 PolarHBondContact O-N 3.08Å; V419-I457 HydrophobicContact CG2-CD1 3.82Å; V419-I457 HydrophobicContact CG2-CG1 4.23Å; V455-I457 HydrophobicContact CG1-CD1 4.4Å; V455-I457 HydrophobicContact CG1-CG1 3.84Å; I457-V600 HydrophobicContact CD1-CG2 3.45Å; I457-V600 VanDerWaalsContact CD1-CG2 3.45Å
458	T	98.6	Very high	97.8	Very high	1 Å²	1	32 Å²	32	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	117.1	175.3	-61.2	0	0	0	0	108.6	T381 G382 V414 R415 T416 N484	T381-T458 WeakPolarHBondContact CA-O 3.2Å; G382-T458 PolarHBondContact N-O 2.9Å; G382-T458 PolarHBondContact O-N 3.25Å; V414-T458 HydrophobicContact CG1-CG2 4.01Å; R415-T458 CarbonylContact O-C 3.56Å; R415-T458 WeakPolarHBondContact O-CA 3.45Å; T416-T458 WeakPolarHBondContact CG2-OG1 3.31Å; T416-T458 WeakPolarHBondContact OG1-CG2 3.43Å; T416-T458 PolarHBondContact OG1-OG1 2.97Å; T458-N484 HydrophobicContact CG2-CB 4.23Å
459	K	98.3	Very high	97.7	Very high	84 Å²	84	38.9 Å²	38.9	37%	0.365	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.6	179.4	-177.5	173.8	177.5	180	0	109.2	Y379 L380 T381 V414 R415	Y379-K459 HydrophobicContact CD1-CD 4.36Å; Y379-K459 HydrophobicContact CD1-CG 4.41Å; L380-K459 WeakPolarHBondContact O-CA 3.11Å; T381-K459 HydrophobicContact CG2-CB 4.4Å; V414-K459 WeakPolarHBondContact CA-O 3.48Å; R415-K459 PolarHBondContact N-O 2.74Å; R415-K459 PolarHBondContact O-N 2.95Å
460	C	98.6	Very high	97.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	144.6	175.3	-60.1	0	0	0	0	110.4	Y379 L380 G413 Y462 C482	Y379-C460 WeakPolarHBondContact CA-O 3.38Å; L380-C460 PolarHBondContact N-O 2.62Å; L380-C460 PolarHBondContact O-N 2.69Å; G413-C460 CarbonylContact O-C 3.5Å; G413-C460 WeakPolarHBondContact O-CA 3.43Å; C460-Y462 HydrophobicContact CB-CD2 4.42Å; C460-Y462 HydrophobicContact CB-CE1 4.47Å; C460-Y462 HydrophobicContact CB-CE2 3.48Å; C460-Y462 VanDerWaalsContact CB-CE2 3.48Å; C460-Y462 VanDerWaalsContact CB-OH 3.32Å; C460-Y462 WeakPolarHBondContact CB-OH 3.03Å; C460-C482 HydrophobicContact CB-CB 3.82Å; C460-C482 WeakPolarHBondContact CB-SG 3.46Å; C460-C482 WeakPolarHBondContact SG-CA 3.13Å; C460-C482 WeakPolarHBondContact SG-CB 3.44Å; C460-C482 CovalentContact SG-SG 2.03Å; C460-C482 PolarHBondContact SG-SG 2.82Å
461	T	98.4	Very high	97.6	Very high	33 Å²	33	37.7 Å²	37.7	20%	0.202	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.1	178.6	-50.5	0	0	0	0	108.7	T377 Y379 R412 G413	T377-T461 HydrophobicContact CG2-CG2 3.74Å; Y379-T461 HydrophobicContact CD1-CG2 4.03Å; Y379-T461 WeakPolarHBondContact CD1-OG1 3.4Å; Y379-T461 HydrophobicContact CE1-CG2 3.66Å; Y379-T461 VanDerWaalsContact CE1-OG1 3.28Å; Y379-T461 WeakPolarHBondContact CE1-OG1 3.38Å; R412-T461 PolarHBondContact N-O 3.48Å; G413-T461 PolarHBondContact N-O 3.24Å; G413-T461 PolarHBondContact O-N 2.97Å
462	Y	98.3	Very high	97.5	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.008	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	151.4	-175.7	-58.3	-85.8	0	0	0	112.3	I371 T377 F378 L380 T407 A410 C460 E480 M481 C482	I371-Y462 HydrophobicContact CD1-CD1 3.58Å; I371-Y462 HydrophobicContact CD1-CD2 3.62Å; I371-Y462 HydrophobicContact CD1-CE1 4.08Å; I371-Y462 HydrophobicContact CD1-CE2 4.1Å; I371-Y462 HydrophobicContact CD1-CG 3.33Å; I371-Y462 HydrophobicContact CG1-CD2 4.08Å; I371-Y462 HydrophobicContact CG1-CG 4.19Å; T377-Y462 WeakPolarHBondContact CA-O 3.25Å; F378-Y462 PolarHBondContact N-O 2.96Å; F378-Y462 PolarHBondContact O-N 3.41Å; L380-Y462 HydrophobicContact CB-CE2 3.91Å; L380-Y462 HydrophobicContact CD1-CD2 4.33Å; L380-Y462 HydrophobicContact CD1-CE2 3.72Å; L380-Y462 HydrophobicContact CG-CD2 4.19Å; L380-Y462 HydrophobicContact CG-CE2 3.79Å; T407-Y462 HydrophobicContact CG2-CE1 4.34Å; A410-Y462 HydrophobicContact CB-CD1 4.12Å; A410-Y462 CarbonylContact O-C 3.57Å; A410-Y462 VanDerWaalsContact O-CA 3.24Å; A410-Y462 WeakPolarHBondContact O-CA 3.34Å; C460-Y462 HydrophobicContact CB-CD2 4.42Å; C460-Y462 HydrophobicContact CB-CE1 4.47Å; C460-Y462 HydrophobicContact CB-CE2 3.48Å; C460-Y462 VanDerWaalsContact CB-CE2 3.48Å; C460-Y462 VanDerWaalsContact CB-OH 3.32Å; C460-Y462 WeakPolarHBondContact CB-OH 3.03Å; Y462-E480 HydrophobicContact CD1-CG 4.2Å; Y462-E480 HydrophobicContact CE1-CB 4.29Å; Y462-E480 HydrophobicContact CE1-CG 4.04Å; Y462-E480 WeakPolarHBondContact CE1-OE2 3.5Å; Y462-M481 VanDerWaalsContact OH-C 3.31Å; Y462-M481 PolarHBondContact OH-O 2.79Å; Y462-C482 WeakPolarHBondContact OH-CA 3.19Å; Y462-C482 WeakPolarHBondContact OH-CB 3.43Å
463	N	97.9	Very high	97.2	Very high	22 Å²	22	34.1 Å²	34.1	12%	0.118	19%	0.185	C	C	.	.			trans	-123.8	125.6	168.5	-179.4	-66.4	0	0	0	109.2	Q375 H376 A410 R412 E465	Q375-N463 WeakPolarHBondContact O-CA 3.44Å; H376-N463 PolarHBondContact O-ND2 2.75Å; A410-N463 WeakPolarHBondContact CB-O 3.37Å; A410-N463 PolarHBondContact O-N 2.87Å; R412-N463 HydrophobicContact CG-CB 3.82Å; N463-E465 PolarHBondContact ND2-OE2 2.97Å; N463-E465 PolarHBondContact OD1-N 2.83Å
464	T	97.6	Very high	96.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.			trans	-126.4	25	-178.9	59	0	0	0	0	112	I371 P372 K374 Q375 A410 D466 R467	I371-T464 HydrophobicContact CB-CG2 4.19Å; I371-T464 HydrophobicContact CG2-CG2 3.57Å; P372-T464 PolarHBondContact O-OG1 2.59Å; K374-T464 WeakPolarHBondContact CA-O 3.35Å; K374-T464 PolarHBondContact N-O 2.82Å; K374-T464 PolarHBondContact N-OG1 2.94Å; Q375-T464 WeakPolarHBondContact CB-OG1 3.34Å; Q375-T464 PolarHBondContact N-OG1 3.07Å; Q375-T464 PolarHBondContact O-N 3.43Å; A410-T464 HydrophobicContact CB-CG2 4.07Å; T464-D466 PolarHBondContact O-N 3.23Å; T464-R467 HydrophobicContact CG2-CG 4.29Å; T464-R467 PolarHBondContact O-N 3.09Å
465	E	97.2	Very high	95.7	Very high	94 Å²	94	38.8 Å²	38.8	44%	0.439	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.4	178.3	-68.7	-176.2	105.5	0	0	112.3	K374 H376 N463	K374-E465 WeakPolarHBondContact CD-O 3.37Å; K374-E465 PolarHBondContact NZ-O 3Å; H376-E465 HydrophobicContact CB-CG 4.34Å; H376-E465 IonicContact CE1-OE2 3.52Å; H376-E465 IonicContact CG-OE2 2.63Å; H376-E465 IonicContact ND1-OE1 3.86Å; H376-E465 IonicContact ND1-OE2 3.56Å; H376-E465 PolarHBondContact ND1-OE2 3.09Å; N463-E465 PolarHBondContact ND2-OE2 2.97Å; N463-E465 PolarHBondContact OD1-N 2.83Å
466	D	95.8	Very high	94.5	Very high	101 Å²	101	39.6 Å²	39.6	54%	0.54	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-18.8	175.2	68.9	-41.9	0	0	0	113.3	T464	T464-D466 PolarHBondContact O-N 3.23Å
467	R	95.9	Very high	93.5	Very high	21 Å²	21	43 Å²	43	8%	0.079	23%	0.23	C	C	.	.			trans	-91.2	137.7	-174.9	-51.3	-58.6	172.2	105.7	-8.1	112.4	P373 K374 T464 M478	P373-R467 WeakPolarHBondContact CB-O 3.36Å; K374-R467 VanDerWaalsContact CD-O 3.27Å; K374-R467 WeakPolarHBondContact CD-O 3.25Å; K374-R467 WeakPolarHBondContact CE-O 3.07Å; K374-R467 PolarHBondContact NZ-O 2.86Å; T464-R467 HydrophobicContact CG2-CG 4.29Å; T464-R467 PolarHBondContact O-N 3.09Å; R467-M478 VanDerWaalsContact CZ-CE 3.41Å; R467-M478 PolarHBondContact NH1-O 3.48Å; R467-M478 PolarHBondContact NH1-SD 3.13Å
468	S	94.9	Very high	92.9	Very high	99 Å²	99	47.3 Å²	47.3	69%	0.692	25%	0.25	S	S	*	.	S	Bend	trans	-99.1	-12.3	175.4	58.2	0	0	0	0	114
469	K	95.3	Very high	92.4	Very high	153 Å²	153	50.6 Å²	50.6	67%	0.665	27%	0.266	S	S	*	.	S	Bend	trans	-123	154.3	179.8	-67.6	-175.1	-178.5	-177.7	0	109.4
470	P	95.9	Very high	92.2	Very high	22 Å²	22	46.9 Å²	46.9	14%	0.143	25%	0.249	C	C	.	.			trans	-59.1	143.2	174.1	26.2	-35.1	0	0	0	110.9	I371 W559	I371-P470 WeakPolarHBondContact O-CA 3.48Å; P470-W559 HydrophobicContact CB-CZ2 3.64Å; P470-W559 HydrophobicContact CG-CZ2 4.06Å
471	T	97.2	Very high	92.1	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	111	178.5	-64.2	0	0	0	0	108.5	A370 I371 E480	A370-T471 CarbonylContact C-O 3.57Å; A370-T471 VanDerWaalsContact CA-O 3.29Å; A370-T471 WeakPolarHBondContact CA-O 3.39Å; I371-T471 HydrophobicContact CD1-CG2 4.43Å; I371-T471 PolarHBondContact N-O 3.22Å; I371-T471 PolarHBondContact O-N 3.1Å; T471-E480 HydrophobicContact CG2-CB 3.99Å; T471-E480 HydrophobicContact CG2-CG 3.39Å
472	V	96.8	Very high	92	Very high	11 Å²	11	46.2 Å²	46.2	7%	0.067	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	158.3	-176.9	-61.5	0	0	0	0	111.4	P367 M369 A370 E479 E480 T551 Y554	P367-V472 HydrophobicContact CB-CB 4.05Å; P367-V472 HydrophobicContact CB-CG1 4.48Å; P367-V472 HydrophobicContact CB-CG2 4.23Å; M369-V472 CarbonylContact O-C 3.57Å; A370-V472 HydrophobicContact CB-CG1 4.03Å; V472-E479 HydrophobicContact CG2-CG 4.3Å; V472-E479 CarbonylContact O-C 3.59Å; V472-E479 VanDerWaalsContact O-CA 3.26Å; V472-E479 WeakPolarHBondContact O-CA 3.46Å; V472-E479 VanDerWaalsContact O-CB 3.3Å; V472-E479 WeakPolarHBondContact O-CB 3.48Å; V472-E480 PolarHBondContact O-N 3.11Å; V472-T551 HydrophobicContact CG1-CG2 4.47Å; V472-T551 HydrophobicContact CG2-CG2 4.23Å; V472-Y554 HydrophobicContact CG1-CD2 4.05Å
473	G	93.7	Very high	91.9	Very high	10 Å²	10	46.1 Å²	46.1	10%	0.103	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-67.2	134.2	172.5	0	0	0	0	0	111.9	T366 P367 M369 E480	T366-G473 CarbonylContact C-O 3.56Å; T366-G473 WeakPolarHBondContact O-CA 3.18Å; P367-G473 WeakPolarHBondContact CA-O 3.28Å; M369-G473 PolarHBondContact O-N 3.34Å; G473-E480 VanDerWaalsContact CA-O 3.28Å; G473-E480 WeakPolarHBondContact CA-O 3.4Å
474	G	86.6	Confident	91.9	Very high	5 Å²	5	45 Å²	45	5%	0.052	24%	0.238	C	C	.	.	S	Bend	trans	177	-167.2	-175.8	0	0	0	0	0	114.5	H408 E479 E480 M481	H408-G474 PolarHBondContact CE1-O 2.85Å; G474-E479 VanDerWaalsContact C-OE2 3.27Å; G474-E479 VanDerWaalsContact CA-OE2 3.25Å; G474-E479 WeakPolarHBondContact CA-OE2 3.33Å; G474-E480 PolarHBondContact N-O 3.26Å; G474-M481 VanDerWaalsContact O-CE 3.22Å; G474-M481 WeakPolarHBondContact O-CE 3.45Å; G474-M481 WeakPolarHBondContact O-CG 3.4Å
475	F	76.6	Confident	91.8	Very high	117 Å²	117	45.6 Å²	45.6	51%	0.513	24%	0.241	S	C	.	.	S	Bend	trans	-99.8	-20	-174.7	-66.3	-81.1	0	0	0	113.6	Y365 E479 M481	Y365-F475 HydrophobicContact CD2-CD1 4.27Å; Y365-F475 AromaticContact CD2-CE1 3.5Å; Y365-F475 HydrophobicContact CD2-CE1 3.5Å; Y365-F475 VanDerWaalsContact CD2-CE1 3.5Å; Y365-F475 AromaticContact CD2-CZ 3.77Å; Y365-F475 HydrophobicContact CD2-CZ 3.77Å; Y365-F475 HydrophobicContact CE2-CE1 4.19Å; Y365-F475 HydrophobicContact CG-CE1 4.27Å; Y365-F475 HydrophobicContact CG-CZ 4.37Å; F475-E479 PolarHBondContact N-OE2 3.18Å; F475-M481 HydrophobicContact CD1-CE 3.83Å; F475-M481 HydrophobicContact CE1-CE 4.45Å; F475-M481 HydrophobicContact CG-CE 4.44Å
476	G	74.5	Confident	91.8	Very high	31 Å²	31	41.1 Å²	41.1	32%	0.32	22%	0.22	S	C	.	.	S	Bend	trans	-75.5	148.3	179.9	0	0	0	0	0	111.7	H408 M478 E479	H408-G476 PolarHBondContact CE1-O 3.46Å; H408-G476 PolarHBondContact ND1-O 3.37Å; G476-M478 PolarHBondContact O-N 3.22Å; G476-E479 PolarHBondContact N-OE2 2.95Å; G476-E479 CarbonylContact O-C 3.37Å; G476-E479 WeakPolarHBondContact O-CA 3.45Å; G476-E479 VanDerWaalsContact O-CB 3.29Å; G476-E479 WeakPolarHBondContact O-CB 3.12Å; G476-E479 PolarHBondContact O-N 2.94Å
477	I	77.6	Confident	91.8	Very high	75 Å²	75	36.3 Å²	36.3	39%	0.385	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.7	177.9	59	165.8	0	0	0	114.6	D278	D278-I477 WeakPolarHBondContact OD1-CG2 3.19Å
478	M	84.3	Confident	91.8	Very high	108 Å²	108	35.4 Å²	35.4	53%	0.532	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-10.4	175.7	-63.7	-59.6	-76.8	0	0	113.3	L409 R467 G476	L409-M478 HydrophobicContact CD1-SD 4.26Å; R467-M478 VanDerWaalsContact CZ-CE 3.41Å; R467-M478 PolarHBondContact NH1-O 3.48Å; R467-M478 PolarHBondContact NH1-SD 3.13Å; G476-M478 PolarHBondContact O-N 3.22Å
479	E	89.8	Confident	92	Very high	70 Å²	70	31.8 Å²	31.8	33%	0.327	16%	0.162	S	C	.	.	S	Bend	trans	-84.4	178.7	161.8	-57.1	176.2	145.5	0	0	107.9	H408 V472 G474 F475 G476	H408-E479 WeakPolarHBondContact CB-O 3.35Å; H408-E479 PolarHBondContact ND1-O 3.5Å; V472-E479 HydrophobicContact CG2-CG 4.3Å; V472-E479 CarbonylContact O-C 3.59Å; V472-E479 VanDerWaalsContact O-CA 3.26Å; V472-E479 WeakPolarHBondContact O-CA 3.46Å; V472-E479 VanDerWaalsContact O-CB 3.3Å; V472-E479 WeakPolarHBondContact O-CB 3.48Å; G474-E479 VanDerWaalsContact C-OE2 3.27Å; G474-E479 VanDerWaalsContact CA-OE2 3.25Å; G474-E479 WeakPolarHBondContact CA-OE2 3.33Å; F475-E479 PolarHBondContact N-OE2 3.18Å; G476-E479 PolarHBondContact N-OE2 2.95Å; G476-E479 CarbonylContact O-C 3.37Å; G476-E479 WeakPolarHBondContact O-CA 3.45Å; G476-E479 VanDerWaalsContact O-CB 3.29Å; G476-E479 WeakPolarHBondContact O-CB 3.12Å; G476-E479 PolarHBondContact O-N 2.94Å
480	E	94.1	Very high	92	Very high	5 Å²	5	26.5 Å²	26.5	2%	0.023	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-127.3	158.8	-177.8	-85.6	-62.1	158.9	0	0	115.4	I371 H408 L409 A410 Y462 T471 V472 G473 G474	I371-E480 HydrophobicContact CD1-CB 4.15Å; I371-E480 HydrophobicContact CD1-CG 3.85Å; H408-E480 WeakPolarHBondContact CA-OE2 3.37Å; H408-E480 WeakPolarHBondContact CB-OE1 3.4Å; H408-E480 WeakPolarHBondContact CB-OE2 3.49Å; H408-E480 PolarHBondContact N-OE2 2.68Å; L409-E480 PolarHBondContact N-OE1 2.78Å; L409-E480 VanDerWaalsContact N-OE1 3.15Å; A410-E480 WeakPolarHBondContact CA-OE1 3.3Å; A410-E480 HydrophobicContact CB-CG 4.15Å; A410-E480 WeakPolarHBondContact CB-OE1 3.48Å; A410-E480 PolarHBondContact N-OE1 3.43Å; Y462-E480 HydrophobicContact CD1-CG 4.2Å; Y462-E480 HydrophobicContact CE1-CB 4.29Å; Y462-E480 HydrophobicContact CE1-CG 4.04Å; Y462-E480 WeakPolarHBondContact CE1-OE2 3.5Å; T471-E480 HydrophobicContact CG2-CB 3.99Å; T471-E480 HydrophobicContact CG2-CG 3.39Å; V472-E480 PolarHBondContact O-N 3.11Å; G473-E480 VanDerWaalsContact CA-O 3.28Å; G473-E480 WeakPolarHBondContact CA-O 3.4Å; G474-E480 PolarHBondContact N-O 3.26Å
481	M	95.2	Very high	92	Very high	18 Å²	18	29.3 Å²	29.3	9%	0.089	15%	0.151	C	C	.	.			trans	-132.4	151	172.7	-71.2	-163.1	-172.4	0	0	110.6	Y365 T407 Y462 G474 F475 V483	Y365-M481 HydrophobicContact CD1-CE 4.02Å; Y365-M481 HydrophobicContact CD1-CG 3.83Å; Y365-M481 HydrophobicContact CD1-SD 3.82Å; Y365-M481 HydrophobicContact CD2-CE 4.13Å; Y365-M481 HydrophobicContact CE1-CB 4.34Å; Y365-M481 HydrophobicContact CE1-CE 4.06Å; Y365-M481 HydrophobicContact CE1-CG 3.81Å; Y365-M481 HydrophobicContact CE1-SD 3.38Å; Y365-M481 WeakPolarHBondContact CE1-SD 3.5Å; Y365-M481 HydrophobicContact CE2-CE 4.15Å; Y365-M481 HydrophobicContact CE2-SD 4.27Å; Y365-M481 HydrophobicContact CG-CE 4.05Å; Y365-M481 HydrophobicContact CG-SD 4.42Å; T407-M481 WeakPolarHBondContact CA-O 3.29Å; T407-M481 WeakPolarHBondContact CB-O 3.26Å; Y462-M481 VanDerWaalsContact OH-C 3.31Å; Y462-M481 PolarHBondContact OH-O 2.79Å; G474-M481 VanDerWaalsContact O-CE 3.22Å; G474-M481 WeakPolarHBondContact O-CE 3.45Å; G474-M481 WeakPolarHBondContact O-CG 3.4Å; F475-M481 HydrophobicContact CD1-CE 3.83Å; F475-M481 HydrophobicContact CE1-CE 4.45Å; F475-M481 HydrophobicContact CG-CE 4.44Å; M481-V483 HydrophobicContact CB-CG2 4.17Å
482	C	97.4	Very high	91.9	Very high	1 Å²	1	30 Å²	30	1%	0.007	16%	0.155	C	C	.	.			trans	-131.2	98.8	168.6	-177.5	0	0	0	0	108.1	G362 L363 C460 Y462	G362-C482 WeakPolarHBondContact CA-O 3.49Å; L363-C482 HydrophobicContact CB-CB 4.03Å; L363-C482 HydrophobicContact CD1-CB 3.63Å; L363-C482 HydrophobicContact CG-CB 3.91Å; L363-C482 PolarHBondContact N-O 2.95Å; C460-C482 HydrophobicContact CB-CB 3.82Å; C460-C482 WeakPolarHBondContact CB-SG 3.46Å; C460-C482 WeakPolarHBondContact SG-CA 3.13Å; C460-C482 WeakPolarHBondContact SG-CB 3.44Å; C460-C482 CovalentContact SG-SG 2.03Å; C460-C482 PolarHBondContact SG-SG 2.82Å; Y462-C482 WeakPolarHBondContact OH-CA 3.19Å; Y462-C482 WeakPolarHBondContact OH-CB 3.43Å
483	V	96.3	Very high	91.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	139.8	-171.4	-170.8	0	0	0	0	111.4	E360 L361 Y365 H406 M481 Y485	E360-V483 HydrophobicContact CB-CG1 4.42Å; L361-V483 WeakPolarHBondContact O-CA 3.23Å; Y365-V483 HydrophobicContact CE1-CG2 3.55Å; Y365-V483 WeakPolarHBondContact OH-CG2 3.36Å; H406-V483 HydrophobicContact CB-CB 4.21Å; H406-V483 PolarHBondContact N-O 2.85Å; H406-V483 PolarHBondContact O-N 3.3Å; M481-V483 HydrophobicContact CB-CG2 4.17Å; V483-Y485 HydrophobicContact CB-CE2 4.22Å; V483-Y485 HydrophobicContact CG1-CD1 4.43Å; V483-Y485 HydrophobicContact CG1-CD2 3.84Å; V483-Y485 HydrophobicContact CG1-CE1 4.16Å; V483-Y485 HydrophobicContact CG1-CE2 3.54Å; V483-Y485 HydrophobicContact CG1-CG 4.27Å
484	N	97.1	Very high	91.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	118.5	160.2	-178.4	-11.9	0	0	0	108.7	L361 S403 Q404 L405 T416 T458	L361-N484 HydrophobicContact CB-CB 4.35Å; L361-N484 PolarHBondContact N-O 2.82Å; L361-N484 PolarHBondContact O-N 2.96Å; S403-N484 PolarHBondContact OG-ND2 2.85Å; S403-N484 VanDerWaalsContact OG-ND2 3.09Å; S403-N484 PolarHBondContact OG-OD1 3.15Å; Q404-N484 CarbonylContact O-C 3.48Å; Q404-N484 WeakPolarHBondContact O-CA 3.19Å; Q404-N484 PolarHBondContact O-OD1 3.12Å; L405-N484 HydrophobicContact CD2-CB 4.11Å; T416-N484 VanDerWaalsContact CB-ND2 3.31Å; T416-N484 WeakPolarHBondContact CB-ND2 3.19Å; T416-N484 WeakPolarHBondContact OG1-CB 3.29Å; T416-N484 PolarHBondContact OG1-ND2 3.01Å; T458-N484 HydrophobicContact CG2-CB 4.23Å
485	Y	95.3	Very high	91.8	Very high	12 Å²	12	35.1 Å²	35.1	5%	0.047	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	107.2	170.3	-60.9	-88.8	0	0	0	109.2	V292 I358 M359 E360 S403 Q404 H406 V483	V292-Y485 HydrophobicContact CG2-CD1 4.11Å; V292-Y485 HydrophobicContact CG2-CD2 4.33Å; V292-Y485 HydrophobicContact CG2-CE1 3.92Å; V292-Y485 HydrophobicContact CG2-CE2 4.15Å; V292-Y485 HydrophobicContact CG2-CG 4.32Å; I358-Y485 HydrophobicContact CG2-CD1 4.25Å; M359-Y485 WeakPolarHBondContact O-CA 3.43Å; E360-Y485 HydrophobicContact CB-CE1 4.5Å; E360-Y485 HydrophobicContact CG-CD1 3.76Å; E360-Y485 HydrophobicContact CG-CE1 3.54Å; S403-Y485 CarbonylContact C-O 3.49Å; S403-Y485 VanDerWaalsContact CA-O 3.28Å; S403-Y485 WeakPolarHBondContact CA-O 3.35Å; Q404-Y485 PolarHBondContact N-O 3.02Å; Q404-Y485 PolarHBondContact O-N 3.48Å; H406-Y485 HydrophobicContact CB-CD2 4.42Å; H406-Y485 HydrophobicContact CB-CE2 3.95Å; V483-Y485 HydrophobicContact CB-CE2 4.22Å; V483-Y485 HydrophobicContact CG1-CD1 4.43Å; V483-Y485 HydrophobicContact CG1-CD2 3.84Å; V483-Y485 HydrophobicContact CG1-CE1 4.16Å; V483-Y485 HydrophobicContact CG1-CE2 3.54Å; V483-Y485 HydrophobicContact CG1-CG 4.27Å
486	I	96.6	Very high	92.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	133.5	174.3	58	161.6	0	0	0	110.4	I358 M359 L361 I398 V400 V428 I450	I358-I486 WeakPolarHBondContact CA-O 3.15Å; M359-I486 HydrophobicContact CB-CD1 4.18Å; M359-I486 HydrophobicContact CB-CG1 3.83Å; M359-I486 PolarHBondContact N-O 2.84Å; M359-I486 WeakPolarHBondContact O-CG1 3.48Å; M359-I486 PolarHBondContact O-N 3.28Å; M359-I486 HydrophobicContact SD-CD1 4.15Å; L361-I486 HydrophobicContact CD1-CD1 4.03Å; L361-I486 HydrophobicContact CD1-CG1 4.11Å; L361-I486 HydrophobicContact CD1-CG2 3.7Å; L361-I486 HydrophobicContact CD2-CD1 4.47Å; L361-I486 HydrophobicContact CG-CD1 4.39Å; L361-I486 HydrophobicContact CG-CG1 4.24Å; L361-I486 HydrophobicContact CG-CG2 4.48Å; I398-I486 HydrophobicContact CD1-CD1 4.49Å; V400-I486 HydrophobicContact CG1-CB 3.85Å; V400-I486 HydrophobicContact CG1-CG2 4.12Å; V400-I486 HydrophobicContact CG2-CB 4.36Å; V400-I486 HydrophobicContact CG2-CD1 3.81Å; V428-I486 HydrophobicContact CG1-CG2 3.97Å; I450-I486 HydrophobicContact CD1-CD1 4.23Å
487	H	95.9	Very high	93.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.8	172.2	-62.6	-113.1	0	0	0	108.9	G357 V400 F401 A402	G357-H487 WeakPolarHBondContact O-CA 3.46Å; V400-H487 WeakPolarHBondContact CA-O 3.42Å; F401-H487 VanDerWaalsContact CD1-O 3.29Å; F401-H487 WeakPolarHBondContact CD1-O 3.36Å; F401-H487 HydrophobicContact CD2-CB 4.43Å; F401-H487 HydrophobicContact CE1-CB 4.07Å; F401-H487 HydrophobicContact CE2-CB 3.83Å; F401-H487 HydrophobicContact CZ-CB 3.63Å; F401-H487 PolarHBondContact N-O 2.91Å; A402-H487 HydrophobicContact CB-CB 4Å; A402-H487 PolarHBondContact N-O 2.8Å; A402-H487 PolarHBondContact O-N 3.06Å
488	Y	97.3	Very high	94.5	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.008	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	165.8	-169.5	73.4	-87.6	0	0	0	113.6	A356 G357 M359 I398 Y399 P490 T492 L494	A356-Y488 CarbonylContact C-O 3.58Å; A356-Y488 VanDerWaalsContact CA-O 3.32Å; A356-Y488 WeakPolarHBondContact CA-O 3.47Å; G357-Y488 PolarHBondContact N-O 2.8Å; G357-Y488 WeakPolarHBondContact O-CD1 3.35Å; G357-Y488 PolarHBondContact O-N 3.2Å; M359-Y488 HydrophobicContact CB-CD1 4.18Å; M359-Y488 HydrophobicContact CB-CE1 3.64Å; M359-Y488 HydrophobicContact CE-CE1 3.88Å; I398-Y488 HydrophobicContact CB-CD2 3.61Å; I398-Y488 HydrophobicContact CB-CE2 4.26Å; I398-Y488 HydrophobicContact CB-CG 4.31Å; I398-Y488 HydrophobicContact CD1-CD1 4.33Å; I398-Y488 HydrophobicContact CD1-CD2 3.68Å; I398-Y488 HydrophobicContact CD1-CE2 4.09Å; I398-Y488 HydrophobicContact CD1-CG 3.79Å; I398-Y488 HydrophobicContact CG1-CD2 4.21Å; I398-Y488 HydrophobicContact CG2-CD2 3.58Å; I398-Y488 HydrophobicContact CG2-CE2 3.73Å; Y399-Y488 CarbonylContact O-C 3.57Å; Y399-Y488 WeakPolarHBondContact O-CA 3.22Å; Y399-Y488 WeakPolarHBondContact O-CB 2.95Å; Y488-P490 VanDerWaalsContact CE2-O 3.26Å; Y488-P490 WeakPolarHBondContact CE2-O 3.48Å; Y488-T492 HydrophobicContact CE2-CG2 4.05Å; Y488-T492 PolarHBondContact OH-N 3.22Å; Y488-T492 PolarHBondContact OH-OG1 2.74Å; Y488-L494 PolarHBondContact OH-O 2.85Å; Y488-L494 VanDerWaalsContact OH-O 3.1Å
489	Y	97.7	Very high	95.2	Very high	23 Å²	23	20.1 Å²	20.1	9%	0.09	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	157.5	166.6	64.9	-93.6	0	0	0	111.1	P306 A309 Y354 Y399 F401 M447	P306-Y489 HydrophobicContact CB-CE1 4.2Å; P306-Y489 HydrophobicContact CG-CE1 4.1Å; A309-Y489 HydrophobicContact CB-CD1 3.69Å; A309-Y489 HydrophobicContact CB-CE1 4.45Å; A309-Y489 HydrophobicContact CB-CG 3.77Å; Y354-Y489 AromaticContact CD2-CD2 3.71Å; Y354-Y489 HydrophobicContact CD2-CD2 3.71Å; Y354-Y489 HydrophobicContact CD2-CE2 4.13Å; Y354-Y489 HydrophobicContact CE2-CD2 4.31Å; Y354-Y489 HydrophobicContact CE2-CE2 4.43Å; Y354-Y489 HydrophobicContact CG-CD2 4.13Å; Y399-Y489 HydrophobicContact CD2-CE2 4.12Å; Y399-Y489 HydrophobicContact CG-CE2 4.34Å; Y399-Y489 PolarHBondContact N-O 3.06Å; Y399-Y489 PolarHBondContact O-N 2.84Å; F401-Y489 AromaticContact CD1-CD1 3.62Å; F401-Y489 HydrophobicContact CD1-CD1 3.62Å; F401-Y489 AromaticContact CD1-CE1 3.94Å; F401-Y489 HydrophobicContact CD1-CE1 3.94Å; F401-Y489 AromaticContact CE1-CD1 3.87Å; F401-Y489 HydrophobicContact CE1-CD1 3.87Å; M447-Y489 HydrophobicContact CE-CE1 4.26Å; M447-Y489 HydrophobicContact SD-CE1 3.92Å; M447-Y489 PolarHBondContact SD-OH 2.71Å
490	P	97.1	Very high	95.6	Very high	42 Å²	42	17.5 Å²	17.5	27%	0.273	8%	0.083	S	C	.	.	S	Bend	cis	-68.5	147.2	-9.1	30.9	-35.2	0	0	0	111.7	Y354 Y488 T492	Y354-P490 HydrophobicContact CD1-CB 3.82Å; Y354-P490 HydrophobicContact CE1-CB 4.37Å; Y354-P490 HydrophobicContact CG-CB 4.41Å; Y488-P490 VanDerWaalsContact CE2-O 3.26Å; Y488-P490 WeakPolarHBondContact CE2-O 3.48Å; P490-T492 PolarHBondContact O-N 3.48Å
491	R	95.1	Very high	95.8	Very high	81 Å²	81	17.5 Å²	17.5	31%	0.306	8%	0.083	S	C	.	.			trans	-53.6	133.4	174.9	-177.7	176	-179.3	171.3	5.3	111.1	D355	D355-R491 HydrophobicContact CB-CB 3.8Å; D355-R491 WeakPolarHBondContact O-CB 3.31Å; D355-R491 PolarHBondContact O-N 3.3Å
492	T	94.4	Very high	95.9	Very high	19 Å²	19	17 Å²	17	12%	0.117	8%	0.081	C	C	.	.			trans	-113.1	179.3	172.6	74.3	0	0	0	0	110.5	L393 P394 I398 Y488 P490 L494	L393-T492 HydrophobicContact CD2-CG2 4.31Å; P394-T492 HydrophobicContact CG-CG2 4.39Å; I398-T492 HydrophobicContact CG2-CG2 3.8Å; Y488-T492 HydrophobicContact CE2-CG2 4.05Å; Y488-T492 PolarHBondContact OH-N 3.22Å; Y488-T492 PolarHBondContact OH-OG1 2.74Å; P490-T492 PolarHBondContact O-N 3.48Å; T492-L494 VanDerWaalsContact C-N 3.29Å; T492-L494 WeakPolarHBondContact OG1-CB 3.46Å; T492-L494 PolarHBondContact OG1-N 2.9Å
493	Q	92.2	Very high	95.7	Very high	121 Å²	121	19.5 Å²	19.5	57%	0.565	10%	0.097	S	C	*	.	S	Bend	trans	-78.1	-15.1	169.3	-67.7	-178.9	4.4	0	0	112.4	E495 Q582 S583 F588	Q493-E495 PolarHBondContact O-N 2.91Å; Q493-Q582 HydrophobicContact CB-CG 4.45Å; Q493-Q582 CarbonylContact O-C 3.59Å; Q493-Q582 WeakPolarHBondContact O-CA 3.49Å; Q493-S583 PolarHBondContact O-N 3.41Å; Q493-F588 HydrophobicContact CB-CZ 3.94Å
494	L	94.4	Very high	95.6	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	117.5	179.8	-175.4	60.5	0	0	0	110.3	M359 A392 L393 Y488 T492 C497 F588	M359-L494 HydrophobicContact CE-CB 3.96Å; M359-L494 HydrophobicContact CE-CD2 3.54Å; M359-L494 HydrophobicContact CE-CG 3.72Å; M359-L494 HydrophobicContact CG-CG 4.42Å; M359-L494 HydrophobicContact SD-CD2 3.63Å; M359-L494 HydrophobicContact SD-CG 3.9Å; A392-L494 HydrophobicContact CB-CB 3.9Å; A392-L494 HydrophobicContact CB-CD1 4.14Å; A392-L494 HydrophobicContact CB-CD2 3.95Å; A392-L494 HydrophobicContact CB-CG 4.21Å; L393-L494 HydrophobicContact CD2-CD2 4.24Å; Y488-L494 PolarHBondContact OH-O 2.85Å; Y488-L494 VanDerWaalsContact OH-O 3.1Å; T492-L494 VanDerWaalsContact C-N 3.29Å; T492-L494 WeakPolarHBondContact OG1-CB 3.46Å; T492-L494 PolarHBondContact OG1-N 2.9Å; L494-C497 HydrophobicContact CD1-CB 4.29Å; L494-C497 HydrophobicContact CD2-CB 4.18Å; L494-C497 HydrophobicContact CG-CB 4.43Å; L494-F588 HydrophobicContact CB-CE2 4.22Å; L494-F588 HydrophobicContact CB-CZ 4.39Å; L494-F588 HydrophobicContact CD1-CD2 4.34Å; L494-F588 HydrophobicContact CD1-CE2 3.84Å
495	E	88.7	Confident	95.6	Very high	12 Å²	12	25.4 Å²	25.4	6%	0.056	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	-42.5	-178	-175.5	168.2	-86.8	0	0	111.4	H291 M359 E360 Q493 N581 S583	H291-E495 IonicContact CE1-OE1 3.78Å; H291-E495 PolarHBondContact CE1-OE1 2.78Å; H291-E495 IonicContact CE1-OE2 2.8Å; H291-E495 IonicContact ND1-OE1 3.91Å; H291-E495 IonicContact NE2-OE1 3.9Å; H291-E495 PolarHBondContact NE2-OE1 3.16Å; H291-E495 IonicContact NE2-OE2 2.87Å; H291-E495 PolarHBondContact NE2-OE2 3.23Å; M359-E495 CarbonylContact C-O 3.49Å; M359-E495 WeakPolarHBondContact CA-O 2.81Å; E360-E495 PolarHBondContact N-O 3.47Å; Q493-E495 PolarHBondContact O-N 2.91Å; E495-N581 PolarHBondContact N-O 2.77Å; E495-S583 WeakPolarHBondContact OE1-CA 3.32Å; E495-S583 VanDerWaalsContact OE1-CB 3.32Å; E495-S583 WeakPolarHBondContact OE1-CB 3.2Å; E495-S583 PolarHBondContact OE1-OG 3.39Å; E495-S583 WeakPolarHBondContact OE2-CA 3.44Å
496	L	91.9	Very high	95.7	Very high	15 Å²	15	24.9 Å²	24.9	8%	0.079	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	116.6	178.7	-165	133.5	0	0	0	108.8	K498 H579 N581	L496-K498 HydrophobicContact CD1-CD 4.04Å; L496-K498 HydrophobicContact CD2-CB 3.83Å; L496-K498 HydrophobicContact CD2-CD 4.14Å; L496-K498 HydrophobicContact CD2-CG 3.98Å; L496-K498 HydrophobicContact CG-CB 4.31Å; L496-K498 HydrophobicContact CG-CD 3.88Å; L496-K498 HydrophobicContact CG-CG 3.89Å; L496-H579 CarbonylContact C-O 3.56Å; L496-H579 HydrophobicContact CD2-CB 3.45Å; L496-H579 VanDerWaalsContact CD2-CB 3.45Å; L496-N581 HydrophobicContact CB-CB 4.05Å; L496-N581 PolarHBondContact N-O 2.88Å; L496-N581 PolarHBondContact O-N 2.98Å
497	C	97.3	Very high	95.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	81	172.7	-158.6	0	0	0	0	109.1	M359 E360 L361 C384 C388 L494 M578 H579	M359-C497 HydrophobicContact CG-CB 4.42Å; M359-C497 HydrophobicContact SD-CB 4.02Å; E360-C497 PolarHBondContact O-N 3.26Å; L361-C497 HydrophobicContact CD2-CB 4Å; C384-C497 WeakPolarHBondContact CA-SG 3.21Å; C384-C497 HydrophobicContact CB-CB 3.76Å; C384-C497 WeakPolarHBondContact CB-SG 3.26Å; C384-C497 WeakPolarHBondContact SG-CB 3.37Å; C384-C497 CovalentContact SG-SG 2.01Å; C384-C497 PolarHBondContact SG-SG 3.39Å; C388-C497 PolarHBondContact SG-SG 3.46Å; L494-C497 HydrophobicContact CD1-CB 4.29Å; L494-C497 HydrophobicContact CD2-CB 4.18Å; L494-C497 HydrophobicContact CG-CB 4.43Å; C497-M578 HydrophobicContact CB-CE 4.37Å; C497-M578 WeakPolarHBondContact SG-CE 3.48Å; C497-H579 WeakPolarHBondContact CA-O 3.39Å
498	K	97.5	Very high	95.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	168.8	-171.9	-64.1	-171.4	-179.1	-174	0	111.9	E360 G362 L363 V364 Y365 Y383 L496 M578 H579	E360-K498 VanDerWaalsContact OE2-CE 3.25Å; E360-K498 WeakPolarHBondContact OE2-CE 3.33Å; E360-K498 IonicContact OE2-NZ 3.88Å; E360-K498 PolarHBondContact OE2-NZ 2.56Å; G362-K498 WeakPolarHBondContact O-CA 3.24Å; G362-K498 VanDerWaalsContact O-CB 3.26Å; G362-K498 WeakPolarHBondContact O-CB 3.36Å; L363-K498 WeakPolarHBondContact O-CD 3.34Å; V364-K498 HydrophobicContact CG2-CB 3.63Å; Y365-K498 VanDerWaalsContact CE1-NZ 3.26Å; Y365-K498 PolarHBondContact OH-NZ 3.25Å; Y383-K498 CarbonylContact O-C 3.56Å; L496-K498 HydrophobicContact CD1-CD 4.04Å; L496-K498 HydrophobicContact CD2-CB 3.83Å; L496-K498 HydrophobicContact CD2-CD 4.14Å; L496-K498 HydrophobicContact CD2-CG 3.98Å; L496-K498 HydrophobicContact CG-CB 4.31Å; L496-K498 HydrophobicContact CG-CD 3.88Å; L496-K498 HydrophobicContact CG-CG 3.89Å; K498-M578 WeakPolarHBondContact O-CE 3.45Å; K498-H579 PolarHBondContact N-O 3.26Å; K498-H579 PolarHBondContact O-N 3.49Å
499	S	98.4	Very high	95.4	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.007	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	169.8	174.8	66.2	0	0	0	0	112.6	G362 L363 V364 Y383 S577	G362-S499 PolarHBondContact O-N 3.42Å; L363-S499 WeakPolarHBondContact CA-O 3.3Å; L363-S499 VanDerWaalsContact CD2-O 3.31Å; L363-S499 WeakPolarHBondContact CD2-O 3.21Å; V364-S499 PolarHBondContact N-O 2.99Å; Y383-S499 WeakPolarHBondContact CD2-OG 3.45Å; Y383-S499 PolarHBondContact N-OG 3.29Å; S499-S577 VanDerWaalsContact CA-O 3.28Å; S499-S577 WeakPolarHBondContact CA-O 3.43Å
500	H	97.8	Very high	95.2	Very high	14 Å²	14	33.7 Å²	33.7	7%	0.065	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	168.1	161.9	60.4	82.5	0	0	0	109.2	T366 M369 I576 S577 H579	T366-H500 HydrophobicContact CG2-CB 3.98Å; M369-H500 HydrophobicContact CG-CB 3.87Å; M369-H500 HydrophobicContact SD-CB 3.82Å; H500-I576 CarbonylContact O-C 3.53Å; H500-I576 VanDerWaalsContact O-CA 3.27Å; H500-I576 WeakPolarHBondContact O-CA 2.98Å; H500-I576 WeakPolarHBondContact O-CB 3.46Å; H500-S577 WeakPolarHBondContact CE1-CB 3.41Å; H500-S577 PolarHBondContact N-O 3.18Å; H500-S577 VanDerWaalsContact N-O 3.1Å; H500-S577 PolarHBondContact O-N 2.84Å; H500-H579 AromaticContact CD2-CD2 3.81Å; H500-H579 AromaticContact CD2-NE2 3.35Å; H500-H579 PolarHBondContact CD2-NE2 3.31Å; H500-H579 AromaticContact NE2-CD2 3.8Å; H500-H579 AromaticContact NE2-CE1 3.97Å; H500-H579 AromaticContact NE2-NE2 3Å; H500-H579 PolarHBondContact NE2-NE2 3.14Å
501	V	97.8	Very high	95	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.03	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	145.7	174.2	66.2	0	0	0	0	111	V368 M369 P503 L506 L570 Y571 A574	V368-V501 HydrophobicContact CG1-CG1 3.5Å; V368-V501 VanDerWaalsContact CG1-CG1 3.5Å; V368-V501 WeakPolarHBondContact CG1-O 3.39Å; M369-V501 HydrophobicContact SD-CB 4.14Å; M369-V501 HydrophobicContact SD-CG1 3.86Å; M369-V501 PolarHBondContact SD-N 2.88Å; V501-P503 WeakPolarHBondContact O-CD 2.99Å; V501-L506 HydrophobicContact CG1-CB 4.43Å; V501-L570 HydrophobicContact CG2-CD1 4.41Å; V501-L570 HydrophobicContact CG2-CD2 4.4Å; V501-L570 HydrophobicContact CG2-CG 4.18Å; V501-Y571 HydrophobicContact CB-CD1 4.03Å; V501-Y571 HydrophobicContact CB-CE1 4.29Å; V501-Y571 HydrophobicContact CG1-CD1 3.99Å; V501-Y571 HydrophobicContact CG1-CE1 3.73Å; V501-Y571 HydrophobicContact CG2-CD1 4.47Å; V501-A574 HydrophobicContact CG2-CB 3.78Å
502	D	97.3	Very high	94.8	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.043	19%	0.189	C	C	.	.			trans	-57.6	124.8	175.5	176.6	-88.6	0	0	0	110.8	G504 Y505 L506 P575 K594	D502-G504 PolarHBondContact O-N 2.7Å; D502-G504 VanDerWaalsContact OD1-CA 3.23Å; D502-G504 WeakPolarHBondContact OD1-CA 3.44Å; D502-G504 PolarHBondContact OD1-N 3.21Å; D502-Y505 HydrophobicContact CB-CD2 3.95Å; D502-Y505 PolarHBondContact O-N 2.95Å; D502-Y505 VanDerWaalsContact O-N 3.12Å; D502-Y505 WeakPolarHBondContact OD1-CD2 3.37Å; D502-Y505 PolarHBondContact OD1-N 3.02Å; D502-Y505 VanDerWaalsContact OD1-N 3.07Å; D502-L506 PolarHBondContact O-N 2.78Å; D502-L506 VanDerWaalsContact O-N 3.13Å; D502-P575 WeakPolarHBondContact CB-O 3.48Å; D502-P575 PolarHBondContact N-O 2.83Å; D502-K594 WeakPolarHBondContact OD2-CE 3.39Å; D502-K594 WeakPolarHBondContact OD2-CG 3.32Å
503	P	94.5	Very high	94.6	Very high	54 Å²	54	35.7 Å²	35.7	35%	0.351	18%	0.184	S	C	.	.	H	α-helix	trans	-58.4	-32.1	-178	-27.4	35.3	0	0	0	113.8	V501 L506 Q507	V501-P503 WeakPolarHBondContact O-CD 2.99Å; P503-L506 PolarHBondContact O-N 3.01Å; P503-Q507 WeakPolarHBondContact O-CG 3.31Å; P503-Q507 PolarHBondContact O-N 3.42Å
504	G	94.5	Very high	94.3	Very high	36 Å²	36	33.8 Å²	33.8	37%	0.371	18%	0.178	S	C	.	.	H	α-helix	trans	-68.5	-36.1	178.7	0	0	0	0	0	112.9	D502 Q507 K508	D502-G504 PolarHBondContact O-N 2.7Å; D502-G504 VanDerWaalsContact OD1-CA 3.23Å; D502-G504 WeakPolarHBondContact OD1-CA 3.44Å; D502-G504 PolarHBondContact OD1-N 3.21Å; G504-Q507 PolarHBondContact O-N 3.49Å; G504-K508 WeakPolarHBondContact O-CG 3.41Å; G504-K508 PolarHBondContact O-N 3.29Å
505	Y	96.6	Very high	93.7	Very high	88 Å²	88	37.3 Å²	37.3	35%	0.345	20%	0.202	S	C	.	.	H	α-helix	trans	-70.1	-36.3	171.7	-80.5	-97.7	0	0	0	112	D502 Q507 K508 Y509 A574 P575	D502-Y505 HydrophobicContact CB-CD2 3.95Å; D502-Y505 PolarHBondContact O-N 2.95Å; D502-Y505 VanDerWaalsContact O-N 3.12Å; D502-Y505 WeakPolarHBondContact OD1-CD2 3.37Å; D502-Y505 PolarHBondContact OD1-N 3.02Å; D502-Y505 VanDerWaalsContact OD1-N 3.07Å; Y505-Q507 VanDerWaalsContact C-N 3.35Å; Y505-Q507 PolarHBondContact O-N 2.81Å; Y505-K508 WeakPolarHBondContact O-CB 3.32Å; Y505-K508 PolarHBondContact O-N 2.95Å; Y505-Y509 PolarHBondContact O-N 3.09Å; Y505-A574 HydrophobicContact CD1-CB 4.05Å; Y505-A574 HydrophobicContact CG-CB 4.04Å; Y505-P575 HydrophobicContact CD2-CG 4.38Å; Y505-P575 HydrophobicContact CE2-CG 3.76Å
506	L	96.2	Very high	93.2	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-62.8	-40.1	173	179.6	61.4	0	0	0	112.4	V368 V501 D502 P503 K508 Y509 F510 V550 Y554 L567 L570	V368-L506 HydrophobicContact CB-CD2 4.27Å; V368-L506 HydrophobicContact CG1-CD2 3.83Å; V368-L506 WeakPolarHBondContact O-CD2 3.21Å; V501-L506 HydrophobicContact CG1-CB 4.43Å; D502-L506 PolarHBondContact O-N 2.78Å; D502-L506 VanDerWaalsContact O-N 3.13Å; P503-L506 PolarHBondContact O-N 3.01Å; L506-K508 VanDerWaalsContact C-N 3.29Å; L506-K508 PolarHBondContact O-N 2.93Å; L506-Y509 HydrophobicContact CD1-CD1 3.84Å; L506-Y509 VanDerWaalsContact O-CB 3.31Å; L506-Y509 WeakPolarHBondContact O-CB 3.37Å; L506-Y509 PolarHBondContact O-N 2.88Å; L506-Y509 VanDerWaalsContact O-N 3.12Å; L506-F510 HydrophobicContact CD1-CD2 4.46Å; L506-F510 HydrophobicContact CD1-CE2 3.91Å; L506-F510 HydrophobicContact CD1-CZ 3.93Å; L506-F510 HydrophobicContact CD2-CE2 3.91Å; L506-F510 HydrophobicContact CD2-CZ 4.24Å; L506-F510 HydrophobicContact CG-CD2 4.14Å; L506-F510 HydrophobicContact CG-CE2 3.56Å; L506-F510 HydrophobicContact CG-CZ 4.05Å; L506-F510 WeakPolarHBondContact O-CD2 3.21Å; L506-F510 PolarHBondContact O-N 3.33Å; L506-V550 HydrophobicContact CD2-CG1 3.88Å; L506-Y554 HydrophobicContact CD1-CE1 4.36Å; L506-Y554 WeakPolarHBondContact CD1-OH 3.38Å; L506-Y554 HydrophobicContact CD2-CE2 4.17Å; L506-L567 HydrophobicContact CD1-CD1 4.43Å; L506-L570 HydrophobicContact CB-CD2 4.46Å; L506-L570 HydrophobicContact CD1-CD2 3.86Å
507	Q	95	Very high	92.1	Very high	70 Å²	70	42.8 Å²	42.8	33%	0.327	23%	0.225	S	C	.	.	H	α-helix	trans	-63	-34.9	174.6	-68.3	-54.9	-47.6	0	0	112.8	P503 G504 Y505 Y509 F510 S511	P503-Q507 WeakPolarHBondContact O-CG 3.31Å; P503-Q507 PolarHBondContact O-N 3.42Å; G504-Q507 PolarHBondContact O-N 3.49Å; Y505-Q507 VanDerWaalsContact C-N 3.35Å; Y505-Q507 PolarHBondContact O-N 2.81Å; Q507-Y509 VanDerWaalsContact C-N 3.34Å; Q507-F510 PolarHBondContact O-N 2.83Å; Q507-S511 WeakPolarHBondContact O-CB 3.38Å; Q507-S511 PolarHBondContact O-N 3.37Å; Q507-S511 PolarHBondContact O-OG 3.49Å
508	K	94.1	Very high	90.6	Very high	128 Å²	128	51.4 Å²	51.4	56%	0.557	26%	0.258	S	S	*	.	H	α-helix	trans	-64.9	-39	172.6	-68.9	174.4	-176.9	176.1	0	111.6	G504 Y505 L506 S511 F512	G504-K508 WeakPolarHBondContact O-CG 3.41Å; G504-K508 PolarHBondContact O-N 3.29Å; Y505-K508 WeakPolarHBondContact O-CB 3.32Å; Y505-K508 PolarHBondContact O-N 2.95Å; L506-K508 VanDerWaalsContact C-N 3.29Å; L506-K508 PolarHBondContact O-N 2.93Å; K508-S511 PolarHBondContact O-N 2.63Å; K508-F512 VanDerWaalsContact O-CB 3.28Å; K508-F512 WeakPolarHBondContact O-CB 3.25Å; K508-F512 PolarHBondContact O-N 2.94Å
509	Y	95.2	Very high	88.9	Confident	9 Å²	9	55.1 Å²	55.1	4%	0.035	28%	0.284	C	S	.	.	H	α-helix	trans	-58.7	-50.7	173.5	160.6	-96.8	0	0	0	111.6	Y505 L506 Q507 S511 F512 I513 Y554 L557 A563 V566 L567 L570	Y505-Y509 PolarHBondContact O-N 3.09Å; L506-Y509 HydrophobicContact CD1-CD1 3.84Å; L506-Y509 VanDerWaalsContact O-CB 3.31Å; L506-Y509 WeakPolarHBondContact O-CB 3.37Å; L506-Y509 PolarHBondContact O-N 2.88Å; L506-Y509 VanDerWaalsContact O-N 3.12Å; Q507-Y509 VanDerWaalsContact C-N 3.34Å; Y509-S511 VanDerWaalsContact C-N 3.3Å; Y509-S511 PolarHBondContact O-N 3.31Å; Y509-F512 WeakPolarHBondContact O-CB 3.32Å; Y509-F512 PolarHBondContact O-N 2.95Å; Y509-F512 VanDerWaalsContact O-N 3.13Å; Y509-I513 HydrophobicContact CD2-CD1 4.49Å; Y509-I513 HydrophobicContact CD2-CG1 3.89Å; Y509-I513 HydrophobicContact CE1-CG1 4.46Å; Y509-I513 HydrophobicContact CE2-CD1 3.92Å; Y509-I513 HydrophobicContact CE2-CG1 3.44Å; Y509-I513 VanDerWaalsContact CE2-CG1 3.44Å; Y509-I513 WeakPolarHBondContact O-CG1 3.11Å; Y509-I513 PolarHBondContact O-N 2.92Å; Y509-Y554 HydrophobicContact CE1-CE1 4.35Å; Y509-L557 HydrophobicContact CE1-CD1 3.76Å; Y509-A563 PolarHBondContact OH-O 3.19Å; Y509-V566 HydrophobicContact CD2-CG1 3.78Å; Y509-V566 HydrophobicContact CE2-CB 4.17Å; Y509-V566 HydrophobicContact CE2-CG1 3.92Å; Y509-L567 HydrophobicContact CD1-CD1 4.24Å; Y509-L567 HydrophobicContact CE1-CD1 3.96Å; Y509-L567 HydrophobicContact CE2-CB 3.96Å; Y509-L567 HydrophobicContact CE2-CD1 4.36Å; Y509-L570 HydrophobicContact CG-CD2 4.18Å
510	F	93.8	Very high	87.1	Confident	3 Å²	3	58.1 Å²	58.1	1%	0.013	30%	0.3	C	S	.	.	H	α-helix	trans	-58.5	-43.6	177.4	-67.7	-51.1	0	0	0	112	L506 Q507 F512 N514 V550 Q553 Y554 L557	L506-F510 HydrophobicContact CD1-CD2 4.46Å; L506-F510 HydrophobicContact CD1-CE2 3.91Å; L506-F510 HydrophobicContact CD1-CZ 3.93Å; L506-F510 HydrophobicContact CD2-CE2 3.91Å; L506-F510 HydrophobicContact CD2-CZ 4.24Å; L506-F510 HydrophobicContact CG-CD2 4.14Å; L506-F510 HydrophobicContact CG-CE2 3.56Å; L506-F510 HydrophobicContact CG-CZ 4.05Å; L506-F510 WeakPolarHBondContact O-CD2 3.21Å; L506-F510 PolarHBondContact O-N 3.33Å; Q507-F510 PolarHBondContact O-N 2.83Å; F510-F512 VanDerWaalsContact C-N 3.34Å; F510-F512 PolarHBondContact O-N 2.93Å; F510-N514 VanDerWaalsContact O-CB 3.29Å; F510-N514 WeakPolarHBondContact O-CB 3.27Å; F510-N514 VanDerWaalsContact O-CG 3.23Å; F510-N514 PolarHBondContact O-N 2.99Å; F510-N514 VanDerWaalsContact O-N 3.08Å; F510-N514 PolarHBondContact O-ND2 2.9Å; F510-N514 VanDerWaalsContact O-ND2 3.12Å; F510-V550 HydrophobicContact CE2-CG1 4.36Å; F510-V550 HydrophobicContact CZ-CG1 4.38Å; F510-Q553 HydrophobicContact CD1-CB 4.22Å; F510-Q553 HydrophobicContact CD2-CB 4.13Å; F510-Q553 HydrophobicContact CE1-CB 4.01Å; F510-Q553 HydrophobicContact CE2-CB 3.9Å; F510-Q553 HydrophobicContact CG-CB 4.3Å; F510-Q553 HydrophobicContact CZ-CB 3.84Å; F510-Y554 AromaticContact CE1-CD1 3.55Å; F510-Y554 HydrophobicContact CE1-CD1 3.55Å; F510-Y554 HydrophobicContact CE1-CD2 4.48Å; F510-Y554 AromaticContact CE1-CE1 3.69Å; F510-Y554 HydrophobicContact CE1-CE1 3.69Å; F510-Y554 AromaticContact CE1-CG 3.99Å; F510-Y554 HydrophobicContact CE1-CG 3.99Å; F510-Y554 AromaticContact CZ-CD1 3.73Å; F510-Y554 HydrophobicContact CZ-CD1 3.73Å; F510-Y554 AromaticContact CZ-CD2 3.87Å; F510-Y554 HydrophobicContact CZ-CD2 3.87Å; F510-Y554 AromaticContact CZ-CE1 3.68Å; F510-Y554 HydrophobicContact CZ-CE1 3.68Å; F510-Y554 AromaticContact CZ-CE2 3.81Å; F510-Y554 HydrophobicContact CZ-CE2 3.81Å; F510-Y554 AromaticContact CZ-CG 3.84Å; F510-Y554 HydrophobicContact CZ-CG 3.84Å; F510-Y554 AromaticContact CZ-CZ 3.74Å; F510-L557 HydrophobicContact CD1-CD1 3.83Å; F510-L557 HydrophobicContact CD1-CD2 4.37Å; F510-L557 HydrophobicContact CD1-CG 4.24Å; F510-L557 HydrophobicContact CE1-CD1 3.7Å; F510-L557 HydrophobicContact CE1-CG 4.34Å
511	S	91.8	Very high	85.2	Confident	78 Å²	78	59.5 Å²	59.5	55%	0.545	32%	0.317	S	S	.	.	H	α-helix	trans	-61.7	-42	177	-59.1	0	0	0	0	112.1	Q507 K508 Y509 S515	Q507-S511 WeakPolarHBondContact O-CB 3.38Å; Q507-S511 PolarHBondContact O-N 3.37Å; Q507-S511 PolarHBondContact O-OG 3.49Å; K508-S511 PolarHBondContact O-N 2.63Å; Y509-S511 VanDerWaalsContact C-N 3.3Å; Y509-S511 PolarHBondContact O-N 3.31Å; S511-S515 VanDerWaalsContact O-CB 3.25Å; S511-S515 WeakPolarHBondContact O-CB 3.41Å; S511-S515 PolarHBondContact O-N 2.9Å
512	F	91.5	Very high	83.1	Confident	104 Å²	104	62 Å²	62	46%	0.456	34%	0.338	S	S	.	.	H	α-helix	trans	-65.2	-51.8	-180	175.4	-103	0	0	0	111.8	K508 Y509 F510 N514 S515 F516 F562 V566	K508-F512 VanDerWaalsContact O-CB 3.28Å; K508-F512 WeakPolarHBondContact O-CB 3.25Å; K508-F512 PolarHBondContact O-N 2.94Å; Y509-F512 WeakPolarHBondContact O-CB 3.32Å; Y509-F512 PolarHBondContact O-N 2.95Å; Y509-F512 VanDerWaalsContact O-N 3.13Å; F510-F512 VanDerWaalsContact C-N 3.34Å; F510-F512 PolarHBondContact O-N 2.93Å; F512-N514 VanDerWaalsContact C-N 3.32Å; F512-N514 PolarHBondContact O-N 3.45Å; F512-S515 PolarHBondContact O-N 3.17Å; F512-F516 WeakPolarHBondContact O-CB 3.35Å; F512-F516 PolarHBondContact O-N 3.46Å; F512-F562 HydrophobicContact CE1-CE1 4.15Å; F512-F562 AromaticContact CE1-CZ 3.93Å; F512-F562 HydrophobicContact CE1-CZ 3.93Å; F512-F562 HydrophobicContact CZ-CZ 4.27Å; F512-V566 HydrophobicContact CD1-CG1 4.19Å; F512-V566 HydrophobicContact CE1-CG1 4.2Å; F512-V566 HydrophobicContact CE1-CG2 4.42Å
513	I	90.9	Very high	80.7	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.005	36%	0.363	C	S	.	.	H	α-helix	trans	-61.5	-42.6	179.9	-64	-60.9	0	0	0	111	Y509 S515 F516 K517 L557 F562 A563 V566	Y509-I513 HydrophobicContact CD2-CD1 4.49Å; Y509-I513 HydrophobicContact CD2-CG1 3.89Å; Y509-I513 HydrophobicContact CE1-CG1 4.46Å; Y509-I513 HydrophobicContact CE2-CD1 3.92Å; Y509-I513 HydrophobicContact CE2-CG1 3.44Å; Y509-I513 VanDerWaalsContact CE2-CG1 3.44Å; Y509-I513 WeakPolarHBondContact O-CG1 3.11Å; Y509-I513 PolarHBondContact O-N 2.92Å; I513-S515 PolarHBondContact O-N 2.87Å; I513-F516 PolarHBondContact O-N 3.41Å; I513-K517 WeakPolarHBondContact O-CG 3.47Å; I513-K517 PolarHBondContact O-N 3Å; I513-L557 HydrophobicContact CB-CD2 4.29Å; I513-L557 HydrophobicContact CG2-CD2 3.79Å; I513-F562 HydrophobicContact CD1-CD1 4.21Å; I513-F562 HydrophobicContact CD1-CE1 3.93Å; I513-A563 HydrophobicContact CD1-CB 4.38Å; I513-V566 HydrophobicContact CD1-CB 4.23Å; I513-V566 HydrophobicContact CD1-CG1 4.24Å; I513-V566 HydrophobicContact CD1-CG2 4.45Å
514	N	85.4	Confident	78.5	Confident	82 Å²	82	71.1 Å²	71.1	44%	0.439	37%	0.373	S	S	.	.	H	α-helix	trans	-65.5	-38.6	177.6	-73.2	-26.8	0	0	0	112.5	F510 F512 R518	F510-N514 VanDerWaalsContact O-CB 3.29Å; F510-N514 WeakPolarHBondContact O-CB 3.27Å; F510-N514 VanDerWaalsContact O-CG 3.23Å; F510-N514 PolarHBondContact O-N 2.99Å; F510-N514 VanDerWaalsContact O-N 3.08Å; F510-N514 PolarHBondContact O-ND2 2.9Å; F510-N514 VanDerWaalsContact O-ND2 3.12Å; F512-N514 VanDerWaalsContact C-N 3.32Å; F512-N514 PolarHBondContact O-N 3.45Å; N514-R518 WeakPolarHBondContact O-CG 3.2Å; N514-R518 PolarHBondContact O-N 3.17Å
515	S	82	Confident	76.1	Confident	74 Å²	74	74.4 Å²	74.4	52%	0.517	38%	0.378	S	S	.	.	H	α-helix	trans	-70.2	-42.9	177.2	-175.5	0	0	0	0	112.4	S511 F512 I513 K517 R518 S519	S511-S515 VanDerWaalsContact O-CB 3.25Å; S511-S515 WeakPolarHBondContact O-CB 3.41Å; S511-S515 PolarHBondContact O-N 2.9Å; F512-S515 PolarHBondContact O-N 3.17Å; I513-S515 PolarHBondContact O-N 2.87Å; S515-K517 VanDerWaalsContact C-N 3.3Å; S515-K517 PolarHBondContact O-N 2.79Å; S515-R518 WeakPolarHBondContact O-CB 3.43Å; S515-R518 PolarHBondContact O-N 2.87Å; S515-R518 VanDerWaalsContact O-N 3.11Å; S515-S519 PolarHBondContact O-N 2.85Å
516	F	78.2	Confident	73.7	Confident	82 Å²	82	75.1 Å²	75.1	36%	0.36	40%	0.395	S	S	.	.	H	α-helix	trans	-58.3	-43.7	178.2	-174.8	-109.4	0	0	0	111.3	F512 I513 R518 S519 L520 F562	F512-F516 WeakPolarHBondContact O-CB 3.35Å; F512-F516 PolarHBondContact O-N 3.46Å; I513-F516 PolarHBondContact O-N 3.41Å; F516-R518 PolarHBondContact O-N 2.84Å; F516-S519 PolarHBondContact O-N 3.18Å; F516-L520 HydrophobicContact CD1-CD1 3.48Å; F516-L520 VanDerWaalsContact CD1-CD1 3.48Å; F516-L520 HydrophobicContact CD2-CD1 4.34Å; F516-L520 HydrophobicContact CE1-CD1 3.12Å; F516-L520 HydrophobicContact CE2-CD1 4.04Å; F516-L520 HydrophobicContact CG-CD1 4.09Å; F516-L520 HydrophobicContact CZ-CD1 3.43Å; F516-L520 VanDerWaalsContact CZ-CD1 3.43Å; F516-L520 PolarHBondContact O-N 3.07Å; F516-F562 HydrophobicContact CD1-CD1 4.01Å; F516-F562 AromaticContact CD1-CE1 3.49Å; F516-F562 HydrophobicContact CD1-CE1 3.49Å; F516-F562 VanDerWaalsContact CD1-CE1 3.49Å; F516-F562 HydrophobicContact CD1-CZ 4.17Å; F516-F562 AromaticContact CE1-CD1 3.84Å; F516-F562 HydrophobicContact CE1-CD1 3.84Å; F516-F562 AromaticContact CE1-CE1 3.52Å; F516-F562 HydrophobicContact CE1-CE1 3.52Å; F516-F562 HydrophobicContact CE1-CG 4.49Å; F516-F562 AromaticContact CE1-CZ 3.93Å; F516-F562 HydrophobicContact CE1-CZ 3.93Å; F516-F562 HydrophobicContact CE2-CZ 4.49Å; F516-F562 HydrophobicContact CG-CE1 4.1Å; F516-F562 HydrophobicContact CZ-CE1 4.17Å; F516-F562 HydrophobicContact CZ-CZ 4.11Å
517	K	68.3	Low	71.1	Confident	60 Å²	60	80.3 Å²	80.3	26%	0.261	42%	0.422	S	S	.	.	H	α-helix	trans	-65.2	-37.8	175.4	-70.9	-172.4	179.2	-164.4	0	113.1	I513 S515 S519 L520 G521 H558 D560	I513-K517 WeakPolarHBondContact O-CG 3.47Å; I513-K517 PolarHBondContact O-N 3Å; S515-K517 VanDerWaalsContact C-N 3.3Å; S515-K517 PolarHBondContact O-N 2.79Å; K517-S519 VanDerWaalsContact C-N 3.33Å; K517-L520 PolarHBondContact O-N 2.75Å; K517-G521 PolarHBondContact O-N 2.82Å; K517-H558 PolarHBondContact NZ-CD2 3.08Å; K517-H558 PolarHBondContact NZ-O 3.19Å; K517-D560 WeakPolarHBondContact CE-OD2 3.23Å; K517-D560 IonicContact NZ-OD2 3.87Å; K517-D560 PolarHBondContact NZ-OD2 3.19Å
518	R	65	Low	68.5	Low	181 Å²	181	83.6 Å²	83.6	68%	0.683	44%	0.442	S	S	*	.	H	α-helix	trans	-62.3	-41.7	172.9	-72.8	176.4	-179.9	-151.5	-0.3	111.6	N514 S515 F516 G521 A522	N514-R518 WeakPolarHBondContact O-CG 3.2Å; N514-R518 PolarHBondContact O-N 3.17Å; S515-R518 WeakPolarHBondContact O-CB 3.43Å; S515-R518 PolarHBondContact O-N 2.87Å; S515-R518 VanDerWaalsContact O-N 3.11Å; F516-R518 PolarHBondContact O-N 2.84Å; R518-G521 PolarHBondContact O-N 3.42Å; R518-A522 VanDerWaalsContact O-CB 3.31Å; R518-A522 WeakPolarHBondContact O-CB 3.36Å; R518-A522 PolarHBondContact O-N 2.77Å
519	S	63.3	Low	66	Low	79 Å²	79	83.7 Å²	83.7	55%	0.552	44%	0.443	S	S	*	.	H	α-helix	trans	-66.8	-43.7	178.5	-173.6	0	0	0	0	112	S515 F516 K517 A522 F523	S515-S519 PolarHBondContact O-N 2.85Å; F516-S519 PolarHBondContact O-N 3.18Å; K517-S519 VanDerWaalsContact C-N 3.33Å; S519-A522 PolarHBondContact O-N 3.45Å; S519-F523 VanDerWaalsContact O-CB 3.3Å; S519-F523 WeakPolarHBondContact O-CB 3.49Å; S519-F523 PolarHBondContact O-N 3.26Å
520	L	60.5	Low	63.5	Low	64 Å²	64	88.4 Å²	88.4	34%	0.335	48%	0.477	S	S	.	.	H	α-helix	trans	-63.6	-44.6	173.1	-91.1	142	0	0	0	112.5	F516 K517 A522 F523 F524	F516-L520 HydrophobicContact CD1-CD1 3.48Å; F516-L520 VanDerWaalsContact CD1-CD1 3.48Å; F516-L520 HydrophobicContact CD2-CD1 4.34Å; F516-L520 HydrophobicContact CE1-CD1 3.12Å; F516-L520 HydrophobicContact CE2-CD1 4.04Å; F516-L520 HydrophobicContact CG-CD1 4.09Å; F516-L520 HydrophobicContact CZ-CD1 3.43Å; F516-L520 VanDerWaalsContact CZ-CD1 3.43Å; F516-L520 PolarHBondContact O-N 3.07Å; K517-L520 PolarHBondContact O-N 2.75Å; L520-A522 VanDerWaalsContact C-N 3.34Å; L520-A522 PolarHBondContact O-N 3.42Å; L520-F523 PolarHBondContact O-N 3.03Å; L520-F523 VanDerWaalsContact O-N 3.17Å; L520-F524 HydrophobicContact CD2-CD2 4.23Å; L520-F524 HydrophobicContact CD2-CE2 3.63Å; L520-F524 WeakPolarHBondContact O-CD2 3.2Å; L520-F524 PolarHBondContact O-N 2.87Å
521	G	58.4	Low	60.8	Low	42 Å²	42	93 Å²	93	43%	0.433	51%	0.509	S	S	.	.	H	α-helix	trans	-60.4	-42.7	175.9	0	0	0	0	0	112.3	K517 R518 H525	K517-G521 PolarHBondContact O-N 2.82Å; R518-G521 PolarHBondContact O-N 3.42Å; G521-H525 WeakPolarHBondContact O-CB 3.06Å; G521-H525 PolarHBondContact O-N 2.94Å
522	A	53.2	Low	58.3	Low	57 Å²	57	96.6 Å²	96.6	47%	0.471	52%	0.522	S	S	.	.	H	α-helix	trans	-65.6	-38.7	173.7	0	0	0	0	0	112.2	R518 S519 L520 H525 C526	R518-A522 VanDerWaalsContact O-CB 3.31Å; R518-A522 WeakPolarHBondContact O-CB 3.36Å; R518-A522 PolarHBondContact O-N 2.77Å; S519-A522 PolarHBondContact O-N 3.45Å; L520-A522 VanDerWaalsContact C-N 3.34Å; L520-A522 PolarHBondContact O-N 3.42Å; A522-H525 PolarHBondContact O-N 2.79Å; A522-C526 WeakPolarHBondContact O-CB 3.45Å; A522-C526 PolarHBondContact O-N 2.88Å
523	F	45.9	Very low	55.4	Low	129 Å²	129	99.9 Å²	99.9	57%	0.566	54%	0.536	S	S	*	.	H	α-helix	trans	-66.8	-44.8	178	-166.7	-101.4	0	0	0	112.2	S519 L520 C526 L527	S519-F523 VanDerWaalsContact O-CB 3.3Å; S519-F523 WeakPolarHBondContact O-CB 3.49Å; S519-F523 PolarHBondContact O-N 3.26Å; L520-F523 PolarHBondContact O-N 3.03Å; L520-F523 VanDerWaalsContact O-N 3.17Å; F523-C526 PolarHBondContact O-N 3.11Å; F523-L527 HydrophobicContact CD1-CD1 3.67Å; F523-L527 HydrophobicContact CD1-CG 4.47Å; F523-L527 HydrophobicContact CE1-CD1 3.47Å; F523-L527 VanDerWaalsContact CE1-CD1 3.47Å; F523-L527 HydrophobicContact CE1-CG 4.35Å; F523-L527 HydrophobicContact CZ-CD1 4.26Å; F523-L527 WeakPolarHBondContact O-CG 3.38Å; F523-L527 PolarHBondContact O-N 2.86Å
524	F	49.8	Very low	52.8	Low	125 Å²	125	106 Å²	106	55%	0.548	58%	0.576	S	S	.	*	H	α-helix	trans	-67.8	-33.9	174.1	-80.1	-70.1	0	0	0	112.7	L520 C526 L527 N528	L520-F524 HydrophobicContact CD2-CD2 4.23Å; L520-F524 HydrophobicContact CD2-CE2 3.63Å; L520-F524 WeakPolarHBondContact O-CD2 3.2Å; L520-F524 PolarHBondContact O-N 2.87Å; F524-C526 VanDerWaalsContact C-N 3.35Å; F524-L527 PolarHBondContact O-N 2.76Å; F524-N528 PolarHBondContact O-N 2.83Å; F524-N528 VanDerWaalsContact O-N 3.11Å
525	H	42.9	Very low	50.2	Low	105 Å²	105	107 Å²	107	49%	0.486	59%	0.589	S	S	.	*	H	α-helix	trans	-70.4	-31.1	173.3	-160.9	-57.9	0	0	0	112.2	G521 A522 F529	G521-H525 WeakPolarHBondContact O-CB 3.06Å; G521-H525 PolarHBondContact O-N 2.94Å; A522-H525 PolarHBondContact O-N 2.79Å; H525-F529 AromaticContact CE1-CD2 3.44Å; H525-F529 VanDerWaalsContact CE1-CD2 3.44Å; H525-F529 WeakPolarHBondContact CE1-CD2 3.42Å; H525-F529 AromaticContact CE1-CE2 3.14Å; H525-F529 WeakPolarHBondContact CE1-CE2 3.37Å; H525-F529 AromaticContact ND1-CD2 3.48Å; H525-F529 WeakPolarHBondContact ND1-CD2 3.28Å; H525-F529 AromaticContact ND1-CE2 3.7Å; H525-F529 AromaticContact NE2-CE2 4Å
526	C	45.5	Very low	47.9	Very low	103 Å²	103	115.1 Å²	115.1	70%	0.696	61%	0.608	S	S	*	*	H	α-helix	trans	-72.3	-32.9	171.1	-87.4	0	0	0	0	112.9	A522 F523 F524	A522-C526 WeakPolarHBondContact O-CB 3.45Å; A522-C526 PolarHBondContact O-N 2.88Å; F523-C526 PolarHBondContact O-N 3.11Å; F524-C526 VanDerWaalsContact C-N 3.35Å
527	L	43.2	Very low	45.7	Very low	111 Å²	111	120.3 Å²	120.3	58%	0.581	63%	0.631	S	S	*	*	H	α-helix	trans	-77.2	-23.7	177.8	-72.7	170.3	0	0	0	113.7	F523 F524	F523-L527 HydrophobicContact CD1-CD1 3.67Å; F523-L527 HydrophobicContact CD1-CG 4.47Å; F523-L527 HydrophobicContact CE1-CD1 3.47Å; F523-L527 VanDerWaalsContact CE1-CD1 3.47Å; F523-L527 HydrophobicContact CE1-CG 4.35Å; F523-L527 HydrophobicContact CZ-CD1 4.26Å; F523-L527 WeakPolarHBondContact O-CG 3.38Å; F523-L527 PolarHBondContact O-N 2.86Å; F524-L527 PolarHBondContact O-N 2.76Å
528	N	40.3	Very low	43.9	Very low	139 Å²	139	126.4 Å²	126.4	74%	0.743	66%	0.66	S	S	*	*	S	Bend	trans	-96.1	2.4	178.3	-91.2	-27.4	0	0	0	114.9	F524 S530	F524-N528 PolarHBondContact O-N 2.83Å; F524-N528 VanDerWaalsContact O-N 3.11Å; N528-S530 PolarHBondContact O-N 3.48Å
529	F	40.8	Very low	42.4	Very low	129 Å²	129	120.7 Å²	120.7	57%	0.566	66%	0.657	S	S	*	*			trans	-98.4	76.3	176.9	-105.6	-96.6	0	0	0	112.2	H525	H525-F529 AromaticContact CE1-CD2 3.44Å; H525-F529 VanDerWaalsContact CE1-CD2 3.44Å; H525-F529 WeakPolarHBondContact CE1-CD2 3.42Å; H525-F529 AromaticContact CE1-CE2 3.14Å; H525-F529 WeakPolarHBondContact CE1-CE2 3.37Å; H525-F529 AromaticContact ND1-CD2 3.48Å; H525-F529 WeakPolarHBondContact ND1-CD2 3.28Å; H525-F529 AromaticContact ND1-CE2 3.7Å; H525-F529 AromaticContact NE2-CE2 4Å
530	S	41.8	Very low	40.8	Very low	109 Å²	109	124 Å²	124	76%	0.762	67%	0.669	S	S	*	*			trans	-128.6	60.5	154.5	60.9	0	0	0	0	110.7	N528	N528-S530 PolarHBondContact O-N 3.48Å
531	S	38.1	Very low	39.7	Very low	99 Å²	99	128.4 Å²	128.4	69%	0.692	69%	0.693	S	S	*	*	S	Bend	trans	169.7	118.5	141.1	54.5	0	0	0	0	112.4
532	L	38.5	Very low	38.3	Very low	153 Å²	153	133.2 Å²	133.2	80%	0.801	70%	0.704	S	S	*	*			trans	33.5	111.7	146.9	-78	125.1	0	0	0	119.3
533	F	31	Very low	37.5	Very low	174 Å²	174	135.7 Å²	135.7	76%	0.763	72%	0.717	S	S	*	*				177.5	130.9	123.5	-94.4	-70.3	0	0	0	109.2	S535	F533-S535 PolarHBondContact O-N 2.91Å
534	P	36.3	Very low	36.8	Very low	130 Å²	130	134 Å²	134	84%	0.844	72%	0.716	S	S	*	*			trans	-86.6	108.3	176.2	32.1	-26.4	0	0	0	109.3
535	S	32.1	Very low	36.2	Very low	101 Å²	101	134.2 Å²	134.2	71%	0.706	73%	0.732	S	S	*	*			trans	-109.8	128.7	166.2	-10.9	0	0	0	0	110	F533 F537	F533-S535 PolarHBondContact O-N 2.91Å; S535-F537 PolarHBondContact O-N 3.49Å
536	R	32	Very low	36	Very low	245 Å²	245	131.4 Å²	131.4	93%	0.925	73%	0.732	S	S	*	*			trans	-42	119	178.2	-76	168.5	173.5	173.9	-2.4	112.7	H538	R536-H538 PolarHBondContact O-N 2.95Å
537	F	33.4	Very low	36.6	Very low	192 Å²	192	135.1 Å²	135.1	84%	0.842	75%	0.745	S	S	*	*			trans	-71.8	112.4	156	-89.6	-92.1	0	0	0	108.6	S535 G539	S535-F537 PolarHBondContact O-N 3.49Å; F537-G539 PolarHBondContact O-N 2.89Å
538	H	29.8	Very low	37.9	Very low	188 Å²	188	131.7 Å²	131.7	87%	0.87	73%	0.728	S	S	*	*			trans	-76.9	108.9	151.7	-98.8	-21.3	0	0	0	106.9	R536 N540	R536-H538 PolarHBondContact O-N 2.95Å; H538-N540 PolarHBondContact O-N 3.01Å
539	G	34.3	Very low	40.1	Very low	60 Å²	60	126.9 Å²	126.9	62%	0.619	71%	0.711	S	S	*	*			trans	-60.1	115	168.4	0	0	0	0	0	109.3	F537	F537-G539 PolarHBondContact O-N 2.89Å
540	N	29.4	Very low	42.5	Very low	149 Å²	149	122.1 Å²	122.1	80%	0.797	69%	0.693	S	S	*	*			trans	-112.3	66	148.9	-148.9	20.2	0	0	0	106.5	H538 Q542	H538-N540 PolarHBondContact O-N 3.01Å; N540-Q542 VanDerWaalsContact C-N 3.3Å; N540-Q542 PolarHBondContact O-N 2.86Å
541	D	37	Very low	44.8	Very low	157 Å²	157	119.9 Å²	119.9	84%	0.84	67%	0.674	S	S	*	*			trans	-67.9	91.7	168.2	-77.2	-36.2	0	0	0	108
542	Q	28.4	Very low	47.4	Very low	142 Å²	142	119.5 Å²	119.5	66%	0.664	67%	0.665	S	S	*	*			trans	-109.8	99	154.2	-87	-177.5	-18.1	0	0	108	N540 V544	N540-Q542 VanDerWaalsContact C-N 3.3Å; N540-Q542 PolarHBondContact O-N 2.86Å; Q542-V544 HydrophobicContact CB-CG2 3.82Å; Q542-V544 PolarHBondContact O-N 2.91Å
543	C	36.3	Very low	50	Low	110 Å²	110	113.9 Å²	113.9	74%	0.743	63%	0.634	S	S	*	*			trans	-60.7	92.4	144	-74.7	0	0	0	0	106.1	C545	C543-C545 PolarHBondContact O-N 2.75Å
544	V	31.8	Very low	53.1	Low	92 Å²	92	105.6 Å²	105.6	56%	0.558	60%	0.598	S	S	*	*			trans	-71.9	84.9	175.2	-176.3	0	0	0	0	107.4	Q542 V548	Q542-V544 HydrophobicContact CB-CG2 3.82Å; Q542-V544 PolarHBondContact O-N 2.91Å; V544-V548 HydrophobicContact CG1-CG2 3.86Å
545	C	36.4	Very low	55.7	Low	130 Å²	130	102.4 Å²	102.4	88%	0.878	58%	0.583	S	S	*	*			trans	-92.2	47	158.2	-62.8	0	0	0	0	108.8	C543	C543-C545 PolarHBondContact O-N 2.75Å
546	G	40.6	Very low	58.5	Low	46 Å²	46	104.2 Å²	104.2	47%	0.474	58%	0.58	S	S	.	*	S	Bend	trans	-95.8	143.9	160.8	0	0	0	0	0	107.6	V548	G546-V548 PolarHBondContact O-N 3.19Å
547	D	57.3	Low	61.3	Low	182 Å²	182	93.1 Å²	93.1	97%	0.973	54%	0.539	S	S	*	.			trans	-65.6	75.7	173.2	-73.6	-37.8	0	0	0	109.8	G549	D547-G549 PolarHBondContact O-N 2.92Å
548	V	70.4	Confident	64	Low	39 Å²	39	90.3 Å²	90.3	24%	0.236	53%	0.528	C	S	.	.			trans	-65.5	123.6	170.5	178.9	0	0	0	0	106.6	V544 G546 D552 Q553	V544-V548 HydrophobicContact CG1-CG2 3.86Å; G546-V548 PolarHBondContact O-N 3.19Å; V548-D552 HydrophobicContact CG1-CB 3.39Å; V548-Q553 HydrophobicContact CB-CG 3.99Å; V548-Q553 HydrophobicContact CG1-CG 3.75Å; V548-Q553 PolarHBondContact O-NE2 3.34Å
549	G	86.4	Confident	67	Low	37 Å²	37	83.5 Å²	83.5	38%	0.381	50%	0.495	S	S	.	.			trans	-56.6	148.9	-179.9	0	0	0	0	0	111.3	D547 T551 D552 Q553	D547-G549 PolarHBondContact O-N 2.92Å; G549-T551 PolarHBondContact O-N 3.4Å; G549-T551 VanDerWaalsContact O-N 3.17Å; G549-D552 WeakPolarHBondContact O-CA 3.48Å; G549-D552 WeakPolarHBondContact O-CB 3.44Å; G549-D552 PolarHBondContact O-N 2.82Å; G549-Q553 PolarHBondContact O-N 3.24Å
550	V	91.3	Very high	69.7	Low	30 Å²	30	83.5 Å²	83.5	18%	0.182	48%	0.48	C	S	.	.	H	α-helix	trans	-54	-40.4	-176.8	175.4	0	0	0	0	112.1	P367 L506 F510 D552 Q553 Y554	P367-V550 HydrophobicContact CB-CG1 4.43Å; P367-V550 HydrophobicContact CG-CB 4.35Å; P367-V550 WeakPolarHBondContact O-CG1 3.49Å; L506-V550 HydrophobicContact CD2-CG1 3.88Å; F510-V550 HydrophobicContact CE2-CG1 4.36Å; F510-V550 HydrophobicContact CZ-CG1 4.38Å; V550-D552 VanDerWaalsContact C-N 3.33Å; V550-D552 PolarHBondContact O-N 2.95Å; V550-Q553 PolarHBondContact O-N 3.48Å; V550-Y554 HydrophobicContact CG1-CD2 3.75Å; V550-Y554 HydrophobicContact CG1-CE2 3.57Å; V550-Y554 WeakPolarHBondContact O-CD2 3.46Å; V550-Y554 PolarHBondContact O-N 3.46Å
551	T	90.9	Very high	72.6	Confident	61 Å²	61	82.5 Å²	82.5	37%	0.374	48%	0.475	S	S	.	.	H	α-helix	trans	-58.5	-43.6	175.2	-49.7	0	0	0	0	112.3	P367 V472 G549 Y554 A555	P367-T551 VanDerWaalsContact CB-OG1 3.27Å; P367-T551 WeakPolarHBondContact CB-OG1 3.19Å; V472-T551 HydrophobicContact CG1-CG2 4.47Å; V472-T551 HydrophobicContact CG2-CG2 4.23Å; G549-T551 PolarHBondContact O-N 3.4Å; G549-T551 VanDerWaalsContact O-N 3.17Å; T551-Y554 PolarHBondContact O-N 2.84Å; T551-A555 WeakPolarHBondContact O-CB 3.32Å; T551-A555 PolarHBondContact O-N 2.82Å
552	D	91.2	Very high	75.2	Confident	91 Å²	91	78.5 Å²	78.5	49%	0.487	45%	0.45	S	S	.	.	H	α-helix	trans	-69.7	-36.1	179.2	-66.7	-33.7	0	0	0	111.2	V548 G549 V550 A555 Q556	V548-D552 HydrophobicContact CG1-CB 3.39Å; G549-D552 WeakPolarHBondContact O-CA 3.48Å; G549-D552 WeakPolarHBondContact O-CB 3.44Å; G549-D552 PolarHBondContact O-N 2.82Å; V550-D552 VanDerWaalsContact C-N 3.33Å; V550-D552 PolarHBondContact O-N 2.95Å; D552-A555 PolarHBondContact O-N 2.78Å; D552-Q556 WeakPolarHBondContact O-CB 3.4Å; D552-Q556 WeakPolarHBondContact O-CG 3.3Å; D552-Q556 PolarHBondContact O-N 2.68Å
553	Q	93.7	Very high	78.4	Confident	35 Å²	35	71.7 Å²	71.7	16%	0.164	42%	0.419	C	S	.	.	H	α-helix	trans	-62.5	-47.2	174.7	-64.4	-169.9	54.3	0	0	111.2	F510 V548 G549 V550 A555 Q556 L557	F510-Q553 HydrophobicContact CD1-CB 4.22Å; F510-Q553 HydrophobicContact CD2-CB 4.13Å; F510-Q553 HydrophobicContact CE1-CB 4.01Å; F510-Q553 HydrophobicContact CE2-CB 3.9Å; F510-Q553 HydrophobicContact CG-CB 4.3Å; F510-Q553 HydrophobicContact CZ-CB 3.84Å; V548-Q553 HydrophobicContact CB-CG 3.99Å; V548-Q553 HydrophobicContact CG1-CG 3.75Å; V548-Q553 PolarHBondContact O-NE2 3.34Å; G549-Q553 PolarHBondContact O-N 3.24Å; V550-Q553 PolarHBondContact O-N 3.48Å; Q553-A555 VanDerWaalsContact C-N 3.33Å; Q553-A555 PolarHBondContact O-N 3.35Å; Q553-Q556 PolarHBondContact O-N 2.94Å; Q553-L557 PolarHBondContact O-N 2.71Å
554	Y	95.2	Very high	81.1	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-60.7	-40.9	173.4	-80.2	-58	0	0	0	112.4	P367 V368 A370 V472 L506 Y509 F510 V550 T551 Q556 L557 W559 L567 Y571	P367-Y554 WeakPolarHBondContact O-CE2 3.25Å; V368-Y554 PolarHBondContact O-OH 3.21Å; A370-Y554 HydrophobicContact CB-CD1 4.18Å; A370-Y554 HydrophobicContact CB-CD2 3.91Å; A370-Y554 HydrophobicContact CB-CE1 3.88Å; A370-Y554 HydrophobicContact CB-CE2 3.6Å; A370-Y554 HydrophobicContact CB-CG 4.19Å; V472-Y554 HydrophobicContact CG1-CD2 4.05Å; L506-Y554 HydrophobicContact CD1-CE1 4.36Å; L506-Y554 WeakPolarHBondContact CD1-OH 3.38Å; L506-Y554 HydrophobicContact CD2-CE2 4.17Å; Y509-Y554 HydrophobicContact CE1-CE1 4.35Å; F510-Y554 AromaticContact CE1-CD1 3.55Å; F510-Y554 HydrophobicContact CE1-CD1 3.55Å; F510-Y554 HydrophobicContact CE1-CD2 4.48Å; F510-Y554 AromaticContact CE1-CE1 3.69Å; F510-Y554 HydrophobicContact CE1-CE1 3.69Å; F510-Y554 AromaticContact CE1-CG 3.99Å; F510-Y554 HydrophobicContact CE1-CG 3.99Å; F510-Y554 AromaticContact CZ-CD1 3.73Å; F510-Y554 HydrophobicContact CZ-CD1 3.73Å; F510-Y554 AromaticContact CZ-CD2 3.87Å; F510-Y554 HydrophobicContact CZ-CD2 3.87Å; F510-Y554 AromaticContact CZ-CE1 3.68Å; F510-Y554 HydrophobicContact CZ-CE1 3.68Å; F510-Y554 AromaticContact CZ-CE2 3.81Å; F510-Y554 HydrophobicContact CZ-CE2 3.81Å; F510-Y554 AromaticContact CZ-CG 3.84Å; F510-Y554 HydrophobicContact CZ-CG 3.84Å; F510-Y554 AromaticContact CZ-CZ 3.74Å; V550-Y554 HydrophobicContact CG1-CD2 3.75Å; V550-Y554 HydrophobicContact CG1-CE2 3.57Å; V550-Y554 WeakPolarHBondContact O-CD2 3.46Å; V550-Y554 PolarHBondContact O-N 3.46Å; T551-Y554 PolarHBondContact O-N 2.84Å; Y554-Q556 VanDerWaalsContact C-N 3.27Å; Y554-Q556 PolarHBondContact O-N 2.77Å; Y554-L557 HydrophobicContact CD1-CD1 4.12Å; Y554-L557 WeakPolarHBondContact O-CB 3.32Å; Y554-L557 PolarHBondContact O-N 3.32Å; Y554-W559 AromaticContact CD1-CH2 3.69Å; Y554-W559 HydrophobicContact CD1-CH2 3.69Å; Y554-W559 AromaticContact CD1-CZ2 3.61Å; Y554-W559 HydrophobicContact CD1-CZ2 3.61Å; Y554-W559 HydrophobicContact CE1-CH2 4Å; Y554-W559 HydrophobicContact CE1-CZ2 4.38Å; Y554-W559 HydrophobicContact CG-CZ2 4.42Å; Y554-W559 PolarHBondContact O-NE1 3.02Å; Y554-L567 HydrophobicContact CE1-CD1 4.31Å; Y554-L567 HydrophobicContact CE1-CD2 4.16Å; Y554-Y571 PolarHBondContact OH-OH 2.76Å; Y554-Y571 VanDerWaalsContact OH-OH 3.06Å
555	A	92.4	Very high	84.2	Confident	63 Å²	63	68.8 Å²	68.8	52%	0.521	39%	0.39	S	S	.	.	H	α-helix	trans	-67	-27	179	0	0	0	0	0	113.4	T551 D552 Q553	T551-A555 WeakPolarHBondContact O-CB 3.32Å; T551-A555 PolarHBondContact O-N 2.82Å; D552-A555 PolarHBondContact O-N 2.78Å; Q553-A555 VanDerWaalsContact C-N 3.33Å; Q553-A555 PolarHBondContact O-N 3.35Å
556	Q	91	Very high	87	Confident	140 Å²	140	64.2 Å²	64.2	65%	0.654	36%	0.358	S	S	*	.	H	α-helix	trans	-83.6	-15.9	177	-71.3	169	34.2	0	0	113.2	D552 Q553 Y554 H558	D552-Q556 WeakPolarHBondContact O-CB 3.4Å; D552-Q556 WeakPolarHBondContact O-CG 3.3Å; D552-Q556 PolarHBondContact O-N 2.68Å; Q553-Q556 PolarHBondContact O-N 2.94Å; Y554-Q556 VanDerWaalsContact C-N 3.27Å; Y554-Q556 PolarHBondContact O-N 2.77Å; Q556-H558 PolarHBondContact O-N 2.91Å
557	L	90.3	Very high	89.7	Confident	12 Å²	12	62 Å²	62	6%	0.063	34%	0.335	C	S	.	.	S	Bend	trans	-66.9	134	175.6	-73.4	179.8	0	0	0	110.9	Y509 F510 I513 Q553 Y554 W559	Y509-L557 HydrophobicContact CE1-CD1 3.76Å; F510-L557 HydrophobicContact CD1-CD1 3.83Å; F510-L557 HydrophobicContact CD1-CD2 4.37Å; F510-L557 HydrophobicContact CD1-CG 4.24Å; F510-L557 HydrophobicContact CE1-CD1 3.7Å; F510-L557 HydrophobicContact CE1-CG 4.34Å; I513-L557 HydrophobicContact CB-CD2 4.29Å; I513-L557 HydrophobicContact CG2-CD2 3.79Å; Q553-L557 PolarHBondContact O-N 2.71Å; Y554-L557 HydrophobicContact CD1-CD1 4.12Å; Y554-L557 WeakPolarHBondContact O-CB 3.32Å; Y554-L557 PolarHBondContact O-N 3.32Å; L557-W559 HydrophobicContact CB-CZ2 4.34Å; L557-W559 HydrophobicContact CD1-CH2 4.02Å; L557-W559 HydrophobicContact CD1-CZ2 3.95Å; L557-W559 VanDerWaalsContact O-CD1 3.32Å; L557-W559 PolarHBondContact O-N 3.16Å
558	H	89.7	Confident	91.6	Very high	133 Å²	133	56 Å²	56	62%	0.616	30%	0.303	S	S	*	.			trans	-80.1	116	161.3	-177.9	77.8	0	0	0	108.5	K517 Q556 D560	K517-H558 PolarHBondContact NZ-CD2 3.08Å; K517-H558 PolarHBondContact NZ-O 3.19Å; Q556-H558 PolarHBondContact O-N 2.91Å; H558-D560 IonicContact CD2-OD2 2.76Å
559	W	92.7	Very high	92.9	Very high	45 Å²	45	57.1 Å²	57.1	17%	0.17	31%	0.312	C	S	.	.			trans	-86.7	112.9	-178.3	-65.7	96.7	0	0	0	110.6	P372 P373 P470 Y554 L557 A563 L567	P372-W559 HydrophobicContact CB-CD2 4.23Å; P372-W559 HydrophobicContact CB-CE3 3.66Å; P372-W559 HydrophobicContact CB-CZ3 3.85Å; P372-W559 HydrophobicContact CG-CE3 4Å; P372-W559 HydrophobicContact CG-CH2 4.38Å; P372-W559 HydrophobicContact CG-CZ3 3.69Å; P373-W559 VanDerWaalsContact CD-CG 3.47Å; P373-W559 HydrophobicContact CG-CB 3.92Å; P373-W559 HydrophobicContact CG-CG 3.8Å; P470-W559 HydrophobicContact CB-CZ2 3.64Å; P470-W559 HydrophobicContact CG-CZ2 4.06Å; Y554-W559 AromaticContact CD1-CH2 3.69Å; Y554-W559 HydrophobicContact CD1-CH2 3.69Å; Y554-W559 AromaticContact CD1-CZ2 3.61Å; Y554-W559 HydrophobicContact CD1-CZ2 3.61Å; Y554-W559 HydrophobicContact CE1-CH2 4Å; Y554-W559 HydrophobicContact CE1-CZ2 4.38Å; Y554-W559 HydrophobicContact CG-CZ2 4.42Å; Y554-W559 PolarHBondContact O-NE1 3.02Å; L557-W559 HydrophobicContact CB-CZ2 4.34Å; L557-W559 HydrophobicContact CD1-CH2 4.02Å; L557-W559 HydrophobicContact CD1-CZ2 3.95Å; L557-W559 VanDerWaalsContact O-CD1 3.32Å; L557-W559 PolarHBondContact O-N 3.16Å; W559-A563 HydrophobicContact CE3-CB 4.28Å; W559-L567 HydrophobicContact CH2-CD2 3.68Å; W559-L567 HydrophobicContact CZ3-CD2 3.8Å
560	D	90.8	Very high	93.4	Very high	59 Å²	59	56.1 Å²	56.1	32%	0.316	30%	0.298	S	S	.	.			trans	-122.7	170.1	167.9	46.7	42	0	0	0	108.4	K517 H558 F562 A563 G564	K517-D560 WeakPolarHBondContact CE-OD2 3.23Å; K517-D560 IonicContact NZ-OD2 3.87Å; K517-D560 PolarHBondContact NZ-OD2 3.19Å; H558-D560 IonicContact CD2-OD2 2.76Å; D560-F562 PolarHBondContact O-N 3.05Å; D560-A563 PolarHBondContact O-N 3.35Å; D560-A563 VanDerWaalsContact O-N 3.13Å; D560-A563 WeakPolarHBondContact OD1-CB 3.4Å; D560-A563 PolarHBondContact OD1-N 2.97Å; D560-G564 PolarHBondContact O-N 2.98Å; D560-G564 VanDerWaalsContact O-N 3.09Å
561	D	90.2	Very high	93.7	Very high	128 Å²	128	55.7 Å²	55.7	68%	0.684	29%	0.294	S	S	*	.	H	α-helix	trans	-55.6	-39	-178.4	-61.2	-25.6	0	0	0	111.3	G564 E565	D561-G564 PolarHBondContact O-N 2.98Å; D561-E565 WeakPolarHBondContact O-CB 3.09Å; D561-E565 WeakPolarHBondContact O-CG 3.38Å; D561-E565 PolarHBondContact O-N 2.76Å
562	F	92.6	Very high	94	Very high	73 Å²	73	56.7 Å²	56.7	32%	0.32	30%	0.297	S	S	.	.	H	α-helix	trans	-60.8	-47.8	177	178.8	-103.3	0	0	0	112.8	F512 I513 F516 D560 G564 E565 V566	F512-F562 HydrophobicContact CE1-CE1 4.15Å; F512-F562 AromaticContact CE1-CZ 3.93Å; F512-F562 HydrophobicContact CE1-CZ 3.93Å; F512-F562 HydrophobicContact CZ-CZ 4.27Å; I513-F562 HydrophobicContact CD1-CD1 4.21Å; I513-F562 HydrophobicContact CD1-CE1 3.93Å; F516-F562 HydrophobicContact CD1-CD1 4.01Å; F516-F562 AromaticContact CD1-CE1 3.49Å; F516-F562 HydrophobicContact CD1-CE1 3.49Å; F516-F562 VanDerWaalsContact CD1-CE1 3.49Å; F516-F562 HydrophobicContact CD1-CZ 4.17Å; F516-F562 AromaticContact CE1-CD1 3.84Å; F516-F562 HydrophobicContact CE1-CD1 3.84Å; F516-F562 AromaticContact CE1-CE1 3.52Å; F516-F562 HydrophobicContact CE1-CE1 3.52Å; F516-F562 HydrophobicContact CE1-CG 4.49Å; F516-F562 AromaticContact CE1-CZ 3.93Å; F516-F562 HydrophobicContact CE1-CZ 3.93Å; F516-F562 HydrophobicContact CE2-CZ 4.49Å; F516-F562 HydrophobicContact CG-CE1 4.1Å; F516-F562 HydrophobicContact CZ-CE1 4.17Å; F516-F562 HydrophobicContact CZ-CZ 4.11Å; D560-F562 PolarHBondContact O-N 3.05Å; F562-G564 VanDerWaalsContact C-N 3.29Å; F562-G564 PolarHBondContact O-N 3.35Å; F562-E565 PolarHBondContact O-N 3.36Å; F562-V566 HydrophobicContact CD1-CG2 4.34Å; F562-V566 HydrophobicContact CD2-CG2 4.15Å; F562-V566 HydrophobicContact CE1-CG2 3.99Å; F562-V566 HydrophobicContact CE2-CG2 3.79Å; F562-V566 HydrophobicContact CG-CG2 4.42Å; F562-V566 HydrophobicContact CZ-CG2 3.72Å; F562-V566 WeakPolarHBondContact O-CB 3.4Å; F562-V566 WeakPolarHBondContact O-CG2 3.33Å; F562-V566 PolarHBondContact O-N 2.92Å
563	A	94.3	Very high	94.2	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-39	176.6	0	0	0	0	0	111.7	Y509 I513 W559 D560 L567	Y509-A563 PolarHBondContact OH-O 3.19Å; I513-A563 HydrophobicContact CD1-CB 4.38Å; W559-A563 HydrophobicContact CE3-CB 4.28Å; D560-A563 PolarHBondContact O-N 3.35Å; D560-A563 VanDerWaalsContact O-N 3.13Å; D560-A563 WeakPolarHBondContact OD1-CB 3.4Å; D560-A563 PolarHBondContact OD1-N 2.97Å; A563-L567 WeakPolarHBondContact O-CB 3.18Å; A563-L567 PolarHBondContact O-N 3.3Å
564	G	95	Very high	94.4	Very high	6 Å²	6	55.6 Å²	55.6	6%	0.062	30%	0.296	C	S	.	.	H	α-helix	trans	-61.7	-49.4	175	0	0	0	0	0	112.9	D560 D561 F562 L567 D568	D560-G564 PolarHBondContact O-N 2.98Å; D560-G564 VanDerWaalsContact O-N 3.09Å; D561-G564 PolarHBondContact O-N 2.98Å; F562-G564 VanDerWaalsContact C-N 3.29Å; F562-G564 PolarHBondContact O-N 3.35Å; G564-L567 PolarHBondContact O-N 3.15Å; G564-D568 PolarHBondContact O-N 2.93Å
565	E	95.3	Very high	94.5	Very high	135 Å²	135	56.9 Å²	56.9	63%	0.631	30%	0.304	S	S	*	.	H	α-helix	trans	-63.8	-41.9	178.9	-74	177.4	-179.5	0	0	112.6	D561 F562 L567 D568 S569	D561-E565 WeakPolarHBondContact O-CB 3.09Å; D561-E565 WeakPolarHBondContact O-CG 3.38Å; D561-E565 PolarHBondContact O-N 2.76Å; F562-E565 PolarHBondContact O-N 3.36Å; E565-L567 VanDerWaalsContact C-N 3.31Å; E565-L567 PolarHBondContact O-N 3.42Å; E565-D568 PolarHBondContact O-N 2.93Å; E565-S569 WeakPolarHBondContact O-CB 3.32Å; E565-S569 PolarHBondContact O-N 2.97Å
566	V	96.5	Very high	94.8	Very high	34 Å²	34	54.1 Å²	54.1	21%	0.206	28%	0.281	C	S	.	.	H	α-helix	trans	-67	-35.5	177.6	177.9	0	0	0	0	110.7	Y509 F512 I513 F562 L570	Y509-V566 HydrophobicContact CD2-CG1 3.78Å; Y509-V566 HydrophobicContact CE2-CB 4.17Å; Y509-V566 HydrophobicContact CE2-CG1 3.92Å; F512-V566 HydrophobicContact CD1-CG1 4.19Å; F512-V566 HydrophobicContact CE1-CG1 4.2Å; F512-V566 HydrophobicContact CE1-CG2 4.42Å; I513-V566 HydrophobicContact CD1-CB 4.23Å; I513-V566 HydrophobicContact CD1-CG1 4.24Å; I513-V566 HydrophobicContact CD1-CG2 4.45Å; F562-V566 HydrophobicContact CD1-CG2 4.34Å; F562-V566 HydrophobicContact CD2-CG2 4.15Å; F562-V566 HydrophobicContact CE1-CG2 3.99Å; F562-V566 HydrophobicContact CE2-CG2 3.79Å; F562-V566 HydrophobicContact CG-CG2 4.42Å; F562-V566 HydrophobicContact CZ-CG2 3.72Å; F562-V566 WeakPolarHBondContact O-CB 3.4Å; F562-V566 WeakPolarHBondContact O-CG2 3.33Å; F562-V566 PolarHBondContact O-N 2.92Å; V566-L570 WeakPolarHBondContact O-CB 3.44Å; V566-L570 PolarHBondContact O-N 3.11Å
567	L	97.6	Very high	95.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-67.9	-43.2	174.8	-175.6	61.8	0	0	0	111.9	P372 L506 Y509 Y554 W559 A563 G564 E565 S569 L570 Y571	P372-L567 HydrophobicContact CG-CD2 4.16Å; L506-L567 HydrophobicContact CD1-CD1 4.43Å; Y509-L567 HydrophobicContact CD1-CD1 4.24Å; Y509-L567 HydrophobicContact CE1-CD1 3.96Å; Y509-L567 HydrophobicContact CE2-CB 3.96Å; Y509-L567 HydrophobicContact CE2-CD1 4.36Å; Y554-L567 HydrophobicContact CE1-CD1 4.31Å; Y554-L567 HydrophobicContact CE1-CD2 4.16Å; W559-L567 HydrophobicContact CH2-CD2 3.68Å; W559-L567 HydrophobicContact CZ3-CD2 3.8Å; A563-L567 WeakPolarHBondContact O-CB 3.18Å; A563-L567 PolarHBondContact O-N 3.3Å; G564-L567 PolarHBondContact O-N 3.15Å; E565-L567 VanDerWaalsContact C-N 3.31Å; E565-L567 PolarHBondContact O-N 3.42Å; L567-S569 VanDerWaalsContact C-N 3.35Å; L567-L570 HydrophobicContact CD1-CD2 4.05Å; L567-L570 WeakPolarHBondContact O-CB 3.35Å; L567-L570 PolarHBondContact O-N 2.92Å; L567-Y571 HydrophobicContact CD1-CE1 4Å; L567-Y571 HydrophobicContact CD1-CE2 3.91Å; L567-Y571 HydrophobicContact CD2-CE2 4.01Å; L567-Y571 HydrophobicContact CG-CD2 4.23Å; L567-Y571 HydrophobicContact CG-CE2 3.57Å; L567-Y571 WeakPolarHBondContact O-CD2 3.36Å; L567-Y571 PolarHBondContact O-N 3.37Å
568	D	96.9	Very high	95.5	Very high	54 Å²	54	47 Å²	47	29%	0.289	25%	0.247	S	C	.	.	H	α-helix	trans	-61	-45.2	173.6	-178.3	66.1	0	0	0	111	F378 G564 E565 L570 Y571 N572	F378-D568 HydrophobicContact CE2-CB 4.1Å; F378-D568 HydrophobicContact CZ-CB 4.22Å; G564-D568 PolarHBondContact O-N 2.93Å; E565-D568 PolarHBondContact O-N 2.93Å; D568-L570 VanDerWaalsContact C-N 3.28Å; D568-L570 PolarHBondContact O-N 3.47Å; D568-Y571 PolarHBondContact O-N 2.96Å; D568-Y571 VanDerWaalsContact O-N 3.16Å; D568-N572 VanDerWaalsContact CG-ND2 3.33Å; D568-N572 PolarHBondContact O-N 3.02Å; D568-N572 PolarHBondContact O-ND2 3.34Å; D568-N572 PolarHBondContact OD1-ND2 2.98Å; D568-N572 VanDerWaalsContact OD1-ND2 3.15Å; D568-N572 PolarHBondContact OD2-ND2 2.95Å; D568-N572 VanDerWaalsContact OD2-ND2 3.15Å
569	S	97.3	Very high	95.8	Very high	63 Å²	63	42.9 Å²	42.9	44%	0.441	23%	0.228	S	C	.	.	H	α-helix	trans	-59.5	-38.3	173.9	-179.9	0	0	0	0	112.3	E565 L567 N572 T573	E565-S569 WeakPolarHBondContact O-CB 3.32Å; E565-S569 PolarHBondContact O-N 2.97Å; L567-S569 VanDerWaalsContact C-N 3.35Å; S569-N572 PolarHBondContact O-N 3.32Å; S569-T573 WeakPolarHBondContact O-CB 3.47Å; S569-T573 WeakPolarHBondContact O-CG2 3.14Å; S569-T573 PolarHBondContact O-N 2.98Å; S569-T573 VanDerWaalsContact O-N 3.15Å; S569-T573 PolarHBondContact O-OG1 2.85Å
570	L	97.7	Very high	96	Very high	17 Å²	17	40.7 Å²	40.7	9%	0.089	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-51.1	174.7	171.8	73.8	0	0	0	110.3	V501 L506 Y509 V566 L567 D568 N572 T573 A574	V501-L570 HydrophobicContact CG2-CD1 4.41Å; V501-L570 HydrophobicContact CG2-CD2 4.4Å; V501-L570 HydrophobicContact CG2-CG 4.18Å; L506-L570 HydrophobicContact CB-CD2 4.46Å; L506-L570 HydrophobicContact CD1-CD2 3.86Å; Y509-L570 HydrophobicContact CG-CD2 4.18Å; V566-L570 WeakPolarHBondContact O-CB 3.44Å; V566-L570 PolarHBondContact O-N 3.11Å; L567-L570 HydrophobicContact CD1-CD2 4.05Å; L567-L570 WeakPolarHBondContact O-CB 3.35Å; L567-L570 PolarHBondContact O-N 2.92Å; D568-L570 VanDerWaalsContact C-N 3.28Å; D568-L570 PolarHBondContact O-N 3.47Å; L570-N572 PolarHBondContact O-N 2.7Å; L570-T573 PolarHBondContact O-N 3.41Å; L570-A574 HydrophobicContact CD1-CB 3.6Å; L570-A574 HydrophobicContact CG-CB 4.31Å; L570-A574 VanDerWaalsContact O-CB 3.24Å; L570-A574 WeakPolarHBondContact O-CB 3.44Å; L570-A574 PolarHBondContact O-N 2.94Å
571	Y	97.5	Very high	96	Very high	20 Å²	20	39.1 Å²	39.1	8%	0.078	21%	0.212	C	C	.	.	H	α-helix	trans	-63.7	-29.3	-178.1	-64.8	-35.3	0	0	0	113.5	M369 A370 F378 L380 V501 Y554 L567 D568	M369-Y571 HydrophobicContact CE-CD1 3.75Å; M369-Y571 HydrophobicContact CE-CE1 3.77Å; M369-Y571 HydrophobicContact CE-CG 4.16Å; M369-Y571 HydrophobicContact SD-CD1 4.34Å; M369-Y571 HydrophobicContact SD-CE1 4.03Å; A370-Y571 PolarHBondContact N-OH 3.26Å; A370-Y571 WeakPolarHBondContact O-CE2 3.33Å; A370-Y571 PolarHBondContact O-OH 2.97Å; A370-Y571 VanDerWaalsContact O-OH 3.05Å; F378-Y571 HydrophobicContact CE1-CD2 4.13Å; F378-Y571 AromaticContact CE1-CE2 3.96Å; F378-Y571 HydrophobicContact CE1-CE2 3.96Å; F378-Y571 HydrophobicContact CZ-CD2 4.15Å; F378-Y571 HydrophobicContact CZ-CE2 4.05Å; L380-Y571 HydrophobicContact CD2-CD2 3.92Å; L380-Y571 HydrophobicContact CD2-CE2 3.68Å; V501-Y571 HydrophobicContact CB-CD1 4.03Å; V501-Y571 HydrophobicContact CB-CE1 4.29Å; V501-Y571 HydrophobicContact CG1-CD1 3.99Å; V501-Y571 HydrophobicContact CG1-CE1 3.73Å; V501-Y571 HydrophobicContact CG2-CD1 4.47Å; Y554-Y571 PolarHBondContact OH-OH 2.76Å; Y554-Y571 VanDerWaalsContact OH-OH 3.06Å; L567-Y571 HydrophobicContact CD1-CE1 4Å; L567-Y571 HydrophobicContact CD1-CE2 3.91Å; L567-Y571 HydrophobicContact CD2-CE2 4.01Å; L567-Y571 HydrophobicContact CG-CD2 4.23Å; L567-Y571 HydrophobicContact CG-CE2 3.57Å; L567-Y571 WeakPolarHBondContact O-CD2 3.36Å; L567-Y571 PolarHBondContact O-N 3.37Å; D568-Y571 PolarHBondContact O-N 2.96Å; D568-Y571 VanDerWaalsContact O-N 3.16Å
572	N	95.7	Very high	96	Very high	83 Å²	83	34.8 Å²	34.8	44%	0.444	19%	0.187	S	C	.	.	H	α-helix	trans	-88.3	-6.9	179.4	-69.6	-57.3	0	0	0	114.4	D568 S569 L570 L597	D568-N572 VanDerWaalsContact CG-ND2 3.33Å; D568-N572 PolarHBondContact O-N 3.02Å; D568-N572 PolarHBondContact O-ND2 3.34Å; D568-N572 PolarHBondContact OD1-ND2 2.98Å; D568-N572 VanDerWaalsContact OD1-ND2 3.15Å; D568-N572 PolarHBondContact OD2-ND2 2.95Å; D568-N572 VanDerWaalsContact OD2-ND2 3.15Å; S569-N572 PolarHBondContact O-N 3.32Å; L570-N572 PolarHBondContact O-N 2.7Å; N572-L597 VanDerWaalsContact C-CD1 3.5Å; N572-L597 VanDerWaalsContact O-CD1 3.31Å; N572-L597 WeakPolarHBondContact O-CD1 3.39Å
573	T	96.4	Very high	95.4	Very high	98 Å²	98	32.8 Å²	32.8	60%	0.601	18%	0.182	S	C	*	.	H	α-helix	trans	-131.1	-27.3	-175	61.9	0	0	0	0	115.1	S569 L570 L597	S569-T573 WeakPolarHBondContact O-CB 3.47Å; S569-T573 WeakPolarHBondContact O-CG2 3.14Å; S569-T573 PolarHBondContact O-N 2.98Å; S569-T573 VanDerWaalsContact O-N 3.15Å; S569-T573 PolarHBondContact O-OG1 2.85Å; L570-T573 PolarHBondContact O-N 3.41Å; T573-L597 VanDerWaalsContact C-CD1 3.48Å
574	A	97.2	Very high	94.5	Very high	4 Å²	4	37 Å²	37	3%	0.033	21%	0.208	C	C	.	.	S	Bend	trans	-75.4	150.2	-177.4	0	0	0	0	0	112.5	V501 Y505 L570 L597	V501-A574 HydrophobicContact CG2-CB 3.78Å; Y505-A574 HydrophobicContact CD1-CB 4.05Å; Y505-A574 HydrophobicContact CG-CB 4.04Å; L570-A574 HydrophobicContact CD1-CB 3.6Å; L570-A574 HydrophobicContact CG-CB 4.31Å; L570-A574 VanDerWaalsContact O-CB 3.24Å; L570-A574 WeakPolarHBondContact O-CB 3.44Å; L570-A574 PolarHBondContact O-N 2.94Å; A574-L597 VanDerWaalsContact O-CD1 3.28Å; A574-L597 WeakPolarHBondContact O-CD1 3.46Å; A574-L597 WeakPolarHBondContact O-CG 3.38Å
575	P	97.9	Very high	93.6	Very high	27 Å²	27	39.8 Å²	39.8	18%	0.175	23%	0.23	C	C	.	.			trans	-55.8	154.4	168.4	-24.1	34.7	0	0	0	112.4	D502 Y505 K594 Q595	D502-P575 WeakPolarHBondContact CB-O 3.48Å; D502-P575 PolarHBondContact N-O 2.83Å; Y505-P575 HydrophobicContact CD2-CG 4.38Å; Y505-P575 HydrophobicContact CE2-CG 3.76Å; P575-K594 HydrophobicContact CB-CB 4.3Å; P575-Q595 CarbonylContact C-O 3.45Å; P575-Q595 VanDerWaalsContact CA-O 3.29Å; P575-Q595 WeakPolarHBondContact CA-O 3.26Å; P575-Q595 WeakPolarHBondContact CB-O 3.28Å
576	I	98.1	Very high	93.2	Very high	6 Å²	6	42 Å²	42	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	149.9	-179.6	61.9	176.5	0	0	0	111.6	Y383 T385 H500 K594 Q595 L597	Y383-I576 HydrophobicContact CD2-CD1 3.78Å; Y383-I576 HydrophobicContact CD2-CG2 4.3Å; Y383-I576 HydrophobicContact CE2-CG2 4.38Å; Y383-I576 HydrophobicContact CG-CD1 4.14Å; T385-I576 HydrophobicContact CG2-CD1 3.91Å; H500-I576 CarbonylContact O-C 3.53Å; H500-I576 VanDerWaalsContact O-CA 3.27Å; H500-I576 WeakPolarHBondContact O-CA 2.98Å; H500-I576 WeakPolarHBondContact O-CB 3.46Å; I576-K594 PolarHBondContact O-N 2.91Å; I576-Q595 HydrophobicContact CG1-CB 4.05Å; I576-Q595 PolarHBondContact N-O 2.97Å; I576-Q595 PolarHBondContact O-N 2.87Å; I576-L597 HydrophobicContact CG2-CD2 3.81Å; I576-L597 HydrophobicContact CG2-CG 4.42Å
577	S	98	Very high	92.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	121.1	162	-58.6	0	0	0	0	108.3	S499 H500 E593	S499-S577 VanDerWaalsContact CA-O 3.28Å; S499-S577 WeakPolarHBondContact CA-O 3.43Å; H500-S577 WeakPolarHBondContact CE1-CB 3.41Å; H500-S577 PolarHBondContact N-O 3.18Å; H500-S577 VanDerWaalsContact N-O 3.1Å; H500-S577 PolarHBondContact O-N 2.84Å; S577-E593 WeakPolarHBondContact CB-OE2 3.4Å; S577-E593 PolarHBondContact OG-OE2 3.36Å
578	M	97.9	Very high	92.7	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	131	-177.4	-176.1	71.1	-140.1	0	0	110.3	Y383 T385 C388 C497 K498 C580 W592 Q595	Y383-M578 WeakPolarHBondContact O-CE 3.26Å; Y383-M578 VanDerWaalsContact O-SD 3.42Å; T385-M578 HydrophobicContact CG2-CG 4.48Å; T385-M578 HydrophobicContact CG2-SD 3.68Å; C388-M578 HydrophobicContact CB-CE 4.15Å; C497-M578 HydrophobicContact CB-CE 4.37Å; C497-M578 WeakPolarHBondContact SG-CE 3.48Å; K498-M578 WeakPolarHBondContact O-CE 3.45Å; M578-C580 HydrophobicContact CG-CB 4.48Å; M578-W592 HydrophobicContact CB-CB 4.19Å; M578-W592 HydrophobicContact CB-CE3 4.12Å; M578-W592 HydrophobicContact CG-CE3 3.86Å; M578-W592 HydrophobicContact CG-CZ3 4.4Å; M578-W592 PolarHBondContact N-O 3.44Å; M578-W592 WeakPolarHBondContact O-CB 3.24Å; M578-Q595 HydrophobicContact CB-CG 4.11Å
579	H	96.4	Very high	92.5	Very high	47 Å²	47	48.2 Å²	48.2	22%	0.218	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	93.4	173.2	-72.6	-129.5	0	0	0	107.7	V364 L496 C497 K498 H500 N581	V364-H579 HydrophobicContact CG2-CB 3.81Å; V364-H579 VanDerWaalsContact CG2-CG 3.49Å; L496-H579 CarbonylContact C-O 3.56Å; L496-H579 HydrophobicContact CD2-CB 3.45Å; L496-H579 VanDerWaalsContact CD2-CB 3.45Å; C497-H579 WeakPolarHBondContact CA-O 3.39Å; K498-H579 PolarHBondContact N-O 3.26Å; K498-H579 PolarHBondContact O-N 3.49Å; H500-H579 AromaticContact CD2-CD2 3.81Å; H500-H579 AromaticContact CD2-NE2 3.35Å; H500-H579 PolarHBondContact CD2-NE2 3.31Å; H500-H579 AromaticContact NE2-CD2 3.8Å; H500-H579 AromaticContact NE2-CE1 3.97Å; H500-H579 AromaticContact NE2-NE2 3Å; H500-H579 PolarHBondContact NE2-NE2 3.14Å; H579-N581 VanDerWaalsContact C-OD1 3.31Å
580	C	96.4	Very high	92.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	86	175.3	-167.8	0	0	0	0	107.4	C388 M578 L587 F588 W592	C388-C580 VanDerWaalsContact CA-SG 3.5Å; C388-C580 HydrophobicContact CB-CB 3.77Å; C388-C580 WeakPolarHBondContact CB-SG 3.5Å; C388-C580 WeakPolarHBondContact SG-CB 3.46Å; C388-C580 CovalentContact SG-SG 2.03Å; C388-C580 PolarHBondContact SG-SG 3.12Å; M578-C580 HydrophobicContact CG-CB 4.48Å; C580-L587 WeakPolarHBondContact O-CA 3.1Å; C580-F588 WeakPolarHBondContact O-CD2 3.32Å; C580-F588 PolarHBondContact O-N 3.33Å; C580-W592 HydrophobicContact CB-CD2 4.07Å; C580-W592 HydrophobicContact CB-CE3 4.02Å; C580-W592 HydrophobicContact CB-CH2 3.86Å; C580-W592 HydrophobicContact CB-CZ2 3.91Å; C580-W592 HydrophobicContact CB-CZ3 3.91Å
581	N	91.9	Very high	92.1	Very high	26 Å²	26	53.6 Å²	53.6	14%	0.139	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	142	-170.9	-54.9	32.1	0	0	0	112.1	E495 L496 H579 R586 L587	E495-N581 PolarHBondContact N-O 2.77Å; L496-N581 HydrophobicContact CB-CB 4.05Å; L496-N581 PolarHBondContact N-O 2.88Å; L496-N581 PolarHBondContact O-N 2.98Å; H579-N581 VanDerWaalsContact C-OD1 3.31Å; N581-R586 CarbonylContact C-O 3.53Å; N581-R586 WeakPolarHBondContact CA-O 3.36Å; N581-L587 WeakPolarHBondContact OD1-CD2 3.23Å
582	Q	89.1	Confident	92	Very high	37 Å²	37	53.1 Å²	53.1	17%	0.173	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	161.8	170.4	-63.3	170.9	54.1	0	0	111	Q493 T584 A585 R586 L587 F588	Q493-Q582 HydrophobicContact CB-CG 4.45Å; Q493-Q582 CarbonylContact O-C 3.59Å; Q493-Q582 WeakPolarHBondContact O-CA 3.49Å; Q582-T584 PolarHBondContact O-N 2.94Å; Q582-A585 WeakPolarHBondContact O-CA 3.34Å; Q582-A585 PolarHBondContact O-N 2.71Å; Q582-R586 WeakPolarHBondContact CB-O 3.22Å; Q582-R586 PolarHBondContact N-O 3.08Å; Q582-L587 PolarHBondContact NE2-O 3.08Å; Q582-F588 HydrophobicContact CB-CE2 4.24Å; Q582-F588 HydrophobicContact CG-CD1 4.15Å; Q582-F588 HydrophobicContact CG-CD2 3.7Å; Q582-F588 HydrophobicContact CG-CE1 3.88Å; Q582-F588 HydrophobicContact CG-CE2 3.39Å; Q582-F588 HydrophobicContact CG-CG 4.07Å; Q582-F588 HydrophobicContact CG-CZ 3.5Å; Q582-F588 VanDerWaalsContact CG-CZ 3.5Å
583	S	80.6	Confident	92.1	Very high	30 Å²	30	53.7 Å²	53.7	21%	0.21	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-16	171.4	-68.2	0	0	0	0	115.3	Q493 E495 A585	Q493-S583 PolarHBondContact O-N 3.41Å; E495-S583 WeakPolarHBondContact OE1-CA 3.32Å; E495-S583 VanDerWaalsContact OE1-CB 3.32Å; E495-S583 WeakPolarHBondContact OE1-CB 3.2Å; E495-S583 PolarHBondContact OE1-OG 3.39Å; E495-S583 WeakPolarHBondContact OE2-CA 3.44Å; S583-A585 PolarHBondContact O-N 3.25Å
584	T	74.6	Confident	92.1	Very high	88 Å²	88	55.5 Å²	55.5	54%	0.54	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	14	172.6	69.9	0	0	0	0	112.9	Q582 R586	Q582-T584 PolarHBondContact O-N 2.94Å; T584-R586 PolarHBondContact O-N 3.36Å; T584-R586 VanDerWaalsContact O-N 3.12Å
585	A	76.8	Confident	92.1	Very high	65 Å²	65	56.6 Å²	56.6	54%	0.537	30%	0.302	S	S	.	.	S	Bend	trans	57.3	19.1	-172.5	0	0	0	0	0	115.4	Q582 S583	Q582-A585 WeakPolarHBondContact O-CA 3.34Å; Q582-A585 PolarHBondContact O-N 2.71Å; S583-A585 PolarHBondContact O-N 3.25Å
586	R	85.8	Confident	92	Very high	183 Å²	183	60 Å²	60	69%	0.691	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-99.7	144.1	176.5	-67.6	-179.9	-179.6	-175.2	-0.3	110.5	N581 Q582 T584	N581-R586 CarbonylContact C-O 3.53Å; N581-R586 WeakPolarHBondContact CA-O 3.36Å; Q582-R586 WeakPolarHBondContact CB-O 3.22Å; Q582-R586 PolarHBondContact N-O 3.08Å; T584-R586 PolarHBondContact O-N 3.36Å; T584-R586 VanDerWaalsContact O-N 3.12Å
587	L	90.4	Very high	91.9	Very high	87 Å²	87	61.7 Å²	61.7	46%	0.455	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-63.7	145.8	172.1	-73.6	163.4	0	0	0	110.9	C580 N581 Q582	C580-L587 WeakPolarHBondContact O-CA 3.1Å; N581-L587 WeakPolarHBondContact OD1-CD2 3.23Å; Q582-L587 PolarHBondContact NE2-O 3.08Å
588	F	93.6	Very high	91.7	Very high	21 Å²	21	63 Å²	63	9%	0.092	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-63.2	151.9	163	-79.9	-91.9	0	0	0	110.1	T391 A392 Q493 L494 C580 Q582 G590 W592	T391-F588 HydrophobicContact CG2-CB 3.92Å; T391-F588 HydrophobicContact CG2-CD1 4.08Å; T391-F588 HydrophobicContact CG2-CG 4.27Å; A392-F588 HydrophobicContact CB-CD1 4.19Å; A392-F588 HydrophobicContact CB-CD2 4.14Å; A392-F588 HydrophobicContact CB-CE1 3.79Å; A392-F588 HydrophobicContact CB-CE2 3.76Å; A392-F588 HydrophobicContact CB-CG 4.35Å; A392-F588 HydrophobicContact CB-CZ 3.56Å; Q493-F588 HydrophobicContact CB-CZ 3.94Å; L494-F588 HydrophobicContact CB-CE2 4.22Å; L494-F588 HydrophobicContact CB-CZ 4.39Å; L494-F588 HydrophobicContact CD1-CD2 4.34Å; L494-F588 HydrophobicContact CD1-CE2 3.84Å; C580-F588 WeakPolarHBondContact O-CD2 3.32Å; C580-F588 PolarHBondContact O-N 3.33Å; Q582-F588 HydrophobicContact CB-CE2 4.24Å; Q582-F588 HydrophobicContact CG-CD1 4.15Å; Q582-F588 HydrophobicContact CG-CD2 3.7Å; Q582-F588 HydrophobicContact CG-CE1 3.88Å; Q582-F588 HydrophobicContact CG-CE2 3.39Å; Q582-F588 HydrophobicContact CG-CG 4.07Å; Q582-F588 HydrophobicContact CG-CZ 3.5Å; Q582-F588 VanDerWaalsContact CG-CZ 3.5Å; F588-G590 PolarHBondContact O-N 2.99Å; F588-W592 HydrophobicContact CB-CZ2 3.9Å; F588-W592 PolarHBondContact O-NE1 3.13Å
589	P	93.1	Very high	91.2	Very high	109 Å²	109	70.3 Å²	70.3	71%	0.708	38%	0.375	S	S	*	.	S	Bend	trans	-60.2	129.4	175.7	-23.3	34.1	0	0	0	111.9
590	G	91.9	Very high	91	Very high	45 Å²	45	70.6 Å²	70.6	46%	0.464	38%	0.38	S	S	.	.	S	Bend	trans	149.3	165.9	176.8	0	0	0	0	0	113.3	F588 W592	F588-G590 PolarHBondContact O-N 2.99Å; G590-W592 PolarHBondContact O-NE1 3.02Å
591	E	94.4	Very high	90.8	Very high	149 Å²	149	74.9 Å²	74.9	70%	0.696	41%	0.406	S	S	*	.			trans	-80.9	117.3	170.7	-67.2	-59.3	135.7	0	0	109.9	K387 Q595	K387-E591 PolarHBondContact NZ-O 3.08Å; E591-Q595 PolarHBondContact O-NE2 3.04Å
592	W	96.8	Very high	90.7	Very high	9 Å²	9	76.3 Å²	76.3	3%	0.034	42%	0.418	C	S	.	.			trans	-114.9	-6.2	-175.4	-56.2	109.9	0	0	0	114.4	K387 C388 T391 M578 C580 F588 G590 Q595	K387-W592 HydrophobicContact CB-CZ3 4.23Å; K387-W592 HydrophobicContact CD-CE3 4.42Å; K387-W592 HydrophobicContact CD-CZ3 4.01Å; K387-W592 HydrophobicContact CG-CH2 4.25Å; K387-W592 HydrophobicContact CG-CZ3 3.86Å; C388-W592 HydrophobicContact CB-CH2 4.29Å; C388-W592 HydrophobicContact CB-CZ3 3.96Å; T391-W592 HydrophobicContact CG2-CH2 4.45Å; T391-W592 HydrophobicContact CG2-CZ2 4.41Å; M578-W592 HydrophobicContact CB-CB 4.19Å; M578-W592 HydrophobicContact CB-CE3 4.12Å; M578-W592 HydrophobicContact CG-CE3 3.86Å; M578-W592 HydrophobicContact CG-CZ3 4.4Å; M578-W592 PolarHBondContact N-O 3.44Å; M578-W592 WeakPolarHBondContact O-CB 3.24Å; C580-W592 HydrophobicContact CB-CD2 4.07Å; C580-W592 HydrophobicContact CB-CE3 4.02Å; C580-W592 HydrophobicContact CB-CH2 3.86Å; C580-W592 HydrophobicContact CB-CZ2 3.91Å; C580-W592 HydrophobicContact CB-CZ3 3.91Å; F588-W592 HydrophobicContact CB-CZ2 3.9Å; F588-W592 PolarHBondContact O-NE1 3.13Å; G590-W592 PolarHBondContact O-NE1 3.02Å; W592-Q595 WeakPolarHBondContact O-CG 3.41Å
593	E	96.8	Very high	90.9	Very high	95 Å²	95	80.1 Å²	80.1	44%	0.444	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	153.8	174.9	-62.1	-55.7	141.2	0	0	111.2	S577 Q595	S577-E593 WeakPolarHBondContact CB-OE2 3.4Å; S577-E593 PolarHBondContact OG-OE2 3.36Å; E593-Q595 PolarHBondContact O-N 2.86Å; E593-Q595 VanDerWaalsContact O-N 3.11Å; E593-Q595 PolarHBondContact O-NE2 2.82Å
594	K	95.9	Very high	91.2	Very high	137 Å²	137	81.5 Å²	81.5	60%	0.596	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	37.6	174.8	-61.6	174.4	-177.3	170.4	0	114.2	D502 P575 I576	D502-K594 WeakPolarHBondContact OD2-CE 3.39Å; D502-K594 WeakPolarHBondContact OD2-CG 3.32Å; P575-K594 HydrophobicContact CB-CB 4.3Å; I576-K594 PolarHBondContact O-N 2.91Å
595	Q	97.5	Very high	91.7	Very high	27 Å²	27	82.6 Å²	82.6	13%	0.126	45%	0.452	C	S	.	.	B	Isolated β-bridge	trans	-69.4	143.4	173.6	-58.7	-55.6	-75.9	0	0	109.5	K387 P575 I576 M578 E591 W592 E593	K387-Q595 VanDerWaalsContact CD-OE1 3.32Å; P575-Q595 CarbonylContact C-O 3.45Å; P575-Q595 VanDerWaalsContact CA-O 3.29Å; P575-Q595 WeakPolarHBondContact CA-O 3.26Å; P575-Q595 WeakPolarHBondContact CB-O 3.28Å; I576-Q595 HydrophobicContact CG1-CB 4.05Å; I576-Q595 PolarHBondContact N-O 2.97Å; I576-Q595 PolarHBondContact O-N 2.87Å; M578-Q595 HydrophobicContact CB-CG 4.11Å; E591-Q595 PolarHBondContact O-NE2 3.04Å; W592-Q595 WeakPolarHBondContact O-CG 3.41Å; E593-Q595 PolarHBondContact O-N 2.86Å; E593-Q595 VanDerWaalsContact O-N 3.11Å; E593-Q595 PolarHBondContact O-NE2 2.82Å
596	P	96.4	Very high	91.8	Very high	98 Å²	98	84.4 Å²	84.4	64%	0.636	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-64.6	149.7	173.8	29	-34.7	0	0	0	110.4
597	L	95.1	Very high	91.2	Very high	42 Å²	42	81.4 Å²	81.4	22%	0.22	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-60.2	136.9	169.2	-78.2	159.5	0	0	0	109.8	Y383 N572 T573 A574 I576 E599	Y383-L597 HydrophobicContact CD2-CD2 4.29Å; Y383-L597 HydrophobicContact CE2-CD2 3.45Å; Y383-L597 VanDerWaalsContact CE2-CD2 3.45Å; N572-L597 VanDerWaalsContact C-CD1 3.5Å; N572-L597 VanDerWaalsContact O-CD1 3.31Å; N572-L597 WeakPolarHBondContact O-CD1 3.39Å; T573-L597 VanDerWaalsContact C-CD1 3.48Å; A574-L597 VanDerWaalsContact O-CD1 3.28Å; A574-L597 WeakPolarHBondContact O-CD1 3.46Å; A574-L597 WeakPolarHBondContact O-CG 3.38Å; I576-L597 HydrophobicContact CG2-CD2 3.81Å; I576-L597 HydrophobicContact CG2-CG 4.42Å; L597-E599 PolarHBondContact O-N 3.19Å
598	P	94.1	Very high	90.4	Very high	28 Å²	28	85 Å²	85	18%	0.182	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-61.1	130.7	174.9	-25	36	0	0	0	112.2	Y383 T385 V455	Y383-P598 HydrophobicContact CD1-CB 4.38Å; Y383-P598 HydrophobicContact CD1-CG 3.59Å; Y383-P598 HydrophobicContact CE1-CG 4.21Å; Y383-P598 HydrophobicContact CG-CG 3.99Å; T385-P598 HydrophobicContact CG2-CG 4.33Å; V455-P598 HydrophobicContact CG1-CB 3.69Å; V455-P598 HydrophobicContact CG1-CG 3.79Å; V455-P598 HydrophobicContact CG2-CB 4.25Å
599	E	88.6	Confident	89.6	Confident	154 Å²	154	84.9 Å²	84.9	72%	0.72	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-80	128.1	177.5	-168.9	-179.1	175.1	0	0	110.9	G422 L597 T601	G422-E599 WeakPolarHBondContact CA-O 3.42Å; L597-E599 PolarHBondContact O-N 3.19Å; E599-T601 HydrophobicContact CG-CG2 4.07Å
600	V	91.8	Very high	88.4	Confident	53 Å²	53	84.5 Å²	84.5	32%	0.321	45%	0.446	S	S	.	.			trans	-119.3	106.6	173.2	-174.3	0	0	0	0	108.5	V419 G422 E424 I457 I603	V419-V600 HydrophobicContact CG1-CG2 4.45Å; V419-V600 HydrophobicContact CG2-CG2 4.27Å; G422-V600 CarbonylContact O-C 3.58Å; E424-V600 HydrophobicContact CG-CG1 4.16Å; I457-V600 HydrophobicContact CD1-CG2 3.45Å; I457-V600 VanDerWaalsContact CD1-CG2 3.45Å; V600-I603 HydrophobicContact CG1-CG1 4.34Å
601	T	91.3	Very high	87.4	Confident	89 Å²	89	84.4 Å²	84.4	55%	0.546	44%	0.437	S	S	.	.	S	Bend	trans	-90.7	-19.2	-178.3	62.2	0	0	0	0	113.4	G422 E599	G422-T601 PolarHBondContact O-N 2.9Å; G422-T601 PolarHBondContact O-OG1 3.19Å; E599-T601 HydrophobicContact CG-CG2 4.07Å
602	S	91.1	Very high	85.8	Confident	56 Å²	56	80.5 Å²	80.5	39%	0.392	42%	0.419	S	S	.	.	B	Isolated β-bridge	trans	-147.9	132.2	179.3	-172.6	0	0	0	0	110.1	G422 E424	G422-S602 PolarHBondContact O-N 3.03Å; E424-S602 PolarHBondContact N-O 2.79Å
603	I	91.4	Very high	83.4	Confident	117 Å²	117	82.2 Å²	82.2	60%	0.6	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-100	145.6	178	-59.1	173.2	0	0	0	108.2	E424 V600	E424-I603 WeakPolarHBondContact OE2-CG2 3.48Å; V600-I603 HydrophobicContact CG1-CG1 4.34Å
604	L	88.6	Confident	80.7	Confident	60 Å²	60	80.9 Å²	80.9	31%	0.314	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-70.5	129.8	175.8	-167.2	74.9	0	0	0	108.5	E424 V427 K606	E424-L604 HydrophobicContact CB-CB 3.97Å; E424-L604 PolarHBondContact OE2-N 3.26Å; V427-L604 HydrophobicContact CG2-CD2 4.05Å; L604-K606 PolarHBondContact O-N 3.34Å
605	P	83.9	Confident	77.7	Confident	111 Å²	111	79.3 Å²	79.3	72%	0.721	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-61.1	137.7	177.8	24.5	-32.3	0	0	0	110.3	H607	P605-H607 PolarHBondContact O-N 3.03Å
606	K	79	Confident	74.6	Confident	103 Å²	103	83.8 Å²	83.8	45%	0.448	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-59	137.7	173.1	-165.2	-177.3	177.4	-174.3	0	108.3	E156 L604 R608	E156-K606 IonicContact OE1-NZ 3.63Å; E156-K606 WeakPolarHBondContact OE2-CE 3.42Å; E156-K606 IonicContact OE2-NZ 3.92Å; E156-K606 PolarHBondContact OE2-NZ 3.04Å; L604-K606 PolarHBondContact O-N 3.34Å; K606-R608 PolarHBondContact O-N 3.42Å
607	H	74.4	Confident	71.4	Confident	119 Å²	119	84 Å²	84	55%	0.551	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-58	122.8	167.7	-173.4	64.8	0	0	0	107.9	P605	P605-H607 PolarHBondContact O-N 3.03Å
608	R	73	Confident	68.5	Low	162 Å²	162	92.3 Å²	92.3	61%	0.611	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-97.4	124.1	175.8	-68.2	-173.1	-179	179.8	-0.4	108.2	K606 E612 E616	K606-R608 PolarHBondContact O-N 3.42Å; R608-E612 WeakPolarHBondContact CA-OE2 3.28Å; R608-E616 IonicContact NH1-OE1 2.62Å; R608-E616 PolarHBondContact NH1-OE1 3.08Å
609	Y	75.7	Confident	65.4	Low	19 Å²	19	99.5 Å²	99.5	8%	0.075	57%	0.569	C	S	.	*	P	Polyproline II helix	trans	-72.1	155.5	166.9	-67.2	-86.7	0	0	0	110.4	F145 S146 V154 E156 C611 E612	F145-Y609 HydrophobicContact CB-CD1 4.34Å; F145-Y609 HydrophobicContact CB-CE1 4.11Å; F145-Y609 HydrophobicContact CD2-CE1 4.21Å; S146-Y609 WeakPolarHBondContact OG-CB 3.45Å; V154-Y609 HydrophobicContact CG1-CD2 3.8Å; V154-Y609 HydrophobicContact CG1-CE2 4.05Å; V154-Y609 HydrophobicContact CG1-CG 4.39Å; E156-Y609 WeakPolarHBondContact CA-OH 3.29Å; E156-Y609 HydrophobicContact CB-CE2 3.84Å; Y609-C611 PolarHBondContact O-N 3.36Å; Y609-E612 WeakPolarHBondContact CD2-OE2 3.33Å; Y609-E612 PolarHBondContact N-OE2 3.16Å; Y609-E612 WeakPolarHBondContact O-CB 3.34Å; Y609-E612 PolarHBondContact O-N 2.96Å
610	P	68.6	Low	64.3	Low	102 Å²	102	96.8 Å²	96.8	66%	0.662	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.2	-27.5	-169.9	-29.9	36	0	0	0	115.9
611	C	71.9	Confident	62.8	Low	43 Å²	43	99.1 Å²	99.1	29%	0.291	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.3	-2.1	179.8	-69.1	0	0	0	0	114.4	T147 C148 Y609 G613	T147-C611 VanDerWaalsContact C-SG 3.56Å; T147-C611 WeakPolarHBondContact O-CB 3.44Å; C148-C611 WeakPolarHBondContact CA-SG 3.5Å; C148-C611 HydrophobicContact CB-CB 3.89Å; C148-C611 WeakPolarHBondContact CB-SG 3.41Å; C148-C611 PolarHBondContact N-SG 2.89Å; C148-C611 WeakPolarHBondContact SG-CB 3.21Å; C148-C611 CovalentContact SG-SG 2.05Å; C148-C611 PolarHBondContact SG-SG 2.79Å; Y609-C611 PolarHBondContact O-N 3.36Å; C611-G613 PolarHBondContact O-N 3.4Å; C611-G613 VanDerWaalsContact O-N 3.17Å
612	E	60.8	Low	61.2	Low	67 Å²	67	99.6 Å²	99.6	31%	0.313	58%	0.576	S	S	.	*	S	Bend	trans	-78.3	9.5	-179.9	-79.2	-173.5	149	0	0	114.3	R608 Y609	R608-E612 WeakPolarHBondContact CA-OE2 3.28Å; Y609-E612 WeakPolarHBondContact CD2-OE2 3.33Å; Y609-E612 PolarHBondContact N-OE2 3.16Å; Y609-E612 WeakPolarHBondContact O-CB 3.34Å; Y609-E612 PolarHBondContact O-N 2.96Å
613	G	45.9	Very low	59.5	Low	44 Å²	44	102.2 Å²	102.2	45%	0.454	59%	0.587	S	S	.	*			trans	-119.4	98.6	174.8	0	0	0	0	0	110.5	C611 A615	C611-G613 PolarHBondContact O-N 3.4Å; C611-G613 VanDerWaalsContact O-N 3.17Å; G613-A615 PolarHBondContact O-N 3.13Å
614	G	39.8	Very low	57.5	Low	68 Å²	68	101.3 Å²	101.3	70%	0.701	59%	0.586	S	S	*	*			trans	-51.8	141	158.8	0	0	0	0	0	108.9	E616	G614-E616 PolarHBondContact O-N 3.37Å
615	A	31.9	Very low	55.4	Low	103 Å²	103	104 Å²	104	85%	0.851	60%	0.604	S	S	*	*			trans	-45.2	108	-179.5	0	0	0	0	0	110.3	G613 S617	G613-A615 PolarHBondContact O-N 3.13Å; A615-S617 VanDerWaalsContact C-N 3.3Å; A615-S617 PolarHBondContact O-N 2.85Å
616	E	32.7	Very low	53.4	Low	121 Å²	121	103.5 Å²	103.5	57%	0.565	60%	0.596	S	S	*	*			trans	-61.7	102.2	165.2	-78.8	178.8	-171.4	0	0	105.3	R608 G614 Y618	R608-E616 IonicContact NH1-OE1 2.62Å; R608-E616 PolarHBondContact NH1-OE1 3.08Å; G614-E616 PolarHBondContact O-N 3.37Å; E616-Y618 VanDerWaalsContact C-N 3.27Å; E616-Y618 PolarHBondContact O-N 2.83Å
617	S	28.9	Very low	51.4	Low	103 Å²	103	103.5 Å²	103.5	72%	0.72	61%	0.607	S	S	*	*			trans	-62.6	97.2	168.4	57.5	0	0	0	0	106.6	A615 S619	A615-S617 VanDerWaalsContact C-N 3.3Å; A615-S617 PolarHBondContact O-N 2.85Å; S617-S619 PolarHBondContact O-N 3.27Å
618	Y	34.4	Very low	49.5	Very low	217 Å²	217	102.3 Å²	102.3	85%	0.851	61%	0.612	S	S	*	*			trans	-61.9	96.6	157.5	-76.3	-89.9	0	0	0	106.7	E616	E616-Y618 VanDerWaalsContact C-N 3.27Å; E616-Y618 PolarHBondContact O-N 2.83Å
619	S	30.1	Very low	47.3	Very low	178 Å²	178	96.8 Å²	96.8	100%	1.245	61%	0.612	S	S	*	*			trans	-109.2	0	161.4	65.4	0	0	0	0	109.2	S617	S617-S619 PolarHBondContact O-N 3.27Å

Retrieved 619 of 619 residues in 122.8 ms (Link to these results)

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