A0A5K4F0Y7_SCHMA Loading...

Exostosin-2

AlphaFold DB , UniProt , Accession A0A5K4F0Y7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 693 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.6	Very low	54.7	Low	240 Å²	240	135.6 Å²	135.6	100%	1.182	72%	0.724	S	S	*	*				0	142.7	0	-117.3	178.5	178.2	0	0	107.7
2	L	39.1	Very low	56.8	Low	166 Å²	166	135.4 Å²	135.4	87%	0.869	71%	0.712	S	S	*	*			trans	90.8	78.6	-179.8	-55.9	157.8	0	0	0	115.1	P4	L2-P4 VanDerWaalsContact O-CD 3.29Å; L2-P4 WeakPolarHBondContact O-CD 3.04Å
3	L	35.2	Very low	58.5	Low	174 Å²	174	135.2 Å²	135.2	91%	0.911	70%	0.701	S	S	*	*			trans	-61.9	112.3	149.4	-82.3	140.1	0	0	0	108.2	N5	L3-N5 PolarHBondContact O-N 3.43Å
4	P	50.1	Low	60.3	Low	105 Å²	105	136.9 Å²	136.9	68%	0.682	70%	0.696	S	S	*	*			trans	-91	109.1	178.5	17.5	-0.4	0	0	0	110	L2 V6	L2-P4 VanDerWaalsContact O-CD 3.29Å; L2-P4 WeakPolarHBondContact O-CD 3.04Å; P4-V6 PolarHBondContact O-N 3.28Å
5	N	52.8	Low	61.9	Low	133 Å²	133	137.3 Å²	137.3	71%	0.711	69%	0.692	S	S	*	*			trans	37.6	51.5	141.1	-73.2	-16.9	0	0	0	118.8	L3 N7 S8	L3-N5 PolarHBondContact O-N 3.43Å; N5-N7 PolarHBondContact O-N 3.35Å; N5-S8 PolarHBondContact O-N 2.99Å
6	V	57.2	Low	63.4	Low	97 Å²	97	134 Å²	134	59%	0.588	68%	0.676	S	S	*	*	H	α-helix	trans	-60.4	-28.1	168.3	178.2	0	0	0	0	111.4	P4 S8 Y10	P4-V6 PolarHBondContact O-N 3.28Å; V6-S8 PolarHBondContact O-N 3.34Å; V6-Y10 HydrophobicContact CG1-CD2 3.86Å; V6-Y10 HydrophobicContact CG1-CE2 3.56Å; V6-Y10 WeakPolarHBondContact O-CD2 3.35Å
7	N	55.5	Low	64.8	Low	130 Å²	130	130.5 Å²	130.5	70%	0.695	66%	0.662	S	S	*	*	H	α-helix	trans	-70.9	-29.5	-177.2	-76.8	-7.5	0	0	0	114.8	N5 F9 C11	N5-N7 PolarHBondContact O-N 3.35Å; N7-F9 VanDerWaalsContact C-N 3.34Å; N7-C11 PolarHBondContact O-N 3.15Å
8	S	59.8	Low	66.2	Low	81 Å²	81	127.7 Å²	127.7	57%	0.566	66%	0.656	S	S	*	*	H	α-helix	trans	-71.5	-33.3	-179.8	78	0	0	0	0	111.8	N5 V6 F12	N5-S8 PolarHBondContact O-N 2.99Å; V6-S8 PolarHBondContact O-N 3.34Å; S8-F12 PolarHBondContact O-N 3.12Å
9	F	69	Low	67.3	Low	142 Å²	142	128.2 Å²	128.2	62%	0.623	65%	0.653	S	S	*	*	H	α-helix	trans	-69.5	-40.7	-179.7	-160.5	-95.7	0	0	0	111.9	N7 F12 K13	N7-F9 VanDerWaalsContact C-N 3.34Å; F9-F12 PolarHBondContact O-N 2.87Å; F9-K13 WeakPolarHBondContact O-CB 3.32Å; F9-K13 PolarHBondContact O-N 3.06Å
10	Y	75	Confident	68.3	Low	134 Å²	134	126.1 Å²	126.1	53%	0.525	64%	0.642	S	S	.	*	H	α-helix	trans	-65.6	-45.2	175.5	-79.5	-75.3	0	0	0	111.9	V6 F12 K13 Y14	V6-Y10 HydrophobicContact CG1-CD2 3.86Å; V6-Y10 HydrophobicContact CG1-CE2 3.56Å; V6-Y10 WeakPolarHBondContact O-CD2 3.35Å; Y10-F12 VanDerWaalsContact C-N 3.31Å; Y10-F12 PolarHBondContact O-N 3.09Å; Y10-K13 PolarHBondContact O-N 3.44Å; Y10-K13 VanDerWaalsContact O-N 3.15Å; Y10-Y14 HydrophobicContact CD1-CE2 4.45Å; Y10-Y14 WeakPolarHBondContact O-CD2 3.2Å; Y10-Y14 PolarHBondContact O-N 3.36Å
11	C	74.1	Confident	69.3	Low	90 Å²	90	124.4 Å²	124.4	61%	0.608	63%	0.634	S	S	*	*	H	α-helix	trans	-59	-42	176.9	-75	0	0	0	0	112.3	N7 Y14 F15	N7-C11 PolarHBondContact O-N 3.15Å; C11-Y14 PolarHBondContact O-N 3.48Å; C11-F15 WeakPolarHBondContact O-CB 3.21Å; C11-F15 PolarHBondContact O-N 3.23Å
12	F	79.1	Confident	71.7	Confident	133 Å²	133	120 Å²	120	58%	0.583	61%	0.609	S	S	*	*	H	α-helix	trans	-64.7	-40.1	176.5	-169.8	-99.6	0	0	0	112	S8 F9 Y10 F15 L16	S8-F12 PolarHBondContact O-N 3.12Å; F9-F12 PolarHBondContact O-N 2.87Å; Y10-F12 VanDerWaalsContact C-N 3.31Å; Y10-F12 PolarHBondContact O-N 3.09Å; F12-F15 PolarHBondContact O-N 3.24Å; F12-L16 HydrophobicContact CE1-CD1 3.87Å; F12-L16 HydrophobicContact CZ-CD1 4.22Å; F12-L16 WeakPolarHBondContact O-CB 3.45Å; F12-L16 PolarHBondContact O-N 2.93Å
13	K	79.5	Confident	73.5	Confident	132 Å²	132	114.8 Å²	114.8	57%	0.574	59%	0.586	S	S	*	*	H	α-helix	trans	-65.1	-42.9	178.3	-146.9	179.3	-173.8	-175.8	0	112	F9 Y10 L16 V17	F9-K13 WeakPolarHBondContact O-CB 3.32Å; F9-K13 PolarHBondContact O-N 3.06Å; Y10-K13 PolarHBondContact O-N 3.44Å; Y10-K13 VanDerWaalsContact O-N 3.15Å; K13-L16 PolarHBondContact O-N 3.05Å; K13-V17 WeakPolarHBondContact O-CG2 2.92Å; K13-V17 PolarHBondContact O-N 2.77Å; K13-V17 VanDerWaalsContact O-N 3.08Å
14	Y	83.1	Confident	75.7	Confident	160 Å²	160	112.7 Å²	112.7	63%	0.627	57%	0.573	S	S	*	*	H	α-helix	trans	-65.9	-41.1	175.6	-80.6	-71.7	0	0	0	112.3	Y10 C11 L16 V17 C18	Y10-Y14 HydrophobicContact CD1-CE2 4.45Å; Y10-Y14 WeakPolarHBondContact O-CD2 3.2Å; Y10-Y14 PolarHBondContact O-N 3.36Å; C11-Y14 PolarHBondContact O-N 3.48Å; Y14-L16 VanDerWaalsContact C-N 3.33Å; Y14-L16 PolarHBondContact O-N 3.5Å; Y14-V17 PolarHBondContact O-N 3.07Å; Y14-C18 WeakPolarHBondContact O-CB 3.37Å; Y14-C18 PolarHBondContact O-N 2.99Å; Y14-C18 PolarHBondContact O-SG 3.26Å; Y14-C18 VanDerWaalsContact O-SG 3.39Å
15	F	85.1	Confident	76.9	Confident	143 Å²	143	112.4 Å²	112.4	63%	0.627	57%	0.565	S	S	*	*	H	α-helix	trans	-60.7	-43.6	176.2	-174.8	-96.1	0	0	0	111.8	C11 F12 C18 F19	C11-F15 WeakPolarHBondContact O-CB 3.21Å; C11-F15 PolarHBondContact O-N 3.23Å; F12-F15 PolarHBondContact O-N 3.24Å; F15-C18 PolarHBondContact O-N 3.32Å; F15-F19 WeakPolarHBondContact O-CB 3.39Å; F15-F19 PolarHBondContact O-N 3.41Å
16	L	85.1	Confident	77.8	Confident	84 Å²	84	112.4 Å²	112.4	44%	0.44	56%	0.558	S	S	.	*	H	α-helix	trans	-67.5	-38.5	-179.7	-160.6	138.1	0	0	0	112.1	F12 K13 Y14 F19 I20	F12-L16 HydrophobicContact CE1-CD1 3.87Å; F12-L16 HydrophobicContact CZ-CD1 4.22Å; F12-L16 WeakPolarHBondContact O-CB 3.45Å; F12-L16 PolarHBondContact O-N 2.93Å; K13-L16 PolarHBondContact O-N 3.05Å; Y14-L16 VanDerWaalsContact C-N 3.33Å; Y14-L16 PolarHBondContact O-N 3.5Å; L16-F19 PolarHBondContact O-N 3.07Å; L16-I20 HydrophobicContact CD2-CD1 3.63Å; L16-I20 HydrophobicContact CD2-CG1 4.5Å; L16-I20 VanDerWaalsContact O-CG1 3.28Å; L16-I20 WeakPolarHBondContact O-CG1 3.49Å; L16-I20 PolarHBondContact O-N 3.39Å
17	V	88	Confident	78.2	Confident	74 Å²	74	114 Å²	114	45%	0.448	56%	0.558	S	S	.	*	H	α-helix	trans	-65.4	-45.7	173.8	172.6	0	0	0	0	111.3	K13 Y14 F19 I20 I21	K13-V17 WeakPolarHBondContact O-CG2 2.92Å; K13-V17 PolarHBondContact O-N 2.77Å; K13-V17 VanDerWaalsContact O-N 3.08Å; Y14-V17 PolarHBondContact O-N 3.07Å; V17-F19 VanDerWaalsContact C-N 3.31Å; V17-F19 PolarHBondContact O-N 3.31Å; V17-I20 PolarHBondContact O-N 2.9Å; V17-I21 HydrophobicContact CG1-CD1 3.85Å; V17-I21 WeakPolarHBondContact O-CG1 3.37Å; V17-I21 PolarHBondContact O-N 3.26Å
18	C	88.8	Confident	78.6	Confident	80 Å²	80	115.8 Å²	115.8	54%	0.541	56%	0.556	S	S	.	*	H	α-helix	trans	-61.6	-39.7	176.5	-73.3	0	0	0	0	112.1	Y14 F15 I21 F22	Y14-C18 WeakPolarHBondContact O-CB 3.37Å; Y14-C18 PolarHBondContact O-N 2.99Å; Y14-C18 PolarHBondContact O-SG 3.26Å; Y14-C18 VanDerWaalsContact O-SG 3.39Å; F15-C18 PolarHBondContact O-N 3.32Å; C18-I21 PolarHBondContact O-N 3.24Å; C18-F22 WeakPolarHBondContact O-CB 3.38Å; C18-F22 PolarHBondContact O-N 2.89Å
19	F	87.8	Confident	78.3	Confident	137 Å²	137	119.6 Å²	119.6	60%	0.601	56%	0.559	S	S	*	*	H	α-helix	trans	-64.8	-41	177.2	-171.9	-95.6	0	0	0	112.2	F15 L16 V17 F22 S23	F15-F19 WeakPolarHBondContact O-CB 3.39Å; F15-F19 PolarHBondContact O-N 3.41Å; L16-F19 PolarHBondContact O-N 3.07Å; V17-F19 VanDerWaalsContact C-N 3.31Å; V17-F19 PolarHBondContact O-N 3.31Å; F19-F22 PolarHBondContact O-N 3.31Å; F19-S23 WeakPolarHBondContact O-CB 3.24Å; F19-S23 PolarHBondContact O-N 3.17Å
20	I	88.3	Confident	77.1	Confident	86 Å²	86	119.7 Å²	119.7	44%	0.441	56%	0.556	S	S	.	*	H	α-helix	trans	-65.1	-42.3	175.1	-68.6	168.2	0	0	0	111.1	L16 V17 F22 S23 M24	L16-I20 HydrophobicContact CD2-CD1 3.63Å; L16-I20 HydrophobicContact CD2-CG1 4.5Å; L16-I20 VanDerWaalsContact O-CG1 3.28Å; L16-I20 WeakPolarHBondContact O-CG1 3.49Å; L16-I20 PolarHBondContact O-N 3.39Å; V17-I20 PolarHBondContact O-N 2.9Å; I20-F22 VanDerWaalsContact C-N 3.35Å; I20-S23 PolarHBondContact O-N 3.01Å; I20-S23 PolarHBondContact O-OG 2.85Å; I20-S23 VanDerWaalsContact O-OG 3.05Å; I20-M24 HydrophobicContact CG2-CG 4.38Å; I20-M24 WeakPolarHBondContact O-CB 3.34Å; I20-M24 WeakPolarHBondContact O-CG 3.26Å; I20-M24 PolarHBondContact O-N 3.37Å
21	I	88	Confident	75.7	Confident	91 Å²	91	117.6 Å²	117.6	47%	0.467	55%	0.554	S	S	.	*	H	α-helix	trans	-64.6	-43.2	177.6	-67	167.8	0	0	0	110.3	V17 C18 M24 I25	V17-I21 HydrophobicContact CG1-CD1 3.85Å; V17-I21 WeakPolarHBondContact O-CG1 3.37Å; V17-I21 PolarHBondContact O-N 3.26Å; C18-I21 PolarHBondContact O-N 3.24Å; I21-M24 PolarHBondContact O-N 2.98Å; I21-I25 HydrophobicContact CG2-CD1 3.82Å; I21-I25 HydrophobicContact CG2-CG1 4.49Å; I21-I25 VanDerWaalsContact O-CG1 3.29Å; I21-I25 WeakPolarHBondContact O-CG1 3.02Å; I21-I25 PolarHBondContact O-N 3.07Å
22	F	85	Confident	74.2	Confident	149 Å²	149	117.9 Å²	117.9	65%	0.654	55%	0.55	S	S	*	.	H	α-helix	trans	-66.7	-39.4	179.1	-156	-89	0	0	0	111.9	C18 F19 I20 I25 F26	C18-F22 WeakPolarHBondContact O-CB 3.38Å; C18-F22 PolarHBondContact O-N 2.89Å; F19-F22 PolarHBondContact O-N 3.31Å; I20-F22 VanDerWaalsContact C-N 3.35Å; F22-I25 PolarHBondContact O-N 3.02Å; F22-F26 VanDerWaalsContact O-CB 3.32Å; F22-F26 WeakPolarHBondContact O-CB 3.5Å; F22-F26 PolarHBondContact O-N 3.12Å
23	S	77.4	Confident	72	Confident	55 Å²	55	115.6 Å²	115.6	39%	0.385	55%	0.547	S	S	.	.	H	α-helix	trans	-66.6	-38.9	175.2	78.8	0	0	0	0	111.7	F19 I20 F26 F27	F19-S23 WeakPolarHBondContact O-CB 3.24Å; F19-S23 PolarHBondContact O-N 3.17Å; I20-S23 PolarHBondContact O-N 3.01Å; I20-S23 PolarHBondContact O-OG 2.85Å; I20-S23 VanDerWaalsContact O-OG 3.05Å; S23-F26 PolarHBondContact O-N 3.03Å; S23-F27 VanDerWaalsContact O-CB 3.22Å; S23-F27 WeakPolarHBondContact O-CB 3.31Å; S23-F27 PolarHBondContact O-N 2.02Å
24	M	81.1	Confident	69.7	Low	130 Å²	130	113.5 Å²	113.5	64%	0.64	55%	0.545	S	S	*	.	H	α-helix	trans	-65.3	-41.2	175.3	-72.4	-73.9	-84.6	0	0	112	I20 I21 Y28	I20-M24 HydrophobicContact CG2-CG 4.38Å; I20-M24 WeakPolarHBondContact O-CB 3.34Å; I20-M24 WeakPolarHBondContact O-CG 3.26Å; I20-M24 PolarHBondContact O-N 3.37Å; I21-M24 PolarHBondContact O-N 2.98Å; M24-Y28 WeakPolarHBondContact O-CB 3.42Å; M24-Y28 PolarHBondContact O-N 3.09Å
25	I	76.3	Confident	67.4	Low	100 Å²	100	109.2 Å²	109.2	51%	0.513	54%	0.543	S	S	.	.	H	α-helix	trans	-65.6	-44.2	174.8	-67.5	166.3	0	0	0	110.4	I21 F22 Y28 Y29	I21-I25 HydrophobicContact CG2-CD1 3.82Å; I21-I25 HydrophobicContact CG2-CG1 4.49Å; I21-I25 VanDerWaalsContact O-CG1 3.29Å; I21-I25 WeakPolarHBondContact O-CG1 3.02Å; I21-I25 PolarHBondContact O-N 3.07Å; F22-I25 PolarHBondContact O-N 3.02Å; I25-Y28 PolarHBondContact O-N 2.75Å; I25-Y29 WeakPolarHBondContact O-CB 3.23Å; I25-Y29 PolarHBondContact O-N 3.01Å
26	F	71.1	Confident	64.8	Low	132 Å²	132	106.7 Å²	106.7	58%	0.579	54%	0.536	S	S	*	.	H	α-helix	trans	-65.4	-41.4	178.7	-165.8	-91.5	0	0	0	111.6	F22 S23 Y29 Y30	F22-F26 VanDerWaalsContact O-CB 3.32Å; F22-F26 WeakPolarHBondContact O-CB 3.5Å; F22-F26 PolarHBondContact O-N 3.12Å; S23-F26 PolarHBondContact O-N 3.03Å; F26-Y29 PolarHBondContact O-N 3.39Å; F26-Y30 HydrophobicContact CE1-CD2 4.49Å; F26-Y30 WeakPolarHBondContact O-CB 3.1Å; F26-Y30 PolarHBondContact O-N 2.92Å
27	F	64.7	Low	62.5	Low	132 Å²	132	104 Å²	104	58%	0.579	52%	0.521	S	S	*	.	H	α-helix	trans	-67.6	-39.2	176.5	-151.7	-96.4	0	0	0	111.5	S23 N31	S23-F27 VanDerWaalsContact O-CB 3.22Å; S23-F27 WeakPolarHBondContact O-CB 3.31Å; S23-F27 PolarHBondContact O-N 2.02Å; F27-N31 WeakPolarHBondContact CD1-ND2 3.36Å; F27-N31 WeakPolarHBondContact CE1-ND2 3.4Å; F27-N31 VanDerWaalsContact O-CB 3.25Å; F27-N31 WeakPolarHBondContact O-CB 3.49Å; F27-N31 VanDerWaalsContact O-CG 3.3Å; F27-N31 PolarHBondContact O-N 2.74Å; F27-N31 PolarHBondContact O-ND2 2.92Å
28	Y	64	Low	60.1	Low	167 Å²	167	105.2 Å²	105.2	66%	0.655	53%	0.525	S	S	*	.	H	α-helix	trans	-64.2	-41.5	172.9	-177.3	-98.1	0	0	0	111.8	M24 I25 N32	M24-Y28 WeakPolarHBondContact O-CB 3.42Å; M24-Y28 PolarHBondContact O-N 3.09Å; I25-Y28 PolarHBondContact O-N 2.75Å; Y28-N32 WeakPolarHBondContact CE1-ND2 3.36Å; Y28-N32 VanDerWaalsContact CE2-ND2 3.34Å; Y28-N32 WeakPolarHBondContact CE2-ND2 3.3Å; Y28-N32 VanDerWaalsContact O-CB 3.27Å; Y28-N32 WeakPolarHBondContact O-CB 3.39Å; Y28-N32 VanDerWaalsContact O-CG 3.3Å; Y28-N32 PolarHBondContact O-N 2.93Å; Y28-N32 VanDerWaalsContact O-N 3.11Å; Y28-N32 PolarHBondContact O-ND2 3.39Å
29	Y	53.4	Low	58	Low	160 Å²	160	103 Å²	103	63%	0.627	51%	0.511	S	S	*	.	H	α-helix	trans	-70	-46.1	178.2	-146.7	-88.1	0	0	0	111	I25 F26 N31 N32 T33	I25-Y29 WeakPolarHBondContact O-CB 3.23Å; I25-Y29 PolarHBondContact O-N 3.01Å; F26-Y29 PolarHBondContact O-N 3.39Å; Y29-N31 PolarHBondContact O-N 2.88Å; Y29-N32 PolarHBondContact O-N 3.19Å; Y29-N32 VanDerWaalsContact O-N 3.16Å; Y29-T33 HydrophobicContact CD1-CG2 3.73Å; Y29-T33 HydrophobicContact CE1-CG2 3.68Å; Y29-T33 WeakPolarHBondContact O-CG2 3.36Å; Y29-T33 PolarHBondContact O-N 3.04Å; Y29-T33 PolarHBondContact O-OG1 3.27Å
30	Y	45.5	Very low	55.6	Low	144 Å²	144	98.2 Å²	98.2	57%	0.565	49%	0.491	S	S	*	.	H	α-helix	trans	-61.8	-45	179.4	-168.9	-95.2	0	0	0	111.9	F26 N32 T33	F26-Y30 HydrophobicContact CE1-CD2 4.49Å; F26-Y30 WeakPolarHBondContact O-CB 3.1Å; F26-Y30 PolarHBondContact O-N 2.92Å; Y30-N32 VanDerWaalsContact C-N 3.3Å; Y30-N32 PolarHBondContact O-N 3Å; Y30-T33 PolarHBondContact O-N 3.37Å; Y30-T33 PolarHBondContact O-OG1 3.36Å
31	N	45.2	Very low	53.2	Low	90 Å²	90	99.9 Å²	99.9	48%	0.481	49%	0.492	S	S	.	.	H	α-helix	trans	-67.2	-29.9	176.1	-74.6	-14.4	0	0	0	112.7	F27 Y29	F27-N31 WeakPolarHBondContact CD1-ND2 3.36Å; F27-N31 WeakPolarHBondContact CE1-ND2 3.4Å; F27-N31 VanDerWaalsContact O-CB 3.25Å; F27-N31 WeakPolarHBondContact O-CB 3.49Å; F27-N31 VanDerWaalsContact O-CG 3.3Å; F27-N31 PolarHBondContact O-N 2.74Å; F27-N31 PolarHBondContact O-ND2 2.92Å; Y29-N31 PolarHBondContact O-N 2.88Å
32	N	41.8	Very low	50.6	Low	96 Å²	96	98.7 Å²	98.7	51%	0.513	49%	0.487	S	S	.	.	H	α-helix	trans	-84.7	-11.7	177.7	-76.5	-33.8	0	0	0	114.4	Y28 Y29 Y30	Y28-N32 WeakPolarHBondContact CE1-ND2 3.36Å; Y28-N32 VanDerWaalsContact CE2-ND2 3.34Å; Y28-N32 WeakPolarHBondContact CE2-ND2 3.3Å; Y28-N32 VanDerWaalsContact O-CB 3.27Å; Y28-N32 WeakPolarHBondContact O-CB 3.39Å; Y28-N32 VanDerWaalsContact O-CG 3.3Å; Y28-N32 PolarHBondContact O-N 2.93Å; Y28-N32 VanDerWaalsContact O-N 3.11Å; Y28-N32 PolarHBondContact O-ND2 3.39Å; Y29-N32 PolarHBondContact O-N 3.19Å; Y29-N32 VanDerWaalsContact O-N 3.16Å; Y30-N32 VanDerWaalsContact C-N 3.3Å; Y30-N32 PolarHBondContact O-N 3Å
33	T	33	Very low	48.2	Very low	85 Å²	85	92.5 Å²	92.5	52%	0.521	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	13.5	-176.8	50.3	0	0	0	0	115.8	Y29 Y30	Y29-T33 HydrophobicContact CD1-CG2 3.73Å; Y29-T33 HydrophobicContact CE1-CG2 3.68Å; Y29-T33 WeakPolarHBondContact O-CG2 3.36Å; Y29-T33 PolarHBondContact O-N 3.04Å; Y29-T33 PolarHBondContact O-OG1 3.27Å; Y30-T33 PolarHBondContact O-N 3.37Å; Y30-T33 PolarHBondContact O-OG1 3.36Å
34	T	30.5	Very low	45.9	Very low	88 Å²	88	95.1 Å²	95.1	54%	0.54	47%	0.468	S	S	.	.			trans	-107.8	49.9	176.8	52.3	0	0	0	0	112.7	N36	T34-N36 PolarHBondContact O-N 2.7Å
35	A	35.9	Very low	43.6	Very low	71 Å²	71	91.4 Å²	91.4	59%	0.587	45%	0.45	S	S	*	.			trans	-93.8	81.6	165.4	0	0	0	0	0	109.2
36	N	29.7	Very low	41.4	Very low	89 Å²	89	95 Å²	95	48%	0.476	47%	0.468	S	S	.	.			trans	-68.1	144.4	-175.2	-73.1	-23.4	0	0	0	112.8	T34 N38 S39 S273	T34-N36 PolarHBondContact O-N 2.7Å; N36-N38 PolarHBondContact O-N 3.07Å; N36-S39 WeakPolarHBondContact O-CB 3.45Å; N36-S39 PolarHBondContact O-N 2.99Å; N36-S39 VanDerWaalsContact O-N 3.11Å; N36-S273 PolarHBondContact OD1-O 3.09Å
37	F	36.8	Very low	39.4	Very low	28 Å²	28	91.4 Å²	91.4	12%	0.123	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-61	-6.9	-171.9	-167.3	-93.7	0	0	0	116	S39 N271 Q272 S273 T275	F37-S39 PolarHBondContact O-N 3.44Å; F37-S39 VanDerWaalsContact O-N 3.16Å; F37-N271 HydrophobicContact CD1-CB 4.42Å; F37-N271 HydrophobicContact CE1-CB 4.2Å; F37-N271 VanDerWaalsContact CE1-OD1 3.24Å; F37-N271 WeakPolarHBondContact CE1-OD1 3.49Å; F37-Q272 WeakPolarHBondContact CB-O 3.27Å; F37-S273 PolarHBondContact N-O 3.31Å; F37-T275 WeakPolarHBondContact CD2-O 3.44Å; F37-T275 WeakPolarHBondContact CD2-OG1 3.35Å; F37-T275 WeakPolarHBondContact CE2-OG1 3.15Å
38	N	37	Very low	37.8	Very low	99 Å²	99	91.9 Å²	91.9	53%	0.529	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-69.9	-3.4	168.5	-73.7	-7.8	0	0	0	112.7	N36 L40 Y41 N42	N36-N38 PolarHBondContact O-N 3.07Å; N38-L40 VanDerWaalsContact C-N 3.34Å; N38-L40 PolarHBondContact O-N 3.06Å; N38-L40 VanDerWaalsContact O-N 3.12Å; N38-Y41 CarbonylContact O-C 3.52Å; N38-Y41 WeakPolarHBondContact O-CA 3.06Å; N38-Y41 PolarHBondContact O-N 2.68Å; N38-N42 HydrophobicContact CB-CB 4.12Å; N38-N42 WeakPolarHBondContact O-CB 3.43Å; N38-N42 PolarHBondContact O-N 3.23Å; N38-N42 PolarHBondContact O-OD1 3.33Å
39	S	44.7	Very low	36.3	Very low	35 Å²	35	92.7 Å²	92.7	25%	0.245	48%	0.478	C	S	.	.	G	3₁₀ helix	trans	-56.7	-23.5	-170.2	65.1	0	0	0	0	118.6	N36 F37 Y41	N36-S39 WeakPolarHBondContact O-CB 3.45Å; N36-S39 PolarHBondContact O-N 2.99Å; N36-S39 VanDerWaalsContact O-N 3.11Å; F37-S39 PolarHBondContact O-N 3.44Å; F37-S39 VanDerWaalsContact O-N 3.16Å; S39-Y41 VanDerWaalsContact C-N 3.31Å
40	L	39.2	Very low	35.3	Very low	35 Å²	35	93.3 Å²	93.3	18%	0.183	49%	0.487	C	S	.	.	G	3₁₀ helix	trans	-72.7	-30.7	173.6	-98.5	162.9	0	0	0	112.1	N38 L215 Y277 F320	N38-L40 VanDerWaalsContact C-N 3.34Å; N38-L40 PolarHBondContact O-N 3.06Å; N38-L40 VanDerWaalsContact O-N 3.12Å; L40-L215 HydrophobicContact CG-CD1 4.32Å; L40-Y277 HydrophobicContact CD1-CD2 4.05Å; L40-Y277 HydrophobicContact CD1-CE2 3.66Å; L40-Y277 HydrophobicContact CD2-CE2 4.23Å; L40-Y277 HydrophobicContact CG-CD2 4.17Å; L40-Y277 HydrophobicContact CG-CE2 3.94Å; L40-F320 HydrophobicContact CD2-CD2 4.02Å; L40-F320 HydrophobicContact CD2-CE2 3.82Å; L40-F320 HydrophobicContact CD2-CZ 4.23Å
41	Y	36.5	Very low	34.7	Very low	121 Å²	121	92.8 Å²	92.8	48%	0.475	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-51.2	172.4	-90	-75.8	0	0	0	109	N38 S39 M43 P147	N38-Y41 CarbonylContact O-C 3.52Å; N38-Y41 WeakPolarHBondContact O-CA 3.06Å; N38-Y41 PolarHBondContact O-N 2.68Å; S39-Y41 VanDerWaalsContact C-N 3.31Å; Y41-M43 PolarHBondContact O-N 2.82Å; Y41-P147 HydrophobicContact CD1-CB 4.05Å; Y41-P147 HydrophobicContact CG-CB 4.3Å; Y41-P147 WeakPolarHBondContact O-CD 3.08Å; Y41-P147 WeakPolarHBondContact O-CG 3.3Å
42	N	33.7	Very low	34.2	Very low	66 Å²	66	94.7 Å²	94.7	35%	0.353	51%	0.509	S	S	.	.	S	Bend	trans	-81	42.6	-172.1	-66.3	31.9	0	0	0	113.4	N38 M44 P147	N38-N42 HydrophobicContact CB-CB 4.12Å; N38-N42 WeakPolarHBondContact O-CB 3.43Å; N38-N42 PolarHBondContact O-N 3.23Å; N38-N42 PolarHBondContact O-OD1 3.33Å; N42-M44 PolarHBondContact O-N 2.67Å; N42-P147 HydrophobicContact CB-CG 4.29Å; N42-P147 WeakPolarHBondContact OD1-CG 3.36Å
43	M	33.7	Very low	33.6	Very low	20 Å²	20	98.9 Å²	98.9	10%	0.099	52%	0.523	C	S	.	.			trans	-69.8	99.6	-178.8	-155.6	171.8	-145.2	0	0	111.9	Y41 Y144 P214	Y41-M43 PolarHBondContact O-N 2.82Å; M43-Y144 HydrophobicContact SD-CD2 4.21Å; M43-Y144 HydrophobicContact SD-CE2 4.05Å; M43-P214 HydrophobicContact CE-CB 4.14Å; M43-P214 HydrophobicContact CE-CG 3.13Å; M43-P214 HydrophobicContact SD-CG 3.99Å
44	M	30.3	Very low	33.6	Very low	109 Å²	109	103.6 Å²	103.6	54%	0.537	54%	0.538	S	S	.	.			trans	38.9	95.5	149.8	-69.6	-173.6	-84	0	0	117.9	N42	N42-M44 PolarHBondContact O-N 2.67Å
45	I	31.8	Very low	34	Very low	52 Å²	52	106.8 Å²	106.8	27%	0.267	55%	0.545	S	S	.	.			trans	-113.9	126.4	138.1	-47.7	-176.4	0	0	0	107.7	S47 Y146	I45-S47 VanDerWaalsContact CG2-CB 3.45Å; I45-S47 PolarHBondContact O-N 3.43Å; I45-Y146 HydrophobicContact CD1-CD1 4.06Å; I45-Y146 HydrophobicContact CD1-CE1 3.4Å; I45-Y146 HydrophobicContact CG1-CD1 4.21Å; I45-Y146 HydrophobicContact CG1-CE1 3.42Å; I45-Y146 VanDerWaalsContact CG1-CE1 3.42Å
46	I	29.9	Very low	34.3	Very low	175 Å²	175	110.7 Å²	110.7	90%	0.897	55%	0.551	S	S	*	*			trans	-73.5	79.5	154.4	-57.3	172.5	0	0	0	104.9
47	S	31	Very low	35.2	Very low	58 Å²	58	111 Å²	111	41%	0.406	55%	0.549	S	S	.	.			trans	-114.5	117.6	172.9	48.4	0	0	0	0	107.2	I45 E49	I45-S47 VanDerWaalsContact CG2-CB 3.45Å; I45-S47 PolarHBondContact O-N 3.43Å; S47-E49 PolarHBondContact O-N 3.18Å; S47-E49 VanDerWaalsContact O-N 3.12Å
48	N	30	Very low	35.7	Very low	141 Å²	141	114.1 Å²	114.1	75%	0.754	58%	0.575	S	S	*	*			trans	-51.5	117.9	162.5	-80	-12.7	0	0	0	107.8	E50	N48-E50 PolarHBondContact O-N 3.28Å
49	E	32.2	Very low	36.6	Very low	185 Å²	185	118.3 Å²	118.3	86%	0.864	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	9.8	-176.5	-94.1	-174.3	156.4	0	0	114.7	S47	S47-E49 PolarHBondContact O-N 3.18Å; S47-E49 VanDerWaalsContact O-N 3.12Å
50	E	33.1	Very low	37.5	Very low	173 Å²	173	120.4 Å²	120.4	81%	0.808	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	-11.7	-173	-69.1	-162.6	147.1	0	0	115.9	N48	N48-E50 PolarHBondContact O-N 3.28Å
51	D	33.7	Very low	39.2	Very low	132 Å²	132	125 Å²	125	71%	0.706	61%	0.608	S	S	*	*			trans	-101.7	3.1	-169	-72.2	-26.3	0	0	0	116.6	K53	D51-K53 PolarHBondContact O-N 2.94Å; D51-K53 VanDerWaalsContact O-N 3.11Å
52	T	32.9	Very low	41.3	Very low	131 Å²	131	120.8 Å²	120.8	80%	0.804	59%	0.594	S	S	*	*			trans	-85.1	32.6	179.3	58.5	0	0	0	0	114.5
53	K	29.8	Very low	43.7	Very low	184 Å²	184	117.8 Å²	117.8	80%	0.8	58%	0.578	S	S	*	*			trans	-100.5	124.4	172.2	-78	-179.2	-179.3	169.8	0	110.7	D51	D51-K53 PolarHBondContact O-N 2.94Å; D51-K53 VanDerWaalsContact O-N 3.11Å
54	Q	32.9	Very low	46.2	Very low	183 Å²	183	121.8 Å²	121.8	86%	0.855	60%	0.599	S	S	*	*			trans	79.9	74.4	169.3	-59.5	-179.7	-25.1	0	0	117.6
55	F	40.2	Very low	49	Very low	155 Å²	155	122.1 Å²	122.1	68%	0.68	60%	0.595	S	S	*	*			trans	-132.8	120.4	154.4	-100.3	-86.3	0	0	0	111.7	Q57	F55-Q57 PolarHBondContact O-N 2.9Å
56	H	40.3	Very low	51.6	Low	153 Å²	153	120.9 Å²	120.9	71%	0.708	59%	0.589	S	S	*	*			trans	-72.2	107.5	178.4	-78.8	-80.4	0	0	0	110.3	S58 Y59	H56-S58 PolarHBondContact O-N 2.9Å; H56-Y59 HydrophobicContact CB-CD2 4.45Å
57	Q	48.6	Very low	54.4	Low	95 Å²	95	115.7 Å²	115.7	44%	0.444	56%	0.563	S	S	.	*	G	3₁₀ helix	trans	-54.6	-9.7	173.7	-70.3	173.6	-15.4	0	0	114.4	F55 Y59	F55-Q57 PolarHBondContact O-N 2.9Å; Q57-Y59 PolarHBondContact O-N 2.94Å
58	S	49	Very low	57	Low	94 Å²	94	119.8 Å²	119.8	66%	0.657	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-76.2	-12.8	-169.1	56	0	0	0	0	116	H56	H56-S58 PolarHBondContact O-N 2.9Å
59	Y	54.4	Low	59.6	Low	187 Å²	187	120.5 Å²	120.5	73%	0.733	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-93.7	-20.6	-171.5	-76.4	-77.8	0	0	0	116	H56 Q57	H56-Y59 HydrophobicContact CB-CD2 4.45Å; Q57-Y59 PolarHBondContact O-N 2.94Å
60	Y	63.6	Low	62.1	Low	80 Å²	80	112 Å²	112	31%	0.314	53%	0.532	S	S	.	.			trans	-109.7	118	-171	-58.6	-79.3	0	0	0	111.8	M105 R158 H162	Y60-M105 HydrophobicContact CE2-CE 4.39Å; Y60-R158 VanDerWaalsContact O-CD 3.26Å; Y60-R158 WeakPolarHBondContact O-CD 3.41Å; Y60-R158 WeakPolarHBondContact O-CG 3.47Å; Y60-R158 PolarHBondContact O-NH1 3.48Å; Y60-H162 AromaticContact CD1-CD2 3.86Å; Y60-H162 AromaticContact CD1-CE1 3.48Å; Y60-H162 VanDerWaalsContact CD1-CE1 3.48Å; Y60-H162 WeakPolarHBondContact CD1-CE1 3.35Å; Y60-H162 AromaticContact CD1-CG 3.83Å; Y60-H162 AromaticContact CD1-ND1 3.57Å; Y60-H162 AromaticContact CD1-NE2 3.62Å
61	Q	76	Confident	64.4	Low	132 Å²	132	106 Å²	106	62%	0.617	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-72	142.8	174.5	-169.3	173.8	-21.8	0	0	110.9
62	L	80.5	Confident	66.4	Low	32 Å²	32	102.2 Å²	102.2	17%	0.168	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-70.6	145.6	170.2	-80.3	163	0	0	0	110	M157 R158 Y185	L62-M157 HydrophobicContact CD2-CB 4.02Å; L62-R158 HydrophobicContact CD2-CG 3.72Å; L62-R158 HydrophobicContact CG-CG 3.87Å; L62-Y185 HydrophobicContact CB-CD1 4.3Å; L62-Y185 HydrophobicContact CB-CG 4.46Å; L62-Y185 HydrophobicContact CD1-CD2 4.44Å; L62-Y185 HydrophobicContact CD1-CE2 4.37Å; L62-Y185 HydrophobicContact CD2-CG 4.47Å
63	P	83.9	Confident	68.3	Low	3 Å²	3	98.7 Å²	98.7	2%	0.019	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-58.4	165.6	170.8	-16.9	27.8	0	0	0	111.6	M157 L160 H161 W166 Y185	P63-M157 WeakPolarHBondContact CD-O 3.18Å; P63-M157 VanDerWaalsContact CG-O 3.24Å; P63-M157 WeakPolarHBondContact CG-O 3.44Å; P63-L160 HydrophobicContact CG-CB 4.32Å; P63-H161 HydrophobicContact CG-CB 4.17Å; P63-W166 HydrophobicContact CB-CZ2 4.06Å; P63-W166 HydrophobicContact CG-CZ2 4.13Å; P63-Y185 WeakPolarHBondContact CB-O 3.38Å; P63-Y185 WeakPolarHBondContact CG-O 3.48Å; P63-Y185 WeakPolarHBondContact O-CD1 3.44Å
64	L	86.5	Confident	70.8	Confident	104 Å²	104	93.8 Å²	93.8	55%	0.545	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-58.7	151.7	174.3	-67.3	176.1	0	0	0	112	E168 Y185 A187	L64-E168 HydrophobicContact CD1-CG 4.34Å; L64-E168 VanDerWaalsContact CD1-OE2 3.3Å; L64-E168 WeakPolarHBondContact CD1-OE2 3.49Å; L64-E168 WeakPolarHBondContact CG-OE2 3.44Å; L64-Y185 CarbonylContact O-C 3.57Å; L64-Y185 WeakPolarHBondContact O-CA 3.47Å; L64-A187 HydrophobicContact CB-CB 4.04Å; L64-A187 WeakPolarHBondContact O-CA 3.26Å; L64-A187 PolarHBondContact O-N 2.76Å
65	Y	88.1	Confident	73.5	Confident	116 Å²	116	85.3 Å²	85.3	46%	0.455	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-60.6	148.1	172.4	-163.6	-91.5	0	0	0	110.6	N67 K184 Y185	Y65-N67 PolarHBondContact O-N 3.49Å; Y65-K184 CarbonylContact C-O 3.58Å; Y65-K184 WeakPolarHBondContact CA-O 3.39Å; Y65-K184 HydrophobicContact CD2-CB 4.18Å; Y65-K184 HydrophobicContact CE2-CB 3.53Å; Y65-K184 HydrophobicContact CE2-CD 4.14Å; Y65-K184 HydrophobicContact CE2-CG 4.29Å; Y65-Y185 HydrophobicContact CD2-CD1 4.43Å; Y65-Y185 HydrophobicContact CD2-CE1 4.18Å
66	I	87.5	Confident	75.9	Confident	26 Å²	26	78.5 Å²	78.5	13%	0.133	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-53.5	125.5	-176.8	-170.6	171.7	0	0	0	110.9	K68 K184 A187	I66-K68 PolarHBondContact O-N 3.31Å; I66-K184 WeakPolarHBondContact CB-O 3.31Å; I66-K184 PolarHBondContact N-O 2.84Å; I66-A187 WeakPolarHBondContact CA-O 3.24Å
67	N	88.2	Confident	78.3	Confident	66 Å²	66	74.5 Å²	74.5	35%	0.353	37%	0.365	S	S	.	.			trans	-79.4	107.5	174.5	179.6	-3.7	0	0	0	109.4	Y65 H69 C70 A187 R202	Y65-N67 PolarHBondContact O-N 3.49Å; N67-H69 PolarHBondContact O-N 3.44Å; N67-H69 PolarHBondContact OD1-N 3Å; N67-C70 VanDerWaalsContact CB-SG 3.6Å; N67-C70 WeakPolarHBondContact O-CB 3.15Å; N67-C70 PolarHBondContact O-N 2.85Å; N67-C70 PolarHBondContact O-SG 3.49Å; N67-C70 VanDerWaalsContact O-SG 3.4Å; N67-A187 PolarHBondContact N-O 3.25Å; N67-R202 WeakPolarHBondContact O-CD 3.4Å; N67-R202 PolarHBondContact O-NH1 2.81Å
68	K	86.1	Confident	80.1	Confident	144 Å²	144	72.6 Å²	72.6	63%	0.626	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.6	-178.7	-64.9	-172.1	178.9	-174.7	0	113.8	I66 C70	I66-K68 PolarHBondContact O-N 3.31Å; K68-C70 VanDerWaalsContact C-N 3.31Å
69	H	84.6	Confident	81.7	Confident	156 Å²	156	71.5 Å²	71.5	72%	0.722	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	13.4	179.7	-57.8	-64.7	0	0	0	112.8	N67 T71 T74	N67-H69 PolarHBondContact O-N 3.44Å; N67-H69 PolarHBondContact OD1-N 3Å; H69-T71 PolarHBondContact O-N 3.13Å; H69-T74 PolarHBondContact O-OG1 3.47Å
70	C	84.3	Confident	83.3	Confident	5 Å²	5	65.5 Å²	65.5	3%	0.034	33%	0.33	C	S	.	.			trans	-66.5	120.6	174.5	-77	0	0	0	0	110.9	N67 K68 C75 F205	N67-C70 VanDerWaalsContact CB-SG 3.6Å; N67-C70 WeakPolarHBondContact O-CB 3.15Å; N67-C70 PolarHBondContact O-N 2.85Å; N67-C70 PolarHBondContact O-SG 3.49Å; N67-C70 VanDerWaalsContact O-SG 3.4Å; K68-C70 VanDerWaalsContact C-N 3.31Å; C70-C75 WeakPolarHBondContact CA-SG 3.39Å; C70-C75 HydrophobicContact CB-CB 3.44Å; C70-C75 VanDerWaalsContact CB-CB 3.44Å; C70-C75 WeakPolarHBondContact CB-SG 3.49Å; C70-C75 WeakPolarHBondContact SG-CB 3.08Å; C70-C75 CovalentContact SG-SG 2.03Å; C70-C75 PolarHBondContact SG-SG 3.09Å; C70-F205 HydrophobicContact CB-CD1 4.01Å; C70-F205 HydrophobicContact CB-CD2 4.47Å; C70-F205 HydrophobicContact CB-CE1 3.81Å; C70-F205 HydrophobicContact CB-CE2 4.28Å; C70-F205 HydrophobicContact CB-CG 4.33Å; C70-F205 HydrophobicContact CB-CZ 3.96Å
71	T	81	Confident	84.4	Confident	47 Å²	47	62 Å²	62	29%	0.288	32%	0.318	S	S	.	.			trans	-116.9	166.3	166.1	67.7	0	0	0	0	107.5	H69 S73 T74 C75 F205	H69-T71 PolarHBondContact O-N 3.13Å; T71-S73 PolarHBondContact O-N 3.05Å; T71-S73 PolarHBondContact OG1-N 3Å; T71-S73 PolarHBondContact OG1-OG 3.01Å; T71-T74 PolarHBondContact N-OG1 2.91Å; T71-T74 PolarHBondContact O-N 3.47Å; T71-T74 VanDerWaalsContact O-N 3.08Å; T71-T74 PolarHBondContact O-OG1 2.87Å; T71-T74 PolarHBondContact OG1-N 3.18Å; T71-T74 PolarHBondContact OG1-OG1 3.16Å; T71-C75 PolarHBondContact O-N 2.85Å; T71-F205 VanDerWaalsContact C-CD2 3.5Å
72	Y	76.6	Confident	84.5	Confident	54 Å²	54	60.1 Å²	60.1	21%	0.212	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-25.4	171.5	-169.2	-92.3	0	0	0	112.3	F76 I78 V409	Y72-F76 HydrophobicContact CD2-CB 4.22Å; Y72-F76 AromaticContact CD2-CD1 3.87Å; Y72-F76 HydrophobicContact CD2-CD1 3.87Å; Y72-F76 HydrophobicContact CD2-CE1 4.49Å; Y72-F76 HydrophobicContact CD2-CG 4.09Å; Y72-F76 HydrophobicContact CE1-CD1 4.01Å; Y72-F76 HydrophobicContact CE1-CE1 4.44Å; Y72-F76 HydrophobicContact CE2-CB 4.46Å; Y72-F76 AromaticContact CE2-CD1 3.28Å; Y72-F76 HydrophobicContact CE2-CD1 3.28Å; Y72-F76 AromaticContact CE2-CE1 3.51Å; Y72-F76 HydrophobicContact CE2-CE1 3.51Å; Y72-F76 AromaticContact CE2-CG 3.87Å; Y72-F76 HydrophobicContact CE2-CG 3.87Å; Y72-F76 HydrophobicContact CE2-CZ 4.24Å; Y72-F76 HydrophobicContact CG-CD1 4.45Å; Y72-F76 AromaticContact CZ-CD1 3.35Å; Y72-F76 AromaticContact CZ-CE1 3.47Å; Y72-F76 VanDerWaalsContact CZ-CE1 3.47Å; Y72-F76 WeakPolarHBondContact O-CB 3.09Å; Y72-F76 WeakPolarHBondContact OH-CE1 3.35Å; Y72-I78 HydrophobicContact CE1-CB 4.21Å; Y72-I78 HydrophobicContact CE1-CD1 3.82Å; Y72-I78 HydrophobicContact CE1-CG1 4.38Å; Y72-I78 WeakPolarHBondContact OH-CD1 3.4Å; Y72-V409 HydrophobicContact CE2-CG2 4.13Å; Y72-V409 WeakPolarHBondContact OH-CA 3.4Å; Y72-V409 WeakPolarHBondContact OH-CG2 3.46Å
73	S	71.3	Confident	84.3	Confident	57 Å²	57	61.7 Å²	61.7	40%	0.399	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-20.9	179.8	76.3	0	0	0	0	115.3	T71	T71-S73 PolarHBondContact O-N 3.05Å; T71-S73 PolarHBondContact OG1-N 3Å; T71-S73 PolarHBondContact OG1-OG 3.01Å
74	T	82.4	Confident	83.8	Confident	81 Å²	81	69.3 Å²	69.3	50%	0.497	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-34.9	-171.6	52.7	0	0	0	0	113.2	H69 T71	H69-T74 PolarHBondContact O-OG1 3.47Å; T71-T74 PolarHBondContact N-OG1 2.91Å; T71-T74 PolarHBondContact O-N 3.47Å; T71-T74 VanDerWaalsContact O-N 3.08Å; T71-T74 PolarHBondContact O-OG1 2.87Å; T71-T74 PolarHBondContact OG1-N 3.18Å; T71-T74 PolarHBondContact OG1-OG1 3.16Å
75	C	89.5	Confident	83.3	Confident	4 Å²	4	66.6 Å²	66.6	3%	0.027	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-4.8	-174	-70.2	0	0	0	0	114.3	C70 T71 F205	C70-C75 WeakPolarHBondContact CA-SG 3.39Å; C70-C75 HydrophobicContact CB-CB 3.44Å; C70-C75 VanDerWaalsContact CB-CB 3.44Å; C70-C75 WeakPolarHBondContact CB-SG 3.49Å; C70-C75 WeakPolarHBondContact SG-CB 3.08Å; C70-C75 CovalentContact SG-SG 2.03Å; C70-C75 PolarHBondContact SG-SG 3.09Å; T71-C75 PolarHBondContact O-N 2.85Å; C75-F205 HydrophobicContact CB-CE2 3.75Å; C75-F205 HydrophobicContact CB-CZ 3.67Å
76	F	91.6	Very high	82.8	Confident	13 Å²	13	69.6 Å²	69.6	6%	0.057	36%	0.364	C	S	.	.			trans	-118.2	128.9	177.2	-174.1	-94.5	0	0	0	110.1	Y72 I78 C81 I135 N171 I190 F205 V409	Y72-F76 HydrophobicContact CD2-CB 4.22Å; Y72-F76 AromaticContact CD2-CD1 3.87Å; Y72-F76 HydrophobicContact CD2-CD1 3.87Å; Y72-F76 HydrophobicContact CD2-CE1 4.49Å; Y72-F76 HydrophobicContact CD2-CG 4.09Å; Y72-F76 HydrophobicContact CE1-CD1 4.01Å; Y72-F76 HydrophobicContact CE1-CE1 4.44Å; Y72-F76 HydrophobicContact CE2-CB 4.46Å; Y72-F76 AromaticContact CE2-CD1 3.28Å; Y72-F76 HydrophobicContact CE2-CD1 3.28Å; Y72-F76 AromaticContact CE2-CE1 3.51Å; Y72-F76 HydrophobicContact CE2-CE1 3.51Å; Y72-F76 AromaticContact CE2-CG 3.87Å; Y72-F76 HydrophobicContact CE2-CG 3.87Å; Y72-F76 HydrophobicContact CE2-CZ 4.24Å; Y72-F76 HydrophobicContact CG-CD1 4.45Å; Y72-F76 AromaticContact CZ-CD1 3.35Å; Y72-F76 AromaticContact CZ-CE1 3.47Å; Y72-F76 VanDerWaalsContact CZ-CE1 3.47Å; Y72-F76 WeakPolarHBondContact O-CB 3.09Å; Y72-F76 WeakPolarHBondContact OH-CE1 3.35Å; F76-I78 HydrophobicContact CD1-CB 4.44Å; F76-I78 HydrophobicContact CE1-CB 4.43Å; F76-I78 PolarHBondContact O-N 2.96Å; F76-C81 VanDerWaalsContact CZ-SG 3.56Å; F76-I135 HydrophobicContact CE2-CD1 4.24Å; F76-I135 HydrophobicContact CE2-CG1 4Å; F76-I135 HydrophobicContact CZ-CD1 4.42Å; F76-I135 HydrophobicContact CZ-CG1 4.18Å; F76-N171 HydrophobicContact CE2-CB 4.44Å; F76-I190 HydrophobicContact CD2-CD1 3.89Å; F76-I190 HydrophobicContact CE2-CD1 4.05Å; F76-F205 HydrophobicContact CB-CE2 4.09Å; F76-V409 HydrophobicContact CE1-CG2 4.16Å; F76-V409 HydrophobicContact CZ-CG2 4.18Å
77	N	90	Very high	82.3	Confident	68 Å²	68	72.3 Å²	72.3	36%	0.364	40%	0.398	S	S	.	.			trans	-94.4	97.1	176.9	-170.2	9.7	0	0	0	110.9	S79 N80 N171	N77-S79 VanDerWaalsContact CG-OG 3.29Å; N77-S79 PolarHBondContact ND2-OG 3.01Å; N77-S79 VanDerWaalsContact ND2-OG 3.09Å; N77-S79 PolarHBondContact O-N 3.45Å; N77-S79 PolarHBondContact OD1-N 2.75Å; N77-S79 PolarHBondContact OD1-OG 3.29Å; N77-N80 PolarHBondContact ND2-OD1 3.33Å; N77-N80 PolarHBondContact O-N 3.25Å; N77-N171 WeakPolarHBondContact CB-OD1 3.46Å; N77-N171 PolarHBondContact N-OD1 3.29Å; N77-N171 PolarHBondContact O-ND2 2.91Å
78	I	86	Confident	81.8	Confident	56 Å²	56	73.2 Å²	73.2	29%	0.287	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-65.2	-22.3	178.8	-171.9	164.5	0	0	0	113.4	Y72 F76 N80 C81 V82 A440	Y72-I78 HydrophobicContact CE1-CB 4.21Å; Y72-I78 HydrophobicContact CE1-CD1 3.82Å; Y72-I78 HydrophobicContact CE1-CG1 4.38Å; Y72-I78 WeakPolarHBondContact OH-CD1 3.4Å; F76-I78 HydrophobicContact CD1-CB 4.44Å; F76-I78 HydrophobicContact CE1-CB 4.43Å; F76-I78 PolarHBondContact O-N 2.96Å; I78-N80 PolarHBondContact O-N 3.1Å; I78-C81 WeakPolarHBondContact O-CA 3.48Å; I78-C81 WeakPolarHBondContact O-CB 3.18Å; I78-C81 PolarHBondContact O-N 3.04Å; I78-V82 HydrophobicContact CD1-CG2 4.1Å; I78-V82 HydrophobicContact CG1-CG2 3.63Å; I78-V82 PolarHBondContact O-N 3.29Å; I78-A440 HydrophobicContact CD1-CB 4.46Å
79	S	83.9	Confident	81.3	Confident	70 Å²	70	69.1 Å²	69.1	49%	0.49	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-62.3	-26.6	179	70	0	0	0	0	112.6	N77 C81 H83	N77-S79 VanDerWaalsContact CG-OG 3.29Å; N77-S79 PolarHBondContact ND2-OG 3.01Å; N77-S79 VanDerWaalsContact ND2-OG 3.09Å; N77-S79 PolarHBondContact O-N 3.45Å; N77-S79 PolarHBondContact OD1-N 2.75Å; N77-S79 PolarHBondContact OD1-OG 3.29Å; S79-C81 PolarHBondContact O-N 3.07Å; S79-H83 PolarHBondContact O-ND1 3.17Å
80	N	86.7	Confident	80.7	Confident	62 Å²	62	66.2 Å²	66.2	33%	0.332	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-69	-13.9	175.1	-64.3	4.3	0	0	0	112.3	N77 I78 H83 R94	N77-N80 PolarHBondContact ND2-OD1 3.33Å; N77-N80 PolarHBondContact O-N 3.25Å; I78-N80 PolarHBondContact O-N 3.1Å; N80-H83 PolarHBondContact O-CE1 2.86Å; N80-H83 PolarHBondContact O-ND1 3.23Å; N80-R94 PolarHBondContact O-NH2 2.92Å
81	C	86.9	Confident	80.5	Confident	7 Å²	7	69.1 Å²	69.1	5%	0.047	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-33.4	-175.9	-48.4	0	0	0	0	113	F76 I78 S79 H83 C134 V409	F76-C81 VanDerWaalsContact CZ-SG 3.56Å; I78-C81 WeakPolarHBondContact O-CA 3.48Å; I78-C81 WeakPolarHBondContact O-CB 3.18Å; I78-C81 PolarHBondContact O-N 3.04Å; S79-C81 PolarHBondContact O-N 3.07Å; C81-H83 PolarHBondContact O-N 2.66Å; C81-C134 HydrophobicContact CB-CB 3.69Å; C81-C134 WeakPolarHBondContact CB-SG 3.25Å; C81-C134 WeakPolarHBondContact SG-CB 3.19Å; C81-C134 CovalentContact SG-SG 2.02Å; C81-C134 PolarHBondContact SG-SG 3.23Å; C81-V409 HydrophobicContact CB-CG1 3.53Å
82	V	78.9	Confident	80.8	Confident	91 Å²	91	69.6 Å²	69.6	55%	0.552	39%	0.389	S	S	*	.	S	Bend	trans	-104.1	42.4	-168.8	-165.1	0	0	0	0	111.9	I78 F410	I78-V82 HydrophobicContact CD1-CG2 4.1Å; I78-V82 HydrophobicContact CG1-CG2 3.63Å; I78-V82 PolarHBondContact O-N 3.29Å; V82-F410 HydrophobicContact CG2-CE1 4.36Å
83	H	76.5	Confident	81.5	Confident	65 Å²	65	67.1 Å²	67.1	30%	0.301	38%	0.38	S	S	.	.			trans	-118.5	132.6	172.9	60.6	-94.1	0	0	0	111	S79 N80 C81 M85 R94	S79-H83 PolarHBondContact O-ND1 3.17Å; N80-H83 PolarHBondContact O-CE1 2.86Å; N80-H83 PolarHBondContact O-ND1 3.23Å; C81-H83 PolarHBondContact O-N 2.66Å; H83-M85 WeakPolarHBondContact NE2-CE 3.45Å; H83-R94 PolarHBondContact CD2-NH2 3.02Å; H83-R94 VanDerWaalsContact CD2-NH2 3.34Å; H83-R94 PolarHBondContact CE1-NH2 2.87Å; H83-R94 PolarHBondContact ND1-NH2 2.97Å; H83-R94 PolarHBondContact NE2-NH2 3.49Å; H83-R94 PolarHBondContact O-NH1 2.99Å; H83-R94 PolarHBondContact O-NH2 2.87Å
84	E	74.1	Confident	82.6	Confident	164 Å²	164	65.3 Å²	65.3	77%	0.766	36%	0.364	S	S	*	.			trans	-64.9	133	-178.3	-178.4	168.2	-164.4	0	0	110.7	L90	E84-L90 HydrophobicContact CB-CD2 4.11Å; E84-L90 HydrophobicContact CG-CD2 4.04Å
85	M	75	Confident	83.3	Confident	46 Å²	46	61.4 Å²	61.4	23%	0.227	34%	0.34	C	S	.	.			trans	-132.2	130.8	174.6	-77	-178	169.1	0	0	108.8	H83 G87 K88 R94 E132	H83-M85 WeakPolarHBondContact NE2-CE 3.45Å; M85-G87 PolarHBondContact O-N 3.41Å; M85-K88 HydrophobicContact CB-CB 4.12Å; M85-K88 HydrophobicContact CB-CG 4Å; M85-K88 PolarHBondContact O-N 2.95Å; M85-K88 VanDerWaalsContact O-N 3.12Å; M85-R94 VanDerWaalsContact CG-NH1 3.29Å; M85-R94 VanDerWaalsContact SD-CZ 3.55Å; M85-R94 PolarHBondContact SD-NH1 3.11Å; M85-E132 HydrophobicContact CE-CB 4Å; M85-E132 HydrophobicContact CE-CG 3.81Å; M85-E132 HydrophobicContact SD-CB 3.87Å; M85-E132 HydrophobicContact SD-CG 3.71Å
86	I	77.3	Confident	83.6	Confident	180 Å²	180	63.1 Å²	63.1	92%	0.923	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	126.9	-176.8	-59.3	171.1	0	0	0	109.3	K88	I86-K88 VanDerWaalsContact C-N 3.31Å; I86-K88 PolarHBondContact O-N 3.13Å
87	G	77.6	Confident	83.8	Confident	82 Å²	82	62.8 Å²	62.8	85%	0.845	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	5	178.1	0	0	0	0	0	115.5	M85	M85-G87 PolarHBondContact O-N 3.41Å
88	K	77.7	Confident	83.9	Confident	85 Å²	85	60.3 Å²	60.3	37%	0.37	33%	0.33	S	S	.	.	S	Bend	trans	-107.6	151.3	174.9	-59.7	-66.2	-172	170	0	110.9	M85 I86 E132	M85-K88 HydrophobicContact CB-CB 4.12Å; M85-K88 HydrophobicContact CB-CG 4Å; M85-K88 PolarHBondContact O-N 2.95Å; M85-K88 VanDerWaalsContact O-N 3.12Å; I86-K88 VanDerWaalsContact C-N 3.31Å; I86-K88 PolarHBondContact O-N 3.13Å; K88-E132 WeakPolarHBondContact CE-OE2 3.35Å; K88-E132 IonicContact NZ-OE2 3.9Å
89	S	74.7	Confident	83.9	Confident	59 Å²	59	61.4 Å²	61.4	41%	0.413	34%	0.342	S	S	.	.			trans	-69.4	134.5	176.5	179.7	0	0	0	0	110.8	H91 H92	S89-H91 PolarHBondContact O-N 3.24Å; S89-H91 PolarHBondContact OG-N 3.21Å; S89-H92 WeakPolarHBondContact CB-ND1 3.38Å; S89-H92 PolarHBondContact OG-ND1 2.94Å
90	L	73.4	Confident	83.9	Confident	94 Å²	94	60.6 Å²	60.6	49%	0.492	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	0.7	176.7	-69.2	170.1	0	0	0	113.7	E84	E84-L90 HydrophobicContact CB-CD2 4.11Å; E84-L90 HydrophobicContact CG-CD2 4.04Å
91	H	78.6	Confident	83	Confident	67 Å²	67	61.6 Å²	61.6	31%	0.31	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.4	5.7	-167	-47.8	-30.5	0	0	0	112.8	S89 N406 Y413	S89-H91 PolarHBondContact O-N 3.24Å; S89-H91 PolarHBondContact OG-N 3.21Å; H91-N406 PolarHBondContact O-ND2 3.34Å; H91-N406 PolarHBondContact O-OD1 3.42Å; H91-Y413 HydrophobicContact CB-CD2 3.64Å; H91-Y413 HydrophobicContact CB-CE2 4Å; H91-Y413 HydrophobicContact CB-CG 4Å; H91-Y413 AromaticContact CD2-CZ 3.98Å; H91-Y413 AromaticContact CE1-CE2 3.45Å; H91-Y413 VanDerWaalsContact CE1-CE2 3.45Å; H91-Y413 WeakPolarHBondContact CE1-CE2 3.36Å; H91-Y413 AromaticContact CE1-CZ 3.26Å; H91-Y413 PolarHBondContact CE1-OH 2.76Å; H91-Y413 AromaticContact CG-CD2 3.62Å; H91-Y413 AromaticContact CG-CE2 3.45Å; H91-Y413 VanDerWaalsContact CG-CE2 3.45Å; H91-Y413 AromaticContact CG-CZ 3.72Å; H91-Y413 AromaticContact ND1-CD2 3.55Å; H91-Y413 AromaticContact ND1-CE2 2.92Å; H91-Y413 WeakPolarHBondContact ND1-CE2 3.3Å; H91-Y413 AromaticContact ND1-CZ 3.26Å; H91-Y413 VanDerWaalsContact ND1-CZ 3.26Å; H91-Y413 AromaticContact NE2-CZ 3.74Å
92	H	87.4	Confident	81.5	Confident	57 Å²	57	68 Å²	68	26%	0.264	37%	0.37	S	S	.	.	S	Bend	trans	-125.9	135.5	-178.6	-63.6	111.5	0	0	0	110.2	S89 K124 Y125 N406 F410	S89-H92 WeakPolarHBondContact CB-ND1 3.38Å; S89-H92 PolarHBondContact OG-ND1 2.94Å; H92-K124 PolarHBondContact CD2-NZ 2.8Å; H92-K124 PolarHBondContact NE2-NZ 2.88Å; H92-Y125 HydrophobicContact CB-CD1 4.15Å; H92-Y125 HydrophobicContact CB-CE1 4.17Å; H92-Y125 AromaticContact CD2-CE1 3.86Å; H92-N406 VanDerWaalsContact CA-OD1 3.23Å; H92-N406 WeakPolarHBondContact CA-OD1 3.44Å; H92-F410 VanDerWaalsContact C-CE2 3.5Å
93	I	92.7	Very high	80.1	Confident	2 Å²	2	65.5 Å²	65.5	1%	0.01	36%	0.357	C	S	.	.			trans	-64.2	149.5	170.2	56.9	173.5	0	0	0	110.2	I95 Y125 C134 I135 L405 N406 V409 F410	I93-I95 HydrophobicContact CD1-CD1 3.8Å; I93-I95 HydrophobicContact CD1-CG1 4.14Å; I93-I95 HydrophobicContact CG1-CD1 4.29Å; I93-I95 HydrophobicContact CG1-CG1 4.27Å; I93-Y125 HydrophobicContact CD1-CD1 4.42Å; I93-Y125 HydrophobicContact CG1-CD1 3.46Å; I93-Y125 VanDerWaalsContact CG1-CD1 3.46Å; I93-Y125 HydrophobicContact CG1-CE1 3.86Å; I93-Y125 HydrophobicContact CG1-CG 4.09Å; I93-Y125 WeakPolarHBondContact O-CD1 3.26Å; I93-C134 HydrophobicContact CB-CB 4.48Å; I93-I135 HydrophobicContact CD1-CD1 4.1Å; I93-L405 HydrophobicContact CD1-CB 3.72Å; I93-N406 HydrophobicContact CD1-CB 4.35Å; I93-N406 HydrophobicContact CG1-CB 4.2Å; I93-N406 PolarHBondContact N-OD1 2.74Å; I93-V409 HydrophobicContact CG2-CB 3.66Å; I93-V409 HydrophobicContact CG2-CG1 3.84Å; I93-V409 HydrophobicContact CG2-CG2 3.72Å; I93-F410 HydrophobicContact CG2-CD2 4.15Å; I93-F410 HydrophobicContact CG2-CE2 3.7Å
94	R	94.1	Very high	78.8	Confident	18 Å²	18	69.1 Å²	69.1	7%	0.068	38%	0.378	C	S	.	.			trans	-105.3	126.1	175.6	-66.5	175.3	-60	-132.2	-9.2	108.8	N80 H83 M85 Y125 V127 E132 C134 I135	N80-R94 PolarHBondContact O-NH2 2.92Å; H83-R94 PolarHBondContact CD2-NH2 3.02Å; H83-R94 VanDerWaalsContact CD2-NH2 3.34Å; H83-R94 PolarHBondContact CE1-NH2 2.87Å; H83-R94 PolarHBondContact ND1-NH2 2.97Å; H83-R94 PolarHBondContact NE2-NH2 3.49Å; H83-R94 PolarHBondContact O-NH1 2.99Å; H83-R94 PolarHBondContact O-NH2 2.87Å; M85-R94 VanDerWaalsContact CG-NH1 3.29Å; M85-R94 VanDerWaalsContact SD-CZ 3.55Å; M85-R94 PolarHBondContact SD-NH1 3.11Å; R94-Y125 CarbonylContact C-O 3.56Å; R94-Y125 WeakPolarHBondContact CA-O 3.34Å; R94-V127 HydrophobicContact CB-CG1 3.71Å; R94-V127 HydrophobicContact CB-CG2 4.08Å; R94-V127 HydrophobicContact CG-CG1 3.79Å; R94-E132 WeakPolarHBondContact CB-O 3.37Å; R94-E132 WeakPolarHBondContact CD-O 3.32Å; R94-E132 PolarHBondContact NE-O 3.45Å; R94-C134 WeakPolarHBondContact O-CA 3.37Å; R94-C134 VanDerWaalsContact O-CB 3.31Å; R94-C134 WeakPolarHBondContact O-CB 3.39Å; R94-C134 PolarHBondContact O-N 2.84Å; R94-I135 PolarHBondContact O-N 3.25Å; R94-I135 VanDerWaalsContact O-N 3.09Å
95	I	96.6	Very high	77.8	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.6	-174.4	-57.6	-176.9	0	0	0	109.5	I93 V120 Y125 Y126 V127 I135 I137 L402	I93-I95 HydrophobicContact CD1-CD1 3.8Å; I93-I95 HydrophobicContact CD1-CG1 4.14Å; I93-I95 HydrophobicContact CG1-CD1 4.29Å; I93-I95 HydrophobicContact CG1-CG1 4.27Å; I95-V120 HydrophobicContact CG2-CG1 4.02Å; I95-Y125 HydrophobicContact CD1-CG 4.42Å; I95-Y125 PolarHBondContact N-O 3.21Å; I95-Y126 WeakPolarHBondContact O-CA 3.25Å; I95-V127 PolarHBondContact O-N 3.27Å; I95-I135 VanDerWaalsContact CA-O 3.3Å; I95-I135 WeakPolarHBondContact CA-O 3.5Å; I95-I135 HydrophobicContact CG1-CB 4.31Å; I95-I137 HydrophobicContact CG2-CD1 3.68Å; I95-I137 HydrophobicContact CG2-CG1 3.95Å; I95-L402 HydrophobicContact CD1-CB 4.42Å; I95-L402 HydrophobicContact CD1-CD1 3.9Å; I95-L402 HydrophobicContact CD1-CD2 3.37Å; I95-L402 HydrophobicContact CD1-CG 4.05Å
96	Y	96.3	Very high	77	Confident	40 Å²	40	61.9 Å²	61.9	16%	0.157	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	135.9	171.1	178.5	-96.5	0	0	0	109.9	Y98 I130 A133 I135 I136 I137	Y96-Y98 HydrophobicContact CE1-CD1 4.15Å; Y96-Y98 HydrophobicContact CE1-CG 4.34Å; Y96-I130 HydrophobicContact CD1-CB 3.92Å; Y96-I130 HydrophobicContact CD1-CD1 3.9Å; Y96-I130 HydrophobicContact CD1-CG1 3.73Å; Y96-I130 HydrophobicContact CD2-CB 4.23Å; Y96-I130 HydrophobicContact CE1-CB 3.97Å; Y96-I130 HydrophobicContact CE1-CD1 3.83Å; Y96-I130 HydrophobicContact CE1-CG1 4.02Å; Y96-I130 HydrophobicContact CE2-CB 4.28Å; Y96-I130 HydrophobicContact CG-CB 4.05Å; Y96-I130 HydrophobicContact CG-CG1 4.17Å; Y96-A133 VanDerWaalsContact CB-CB 3.49Å; Y96-I135 PolarHBondContact N-O 3.48Å; Y96-I136 HydrophobicContact CD1-CG2 4.15Å; Y96-I136 CarbonylContact O-C 3.42Å; Y96-I136 WeakPolarHBondContact O-CA 3.25Å; Y96-I137 PolarHBondContact O-N 2.93Å
97	M	94.9	Very high	76.1	Confident	5 Å²	5	58.2 Å²	58.2	3%	0.025	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.4	173.5	-178.1	69.7	77.6	0	0	107.7	L116 Y117 V120 L121 I137	M97-L116 HydrophobicContact CE-CD2 3.85Å; M97-Y117 HydrophobicContact CB-CE2 4.44Å; M97-Y117 HydrophobicContact CE-CD2 4.25Å; M97-Y117 HydrophobicContact CG-CD2 3.54Å; M97-Y117 HydrophobicContact CG-CE2 3.31Å; M97-Y117 HydrophobicContact SD-CD2 4.05Å; M97-Y117 HydrophobicContact SD-CE2 4.32Å; M97-V120 HydrophobicContact CB-CG1 4.43Å; M97-V120 HydrophobicContact CE-CB 3.7Å; M97-V120 HydrophobicContact CE-CG1 3.92Å; M97-V120 HydrophobicContact CE-CG2 3.62Å; M97-L121 HydrophobicContact CB-CD2 4.49Å; M97-I137 HydrophobicContact CE-CB 3.83Å; M97-I137 HydrophobicContact CE-CD1 4.09Å; M97-I137 HydrophobicContact CE-CG2 3.6Å; M97-I137 HydrophobicContact SD-CB 3.57Å; M97-I137 VanDerWaalsContact SD-CB 3.57Å; M97-I137 HydrophobicContact SD-CG2 3.48Å; M97-I137 WeakPolarHBondContact SD-CG2 3.49Å
98	Y	91.7	Very high	75.7	Confident	16 Å²	16	55 Å²	55	6%	0.063	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-59.9	136.4	172.6	-80	-79.9	0	0	0	109.7	Y96 I130 I136 I137 L163 S165 H172	Y96-Y98 HydrophobicContact CE1-CD1 4.15Å; Y96-Y98 HydrophobicContact CE1-CG 4.34Å; Y98-I130 HydrophobicContact CE1-CD1 4.04Å; Y98-I136 HydrophobicContact CD2-CG2 3.54Å; Y98-I136 HydrophobicContact CE2-CG2 3.17Å; Y98-I137 PolarHBondContact N-O 2.73Å; Y98-L163 HydrophobicContact CD1-CD2 4.12Å; Y98-L163 HydrophobicContact CD2-CD1 4.11Å; Y98-L163 HydrophobicContact CD2-CD2 4.41Å; Y98-L163 HydrophobicContact CE1-CB 4.39Å; Y98-L163 HydrophobicContact CE1-CD2 4.17Å; Y98-L163 HydrophobicContact CE2-CB 4.25Å; Y98-L163 HydrophobicContact CE2-CD1 3.86Å; Y98-L163 HydrophobicContact CE2-CD2 4.39Å; Y98-L163 HydrophobicContact CE2-CG 4.42Å; Y98-L163 HydrophobicContact CG-CD2 4.24Å; Y98-S165 WeakPolarHBondContact OH-CB 3.27Å; Y98-S165 PolarHBondContact OH-N 2.82Å; Y98-S165 VanDerWaalsContact OH-N 3.12Å; Y98-H172 AromaticContact CE2-NE2 3.81Å
99	P	87.7	Confident	75.9	Confident	80 Å²	80	53 Å²	53	52%	0.519	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-62.1	144	180	26.6	-34.3	0	0	0	110.2	N101	P99-N101 PolarHBondContact O-N 3.42Å
100	L	82.9	Confident	76.3	Confident	53 Å²	53	50.5 Å²	50.5	28%	0.277	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-63.9	119.1	173.7	-55.6	-179.1	0	0	0	108.6	F109 F113 Y117	L100-F109 HydrophobicContact CB-CE2 4.2Å; L100-F109 HydrophobicContact CB-CZ 4.09Å; L100-F109 HydrophobicContact CD1-CD2 4.44Å; L100-F109 HydrophobicContact CD1-CE2 4.21Å; L100-F109 HydrophobicContact CD1-CZ 4.46Å; L100-F109 HydrophobicContact CD2-CE1 3.97Å; L100-F109 HydrophobicContact CD2-CE2 4.45Å; L100-F109 HydrophobicContact CD2-CZ 3.89Å; L100-F109 HydrophobicContact CG-CZ 4.35Å; L100-F113 HydrophobicContact CD2-CE1 3.7Å; L100-F113 HydrophobicContact CD2-CZ 4.22Å; L100-Y117 HydrophobicContact CD1-CD1 4.28Å; L100-Y117 HydrophobicContact CD1-CD2 4.34Å; L100-Y117 HydrophobicContact CD1-CE1 4.15Å; L100-Y117 HydrophobicContact CD1-CE2 4.22Å; L100-Y117 HydrophobicContact CD1-CG 4.38Å; L100-Y117 HydrophobicContact CD2-CD2 3.72Å; L100-Y117 HydrophobicContact CD2-CE2 3.6Å; L100-Y117 HydrophobicContact CD2-CG 4.47Å; L100-Y117 HydrophobicContact CG-CD2 4.06Å; L100-Y117 HydrophobicContact CG-CE1 4.28Å; L100-Y117 HydrophobicContact CG-CE2 3.62Å
101	N	67.2	Low	77	Confident	83 Å²	83	52.9 Å²	52.9	44%	0.444	28%	0.279	S	S	.	.			trans	-91.4	112.1	177.5	-155.9	-2	0	0	0	108.3	P99 S103	P99-N101 PolarHBondContact O-N 3.42Å; N101-S103 PolarHBondContact O-N 2.81Å; N101-S103 PolarHBondContact O-OG 3.3Å
102	N	55.3	Low	77.5	Confident	140 Å²	140	50.3 Å²	50.3	75%	0.749	27%	0.268	S	S	*	.			trans	-69.4	15.3	172.9	-78.5	-1.9	0	0	0	112.9	L104	N102-L104 PolarHBondContact O-N 2.58Å
103	S	50.7	Low	77.7	Confident	40 Å²	40	47.9 Å²	47.9	28%	0.28	26%	0.256	S	S	.	.			trans	-49.6	134.3	167.2	54.9	0	0	0	0	109.1	N101 M105 F106	N101-S103 PolarHBondContact O-N 2.81Å; N101-S103 PolarHBondContact O-OG 3.3Å; S103-M105 PolarHBondContact O-N 2.93Å; S103-F106 PolarHBondContact O-N 3.01Å
104	L	49	Very low	77.7	Confident	141 Å²	141	51.3 Å²	51.3	74%	0.738	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-42.9	-21.5	-179.8	-72.5	153.7	0	0	0	114.6	N102 F106	N102-L104 PolarHBondContact O-N 2.58Å; L104-F106 PolarHBondContact O-N 3.32Å
105	M	52.6	Low	77.7	Confident	39 Å²	39	52.6 Å²	52.6	19%	0.192	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-63.3	-30.9	179.1	-137.8	175.4	-169.2	0	0	114.6	Y60 S103 M152 L155	Y60-M105 HydrophobicContact CE2-CE 4.39Å; S103-M105 PolarHBondContact O-N 2.93Å; M105-M152 WeakPolarHBondContact O-CE 3.35Å; M105-L155 HydrophobicContact CE-CB 4.35Å; M105-L155 HydrophobicContact CE-CD1 4.47Å; M105-L155 HydrophobicContact CE-CD2 3.96Å; M105-L155 HydrophobicContact CE-CG 4.49Å
106	F	58.9	Low	77.6	Confident	19 Å²	19	52.7 Å²	52.7	8%	0.083	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-138.3	66.2	-173.7	-54.3	-67.1	0	0	0	111.7	S103 L104 G108 L140 M152 S156 Y159	S103-F106 PolarHBondContact O-N 3.01Å; L104-F106 PolarHBondContact O-N 3.32Å; F106-G108 VanDerWaalsContact C-N 3.3Å; F106-G108 PolarHBondContact O-N 3.05Å; F106-L140 HydrophobicContact CD1-CD2 4.48Å; F106-L140 HydrophobicContact CD2-CD2 4.03Å; F106-L140 HydrophobicContact CE1-CD2 4.21Å; F106-L140 HydrophobicContact CE2-CD2 3.73Å; F106-L140 HydrophobicContact CG-CD2 4.41Å; F106-L140 HydrophobicContact CZ-CD2 3.83Å; F106-M152 HydrophobicContact CD1-CE 4.06Å; F106-M152 HydrophobicContact CE1-CE 4.45Å; F106-S156 WeakPolarHBondContact CE1-OG 3.44Å; F106-Y159 HydrophobicContact CE2-CD1 4.2Å; F106-Y159 HydrophobicContact CE2-CD2 4.31Å; F106-Y159 HydrophobicContact CE2-CG 4.04Å; F106-Y159 HydrophobicContact CZ-CG 4.35Å
107	T	57.9	Low	77.6	Confident	102 Å²	102	52.5 Å²	52.5	63%	0.626	29%	0.285	S	S	*	.			trans	-84.6	1.2	-175.2	51.3	0	0	0	0	114.5
108	G	70.3	Confident	77.6	Confident	15 Å²	15	56.5 Å²	56.5	16%	0.155	31%	0.307	C	S	.	.			trans	-136.2	89.2	-169.2	0	0	0	0	0	114.3	F106 Y146	F106-G108 VanDerWaalsContact C-N 3.3Å; F106-G108 PolarHBondContact O-N 3.05Å; G108-Y146 PolarHBondContact O-OH 2.93Å
109	F	80.6	Confident	77.9	Confident	43 Å²	43	56 Å²	56	19%	0.189	31%	0.306	C	S	.	.			trans	-87.9	136	172.4	-60.6	-73.4	0	0	0	110.9	L100 F113 I114 D141	L100-F109 HydrophobicContact CB-CE2 4.2Å; L100-F109 HydrophobicContact CB-CZ 4.09Å; L100-F109 HydrophobicContact CD1-CD2 4.44Å; L100-F109 HydrophobicContact CD1-CE2 4.21Å; L100-F109 HydrophobicContact CD1-CZ 4.46Å; L100-F109 HydrophobicContact CD2-CE1 3.97Å; L100-F109 HydrophobicContact CD2-CE2 4.45Å; L100-F109 HydrophobicContact CD2-CZ 3.89Å; L100-F109 HydrophobicContact CG-CZ 4.35Å; F109-F113 HydrophobicContact CB-CD1 4.04Å; F109-F113 AromaticContact CD1-CD1 3.38Å; F109-F113 HydrophobicContact CD1-CD1 3.38Å; F109-F113 AromaticContact CD1-CE1 3.42Å; F109-F113 HydrophobicContact CD1-CE1 3.42Å; F109-F113 VanDerWaalsContact CD1-CE1 3.42Å; F109-F113 HydrophobicContact CD1-CG 4.44Å; F109-F113 HydrophobicContact CE1-CD1 4.16Å; F109-F113 AromaticContact CE1-CE1 3.72Å; F109-F113 HydrophobicContact CE1-CE1 3.72Å; F109-F113 AromaticContact CG-CD1 3.99Å; F109-F113 HydrophobicContact CG-CD1 3.99Å; F109-F113 HydrophobicContact CG-CE1 4.29Å; F109-I114 HydrophobicContact CB-CD1 4.29Å; F109-I114 HydrophobicContact CB-CG1 4Å; F109-D141 HydrophobicContact CD1-CB 4.15Å
110	S	84.1	Confident	78.4	Confident	6 Å²	6	52.2 Å²	52.2	4%	0.042	28%	0.281	C	S	.	.			trans	-66.4	153.3	172	68.1	0	0	0	0	111.2	Q112 F113 I114 D141	S110-Q112 PolarHBondContact O-N 2.92Å; S110-F113 PolarHBondContact O-N 3.22Å; S110-F113 VanDerWaalsContact O-N 3.12Å; S110-F113 WeakPolarHBondContact OG-CB 3.48Å; S110-F113 PolarHBondContact OG-N 3.36Å; S110-I114 WeakPolarHBondContact O-CG1 3.34Å; S110-I114 PolarHBondContact O-N 3.01Å; S110-D141 WeakPolarHBondContact CB-OD2 3.48Å; S110-D141 PolarHBondContact N-OD2 3.01Å; S110-D141 PolarHBondContact OG-OD2 3.08Å
111	Q	87.4	Confident	79.1	Confident	144 Å²	144	52.2 Å²	52.2	67%	0.673	28%	0.281	S	S	*	.	H	α-helix	trans	-58.3	-33.1	174	-69.3	-177.2	-14	0	0	111.7	I114 S115	Q111-I114 PolarHBondContact O-N 3.22Å; Q111-S115 WeakPolarHBondContact O-CB 3.33Å; Q111-S115 PolarHBondContact O-N 3.39Å
112	Q	90.1	Very high	80.5	Confident	14 Å²	14	52.9 Å²	52.9	7%	0.065	29%	0.292	C	S	.	.	H	α-helix	trans	-67.1	-42.3	177.7	-63.8	74.6	14.2	0	0	110.8	S110 S115 L116 L143 Y144 F212 I394	S110-Q112 PolarHBondContact O-N 2.92Å; Q112-S115 WeakPolarHBondContact O-CB 3.45Å; Q112-S115 PolarHBondContact O-N 3.16Å; Q112-L116 PolarHBondContact O-N 3.46Å; Q112-L143 HydrophobicContact CB-CD1 3.83Å; Q112-Y144 HydrophobicContact CB-CE2 3.93Å; Q112-Y144 HydrophobicContact CG-CE2 3.87Å; Q112-F212 HydrophobicContact CG-CD1 4.37Å; Q112-F212 HydrophobicContact CG-CE1 4.21Å; Q112-I394 HydrophobicContact CB-CD1 4.38Å; Q112-I394 HydrophobicContact CB-CG1 4.3Å
113	F	90.8	Very high	82.5	Confident	5 Å²	5	46.9 Å²	46.9	2%	0.022	26%	0.261	C	S	.	.	H	α-helix	trans	-68.6	-39.9	175.7	-178.4	-99.5	0	0	0	112.3	L100 F109 S110 S115 L116 Y117 L140 D141 L143	L100-F113 HydrophobicContact CD2-CE1 3.7Å; L100-F113 HydrophobicContact CD2-CZ 4.22Å; F109-F113 HydrophobicContact CB-CD1 4.04Å; F109-F113 AromaticContact CD1-CD1 3.38Å; F109-F113 HydrophobicContact CD1-CD1 3.38Å; F109-F113 AromaticContact CD1-CE1 3.42Å; F109-F113 HydrophobicContact CD1-CE1 3.42Å; F109-F113 VanDerWaalsContact CD1-CE1 3.42Å; F109-F113 HydrophobicContact CD1-CG 4.44Å; F109-F113 HydrophobicContact CE1-CD1 4.16Å; F109-F113 AromaticContact CE1-CE1 3.72Å; F109-F113 HydrophobicContact CE1-CE1 3.72Å; F109-F113 AromaticContact CG-CD1 3.99Å; F109-F113 HydrophobicContact CG-CD1 3.99Å; F109-F113 HydrophobicContact CG-CE1 4.29Å; S110-F113 PolarHBondContact O-N 3.22Å; S110-F113 VanDerWaalsContact O-N 3.12Å; S110-F113 WeakPolarHBondContact OG-CB 3.48Å; S110-F113 PolarHBondContact OG-N 3.36Å; F113-S115 VanDerWaalsContact C-N 3.27Å; F113-S115 PolarHBondContact O-N 2.93Å; F113-L116 HydrophobicContact CE2-CD2 4.4Å; F113-L116 WeakPolarHBondContact O-CB 3.41Å; F113-L116 PolarHBondContact O-N 2.94Å; F113-Y117 WeakPolarHBondContact O-CB 3.34Å; F113-Y117 PolarHBondContact O-N 3.37Å; F113-L140 VanDerWaalsContact CE2-C 3.45Å; F113-L140 WeakPolarHBondContact CE2-O 3.46Å; F113-D141 HydrophobicContact CB-CB 4.01Å; F113-D141 VanDerWaalsContact CB-OD2 3.22Å; F113-D141 WeakPolarHBondContact CB-OD2 3.3Å; F113-D141 HydrophobicContact CD1-CB 4.1Å; F113-D141 HydrophobicContact CD2-CB 4.04Å; F113-D141 HydrophobicContact CG-CB 3.76Å; F113-L143 HydrophobicContact CB-CD1 3.91Å; F113-L143 HydrophobicContact CD2-CD1 4.47Å; F113-L143 HydrophobicContact CD2-CG 4.43Å
114	I	92	Very high	84.5	Confident	75 Å²	75	50.8 Å²	50.8	39%	0.385	27%	0.273	S	S	.	.	H	α-helix	trans	-60.1	-41.4	172.8	-66	169.3	0	0	0	110.4	F109 S110 Q111 Y117 N118	F109-I114 HydrophobicContact CB-CD1 4.29Å; F109-I114 HydrophobicContact CB-CG1 4Å; S110-I114 WeakPolarHBondContact O-CG1 3.34Å; S110-I114 PolarHBondContact O-N 3.01Å; Q111-I114 PolarHBondContact O-N 3.22Å; I114-Y117 PolarHBondContact O-N 2.81Å; I114-N118 WeakPolarHBondContact O-CB 3.2Å; I114-N118 VanDerWaalsContact O-CG 3.3Å; I114-N118 PolarHBondContact O-N 3.36Å; I114-N118 PolarHBondContact O-ND2 2.98Å
115	S	94.7	Very high	86.7	Confident	44 Å²	44	44.1 Å²	44.1	31%	0.308	24%	0.238	S	C	.	.	H	α-helix	trans	-62	-44.2	174.9	-179.3	0	0	0	0	111.9	Q111 Q112 F113 T119	Q111-S115 WeakPolarHBondContact O-CB 3.33Å; Q111-S115 PolarHBondContact O-N 3.39Å; Q112-S115 WeakPolarHBondContact O-CB 3.45Å; Q112-S115 PolarHBondContact O-N 3.16Å; F113-S115 VanDerWaalsContact C-N 3.27Å; F113-S115 PolarHBondContact O-N 2.93Å; S115-T119 WeakPolarHBondContact O-CB 3.37Å; S115-T119 PolarHBondContact O-N 3.48Å; S115-T119 PolarHBondContact O-OG1 3.28Å
116	L	95.5	Very high	88.8	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-58.8	-50.8	173.8	175.6	165.5	0	0	0	111.1	M97 Q112 F113 N118 T119 V120 L143 I175 I394 I398	M97-L116 HydrophobicContact CE-CD2 3.85Å; Q112-L116 PolarHBondContact O-N 3.46Å; F113-L116 HydrophobicContact CE2-CD2 4.4Å; F113-L116 WeakPolarHBondContact O-CB 3.41Å; F113-L116 PolarHBondContact O-N 2.94Å; L116-N118 PolarHBondContact O-N 3.05Å; L116-T119 WeakPolarHBondContact O-CB 3.39Å; L116-T119 PolarHBondContact O-N 3.39Å; L116-T119 VanDerWaalsContact O-N 3.16Å; L116-V120 HydrophobicContact CD2-CG2 4.36Å; L116-V120 PolarHBondContact O-N 2.87Å; L116-L143 HydrophobicContact CD1-CD1 4.33Å; L116-L143 HydrophobicContact CD1-CD2 3.8Å; L116-L143 HydrophobicContact CD1-CG 4.46Å; L116-I175 HydrophobicContact CD1-CB 4.11Å; L116-I175 HydrophobicContact CD1-CD1 3.95Å; L116-I175 HydrophobicContact CD1-CG2 3.75Å; L116-I175 HydrophobicContact CD2-CD1 4.46Å; L116-I175 HydrophobicContact CG-CD1 4.43Å; L116-I394 HydrophobicContact CB-CG2 3.89Å; L116-I398 HydrophobicContact CB-CD1 4.42Å; L116-I398 HydrophobicContact CB-CG1 4.22Å; L116-I398 HydrophobicContact CD1-CD1 3.65Å; L116-I398 HydrophobicContact CD1-CG1 4.34Å; L116-I398 HydrophobicContact CG-CD1 3.67Å; L116-I398 HydrophobicContact CG-CG1 3.89Å
117	Y	95	Very high	90.5	Very high	36 Å²	36	45.4 Å²	45.4	14%	0.141	24%	0.241	C	C	.	.	H	α-helix	trans	-57.8	-50.7	-178.2	-175.9	-92.9	0	0	0	111.1	M97 L100 F113 I114 T119 V120 L121	M97-Y117 HydrophobicContact CB-CE2 4.44Å; M97-Y117 HydrophobicContact CE-CD2 4.25Å; M97-Y117 HydrophobicContact CG-CD2 3.54Å; M97-Y117 HydrophobicContact CG-CE2 3.31Å; M97-Y117 HydrophobicContact SD-CD2 4.05Å; M97-Y117 HydrophobicContact SD-CE2 4.32Å; L100-Y117 HydrophobicContact CD1-CD1 4.28Å; L100-Y117 HydrophobicContact CD1-CD2 4.34Å; L100-Y117 HydrophobicContact CD1-CE1 4.15Å; L100-Y117 HydrophobicContact CD1-CE2 4.22Å; L100-Y117 HydrophobicContact CD1-CG 4.38Å; L100-Y117 HydrophobicContact CD2-CD2 3.72Å; L100-Y117 HydrophobicContact CD2-CE2 3.6Å; L100-Y117 HydrophobicContact CD2-CG 4.47Å; L100-Y117 HydrophobicContact CG-CD2 4.06Å; L100-Y117 HydrophobicContact CG-CE1 4.28Å; L100-Y117 HydrophobicContact CG-CE2 3.62Å; F113-Y117 WeakPolarHBondContact O-CB 3.34Å; F113-Y117 PolarHBondContact O-N 3.37Å; I114-Y117 PolarHBondContact O-N 2.81Å; Y117-T119 VanDerWaalsContact C-N 3.31Å; Y117-T119 PolarHBondContact O-N 3.31Å; Y117-V120 PolarHBondContact O-N 2.96Å; Y117-L121 HydrophobicContact CD1-CD1 3.79Å; Y117-L121 HydrophobicContact CD1-CG 4.28Å; Y117-L121 HydrophobicContact CE1-CD1 3.27Å; Y117-L121 HydrophobicContact CE1-CG 4.02Å; Y117-L121 WeakPolarHBondContact O-CG 3.49Å; Y117-L121 PolarHBondContact O-N 3.11Å
118	N	96.4	Very high	92.1	Very high	89 Å²	89	45 Å²	45	48%	0.476	24%	0.235	S	C	.	.	H	α-helix	trans	-63.9	-35.5	177.5	-71	-22	0	0	0	112.6	I114 L116 L121 S122	I114-N118 WeakPolarHBondContact O-CB 3.2Å; I114-N118 VanDerWaalsContact O-CG 3.3Å; I114-N118 PolarHBondContact O-N 3.36Å; I114-N118 PolarHBondContact O-ND2 2.98Å; L116-N118 PolarHBondContact O-N 3.05Å; N118-L121 PolarHBondContact O-N 3.5Å; N118-S122 WeakPolarHBondContact O-CB 3.42Å; N118-S122 PolarHBondContact O-N 2.54Å; N118-S122 PolarHBondContact O-OG 3.31Å
119	T	98	Very high	93.2	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.043	25%	0.251	C	S	.	.	H	α-helix	trans	-63.4	-42.7	175.6	-59.2	0	0	0	0	111.1	S115 L116 Y117 S122 S123 E395 I398 L399	S115-T119 WeakPolarHBondContact O-CB 3.37Å; S115-T119 PolarHBondContact O-N 3.48Å; S115-T119 PolarHBondContact O-OG1 3.28Å; L116-T119 WeakPolarHBondContact O-CB 3.39Å; L116-T119 PolarHBondContact O-N 3.39Å; L116-T119 VanDerWaalsContact O-N 3.16Å; Y117-T119 VanDerWaalsContact C-N 3.31Å; Y117-T119 PolarHBondContact O-N 3.31Å; T119-S122 PolarHBondContact O-OG 3.32Å; T119-S123 WeakPolarHBondContact O-CB 3.42Å; T119-S123 PolarHBondContact O-N 2.88Å; T119-S123 VanDerWaalsContact O-N 3.07Å; T119-E395 HydrophobicContact CG2-CB 4.29Å; T119-E395 HydrophobicContact CG2-CG 3.77Å; T119-E395 WeakPolarHBondContact OG1-CA 3.18Å; T119-I398 HydrophobicContact CG2-CB 3.97Å; T119-I398 HydrophobicContact CG2-CG2 3.88Å; T119-L399 HydrophobicContact CG2-CD2 4.08Å; T119-L399 HydrophobicContact CG2-CG 3.85Å
120	V	97.6	Very high	93.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64	-50	177	176.3	0	0	0	0	109.8	I95 M97 L116 Y117 S122 S123 Y126 I137 I398	I95-V120 HydrophobicContact CG2-CG1 4.02Å; M97-V120 HydrophobicContact CB-CG1 4.43Å; M97-V120 HydrophobicContact CE-CB 3.7Å; M97-V120 HydrophobicContact CE-CG1 3.92Å; M97-V120 HydrophobicContact CE-CG2 3.62Å; L116-V120 HydrophobicContact CD2-CG2 4.36Å; L116-V120 PolarHBondContact O-N 2.87Å; Y117-V120 PolarHBondContact O-N 2.96Å; V120-S122 VanDerWaalsContact C-N 3.3Å; V120-S122 PolarHBondContact O-N 2.89Å; V120-S123 WeakPolarHBondContact O-CB 3.42Å; V120-S123 PolarHBondContact O-N 3.43Å; V120-S123 VanDerWaalsContact O-N 3.09Å; V120-S123 PolarHBondContact O-OG 2.8Å; V120-Y126 WeakPolarHBondContact O-CB 3.26Å; V120-I137 HydrophobicContact CG1-CD1 4.21Å; V120-I137 HydrophobicContact CG2-CD1 3.95Å; V120-I398 HydrophobicContact CG2-CG2 3.91Å
121	L	96.7	Very high	94.1	Very high	53 Å²	53	57.9 Å²	57.9	28%	0.277	29%	0.292	S	S	.	.	H	α-helix	trans	-60	-35.6	-178.6	-67.9	-172.5	0	0	0	114.1	M97 Y117 N118 Y126	M97-L121 HydrophobicContact CB-CD2 4.49Å; Y117-L121 HydrophobicContact CD1-CD1 3.79Å; Y117-L121 HydrophobicContact CD1-CG 4.28Å; Y117-L121 HydrophobicContact CE1-CD1 3.27Å; Y117-L121 HydrophobicContact CE1-CG 4.02Å; Y117-L121 WeakPolarHBondContact O-CG 3.49Å; Y117-L121 PolarHBondContact O-N 3.11Å; N118-L121 PolarHBondContact O-N 3.5Å; L121-Y126 HydrophobicContact CD2-CD1 4.42Å; L121-Y126 HydrophobicContact CD2-CD2 3.69Å; L121-Y126 HydrophobicContact CD2-CE1 4.06Å; L121-Y126 HydrophobicContact CD2-CE2 3.25Å; L121-Y126 HydrophobicContact CD2-CG 4.26Å; L121-Y126 VanDerWaalsContact CD2-CZ 3.46Å; L121-Y126 WeakPolarHBondContact O-CD1 3.38Å
122	S	97.2	Very high	94.2	Very high	97 Å²	97	53.1 Å²	53.1	68%	0.678	27%	0.27	S	S	*	.	H	α-helix	trans	-86.5	-9.7	178.5	68.2	0	0	0	0	113.6	N118 T119 V120	N118-S122 WeakPolarHBondContact O-CB 3.42Å; N118-S122 PolarHBondContact O-N 2.54Å; N118-S122 PolarHBondContact O-OG 3.31Å; T119-S122 PolarHBondContact O-OG 3.32Å; V120-S122 VanDerWaalsContact C-N 3.3Å; V120-S122 PolarHBondContact O-N 2.89Å
123	S	96.6	Very high	94.4	Very high	13 Å²	13	52.9 Å²	52.9	9%	0.091	27%	0.27	C	S	.	.	S	Bend	trans	-70	155.1	-179.5	76.8	0	0	0	0	112.2	T119 V120 Y125 Y126	T119-S123 WeakPolarHBondContact O-CB 3.42Å; T119-S123 PolarHBondContact O-N 2.88Å; T119-S123 VanDerWaalsContact O-N 3.07Å; V120-S123 WeakPolarHBondContact O-CB 3.42Å; V120-S123 PolarHBondContact O-N 3.43Å; V120-S123 VanDerWaalsContact O-N 3.09Å; V120-S123 PolarHBondContact O-OG 2.8Å; S123-Y125 PolarHBondContact O-N 2.9Å; S123-Y125 PolarHBondContact OG-N 3.12Å; S123-Y126 PolarHBondContact O-N 2.9Å
124	K	93.5	Very high	94.5	Very high	122 Å²	122	52.6 Å²	52.6	53%	0.53	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-11.4	172.3	66.1	176.1	-178.4	169.2	0	114.4	H92	H92-K124 PolarHBondContact CD2-NZ 2.8Å; H92-K124 PolarHBondContact NE2-NZ 2.88Å
125	Y	95.6	Very high	94.7	Very high	2 Å²	2	49 Å²	49	1%	0.008	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-15.6	-176.6	-58.4	-65.7	0	0	0	112.7	H92 I93 R94 I95 S123 L402 D403 N406	H92-Y125 HydrophobicContact CB-CD1 4.15Å; H92-Y125 HydrophobicContact CB-CE1 4.17Å; H92-Y125 AromaticContact CD2-CE1 3.86Å; I93-Y125 HydrophobicContact CD1-CD1 4.42Å; I93-Y125 HydrophobicContact CG1-CD1 3.46Å; I93-Y125 VanDerWaalsContact CG1-CD1 3.46Å; I93-Y125 HydrophobicContact CG1-CE1 3.86Å; I93-Y125 HydrophobicContact CG1-CG 4.09Å; I93-Y125 WeakPolarHBondContact O-CD1 3.26Å; R94-Y125 CarbonylContact C-O 3.56Å; R94-Y125 WeakPolarHBondContact CA-O 3.34Å; I95-Y125 HydrophobicContact CD1-CG 4.42Å; I95-Y125 PolarHBondContact N-O 3.21Å; S123-Y125 PolarHBondContact O-N 2.9Å; S123-Y125 PolarHBondContact OG-N 3.12Å; Y125-L402 HydrophobicContact CD2-CB 3.61Å; Y125-L402 HydrophobicContact CD2-CD1 3.76Å; Y125-L402 HydrophobicContact CD2-CG 4.33Å; Y125-L402 HydrophobicContact CE2-CB 3.63Å; Y125-D403 PolarHBondContact OH-OD1 3.27Å; Y125-N406 HydrophobicContact CE1-CB 3.81Å; Y125-N406 WeakPolarHBondContact CE1-OD1 3.27Å
126	Y	96	Very high	94.8	Very high	81 Å²	81	47.7 Å²	47.7	32%	0.318	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-68.9	139.3	-173.6	173.7	-113.2	0	0	0	113.7	I95 V120 L121 S123 N128	I95-Y126 WeakPolarHBondContact O-CA 3.25Å; V120-Y126 WeakPolarHBondContact O-CB 3.26Å; L121-Y126 HydrophobicContact CD2-CD1 4.42Å; L121-Y126 HydrophobicContact CD2-CD2 3.69Å; L121-Y126 HydrophobicContact CD2-CE1 4.06Å; L121-Y126 HydrophobicContact CD2-CE2 3.25Å; L121-Y126 HydrophobicContact CD2-CG 4.26Å; L121-Y126 VanDerWaalsContact CD2-CZ 3.46Å; L121-Y126 WeakPolarHBondContact O-CD1 3.38Å; S123-Y126 PolarHBondContact O-N 2.9Å; Y126-N128 HydrophobicContact CE1-CB 4.5Å
127	V	94.3	Very high	94.9	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.024	24%	0.24	C	C	.	.			trans	-128.9	145.8	168.3	-66.2	0	0	0	0	110.4	R94 I95 E132 A133	R94-V127 HydrophobicContact CB-CG1 3.71Å; R94-V127 HydrophobicContact CB-CG2 4.08Å; R94-V127 HydrophobicContact CG-CG1 3.79Å; I95-V127 PolarHBondContact O-N 3.27Å; V127-E132 HydrophobicContact CB-CB 4.24Å; V127-E132 HydrophobicContact CG1-CB 4.37Å; V127-E132 HydrophobicContact CG2-CB 4.12Å; V127-A133 HydrophobicContact CG2-CB 4.28Å
128	N	92.9	Very high	94.7	Very high	94 Å²	94	46.4 Å²	46.4	50%	0.503	24%	0.236	S	C	.	.	S	Bend	trans	-87.7	-7	-177.7	63.4	-15.7	0	0	0	113.9	Y126	Y126-N128 HydrophobicContact CE1-CB 4.5Å
129	Q	92.4	Very high	94.3	Very high	105 Å²	105	42.6 Å²	42.6	49%	0.491	22%	0.218	S	C	.	.			trans	-118.9	131.4	179.3	-62.1	-57.7	-34.1	0	0	110.2	E131 E132	Q129-E131 VanDerWaalsContact C-N 3.3Å; Q129-E131 PolarHBondContact O-N 2.96Å; Q129-E132 HydrophobicContact CB-CG 4.02Å; Q129-E132 PolarHBondContact O-N 2.6Å
130	I	92.9	Very high	93.7	Very high	48 Å²	48	42.7 Å²	42.7	25%	0.246	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-66.9	-31	-178.1	-166.4	165.8	0	0	0	112.6	Y96 Y98 E132 A133 I136 S165	Y96-I130 HydrophobicContact CD1-CB 3.92Å; Y96-I130 HydrophobicContact CD1-CD1 3.9Å; Y96-I130 HydrophobicContact CD1-CG1 3.73Å; Y96-I130 HydrophobicContact CD2-CB 4.23Å; Y96-I130 HydrophobicContact CE1-CB 3.97Å; Y96-I130 HydrophobicContact CE1-CD1 3.83Å; Y96-I130 HydrophobicContact CE1-CG1 4.02Å; Y96-I130 HydrophobicContact CE2-CB 4.28Å; Y96-I130 HydrophobicContact CG-CB 4.05Å; Y96-I130 HydrophobicContact CG-CG1 4.17Å; Y98-I130 HydrophobicContact CE1-CD1 4.04Å; I130-E132 PolarHBondContact O-N 2.9Å; I130-A133 WeakPolarHBondContact O-CB 3.32Å; I130-A133 PolarHBondContact O-N 3.21Å; I130-A133 VanDerWaalsContact O-N 3.07Å; I130-I136 HydrophobicContact CD1-CD1 4.09Å; I130-I136 HydrophobicContact CG1-CD1 3.91Å; I130-I136 HydrophobicContact CG1-CG1 4.38Å; I130-S165 VanDerWaalsContact CD1-OG 3.24Å; I130-S165 WeakPolarHBondContact CD1-OG 3.17Å
131	E	90.2	Very high	93.1	Very high	180 Å²	180	43.3 Å²	43.3	84%	0.841	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-68	-22.6	178.4	-59.5	-162.3	-163.3	0	0	112.9	Q129 A133	Q129-E131 VanDerWaalsContact C-N 3.3Å; Q129-E131 PolarHBondContact O-N 2.96Å; E131-A133 VanDerWaalsContact C-N 3.3Å
132	E	90.5	Very high	92.6	Very high	44 Å²	44	41.2 Å²	41.2	21%	0.206	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-80.7	-13.2	174.4	-59.6	-175.1	-174.9	0	0	112.7	M85 K88 R94 V127 Q129 I130	M85-E132 HydrophobicContact CE-CB 4Å; M85-E132 HydrophobicContact CE-CG 3.81Å; M85-E132 HydrophobicContact SD-CB 3.87Å; M85-E132 HydrophobicContact SD-CG 3.71Å; K88-E132 WeakPolarHBondContact CE-OE2 3.35Å; K88-E132 IonicContact NZ-OE2 3.9Å; R94-E132 WeakPolarHBondContact CB-O 3.37Å; R94-E132 WeakPolarHBondContact CD-O 3.32Å; R94-E132 PolarHBondContact NE-O 3.45Å; V127-E132 HydrophobicContact CB-CB 4.24Å; V127-E132 HydrophobicContact CG1-CB 4.37Å; V127-E132 HydrophobicContact CG2-CB 4.12Å; Q129-E132 HydrophobicContact CB-CG 4.02Å; Q129-E132 PolarHBondContact O-N 2.6Å; I130-E132 PolarHBondContact O-N 2.9Å
133	A	93.7	Very high	92	Very high	9 Å²	9	36.7 Å²	36.7	7%	0.074	18%	0.178	C	C	.	.			trans	-77.6	127.9	-167.4	0	0	0	0	0	112.8	Y96 V127 I130 E131 I136	Y96-A133 VanDerWaalsContact CB-CB 3.49Å; V127-A133 HydrophobicContact CG2-CB 4.28Å; I130-A133 WeakPolarHBondContact O-CB 3.32Å; I130-A133 PolarHBondContact O-N 3.21Å; I130-A133 VanDerWaalsContact O-N 3.07Å; E131-A133 VanDerWaalsContact C-N 3.3Å; A133-I136 HydrophobicContact CB-CG1 4.03Å
134	C	93.5	Very high	91	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-75.4	-43.8	163.5	166.1	0	0	0	0	110.8	C81 I93 R94 N171	C81-C134 HydrophobicContact CB-CB 3.69Å; C81-C134 WeakPolarHBondContact CB-SG 3.25Å; C81-C134 WeakPolarHBondContact SG-CB 3.19Å; C81-C134 CovalentContact SG-SG 2.02Å; C81-C134 PolarHBondContact SG-SG 3.23Å; I93-C134 HydrophobicContact CB-CB 4.48Å; R94-C134 WeakPolarHBondContact O-CA 3.37Å; R94-C134 VanDerWaalsContact O-CB 3.31Å; R94-C134 WeakPolarHBondContact O-CB 3.39Å; R94-C134 PolarHBondContact O-N 2.84Å; C134-N171 WeakPolarHBondContact O-CB 3.26Å; C134-N171 PolarHBondContact O-ND2 3.42Å
135	I	96.6	Very high	89.6	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141.4	-179	-58.1	-175.7	0	0	0	109.6	F76 I93 R94 I95 Y96 N171 L173 L405	F76-I135 HydrophobicContact CE2-CD1 4.24Å; F76-I135 HydrophobicContact CE2-CG1 4Å; F76-I135 HydrophobicContact CZ-CD1 4.42Å; F76-I135 HydrophobicContact CZ-CG1 4.18Å; I93-I135 HydrophobicContact CD1-CD1 4.1Å; R94-I135 PolarHBondContact O-N 3.25Å; R94-I135 VanDerWaalsContact O-N 3.09Å; I95-I135 VanDerWaalsContact CA-O 3.3Å; I95-I135 WeakPolarHBondContact CA-O 3.5Å; I95-I135 HydrophobicContact CG1-CB 4.31Å; Y96-I135 PolarHBondContact N-O 3.48Å; I135-N171 WeakPolarHBondContact CA-O 3.48Å; I135-L173 HydrophobicContact CG2-CB 3.74Å; I135-L405 HydrophobicContact CD1-CB 4.07Å; I135-L405 HydrophobicContact CD1-CD1 3.81Å; I135-L405 HydrophobicContact CD1-CD2 4.23Å; I135-L405 HydrophobicContact CD1-CG 4.26Å
136	I	96.5	Very high	87.7	Confident	16 Å²	16	33 Å²	33	8%	0.082	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.8	178.9	-57.2	165.9	0	0	0	110	Y96 Y98 I130 A133 N171 H172 L173	Y96-I136 HydrophobicContact CD1-CG2 4.15Å; Y96-I136 CarbonylContact O-C 3.42Å; Y96-I136 WeakPolarHBondContact O-CA 3.25Å; Y98-I136 HydrophobicContact CD2-CG2 3.54Å; Y98-I136 HydrophobicContact CE2-CG2 3.17Å; I130-I136 HydrophobicContact CD1-CD1 4.09Å; I130-I136 HydrophobicContact CG1-CD1 3.91Å; I130-I136 HydrophobicContact CG1-CG1 4.38Å; A133-I136 HydrophobicContact CB-CG1 4.03Å; I136-N171 PolarHBondContact N-O 3.5Å; I136-H172 CarbonylContact O-C 3.46Å; I136-H172 VanDerWaalsContact O-CA 3.25Å; I136-H172 WeakPolarHBondContact O-CA 3.5Å; I136-L173 PolarHBondContact O-N 2.84Å
137	I	96.2	Very high	85.6	Confident	4 Å²	4	31.2 Å²	31.2	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.4	178	-54.8	176.4	0	0	0	109	I95 Y96 M97 Y98 V120 L173	I95-I137 HydrophobicContact CG2-CD1 3.68Å; I95-I137 HydrophobicContact CG2-CG1 3.95Å; Y96-I137 PolarHBondContact O-N 2.93Å; M97-I137 HydrophobicContact CE-CB 3.83Å; M97-I137 HydrophobicContact CE-CD1 4.09Å; M97-I137 HydrophobicContact CE-CG2 3.6Å; M97-I137 HydrophobicContact SD-CB 3.57Å; M97-I137 VanDerWaalsContact SD-CB 3.57Å; M97-I137 HydrophobicContact SD-CG2 3.48Å; M97-I137 WeakPolarHBondContact SD-CG2 3.49Å; Y98-I137 PolarHBondContact N-O 2.73Å; V120-I137 HydrophobicContact CG1-CD1 4.21Å; V120-I137 HydrophobicContact CG2-CD1 3.95Å; I137-L173 HydrophobicContact CD1-CD2 3.99Å; I137-L173 HydrophobicContact CG1-CB 4.15Å; I137-L173 HydrophobicContact CG1-CD2 4.15Å; I137-L173 HydrophobicContact CG1-CG 4.5Å
138	P	91.3	Very high	83.5	Confident	6 Å²	6	37.7 Å²	37.7	4%	0.039	20%	0.196	C	C	.	.			trans	-68.6	137.1	174.7	29.4	-32	0	0	0	111.1	L140 L160 L163 L173	P138-L140 HydrophobicContact CB-CD1 4.41Å; P138-L140 HydrophobicContact CB-CG 4.41Å; P138-L140 PolarHBondContact O-N 3.33Å; P138-L160 HydrophobicContact CB-CD2 3.51Å; P138-L160 HydrophobicContact CG-CD2 3.79Å; P138-L163 HydrophobicContact CB-CD1 3.97Å; P138-L173 WeakPolarHBondContact CD-O 3.04Å
139	G	88	Confident	81.6	Confident	10 Å²	10	35.7 Å²	35.7	10%	0.103	19%	0.185	C	C	.	.	S	Bend	trans	-77.3	48	174.6	0	0	0	0	0	112.9
140	L	85.4	Confident	80	Confident	8 Å²	8	36 Å²	36	4%	0.042	19%	0.19	C	C	.	.			trans	-119	133.2	-179	-64.9	174.6	0	0	0	110.6	F106 F113 P138 L142 S156 Y159 L160	F106-L140 HydrophobicContact CD1-CD2 4.48Å; F106-L140 HydrophobicContact CD2-CD2 4.03Å; F106-L140 HydrophobicContact CE1-CD2 4.21Å; F106-L140 HydrophobicContact CE2-CD2 3.73Å; F106-L140 HydrophobicContact CG-CD2 4.41Å; F106-L140 HydrophobicContact CZ-CD2 3.83Å; F113-L140 VanDerWaalsContact CE2-C 3.45Å; F113-L140 WeakPolarHBondContact CE2-O 3.46Å; P138-L140 HydrophobicContact CB-CD1 4.41Å; P138-L140 HydrophobicContact CB-CG 4.41Å; P138-L140 PolarHBondContact O-N 3.33Å; L140-L142 HydrophobicContact CB-CG 4.17Å; L140-L142 PolarHBondContact O-N 3.29Å; L140-L142 VanDerWaalsContact O-N 3.09Å; L140-S156 WeakPolarHBondContact CD1-O 3.3Å; L140-Y159 HydrophobicContact CD1-CD1 4.02Å; L140-Y159 HydrophobicContact CD2-CD1 3.74Å; L140-Y159 HydrophobicContact CD2-CE1 4.12Å; L140-Y159 HydrophobicContact CG-CD1 4.22Å; L140-L160 HydrophobicContact CD1-CD2 3.54Å; L140-L160 HydrophobicContact CD1-CG 3.86Å
141	D	85.3	Confident	78.6	Confident	14 Å²	14	39.3 Å²	39.3	8%	0.075	20%	0.204	C	C	.	.			trans	-77.7	97.2	172.7	-165.1	-10.5	0	0	0	110.7	F109 S110 F113 L143	F109-D141 HydrophobicContact CD1-CB 4.15Å; S110-D141 WeakPolarHBondContact CB-OD2 3.48Å; S110-D141 PolarHBondContact N-OD2 3.01Å; S110-D141 PolarHBondContact OG-OD2 3.08Å; F113-D141 HydrophobicContact CB-CB 4.01Å; F113-D141 VanDerWaalsContact CB-OD2 3.22Å; F113-D141 WeakPolarHBondContact CB-OD2 3.3Å; F113-D141 HydrophobicContact CD1-CB 4.1Å; F113-D141 HydrophobicContact CD2-CB 4.04Å; F113-D141 HydrophobicContact CG-CB 3.76Å; D141-L143 WeakPolarHBondContact OD1-CB 3.38Å; D141-L143 PolarHBondContact OD1-N 2.79Å; D141-L143 VanDerWaalsContact OD1-N 3.14Å
142	L	85.9	Confident	77.5	Confident	9 Å²	9	32.3 Å²	32.3	5%	0.047	17%	0.172	C	C	.	.			trans	-110	13.4	175.2	-61.6	175.4	0	0	0	111.7	L140 M157 I174 N176	L140-L142 HydrophobicContact CB-CG 4.17Å; L140-L142 PolarHBondContact O-N 3.29Å; L140-L142 VanDerWaalsContact O-N 3.09Å; L142-M157 HydrophobicContact CD1-SD 4.34Å; L142-I174 HydrophobicContact CD1-CG2 3.85Å; L142-N176 VanDerWaalsContact O-CB 3.3Å; L142-N176 WeakPolarHBondContact O-CB 3.5Å; L142-N176 PolarHBondContact O-OD1 3.18Å
143	L	86.1	Confident	76.4	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.163	C	C	.	.	S	Bend	trans	-69	-39.4	-170.5	-68.6	-176	0	0	0	113.3	Q112 F113 L116 D141 I175 N176 F177 L178	Q112-L143 HydrophobicContact CB-CD1 3.83Å; F113-L143 HydrophobicContact CB-CD1 3.91Å; F113-L143 HydrophobicContact CD2-CD1 4.47Å; F113-L143 HydrophobicContact CD2-CG 4.43Å; L116-L143 HydrophobicContact CD1-CD1 4.33Å; L116-L143 HydrophobicContact CD1-CD2 3.8Å; L116-L143 HydrophobicContact CD1-CG 4.46Å; D141-L143 WeakPolarHBondContact OD1-CB 3.38Å; D141-L143 PolarHBondContact OD1-N 2.79Å; D141-L143 VanDerWaalsContact OD1-N 3.14Å; L143-I175 HydrophobicContact CD2-CG2 3.82Å; L143-N176 PolarHBondContact O-OD1 3.32Å; L143-F177 HydrophobicContact CB-CD2 4.11Å; L143-F177 HydrophobicContact CD1-CD2 4.48Å; L143-F177 HydrophobicContact CD1-CE2 4.11Å; L143-F177 HydrophobicContact CD2-CD2 3.94Å; L143-F177 HydrophobicContact CD2-CE2 3.77Å; L143-F177 HydrophobicContact CD2-CZ 4.38Å; L143-F177 HydrophobicContact CG-CD2 4.42Å; L143-F177 HydrophobicContact CG-CE2 4.37Å; L143-F177 WeakPolarHBondContact O-CA 3.21Å; L143-F177 WeakPolarHBondContact O-CB 3.42Å; L143-F177 PolarHBondContact O-N 2.84Å; L143-L178 PolarHBondContact O-N 3.2Å
144	Y	75	Confident	75.5	Confident	16 Å²	16	30.7 Å²	30.7	6%	0.063	16%	0.163	C	C	.	.	S	Bend	trans	-129.3	143.6	-176	-59.7	-76.4	0	0	0	110.2	M43 Q112 Y146 F177 L178 F212	M43-Y144 HydrophobicContact SD-CD2 4.21Å; M43-Y144 HydrophobicContact SD-CE2 4.05Å; Q112-Y144 HydrophobicContact CB-CE2 3.93Å; Q112-Y144 HydrophobicContact CG-CE2 3.87Å; Y144-Y146 PolarHBondContact O-N 3.08Å; Y144-F177 HydrophobicContact CE1-CB 4.23Å; Y144-F177 HydrophobicContact CE1-CD2 4.27Å; Y144-F177 HydrophobicContact CE2-CD2 4.36Å; Y144-F177 AromaticContact CZ-CD2 3.89Å; Y144-L178 HydrophobicContact CD1-CD1 3.82Å; Y144-L178 HydrophobicContact CD1-CG 4.17Å; Y144-F212 PolarHBondContact OH-O 2.85Å
145	A	63.8	Low	74.7	Confident	14 Å²	14	32 Å²	32	12%	0.116	17%	0.17	C	C	.	.			trans	-78.6	119.6	177	0	0	0	0	0	110.1	P147 I153	A145-P147 VanDerWaalsContact O-CD 3.25Å; A145-P147 WeakPolarHBondContact O-CD 3.47Å; A145-I153 HydrophobicContact CB-CD1 4.11Å
146	Y	56.2	Low	73.9	Confident	29 Å²	29	32.1 Å²	32.1	11%	0.114	17%	0.171	C	C	.	.			trans	-67.8	113.7	171.1	-61.1	-70.6	0	0	0	109.5	I45 G108 Y144 D148 N149 M152 I153	I45-Y146 HydrophobicContact CD1-CD1 4.06Å; I45-Y146 HydrophobicContact CD1-CE1 3.4Å; I45-Y146 HydrophobicContact CG1-CD1 4.21Å; I45-Y146 HydrophobicContact CG1-CE1 3.42Å; I45-Y146 VanDerWaalsContact CG1-CE1 3.42Å; G108-Y146 PolarHBondContact O-OH 2.93Å; Y144-Y146 PolarHBondContact O-N 3.08Å; Y146-D148 VanDerWaalsContact C-N 3.35Å; Y146-D148 PolarHBondContact O-N 3.43Å; Y146-N149 HydrophobicContact CG-CB 4.39Å; Y146-N149 CarbonylContact O-C 3.6Å; Y146-N149 PolarHBondContact O-N 3.26Å; Y146-N149 VanDerWaalsContact O-N 3.07Å; Y146-M152 HydrophobicContact CD2-CB 4.11Å; Y146-I153 HydrophobicContact CD2-CD1 4.49Å; Y146-I153 HydrophobicContact CD2-CG1 4.35Å
147	P	50.6	Low	73.1	Confident	45 Å²	45	31.3 Å²	31.3	29%	0.292	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-36.4	-169	22.6	-32.3	0	0	0	112.6	Y41 N42 A145 N149	Y41-P147 HydrophobicContact CD1-CB 4.05Å; Y41-P147 HydrophobicContact CG-CB 4.3Å; Y41-P147 WeakPolarHBondContact O-CD 3.08Å; Y41-P147 WeakPolarHBondContact O-CG 3.3Å; N42-P147 HydrophobicContact CB-CG 4.29Å; N42-P147 WeakPolarHBondContact OD1-CG 3.36Å; A145-P147 VanDerWaalsContact O-CD 3.25Å; A145-P147 WeakPolarHBondContact O-CD 3.47Å; P147-N149 VanDerWaalsContact C-N 3.33Å
148	D	50.2	Low	72.5	Confident	140 Å²	140	33.6 Å²	33.6	75%	0.749	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	-2.4	177.5	-60.5	-40.8	0	0	0	112	Y146	Y146-D148 VanDerWaalsContact C-N 3.35Å; Y146-D148 PolarHBondContact O-N 3.43Å
149	N	53.8	Low	72.1	Confident	52 Å²	52	36 Å²	36	28%	0.278	18%	0.184	S	C	.	.			trans	-135.3	48.4	-166.6	-128.5	-15.4	0	0	0	113.6	Y146 P147 Q151 M152	Y146-N149 HydrophobicContact CG-CB 4.39Å; Y146-N149 CarbonylContact O-C 3.6Å; Y146-N149 PolarHBondContact O-N 3.26Å; Y146-N149 VanDerWaalsContact O-N 3.07Å; P147-N149 VanDerWaalsContact C-N 3.33Å; N149-Q151 PolarHBondContact O-N 3.13Å; N149-M152 HydrophobicContact CB-CB 4.21Å; N149-M152 HydrophobicContact CB-CG 4.02Å; N149-M152 VanDerWaalsContact CG-CG 3.4Å; N149-M152 VanDerWaalsContact ND2-CG 3.27Å; N149-M152 WeakPolarHBondContact ND2-CG 3.15Å; N149-M152 WeakPolarHBondContact O-CB 3.34Å; N149-M152 PolarHBondContact O-N 3.29Å
150	N	58.7	Low	71.9	Confident	110 Å²	110	35.6 Å²	35.6	59%	0.588	18%	0.179	S	C	*	.	H	α-helix	trans	-48.9	-26.4	165.4	-84.1	-24.7	0	0	0	112.6	D154	N150-D154 PolarHBondContact O-N 3.08Å
151	Q	64.2	Low	71.8	Confident	119 Å²	119	37.8 Å²	37.8	56%	0.556	19%	0.189	S	C	*	.	H	α-helix	trans	-62.9	-42	173	-64	-173.4	-4	0	0	112.7	N149 I153 D154 L155	N149-Q151 PolarHBondContact O-N 3.13Å; Q151-I153 VanDerWaalsContact C-N 3.34Å; Q151-I153 PolarHBondContact O-N 3.27Å; Q151-D154 PolarHBondContact O-N 3.23Å; Q151-L155 WeakPolarHBondContact O-CB 3.4Å; Q151-L155 VanDerWaalsContact O-CG 3.28Å; Q151-L155 WeakPolarHBondContact O-CG 3.37Å; Q151-L155 PolarHBondContact O-N 3.04Å
152	M	65.7	Low	71.7	Confident	33 Å²	33	41.4 Å²	41.4	16%	0.163	21%	0.205	C	C	.	.	H	α-helix	trans	-64.2	-37.9	-179.2	-78.6	-66.9	-72.6	0	0	112.7	M105 F106 Y146 N149 L155 S156	M105-M152 WeakPolarHBondContact O-CE 3.35Å; F106-M152 HydrophobicContact CD1-CE 4.06Å; F106-M152 HydrophobicContact CE1-CE 4.45Å; Y146-M152 HydrophobicContact CD2-CB 4.11Å; N149-M152 HydrophobicContact CB-CB 4.21Å; N149-M152 HydrophobicContact CB-CG 4.02Å; N149-M152 VanDerWaalsContact CG-CG 3.4Å; N149-M152 VanDerWaalsContact ND2-CG 3.27Å; N149-M152 WeakPolarHBondContact ND2-CG 3.15Å; N149-M152 WeakPolarHBondContact O-CB 3.34Å; N149-M152 PolarHBondContact O-N 3.29Å; M152-L155 PolarHBondContact O-N 3.04Å; M152-S156 WeakPolarHBondContact O-CB 3Å; M152-S156 PolarHBondContact O-N 2.03Å; M152-S156 PolarHBondContact O-OG 3.38Å
153	I	68.9	Low	71.8	Confident	5 Å²	5	41.5 Å²	41.5	3%	0.026	21%	0.206	C	C	.	.	H	α-helix	trans	-74.6	-37.4	178.5	-63.9	170	0	0	0	110.5	A145 Y146 Q151 L155 S156 M157 N180 K182	A145-I153 HydrophobicContact CB-CD1 4.11Å; Y146-I153 HydrophobicContact CD2-CD1 4.49Å; Y146-I153 HydrophobicContact CD2-CG1 4.35Å; Q151-I153 VanDerWaalsContact C-N 3.34Å; Q151-I153 PolarHBondContact O-N 3.27Å; I153-L155 VanDerWaalsContact C-N 3.31Å; I153-L155 PolarHBondContact O-N 3.05Å; I153-S156 PolarHBondContact O-N 2.91Å; I153-M157 HydrophobicContact CG2-CG 4.28Å; I153-M157 WeakPolarHBondContact O-CB 3.18Å; I153-M157 VanDerWaalsContact O-CG 3.29Å; I153-M157 WeakPolarHBondContact O-CG 3.19Å; I153-M157 PolarHBondContact O-N 3.17Å; I153-N180 WeakPolarHBondContact CD1-ND2 3.34Å; I153-N180 WeakPolarHBondContact CG2-ND2 3.27Å; I153-K182 HydrophobicContact CG2-CB 4.12Å
154	D	74.6	Confident	71.7	Confident	13 Å²	13	47.1 Å²	47.1	7%	0.07	24%	0.242	C	C	.	.	H	α-helix	trans	-58.2	-45	170.8	-167.8	68.6	0	0	0	111.2	N150 Q151 M157 R158 K182	N150-D154 PolarHBondContact O-N 3.08Å; Q151-D154 PolarHBondContact O-N 3.23Å; D154-M157 PolarHBondContact O-N 2.84Å; D154-R158 WeakPolarHBondContact O-CB 3.21Å; D154-R158 VanDerWaalsContact O-CG 3.24Å; D154-R158 WeakPolarHBondContact O-CG 3.16Å; D154-R158 PolarHBondContact O-N 2.83Å; D154-R158 IonicContact OD1-NE 3.93Å; D154-R158 IonicContact OD1-NH2 3.32Å; D154-R158 IonicContact OD2-CZ 3.3Å; D154-R158 VanDerWaalsContact OD2-CZ 3.28Å; D154-R158 IonicContact OD2-NE 3.57Å; D154-R158 PolarHBondContact OD2-NE 3.27Å; D154-R158 IonicContact OD2-NH2 3.78Å; D154-R158 PolarHBondContact OD2-NH2 2.87Å; D154-K182 WeakPolarHBondContact OD1-CD 3.49Å; D154-K182 VanDerWaalsContact OD1-CE 3.27Å; D154-K182 WeakPolarHBondContact OD1-CE 3.44Å; D154-K182 IonicContact OD1-NZ 2.68Å; D154-K182 PolarHBondContact OD1-NZ 3.42Å
155	L	75.2	Confident	72.3	Confident	27 Å²	27	48.5 Å²	48.5	14%	0.141	26%	0.255	C	S	.	.	H	α-helix	trans	-63.8	-42.5	174.8	-69.8	173.9	0	0	0	112.2	M105 Q151 M152 I153 M157 R158 Y159	M105-L155 HydrophobicContact CE-CB 4.35Å; M105-L155 HydrophobicContact CE-CD1 4.47Å; M105-L155 HydrophobicContact CE-CD2 3.96Å; M105-L155 HydrophobicContact CE-CG 4.49Å; Q151-L155 WeakPolarHBondContact O-CB 3.4Å; Q151-L155 VanDerWaalsContact O-CG 3.28Å; Q151-L155 WeakPolarHBondContact O-CG 3.37Å; Q151-L155 PolarHBondContact O-N 3.04Å; M152-L155 PolarHBondContact O-N 3.04Å; I153-L155 VanDerWaalsContact C-N 3.31Å; I153-L155 PolarHBondContact O-N 3.05Å; L155-M157 PolarHBondContact O-N 3.4Å; L155-R158 PolarHBondContact O-N 3.21Å; L155-Y159 WeakPolarHBondContact O-CB 3.03Å; L155-Y159 PolarHBondContact O-N 2.77Å
156	S	79.9	Confident	73.4	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-61.2	-44.9	176.9	-57.3	0	0	0	0	111.3	F106 L140 M152 I153 Y159 L160	F106-S156 WeakPolarHBondContact CE1-OG 3.44Å; L140-S156 WeakPolarHBondContact CD1-O 3.3Å; M152-S156 WeakPolarHBondContact O-CB 3Å; M152-S156 PolarHBondContact O-N 2.03Å; M152-S156 PolarHBondContact O-OG 3.38Å; I153-S156 PolarHBondContact O-N 2.91Å; S156-Y159 WeakPolarHBondContact O-CB 2.96Å; S156-Y159 PolarHBondContact O-N 3.4Å; S156-L160 PolarHBondContact O-N 3.49Å
157	M	81.3	Confident	75	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-66.5	-37.9	177	-68.4	-55.8	-61.5	0	0	112.1	L62 P63 L142 I153 D154 L155 L160 K182 L183 Y185	L62-M157 HydrophobicContact CD2-CB 4.02Å; P63-M157 WeakPolarHBondContact CD-O 3.18Å; P63-M157 VanDerWaalsContact CG-O 3.24Å; P63-M157 WeakPolarHBondContact CG-O 3.44Å; L142-M157 HydrophobicContact CD1-SD 4.34Å; I153-M157 HydrophobicContact CG2-CG 4.28Å; I153-M157 WeakPolarHBondContact O-CB 3.18Å; I153-M157 VanDerWaalsContact O-CG 3.29Å; I153-M157 WeakPolarHBondContact O-CG 3.19Å; I153-M157 PolarHBondContact O-N 3.17Å; D154-M157 PolarHBondContact O-N 2.84Å; L155-M157 PolarHBondContact O-N 3.4Å; M157-L160 HydrophobicContact CE-CD1 3.73Å; M157-L160 WeakPolarHBondContact O-CB 3.35Å; M157-L160 PolarHBondContact O-N 3.37Å; M157-L160 HydrophobicContact SD-CD1 3.72Å; M157-K182 HydrophobicContact CG-CB 4.07Å; M157-L183 HydrophobicContact SD-CD2 4.07Å; M157-Y185 WeakPolarHBondContact CE-O 3.33Å
158	R	82.7	Confident	76.9	Confident	51 Å²	51	53 Å²	53	19%	0.192	27%	0.274	C	S	.	.	H	α-helix	trans	-66.8	-35.8	174	-75.1	173.8	-164.8	-90.8	1.5	112.8	Y60 L62 D154 L155 L160 H161 H162	Y60-R158 VanDerWaalsContact O-CD 3.26Å; Y60-R158 WeakPolarHBondContact O-CD 3.41Å; Y60-R158 WeakPolarHBondContact O-CG 3.47Å; Y60-R158 PolarHBondContact O-NH1 3.48Å; L62-R158 HydrophobicContact CD2-CG 3.72Å; L62-R158 HydrophobicContact CG-CG 3.87Å; D154-R158 WeakPolarHBondContact O-CB 3.21Å; D154-R158 VanDerWaalsContact O-CG 3.24Å; D154-R158 WeakPolarHBondContact O-CG 3.16Å; D154-R158 PolarHBondContact O-N 2.83Å; D154-R158 IonicContact OD1-NE 3.93Å; D154-R158 IonicContact OD1-NH2 3.32Å; D154-R158 IonicContact OD2-CZ 3.3Å; D154-R158 VanDerWaalsContact OD2-CZ 3.28Å; D154-R158 IonicContact OD2-NE 3.57Å; D154-R158 PolarHBondContact OD2-NE 3.27Å; D154-R158 IonicContact OD2-NH2 3.78Å; D154-R158 PolarHBondContact OD2-NH2 2.87Å; L155-R158 PolarHBondContact O-N 3.21Å; R158-L160 VanDerWaalsContact C-N 3.28Å; R158-L160 PolarHBondContact O-N 2.92Å; R158-H161 PolarHBondContact O-N 3.08Å; R158-H162 PolarHBondContact O-ND1 2.79Å
159	Y	82.5	Confident	78.9	Confident	58 Å²	58	46.3 Å²	46.3	23%	0.227	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-35	175	-179	-100.9	0	0	0	111.7	F106 L140 L155 S156 H161 H162 L163	F106-Y159 HydrophobicContact CE2-CD1 4.2Å; F106-Y159 HydrophobicContact CE2-CD2 4.31Å; F106-Y159 HydrophobicContact CE2-CG 4.04Å; F106-Y159 HydrophobicContact CZ-CG 4.35Å; L140-Y159 HydrophobicContact CD1-CD1 4.02Å; L140-Y159 HydrophobicContact CD2-CD1 3.74Å; L140-Y159 HydrophobicContact CD2-CE1 4.12Å; L140-Y159 HydrophobicContact CG-CD1 4.22Å; L155-Y159 WeakPolarHBondContact O-CB 3.03Å; L155-Y159 PolarHBondContact O-N 2.77Å; S156-Y159 WeakPolarHBondContact O-CB 2.96Å; S156-Y159 PolarHBondContact O-N 3.4Å; Y159-H161 VanDerWaalsContact C-N 3.26Å; Y159-H161 PolarHBondContact O-N 3.47Å; Y159-H162 PolarHBondContact O-N 2.95Å; Y159-L163 HydrophobicContact CD1-CD2 4.27Å; Y159-L163 HydrophobicContact CE1-CD2 3.61Å; Y159-L163 HydrophobicContact CE1-CG 4.31Å; Y159-L163 PolarHBondContact O-N 3.34Å
160	L	84.7	Confident	80.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-53.4	-42.9	174.9	-68.4	175.1	0	0	0	112.3	P63 P138 L140 S156 M157 R158 H162 L163 W166 I174	P63-L160 HydrophobicContact CG-CB 4.32Å; P138-L160 HydrophobicContact CB-CD2 3.51Å; P138-L160 HydrophobicContact CG-CD2 3.79Å; L140-L160 HydrophobicContact CD1-CD2 3.54Å; L140-L160 HydrophobicContact CD1-CG 3.86Å; S156-L160 PolarHBondContact O-N 3.49Å; M157-L160 HydrophobicContact CE-CD1 3.73Å; M157-L160 WeakPolarHBondContact O-CB 3.35Å; M157-L160 PolarHBondContact O-N 3.37Å; M157-L160 HydrophobicContact SD-CD1 3.72Å; R158-L160 VanDerWaalsContact C-N 3.28Å; R158-L160 PolarHBondContact O-N 2.92Å; L160-H162 PolarHBondContact O-N 3.34Å; L160-L163 HydrophobicContact CD2-CD1 3.72Å; L160-L163 WeakPolarHBondContact O-CB 3.32Å; L160-L163 PolarHBondContact O-N 2.9Å; L160-L163 VanDerWaalsContact O-N 3.1Å; L160-W166 HydrophobicContact CB-CD2 4.22Å; L160-W166 HydrophobicContact CB-CE3 4.19Å; L160-W166 HydrophobicContact CB-CH2 3.98Å; L160-W166 HydrophobicContact CB-CZ2 3.98Å; L160-W166 HydrophobicContact CB-CZ3 4.08Å; L160-W166 HydrophobicContact CD1-CH2 3.92Å; L160-W166 HydrophobicContact CD1-CZ2 4.41Å; L160-W166 HydrophobicContact CD1-CZ3 4.34Å; L160-W166 HydrophobicContact CD2-CE3 4.49Å; L160-W166 HydrophobicContact CD2-CH2 4.43Å; L160-W166 HydrophobicContact CD2-CZ3 4.04Å; L160-W166 HydrophobicContact CG-CH2 4.35Å; L160-W166 HydrophobicContact CG-CZ3 4.4Å; L160-W166 WeakPolarHBondContact O-CB 3.24Å; L160-I174 HydrophobicContact CD1-CD1 4.01Å
161	H	83.5	Confident	82.6	Confident	55 Å²	55	43 Å²	43	26%	0.255	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.3	-179	-171	62	0	0	0	113.5	P63 R158 Y159 W166 E168	P63-H161 HydrophobicContact CG-CB 4.17Å; R158-H161 PolarHBondContact O-N 3.08Å; Y159-H161 VanDerWaalsContact C-N 3.26Å; Y159-H161 PolarHBondContact O-N 3.47Å; H161-W166 VanDerWaalsContact CA-CD1 3.46Å; H161-W166 AromaticContact ND1-CD1 4Å; H161-E168 IonicContact CE1-OE1 3.9Å
162	H	83	Confident	84.1	Confident	89 Å²	89	37.3 Å²	37.3	41%	0.412	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	1.8	-175.5	-63	73.2	0	0	0	112.9	Y60 R158 Y159 L160	Y60-H162 AromaticContact CD1-CD2 3.86Å; Y60-H162 AromaticContact CD1-CE1 3.48Å; Y60-H162 VanDerWaalsContact CD1-CE1 3.48Å; Y60-H162 WeakPolarHBondContact CD1-CE1 3.35Å; Y60-H162 AromaticContact CD1-CG 3.83Å; Y60-H162 AromaticContact CD1-ND1 3.57Å; Y60-H162 AromaticContact CD1-NE2 3.62Å; R158-H162 PolarHBondContact O-ND1 2.79Å; Y159-H162 PolarHBondContact O-N 2.95Å; L160-H162 PolarHBondContact O-N 3.34Å
163	L	86.4	Confident	85.6	Confident	11 Å²	11	35.8 Å²	35.8	6%	0.058	18%	0.182	C	C	.	.	S	Bend	trans	-65.5	136	174.7	-71.5	172.1	0	0	0	109.9	Y98 P138 Y159 L160 S165 W166	Y98-L163 HydrophobicContact CD1-CD2 4.12Å; Y98-L163 HydrophobicContact CD2-CD1 4.11Å; Y98-L163 HydrophobicContact CD2-CD2 4.41Å; Y98-L163 HydrophobicContact CE1-CB 4.39Å; Y98-L163 HydrophobicContact CE1-CD2 4.17Å; Y98-L163 HydrophobicContact CE2-CB 4.25Å; Y98-L163 HydrophobicContact CE2-CD1 3.86Å; Y98-L163 HydrophobicContact CE2-CD2 4.39Å; Y98-L163 HydrophobicContact CE2-CG 4.42Å; Y98-L163 HydrophobicContact CG-CD2 4.24Å; P138-L163 HydrophobicContact CB-CD1 3.97Å; Y159-L163 HydrophobicContact CD1-CD2 4.27Å; Y159-L163 HydrophobicContact CE1-CD2 3.61Å; Y159-L163 HydrophobicContact CE1-CG 4.31Å; Y159-L163 PolarHBondContact O-N 3.34Å; L160-L163 HydrophobicContact CD2-CD1 3.72Å; L160-L163 WeakPolarHBondContact O-CB 3.32Å; L160-L163 PolarHBondContact O-N 2.9Å; L160-L163 VanDerWaalsContact O-N 3.1Å; L163-S165 PolarHBondContact O-N 2.69Å; L163-W166 HydrophobicContact CB-CB 4.12Å; L163-W166 VanDerWaalsContact O-CB 3.26Å; L163-W166 WeakPolarHBondContact O-CB 3.37Å; L163-W166 PolarHBondContact O-N 3.45Å
164	P	84.6	Confident	86.7	Confident	119 Å²	119	35.5 Å²	35.5	77%	0.773	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-34.3	-171.5	-29.9	33.4	0	0	0	115.7
165	S	87.4	Confident	87.7	Confident	46 Å²	46	35.5 Å²	35.5	32%	0.322	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	15.7	-178.5	-51.9	0	0	0	0	113.5	Y98 I130 L163 N167 H172	Y98-S165 WeakPolarHBondContact OH-CB 3.27Å; Y98-S165 PolarHBondContact OH-N 2.82Å; Y98-S165 VanDerWaalsContact OH-N 3.12Å; I130-S165 VanDerWaalsContact CD1-OG 3.24Å; I130-S165 WeakPolarHBondContact CD1-OG 3.17Å; L163-S165 PolarHBondContact O-N 2.69Å; S165-N167 VanDerWaalsContact C-N 3.26Å; S165-N167 PolarHBondContact O-N 2.98Å; S165-H172 PolarHBondContact O-CE1 3.34Å
166	W	88.1	Confident	88.3	Confident	7 Å²	7	34.4 Å²	34.4	3%	0.027	18%	0.175	C	C	.	.			trans	-56.1	-25.3	-167.3	179.7	-116.3	0	0	0	116.2	P63 L160 H161 L163 E168 G169 H172 I174 A189	P63-W166 HydrophobicContact CB-CZ2 4.06Å; P63-W166 HydrophobicContact CG-CZ2 4.13Å; L160-W166 HydrophobicContact CB-CD2 4.22Å; L160-W166 HydrophobicContact CB-CE3 4.19Å; L160-W166 HydrophobicContact CB-CH2 3.98Å; L160-W166 HydrophobicContact CB-CZ2 3.98Å; L160-W166 HydrophobicContact CB-CZ3 4.08Å; L160-W166 HydrophobicContact CD1-CH2 3.92Å; L160-W166 HydrophobicContact CD1-CZ2 4.41Å; L160-W166 HydrophobicContact CD1-CZ3 4.34Å; L160-W166 HydrophobicContact CD2-CE3 4.49Å; L160-W166 HydrophobicContact CD2-CH2 4.43Å; L160-W166 HydrophobicContact CD2-CZ3 4.04Å; L160-W166 HydrophobicContact CG-CH2 4.35Å; L160-W166 HydrophobicContact CG-CZ3 4.4Å; L160-W166 WeakPolarHBondContact O-CB 3.24Å; H161-W166 VanDerWaalsContact CA-CD1 3.46Å; H161-W166 AromaticContact ND1-CD1 4Å; L163-W166 HydrophobicContact CB-CB 4.12Å; L163-W166 VanDerWaalsContact O-CB 3.26Å; L163-W166 WeakPolarHBondContact O-CB 3.37Å; L163-W166 PolarHBondContact O-N 3.45Å; W166-E168 PolarHBondContact O-N 2.75Å; W166-G169 WeakPolarHBondContact O-CA 3.35Å; W166-G169 PolarHBondContact O-N 2.91Å; W166-H172 HydrophobicContact CE3-CB 4.44Å; W166-H172 AromaticContact CE3-CD2 3.6Å; W166-H172 AromaticContact CE3-CG 3.87Å; W166-H172 HydrophobicContact CZ3-CB 3.91Å; W166-H172 AromaticContact CZ3-CD2 3.8Å; W166-H172 AromaticContact CZ3-CG 3.84Å; W166-I174 HydrophobicContact CH2-CD1 4.18Å; W166-A189 HydrophobicContact CH2-CB 4.26Å
167	N	89.2	Confident	88.5	Confident	110 Å²	110	34.3 Å²	34.3	59%	0.588	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	31	48	170.1	-163.2	21.7	0	0	0	117.1	S165 G169 K170	S165-N167 VanDerWaalsContact C-N 3.26Å; S165-N167 PolarHBondContact O-N 2.98Å; N167-G169 PolarHBondContact O-N 2.96Å; N167-G169 VanDerWaalsContact O-N 3.16Å; N167-K170 WeakPolarHBondContact O-CB 3.43Å; N167-K170 PolarHBondContact O-N 3.29Å
168	E	91.1	Very high	88	Confident	65 Å²	65	34.7 Å²	34.7	30%	0.304	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	50.9	36.2	-175.8	-60.2	-55.4	142.8	0	0	114.4	L64 H161 W166 K170 A187 S188	L64-E168 HydrophobicContact CD1-CG 4.34Å; L64-E168 VanDerWaalsContact CD1-OE2 3.3Å; L64-E168 WeakPolarHBondContact CD1-OE2 3.49Å; L64-E168 WeakPolarHBondContact CG-OE2 3.44Å; H161-E168 IonicContact CE1-OE1 3.9Å; W166-E168 PolarHBondContact O-N 2.75Å; E168-K170 VanDerWaalsContact C-N 3.29Å; E168-K170 PolarHBondContact O-N 3.4Å; E168-A187 HydrophobicContact CB-CB 4.47Å; E168-A187 WeakPolarHBondContact O-CB 3.37Å; E168-S188 WeakPolarHBondContact O-CA 3.33Å; E168-S188 WeakPolarHBondContact O-CB 3.48Å; E168-S188 PolarHBondContact O-N 2.91Å; E168-S188 PolarHBondContact O-OG 2.96Å
169	G	92.1	Very high	87.3	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	78.9	-4.2	180	0	0	0	0	0	115.1	W166 N167 N171 H172 S188 A189	W166-G169 WeakPolarHBondContact O-CA 3.35Å; W166-G169 PolarHBondContact O-N 2.91Å; N167-G169 PolarHBondContact O-N 2.96Å; N167-G169 VanDerWaalsContact O-N 3.16Å; G169-N171 PolarHBondContact O-N 2.8Å; G169-H172 WeakPolarHBondContact O-CB 3.43Å; G169-H172 PolarHBondContact O-N 3.1Å; G169-S188 CarbonylContact O-C 3.5Å; G169-A189 WeakPolarHBondContact O-CA 3.36Å; G169-A189 PolarHBondContact O-N 2.63Å
170	K	93.8	Very high	86.7	Confident	84 Å²	84	33.3 Å²	33.3	37%	0.365	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	133.9	-180	-68.9	-174.6	177.7	177.3	0	110.6	N167 E168 H172	N167-K170 WeakPolarHBondContact O-CB 3.43Å; N167-K170 PolarHBondContact O-N 3.29Å; E168-K170 VanDerWaalsContact C-N 3.29Å; E168-K170 PolarHBondContact O-N 3.4Å; K170-H172 PolarHBondContact O-N 3.31Å; K170-H172 VanDerWaalsContact O-N 3.09Å; K170-H172 PolarHBondContact O-ND1 2.81Å
171	N	95	Very high	86.1	Confident	7 Å²	7	40.3 Å²	40.3	4%	0.037	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	11.1	-176.3	-64.8	56.7	0	0	0	115.2	F76 N77 C134 I135 I136 G169	F76-N171 HydrophobicContact CE2-CB 4.44Å; N77-N171 WeakPolarHBondContact CB-OD1 3.46Å; N77-N171 PolarHBondContact N-OD1 3.29Å; N77-N171 PolarHBondContact O-ND2 2.91Å; C134-N171 WeakPolarHBondContact O-CB 3.26Å; C134-N171 PolarHBondContact O-ND2 3.42Å; I135-N171 WeakPolarHBondContact CA-O 3.48Å; I136-N171 PolarHBondContact N-O 3.5Å; G169-N171 PolarHBondContact O-N 2.8Å
172	H	96.2	Very high	85.8	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-92.6	144.1	173.1	-70.1	63.4	0	0	0	111.1	Y98 I136 S165 W166 G169 K170 A189 I190	Y98-H172 AromaticContact CE2-NE2 3.81Å; I136-H172 CarbonylContact O-C 3.46Å; I136-H172 VanDerWaalsContact O-CA 3.25Å; I136-H172 WeakPolarHBondContact O-CA 3.5Å; S165-H172 PolarHBondContact O-CE1 3.34Å; W166-H172 HydrophobicContact CE3-CB 4.44Å; W166-H172 AromaticContact CE3-CD2 3.6Å; W166-H172 AromaticContact CE3-CG 3.87Å; W166-H172 HydrophobicContact CZ3-CB 3.91Å; W166-H172 AromaticContact CZ3-CD2 3.8Å; W166-H172 AromaticContact CZ3-CG 3.84Å; G169-H172 WeakPolarHBondContact O-CB 3.43Å; G169-H172 PolarHBondContact O-N 3.1Å; K170-H172 PolarHBondContact O-N 3.31Å; K170-H172 VanDerWaalsContact O-N 3.09Å; K170-H172 PolarHBondContact O-ND1 2.81Å; H172-A189 HydrophobicContact CB-CB 4.1Å; H172-I190 PolarHBondContact O-N 3.5Å
173	L	96.5	Very high	85.6	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	116.5	174.9	171.8	68.3	0	0	0	109.8	I135 I136 I137 P138 I175 I190 A192 L402 L405	I135-L173 HydrophobicContact CG2-CB 3.74Å; I136-L173 PolarHBondContact O-N 2.84Å; I137-L173 HydrophobicContact CD1-CD2 3.99Å; I137-L173 HydrophobicContact CG1-CB 4.15Å; I137-L173 HydrophobicContact CG1-CD2 4.15Å; I137-L173 HydrophobicContact CG1-CG 4.5Å; P138-L173 WeakPolarHBondContact CD-O 3.04Å; L173-I175 HydrophobicContact CD2-CD1 4.09Å; L173-I175 HydrophobicContact CD2-CG1 4.29Å; L173-I175 HydrophobicContact CG-CD1 4.34Å; L173-I175 HydrophobicContact CG-CG1 4.02Å; L173-I190 WeakPolarHBondContact CA-O 3.46Å; L173-I190 HydrophobicContact CD1-CB 4.04Å; L173-I190 HydrophobicContact CD1-CG2 3.61Å; L173-A192 HydrophobicContact CD1-CB 3.84Å; L173-L402 HydrophobicContact CD2-CD2 4.39Å; L173-L405 HydrophobicContact CD1-CD1 4.37Å; L173-L405 HydrophobicContact CD2-CD1 3.73Å
174	I	93.8	Very high	85.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	133.7	173.6	-61.9	174.4	0	0	0	108.6	L142 L160 W166 L183 A189 I190 A192	L142-I174 HydrophobicContact CD1-CG2 3.85Å; L160-I174 HydrophobicContact CD1-CD1 4.01Å; W166-I174 HydrophobicContact CH2-CD1 4.18Å; I174-L183 HydrophobicContact CG2-CD2 4.02Å; I174-A189 HydrophobicContact CD1-CB 3.89Å; I174-A189 HydrophobicContact CG1-CB 4.12Å; I174-I190 PolarHBondContact N-O 3.29Å; I174-A192 PolarHBondContact O-N 2.88Å
175	I	93.7	Very high	85.4	Confident	13 Å²	13	39.2 Å²	39.2	7%	0.067	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	129	-176.5	-55.6	178.9	0	0	0	109.6	L116 L143 L173 A192 L209 I398	L116-I175 HydrophobicContact CD1-CB 4.11Å; L116-I175 HydrophobicContact CD1-CD1 3.95Å; L116-I175 HydrophobicContact CD1-CG2 3.75Å; L116-I175 HydrophobicContact CD2-CD1 4.46Å; L116-I175 HydrophobicContact CG-CD1 4.43Å; L143-I175 HydrophobicContact CD2-CG2 3.82Å; L173-I175 HydrophobicContact CD2-CD1 4.09Å; L173-I175 HydrophobicContact CD2-CG1 4.29Å; L173-I175 HydrophobicContact CG-CD1 4.34Å; L173-I175 HydrophobicContact CG-CG1 4.02Å; I175-A192 WeakPolarHBondContact CA-O 3.46Å; I175-A192 HydrophobicContact CG1-CB 4.31Å; I175-L209 HydrophobicContact CG2-CD1 3.78Å; I175-I398 HydrophobicContact CD1-CD1 3.94Å; I175-I398 HydrophobicContact CG2-CD1 4.17Å
176	N	88.8	Confident	85.4	Confident	3 Å²	3	37 Å²	37	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	134.4	-177.5	163.4	54.6	0	0	0	113.6	L142 L143 L178 L183 A192 S193 A194	L142-N176 VanDerWaalsContact O-CB 3.3Å; L142-N176 WeakPolarHBondContact O-CB 3.5Å; L142-N176 PolarHBondContact O-OD1 3.18Å; L143-N176 PolarHBondContact O-OD1 3.32Å; N176-L178 PolarHBondContact ND2-O 2.87Å; N176-L178 PolarHBondContact OD1-N 3.3Å; N176-L178 PolarHBondContact OD1-O 3.49Å; N176-L183 HydrophobicContact CB-CD1 3.88Å; N176-L183 VanDerWaalsContact CG-CD1 3.41Å; N176-L183 WeakPolarHBondContact ND2-CD1 3.48Å; N176-A192 PolarHBondContact N-O 3.47Å; N176-S193 PolarHBondContact ND2-OG 3.28Å; N176-S193 WeakPolarHBondContact O-CA 3.45Å; N176-S193 VanDerWaalsContact O-CB 3.28Å; N176-S193 WeakPolarHBondContact O-CB 3.23Å; N176-S193 PolarHBondContact O-OG 3.46Å; N176-A194 PolarHBondContact O-N 2.91Å
177	F	83.7	Confident	85.6	Confident	1 Å²	1	36.9 Å²	36.9	0%	0.004	18%	0.178	C	C	.	.	S	Bend	trans	-93.9	-17.7	177.5	-62.5	-51.8	0	0	0	115.1	L143 Y144 A194 L209 P210 F212 I394 I397	L143-F177 HydrophobicContact CB-CD2 4.11Å; L143-F177 HydrophobicContact CD1-CD2 4.48Å; L143-F177 HydrophobicContact CD1-CE2 4.11Å; L143-F177 HydrophobicContact CD2-CD2 3.94Å; L143-F177 HydrophobicContact CD2-CE2 3.77Å; L143-F177 HydrophobicContact CD2-CZ 4.38Å; L143-F177 HydrophobicContact CG-CD2 4.42Å; L143-F177 HydrophobicContact CG-CE2 4.37Å; L143-F177 WeakPolarHBondContact O-CA 3.21Å; L143-F177 WeakPolarHBondContact O-CB 3.42Å; L143-F177 PolarHBondContact O-N 2.84Å; Y144-F177 HydrophobicContact CE1-CB 4.23Å; Y144-F177 HydrophobicContact CE1-CD2 4.27Å; Y144-F177 HydrophobicContact CE2-CD2 4.36Å; Y144-F177 AromaticContact CZ-CD2 3.89Å; F177-A194 WeakPolarHBondContact O-CB 3.29Å; F177-L209 HydrophobicContact CD1-CB 4.19Å; F177-L209 HydrophobicContact CD1-CD1 4.16Å; F177-L209 HydrophobicContact CE1-CB 4.09Å; F177-L209 HydrophobicContact CE1-CD1 3.79Å; F177-P210 VanDerWaalsContact CD1-O 3.32Å; F177-P210 WeakPolarHBondContact CD1-O 3.39Å; F177-F212 HydrophobicContact CD2-CB 4.35Å; F177-F212 HydrophobicContact CE1-CB 4.39Å; F177-F212 HydrophobicContact CE2-CB 4.1Å; F177-F212 HydrophobicContact CZ-CB 4.13Å; F177-I394 HydrophobicContact CE2-CD1 3.36Å; F177-I394 HydrophobicContact CZ-CD1 3.52Å; F177-I397 HydrophobicContact CE1-CG2 4.23Å; F177-I397 HydrophobicContact CZ-CG2 4.46Å
178	L	71.4	Confident	85.8	Confident	9 Å²	9	32.3 Å²	32.3	5%	0.047	16%	0.155	C	C	.	.	S	Bend	trans	-125.8	139.8	-174.6	-80.6	-177.6	0	0	0	113.4	L143 Y144 N176 N180 N316 F320	L143-L178 PolarHBondContact O-N 3.2Å; Y144-L178 HydrophobicContact CD1-CD1 3.82Å; Y144-L178 HydrophobicContact CD1-CG 4.17Å; N176-L178 PolarHBondContact ND2-O 2.87Å; N176-L178 PolarHBondContact OD1-N 3.3Å; N176-L178 PolarHBondContact OD1-O 3.49Å; L178-N180 PolarHBondContact O-N 3.24Å; L178-N316 HydrophobicContact CD2-CB 3.95Å; L178-F320 HydrophobicContact CD1-CE2 4.4Å; L178-F320 HydrophobicContact CD1-CZ 4.07Å; L178-F320 HydrophobicContact CD2-CE2 3.45Å; L178-F320 VanDerWaalsContact CD2-CE2 3.45Å; L178-F320 HydrophobicContact CD2-CZ 3.44Å; L178-F320 VanDerWaalsContact CD2-CZ 3.44Å; L178-F320 HydrophobicContact CG-CE2 4.3Å; L178-F320 HydrophobicContact CG-CZ 3.86Å
179	S	67.9	Low	86	Confident	56 Å²	56	29.2 Å²	29.2	39%	0.392	14%	0.14	S	C	.	.			trans	-59.1	132	-178.5	80.3	0	0	0	0	111.1	S195 N316	S179-S195 VanDerWaalsContact CA-CB 3.42Å; S179-S195 VanDerWaalsContact CB-CB 3.46Å; S179-N316 VanDerWaalsContact CB-OD1 3.27Å; S179-N316 WeakPolarHBondContact CB-OD1 3.32Å; S179-N316 PolarHBondContact N-OD1 3.12Å; S179-N316 PolarHBondContact OG-ND2 3.06Å; S179-N316 PolarHBondContact OG-OD1 3Å
180	N	69.6	Low	86.2	Confident	23 Å²	23	29.4 Å²	29.4	12%	0.123	14%	0.141	C	C	.	.			trans	-136.1	129.2	171.7	-170.9	-58	0	0	0	109	I153 L178 K182 L183	I153-N180 WeakPolarHBondContact CD1-ND2 3.34Å; I153-N180 WeakPolarHBondContact CG2-ND2 3.27Å; L178-N180 PolarHBondContact O-N 3.24Å; N180-K182 PolarHBondContact O-N 3.18Å; N180-K182 VanDerWaalsContact OD1-CB 3.28Å; N180-K182 WeakPolarHBondContact OD1-CB 3.35Å; N180-K182 PolarHBondContact OD1-N 3.16Å; N180-L183 HydrophobicContact CB-CD1 3.85Å; N180-L183 HydrophobicContact CB-CG 4.06Å; N180-L183 WeakPolarHBondContact O-CB 3.43Å; N180-L183 PolarHBondContact O-N 3.4Å; N180-L183 VanDerWaalsContact O-N 3.1Å
181	E	72.5	Confident	86.2	Confident	148 Å²	148	25.8 Å²	25.8	69%	0.692	13%	0.126	S	C	*	.	G	3₁₀ helix	trans	-60	-28.5	-178.5	-59.6	-158.3	132.1	0	0	113.4	L183 K184	E181-L183 VanDerWaalsContact C-N 3.32Å; E181-L183 PolarHBondContact O-N 3.44Å; E181-K184 VanDerWaalsContact O-CB 3.28Å; E181-K184 WeakPolarHBondContact O-CB 3.44Å; E181-K184 VanDerWaalsContact O-CD 3.31Å; E181-K184 WeakPolarHBondContact O-CD 3.43Å; E181-K184 WeakPolarHBondContact O-CG 3.04Å; E181-K184 PolarHBondContact O-N 2.98Å
182	K	76.1	Confident	86.2	Confident	66 Å²	66	25.4 Å²	25.4	29%	0.287	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	-74.6	-18.9	179.7	-61.3	-68.1	-178.5	159.5	0	113.3	I153 D154 M157 N180 K184 Y185	I153-K182 HydrophobicContact CG2-CB 4.12Å; D154-K182 WeakPolarHBondContact OD1-CD 3.49Å; D154-K182 VanDerWaalsContact OD1-CE 3.27Å; D154-K182 WeakPolarHBondContact OD1-CE 3.44Å; D154-K182 IonicContact OD1-NZ 2.68Å; D154-K182 PolarHBondContact OD1-NZ 3.42Å; M157-K182 HydrophobicContact CG-CB 4.07Å; N180-K182 PolarHBondContact O-N 3.18Å; N180-K182 VanDerWaalsContact OD1-CB 3.28Å; N180-K182 WeakPolarHBondContact OD1-CB 3.35Å; N180-K182 PolarHBondContact OD1-N 3.16Å; K182-K184 PolarHBondContact O-N 3.09Å; K182-K184 VanDerWaalsContact O-N 3.12Å; K182-Y185 HydrophobicContact CD-CD2 4.47Å; K182-Y185 HydrophobicContact CD-CE2 4.44Å; K182-Y185 WeakPolarHBondContact O-CD2 3.2Å; K182-Y185 PolarHBondContact O-N 3.4Å
183	L	79.4	Confident	86	Confident	17 Å²	17	25.4 Å²	25.4	9%	0.089	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-65.3	-13.5	172.6	-69.8	166.6	0	0	0	113	M157 I174 N176 N180 E181 Y185 S186	M157-L183 HydrophobicContact SD-CD2 4.07Å; I174-L183 HydrophobicContact CG2-CD2 4.02Å; N176-L183 HydrophobicContact CB-CD1 3.88Å; N176-L183 VanDerWaalsContact CG-CD1 3.41Å; N176-L183 WeakPolarHBondContact ND2-CD1 3.48Å; N180-L183 HydrophobicContact CB-CD1 3.85Å; N180-L183 HydrophobicContact CB-CG 4.06Å; N180-L183 WeakPolarHBondContact O-CB 3.43Å; N180-L183 PolarHBondContact O-N 3.4Å; N180-L183 VanDerWaalsContact O-N 3.1Å; E181-L183 VanDerWaalsContact C-N 3.32Å; E181-L183 PolarHBondContact O-N 3.44Å; L183-Y185 PolarHBondContact O-N 3.23Å; L183-S186 WeakPolarHBondContact O-CB 3.33Å; L183-S186 PolarHBondContact O-N 3.39Å; L183-S186 PolarHBondContact O-OG 2.86Å
184	K	82.1	Confident	85.6	Confident	90 Å²	90	25.5 Å²	25.5	39%	0.391	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-61.1	-17.7	168.4	-63.3	172.2	-176.9	169.3	0	112.5	Y65 I66 E181 K182 S186	Y65-K184 CarbonylContact C-O 3.58Å; Y65-K184 WeakPolarHBondContact CA-O 3.39Å; Y65-K184 HydrophobicContact CD2-CB 4.18Å; Y65-K184 HydrophobicContact CE2-CB 3.53Å; Y65-K184 HydrophobicContact CE2-CD 4.14Å; Y65-K184 HydrophobicContact CE2-CG 4.29Å; I66-K184 WeakPolarHBondContact CB-O 3.31Å; I66-K184 PolarHBondContact N-O 2.84Å; E181-K184 VanDerWaalsContact O-CB 3.28Å; E181-K184 WeakPolarHBondContact O-CB 3.44Å; E181-K184 VanDerWaalsContact O-CD 3.31Å; E181-K184 WeakPolarHBondContact O-CD 3.43Å; E181-K184 WeakPolarHBondContact O-CG 3.04Å; E181-K184 PolarHBondContact O-N 2.98Å; K182-K184 PolarHBondContact O-N 3.09Å; K182-K184 VanDerWaalsContact O-N 3.12Å; K184-S186 VanDerWaalsContact C-N 3.35Å; K184-S186 PolarHBondContact O-N 3.36Å
185	Y	85.2	Confident	84.9	Confident	78 Å²	78	26.7 Å²	26.7	31%	0.306	13%	0.133	S	C	.	.			trans	-96.2	49.9	174.8	-61	-82.5	0	0	0	111.9	L62 P63 L64 Y65 M157 K182 L183	L62-Y185 HydrophobicContact CB-CD1 4.3Å; L62-Y185 HydrophobicContact CB-CG 4.46Å; L62-Y185 HydrophobicContact CD1-CD2 4.44Å; L62-Y185 HydrophobicContact CD1-CE2 4.37Å; L62-Y185 HydrophobicContact CD2-CG 4.47Å; P63-Y185 WeakPolarHBondContact CB-O 3.38Å; P63-Y185 WeakPolarHBondContact CG-O 3.48Å; P63-Y185 WeakPolarHBondContact O-CD1 3.44Å; L64-Y185 CarbonylContact O-C 3.57Å; L64-Y185 WeakPolarHBondContact O-CA 3.47Å; Y65-Y185 HydrophobicContact CD2-CD1 4.43Å; Y65-Y185 HydrophobicContact CD2-CE1 4.18Å; M157-Y185 WeakPolarHBondContact CE-O 3.33Å; K182-Y185 HydrophobicContact CD-CD2 4.47Å; K182-Y185 HydrophobicContact CD-CE2 4.44Å; K182-Y185 WeakPolarHBondContact O-CD2 3.2Å; K182-Y185 PolarHBondContact O-N 3.4Å; L183-Y185 PolarHBondContact O-N 3.23Å
186	S	88	Confident	84.5	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.132	C	C	.	.			trans	-100.9	4.2	179.6	42.8	0	0	0	0	113.6	L183 K184 S188 A189	L183-S186 WeakPolarHBondContact O-CB 3.33Å; L183-S186 PolarHBondContact O-N 3.39Å; L183-S186 PolarHBondContact O-OG 2.86Å; K184-S186 VanDerWaalsContact C-N 3.35Å; K184-S186 PolarHBondContact O-N 3.36Å; S186-S188 PolarHBondContact O-N 3.46Å; S186-S188 VanDerWaalsContact O-N 3.17Å; S186-A189 VanDerWaalsContact O-CB 3.27Å; S186-A189 WeakPolarHBondContact O-CB 3.35Å; S186-A189 PolarHBondContact O-N 3.02Å
187	A	91.1	Very high	83.9	Confident	3 Å²	3	28.7 Å²	28.7	3%	0.025	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	-117.4	-179.1	0	0	0	0	0	112.7	L64 I66 N67 E168	L64-A187 HydrophobicContact CB-CB 4.04Å; L64-A187 WeakPolarHBondContact O-CA 3.26Å; L64-A187 PolarHBondContact O-N 2.76Å; I66-A187 WeakPolarHBondContact CA-O 3.24Å; N67-A187 PolarHBondContact N-O 3.25Å; E168-A187 HydrophobicContact CB-CB 4.47Å; E168-A187 WeakPolarHBondContact O-CB 3.37Å
188	S	94.2	Very high	83.7	Confident	14 Å²	14	31.3 Å²	31.3	10%	0.098	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	14	179.5	-50.8	0	0	0	0	113.6	E168 G169 S186 F205	E168-S188 WeakPolarHBondContact O-CA 3.33Å; E168-S188 WeakPolarHBondContact O-CB 3.48Å; E168-S188 PolarHBondContact O-N 2.91Å; E168-S188 PolarHBondContact O-OG 2.96Å; G169-S188 CarbonylContact O-C 3.5Å; S186-S188 PolarHBondContact O-N 3.46Å; S186-S188 VanDerWaalsContact O-N 3.17Å; S188-F205 WeakPolarHBondContact O-CZ 3.42Å
189	A	94.8	Very high	83.9	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.199	C	C	.	.			trans	-69.7	147.5	177.8	0	0	0	0	0	112	W166 G169 H172 I174 S186 R202	W166-A189 HydrophobicContact CH2-CB 4.26Å; G169-A189 WeakPolarHBondContact O-CA 3.36Å; G169-A189 PolarHBondContact O-N 2.63Å; H172-A189 HydrophobicContact CB-CB 4.1Å; I174-A189 HydrophobicContact CD1-CB 3.89Å; I174-A189 HydrophobicContact CG1-CB 4.12Å; S186-A189 VanDerWaalsContact O-CB 3.27Å; S186-A189 WeakPolarHBondContact O-CB 3.35Å; S186-A189 PolarHBondContact O-N 3.02Å; A189-R202 PolarHBondContact O-NH2 2.93Å
190	I	95.5	Very high	84.5	Confident	4 Å²	4	38.4 Å²	38.4	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	127.5	167.3	-62.1	169	0	0	0	107.4	F76 H172 L173 I174 F205 L405	F76-I190 HydrophobicContact CD2-CD1 3.89Å; F76-I190 HydrophobicContact CE2-CD1 4.05Å; H172-I190 PolarHBondContact O-N 3.5Å; L173-I190 WeakPolarHBondContact CA-O 3.46Å; L173-I190 HydrophobicContact CD1-CB 4.04Å; L173-I190 HydrophobicContact CD1-CG2 3.61Å; I174-I190 PolarHBondContact N-O 3.29Å; I190-F205 HydrophobicContact CG1-CD1 4.5Å; I190-F205 HydrophobicContact CG1-CE1 4.02Å; I190-F205 HydrophobicContact CG1-CE2 4.2Å; I190-F205 HydrophobicContact CG1-CZ 3.86Å; I190-F205 WeakPolarHBondContact CG2-O 3.31Å; I190-L405 HydrophobicContact CD1-CD2 4.04Å
191	V	93.8	Very high	85.3	Confident	8 Å²	8	39.2 Å²	39.2	5%	0.048	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	106.8	178.5	-178.7	0	0	0	0	108.7	H196 D206 I207	V191-H196 PolarHBondContact O-NE2 3.41Å; V191-D206 PolarHBondContact N-OD1 2.78Å; V191-D206 WeakPolarHBondContact O-CB 3.45Å; V191-I207 PolarHBondContact O-N 3.35Å
192	A	95.5	Very high	86.1	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	103.2	168	0	0	0	0	0	108.6	L173 I174 I175 N176 I207 L209 T401	L173-A192 HydrophobicContact CD1-CB 3.84Å; I174-A192 PolarHBondContact O-N 2.88Å; I175-A192 WeakPolarHBondContact CA-O 3.46Å; I175-A192 HydrophobicContact CG1-CB 4.31Å; N176-A192 PolarHBondContact N-O 3.47Å; A192-I207 CarbonylContact C-O 3.55Å; A192-I207 WeakPolarHBondContact CA-O 3.49Å; A192-I207 HydrophobicContact CB-CB 4.09Å; A192-L209 HydrophobicContact CB-CD1 3.9Å; A192-L209 HydrophobicContact CB-CD2 4.13Å; A192-L209 HydrophobicContact CB-CG 4.05Å; A192-L209 WeakPolarHBondContact O-CD1 3.12Å; A192-T401 HydrophobicContact CB-CG2 4.12Å
193	S	91.8	Very high	86.4	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	145.2	-178.1	-172.8	0	0	0	0	115.5	N176 S195 H196 I207 V208 L209	N176-S193 PolarHBondContact ND2-OG 3.28Å; N176-S193 WeakPolarHBondContact O-CA 3.45Å; N176-S193 VanDerWaalsContact O-CB 3.28Å; N176-S193 WeakPolarHBondContact O-CB 3.23Å; N176-S193 PolarHBondContact O-OG 3.46Å; S193-S195 PolarHBondContact O-N 3.43Å; S193-S195 PolarHBondContact OG-N 3.1Å; S193-S195 VanDerWaalsContact OG-N 3.11Å; S193-S195 PolarHBondContact OG-OG 3.35Å; S193-H196 PolarHBondContact O-CD2 3.24Å; S193-I207 PolarHBondContact N-O 3.43Å; S193-V208 WeakPolarHBondContact O-CA 3.23Å; S193-L209 PolarHBondContact O-N 3.07Å; S193-L209 VanDerWaalsContact O-N 3.13Å
194	A	87.9	Confident	86.5	Confident	3 Å²	3	35.8 Å²	35.8	3%	0.025	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.7	170.5	0	0	0	0	0	112.7	N176 F177 L209 A211 R319	N176-A194 PolarHBondContact O-N 2.91Å; F177-A194 WeakPolarHBondContact O-CB 3.29Å; A194-L209 WeakPolarHBondContact CA-O 3.41Å; A194-L209 HydrophobicContact CB-CB 4.35Å; A194-L209 WeakPolarHBondContact CB-O 3.42Å; A194-A211 HydrophobicContact CB-CB 3.86Å; A194-R319 VanDerWaalsContact O-CD 3.24Å; A194-R319 WeakPolarHBondContact O-CD 3.21Å; A194-R319 PolarHBondContact O-NH1 3.33Å
195	S	80.1	Confident	86.9	Confident	24 Å²	24	31.6 Å²	31.6	17%	0.168	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	1.2	-173.8	64.2	0	0	0	0	115.9	S179 S193	S179-S195 VanDerWaalsContact CA-CB 3.42Å; S179-S195 VanDerWaalsContact CB-CB 3.46Å; S193-S195 PolarHBondContact O-N 3.43Å; S193-S195 PolarHBondContact OG-N 3.1Å; S193-S195 VanDerWaalsContact OG-N 3.11Å; S193-S195 PolarHBondContact OG-OG 3.35Å
196	H	84.6	Confident	87.3	Confident	8 Å²	8	27.9 Å²	27.9	4%	0.037	16%	0.162	C	C	.	.			trans	-60.7	138.8	-178.2	-83	-56.7	0	0	0	112.9	V191 S193 T200 F201 D206 V208 R319	V191-H196 PolarHBondContact O-NE2 3.41Å; S193-H196 PolarHBondContact O-CD2 3.24Å; H196-T200 PolarHBondContact ND1-OG1 3.4Å; H196-F201 HydrophobicContact CB-CB 4.07Å; H196-F201 HydrophobicContact CB-CD2 4.2Å; H196-F201 HydrophobicContact CB-CG 4.49Å; H196-F201 AromaticContact CG-CD2 3.94Å; H196-D206 IonicContact CE1-OD2 2.98Å; H196-V208 HydrophobicContact CB-CG2 3.85Å; H196-R319 PolarHBondContact O-NH1 3.15Å; H196-R319 PolarHBondContact O-NH2 2.89Å
197	T	77.8	Confident	87.6	Confident	50 Å²	50	28.1 Å²	28.1	31%	0.307	16%	0.164	S	C	.	.	B	Isolated β-bridge	trans	-114	167.9	169.3	67.6	0	0	0	0	110.1	L199 T200 F201	T197-L199 PolarHBondContact O-N 3.19Å; T197-L199 PolarHBondContact OG1-N 2.67Å; T197-T200 PolarHBondContact N-OG1 3.31Å; T197-T200 PolarHBondContact O-N 3.19Å; T197-T200 VanDerWaalsContact O-N 3.12Å; T197-T200 PolarHBondContact O-OG1 3.31Å; T197-T200 PolarHBondContact OG1-N 2.93Å; T197-T200 PolarHBondContact OG1-OG1 2.93Å; T197-F201 WeakPolarHBondContact O-CB 3.41Å; T197-F201 PolarHBondContact O-N 3.49Å
198	S	77.6	Confident	87.7	Confident	56 Å²	56	28.2 Å²	28.2	39%	0.392	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-27.1	172.8	56.7	0	0	0	0	113.7	D338	S198-D338 PolarHBondContact N-O 3.43Å; S198-D338 VanDerWaalsContact N-O 3.16Å; S198-D338 PolarHBondContact OG-OD1 2.86Å
199	L	77.4	Confident	87.7	Confident	147 Å²	147	27.6 Å²	27.6	77%	0.77	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-26.6	-178.9	-62.5	176.4	0	0	0	114.6	T197	T197-L199 PolarHBondContact O-N 3.19Å; T197-L199 PolarHBondContact OG1-N 2.67Å
200	T	80.7	Confident	87.7	Confident	68 Å²	68	27.8 Å²	27.8	42%	0.417	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-27.6	-177.2	65	0	0	0	0	112.8	H196 T197 R202	H196-T200 PolarHBondContact ND1-OG1 3.4Å; T197-T200 PolarHBondContact N-OG1 3.31Å; T197-T200 PolarHBondContact O-N 3.19Å; T197-T200 VanDerWaalsContact O-N 3.12Å; T197-T200 PolarHBondContact O-OG1 3.31Å; T197-T200 PolarHBondContact OG1-N 2.93Å; T197-T200 PolarHBondContact OG1-OG1 2.93Å; T200-R202 PolarHBondContact O-N 2.98Å
201	F	86.2	Confident	87.3	Confident	40 Å²	40	27.7 Å²	27.7	18%	0.175	16%	0.161	C	C	.	.			trans	-70.8	116.9	-175	-180	-120.6	0	0	0	111.2	H196 T197 S203 D206 V208 V340	H196-F201 HydrophobicContact CB-CB 4.07Å; H196-F201 HydrophobicContact CB-CD2 4.2Å; H196-F201 HydrophobicContact CB-CG 4.49Å; H196-F201 AromaticContact CG-CD2 3.94Å; T197-F201 WeakPolarHBondContact O-CB 3.41Å; T197-F201 PolarHBondContact O-N 3.49Å; F201-S203 PolarHBondContact O-N 3.22Å; F201-D206 HydrophobicContact CD2-CB 3.78Å; F201-D206 HydrophobicContact CE2-CB 3.79Å; F201-V208 HydrophobicContact CD2-CG2 3.62Å; F201-V208 HydrophobicContact CE2-CG2 3.55Å; F201-V208 HydrophobicContact CG-CG2 4.28Å; F201-V208 HydrophobicContact CZ-CG2 4.13Å; F201-V340 HydrophobicContact CB-CG2 4.02Å; F201-V340 HydrophobicContact CD1-CB 4.4Å; F201-V340 HydrophobicContact CD1-CG1 3.69Å; F201-V340 HydrophobicContact CD1-CG2 3.98Å; F201-V340 HydrophobicContact CE1-CG1 3.78Å; F201-V340 HydrophobicContact CG-CG1 4.08Å; F201-V340 HydrophobicContact CG-CG2 4.17Å; F201-V340 HydrophobicContact CZ-CG1 4.27Å
202	R	88.5	Confident	87.2	Confident	13 Å²	13	28.6 Å²	28.6	5%	0.049	16%	0.164	C	C	.	.			trans	-86.5	98.2	171.8	-60.7	170.5	-68.6	-178.6	2.7	108.8	N67 A189 T200 K204 F205 D206	N67-R202 WeakPolarHBondContact O-CD 3.4Å; N67-R202 PolarHBondContact O-NH1 2.81Å; A189-R202 PolarHBondContact O-NH2 2.93Å; T200-R202 PolarHBondContact O-N 2.98Å; R202-K204 PolarHBondContact O-N 2.8Å; R202-F205 HydrophobicContact CB-CB 3.94Å; R202-F205 HydrophobicContact CB-CD1 4.26Å; R202-F205 VanDerWaalsContact CZ-CD1 3.5Å; R202-F205 VanDerWaalsContact CZ-CE1 3.44Å; R202-F205 WeakPolarHBondContact O-CB 3.45Å; R202-F205 PolarHBondContact O-N 3.03Å; R202-D206 WeakPolarHBondContact CB-OD2 3.23Å; R202-D206 IonicContact CZ-OD1 2.64Å; R202-D206 IonicContact CZ-OD2 3.62Å; R202-D206 PolarHBondContact N-OD2 3.26Å; R202-D206 VanDerWaalsContact N-OD2 3.13Å; R202-D206 IonicContact NE-OD1 3.48Å; R202-D206 PolarHBondContact NE-OD1 3.3Å; R202-D206 IonicContact NE-OD2 2.74Å; R202-D206 PolarHBondContact NE-OD2 2.86Å; R202-D206 IonicContact NH2-OD1 2.76Å; R202-D206 PolarHBondContact NH2-OD1 3.15Å; R202-D206 IonicContact NH2-OD2 3.89Å; R202-D206 PolarHBondContact NH2-OD2 3.06Å; R202-D206 PolarHBondContact O-N 3.12Å
203	S	82.4	Confident	86.8	Confident	89 Å²	89	28.7 Å²	28.7	62%	0.622	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.8	136.7	-177.6	-171.8	0	0	0	0	112.1	F201 F205	F201-S203 PolarHBondContact O-N 3.22Å; S203-F205 PolarHBondContact O-N 3.35Å
204	K	81.9	Confident	86.4	Confident	57 Å²	57	31 Å²	31	25%	0.248	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	-0.3	-176.2	-60.4	-63.8	-157.8	164.2	0	115.9	R202 E345 R408	R202-K204 PolarHBondContact O-N 2.8Å; K204-E345 HydrophobicContact CD-CG 3.91Å; K204-E345 WeakPolarHBondContact CD-OE1 3.35Å; K204-E345 WeakPolarHBondContact CD-OE2 3.44Å; K204-E345 WeakPolarHBondContact CE-OE1 3.27Å; K204-E345 IonicContact NZ-OE1 2.89Å; K204-E345 PolarHBondContact NZ-OE1 3.47Å; K204-R408 PolarHBondContact O-NE 2.97Å; K204-R408 PolarHBondContact O-NH1 3.45Å
205	F	90	Very high	86.2	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.009	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-58	175.6	-172.8	-99.2	0	0	0	110.4	C70 T71 C75 F76 S188 I190 R202 S203 R408	C70-F205 HydrophobicContact CB-CD1 4.01Å; C70-F205 HydrophobicContact CB-CD2 4.47Å; C70-F205 HydrophobicContact CB-CE1 3.81Å; C70-F205 HydrophobicContact CB-CE2 4.28Å; C70-F205 HydrophobicContact CB-CG 4.33Å; C70-F205 HydrophobicContact CB-CZ 3.96Å; T71-F205 VanDerWaalsContact C-CD2 3.5Å; C75-F205 HydrophobicContact CB-CE2 3.75Å; C75-F205 HydrophobicContact CB-CZ 3.67Å; F76-F205 HydrophobicContact CB-CE2 4.09Å; S188-F205 WeakPolarHBondContact O-CZ 3.42Å; I190-F205 HydrophobicContact CG1-CD1 4.5Å; I190-F205 HydrophobicContact CG1-CE1 4.02Å; I190-F205 HydrophobicContact CG1-CE2 4.2Å; I190-F205 HydrophobicContact CG1-CZ 3.86Å; I190-F205 WeakPolarHBondContact CG2-O 3.31Å; R202-F205 HydrophobicContact CB-CB 3.94Å; R202-F205 HydrophobicContact CB-CD1 4.26Å; R202-F205 VanDerWaalsContact CZ-CD1 3.5Å; R202-F205 VanDerWaalsContact CZ-CE1 3.44Å; R202-F205 WeakPolarHBondContact O-CB 3.45Å; R202-F205 PolarHBondContact O-N 3.03Å; S203-F205 PolarHBondContact O-N 3.35Å; F205-R408 PolarHBondContact O-NH1 3.26Å
206	D	93.6	Very high	86.4	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-77.8	169.9	174.4	-70.9	-33.1	0	0	0	112.1	V191 H196 F201 R202 R408	V191-D206 PolarHBondContact N-OD1 2.78Å; V191-D206 WeakPolarHBondContact O-CB 3.45Å; H196-D206 IonicContact CE1-OD2 2.98Å; F201-D206 HydrophobicContact CD2-CB 3.78Å; F201-D206 HydrophobicContact CE2-CB 3.79Å; R202-D206 WeakPolarHBondContact CB-OD2 3.23Å; R202-D206 IonicContact CZ-OD1 2.64Å; R202-D206 IonicContact CZ-OD2 3.62Å; R202-D206 PolarHBondContact N-OD2 3.26Å; R202-D206 VanDerWaalsContact N-OD2 3.13Å; R202-D206 IonicContact NE-OD1 3.48Å; R202-D206 PolarHBondContact NE-OD1 3.3Å; R202-D206 IonicContact NE-OD2 2.74Å; R202-D206 PolarHBondContact NE-OD2 2.86Å; R202-D206 IonicContact NH2-OD1 2.76Å; R202-D206 PolarHBondContact NH2-OD1 3.15Å; R202-D206 IonicContact NH2-OD2 3.89Å; R202-D206 PolarHBondContact NH2-OD2 3.06Å; R202-D206 PolarHBondContact O-N 3.12Å; D206-R408 PolarHBondContact O-NH2 3.12Å
207	I	94.4	Very high	86.3	Confident	5 Å²	5	37 Å²	37	3%	0.026	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	130.1	176.3	-59.3	176.6	0	0	0	108.7	V191 A192 S193 L209 F343 T401 I404 L405	V191-I207 PolarHBondContact O-N 3.35Å; A192-I207 CarbonylContact C-O 3.55Å; A192-I207 WeakPolarHBondContact CA-O 3.49Å; A192-I207 HydrophobicContact CB-CB 4.09Å; S193-I207 PolarHBondContact N-O 3.43Å; I207-L209 HydrophobicContact CG2-CD2 4.05Å; I207-F343 HydrophobicContact CG2-CD1 3.8Å; I207-F343 HydrophobicContact CG2-CE1 3.73Å; I207-T401 HydrophobicContact CD1-CG2 3.69Å; I207-T401 HydrophobicContact CG2-CG2 4.3Å; I207-I404 HydrophobicContact CD1-CB 4.37Å; I207-I404 HydrophobicContact CD1-CG2 4.03Å; I207-I404 HydrophobicContact CG1-CG2 4.36Å; I207-I404 HydrophobicContact CG2-CD1 4.32Å; I207-L405 HydrophobicContact CD1-CD1 4.23Å; I207-L405 HydrophobicContact CD1-CD2 3.73Å; I207-L405 HydrophobicContact CD1-CG 3.67Å
208	V	92.6	Very high	86.4	Confident	4 Å²	4	36.8 Å²	36.8	2%	0.024	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	122.8	173.4	-172.5	0	0	0	0	109.7	S193 H196 F201 V340 P342 F343	S193-V208 WeakPolarHBondContact O-CA 3.23Å; H196-V208 HydrophobicContact CB-CG2 3.85Å; F201-V208 HydrophobicContact CD2-CG2 3.62Å; F201-V208 HydrophobicContact CE2-CG2 3.55Å; F201-V208 HydrophobicContact CG-CG2 4.28Å; F201-V208 HydrophobicContact CZ-CG2 4.13Å; V208-V340 HydrophobicContact CB-CG1 4.41Å; V208-V340 HydrophobicContact CG2-CB 3.95Å; V208-V340 HydrophobicContact CG2-CG1 3.44Å; V208-V340 VanDerWaalsContact CG2-CG1 3.44Å; V208-P342 WeakPolarHBondContact O-CA 3.18Å; V208-F343 VanDerWaalsContact O-CD1 3.31Å; V208-F343 WeakPolarHBondContact O-CD1 3.48Å; V208-F343 PolarHBondContact O-N 2.94Å
209	L	95.1	Very high	86.1	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.01	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-95.4	153.6	-179.9	-58.8	-177.4	0	0	0	111.3	I175 F177 A192 S193 A194 I207 F343 I397 T401	I175-L209 HydrophobicContact CG2-CD1 3.78Å; F177-L209 HydrophobicContact CD1-CB 4.19Å; F177-L209 HydrophobicContact CD1-CD1 4.16Å; F177-L209 HydrophobicContact CE1-CB 4.09Å; F177-L209 HydrophobicContact CE1-CD1 3.79Å; A192-L209 HydrophobicContact CB-CD1 3.9Å; A192-L209 HydrophobicContact CB-CD2 4.13Å; A192-L209 HydrophobicContact CB-CG 4.05Å; A192-L209 WeakPolarHBondContact O-CD1 3.12Å; S193-L209 PolarHBondContact O-N 3.07Å; S193-L209 VanDerWaalsContact O-N 3.13Å; A194-L209 WeakPolarHBondContact CA-O 3.41Å; A194-L209 HydrophobicContact CB-CB 4.35Å; A194-L209 WeakPolarHBondContact CB-O 3.42Å; I207-L209 HydrophobicContact CG2-CD2 4.05Å; L209-F343 HydrophobicContact CD2-CE1 3.61Å; L209-F343 HydrophobicContact CD2-CZ 4Å; L209-I397 HydrophobicContact CD2-CG2 4.2Å; L209-T401 HydrophobicContact CD2-CG2 4.36Å; L209-T401 VanDerWaalsContact CD2-OG1 3.25Å; L209-T401 WeakPolarHBondContact CD2-OG1 3.34Å
210	P	93.6	Very high	85.5	Confident	3 Å²	3	38 Å²	38	2%	0.019	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-66.8	140	162	31	-36.5	0	0	0	109.5	F177 F212 Y323 P342 F391 I397	F177-P210 VanDerWaalsContact CD1-O 3.32Å; F177-P210 WeakPolarHBondContact CD1-O 3.39Å; P210-F212 VanDerWaalsContact C-N 3.34Å; P210-F212 PolarHBondContact O-N 3.47Å; P210-Y323 HydrophobicContact CB-CD2 3.97Å; P210-P342 HydrophobicContact CB-CB 4.14Å; P210-P342 HydrophobicContact CB-CG 4.26Å; P210-F391 HydrophobicContact CB-CD1 3.93Å; P210-F391 HydrophobicContact CB-CE1 4.05Å; P210-F391 HydrophobicContact CB-CG 4.23Å; P210-F391 HydrophobicContact CG-CD1 3.53Å; P210-F391 HydrophobicContact CG-CE1 3.8Å; P210-F391 HydrophobicContact CG-CG 4.2Å; P210-I397 HydrophobicContact CG-CB 4.48Å; P210-I397 HydrophobicContact CG-CD1 3.65Å; P210-I397 HydrophobicContact CG-CG1 3.64Å; P210-I397 HydrophobicContact CG-CG2 4.01Å
211	A	88.6	Confident	84	Confident	3 Å²	3	42 Å²	42	3%	0.025	22%	0.223	C	C	.	.			trans	-75.1	88.8	174	0	0	0	0	0	109	A194 N213 R319 F320 Y323	A194-A211 HydrophobicContact CB-CB 3.86Å; A211-N213 PolarHBondContact O-N 2.93Å; A211-N213 VanDerWaalsContact O-N 3.15Å; A211-R319 HydrophobicContact CB-CB 3.93Å; A211-F320 HydrophobicContact CB-CD1 3.69Å; A211-F320 HydrophobicContact CB-CE1 3.9Å; A211-F320 HydrophobicContact CB-CG 4.3Å; A211-F320 WeakPolarHBondContact O-CD1 3.31Å; A211-Y323 VanDerWaalsContact O-CB 3.24Å; A211-Y323 WeakPolarHBondContact O-CB 3.38Å; A211-Y323 VanDerWaalsContact O-CG 3.25Å
212	F	90.7	Very high	82.3	Confident	26 Å²	26	45 Å²	45	11%	0.114	25%	0.247	C	C	.	.			trans	-60.5	118	-176.4	179.5	-100	0	0	0	110.8	Q112 Y144 F177 P210 P214 Y323 I394 I397	Q112-F212 HydrophobicContact CG-CD1 4.37Å; Q112-F212 HydrophobicContact CG-CE1 4.21Å; Y144-F212 PolarHBondContact OH-O 2.85Å; F177-F212 HydrophobicContact CD2-CB 4.35Å; F177-F212 HydrophobicContact CE1-CB 4.39Å; F177-F212 HydrophobicContact CE2-CB 4.1Å; F177-F212 HydrophobicContact CZ-CB 4.13Å; P210-F212 VanDerWaalsContact C-N 3.34Å; P210-F212 PolarHBondContact O-N 3.47Å; F212-P214 HydrophobicContact CD1-CB 4.49Å; F212-P214 HydrophobicContact CE1-CB 3.81Å; F212-P214 HydrophobicContact CE1-CG 4.35Å; F212-P214 HydrophobicContact CZ-CB 4.49Å; F212-P214 WeakPolarHBondContact O-CD 3.21Å; F212-Y323 HydrophobicContact CD2-CE1 4.47Å; F212-Y323 HydrophobicContact CD2-CE2 4.06Å; F212-Y323 AromaticContact CD2-CZ 3.66Å; F212-Y323 WeakPolarHBondContact CD2-OH 3.48Å; F212-Y323 WeakPolarHBondContact CE2-OH 3.28Å; F212-I394 HydrophobicContact CB-CD1 3.92Å; F212-I394 HydrophobicContact CD1-CD1 3.48Å; F212-I394 VanDerWaalsContact CD1-CD1 3.48Å; F212-I394 HydrophobicContact CD1-CG1 3.92Å; F212-I394 HydrophobicContact CD2-CD1 4.21Å; F212-I394 HydrophobicContact CE1-CD1 3.99Å; F212-I394 HydrophobicContact CE1-CG1 3.88Å; F212-I394 HydrophobicContact CG-CD1 3.6Å; F212-I394 HydrophobicContact CG-CG1 4.26Å; F212-I394 HydrophobicContact CZ-CG1 4.23Å; F212-I397 HydrophobicContact CB-CD1 3.9Å; F212-I397 HydrophobicContact CD2-CD1 3.81Å; F212-I397 HydrophobicContact CG-CD1 4.21Å
213	N	86.7	Confident	80.4	Confident	2 Å²	2	47 Å²	47	1%	0.011	26%	0.257	C	S	.	.			trans	-105.2	107.1	176.4	-176.4	8.6	0	0	0	110.5	A211 L215 I216 Y277 F320 Y323 D324	A211-N213 PolarHBondContact O-N 2.93Å; A211-N213 VanDerWaalsContact O-N 3.15Å; N213-L215 VanDerWaalsContact C-N 3.26Å; N213-L215 PolarHBondContact O-N 3.46Å; N213-L215 WeakPolarHBondContact OD1-CB 3.44Å; N213-L215 PolarHBondContact OD1-N 2.83Å; N213-I216 WeakPolarHBondContact O-CG2 3.28Å; N213-Y277 PolarHBondContact ND2-OH 2.81Å; N213-F320 HydrophobicContact CB-CD1 3.93Å; N213-Y323 HydrophobicContact CB-CD1 3.67Å; N213-Y323 HydrophobicContact CB-CE1 3.94Å; N213-D324 WeakPolarHBondContact CB-OD1 3.4Å; N213-D324 PolarHBondContact ND2-OD1 2.67Å; N213-D324 PolarHBondContact ND2-OD2 3.36Å
214	P	84.2	Confident	78.6	Confident	48 Å²	48	51.3 Å²	51.3	31%	0.312	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-9.9	177	27.9	-32.8	0	0	0	114	M43 F212	M43-P214 HydrophobicContact CE-CB 4.14Å; M43-P214 HydrophobicContact CE-CG 3.13Å; M43-P214 HydrophobicContact SD-CG 3.99Å; F212-P214 HydrophobicContact CD1-CB 4.49Å; F212-P214 HydrophobicContact CE1-CB 3.81Å; F212-P214 HydrophobicContact CE1-CG 4.35Å; F212-P214 HydrophobicContact CZ-CB 4.49Å; F212-P214 WeakPolarHBondContact O-CD 3.21Å
215	L	83.6	Confident	77.1	Confident	53 Å²	53	51.9 Å²	51.9	28%	0.277	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-11.8	-176.5	-57.8	175	0	0	0	113.2	L40 N213 Y277	L40-L215 HydrophobicContact CG-CD1 4.32Å; N213-L215 VanDerWaalsContact C-N 3.26Å; N213-L215 PolarHBondContact O-N 3.46Å; N213-L215 WeakPolarHBondContact OD1-CB 3.44Å; N213-L215 PolarHBondContact OD1-N 2.83Å; L215-Y277 HydrophobicContact CB-CD1 3.7Å; L215-Y277 HydrophobicContact CB-CD2 3.73Å; L215-Y277 HydrophobicContact CB-CE1 4.1Å; L215-Y277 HydrophobicContact CB-CE2 4.09Å; L215-Y277 HydrophobicContact CB-CG 3.56Å; L215-Y277 HydrophobicContact CD1-CD2 3.39Å; L215-Y277 HydrophobicContact CD1-CE2 4.04Å; L215-Y277 HydrophobicContact CD1-CG 3.87Å; L215-Y277 HydrophobicContact CG-CD2 4.21Å; L215-Y277 HydrophobicContact CG-CG 4.33Å
216	I	84.8	Confident	75.2	Confident	21 Å²	21	56 Å²	56	11%	0.108	31%	0.305	C	S	.	.			trans	-73.1	129.6	-180	-167.5	64.3	0	0	0	111	N213 V218 Y299 L303 Y323 D324	N213-I216 WeakPolarHBondContact O-CG2 3.28Å; I216-V218 HydrophobicContact CG2-CG2 4.33Å; I216-Y299 HydrophobicContact CD1-CD1 4.14Å; I216-Y299 HydrophobicContact CD1-CE1 3.81Å; I216-L303 HydrophobicContact CD1-CD2 3.94Å; I216-Y323 HydrophobicContact CG2-CE1 4.08Å; I216-D324 HydrophobicContact CD1-CB 4.03Å; I216-D324 HydrophobicContact CG1-CB 4.22Å
217	N	81	Confident	73.2	Confident	87 Å²	87	65.2 Å²	65.2	47%	0.465	34%	0.34	S	S	.	.			trans	-98.3	97.4	174.6	-174.1	15.8	0	0	0	109.9	M219 S300	N217-M219 PolarHBondContact O-N 2.99Å; N217-S300 PolarHBondContact N-OG 2.77Å; N217-S300 WeakPolarHBondContact O-CB 3.37Å
218	V	81.6	Confident	71	Confident	47 Å²	47	67.2 Å²	67.2	29%	0.285	35%	0.352	S	S	.	.			trans	-72	109.9	179.5	-175.9	0	0	0	0	109.9	I216 N220 A327	I216-V218 HydrophobicContact CG2-CG2 4.33Å; V218-N220 PolarHBondContact O-N 2.94Å; V218-A327 WeakPolarHBondContact CG1-O 3.29Å; V218-A327 HydrophobicContact CG2-CB 3.78Å
219	M	71.2	Confident	69.2	Low	69 Å²	69	67.7 Å²	67.7	34%	0.34	35%	0.354	S	S	.	.			trans	-76.9	113.9	-179.7	-65.2	-71.1	-74.9	0	0	110.7	N217 Q221 C304	N217-M219 PolarHBondContact O-N 2.99Å; M219-Q221 VanDerWaalsContact C-N 3.28Å; M219-Q221 PolarHBondContact O-N 3.23Å; M219-C304 HydrophobicContact CB-CB 4.28Å
220	N	63.3	Low	67.3	Low	158 Å²	158	68.6 Å²	68.6	85%	0.845	36%	0.358	S	S	*	.			trans	-72.7	-16.1	178.9	-74.2	-26	0	0	0	114.2	V218	V218-N220 PolarHBondContact O-N 2.94Å
221	Q	50.9	Low	65.5	Low	153 Å²	153	68.4 Å²	68.4	72%	0.715	36%	0.357	S	S	*	.	S	Bend	trans	-82.5	131.6	-175.3	-69.9	-175.5	-12.5	0	0	111.3	M219 I223	M219-Q221 VanDerWaalsContact C-N 3.28Å; M219-Q221 PolarHBondContact O-N 3.23Å; Q221-I223 PolarHBondContact O-N 3.35Å
222	P	50.1	Low	63.9	Low	104 Å²	104	68.3 Å²	68.3	68%	0.675	36%	0.356	S	S	*	.			trans	-63.7	106.9	171.9	27	-31.5	0	0	0	107.6	H224	P222-H224 VanDerWaalsContact C-N 3.34Å; P222-H224 PolarHBondContact O-N 3.35Å
223	I	48.7	Very low	62.2	Low	53 Å²	53	67.1 Å²	67.1	27%	0.272	35%	0.351	S	S	.	.			trans	-61.9	103.1	173	-59.7	175	0	0	0	106.1	Q221 G225 R226 C304	Q221-I223 PolarHBondContact O-N 3.35Å; I223-G225 PolarHBondContact O-N 2.91Å; I223-R226 PolarHBondContact O-N 3.48Å; I223-C304 HydrophobicContact CD1-CB 4.2Å
224	H	45	Very low	60.4	Low	181 Å²	181	67.4 Å²	67.4	84%	0.838	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	114.2	179.7	-78.6	-78.5	0	0	0	108.8	P222	P222-H224 VanDerWaalsContact C-N 3.34Å; P222-H224 PolarHBondContact O-N 3.35Å
225	G	49.4	Very low	58.9	Low	69 Å²	69	66.8 Å²	66.8	71%	0.711	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	69.7	-176.4	0	0	0	0	0	111.9	I223 R227	I223-G225 PolarHBondContact O-N 2.91Å; G225-R227 PolarHBondContact O-N 2.96Å
226	R	50.6	Low	57.5	Low	88 Å²	88	64.8 Å²	64.8	33%	0.332	34%	0.336	S	S	.	.			trans	-37.4	108.9	169.9	-77.5	-169.4	-176.7	-169	-1.2	109.3	I223 T228 S305 G329	I223-R226 PolarHBondContact O-N 3.48Å; R226-T228 PolarHBondContact O-N 3.45Å; R226-T228 VanDerWaalsContact O-N 3.1Å; R226-S305 WeakPolarHBondContact CB-O 3.36Å; R226-G329 PolarHBondContact NH1-O 2.97Å
227	R	50.9	Low	56.1	Low	193 Å²	193	70.3 Å²	70.3	73%	0.728	37%	0.371	S	S	*	.			trans	-58.2	120.5	176.3	-68.3	179.7	-179.7	172.2	-0.3	104.6	G225 I229	G225-R227 PolarHBondContact O-N 2.96Å; R227-I229 HydrophobicContact CB-CD1 3.88Å; R227-I229 HydrophobicContact CB-CG1 3.99Å; R227-I229 PolarHBondContact O-N 3.46Å
228	T	49.2	Very low	55.3	Low	47 Å²	47	69.7 Å²	69.7	29%	0.288	37%	0.368	S	S	.	.			trans	-65.5	79.6	-179.7	40.3	0	0	0	0	109	R226 E307	R226-T228 PolarHBondContact O-N 3.45Å; R226-T228 VanDerWaalsContact O-N 3.1Å; T228-E307 HydrophobicContact CG2-CB 4.4Å
229	I	53	Low	54.7	Low	14 Å²	14	72.5 Å²	72.5	7%	0.072	38%	0.377	C	S	.	.			trans	-95.1	122.9	177.4	-69.3	163.4	0	0	0	105.4	R227 L231 T262 L264 S306 E307	R227-I229 HydrophobicContact CB-CD1 3.88Å; R227-I229 HydrophobicContact CB-CG1 3.99Å; R227-I229 PolarHBondContact O-N 3.46Å; I229-L231 HydrophobicContact CG2-CB 4.17Å; I229-L231 PolarHBondContact O-N 2.89Å; I229-T262 VanDerWaalsContact CA-O 3.31Å; I229-T262 WeakPolarHBondContact CA-O 3.47Å; I229-L264 HydrophobicContact CD1-CD1 4.15Å; I229-L264 HydrophobicContact CG1-CD1 4.46Å; I229-L264 HydrophobicContact CG2-CB 3.92Å; I229-L264 HydrophobicContact CG2-CD1 3.49Å; I229-L264 VanDerWaalsContact CG2-CD1 3.49Å; I229-L264 HydrophobicContact CG2-CG 3.49Å; I229-L264 VanDerWaalsContact CG2-CG 3.49Å; I229-S306 WeakPolarHBondContact CB-OG 3.22Å; I229-S306 VanDerWaalsContact CG2-OG 3.23Å; I229-S306 WeakPolarHBondContact CG2-OG 3.36Å; I229-S306 WeakPolarHBondContact O-CB 3.31Å; I229-E307 PolarHBondContact O-N 2.74Å; I229-E307 VanDerWaalsContact O-N 3.15Å
230	F	55.2	Low	54.7	Low	21 Å²	21	74.6 Å²	74.6	9%	0.092	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	96	161.9	-160.1	-105.6	0	0	0	106.3	I232 L249 T262 I263 L264 F308 L310 I364 L368	F230-I232 HydrophobicContact CD1-CG1 4.01Å; F230-I232 HydrophobicContact CE1-CG1 4.25Å; F230-I232 PolarHBondContact O-N 3.36Å; F230-L249 HydrophobicContact CD1-CD2 4.36Å; F230-L249 HydrophobicContact CE1-CD1 4.18Å; F230-L249 HydrophobicContact CE1-CD2 4Å; F230-T262 PolarHBondContact N-O 2.8Å; F230-T262 VanDerWaalsContact N-O 3.09Å; F230-I263 HydrophobicContact CB-CB 4.48Å; F230-I263 HydrophobicContact CB-CG1 4.04Å; F230-I263 HydrophobicContact CB-CG2 4.33Å; F230-I263 HydrophobicContact CD1-CG2 4.41Å; F230-L264 PolarHBondContact O-N 3.02Å; F230-F308 HydrophobicContact CD2-CB 3.64Å; F230-F308 HydrophobicContact CD2-CD2 4.21Å; F230-F308 HydrophobicContact CD2-CG 4.36Å; F230-F308 HydrophobicContact CE2-CB 3.56Å; F230-F308 HydrophobicContact CE2-CD2 4.34Å; F230-F308 HydrophobicContact CE2-CG 4.23Å; F230-L310 HydrophobicContact CD1-CB 4.46Å; F230-L310 HydrophobicContact CE1-CB 3.56Å; F230-L310 HydrophobicContact CE1-CD2 3.52Å; F230-L310 HydrophobicContact CE1-CG 4.1Å; F230-L310 HydrophobicContact CE2-CB 4.48Å; F230-L310 HydrophobicContact CZ-CB 3.57Å; F230-L310 HydrophobicContact CZ-CD1 4.38Å; F230-L310 HydrophobicContact CZ-CD2 3.89Å; F230-L310 HydrophobicContact CZ-CG 4.14Å; F230-I364 HydrophobicContact CZ-CG2 4.12Å; F230-L368 HydrophobicContact CD2-CD1 4.18Å; F230-L368 HydrophobicContact CE2-CD1 3.18Å; F230-L368 HydrophobicContact CZ-CD1 3.61Å
231	L	56.1	Low	55.1	Low	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	112.2	175.5	-174.9	71.8	0	0	0	107.2	I229 V233 L264 L266 Y299 L303 S306 F308 C309 L310	I229-L231 HydrophobicContact CG2-CB 4.17Å; I229-L231 PolarHBondContact O-N 2.89Å; L231-V233 HydrophobicContact CD2-CG2 3.73Å; L231-V233 HydrophobicContact CG-CG2 3.85Å; L231-V233 PolarHBondContact O-N 3.22Å; L231-L264 CarbonylContact C-O 3.57Å; L231-L264 WeakPolarHBondContact CA-O 3.24Å; L231-L264 HydrophobicContact CD1-CB 3.48Å; L231-L264 VanDerWaalsContact CD1-CB 3.48Å; L231-L264 HydrophobicContact CD1-CD1 4.12Å; L231-L264 HydrophobicContact CD1-CG 4.44Å; L231-L266 HydrophobicContact CD1-CD1 4.02Å; L231-L266 HydrophobicContact CD1-CG 4.09Å; L231-L266 HydrophobicContact CD2-CD1 4.22Å; L231-L266 HydrophobicContact CG-CD1 4.18Å; L231-Y299 HydrophobicContact CD2-CE2 4.24Å; L231-L303 HydrophobicContact CD2-CB 4.15Å; L231-L303 HydrophobicContact CD2-CD1 3.49Å; L231-L303 VanDerWaalsContact CD2-CD1 3.49Å; L231-L303 HydrophobicContact CD2-CG 4.44Å; L231-S306 WeakPolarHBondContact CB-OG 3.39Å; L231-F308 PolarHBondContact N-O 2.62Å; L231-C309 WeakPolarHBondContact O-CA 3.43Å; L231-L310 PolarHBondContact O-N 3.46Å
232	I	55.3	Low	55.9	Low	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	107.3	166	-44.1	177.8	0	0	0	106.3	F230 F234 V245 L249 I263 L264 V265 L266 L310	F230-I232 HydrophobicContact CD1-CG1 4.01Å; F230-I232 HydrophobicContact CE1-CG1 4.25Å; F230-I232 PolarHBondContact O-N 3.36Å; I232-F234 HydrophobicContact CG2-CB 3.38Å; I232-F234 HydrophobicContact CG2-CG 4.49Å; I232-F234 PolarHBondContact O-N 3.12Å; I232-V245 HydrophobicContact CD1-CG1 3.8Å; I232-V245 HydrophobicContact CG2-CG1 4.21Å; I232-L249 HydrophobicContact CD1-CB 4.2Å; I232-L249 HydrophobicContact CD1-CD1 3.1Å; I232-L249 HydrophobicContact CD1-CG 4.23Å; I232-L249 HydrophobicContact CG1-CD1 3.9Å; I232-I263 HydrophobicContact CD1-CG2 4.32Å; I232-I263 HydrophobicContact CG1-CG2 4.35Å; I232-L264 PolarHBondContact N-O 3.3Å; I232-V265 HydrophobicContact CB-CG1 4.26Å; I232-V265 HydrophobicContact CD1-CB 4.19Å; I232-V265 HydrophobicContact CD1-CG1 4.01Å; I232-V265 HydrophobicContact CD1-CG2 3.49Å; I232-V265 VanDerWaalsContact CD1-CG2 3.49Å; I232-V265 HydrophobicContact CG1-CG2 4.21Å; I232-L266 PolarHBondContact O-N 3.21Å; I232-L310 HydrophobicContact CG1-CD2 4.48Å; I232-L310 HydrophobicContact CG2-CB 4.35Å; I232-L310 HydrophobicContact CG2-CD2 4.32Å; I232-L310 HydrophobicContact CG2-CG 4.44Å
233	V	54.4	Low	57	Low	2 Å²	2	63.3 Å²	63.3	1%	0.012	32%	0.319	C	S	.	.			trans	-94.6	69.7	170.6	-145.7	0	0	0	0	105.8	L231 L266 Y299 L303 C309 L310 N318 N321	L231-V233 HydrophobicContact CD2-CG2 3.73Å; L231-V233 HydrophobicContact CG-CG2 3.85Å; L231-V233 PolarHBondContact O-N 3.22Å; V233-L266 HydrophobicContact CB-CD1 3.98Å; V233-L266 HydrophobicContact CG1-CD1 3.33Å; V233-L266 HydrophobicContact CG2-CD1 4.23Å; V233-Y299 HydrophobicContact CG1-CE2 4.12Å; V233-L303 HydrophobicContact CG2-CD1 4.32Å; V233-C309 HydrophobicContact CG2-CB 4.39Å; V233-L310 PolarHBondContact N-O 2.69Å; V233-L310 VanDerWaalsContact N-O 3.09Å; V233-N318 PolarHBondContact O-OD1 3.32Å; V233-N321 HydrophobicContact CB-CB 3.73Å; V233-N321 HydrophobicContact CG1-CB 3.45Å; V233-N321 VanDerWaalsContact CG1-CB 3.45Å; V233-N321 WeakPolarHBondContact CG1-ND2 3.49Å; V233-N321 WeakPolarHBondContact CG1-OD1 3.45Å; V233-N321 PolarHBondContact O-ND2 2.99Å
234	F	50.1	Low	58.2	Low	8 Å²	8	66.3 Å²	66.3	4%	0.035	33%	0.332	C	S	.	.			trans	-111.2	112.5	-178.9	176.1	-116.9	0	0	0	108.7	I232 L241 I242 V245 I312	I232-F234 HydrophobicContact CG2-CB 3.38Å; I232-F234 HydrophobicContact CG2-CG 4.49Å; I232-F234 PolarHBondContact O-N 3.12Å; F234-L241 HydrophobicContact CE1-CG 4.43Å; F234-L241 HydrophobicContact CE2-CD2 3.65Å; F234-L241 HydrophobicContact CE2-CG 4.09Å; F234-L241 HydrophobicContact CZ-CB 4.04Å; F234-L241 HydrophobicContact CZ-CD2 3.48Å; F234-L241 VanDerWaalsContact CZ-CD2 3.48Å; F234-L241 HydrophobicContact CZ-CG 3.51Å; F234-I242 HydrophobicContact CD1-CG1 4.17Å; F234-I242 HydrophobicContact CE1-CB 4.13Å; F234-I242 HydrophobicContact CE1-CG1 3.42Å; F234-I242 VanDerWaalsContact CE1-CG1 3.42Å; F234-I242 HydrophobicContact CZ-CG1 4.29Å; F234-V245 HydrophobicContact CE1-CG2 4.29Å; F234-V245 HydrophobicContact CZ-CG2 4.46Å; F234-I312 HydrophobicContact CD2-CB 3.61Å; F234-I312 HydrophobicContact CD2-CD1 4.19Å; F234-I312 HydrophobicContact CD2-CG1 4.32Å; F234-I312 HydrophobicContact CD2-CG2 4.32Å; F234-I312 VanDerWaalsContact CD2-O 3.28Å; F234-I312 WeakPolarHBondContact CD2-O 3.25Å; F234-I312 HydrophobicContact CE2-CB 3.78Å; F234-I312 HydrophobicContact CE2-CG2 3.96Å; F234-I312 WeakPolarHBondContact CE2-O 3.45Å; F234-I312 HydrophobicContact CG-CD1 4.44Å
235	Q	52.8	Low	59.5	Low	35 Å²	35	57.7 Å²	57.7	16%	0.164	29%	0.292	C	S	.	.			trans	-111.7	123.9	160.1	-66.4	-175.8	-48.2	0	0	106.4	L317 N318	Q235-L317 HydrophobicContact CB-CB 4.14Å; Q235-L317 HydrophobicContact CB-CD1 3.95Å; Q235-L317 VanDerWaalsContact OE1-CD1 3.23Å; Q235-N318 PolarHBondContact N-OD1 3.38Å; Q235-N318 VanDerWaalsContact N-OD1 3.17Å; Q235-N318 PolarHBondContact O-ND2 3.33Å
236	S	53.8	Low	60.7	Low	11 Å²	11	57.3 Å²	57.3	8%	0.077	27%	0.272	C	S	.	.			trans	-144.6	149.5	172.6	-179.2	0	0	0	0	108.7	D238 I242	S236-D238 VanDerWaalsContact C-N 3.33Å; S236-D238 PolarHBondContact OG-N 3.23Å; S236-I242 WeakPolarHBondContact O-CD1 3.48Å
237	T	55.2	Low	61.8	Low	137 Å²	137	60.3 Å²	60.3	84%	0.84	28%	0.284	S	S	*	.	S	Bend	trans	-83.6	-14.4	169.9	53.6	0	0	0	0	111.8	Q239	T237-Q239 PolarHBondContact O-N 2.98Å
238	D	65.1	Low	62.6	Low	74 Å²	74	51.7 Å²	51.7	40%	0.396	25%	0.252	S	S	.	.			trans	-80	102.1	178.4	-174.4	-6.6	0	0	0	111	S236 N240 L241 I242	S236-D238 VanDerWaalsContact C-N 3.33Å; S236-D238 PolarHBondContact OG-N 3.23Å; D238-N240 VanDerWaalsContact C-N 3.27Å; D238-N240 PolarHBondContact O-N 2.67Å; D238-N240 WeakPolarHBondContact OD1-CB 3.45Å; D238-N240 PolarHBondContact OD1-N 2.59Å; D238-L241 HydrophobicContact CB-CB 3.99Å; D238-L241 PolarHBondContact O-N 3.08Å; D238-L241 PolarHBondContact OD1-N 3.18Å; D238-I242 WeakPolarHBondContact O-CG1 3.46Å; D238-I242 PolarHBondContact O-N 3.33Å
239	Q	68.4	Low	63.5	Low	105 Å²	105	49.5 Å²	49.5	49%	0.491	24%	0.239	S	C	.	.	H	α-helix	trans	-58.6	-37	177.1	-67	-64.1	-42.9	0	0	112.4	T237 L241 I242 Y243	T237-Q239 PolarHBondContact O-N 2.98Å; Q239-L241 VanDerWaalsContact C-N 3.35Å; Q239-L241 PolarHBondContact O-N 3.17Å; Q239-I242 WeakPolarHBondContact O-CB 3.27Å; Q239-I242 PolarHBondContact O-N 3Å; Q239-Y243 HydrophobicContact CB-CD2 4.47Å; Q239-Y243 HydrophobicContact CB-CE2 4.31Å; Q239-Y243 WeakPolarHBondContact O-CD2 3.48Å; Q239-Y243 PolarHBondContact O-N 3.39Å
240	N	71.3	Confident	64.4	Low	113 Å²	113	50 Å²	50	60%	0.604	24%	0.242	S	C	*	.	H	α-helix	trans	-66	-41.5	-179.8	-70	-29.9	0	0	0	111	D238 Y243 Q244	D238-N240 VanDerWaalsContact C-N 3.27Å; D238-N240 PolarHBondContact O-N 2.67Å; D238-N240 WeakPolarHBondContact OD1-CB 3.45Å; D238-N240 PolarHBondContact OD1-N 2.59Å; N240-Y243 PolarHBondContact O-N 3.03Å; N240-Q244 WeakPolarHBondContact O-CB 3.35Å; N240-Q244 VanDerWaalsContact O-CG 3.31Å; N240-Q244 WeakPolarHBondContact O-CG 3.47Å; N240-Q244 PolarHBondContact O-N 3.12Å
241	L	70.5	Confident	64.9	Low	14 Å²	14	54 Å²	54	7%	0.073	26%	0.264	C	S	.	.	H	α-helix	trans	-64.3	-43.7	175.1	-171.7	62.2	0	0	0	110.6	F234 D238 Q239 Y243 Q244 V245 I312 D313	F234-L241 HydrophobicContact CE1-CG 4.43Å; F234-L241 HydrophobicContact CE2-CD2 3.65Å; F234-L241 HydrophobicContact CE2-CG 4.09Å; F234-L241 HydrophobicContact CZ-CB 4.04Å; F234-L241 HydrophobicContact CZ-CD2 3.48Å; F234-L241 VanDerWaalsContact CZ-CD2 3.48Å; F234-L241 HydrophobicContact CZ-CG 3.51Å; D238-L241 HydrophobicContact CB-CB 3.99Å; D238-L241 PolarHBondContact O-N 3.08Å; D238-L241 PolarHBondContact OD1-N 3.18Å; Q239-L241 VanDerWaalsContact C-N 3.35Å; Q239-L241 PolarHBondContact O-N 3.17Å; L241-Y243 VanDerWaalsContact C-N 3.33Å; L241-Y243 PolarHBondContact O-N 3.3Å; L241-Q244 PolarHBondContact O-N 3.12Å; L241-V245 HydrophobicContact CD1-CG2 4.34Å; L241-V245 HydrophobicContact CG-CG2 4.3Å; L241-V245 WeakPolarHBondContact O-CB 3.32Å; L241-V245 WeakPolarHBondContact O-CG2 3.31Å; L241-V245 PolarHBondContact O-N 3.29Å; L241-I312 HydrophobicContact CD1-CG2 4.49Å; L241-I312 HydrophobicContact CD2-CG2 4.03Å; L241-D313 HydrophobicContact CD2-CB 4.42Å
242	I	69	Low	65.2	Low	21 Å²	21	55.7 Å²	55.7	11%	0.108	28%	0.276	C	S	.	.	H	α-helix	trans	-53.7	-49.8	172.7	-64.5	163.8	0	0	0	111	F234 S236 D238 Q239 V245 Q246	F234-I242 HydrophobicContact CD1-CG1 4.17Å; F234-I242 HydrophobicContact CE1-CB 4.13Å; F234-I242 HydrophobicContact CE1-CG1 3.42Å; F234-I242 VanDerWaalsContact CE1-CG1 3.42Å; F234-I242 HydrophobicContact CZ-CG1 4.29Å; S236-I242 WeakPolarHBondContact O-CD1 3.48Å; D238-I242 WeakPolarHBondContact O-CG1 3.46Å; D238-I242 PolarHBondContact O-N 3.33Å; Q239-I242 WeakPolarHBondContact O-CB 3.27Å; Q239-I242 PolarHBondContact O-N 3Å; I242-V245 PolarHBondContact O-N 3.05Å; I242-Q246 HydrophobicContact CG2-CG 4.38Å; I242-Q246 WeakPolarHBondContact O-CB 3.37Å; I242-Q246 WeakPolarHBondContact O-CG 3.45Å; I242-Q246 PolarHBondContact O-N 3Å
243	Y	73.4	Confident	65.6	Low	144 Å²	144	55.8 Å²	55.8	57%	0.565	28%	0.276	S	S	*	.	H	α-helix	trans	-63.6	-42.5	179.3	-76.8	-62.6	0	0	0	112.4	Q239 N240 L241 V245 Q246 Y247	Q239-Y243 HydrophobicContact CB-CD2 4.47Å; Q239-Y243 HydrophobicContact CB-CE2 4.31Å; Q239-Y243 WeakPolarHBondContact O-CD2 3.48Å; Q239-Y243 PolarHBondContact O-N 3.39Å; N240-Y243 PolarHBondContact O-N 3.03Å; L241-Y243 VanDerWaalsContact C-N 3.33Å; L241-Y243 PolarHBondContact O-N 3.3Å; Y243-V245 VanDerWaalsContact C-N 3.33Å; Y243-V245 PolarHBondContact O-N 3.26Å; Y243-Q246 PolarHBondContact O-N 2.75Å; Y243-Y247 WeakPolarHBondContact O-CB 3.34Å; Y243-Y247 PolarHBondContact O-N 2.88Å
244	Q	73.9	Confident	65.9	Low	115 Å²	115	59.9 Å²	59.9	54%	0.537	30%	0.301	S	S	.	.	H	α-helix	trans	-63.2	-40.5	176.7	-74.8	178.9	3	0	0	112	N240 L241 L248	N240-Q244 WeakPolarHBondContact O-CB 3.35Å; N240-Q244 VanDerWaalsContact O-CG 3.31Å; N240-Q244 WeakPolarHBondContact O-CG 3.47Å; N240-Q244 PolarHBondContact O-N 3.12Å; L241-Q244 PolarHBondContact O-N 3.12Å; Q244-L248 WeakPolarHBondContact O-CB 3.46Å; Q244-L248 PolarHBondContact O-N 2.97Å
245	V	72.3	Confident	66.2	Low	1 Å²	1	64.5 Å²	64.5	1%	0.006	34%	0.335	C	S	.	.	H	α-helix	trans	-65	-47.4	177.3	174	0	0	0	0	110.4	I232 F234 L241 I242 Y243 L248 L249 I312 F361	I232-V245 HydrophobicContact CD1-CG1 3.8Å; I232-V245 HydrophobicContact CG2-CG1 4.21Å; F234-V245 HydrophobicContact CE1-CG2 4.29Å; F234-V245 HydrophobicContact CZ-CG2 4.46Å; L241-V245 HydrophobicContact CD1-CG2 4.34Å; L241-V245 HydrophobicContact CG-CG2 4.3Å; L241-V245 WeakPolarHBondContact O-CB 3.32Å; L241-V245 WeakPolarHBondContact O-CG2 3.31Å; L241-V245 PolarHBondContact O-N 3.29Å; I242-V245 PolarHBondContact O-N 3.05Å; Y243-V245 VanDerWaalsContact C-N 3.33Å; Y243-V245 PolarHBondContact O-N 3.26Å; V245-L248 PolarHBondContact O-N 3.36Å; V245-L249 HydrophobicContact CG1-CD1 3.76Å; V245-L249 VanDerWaalsContact O-CB 3.3Å; V245-L249 WeakPolarHBondContact O-CB 3.35Å; V245-L249 WeakPolarHBondContact O-CG 3.33Å; V245-L249 PolarHBondContact O-N 3.25Å; V245-I312 HydrophobicContact CB-CD1 4.38Å; V245-I312 HydrophobicContact CG1-CD1 3.94Å; V245-I312 HydrophobicContact CG2-CD1 3.41Å; V245-I312 VanDerWaalsContact CG2-CD1 3.41Å; V245-F361 HydrophobicContact CB-CZ 4.11Å; V245-F361 HydrophobicContact CG1-CZ 4.47Å; V245-F361 HydrophobicContact CG2-CE1 4.24Å; V245-F361 HydrophobicContact CG2-CE2 4.13Å; V245-F361 HydrophobicContact CG2-CZ 3.49Å; V245-F361 VanDerWaalsContact CG2-CZ 3.49Å
246	Q	73.6	Confident	66.4	Low	61 Å²	61	64.8 Å²	64.8	29%	0.285	34%	0.337	S	S	.	.	H	α-helix	trans	-62.6	-47	176.5	-73.4	178.1	-2.2	0	0	111.3	I242 Y243 L248 L249 L250	I242-Q246 HydrophobicContact CG2-CG 4.38Å; I242-Q246 WeakPolarHBondContact O-CB 3.37Å; I242-Q246 WeakPolarHBondContact O-CG 3.45Å; I242-Q246 PolarHBondContact O-N 3Å; Y243-Q246 PolarHBondContact O-N 2.75Å; Q246-L248 PolarHBondContact O-N 2.99Å; Q246-L249 PolarHBondContact O-N 3.2Å; Q246-L250 HydrophobicContact CB-CD1 4.17Å; Q246-L250 HydrophobicContact CG-CD1 4.37Å; Q246-L250 WeakPolarHBondContact O-CA 3.42Å; Q246-L250 WeakPolarHBondContact O-CB 3.5Å; Q246-L250 VanDerWaalsContact O-CG 3.25Å; Q246-L250 WeakPolarHBondContact O-CG 3.48Å; Q246-L250 PolarHBondContact O-N 2.98Å
247	Y	73.6	Confident	66.6	Low	150 Å²	150	68.7 Å²	68.7	59%	0.588	36%	0.362	S	S	*	.	I	π-helix	trans	-60.9	-47.4	177.5	180	-97.7	0	0	0	112	Y243 L249 D251 S252	Y243-Y247 WeakPolarHBondContact O-CB 3.34Å; Y243-Y247 PolarHBondContact O-N 2.88Å; Y247-L249 PolarHBondContact O-N 3.38Å; Y247-D251 HydrophobicContact CD2-CB 3.68Å; Y247-D251 WeakPolarHBondContact CD2-OD2 3.37Å; Y247-D251 HydrophobicContact CE2-CB 3.9Å; Y247-D251 HydrophobicContact CG-CB 4.35Å; Y247-D251 WeakPolarHBondContact O-CA 3.39Å; Y247-D251 WeakPolarHBondContact O-CB 3.49Å; Y247-D251 PolarHBondContact O-N 3.42Å; Y247-S252 PolarHBondContact O-N 2.94Å
248	L	69.3	Low	66.6	Low	13 Å²	13	66.6 Å²	66.6	7%	0.068	35%	0.346	C	S	.	.	I	π-helix	trans	-60	-48.4	177.9	-174.1	81.4	0	0	0	110.8	Q244 V245 Q246 S252 F361 Q362	Q244-L248 WeakPolarHBondContact O-CB 3.46Å; Q244-L248 PolarHBondContact O-N 2.97Å; V245-L248 PolarHBondContact O-N 3.36Å; Q246-L248 PolarHBondContact O-N 2.99Å; L248-S252 WeakPolarHBondContact O-CB 3.48Å; L248-S252 PolarHBondContact O-OG 2.81Å; L248-F361 HydrophobicContact CB-CE1 3.95Å; L248-F361 HydrophobicContact CD2-CD1 3.9Å; L248-F361 HydrophobicContact CD2-CE1 3.52Å; L248-F361 HydrophobicContact CD2-CE2 4.46Å; L248-F361 HydrophobicContact CD2-CG 4.49Å; L248-F361 HydrophobicContact CD2-CZ 3.8Å; L248-F361 VanDerWaalsContact CD2-O 3.29Å; L248-F361 WeakPolarHBondContact CD2-O 3.43Å; L248-F361 HydrophobicContact CG-CE1 4.25Å; L248-Q362 VanDerWaalsContact CD1-CA 3.43Å; L248-Q362 HydrophobicContact CD1-CB 3.79Å; L248-Q362 HydrophobicContact CD1-CG 3.93Å
249	L	68.3	Low	66.4	Low	1 Å²	1	64 Å²	64	1%	0.005	33%	0.332	C	S	.	.	I	π-helix	trans	-89.8	-18	-167.2	-66.2	165.1	0	0	0	112.9	F230 I232 V245 Q246 Y247 R253 I263 L310 P365	F230-L249 HydrophobicContact CD1-CD2 4.36Å; F230-L249 HydrophobicContact CE1-CD1 4.18Å; F230-L249 HydrophobicContact CE1-CD2 4Å; I232-L249 HydrophobicContact CD1-CB 4.2Å; I232-L249 HydrophobicContact CD1-CD1 3.1Å; I232-L249 HydrophobicContact CD1-CG 4.23Å; I232-L249 HydrophobicContact CG1-CD1 3.9Å; V245-L249 HydrophobicContact CG1-CD1 3.76Å; V245-L249 VanDerWaalsContact O-CB 3.3Å; V245-L249 WeakPolarHBondContact O-CB 3.35Å; V245-L249 WeakPolarHBondContact O-CG 3.33Å; V245-L249 PolarHBondContact O-N 3.25Å; Q246-L249 PolarHBondContact O-N 3.2Å; Y247-L249 PolarHBondContact O-N 3.38Å; L249-R253 WeakPolarHBondContact O-CD 3.02Å; L249-R253 WeakPolarHBondContact O-CG 3.33Å; L249-I263 HydrophobicContact CB-CD1 4.45Å; L249-I263 WeakPolarHBondContact O-CD1 2.97Å; L249-L310 HydrophobicContact CD1-CD2 3.74Å; L249-P365 HydrophobicContact CD2-CG 4.41Å
250	L	70.2	Confident	66	Low	24 Å²	24	64.8 Å²	64.8	13%	0.126	34%	0.337	C	S	.	.	I	π-helix	trans	-111.1	-53.1	-178.3	-52.5	176.5	0	0	0	111.4	Q246 R253 L283	Q246-L250 HydrophobicContact CB-CD1 4.17Å; Q246-L250 HydrophobicContact CG-CD1 4.37Å; Q246-L250 WeakPolarHBondContact O-CA 3.42Å; Q246-L250 WeakPolarHBondContact O-CB 3.5Å; Q246-L250 VanDerWaalsContact O-CG 3.25Å; Q246-L250 WeakPolarHBondContact O-CG 3.48Å; Q246-L250 PolarHBondContact O-N 2.98Å; L250-R253 WeakPolarHBondContact O-CD 3.47Å; L250-R253 WeakPolarHBondContact O-CG 3.49Å; L250-L283 HydrophobicContact CD1-CD2 3.42Å; L250-L283 VanDerWaalsContact CD1-CD2 3.42Å; L250-L283 HydrophobicContact CD1-CG 4.34Å
251	D	65.5	Low	66.1	Low	104 Å²	104	64.5 Å²	64.5	56%	0.556	33%	0.328	S	S	*	.	I	π-helix	trans	-82.7	-35.8	-171.5	-63.1	-21.2	0	0	0	112.4	Y247 R253	Y247-D251 HydrophobicContact CD2-CB 3.68Å; Y247-D251 WeakPolarHBondContact CD2-OD2 3.37Å; Y247-D251 HydrophobicContact CE2-CB 3.9Å; Y247-D251 HydrophobicContact CG-CB 4.35Å; Y247-D251 WeakPolarHBondContact O-CA 3.39Å; Y247-D251 WeakPolarHBondContact O-CB 3.49Å; Y247-D251 PolarHBondContact O-N 3.42Å; D251-R253 PolarHBondContact O-N 3.13Å
252	S	63	Low	66.3	Low	36 Å²	36	66 Å²	66	25%	0.252	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-76.6	-3.4	179.9	92.9	0	0	0	0	114.4	Y247 L248 T254 S255	Y247-S252 PolarHBondContact O-N 2.94Å; L248-S252 WeakPolarHBondContact O-CB 3.48Å; L248-S252 PolarHBondContact O-OG 2.81Å; S252-T254 VanDerWaalsContact C-N 3.28Å; S252-T254 PolarHBondContact O-N 3.46Å; S252-S255 PolarHBondContact O-N 2.86Å
253	R	64.9	Low	66.8	Low	3 Å²	3	65.1 Å²	65.1	1%	0.011	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-63.2	-29.5	-175.7	-63.9	177	67.5	168	-0.8	113.7	L249 L250 D251 S255 N256 L259 R261 S285 P288	L249-R253 WeakPolarHBondContact O-CD 3.02Å; L249-R253 WeakPolarHBondContact O-CG 3.33Å; L250-R253 WeakPolarHBondContact O-CD 3.47Å; L250-R253 WeakPolarHBondContact O-CG 3.49Å; D251-R253 PolarHBondContact O-N 3.13Å; R253-S255 PolarHBondContact O-N 2.84Å; R253-S255 VanDerWaalsContact O-N 3.13Å; R253-N256 PolarHBondContact O-N 2.68Å; R253-N256 VanDerWaalsContact O-N 3.13Å; R253-L259 HydrophobicContact CB-CB 4.32Å; R253-L259 HydrophobicContact CB-CD1 4.48Å; R253-L259 HydrophobicContact CG-CB 4.22Å; R253-L259 HydrophobicContact CG-CD1 4.16Å; R253-L259 VanDerWaalsContact CZ-O 3.26Å; R253-L259 PolarHBondContact NE-O 2.97Å; R253-L259 PolarHBondContact NH2-O 2.9Å; R253-R261 PolarHBondContact NH2-O 3.23Å; R253-S285 PolarHBondContact NH1-O 3.36Å; R253-S285 PolarHBondContact NH1-OG 3.46Å; R253-P288 HydrophobicContact CB-CB 3.63Å
254	T	59.4	Low	67.1	Low	87 Å²	87	58.6 Å²	58.6	53%	0.534	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-59.5	-25	-178.8	52.9	0	0	0	0	112.7	S252 P288	S252-T254 VanDerWaalsContact C-N 3.28Å; S252-T254 PolarHBondContact O-N 3.46Å; T254-P288 HydrophobicContact CG2-CB 4.34Å
255	S	57.9	Low	67.3	Low	106 Å²	106	53.5 Å²	53.5	74%	0.741	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-89.8	-8.6	-178.3	-59	0	0	0	0	114	S252 R253	S252-S255 PolarHBondContact O-N 2.86Å; R253-S255 PolarHBondContact O-N 2.84Å; R253-S255 VanDerWaalsContact O-N 3.13Å
256	N	56.5	Low	67.5	Low	41 Å²	41	54.1 Å²	54.1	22%	0.219	29%	0.288	C	S	.	.			trans	-131.9	101.4	-172.2	-155.8	-23.4	0	0	0	111.3	R253 N258 L259	R253-N256 PolarHBondContact O-N 2.68Å; R253-N256 VanDerWaalsContact O-N 3.13Å; N256-N258 PolarHBondContact O-N 2.8Å; N256-L259 HydrophobicContact CB-CD1 4.08Å; N256-L259 HydrophobicContact CB-CG 4.5Å; N256-L259 WeakPolarHBondContact O-CB 3.34Å; N256-L259 PolarHBondContact O-N 3.43Å
257	P	57.5	Low	67.3	Low	92 Å²	92	52.7 Å²	52.7	60%	0.597	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-61.3	-21.7	-176.7	24.7	-33.3	0	0	0	112.7	L259 M260	P257-L259 PolarHBondContact O-N 3.43Å; P257-M260 WeakPolarHBondContact O-CG 3.33Å; P257-M260 PolarHBondContact O-N 3.2Å
258	N	55.9	Low	66.7	Low	93 Å²	93	47.7 Å²	47.7	50%	0.497	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-70	-14.7	177.5	-63.4	-18.2	0	0	0	113.3	N256 S369	N256-N258 PolarHBondContact O-N 2.8Å; N258-S369 VanDerWaalsContact ND2-CB 3.32Å; N258-S369 WeakPolarHBondContact ND2-CB 3.32Å; N258-S369 PolarHBondContact ND2-OG 2.98Å; N258-S369 VanDerWaalsContact ND2-OG 3.12Å
259	L	59.2	Low	66.1	Low	21 Å²	21	51.2 Å²	51.2	11%	0.11	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-93.3	20.2	176.3	-79.5	169.2	0	0	0	113.8	R253 N256 P257 R261 I263 P365	R253-L259 HydrophobicContact CB-CB 4.32Å; R253-L259 HydrophobicContact CB-CD1 4.48Å; R253-L259 HydrophobicContact CG-CB 4.22Å; R253-L259 HydrophobicContact CG-CD1 4.16Å; R253-L259 VanDerWaalsContact CZ-O 3.26Å; R253-L259 PolarHBondContact NE-O 2.97Å; R253-L259 PolarHBondContact NH2-O 2.9Å; N256-L259 HydrophobicContact CB-CD1 4.08Å; N256-L259 HydrophobicContact CB-CG 4.5Å; N256-L259 WeakPolarHBondContact O-CB 3.34Å; N256-L259 PolarHBondContact O-N 3.43Å; P257-L259 PolarHBondContact O-N 3.43Å; L259-R261 PolarHBondContact O-N 2.74Å; L259-I263 HydrophobicContact CD2-CD1 4.24Å; L259-P365 HydrophobicContact CD1-CB 3.55Å; L259-P365 HydrophobicContact CD1-CG 3.68Å; L259-P365 HydrophobicContact CD2-CB 3.77Å; L259-P365 HydrophobicContact CD2-CG 4.06Å; L259-P365 HydrophobicContact CG-CB 3.65Å; L259-P365 HydrophobicContact CG-CG 4.2Å
260	M	60.7	Low	65.4	Low	121 Å²	121	51.9 Å²	51.9	60%	0.596	30%	0.299	S	S	*	.			trans	-66.1	-2.5	177.3	-79.2	-170.5	-179.1	0	0	115.2	P257	P257-M260 WeakPolarHBondContact O-CG 3.33Å; P257-M260 PolarHBondContact O-N 3.2Å
261	R	72.6	Confident	64.5	Low	107 Å²	107	56.3 Å²	56.3	40%	0.404	32%	0.323	S	S	.	.	S	Bend	trans	-86.1	159.5	-172.3	-64.6	166.2	173.4	-162.7	-1.3	113.2	R253 L259 E307	R253-R261 PolarHBondContact NH2-O 3.23Å; L259-R261 PolarHBondContact O-N 2.74Å; R261-E307 IonicContact CZ-OE1 3.91Å; R261-E307 IonicContact NH1-OE1 2.84Å; R261-E307 PolarHBondContact NH1-OE1 3.14Å
262	T	76.4	Confident	63.8	Low	44 Å²	44	57 Å²	57	27%	0.27	32%	0.323	S	S	.	.			trans	-66.5	134.1	178.1	-50.7	0	0	0	0	111.2	I229 F230 V284 S285 E286	I229-T262 VanDerWaalsContact CA-O 3.31Å; I229-T262 WeakPolarHBondContact CA-O 3.47Å; F230-T262 PolarHBondContact N-O 2.8Å; F230-T262 VanDerWaalsContact N-O 3.09Å; T262-V284 HydrophobicContact CG2-CG1 4.05Å; T262-S285 WeakPolarHBondContact CA-O 3.49Å; T262-E286 HydrophobicContact CG2-CG 4.25Å
263	I	78.9	Confident	63.4	Low	3 Å²	3	59.1 Å²	59.1	2%	0.015	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.1	176	-58	176.2	0	0	0	107.9	F230 I232 L249 L259 V265 S285	F230-I263 HydrophobicContact CB-CB 4.48Å; F230-I263 HydrophobicContact CB-CG1 4.04Å; F230-I263 HydrophobicContact CB-CG2 4.33Å; F230-I263 HydrophobicContact CD1-CG2 4.41Å; I232-I263 HydrophobicContact CD1-CG2 4.32Å; I232-I263 HydrophobicContact CG1-CG2 4.35Å; L249-I263 HydrophobicContact CB-CD1 4.45Å; L249-I263 WeakPolarHBondContact O-CD1 2.97Å; L259-I263 HydrophobicContact CD2-CD1 4.24Å; I263-V265 HydrophobicContact CG2-CG2 4.17Å; I263-S285 PolarHBondContact N-O 2.95Å; I263-S285 PolarHBondContact O-N 3.28Å
264	L	79.2	Confident	63.2	Low	7 Å²	7	65.1 Å²	65.1	4%	0.037	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.9	174.3	-65.8	-173.8	0	0	0	108.1	I229 F230 L231 I232 V282 V284 I297	I229-L264 HydrophobicContact CD1-CD1 4.15Å; I229-L264 HydrophobicContact CG1-CD1 4.46Å; I229-L264 HydrophobicContact CG2-CB 3.92Å; I229-L264 HydrophobicContact CG2-CD1 3.49Å; I229-L264 VanDerWaalsContact CG2-CD1 3.49Å; I229-L264 HydrophobicContact CG2-CG 3.49Å; I229-L264 VanDerWaalsContact CG2-CG 3.49Å; F230-L264 PolarHBondContact O-N 3.02Å; L231-L264 CarbonylContact C-O 3.57Å; L231-L264 WeakPolarHBondContact CA-O 3.24Å; L231-L264 HydrophobicContact CD1-CB 3.48Å; L231-L264 VanDerWaalsContact CD1-CB 3.48Å; L231-L264 HydrophobicContact CD1-CD1 4.12Å; L231-L264 HydrophobicContact CD1-CG 4.44Å; I232-L264 PolarHBondContact N-O 3.3Å; L264-V282 HydrophobicContact CD2-CG2 4.2Å; L264-V284 HydrophobicContact CD2-CB 3.97Å; L264-V284 HydrophobicContact CD2-CG1 3.73Å; L264-V284 HydrophobicContact CD2-CG2 3.6Å; L264-I297 HydrophobicContact CD1-CD1 4.31Å
265	V	78.7	Confident	63.4	Low	8 Å²	8	61.5 Å²	61.5	5%	0.048	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	119.2	174.7	-169.9	0	0	0	0	108	I232 I263 D267 V282 L283	I232-V265 HydrophobicContact CB-CG1 4.26Å; I232-V265 HydrophobicContact CD1-CB 4.19Å; I232-V265 HydrophobicContact CD1-CG1 4.01Å; I232-V265 HydrophobicContact CD1-CG2 3.49Å; I232-V265 VanDerWaalsContact CD1-CG2 3.49Å; I232-V265 HydrophobicContact CG1-CG2 4.21Å; I263-V265 HydrophobicContact CG2-CG2 4.17Å; V265-D267 PolarHBondContact O-N 2.82Å; V265-V282 CarbonylContact O-C 3.6Å; V265-V282 WeakPolarHBondContact O-CA 3.34Å; V265-V282 WeakPolarHBondContact O-CB 3.24Å; V265-L283 HydrophobicContact CB-CB 4.28Å; V265-L283 PolarHBondContact N-O 3.37Å; V265-L283 PolarHBondContact O-N 3.38Å
266	L	75.4	Confident	64.2	Low	15 Å²	15	59.6 Å²	59.6	8%	0.079	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	129.2	175.3	-77.7	157.9	0	0	0	110.7	L231 I232 V233 R280 V282 Y299	L231-L266 HydrophobicContact CD1-CD1 4.02Å; L231-L266 HydrophobicContact CD1-CG 4.09Å; L231-L266 HydrophobicContact CD2-CD1 4.22Å; L231-L266 HydrophobicContact CG-CD1 4.18Å; I232-L266 PolarHBondContact O-N 3.21Å; V233-L266 HydrophobicContact CB-CD1 3.98Å; V233-L266 HydrophobicContact CG1-CD1 3.33Å; V233-L266 HydrophobicContact CG2-CD1 4.23Å; L266-R280 HydrophobicContact CD2-CB 3.59Å; L266-R280 HydrophobicContact CD2-CG 4.05Å; L266-V282 HydrophobicContact CD2-CG1 3.47Å; L266-V282 VanDerWaalsContact CD2-CG1 3.47Å; L266-V282 HydrophobicContact CG-CG1 3.91Å; L266-Y299 HydrophobicContact CD1-CD2 4.12Å; L266-Y299 HydrophobicContact CD1-CE2 3.79Å; L266-Y299 HydrophobicContact CD2-CD2 4.33Å
267	D	70.7	Confident	65	Low	31 Å²	31	58.6 Å²	58.6	17%	0.166	33%	0.325	C	S	.	.			trans	-87.7	120.3	177.1	-162.3	-25.2	0	0	0	108.5	V265 S269 F281 K294	V265-D267 PolarHBondContact O-N 2.82Å; D267-S269 VanDerWaalsContact C-N 3.3Å; D267-S269 VanDerWaalsContact CG-OG 3.28Å; D267-S269 WeakPolarHBondContact OD1-CB 3.4Å; D267-S269 PolarHBondContact OD1-N 3.03Å; D267-S269 PolarHBondContact OD1-OG 2.74Å; D267-S269 PolarHBondContact OD2-OG 3.09Å; D267-F281 HydrophobicContact CB-CB 4.34Å; D267-F281 HydrophobicContact CB-CD1 4.14Å; D267-F281 WeakPolarHBondContact CB-O 3.09Å; D267-F281 PolarHBondContact N-O 2.98Å; D267-K294 IonicContact OD2-NZ 2.85Å; D267-K294 PolarHBondContact OD2-NZ 3.37Å
268	S	61.1	Low	66.1	Low	44 Å²	44	55.9 Å²	55.9	31%	0.308	31%	0.305	S	S	.	.	S	Bend	trans	-77.9	-16.3	176.9	60.4	0	0	0	0	112.9	S270	S268-S270 PolarHBondContact O-N 3.22Å
269	S	56.7	Low	67.4	Low	88 Å²	88	55.7 Å²	55.7	62%	0.615	30%	0.302	S	S	*	.			trans	-80.7	-13.5	-172.4	67.8	0	0	0	0	114.1	D267 N271	D267-S269 VanDerWaalsContact C-N 3.3Å; D267-S269 VanDerWaalsContact CG-OG 3.28Å; D267-S269 WeakPolarHBondContact OD1-CB 3.4Å; D267-S269 PolarHBondContact OD1-N 3.03Å; D267-S269 PolarHBondContact OD1-OG 2.74Å; D267-S269 PolarHBondContact OD2-OG 3.09Å; S269-N271 VanDerWaalsContact C-N 3.26Å; S269-N271 PolarHBondContact O-N 3.3Å
270	S	52.1	Low	68.3	Low	14 Å²	14	56 Å²	56	10%	0.098	30%	0.301	C	S	.	.			trans	-84.7	59.2	-175.2	72.9	0	0	0	0	112.7	S268 Q272 F281	S268-S270 PolarHBondContact O-N 3.22Å; S270-Q272 PolarHBondContact O-N 3.04Å; S270-Q272 VanDerWaalsContact O-N 3.08Å; S270-F281 VanDerWaalsContact OG-CB 3.32Å; S270-F281 WeakPolarHBondContact OG-CB 3.29Å
271	N	51.3	Low	69.3	Low	118 Å²	118	52.4 Å²	52.4	63%	0.631	28%	0.282	S	S	*	.			trans	-81.7	69.5	166.6	-72.2	2.1	0	0	0	109.2	F37 S269	F37-N271 HydrophobicContact CD1-CB 4.42Å; F37-N271 HydrophobicContact CE1-CB 4.2Å; F37-N271 VanDerWaalsContact CE1-OD1 3.24Å; F37-N271 WeakPolarHBondContact CE1-OD1 3.49Å; S269-N271 VanDerWaalsContact C-N 3.26Å; S269-N271 PolarHBondContact O-N 3.3Å
272	Q	50.8	Low	69.7	Low	119 Å²	119	47.3 Å²	47.3	56%	0.556	26%	0.263	S	S	*	.			trans	-89.5	126.7	169.6	-70.2	-172.4	-12.3	0	0	109.2	F37 S270 N274 T275	F37-Q272 WeakPolarHBondContact CB-O 3.27Å; S270-Q272 PolarHBondContact O-N 3.04Å; S270-Q272 VanDerWaalsContact O-N 3.08Å; Q272-N274 PolarHBondContact O-N 3.14Å; Q272-T275 HydrophobicContact CB-CG2 4.29Å; Q272-T275 PolarHBondContact O-N 3.13Å; Q272-T275 PolarHBondContact O-OG1 2.67Å
273	S	54.6	Low	69.8	Low	79 Å²	79	46.4 Å²	46.4	55%	0.552	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-26.7	-171.4	57.3	0	0	0	0	114.9	N36 F37	N36-S273 PolarHBondContact OD1-O 3.09Å; F37-S273 PolarHBondContact N-O 3.31Å
274	N	61	Low	69.8	Low	130 Å²	130	46.5 Å²	46.5	70%	0.695	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	20.3	-169.7	-68.8	13.7	0	0	0	114.5	Q272	Q272-N274 PolarHBondContact O-N 3.14Å
275	T	64.7	Low	69.8	Low	11 Å²	11	46.4 Å²	46.4	7%	0.067	26%	0.257	C	S	.	.			trans	-106.6	141.1	-177.5	55.6	0	0	0	0	111.4	F37 Q272 W296	F37-T275 WeakPolarHBondContact CD2-O 3.44Å; F37-T275 WeakPolarHBondContact CD2-OG1 3.35Å; F37-T275 WeakPolarHBondContact CE2-OG1 3.15Å; Q272-T275 HydrophobicContact CB-CG2 4.29Å; Q272-T275 PolarHBondContact O-N 3.13Å; Q272-T275 PolarHBondContact O-OG1 2.67Å; T275-W296 HydrophobicContact CG2-CH2 3.5Å; T275-W296 HydrophobicContact CG2-CZ2 4.16Å; T275-W296 HydrophobicContact CG2-CZ3 3.76Å
276	T	73.1	Confident	69.7	Low	66 Å²	66	51 Å²	51	41%	0.405	28%	0.278	S	S	.	.			trans	-77.3	160.4	175.9	63.7	0	0	0	0	110.6	N278 Q279	T276-N278 PolarHBondContact O-N 2.85Å; T276-N278 VanDerWaalsContact O-N 3.11Å; T276-Q279 PolarHBondContact O-N 3.22Å; T276-Q279 WeakPolarHBondContact OG1-CG 3.41Å
277	Y	75	Confident	69.5	Low	19 Å²	19	51.7 Å²	51.7	8%	0.075	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-35.4	177.8	179.3	-87.5	0	0	0	113.1	L40 N213 L215 R280 Y299 D324	L40-Y277 HydrophobicContact CD1-CD2 4.05Å; L40-Y277 HydrophobicContact CD1-CE2 3.66Å; L40-Y277 HydrophobicContact CD2-CE2 4.23Å; L40-Y277 HydrophobicContact CG-CD2 4.17Å; L40-Y277 HydrophobicContact CG-CE2 3.94Å; N213-Y277 PolarHBondContact ND2-OH 2.81Å; L215-Y277 HydrophobicContact CB-CD1 3.7Å; L215-Y277 HydrophobicContact CB-CD2 3.73Å; L215-Y277 HydrophobicContact CB-CE1 4.1Å; L215-Y277 HydrophobicContact CB-CE2 4.09Å; L215-Y277 HydrophobicContact CB-CG 3.56Å; L215-Y277 HydrophobicContact CD1-CD2 3.39Å; L215-Y277 HydrophobicContact CD1-CE2 4.04Å; L215-Y277 HydrophobicContact CD1-CG 3.87Å; L215-Y277 HydrophobicContact CG-CD2 4.21Å; L215-Y277 HydrophobicContact CG-CG 4.33Å; Y277-R280 PolarHBondContact O-NE 2.68Å; Y277-R280 PolarHBondContact O-NH2 3.43Å; Y277-Y299 HydrophobicContact CD1-CD1 4.45Å; Y277-Y299 AromaticContact CE1-CD1 3.68Å; Y277-Y299 HydrophobicContact CE1-CD1 3.68Å; Y277-Y299 AromaticContact CE1-CE1 3.77Å; Y277-Y299 HydrophobicContact CE1-CE1 3.77Å; Y277-Y299 AromaticContact CZ-CE1 3.99Å; Y277-Y299 WeakPolarHBondContact OH-CE1 3.32Å; Y277-D324 PolarHBondContact OH-OD2 3.29Å
278	N	80	Confident	69.5	Low	35 Å²	35	51.3 Å²	51.3	19%	0.187	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-16.6	178.2	-79.2	-21.1	0	0	0	113.7	T276 R280 I297 D298 Y299 S300	T276-N278 PolarHBondContact O-N 2.85Å; T276-N278 VanDerWaalsContact O-N 3.11Å; N278-R280 PolarHBondContact O-N 2.88Å; N278-I297 VanDerWaalsContact O-O 3.11Å; N278-D298 CarbonylContact O-C 3.52Å; N278-D298 VanDerWaalsContact O-CA 3.31Å; N278-D298 WeakPolarHBondContact O-CA 3.21Å; N278-Y299 PolarHBondContact O-N 2.97Å; N278-S300 PolarHBondContact OD1-OG 2.87Å
279	Q	82.9	Confident	70	Confident	90 Å²	90	57.9 Å²	57.9	42%	0.421	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	106.7	174.9	-72.8	171.7	-14.4	0	0	109.3	T276 W296	T276-Q279 PolarHBondContact O-N 3.22Å; T276-Q279 WeakPolarHBondContact OG1-CG 3.41Å; Q279-W296 HydrophobicContact CB-CE3 4.13Å; Q279-W296 HydrophobicContact CB-CZ3 4.26Å; Q279-W296 WeakPolarHBondContact O-CZ3 3.38Å
280	R	79.1	Confident	70.6	Confident	26 Å²	26	62 Å²	62	10%	0.098	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	143.4	178.5	-61.1	-66.8	-173.2	-168	0.9	111	L266 Y277 N278 W296 I297 Y299	L266-R280 HydrophobicContact CD2-CB 3.59Å; L266-R280 HydrophobicContact CD2-CG 4.05Å; Y277-R280 PolarHBondContact O-NE 2.68Å; Y277-R280 PolarHBondContact O-NH2 3.43Å; N278-R280 PolarHBondContact O-N 2.88Å; R280-W296 WeakPolarHBondContact O-CA 3.31Å; R280-I297 HydrophobicContact CB-CG1 4.38Å; R280-I297 PolarHBondContact N-O 2.81Å; R280-I297 VanDerWaalsContact N-O 3.09Å; R280-I297 WeakPolarHBondContact O-CG1 3.25Å; R280-I297 PolarHBondContact O-N 3.3Å; R280-Y299 HydrophobicContact CG-CD2 4.23Å; R280-Y299 HydrophobicContact CG-CG 4.02Å
281	F	81.6	Confident	71.6	Confident	46 Å²	46	70.1 Å²	70.1	20%	0.202	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	130.9	171.3	-155.7	-123.9	0	0	0	109.4	D267 S270 K294 W296	D267-F281 HydrophobicContact CB-CB 4.34Å; D267-F281 HydrophobicContact CB-CD1 4.14Å; D267-F281 WeakPolarHBondContact CB-O 3.09Å; D267-F281 PolarHBondContact N-O 2.98Å; S270-F281 VanDerWaalsContact OG-CB 3.32Å; S270-F281 WeakPolarHBondContact OG-CB 3.29Å; F281-K294 HydrophobicContact CD1-CB 4.45Å; F281-K294 HydrophobicContact CD1-CD 4.2Å; F281-K294 HydrophobicContact CE1-CB 3.59Å; F281-K294 HydrophobicContact CE1-CD 3.41Å; F281-K294 VanDerWaalsContact CE1-CD 3.41Å; F281-K294 HydrophobicContact CE1-CG 4.12Å; F281-K294 HydrophobicContact CE2-CB 4.24Å; F281-K294 HydrophobicContact CZ-CB 3.44Å; F281-K294 VanDerWaalsContact CZ-CB 3.44Å; F281-K294 HydrophobicContact CZ-CD 4.09Å; F281-K294 HydrophobicContact CZ-CG 4.42Å; F281-W296 HydrophobicContact CB-CE3 4.44Å; F281-W296 HydrophobicContact CB-CH2 4.27Å; F281-W296 HydrophobicContact CB-CZ2 4.44Å; F281-W296 HydrophobicContact CB-CZ3 4.3Å; F281-W296 AromaticContact CD2-CD1 3.91Å; F281-W296 AromaticContact CD2-CD2 3.91Å; F281-W296 HydrophobicContact CD2-CD2 3.91Å; F281-W296 AromaticContact CD2-CE2 3.71Å; F281-W296 HydrophobicContact CD2-CG 4.03Å; F281-W296 HydrophobicContact CD2-CZ2 4.19Å; F281-W296 AromaticContact CD2-NE1 3.72Å; F281-W296 AromaticContact CE2-NE1 3.89Å
282	V	79.6	Confident	72.7	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148.1	179.6	-68	0	0	0	0	111.2	L264 V265 L266 V284 K294 K295 I297	L264-V282 HydrophobicContact CD2-CG2 4.2Å; V265-V282 CarbonylContact O-C 3.6Å; V265-V282 WeakPolarHBondContact O-CA 3.34Å; V265-V282 WeakPolarHBondContact O-CB 3.24Å; L266-V282 HydrophobicContact CD2-CG1 3.47Å; L266-V282 VanDerWaalsContact CD2-CG1 3.47Å; L266-V282 HydrophobicContact CG-CG1 3.91Å; V282-V284 HydrophobicContact CG2-CG2 3.81Å; V282-K294 CarbonylContact O-C 3.53Å; V282-K294 VanDerWaalsContact O-CA 3.29Å; V282-K294 WeakPolarHBondContact O-CA 3.46Å; V282-K295 HydrophobicContact CG2-CG 4.34Å; V282-K295 WeakPolarHBondContact CG2-O 3.28Å; V282-K295 PolarHBondContact N-O 2.85Å; V282-K295 PolarHBondContact O-N 3.25Å; V282-I297 HydrophobicContact CB-CD1 4.33Å; V282-I297 HydrophobicContact CB-CG1 4.37Å; V282-I297 HydrophobicContact CG1-CD1 3.4Å; V282-I297 VanDerWaalsContact CG1-CD1 3.4Å; V282-I297 HydrophobicContact CG1-CG1 3.7Å; V282-I297 HydrophobicContact CG2-CB 4.18Å; V282-I297 HydrophobicContact CG2-CD1 3.94Å; V282-I297 HydrophobicContact CG2-CG1 3.72Å; V282-I297 HydrophobicContact CG2-CG2 3.44Å; V282-I297 VanDerWaalsContact CG2-CG2 3.44Å
283	L	79.2	Confident	74.1	Confident	25 Å²	25	64.9 Å²	64.9	13%	0.131	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	117.7	160.9	-178.8	64.3	0	0	0	108.9	L250 V265 K294	L250-L283 HydrophobicContact CD1-CD2 3.42Å; L250-L283 VanDerWaalsContact CD1-CD2 3.42Å; L250-L283 HydrophobicContact CD1-CG 4.34Å; V265-L283 HydrophobicContact CB-CB 4.28Å; V265-L283 PolarHBondContact N-O 3.37Å; V265-L283 PolarHBondContact O-N 3.38Å; L283-K294 HydrophobicContact CD1-CG 3.9Å
284	V	79.7	Confident	75.4	Confident	6 Å²	6	66.6 Å²	66.6	4%	0.036	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	124.7	-179.6	-172.7	0	0	0	0	109.2	T262 L264 V282 E286 G292 V293 K295	T262-V284 HydrophobicContact CG2-CG1 4.05Å; L264-V284 HydrophobicContact CD2-CB 3.97Å; L264-V284 HydrophobicContact CD2-CG1 3.73Å; L264-V284 HydrophobicContact CD2-CG2 3.6Å; V282-V284 HydrophobicContact CG2-CG2 3.81Å; V284-E286 HydrophobicContact CG1-CG 3.87Å; V284-G292 CarbonylContact O-C 3.47Å; V284-G292 WeakPolarHBondContact O-CA 3.34Å; V284-V293 WeakPolarHBondContact CB-O 3.31Å; V284-V293 PolarHBondContact N-O 2.82Å; V284-V293 PolarHBondContact O-N 3.18Å; V284-K295 HydrophobicContact CG2-CD 3.65Å; V284-K295 VanDerWaalsContact CG2-CE 3.46Å; V284-K295 HydrophobicContact CG2-CG 3.62Å
285	S	78.8	Confident	76.6	Confident	5 Å²	5	64.7 Å²	64.7	4%	0.035	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	100.2	171.2	-178.5	0	0	0	0	109.9	R253 T262 I263	R253-S285 PolarHBondContact NH1-O 3.36Å; R253-S285 PolarHBondContact NH1-OG 3.46Å; T262-S285 WeakPolarHBondContact CA-O 3.49Å; I263-S285 PolarHBondContact N-O 2.95Å; I263-S285 PolarHBondContact O-N 3.28Å
286	E	76	Confident	77.5	Confident	104 Å²	104	69.3 Å²	69.3	49%	0.486	33%	0.328	S	S	.	.			trans	-78.1	-31.5	-177.9	-63.6	-177.2	169.6	0	0	112.6	T262 V284	T262-E286 HydrophobicContact CG2-CG 4.25Å; V284-E286 HydrophobicContact CG1-CG 3.87Å
287	S	72.3	Confident	78	Confident	29 Å²	29	67.1 Å²	67.1	20%	0.203	31%	0.313	C	S	.	.			trans	-144.6	155.8	179.8	79.6	0	0	0	0	111.5	Y289 R290	S287-Y289 PolarHBondContact O-N 3.45Å; S287-Y289 PolarHBondContact OG-N 3.42Å; S287-R290 WeakPolarHBondContact OG-CG 3.24Å; S287-R290 PolarHBondContact OG-N 2.89Å
288	P	69.4	Low	78.5	Confident	24 Å²	24	69.7 Å²	69.7	16%	0.156	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-14.8	175.4	26.2	-34.6	0	0	0	114	R253 T254	R253-P288 HydrophobicContact CB-CB 3.63Å; T254-P288 HydrophobicContact CG2-CB 4.34Å
289	Y	71.5	Confident	78.7	Confident	182 Å²	182	68.2 Å²	68.2	71%	0.714	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-6.9	-174.8	-51.7	-69.7	0	0	0	113.4	S287	S287-Y289 PolarHBondContact O-N 3.45Å; S287-Y289 PolarHBondContact OG-N 3.42Å
290	R	69.9	Low	78.8	Confident	174 Å²	174	64 Å²	64	66%	0.657	30%	0.3	S	S	*	.	S	Bend	trans	-111.9	138.4	178.4	-71	-177.3	-179.3	173.9	-0.3	109.6	S287	S287-R290 WeakPolarHBondContact OG-CG 3.24Å; S287-R290 PolarHBondContact OG-N 2.89Å
291	Q	72.1	Confident	79	Confident	184 Å²	184	65.5 Å²	65.5	86%	0.86	31%	0.313	S	S	*	.			trans	-57.9	142.5	169	-75	-178.8	-12.8	0	0	110.1
292	G	75	Confident	79.1	Confident	34 Å²	34	64 Å²	64	35%	0.351	31%	0.308	S	S	.	.			trans	-64.3	140.6	177.1	0	0	0	0	0	111.3	V284	V284-G292 CarbonylContact O-C 3.47Å; V284-G292 WeakPolarHBondContact O-CA 3.34Å
293	V	80.2	Confident	79.4	Confident	94 Å²	94	64 Å²	64	57%	0.57	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.8	178.6	-179.8	0	0	0	0	108.7	V284	V284-V293 WeakPolarHBondContact CB-O 3.31Å; V284-V293 PolarHBondContact N-O 2.82Å; V284-V293 PolarHBondContact O-N 3.18Å
294	K	82.8	Confident	79.7	Confident	115 Å²	115	63.1 Å²	63.1	50%	0.5	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	129.1	172.3	-60.7	-158.5	-179.4	-165.1	0	110.4	D267 F281 V282 L283	D267-K294 IonicContact OD2-NZ 2.85Å; D267-K294 PolarHBondContact OD2-NZ 3.37Å; F281-K294 HydrophobicContact CD1-CB 4.45Å; F281-K294 HydrophobicContact CD1-CD 4.2Å; F281-K294 HydrophobicContact CE1-CB 3.59Å; F281-K294 HydrophobicContact CE1-CD 3.41Å; F281-K294 VanDerWaalsContact CE1-CD 3.41Å; F281-K294 HydrophobicContact CE1-CG 4.12Å; F281-K294 HydrophobicContact CE2-CB 4.24Å; F281-K294 HydrophobicContact CZ-CB 3.44Å; F281-K294 VanDerWaalsContact CZ-CB 3.44Å; F281-K294 HydrophobicContact CZ-CD 4.09Å; F281-K294 HydrophobicContact CZ-CG 4.42Å; V282-K294 CarbonylContact O-C 3.53Å; V282-K294 VanDerWaalsContact O-CA 3.29Å; V282-K294 WeakPolarHBondContact O-CA 3.46Å; L283-K294 HydrophobicContact CD1-CG 3.9Å
295	K	85.1	Confident	79.9	Confident	89 Å²	89	63.2 Å²	63.2	39%	0.387	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	159.3	177.2	78.7	-172.1	-172.4	-162.4	0	112.4	V282 V284 I297	V282-K295 HydrophobicContact CG2-CG 4.34Å; V282-K295 WeakPolarHBondContact CG2-O 3.28Å; V282-K295 PolarHBondContact N-O 2.85Å; V282-K295 PolarHBondContact O-N 3.25Å; V284-K295 HydrophobicContact CG2-CD 3.65Å; V284-K295 VanDerWaalsContact CG2-CE 3.46Å; V284-K295 HydrophobicContact CG2-CG 3.62Å; K295-I297 HydrophobicContact CG-CG2 4.08Å
296	W	85.1	Confident	80.2	Confident	108 Å²	108	63 Å²	63	41%	0.409	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	136.5	167.9	-70.4	97	0	0	0	110.6	T275 Q279 R280 F281	T275-W296 HydrophobicContact CG2-CH2 3.5Å; T275-W296 HydrophobicContact CG2-CZ2 4.16Å; T275-W296 HydrophobicContact CG2-CZ3 3.76Å; Q279-W296 HydrophobicContact CB-CE3 4.13Å; Q279-W296 HydrophobicContact CB-CZ3 4.26Å; Q279-W296 WeakPolarHBondContact O-CZ3 3.38Å; R280-W296 WeakPolarHBondContact O-CA 3.31Å; F281-W296 HydrophobicContact CB-CE3 4.44Å; F281-W296 HydrophobicContact CB-CH2 4.27Å; F281-W296 HydrophobicContact CB-CZ2 4.44Å; F281-W296 HydrophobicContact CB-CZ3 4.3Å; F281-W296 AromaticContact CD2-CD1 3.91Å; F281-W296 AromaticContact CD2-CD2 3.91Å; F281-W296 HydrophobicContact CD2-CD2 3.91Å; F281-W296 AromaticContact CD2-CE2 3.71Å; F281-W296 HydrophobicContact CD2-CG 4.03Å; F281-W296 HydrophobicContact CD2-CZ2 4.19Å; F281-W296 AromaticContact CD2-NE1 3.72Å; F281-W296 AromaticContact CE2-NE1 3.89Å
297	I	82.4	Confident	80.6	Confident	20 Å²	20	59 Å²	59	10%	0.103	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	161.1	174.3	59.4	154.9	0	0	0	110.8	L264 N278 R280 V282 K295 S302	L264-I297 HydrophobicContact CD1-CD1 4.31Å; N278-I297 VanDerWaalsContact O-O 3.11Å; R280-I297 HydrophobicContact CB-CG1 4.38Å; R280-I297 PolarHBondContact N-O 2.81Å; R280-I297 VanDerWaalsContact N-O 3.09Å; R280-I297 WeakPolarHBondContact O-CG1 3.25Å; R280-I297 PolarHBondContact O-N 3.3Å; V282-I297 HydrophobicContact CB-CD1 4.33Å; V282-I297 HydrophobicContact CB-CG1 4.37Å; V282-I297 HydrophobicContact CG1-CD1 3.4Å; V282-I297 VanDerWaalsContact CG1-CD1 3.4Å; V282-I297 HydrophobicContact CG1-CG1 3.7Å; V282-I297 HydrophobicContact CG2-CB 4.18Å; V282-I297 HydrophobicContact CG2-CD1 3.94Å; V282-I297 HydrophobicContact CG2-CG1 3.72Å; V282-I297 HydrophobicContact CG2-CG2 3.44Å; V282-I297 VanDerWaalsContact CG2-CG2 3.44Å; K295-I297 HydrophobicContact CG-CG2 4.08Å; I297-S302 WeakPolarHBondContact CD1-OG 3.3Å
298	D	85.8	Confident	81.4	Confident	74 Å²	74	58 Å²	58	40%	0.396	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	115	158.6	-173.4	-44.8	0	0	0	108.9	N278 S300 V301 S302	N278-D298 CarbonylContact O-C 3.52Å; N278-D298 VanDerWaalsContact O-CA 3.31Å; N278-D298 WeakPolarHBondContact O-CA 3.21Å; D298-S300 PolarHBondContact OD1-N 3.24Å; D298-V301 HydrophobicContact CB-CB 3.99Å; D298-V301 HydrophobicContact CB-CG2 4.03Å; D298-V301 VanDerWaalsContact CG-CG2 3.49Å; D298-V301 PolarHBondContact OD1-N 2.96Å; D298-S302 VanDerWaalsContact O-CB 3.24Å; D298-S302 WeakPolarHBondContact O-CB 3.37Å; D298-S302 PolarHBondContact O-N 2.71Å; D298-S302 PolarHBondContact O-OG 3.41Å
299	Y	84	Confident	82.2	Confident	3 Å²	3	56.9 Å²	56.9	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-62.2	-49.8	-179	175.2	-117.9	0	0	0	112.1	I216 L231 V233 L266 Y277 N278 R280 V301 S302 L303 D324	I216-Y299 HydrophobicContact CD1-CD1 4.14Å; I216-Y299 HydrophobicContact CD1-CE1 3.81Å; L231-Y299 HydrophobicContact CD2-CE2 4.24Å; V233-Y299 HydrophobicContact CG1-CE2 4.12Å; L266-Y299 HydrophobicContact CD1-CD2 4.12Å; L266-Y299 HydrophobicContact CD1-CE2 3.79Å; L266-Y299 HydrophobicContact CD2-CD2 4.33Å; Y277-Y299 HydrophobicContact CD1-CD1 4.45Å; Y277-Y299 AromaticContact CE1-CD1 3.68Å; Y277-Y299 HydrophobicContact CE1-CD1 3.68Å; Y277-Y299 AromaticContact CE1-CE1 3.77Å; Y277-Y299 HydrophobicContact CE1-CE1 3.77Å; Y277-Y299 AromaticContact CZ-CE1 3.99Å; Y277-Y299 WeakPolarHBondContact OH-CE1 3.32Å; N278-Y299 PolarHBondContact O-N 2.97Å; R280-Y299 HydrophobicContact CG-CD2 4.23Å; R280-Y299 HydrophobicContact CG-CG 4.02Å; Y299-V301 PolarHBondContact O-N 2.85Å; Y299-S302 PolarHBondContact O-N 2.86Å; Y299-L303 HydrophobicContact CE1-CD2 4.25Å; Y299-L303 HydrophobicContact CE2-CD1 4.5Å; Y299-L303 HydrophobicContact CE2-CD2 4.46Å; Y299-L303 WeakPolarHBondContact O-CB 3.37Å; Y299-L303 PolarHBondContact O-N 3.11Å; Y299-D324 HydrophobicContact CE1-CB 4.49Å; Y299-D324 WeakPolarHBondContact CE1-OD2 3.36Å; Y299-D324 PolarHBondContact OH-OD2 3.21Å
300	S	85	Confident	82.9	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.007	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-44.9	-177.8	-72.1	0	0	0	0	110.9	N217 N278 D298 L303 C304	N217-S300 PolarHBondContact N-OG 2.77Å; N217-S300 WeakPolarHBondContact O-CB 3.37Å; N278-S300 PolarHBondContact OD1-OG 2.87Å; D298-S300 PolarHBondContact OD1-N 3.24Å; S300-L303 PolarHBondContact O-N 3.01Å; S300-C304 VanDerWaalsContact O-CB 3.3Å; S300-C304 WeakPolarHBondContact O-CB 3.27Å; S300-C304 PolarHBondContact O-N 3Å
301	V	83.7	Confident	83.6	Confident	59 Å²	59	40.1 Å²	40.1	36%	0.358	21%	0.205	S	C	.	.	H	α-helix	trans	-64.6	-42.8	177.2	175.7	0	0	0	0	111.5	D298 Y299 S305	D298-V301 HydrophobicContact CB-CB 3.99Å; D298-V301 HydrophobicContact CB-CG2 4.03Å; D298-V301 VanDerWaalsContact CG-CG2 3.49Å; D298-V301 PolarHBondContact OD1-N 2.96Å; Y299-V301 PolarHBondContact O-N 2.85Å; V301-S305 VanDerWaalsContact O-CB 3.31Å; V301-S305 WeakPolarHBondContact O-CB 3.38Å; V301-S305 PolarHBondContact O-N 3.09Å; V301-S305 VanDerWaalsContact O-N 3.08Å; V301-S305 PolarHBondContact O-OG 2.98Å
302	S	83.8	Confident	83.8	Confident	14 Å²	14	31.5 Å²	31.5	10%	0.098	17%	0.165	C	C	.	.	H	α-helix	trans	-69.1	-38.8	-179.5	-58.4	0	0	0	0	111.7	I297 D298 Y299 S305 S306	I297-S302 WeakPolarHBondContact CD1-OG 3.3Å; D298-S302 VanDerWaalsContact O-CB 3.24Å; D298-S302 WeakPolarHBondContact O-CB 3.37Å; D298-S302 PolarHBondContact O-N 2.71Å; D298-S302 PolarHBondContact O-OG 3.41Å; Y299-S302 PolarHBondContact O-N 2.86Å; S302-S305 WeakPolarHBondContact CA-OG 3.47Å; S302-S305 PolarHBondContact O-N 3.18Å; S302-S305 PolarHBondContact O-OG 3.37Å; S302-S306 WeakPolarHBondContact O-CB 3.46Å; S302-S306 PolarHBondContact O-N 3.4Å; S302-S306 VanDerWaalsContact O-N 3.13Å; S302-S306 PolarHBondContact O-OG 3.5Å
303	L	85.6	Confident	83.5	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67.4	-50.1	178	-174.3	72.1	0	0	0	111.7	I216 L231 V233 Y299 S300 S305 S306 C309 D324 C328	I216-L303 HydrophobicContact CD1-CD2 3.94Å; L231-L303 HydrophobicContact CD2-CB 4.15Å; L231-L303 HydrophobicContact CD2-CD1 3.49Å; L231-L303 VanDerWaalsContact CD2-CD1 3.49Å; L231-L303 HydrophobicContact CD2-CG 4.44Å; V233-L303 HydrophobicContact CG2-CD1 4.32Å; Y299-L303 HydrophobicContact CE1-CD2 4.25Å; Y299-L303 HydrophobicContact CE2-CD1 4.5Å; Y299-L303 HydrophobicContact CE2-CD2 4.46Å; Y299-L303 WeakPolarHBondContact O-CB 3.37Å; Y299-L303 PolarHBondContact O-N 3.11Å; S300-L303 PolarHBondContact O-N 3.01Å; L303-S305 PolarHBondContact O-N 3Å; L303-S306 WeakPolarHBondContact O-CB 3.12Å; L303-S306 PolarHBondContact O-N 3.18Å; L303-C309 WeakPolarHBondContact CD1-SG 3.31Å; L303-D324 HydrophobicContact CD2-CB 3.4Å; L303-D324 VanDerWaalsContact CD2-CB 3.4Å; L303-D324 WeakPolarHBondContact CD2-O 3.21Å; L303-C328 HydrophobicContact CB-CB 4.49Å; L303-C328 HydrophobicContact CD2-CB 4.02Å; L303-C328 HydrophobicContact CG-CB 3.84Å
304	C	86.3	Confident	82.3	Confident	7 Å²	7	29.5 Å²	29.5	5%	0.047	14%	0.144	C	C	.	.	H	α-helix	trans	-67.9	-19.5	178.9	-81.4	0	0	0	0	113.6	M219 I223 S300 C328	M219-C304 HydrophobicContact CB-CB 4.28Å; I223-C304 HydrophobicContact CD1-CB 4.2Å; S300-C304 VanDerWaalsContact O-CB 3.3Å; S300-C304 WeakPolarHBondContact O-CB 3.27Å; S300-C304 PolarHBondContact O-N 3Å; C304-C328 WeakPolarHBondContact CA-SG 3.47Å; C304-C328 HydrophobicContact CB-CB 3.89Å; C304-C328 WeakPolarHBondContact CB-SG 3.37Å; C304-C328 PolarHBondContact N-SG 3Å; C304-C328 WeakPolarHBondContact SG-CA 3.49Å; C304-C328 WeakPolarHBondContact SG-CB 3.47Å; C304-C328 CovalentContact SG-SG 2.05Å; C304-C328 PolarHBondContact SG-SG 3.05Å
305	S	83.1	Confident	81.4	Confident	8 Å²	8	26.4 Å²	26.4	6%	0.056	13%	0.133	C	C	.	.	H	α-helix	trans	-89.4	-13.3	171.5	56.5	0	0	0	0	114	R226 V301 S302 L303	R226-S305 WeakPolarHBondContact CB-O 3.36Å; V301-S305 VanDerWaalsContact O-CB 3.31Å; V301-S305 WeakPolarHBondContact O-CB 3.38Å; V301-S305 PolarHBondContact O-N 3.09Å; V301-S305 VanDerWaalsContact O-N 3.08Å; V301-S305 PolarHBondContact O-OG 2.98Å; S302-S305 WeakPolarHBondContact CA-OG 3.47Å; S302-S305 PolarHBondContact O-N 3.18Å; S302-S305 PolarHBondContact O-OG 3.37Å; L303-S305 PolarHBondContact O-N 3Å
306	S	85	Confident	80.3	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.			trans	-73.8	148.7	-175.7	-68.7	0	0	0	0	112.9	I229 L231 S302 L303	I229-S306 WeakPolarHBondContact CB-OG 3.22Å; I229-S306 VanDerWaalsContact CG2-OG 3.23Å; I229-S306 WeakPolarHBondContact CG2-OG 3.36Å; I229-S306 WeakPolarHBondContact O-CB 3.31Å; L231-S306 WeakPolarHBondContact CB-OG 3.39Å; S302-S306 WeakPolarHBondContact O-CB 3.46Å; S302-S306 PolarHBondContact O-N 3.4Å; S302-S306 VanDerWaalsContact O-N 3.13Å; S302-S306 PolarHBondContact O-OG 3.5Å; L303-S306 WeakPolarHBondContact O-CB 3.12Å; L303-S306 PolarHBondContact O-N 3.18Å
307	E	85.1	Confident	79.3	Confident	19 Å²	19	20.4 Å²	20.4	9%	0.089	11%	0.113	C	C	.	.	S	Bend	trans	-86.1	-46.5	178.9	156.4	140.9	130.3	0	0	111.2	T228 I229 R261 I331 K376 R380	T228-E307 HydrophobicContact CG2-CB 4.4Å; I229-E307 PolarHBondContact O-N 2.74Å; I229-E307 VanDerWaalsContact O-N 3.15Å; R261-E307 IonicContact CZ-OE1 3.91Å; R261-E307 IonicContact NH1-OE1 2.84Å; R261-E307 PolarHBondContact NH1-OE1 3.14Å; E307-I331 PolarHBondContact O-N 2.98Å; E307-I331 VanDerWaalsContact O-N 3.17Å; E307-K376 WeakPolarHBondContact OE1-CD 3.22Å; E307-K376 IonicContact OE1-NZ 3.76Å; E307-K376 PolarHBondContact OE1-NZ 3.11Å; E307-R380 VanDerWaalsContact CB-NH2 3.33Å; E307-R380 PolarHBondContact O-NH2 3.07Å; E307-R380 IonicContact OE2-CZ 2.67Å; E307-R380 IonicContact OE2-NH1 3.66Å; E307-R380 IonicContact OE2-NH2 2.68Å; E307-R380 PolarHBondContact OE2-NH2 2.9Å
308	F	87.8	Confident	78.8	Confident	9 Å²	9	19.5 Å²	19.5	4%	0.039	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.3	178.8	-63.3	-69.2	0	0	0	109.9	F230 L231 I331 V333 I354 L368 K376	F230-F308 HydrophobicContact CD2-CB 3.64Å; F230-F308 HydrophobicContact CD2-CD2 4.21Å; F230-F308 HydrophobicContact CD2-CG 4.36Å; F230-F308 HydrophobicContact CE2-CB 3.56Å; F230-F308 HydrophobicContact CE2-CD2 4.34Å; F230-F308 HydrophobicContact CE2-CG 4.23Å; L231-F308 PolarHBondContact N-O 2.62Å; F308-I331 CarbonylContact C-O 3.57Å; F308-I331 VanDerWaalsContact CA-O 3.32Å; F308-I331 WeakPolarHBondContact CA-O 3.41Å; F308-I331 HydrophobicContact CD1-CB 3.72Å; F308-I331 HydrophobicContact CD1-CD1 4.32Å; F308-I331 HydrophobicContact CD1-CG2 3.87Å; F308-I331 HydrophobicContact CE1-CB 4.14Å; F308-I331 HydrophobicContact CE1-CD1 3.98Å; F308-I331 HydrophobicContact CE1-CG2 4.05Å; F308-V333 HydrophobicContact CB-CG2 4.01Å; F308-V333 HydrophobicContact CD1-CG2 3.89Å; F308-V333 HydrophobicContact CG-CG2 4.24Å; F308-I354 HydrophobicContact CD1-CD1 4.25Å; F308-I354 HydrophobicContact CE1-CD1 3.71Å; F308-L368 HydrophobicContact CD1-CD2 4.16Å; F308-L368 HydrophobicContact CD2-CD1 4.37Å; F308-L368 HydrophobicContact CE1-CD2 4.03Å; F308-L368 HydrophobicContact CE2-CB 4.18Å; F308-L368 HydrophobicContact CG-CD1 4.48Å; F308-L368 HydrophobicContact CZ-CB 4.36Å; F308-L368 HydrophobicContact CZ-CD2 4.24Å; F308-K376 HydrophobicContact CZ-CD 3.93Å; F308-K376 HydrophobicContact CZ-CG 4.27Å
309	C	87.8	Confident	78.5	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	105.8	177.6	-75	0	0	0	0	108.5	L231 V233 L303 C330 I331 P332 V333	L231-C309 WeakPolarHBondContact O-CA 3.43Å; V233-C309 HydrophobicContact CG2-CB 4.39Å; L303-C309 WeakPolarHBondContact CD1-SG 3.31Å; C309-C330 VanDerWaalsContact CA-SG 3.59Å; C309-C330 HydrophobicContact CB-CB 4.04Å; C309-C330 WeakPolarHBondContact CB-SG 3.48Å; C309-C330 PolarHBondContact N-SG 2.82Å; C309-C330 WeakPolarHBondContact SG-CB 3.27Å; C309-C330 CovalentContact SG-SG 2.03Å; C309-C330 PolarHBondContact SG-SG 2.79Å; C309-I331 PolarHBondContact N-O 3.1Å; C309-P332 WeakPolarHBondContact O-CA 3.31Å; C309-V333 PolarHBondContact O-N 2.96Å
310	L	85.4	Confident	78.5	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	122.3	-179.9	-178.3	60.5	0	0	0	109.5	F230 L231 I232 V233 L249 I312 V333 V335 I364	F230-L310 HydrophobicContact CD1-CB 4.46Å; F230-L310 HydrophobicContact CE1-CB 3.56Å; F230-L310 HydrophobicContact CE1-CD2 3.52Å; F230-L310 HydrophobicContact CE1-CG 4.1Å; F230-L310 HydrophobicContact CE2-CB 4.48Å; F230-L310 HydrophobicContact CZ-CB 3.57Å; F230-L310 HydrophobicContact CZ-CD1 4.38Å; F230-L310 HydrophobicContact CZ-CD2 3.89Å; F230-L310 HydrophobicContact CZ-CG 4.14Å; L231-L310 PolarHBondContact O-N 3.46Å; I232-L310 HydrophobicContact CG1-CD2 4.48Å; I232-L310 HydrophobicContact CG2-CB 4.35Å; I232-L310 HydrophobicContact CG2-CD2 4.32Å; I232-L310 HydrophobicContact CG2-CG 4.44Å; V233-L310 PolarHBondContact N-O 2.69Å; V233-L310 VanDerWaalsContact N-O 3.09Å; L249-L310 HydrophobicContact CD1-CD2 3.74Å; L310-I312 HydrophobicContact CD1-CG1 4.04Å; L310-I312 HydrophobicContact CD2-CD1 3.8Å; L310-I312 HydrophobicContact CD2-CG1 4.06Å; L310-I312 HydrophobicContact CG-CD1 4.03Å; L310-I312 HydrophobicContact CG-CG1 3.73Å; L310-V333 HydrophobicContact CD1-CB 3.98Å; L310-V333 HydrophobicContact CD1-CG1 3.78Å; L310-V333 WeakPolarHBondContact CD1-O 3.4Å; L310-V335 HydrophobicContact CD1-CG2 3.63Å; L310-I364 HydrophobicContact CD1-CD1 4.16Å; L310-I364 HydrophobicContact CD2-CD1 4.5Å
311	I	84.1	Confident	78.4	Confident	4 Å²	4	17.9 Å²	17.9	2%	0.021	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	107.9	-177.8	-57.7	161	0	0	0	106.5	N318 L322 P332 V333 V335	I311-N318 HydrophobicContact CG2-CB 4.05Å; I311-L322 HydrophobicContact CD1-CB 3.88Å; I311-L322 HydrophobicContact CD1-CD1 3.51Å; I311-L322 HydrophobicContact CD1-CG 4.31Å; I311-P332 HydrophobicContact CD1-CB 3.9Å; I311-V333 PolarHBondContact N-O 3.17Å; I311-V335 PolarHBondContact O-N 3.41Å
312	I	76.3	Confident	78.6	Confident	3 Å²	3	15.3 Å²	15.3	2%	0.015	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.3	-175.7	-47.6	168.3	0	0	0	107.4	F234 L241 V245 L310 N318 V335 F361	F234-I312 HydrophobicContact CD2-CB 3.61Å; F234-I312 HydrophobicContact CD2-CD1 4.19Å; F234-I312 HydrophobicContact CD2-CG1 4.32Å; F234-I312 HydrophobicContact CD2-CG2 4.32Å; F234-I312 VanDerWaalsContact CD2-O 3.28Å; F234-I312 WeakPolarHBondContact CD2-O 3.25Å; F234-I312 HydrophobicContact CE2-CB 3.78Å; F234-I312 HydrophobicContact CE2-CG2 3.96Å; F234-I312 WeakPolarHBondContact CE2-O 3.45Å; F234-I312 HydrophobicContact CG-CD1 4.44Å; L241-I312 HydrophobicContact CD1-CG2 4.49Å; L241-I312 HydrophobicContact CD2-CG2 4.03Å; V245-I312 HydrophobicContact CB-CD1 4.38Å; V245-I312 HydrophobicContact CG1-CD1 3.94Å; V245-I312 HydrophobicContact CG2-CD1 3.41Å; V245-I312 VanDerWaalsContact CG2-CD1 3.41Å; L310-I312 HydrophobicContact CD1-CG1 4.04Å; L310-I312 HydrophobicContact CD2-CD1 3.8Å; L310-I312 HydrophobicContact CD2-CG1 4.06Å; L310-I312 HydrophobicContact CG-CD1 4.03Å; L310-I312 HydrophobicContact CG-CG1 3.73Å; I312-N318 PolarHBondContact O-ND2 3.37Å; I312-V335 HydrophobicContact CG1-CB 4.3Å; I312-V335 HydrophobicContact CG1-CG2 4.48Å; I312-V335 HydrophobicContact CG2-CB 4.34Å; I312-V335 HydrophobicContact CG2-CG1 4.49Å; I312-F361 HydrophobicContact CD1-CE2 3.62Å; I312-F361 HydrophobicContact CD1-CZ 4.13Å; I312-F361 HydrophobicContact CG1-CE2 4.34Å
313	D	68.9	Low	79	Confident	74 Å²	74	14.9 Å²	14.9	40%	0.396	8%	0.078	S	C	.	.	S	Bend	trans	61.8	138.4	-178.1	-159.9	-0.7	0	0	0	112.5	L241 N318 V335	L241-D313 HydrophobicContact CD2-CB 4.42Å; D313-N318 WeakPolarHBondContact O-CB 3.37Å; D313-N318 VanDerWaalsContact O-CG 3.27Å; D313-N318 PolarHBondContact O-ND2 3.32Å; D313-V335 PolarHBondContact N-O 3.1Å
314	A	55	Low	79.2	Confident	12 Å²	12	14.9 Å²	14.9	10%	0.099	8%	0.078	C	C	.	.			trans	-114	54	-165.9	0	0	0	0	0	112.3	R319 N336 I339	A314-R319 PolarHBondContact O-NE 3.36Å; A314-R319 PolarHBondContact O-NH2 3.23Å; A314-N336 WeakPolarHBondContact CB-ND2 3.31Å; A314-N336 PolarHBondContact N-ND2 3.38Å; A314-I339 HydrophobicContact CB-CB 4.05Å; A314-I339 HydrophobicContact CB-CD1 3.67Å; A314-I339 HydrophobicContact CB-CG1 3.8Å
315	D	63.2	Low	79.4	Confident	50 Å²	50	14.5 Å²	14.5	27%	0.267	8%	0.076	S	C	.	.			trans	-61.1	171.7	163.4	75.3	-2	0	0	0	110.8	L317 N318 R319	D315-L317 PolarHBondContact O-N 2.88Å; D315-L317 VanDerWaalsContact O-N 3.14Å; D315-L317 WeakPolarHBondContact OD1-CB 3.43Å; D315-L317 PolarHBondContact OD1-N 3.33Å; D315-L317 VanDerWaalsContact OD1-N 3.16Å; D315-N318 PolarHBondContact O-N 2.74Å; D315-N318 WeakPolarHBondContact OD1-CB 3.47Å; D315-N318 VanDerWaalsContact OD1-CG 3.27Å; D315-N318 PolarHBondContact OD1-N 2.93Å; D315-N318 PolarHBondContact OD1-ND2 3.03Å; D315-R319 WeakPolarHBondContact O-CG 3.48Å; D315-R319 PolarHBondContact O-N 2.65Å
316	N	63.4	Low	79.8	Confident	28 Å²	28	14.4 Å²	14.4	15%	0.15	8%	0.075	C	C	.	.	H	α-helix	trans	-55.6	-32.8	-179.3	-76.8	-16.7	0	0	0	112.3	L178 S179 R319 F320	L178-N316 HydrophobicContact CD2-CB 3.95Å; S179-N316 VanDerWaalsContact CB-OD1 3.27Å; S179-N316 WeakPolarHBondContact CB-OD1 3.32Å; S179-N316 PolarHBondContact N-OD1 3.12Å; S179-N316 PolarHBondContact OG-ND2 3.06Å; S179-N316 PolarHBondContact OG-OD1 3Å; N316-R319 PolarHBondContact O-N 3.41Å; N316-F320 VanDerWaalsContact O-CD2 3.32Å; N316-F320 WeakPolarHBondContact O-CD2 3.25Å; N316-F320 PolarHBondContact O-N 3.22Å
317	L	63.7	Low	80.1	Confident	44 Å²	44	14.8 Å²	14.8	23%	0.23	8%	0.078	C	C	.	.	H	α-helix	trans	-72.7	-45	-177.5	-65.5	164	0	0	0	111.1	Q235 D315 R319 F320 N321	Q235-L317 HydrophobicContact CB-CB 4.14Å; Q235-L317 HydrophobicContact CB-CD1 3.95Å; Q235-L317 VanDerWaalsContact OE1-CD1 3.23Å; D315-L317 PolarHBondContact O-N 2.88Å; D315-L317 VanDerWaalsContact O-N 3.14Å; D315-L317 WeakPolarHBondContact OD1-CB 3.43Å; D315-L317 PolarHBondContact OD1-N 3.33Å; D315-L317 VanDerWaalsContact OD1-N 3.16Å; L317-R319 PolarHBondContact O-N 3.12Å; L317-F320 WeakPolarHBondContact O-CB 3.48Å; L317-F320 PolarHBondContact O-N 3.01Å; L317-N321 PolarHBondContact O-N 2.95Å; L317-N321 PolarHBondContact O-ND2 2.97Å; L317-N321 PolarHBondContact O-OD1 3.34Å
318	N	71.4	Confident	80.3	Confident	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-67.5	-19.7	178.4	-66.8	-27.8	0	0	0	112.8	V233 Q235 I311 I312 D313 D315 N321 L322	V233-N318 PolarHBondContact O-OD1 3.32Å; Q235-N318 PolarHBondContact N-OD1 3.38Å; Q235-N318 VanDerWaalsContact N-OD1 3.17Å; Q235-N318 PolarHBondContact O-ND2 3.33Å; I311-N318 HydrophobicContact CG2-CB 4.05Å; I312-N318 PolarHBondContact O-ND2 3.37Å; D313-N318 WeakPolarHBondContact O-CB 3.37Å; D313-N318 VanDerWaalsContact O-CG 3.27Å; D313-N318 PolarHBondContact O-ND2 3.32Å; D315-N318 PolarHBondContact O-N 2.74Å; D315-N318 WeakPolarHBondContact OD1-CB 3.47Å; D315-N318 VanDerWaalsContact OD1-CG 3.27Å; D315-N318 PolarHBondContact OD1-N 2.93Å; D315-N318 PolarHBondContact OD1-ND2 3.03Å; N318-N321 PolarHBondContact OD1-ND2 2.91Å; N318-L322 PolarHBondContact O-N 2.83Å
319	R	80.1	Confident	80.4	Confident	21 Å²	21	14.3 Å²	14.3	8%	0.079	8%	0.079	C	C	.	.	H	α-helix	trans	-71.4	-38.5	169.8	-66.3	166.6	-173.9	-90.5	3.3	112.4	A194 H196 A211 A314 D315 N316 L317 L322 Y323	A194-R319 VanDerWaalsContact O-CD 3.24Å; A194-R319 WeakPolarHBondContact O-CD 3.21Å; A194-R319 PolarHBondContact O-NH1 3.33Å; H196-R319 PolarHBondContact O-NH1 3.15Å; H196-R319 PolarHBondContact O-NH2 2.89Å; A211-R319 HydrophobicContact CB-CB 3.93Å; A314-R319 PolarHBondContact O-NE 3.36Å; A314-R319 PolarHBondContact O-NH2 3.23Å; D315-R319 WeakPolarHBondContact O-CG 3.48Å; D315-R319 PolarHBondContact O-N 2.65Å; N316-R319 PolarHBondContact O-N 3.41Å; L317-R319 PolarHBondContact O-N 3.12Å; R319-L322 PolarHBondContact O-N 3.14Å; R319-Y323 PolarHBondContact O-N 3.19Å
320	F	83.6	Confident	80.4	Confident	10 Å²	10	14.3 Å²	14.3	4%	0.044	8%	0.079	C	C	.	.	H	α-helix	trans	-67.2	-40.6	169.9	-68.4	-61.7	0	0	0	111.5	L40 L178 A211 N213 N316 L317 L322 Y323 D324	L40-F320 HydrophobicContact CD2-CD2 4.02Å; L40-F320 HydrophobicContact CD2-CE2 3.82Å; L40-F320 HydrophobicContact CD2-CZ 4.23Å; L178-F320 HydrophobicContact CD1-CE2 4.4Å; L178-F320 HydrophobicContact CD1-CZ 4.07Å; L178-F320 HydrophobicContact CD2-CE2 3.45Å; L178-F320 VanDerWaalsContact CD2-CE2 3.45Å; L178-F320 HydrophobicContact CD2-CZ 3.44Å; L178-F320 VanDerWaalsContact CD2-CZ 3.44Å; L178-F320 HydrophobicContact CG-CE2 4.3Å; L178-F320 HydrophobicContact CG-CZ 3.86Å; A211-F320 HydrophobicContact CB-CD1 3.69Å; A211-F320 HydrophobicContact CB-CE1 3.9Å; A211-F320 HydrophobicContact CB-CG 4.3Å; A211-F320 WeakPolarHBondContact O-CD1 3.31Å; N213-F320 HydrophobicContact CB-CD1 3.93Å; N316-F320 VanDerWaalsContact O-CD2 3.32Å; N316-F320 WeakPolarHBondContact O-CD2 3.25Å; N316-F320 PolarHBondContact O-N 3.22Å; L317-F320 WeakPolarHBondContact O-CB 3.48Å; L317-F320 PolarHBondContact O-N 3.01Å; F320-L322 PolarHBondContact O-N 3.41Å; F320-Y323 CarbonylContact O-C 3.58Å; F320-Y323 WeakPolarHBondContact O-CA 3.19Å; F320-Y323 WeakPolarHBondContact O-CB 3.34Å; F320-Y323 PolarHBondContact O-N 3.28Å; F320-D324 PolarHBondContact O-N 3.48Å
321	N	83.1	Confident	80.7	Confident	12 Å²	12	14.3 Å²	14.3	6%	0.064	8%	0.079	C	C	.	.	H	α-helix	trans	-59.5	-37.7	177.2	-62.3	-19.8	0	0	0	112	V233 L317 N318 S325	V233-N321 HydrophobicContact CB-CB 3.73Å; V233-N321 HydrophobicContact CG1-CB 3.45Å; V233-N321 VanDerWaalsContact CG1-CB 3.45Å; V233-N321 WeakPolarHBondContact CG1-ND2 3.49Å; V233-N321 WeakPolarHBondContact CG1-OD1 3.45Å; V233-N321 PolarHBondContact O-ND2 2.99Å; L317-N321 PolarHBondContact O-N 2.95Å; L317-N321 PolarHBondContact O-ND2 2.97Å; L317-N321 PolarHBondContact O-OD1 3.34Å; N318-N321 PolarHBondContact OD1-ND2 2.91Å; N321-S325 VanDerWaalsContact O-CB 3.3Å; N321-S325 WeakPolarHBondContact O-CB 3.42Å; N321-S325 PolarHBondContact O-N 3.08Å; N321-S325 PolarHBondContact O-OG 3.21Å
322	L	89.2	Confident	81.1	Confident	5 Å²	5	14.1 Å²	14.1	3%	0.026	8%	0.078	C	C	.	.	H	α-helix	trans	-61.7	-48.9	171.4	-177.8	62.2	0	0	0	111.5	I311 N318 R319 F320 D324 S325 L326 P332 I334 I339 L341 W349	I311-L322 HydrophobicContact CD1-CB 3.88Å; I311-L322 HydrophobicContact CD1-CD1 3.51Å; I311-L322 HydrophobicContact CD1-CG 4.31Å; N318-L322 PolarHBondContact O-N 2.83Å; R319-L322 PolarHBondContact O-N 3.14Å; F320-L322 PolarHBondContact O-N 3.41Å; L322-D324 PolarHBondContact O-N 2.89Å; L322-S325 PolarHBondContact O-N 3.26Å; L322-S325 PolarHBondContact O-OG 3Å; L322-L326 WeakPolarHBondContact O-CG 2.75Å; L322-L326 PolarHBondContact O-N 2.92Å; L322-P332 HydrophobicContact CD1-CB 3.83Å; L322-P332 HydrophobicContact CD1-CG 4.37Å; L322-I334 HydrophobicContact CD1-CD1 3.84Å; L322-I334 HydrophobicContact CD1-CG1 4.34Å; L322-I339 HydrophobicContact CD2-CD1 4.41Å; L322-L341 HydrophobicContact CD2-CD2 3.88Å; L322-W349 HydrophobicContact CD1-CH2 4.34Å; L322-W349 HydrophobicContact CD1-CZ3 4.01Å; L322-W349 HydrophobicContact CD2-CH2 3.92Å; L322-W349 HydrophobicContact CD2-CZ3 4.21Å; L322-W349 HydrophobicContact CG-CH2 4.28Å; L322-W349 HydrophobicContact CG-CZ3 4.44Å
323	Y	91.4	Very high	81.8	Confident	5 Å²	5	14 Å²	14	2%	0.02	8%	0.078	C	C	.	.	H	α-helix	trans	-57.6	-49.6	176.3	176.4	-93.6	0	0	0	112	P210 A211 F212 N213 I216 R319 F320 S325 L326 A327 Y387 F391	P210-Y323 HydrophobicContact CB-CD2 3.97Å; A211-Y323 VanDerWaalsContact O-CB 3.24Å; A211-Y323 WeakPolarHBondContact O-CB 3.38Å; A211-Y323 VanDerWaalsContact O-CG 3.25Å; F212-Y323 HydrophobicContact CD2-CE1 4.47Å; F212-Y323 HydrophobicContact CD2-CE2 4.06Å; F212-Y323 AromaticContact CD2-CZ 3.66Å; F212-Y323 WeakPolarHBondContact CD2-OH 3.48Å; F212-Y323 WeakPolarHBondContact CE2-OH 3.28Å; N213-Y323 HydrophobicContact CB-CD1 3.67Å; N213-Y323 HydrophobicContact CB-CE1 3.94Å; I216-Y323 HydrophobicContact CG2-CE1 4.08Å; R319-Y323 PolarHBondContact O-N 3.19Å; F320-Y323 CarbonylContact O-C 3.58Å; F320-Y323 WeakPolarHBondContact O-CA 3.19Å; F320-Y323 WeakPolarHBondContact O-CB 3.34Å; F320-Y323 PolarHBondContact O-N 3.28Å; Y323-S325 VanDerWaalsContact C-N 3.31Å; Y323-S325 PolarHBondContact O-N 3.49Å; Y323-L326 PolarHBondContact O-N 2.89Å; Y323-A327 PolarHBondContact O-N 3.39Å; Y323-Y387 HydrophobicContact CE2-CE2 4.02Å; Y323-Y387 AromaticContact CZ-CE2 3.92Å; Y323-Y387 PolarHBondContact OH-OH 3.25Å; Y323-F391 HydrophobicContact CE2-CB 4.22Å; Y323-F391 WeakPolarHBondContact CE2-O 3.44Å; Y323-F391 PolarHBondContact OH-O 3.1Å
324	D	89.4	Confident	82.7	Confident	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62.3	-40.3	-179.2	-58.6	-20.8	0	0	0	111.3	N213 I216 Y277 Y299 L303 F320 L322 L326 A327 C328	N213-D324 WeakPolarHBondContact CB-OD1 3.4Å; N213-D324 PolarHBondContact ND2-OD1 2.67Å; N213-D324 PolarHBondContact ND2-OD2 3.36Å; I216-D324 HydrophobicContact CD1-CB 4.03Å; I216-D324 HydrophobicContact CG1-CB 4.22Å; Y277-D324 PolarHBondContact OH-OD2 3.29Å; Y299-D324 HydrophobicContact CE1-CB 4.49Å; Y299-D324 WeakPolarHBondContact CE1-OD2 3.36Å; Y299-D324 PolarHBondContact OH-OD2 3.21Å; L303-D324 HydrophobicContact CD2-CB 3.4Å; L303-D324 VanDerWaalsContact CD2-CB 3.4Å; L303-D324 WeakPolarHBondContact CD2-O 3.21Å; F320-D324 PolarHBondContact O-N 3.48Å; L322-D324 PolarHBondContact O-N 2.89Å; D324-L326 VanDerWaalsContact C-N 3.29Å; D324-L326 PolarHBondContact O-N 2.94Å; D324-A327 WeakPolarHBondContact O-CB 3.35Å; D324-A327 PolarHBondContact O-N 2.93Å; D324-C328 WeakPolarHBondContact O-CB 3.06Å; D324-C328 PolarHBondContact O-N 3.13Å
325	S	90.2	Very high	84	Confident	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-59.9	-40.9	178.6	74.6	0	0	0	0	111.9	N321 L322 Y323 G329 C330	N321-S325 VanDerWaalsContact O-CB 3.3Å; N321-S325 WeakPolarHBondContact O-CB 3.42Å; N321-S325 PolarHBondContact O-N 3.08Å; N321-S325 PolarHBondContact O-OG 3.21Å; L322-S325 PolarHBondContact O-N 3.26Å; L322-S325 PolarHBondContact O-OG 3Å; Y323-S325 VanDerWaalsContact C-N 3.31Å; Y323-S325 PolarHBondContact O-N 3.49Å; S325-G329 PolarHBondContact O-N 3.2Å; S325-G329 VanDerWaalsContact O-N 3.16Å; S325-C330 WeakPolarHBondContact O-CB 3.5Å; S325-C330 PolarHBondContact O-N 3.27Å; S325-C330 VanDerWaalsContact O-O 3.14Å
326	L	92.3	Very high	84.6	Confident	5 Å²	5	8.6 Å²	8.6	3%	0.026	5%	0.047	C	C	.	.	H	α-helix	trans	-68.6	-43.2	175.9	-65	173.1	0	0	0	111	L322 Y323 D324 C328 G329 P332 W349 I383 Y387 F391	L322-L326 WeakPolarHBondContact O-CG 2.75Å; L322-L326 PolarHBondContact O-N 2.92Å; Y323-L326 PolarHBondContact O-N 2.89Å; D324-L326 VanDerWaalsContact C-N 3.29Å; D324-L326 PolarHBondContact O-N 2.94Å; L326-C328 VanDerWaalsContact C-N 3.29Å; L326-C328 PolarHBondContact O-N 3.16Å; L326-G329 PolarHBondContact O-N 2.9Å; L326-G329 VanDerWaalsContact O-N 3.08Å; L326-P332 HydrophobicContact CD2-CG 4.02Å; L326-W349 HydrophobicContact CD1-CH2 3.82Å; L326-W349 HydrophobicContact CD1-CZ3 4.28Å; L326-I383 HydrophobicContact CB-CG2 4.27Å; L326-I383 HydrophobicContact CD2-CG1 4.16Å; L326-I383 HydrophobicContact CD2-CG2 3.76Å; L326-I383 WeakPolarHBondContact O-CG2 3.28Å; L326-Y387 HydrophobicContact CB-CD2 4.25Å; L326-F391 HydrophobicContact CD1-CD2 3.87Å; L326-F391 HydrophobicContact CD1-CE2 3.72Å
327	A	91.8	Very high	85.1	Confident	9 Å²	9	11.3 Å²	11.3	7%	0.074	6%	0.062	C	C	.	.	H	α-helix	trans	-57.7	-42.1	178.4	0	0	0	0	0	112.4	V218 Y323 D324 Y387	V218-A327 WeakPolarHBondContact CG1-O 3.29Å; V218-A327 HydrophobicContact CG2-CB 3.78Å; Y323-A327 PolarHBondContact O-N 3.39Å; D324-A327 WeakPolarHBondContact O-CB 3.35Å; D324-A327 PolarHBondContact O-N 2.93Å; A327-Y387 VanDerWaalsContact CA-CE2 3.41Å; A327-Y387 HydrophobicContact CB-CD2 4.07Å; A327-Y387 HydrophobicContact CB-CE1 4.11Å; A327-Y387 HydrophobicContact CB-CE2 3.37Å; A327-Y387 WeakPolarHBondContact CB-OH 3.49Å
328	C	89.4	Confident	85.6	Confident	7 Å²	7	14 Å²	14	5%	0.047	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-3.6	178.8	-92.5	0	0	0	0	114.2	L303 C304 D324 L326 C330	L303-C328 HydrophobicContact CB-CB 4.49Å; L303-C328 HydrophobicContact CD2-CB 4.02Å; L303-C328 HydrophobicContact CG-CB 3.84Å; C304-C328 WeakPolarHBondContact CA-SG 3.47Å; C304-C328 HydrophobicContact CB-CB 3.89Å; C304-C328 WeakPolarHBondContact CB-SG 3.37Å; C304-C328 PolarHBondContact N-SG 3Å; C304-C328 WeakPolarHBondContact SG-CA 3.49Å; C304-C328 WeakPolarHBondContact SG-CB 3.47Å; C304-C328 CovalentContact SG-SG 2.05Å; C304-C328 PolarHBondContact SG-SG 3.05Å; D324-C328 WeakPolarHBondContact O-CB 3.06Å; D324-C328 PolarHBondContact O-N 3.13Å; L326-C328 VanDerWaalsContact C-N 3.29Å; L326-C328 PolarHBondContact O-N 3.16Å; C328-C330 PolarHBondContact O-N 2.99Å
329	G	87.9	Confident	86	Confident	10 Å²	10	14.4 Å²	14.4	10%	0.103	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	29.1	-175.5	0	0	0	0	0	113.5	R226 S325 L326	R226-G329 PolarHBondContact NH1-O 2.97Å; S325-G329 PolarHBondContact O-N 3.2Å; S325-G329 VanDerWaalsContact O-N 3.16Å; L326-G329 PolarHBondContact O-N 2.9Å; L326-G329 VanDerWaalsContact O-N 3.08Å
330	C	88.7	Confident	86.2	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.081	C	C	.	.			trans	-79.8	135.9	168.2	-172.1	0	0	0	0	108.3	C309 S325 C328 P332	C309-C330 VanDerWaalsContact CA-SG 3.59Å; C309-C330 HydrophobicContact CB-CB 4.04Å; C309-C330 WeakPolarHBondContact CB-SG 3.48Å; C309-C330 PolarHBondContact N-SG 2.82Å; C309-C330 WeakPolarHBondContact SG-CB 3.27Å; C309-C330 CovalentContact SG-SG 2.03Å; C309-C330 PolarHBondContact SG-SG 2.79Å; S325-C330 WeakPolarHBondContact O-CB 3.5Å; S325-C330 PolarHBondContact O-N 3.27Å; S325-C330 VanDerWaalsContact O-O 3.14Å; C328-C330 PolarHBondContact O-N 2.99Å; C330-P332 WeakPolarHBondContact O-CD 3.45Å
331	I	91.4	Very high	86.5	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	112.5	-176.8	-61.3	168.9	0	0	0	108.7	E307 F308 C309 V333 I354 K376 L379 R380 I383	E307-I331 PolarHBondContact O-N 2.98Å; E307-I331 VanDerWaalsContact O-N 3.17Å; F308-I331 CarbonylContact C-O 3.57Å; F308-I331 VanDerWaalsContact CA-O 3.32Å; F308-I331 WeakPolarHBondContact CA-O 3.41Å; F308-I331 HydrophobicContact CD1-CB 3.72Å; F308-I331 HydrophobicContact CD1-CD1 4.32Å; F308-I331 HydrophobicContact CD1-CG2 3.87Å; F308-I331 HydrophobicContact CE1-CB 4.14Å; F308-I331 HydrophobicContact CE1-CD1 3.98Å; F308-I331 HydrophobicContact CE1-CG2 4.05Å; C309-I331 PolarHBondContact N-O 3.1Å; I331-V333 PolarHBondContact O-N 2.78Å; I331-I354 HydrophobicContact CG2-CD1 3.92Å; I331-I354 HydrophobicContact CG2-CG1 4.1Å; I331-K376 HydrophobicContact CD1-CB 3.78Å; I331-K376 HydrophobicContact CD1-CG 3.96Å; I331-L379 HydrophobicContact CD1-CB 4.22Å; I331-L379 HydrophobicContact CD1-CD1 4.27Å; I331-L379 HydrophobicContact CG1-CB 4.34Å; I331-L379 HydrophobicContact CG2-CD1 4.06Å; I331-R380 HydrophobicContact CD1-CG 4.11Å; I331-R380 HydrophobicContact CG1-CG 3.83Å; I331-I383 HydrophobicContact CB-CD1 4.46Å; I331-I383 HydrophobicContact CG1-CD1 4.15Å
332	P	92.7	Very high	87	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	129.3	179.4	27.5	-31.7	0	0	0	110.3	C309 I311 L322 L326 C330 I334 I352 A353 I354	C309-P332 WeakPolarHBondContact O-CA 3.31Å; I311-P332 HydrophobicContact CD1-CB 3.9Å; L322-P332 HydrophobicContact CD1-CB 3.83Å; L322-P332 HydrophobicContact CD1-CG 4.37Å; L326-P332 HydrophobicContact CD2-CG 4.02Å; C330-P332 WeakPolarHBondContact O-CD 3.45Å; P332-I334 HydrophobicContact CB-CG1 4.25Å; P332-I352 VanDerWaalsContact CD-O 3.25Å; P332-I352 WeakPolarHBondContact CD-O 3.41Å; P332-I352 VanDerWaalsContact CG-O 3.32Å; P332-I352 WeakPolarHBondContact CG-O 2.97Å; P332-A353 HydrophobicContact CB-CB 4.44Å; P332-A353 HydrophobicContact CG-CB 3.74Å; P332-A353 WeakPolarHBondContact O-CA 3.28Å; P332-I354 PolarHBondContact O-N 3.17Å
333	V	90.2	Very high	87.2	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	105	171.1	-176	0	0	0	0	106.3	F308 C309 L310 I311 I331 I354 I356 I364 L368	F308-V333 HydrophobicContact CB-CG2 4.01Å; F308-V333 HydrophobicContact CD1-CG2 3.89Å; F308-V333 HydrophobicContact CG-CG2 4.24Å; C309-V333 PolarHBondContact O-N 2.96Å; L310-V333 HydrophobicContact CD1-CB 3.98Å; L310-V333 HydrophobicContact CD1-CG1 3.78Å; L310-V333 WeakPolarHBondContact CD1-O 3.4Å; I311-V333 PolarHBondContact N-O 3.17Å; I331-V333 PolarHBondContact O-N 2.78Å; V333-I354 CarbonylContact C-O 3.06Å; V333-I354 WeakPolarHBondContact CA-O 3.49Å; V333-I354 HydrophobicContact CG2-CB 4.39Å; V333-I356 HydrophobicContact CG1-CD1 3.67Å; V333-I356 HydrophobicContact CG1-CG1 4.31Å; V333-I364 HydrophobicContact CG1-CG2 4.49Å; V333-L368 HydrophobicContact CG1-CD2 4.2Å; V333-L368 HydrophobicContact CG2-CD1 4.18Å; V333-L368 HydrophobicContact CG2-CD2 3.63Å
334	I	87.9	Confident	87	Confident	3 Å²	3	16.2 Å²	16.2	2%	0.015	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	118.7	-170	-54.1	-179.8	0	0	0	108.7	L322 P332 N336 I339 L341 W349 A353 I354 I356	L322-I334 HydrophobicContact CD1-CD1 3.84Å; L322-I334 HydrophobicContact CD1-CG1 4.34Å; P332-I334 HydrophobicContact CB-CG1 4.25Å; I334-N336 HydrophobicContact CG2-CB 4.5Å; I334-I339 HydrophobicContact CG2-CG2 3.89Å; I334-L341 HydrophobicContact CD1-CD1 4.24Å; I334-L341 HydrophobicContact CD1-CD2 3.56Å; I334-W349 HydrophobicContact CD1-CE3 4.26Å; I334-W349 HydrophobicContact CD1-CZ3 4.22Å; I334-A353 HydrophobicContact CD1-CB 3.82Å; I334-A353 HydrophobicContact CG1-CB 4.32Å; I334-I354 PolarHBondContact N-O 2.86Å; I334-I356 PolarHBondContact O-N 2.93Å
335	V	82.7	Confident	86.6	Confident	2 Å²	2	19.1 Å²	19.1	1%	0.012	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	79.5	174.6	-171.7	0	0	0	0	108.3	L310 I311 I312 D313 I356 Q358 F361 I364	L310-V335 HydrophobicContact CD1-CG2 3.63Å; I311-V335 PolarHBondContact O-N 3.41Å; I312-V335 HydrophobicContact CG1-CB 4.3Å; I312-V335 HydrophobicContact CG1-CG2 4.48Å; I312-V335 HydrophobicContact CG2-CB 4.34Å; I312-V335 HydrophobicContact CG2-CG1 4.49Å; D313-V335 PolarHBondContact N-O 3.1Å; V335-I356 HydrophobicContact CG2-CB 4.37Å; V335-Q358 HydrophobicContact CG1-CB 4.33Å; V335-Q358 HydrophobicContact CG1-CG 4.45Å; V335-F361 HydrophobicContact CG1-CD2 4.11Å; V335-I364 HydrophobicContact CG2-CD1 3.61Å; V335-I364 HydrophobicContact CG2-CG1 4.47Å
336	N	77.1	Confident	86.3	Confident	18 Å²	18	20 Å²	20	10%	0.096	11%	0.114	C	C	.	.			trans	-159.8	122.6	173.6	-171.3	-26.9	0	0	0	108.5	A314 I334 D338 I339	A314-N336 WeakPolarHBondContact CB-ND2 3.31Å; A314-N336 PolarHBondContact N-ND2 3.38Å; I334-N336 HydrophobicContact CG2-CB 4.5Å; N336-D338 WeakPolarHBondContact OD1-CA 3.17Å; N336-D338 PolarHBondContact OD1-N 3.48Å; N336-I339 HydrophobicContact CB-CB 3.97Å; N336-I339 HydrophobicContact CB-CG2 3.78Å; N336-I339 WeakPolarHBondContact O-CG2 3.33Å; N336-I339 PolarHBondContact OD1-N 3.27Å; N336-I339 VanDerWaalsContact OD1-N 3.13Å
337	D	72.5	Confident	85.9	Confident	86 Å²	86	20 Å²	20	46%	0.46	11%	0.114	S	C	.	.	S	Bend	trans	-82.5	-20.7	-179.9	-66.8	-36.9	0	0	0	112.1	P357 Q358	D337-P357 WeakPolarHBondContact OD1-CA 3.49Å; D337-Q358 PolarHBondContact OD2-N 2.96Å
338	D	74.5	Confident	85.3	Confident	99 Å²	99	21.2 Å²	21.2	53%	0.529	12%	0.119	S	C	.	.	S	Bend	trans	-102.1	-6.2	-175.4	-74.5	-49	0	0	0	114.8	S198 N336 V340	S198-D338 PolarHBondContact N-O 3.43Å; S198-D338 VanDerWaalsContact N-O 3.16Å; S198-D338 PolarHBondContact OG-OD1 2.86Å; N336-D338 WeakPolarHBondContact OD1-CA 3.17Å; N336-D338 PolarHBondContact OD1-N 3.48Å; D338-V340 PolarHBondContact O-N 3.18Å
339	I	79.6	Confident	85	Confident	11 Å²	11	21.3 Å²	21.3	6%	0.056	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-70	124.7	178.5	-166.9	176.7	0	0	0	110.5	A314 L322 I334 N336 L341	A314-I339 HydrophobicContact CB-CB 4.05Å; A314-I339 HydrophobicContact CB-CD1 3.67Å; A314-I339 HydrophobicContact CB-CG1 3.8Å; L322-I339 HydrophobicContact CD2-CD1 4.41Å; I334-I339 HydrophobicContact CG2-CG2 3.89Å; N336-I339 HydrophobicContact CB-CB 3.97Å; N336-I339 HydrophobicContact CB-CG2 3.78Å; N336-I339 WeakPolarHBondContact O-CG2 3.33Å; N336-I339 PolarHBondContact OD1-N 3.27Å; N336-I339 VanDerWaalsContact OD1-N 3.13Å; I339-L341 HydrophobicContact CD1-CD2 3.8Å; I339-L341 HydrophobicContact CG1-CD2 4.14Å; I339-L341 HydrophobicContact CG2-CD2 4.08Å; I339-L341 HydrophobicContact CG2-CG 4.39Å
340	V	84.3	Confident	84.8	Confident	22 Å²	22	28.8 Å²	28.8	13%	0.133	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-90.8	122.4	164.3	-169.9	0	0	0	0	107.2	F201 V208 D338	F201-V340 HydrophobicContact CB-CG2 4.02Å; F201-V340 HydrophobicContact CD1-CB 4.4Å; F201-V340 HydrophobicContact CD1-CG1 3.69Å; F201-V340 HydrophobicContact CD1-CG2 3.98Å; F201-V340 HydrophobicContact CE1-CG1 3.78Å; F201-V340 HydrophobicContact CG-CG1 4.08Å; F201-V340 HydrophobicContact CG-CG2 4.17Å; F201-V340 HydrophobicContact CZ-CG1 4.27Å; V208-V340 HydrophobicContact CB-CG1 4.41Å; V208-V340 HydrophobicContact CG2-CB 3.95Å; V208-V340 HydrophobicContact CG2-CG1 3.44Å; V208-V340 VanDerWaalsContact CG2-CG1 3.44Å; D338-V340 PolarHBondContact O-N 3.18Å
341	L	90.3	Very high	84.4	Confident	5 Å²	5	30.7 Å²	30.7	3%	0.026	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-86.2	150.2	-171.9	-62.6	164.9	0	0	0	111.7	L322 I334 I339 F343 S344 W349	L322-L341 HydrophobicContact CD2-CD2 3.88Å; I334-L341 HydrophobicContact CD1-CD1 4.24Å; I334-L341 HydrophobicContact CD1-CD2 3.56Å; I339-L341 HydrophobicContact CD1-CD2 3.8Å; I339-L341 HydrophobicContact CG1-CD2 4.14Å; I339-L341 HydrophobicContact CG2-CD2 4.08Å; I339-L341 HydrophobicContact CG2-CG 4.39Å; L341-F343 PolarHBondContact O-N 3.45Å; L341-S344 WeakPolarHBondContact O-CB 3.31Å; L341-S344 PolarHBondContact O-N 2.92Å; L341-S344 PolarHBondContact O-OG 2.95Å; L341-W349 HydrophobicContact CB-CD2 3.65Å; L341-W349 VanDerWaalsContact CB-CE2 3.41Å; L341-W349 HydrophobicContact CB-CE3 4.3Å; L341-W349 HydrophobicContact CB-CG 3.88Å; L341-W349 HydrophobicContact CB-CH2 4.45Å; L341-W349 HydrophobicContact CB-CZ2 3.86Å; L341-W349 HydrophobicContact CD1-CB 3.7Å; L341-W349 HydrophobicContact CD1-CD2 3.55Å; L341-W349 HydrophobicContact CD1-CE3 3.8Å; L341-W349 HydrophobicContact CD1-CG 3.48Å; L341-W349 VanDerWaalsContact CD1-CG 3.48Å; L341-W349 HydrophobicContact CD2-CD2 4.37Å; L341-W349 HydrophobicContact CD2-CE3 4.19Å; L341-W349 HydrophobicContact CD2-CH2 4.43Å; L341-W349 HydrophobicContact CD2-CZ3 4.23Å; L341-W349 HydrophobicContact CG-CD2 4.04Å; L341-W349 HydrophobicContact CG-CE3 4.32Å; L341-W349 HydrophobicContact CG-CG 4.27Å
342	P	93.5	Very high	84.3	Confident	12 Å²	12	30.8 Å²	30.8	8%	0.078	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	129.1	178.6	-28.3	32.6	0	0	0	113.2	V208 P210 S344 W349 F391	V208-P342 WeakPolarHBondContact O-CA 3.18Å; P210-P342 HydrophobicContact CB-CB 4.14Å; P210-P342 HydrophobicContact CB-CG 4.26Å; P342-S344 PolarHBondContact O-N 3.04Å; P342-W349 HydrophobicContact CB-CZ2 3.94Å; P342-W349 VanDerWaalsContact CD-CZ2 3.44Å; P342-W349 HydrophobicContact CG-CH2 4.34Å; P342-W349 HydrophobicContact CG-CZ2 3.98Å; P342-W349 WeakPolarHBondContact O-CZ2 3.28Å; P342-W349 PolarHBondContact O-NE1 2.78Å; P342-F391 HydrophobicContact CB-CE1 4.21Å; P342-F391 HydrophobicContact CB-CZ 3.87Å
343	F	94	Very high	84.2	Confident	3 Å²	3	31 Å²	31	1%	0.013	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	31.1	-177.3	-53.3	-36.4	0	0	0	114.3	I207 V208 L209 L341 E345 I346 L347 F391 I397 T400 I404	I207-F343 HydrophobicContact CG2-CD1 3.8Å; I207-F343 HydrophobicContact CG2-CE1 3.73Å; V208-F343 VanDerWaalsContact O-CD1 3.31Å; V208-F343 WeakPolarHBondContact O-CD1 3.48Å; V208-F343 PolarHBondContact O-N 2.94Å; L209-F343 HydrophobicContact CD2-CE1 3.61Å; L209-F343 HydrophobicContact CD2-CZ 4Å; L341-F343 PolarHBondContact O-N 3.45Å; F343-E345 PolarHBondContact O-N 3.22Å; F343-I346 HydrophobicContact CB-CD1 4.12Å; F343-I346 HydrophobicContact CB-CG1 3.87Å; F343-I346 WeakPolarHBondContact O-CG1 3.48Å; F343-I346 PolarHBondContact O-N 2.89Å; F343-L347 HydrophobicContact CB-CD1 3.92Å; F343-L347 HydrophobicContact CB-CG 3.91Å; F343-L347 HydrophobicContact CD2-CD1 4.28Å; F343-L347 PolarHBondContact O-N 3.16Å; F343-F391 HydrophobicContact CD2-CD1 4.26Å; F343-F391 AromaticContact CD2-CE1 3.4Å; F343-F391 HydrophobicContact CD2-CE1 3.4Å; F343-F391 VanDerWaalsContact CD2-CE1 3.4Å; F343-F391 HydrophobicContact CD2-CZ 4.22Å; F343-F391 HydrophobicContact CE2-CD1 4.05Å; F343-F391 AromaticContact CE2-CE1 3.59Å; F343-F391 HydrophobicContact CE2-CE1 3.59Å; F343-F391 HydrophobicContact CG-CE1 4.4Å; F343-I397 HydrophobicContact CZ-CG2 4.15Å; F343-T400 HydrophobicContact CD2-CG2 3.55Å; F343-T400 HydrophobicContact CE1-CG2 4.44Å; F343-T400 HydrophobicContact CE2-CG2 3.41Å; F343-T400 VanDerWaalsContact CE2-CG2 3.41Å; F343-T400 HydrophobicContact CG-CG2 4.21Å; F343-T400 HydrophobicContact CZ-CG2 3.9Å; F343-I404 HydrophobicContact CB-CD1 4.14Å; F343-I404 HydrophobicContact CD1-CD1 3.37Å; F343-I404 HydrophobicContact CE1-CD1 3.89Å; F343-I404 HydrophobicContact CG-CD1 3.85Å
344	S	87.1	Confident	84.2	Confident	48 Å²	48	31.1 Å²	31.1	34%	0.336	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-13.8	-177.5	45.7	0	0	0	0	115.2	L341 P342	L341-S344 WeakPolarHBondContact O-CB 3.31Å; L341-S344 PolarHBondContact O-N 2.92Å; L341-S344 PolarHBondContact O-OG 2.95Å; P342-S344 PolarHBondContact O-N 3.04Å
345	E	81.4	Confident	84.1	Confident	61 Å²	61	35.6 Å²	35.6	29%	0.285	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-33.6	172.8	-179.2	177.5	167.1	0	0	113.4	K204 F343 R408	K204-E345 HydrophobicContact CD-CG 3.91Å; K204-E345 WeakPolarHBondContact CD-OE1 3.35Å; K204-E345 WeakPolarHBondContact CD-OE2 3.44Å; K204-E345 WeakPolarHBondContact CE-OE1 3.27Å; K204-E345 IonicContact NZ-OE1 2.89Å; K204-E345 PolarHBondContact NZ-OE1 3.47Å; F343-E345 PolarHBondContact O-N 3.22Å; E345-R408 IonicContact OE1-NE 3.01Å; E345-R408 IonicContact OE2-CZ 3.81Å; E345-R408 IonicContact OE2-NE 2.81Å; E345-R408 PolarHBondContact OE2-NE 3.33Å; E345-R408 IonicContact OE2-NH2 3.3Å; E345-R408 PolarHBondContact OE2-NH2 3.18Å
346	I	82.1	Confident	84.1	Confident	20 Å²	20	35.8 Å²	35.8	10%	0.103	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-27.4	-175.1	54.7	144.2	0	0	0	112.6	F343 T400 I404 W420 N421	F343-I346 HydrophobicContact CB-CD1 4.12Å; F343-I346 HydrophobicContact CB-CG1 3.87Å; F343-I346 WeakPolarHBondContact O-CG1 3.48Å; F343-I346 PolarHBondContact O-N 2.89Å; I346-T400 HydrophobicContact CD1-CG2 4.11Å; I346-I404 HydrophobicContact CD1-CD1 3.84Å; I346-I404 HydrophobicContact CD1-CG1 3.85Å; I346-I404 HydrophobicContact CG1-CD1 3.96Å; I346-I404 HydrophobicContact CG1-CG1 4.07Å; I346-I404 HydrophobicContact CG2-CG1 4.22Å; I346-W420 HydrophobicContact CB-CD2 4.03Å; I346-W420 HydrophobicContact CB-CG 3.98Å; I346-W420 HydrophobicContact CD1-CD2 3.53Å; I346-W420 HydrophobicContact CD1-CE3 3.32Å; I346-W420 HydrophobicContact CD1-CG 4.27Å; I346-W420 HydrophobicContact CD1-CH2 3.74Å; I346-W420 HydrophobicContact CD1-CZ2 3.92Å; I346-W420 HydrophobicContact CD1-CZ3 3.44Å; I346-W420 VanDerWaalsContact CD1-CZ3 3.44Å; I346-W420 HydrophobicContact CG1-CD2 4.39Å; I346-W420 HydrophobicContact CG2-CD2 4.45Å; I346-W420 HydrophobicContact CG2-CZ2 4.47Å; I346-N421 PolarHBondContact O-ND2 2.61Å
347	L	85.2	Confident	84.4	Confident	5 Å²	5	37.3 Å²	37.3	3%	0.026	18%	0.184	C	C	.	.	S	Bend	trans	-96.2	126.8	-178.5	-61.2	-170.7	0	0	0	110.9	F343 W349 I386 Y390 F391	F343-L347 HydrophobicContact CB-CD1 3.92Å; F343-L347 HydrophobicContact CB-CG 3.91Å; F343-L347 HydrophobicContact CD2-CD1 4.28Å; F343-L347 PolarHBondContact O-N 3.16Å; L347-W349 VanDerWaalsContact O-CD1 3.32Å; L347-W349 PolarHBondContact O-N 3.23Å; L347-W349 VanDerWaalsContact O-N 3.15Å; L347-I386 HydrophobicContact CD1-CG2 3.9Å; L347-I386 HydrophobicContact CD2-CD1 3.94Å; L347-Y390 HydrophobicContact CD1-CD2 4.27Å; L347-Y390 HydrophobicContact CD2-CD2 3.83Å; L347-Y390 HydrophobicContact CD2-CE2 3.7Å; L347-F391 HydrophobicContact CD1-CE1 4.21Å; L347-F391 HydrophobicContact CD1-CE2 4.42Å; L347-F391 HydrophobicContact CD1-CZ 3.68Å
348	D	78.5	Confident	84.8	Confident	33 Å²	33	38.1 Å²	38.1	18%	0.176	19%	0.185	C	C	.	.			trans	-80.5	96.9	174.2	-173.6	-7.9	0	0	0	110.9	Y350 K351 Y417 N421	D348-Y350 PolarHBondContact O-N 3.37Å; D348-Y350 VanDerWaalsContact OD1-CB 3.31Å; D348-Y350 WeakPolarHBondContact OD1-CB 3.42Å; D348-Y350 WeakPolarHBondContact OD1-CD2 3.46Å; D348-Y350 PolarHBondContact OD1-N 2.91Å; D348-K351 HydrophobicContact CB-CD 4.11Å; D348-K351 HydrophobicContact CB-CG 4.24Å; D348-K351 PolarHBondContact O-N 3.25Å; D348-K351 VanDerWaalsContact O-N 3.09Å; D348-K351 WeakPolarHBondContact OD2-CE 3.16Å; D348-Y417 HydrophobicContact CB-CE2 3.92Å; D348-Y417 WeakPolarHBondContact CB-OH 3.32Å; D348-Y417 PolarHBondContact OD2-OH 3.05Å; D348-N421 PolarHBondContact N-OD1 3.17Å
349	W	84.4	Confident	85	Confident	9 Å²	9	39.9 Å²	39.9	3%	0.034	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-65.4	-19.3	179.4	-80.8	85.1	0	0	0	114	L322 L326 I334 L341 P342 L347 K351 I352 A353 F391	L322-W349 HydrophobicContact CD1-CH2 4.34Å; L322-W349 HydrophobicContact CD1-CZ3 4.01Å; L322-W349 HydrophobicContact CD2-CH2 3.92Å; L322-W349 HydrophobicContact CD2-CZ3 4.21Å; L322-W349 HydrophobicContact CG-CH2 4.28Å; L322-W349 HydrophobicContact CG-CZ3 4.44Å; L326-W349 HydrophobicContact CD1-CH2 3.82Å; L326-W349 HydrophobicContact CD1-CZ3 4.28Å; I334-W349 HydrophobicContact CD1-CE3 4.26Å; I334-W349 HydrophobicContact CD1-CZ3 4.22Å; L341-W349 HydrophobicContact CB-CD2 3.65Å; L341-W349 VanDerWaalsContact CB-CE2 3.41Å; L341-W349 HydrophobicContact CB-CE3 4.3Å; L341-W349 HydrophobicContact CB-CG 3.88Å; L341-W349 HydrophobicContact CB-CH2 4.45Å; L341-W349 HydrophobicContact CB-CZ2 3.86Å; L341-W349 HydrophobicContact CD1-CB 3.7Å; L341-W349 HydrophobicContact CD1-CD2 3.55Å; L341-W349 HydrophobicContact CD1-CE3 3.8Å; L341-W349 HydrophobicContact CD1-CG 3.48Å; L341-W349 VanDerWaalsContact CD1-CG 3.48Å; L341-W349 HydrophobicContact CD2-CD2 4.37Å; L341-W349 HydrophobicContact CD2-CE3 4.19Å; L341-W349 HydrophobicContact CD2-CH2 4.43Å; L341-W349 HydrophobicContact CD2-CZ3 4.23Å; L341-W349 HydrophobicContact CG-CD2 4.04Å; L341-W349 HydrophobicContact CG-CE3 4.32Å; L341-W349 HydrophobicContact CG-CG 4.27Å; P342-W349 HydrophobicContact CB-CZ2 3.94Å; P342-W349 VanDerWaalsContact CD-CZ2 3.44Å; P342-W349 HydrophobicContact CG-CH2 4.34Å; P342-W349 HydrophobicContact CG-CZ2 3.98Å; P342-W349 WeakPolarHBondContact O-CZ2 3.28Å; P342-W349 PolarHBondContact O-NE1 2.78Å; L347-W349 VanDerWaalsContact O-CD1 3.32Å; L347-W349 PolarHBondContact O-N 3.23Å; L347-W349 VanDerWaalsContact O-N 3.15Å; W349-K351 PolarHBondContact O-N 3.47Å; W349-I352 HydrophobicContact CD2-CD1 3.83Å; W349-I352 HydrophobicContact CD2-CG1 4.14Å; W349-I352 HydrophobicContact CE3-CD1 3.74Å; W349-I352 HydrophobicContact CE3-CG1 3.85Å; W349-I352 HydrophobicContact CG-CD1 4.44Å; W349-I352 HydrophobicContact CH2-CD1 4.26Å; W349-I352 HydrophobicContact CZ2-CD1 4.28Å; W349-I352 HydrophobicContact CZ3-CD1 3.97Å; W349-I352 HydrophobicContact CZ3-CG1 4.37Å; W349-I352 PolarHBondContact O-N 3.46Å; W349-A353 HydrophobicContact CE3-CB 3.84Å; W349-A353 HydrophobicContact CZ3-CB 4.39Å; W349-A353 PolarHBondContact O-N 2.95Å; W349-F391 HydrophobicContact CZ2-CE2 4.45Å; W349-F391 HydrophobicContact CZ2-CZ 4.38Å
350	Y	82	Confident	85.1	Confident	168 Å²	168	42.7 Å²	42.7	66%	0.659	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-68.7	-17.5	174	-63.5	-81.2	0	0	0	112.6	D348	D348-Y350 PolarHBondContact O-N 3.37Å; D348-Y350 VanDerWaalsContact OD1-CB 3.31Å; D348-Y350 WeakPolarHBondContact OD1-CB 3.42Å; D348-Y350 WeakPolarHBondContact OD1-CD2 3.46Å; D348-Y350 PolarHBondContact OD1-N 2.91Å
351	K	82	Confident	84.8	Confident	40 Å²	40	42.5 Å²	42.5	17%	0.174	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-89.3	-11.9	176.4	-61.2	179.8	173.4	168.8	0	113.9	D348 W349 L379 Q382 Y417 Y422	D348-K351 HydrophobicContact CB-CD 4.11Å; D348-K351 HydrophobicContact CB-CG 4.24Å; D348-K351 PolarHBondContact O-N 3.25Å; D348-K351 VanDerWaalsContact O-N 3.09Å; D348-K351 WeakPolarHBondContact OD2-CE 3.16Å; W349-K351 PolarHBondContact O-N 3.47Å; K351-L379 VanDerWaalsContact O-CD2 3.3Å; K351-L379 WeakPolarHBondContact O-CD2 3.37Å; K351-Q382 HydrophobicContact CB-CG 3.89Å; K351-Q382 WeakPolarHBondContact O-CB 3.22Å; K351-Q382 WeakPolarHBondContact O-CG 3.34Å; K351-Y417 WeakPolarHBondContact CE-OH 3.25Å; K351-Y417 PolarHBondContact NZ-OH 3.49Å; K351-Y422 VanDerWaalsContact NZ-CE1 3.3Å; K351-Y422 PolarHBondContact NZ-OH 3.34Å
352	I	88.3	Confident	84.1	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128	-11.2	-176.2	57.5	173.4	0	0	0	114.4	P332 W349 Q382 I383 I386	P332-I352 VanDerWaalsContact CD-O 3.25Å; P332-I352 WeakPolarHBondContact CD-O 3.41Å; P332-I352 VanDerWaalsContact CG-O 3.32Å; P332-I352 WeakPolarHBondContact CG-O 2.97Å; W349-I352 HydrophobicContact CD2-CD1 3.83Å; W349-I352 HydrophobicContact CD2-CG1 4.14Å; W349-I352 HydrophobicContact CE3-CD1 3.74Å; W349-I352 HydrophobicContact CE3-CG1 3.85Å; W349-I352 HydrophobicContact CG-CD1 4.44Å; W349-I352 HydrophobicContact CH2-CD1 4.26Å; W349-I352 HydrophobicContact CZ2-CD1 4.28Å; W349-I352 HydrophobicContact CZ3-CD1 3.97Å; W349-I352 HydrophobicContact CZ3-CG1 4.37Å; W349-I352 PolarHBondContact O-N 3.46Å; I352-Q382 HydrophobicContact CG2-CB 3.98Å; I352-Q382 HydrophobicContact CG2-CG 3.4Å; I352-I383 HydrophobicContact CB-CG1 3.81Å; I352-I383 HydrophobicContact CG2-CG1 4.07Å; I352-I383 WeakPolarHBondContact O-CD1 3.34Å; I352-I383 WeakPolarHBondContact O-CG1 3.39Å; I352-I386 HydrophobicContact CD1-CG2 4.05Å; I352-I386 HydrophobicContact CG2-CB 4.33Å; I352-I386 HydrophobicContact CG2-CG1 3.8Å
353	A	91	Very high	83.5	Confident	4 Å²	4	55.3 Å²	55.3	3%	0.033	27%	0.265	C	S	.	.			trans	-140.8	150.8	-178.6	0	0	0	0	0	112.3	P332 I334 W349	P332-A353 HydrophobicContact CB-CB 4.44Å; P332-A353 HydrophobicContact CG-CB 3.74Å; P332-A353 WeakPolarHBondContact O-CA 3.28Å; I334-A353 HydrophobicContact CD1-CB 3.82Å; I334-A353 HydrophobicContact CG1-CB 4.32Å; W349-A353 HydrophobicContact CE3-CB 3.84Å; W349-A353 HydrophobicContact CZ3-CB 4.39Å; W349-A353 PolarHBondContact O-N 2.95Å
354	I	89.2	Confident	82.8	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	110.4	170.6	-59.6	173.7	0	0	0	107.3	F308 I331 P332 V333 I334 I356 L368 Y371 L379	F308-I354 HydrophobicContact CD1-CD1 4.25Å; F308-I354 HydrophobicContact CE1-CD1 3.71Å; I331-I354 HydrophobicContact CG2-CD1 3.92Å; I331-I354 HydrophobicContact CG2-CG1 4.1Å; P332-I354 PolarHBondContact O-N 3.17Å; V333-I354 CarbonylContact C-O 3.06Å; V333-I354 WeakPolarHBondContact CA-O 3.49Å; V333-I354 HydrophobicContact CG2-CB 4.39Å; I334-I354 PolarHBondContact N-O 2.86Å; I354-I356 HydrophobicContact CG2-CD1 4.12Å; I354-I356 HydrophobicContact CG2-CG1 4Å; I354-L368 HydrophobicContact CD1-CD2 3.7Å; I354-L368 HydrophobicContact CG2-CD2 4.27Å; I354-Y371 HydrophobicContact CD1-CD1 4.27Å; I354-Y371 HydrophobicContact CD1-CD2 4.08Å; I354-Y371 HydrophobicContact CD1-CE1 3.98Å; I354-Y371 HydrophobicContact CD1-CE2 3.79Å; I354-Y371 HydrophobicContact CD1-CG 4.32Å; I354-Y371 HydrophobicContact CG1-CE1 4.19Å; I354-Y371 HydrophobicContact CG1-CE2 4.36Å; I354-Y371 HydrophobicContact CG2-CE2 4.25Å; I354-L379 HydrophobicContact CD1-CD1 4.37Å; I354-L379 HydrophobicContact CG1-CD1 4.31Å
355	R	86.9	Confident	82.3	Confident	97 Å²	97	53.5 Å²	53.5	37%	0.366	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	125.2	177.5	-61.7	-174.1	69.3	-168.4	2.4	110
356	I	82.8	Confident	82.1	Confident	5 Å²	5	52.9 Å²	52.9	3%	0.026	26%	0.255	C	S	.	.			trans	-124	118.9	179.2	-59.2	177.9	0	0	0	107.9	V333 I334 V335 I354 K360 I364 I367	V333-I356 HydrophobicContact CG1-CD1 3.67Å; V333-I356 HydrophobicContact CG1-CG1 4.31Å; I334-I356 PolarHBondContact O-N 2.93Å; V335-I356 HydrophobicContact CG2-CB 4.37Å; I354-I356 HydrophobicContact CG2-CD1 4.12Å; I354-I356 HydrophobicContact CG2-CG1 4Å; I356-K360 HydrophobicContact CG2-CB 3.94Å; I356-I364 HydrophobicContact CB-CG1 4.47Å; I356-I364 HydrophobicContact CD1-CB 4.26Å; I356-I364 HydrophobicContact CD1-CG1 3.75Å; I356-I364 HydrophobicContact CD1-CG2 4.23Å; I356-I364 HydrophobicContact CG2-CG1 3.96Å; I356-I367 HydrophobicContact CD1-CB 4.33Å; I356-I367 HydrophobicContact CD1-CD1 4.21Å; I356-I367 HydrophobicContact CD1-CG2 3.97Å; I356-I367 HydrophobicContact CG1-CD1 4.47Å; I356-I367 HydrophobicContact CG1-CG2 4.46Å; I356-I367 HydrophobicContact CG2-CD1 4.06Å
357	P	83.7	Confident	82.1	Confident	50 Å²	50	54.1 Å²	54.1	33%	0.325	26%	0.261	S	S	.	.			trans	-56.5	144.4	175.9	-25.2	33.9	0	0	0	111.4	D337 V359 K360	D337-P357 WeakPolarHBondContact OD1-CA 3.49Å; P357-V359 HydrophobicContact CB-CG2 4.01Å; P357-V359 PolarHBondContact O-N 3.32Å; P357-V359 VanDerWaalsContact O-N 3.14Å; P357-K360 WeakPolarHBondContact O-CA 3.3Å; P357-K360 PolarHBondContact O-N 3.48Å
358	Q	79.2	Confident	82	Confident	104 Å²	104	54.4 Å²	54.4	49%	0.486	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-59.2	-33.4	-175.4	-170.7	175.1	-5.1	0	0	112.1	V335 D337 K360 F361	V335-Q358 HydrophobicContact CG1-CB 4.33Å; V335-Q358 HydrophobicContact CG1-CG 4.45Å; D337-Q358 PolarHBondContact OD2-N 2.96Å; Q358-K360 PolarHBondContact O-N 2.91Å; Q358-K360 VanDerWaalsContact O-N 3.16Å; Q358-F361 WeakPolarHBondContact O-CB 3.14Å; Q358-F361 PolarHBondContact O-N 3.28Å
359	V	79.6	Confident	82.1	Confident	135 Å²	135	55.1 Å²	55.1	82%	0.818	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-62.3	-21.2	175.2	-61.3	0	0	0	0	114.2	P357	P357-V359 HydrophobicContact CB-CG2 4.01Å; P357-V359 PolarHBondContact O-N 3.32Å; P357-V359 VanDerWaalsContact O-N 3.14Å
360	K	81.6	Confident	82.1	Confident	71 Å²	71	59.7 Å²	59.7	31%	0.309	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-97.9	13.3	176.5	-67.8	-177	-178.4	177.1	0	112.2	I356 P357 Q358 Q362 K363	I356-K360 HydrophobicContact CG2-CB 3.94Å; P357-K360 WeakPolarHBondContact O-CA 3.3Å; P357-K360 PolarHBondContact O-N 3.48Å; Q358-K360 PolarHBondContact O-N 2.91Å; Q358-K360 VanDerWaalsContact O-N 3.16Å; K360-Q362 PolarHBondContact O-N 3.34Å; K360-Q362 VanDerWaalsContact O-N 3.12Å; K360-K363 WeakPolarHBondContact O-CA 3.16Å; K360-K363 WeakPolarHBondContact O-CB 3.28Å; K360-K363 PolarHBondContact O-N 3.48Å
361	F	77.2	Confident	82.2	Confident	17 Å²	17	54.9 Å²	54.9	8%	0.075	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-47.4	-44.6	-178.4	-177.9	-106.1	0	0	0	112.8	V245 L248 I312 V335 Q358 K363 I364	V245-F361 HydrophobicContact CB-CZ 4.11Å; V245-F361 HydrophobicContact CG1-CZ 4.47Å; V245-F361 HydrophobicContact CG2-CE1 4.24Å; V245-F361 HydrophobicContact CG2-CE2 4.13Å; V245-F361 HydrophobicContact CG2-CZ 3.49Å; V245-F361 VanDerWaalsContact CG2-CZ 3.49Å; L248-F361 HydrophobicContact CB-CE1 3.95Å; L248-F361 HydrophobicContact CD2-CD1 3.9Å; L248-F361 HydrophobicContact CD2-CE1 3.52Å; L248-F361 HydrophobicContact CD2-CE2 4.46Å; L248-F361 HydrophobicContact CD2-CG 4.49Å; L248-F361 HydrophobicContact CD2-CZ 3.8Å; L248-F361 VanDerWaalsContact CD2-O 3.29Å; L248-F361 WeakPolarHBondContact CD2-O 3.43Å; L248-F361 HydrophobicContact CG-CE1 4.25Å; I312-F361 HydrophobicContact CD1-CE2 3.62Å; I312-F361 HydrophobicContact CD1-CZ 4.13Å; I312-F361 HydrophobicContact CG1-CE2 4.34Å; V335-F361 HydrophobicContact CG1-CD2 4.11Å; Q358-F361 WeakPolarHBondContact O-CB 3.14Å; Q358-F361 PolarHBondContact O-N 3.28Å; F361-K363 PolarHBondContact O-N 2.74Å; F361-I364 HydrophobicContact CD2-CD1 3.42Å; F361-I364 VanDerWaalsContact CD2-CD1 3.42Å; F361-I364 HydrophobicContact CE2-CD1 3.66Å; F361-I364 HydrophobicContact CG-CD1 4.2Å; F361-I364 WeakPolarHBondContact O-CB 3.34Å; F361-I364 VanDerWaalsContact O-CD1 3.24Å; F361-I364 WeakPolarHBondContact O-CD1 3.08Å; F361-I364 WeakPolarHBondContact O-CG1 3.41Å; F361-I364 PolarHBondContact O-N 3.12Å
362	Q	76.4	Confident	82.4	Confident	159 Å²	159	55.4 Å²	55.4	74%	0.743	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-68.3	-20.3	-178.4	-59.2	-179.3	-10.8	0	0	114.6	L248 K360	L248-Q362 VanDerWaalsContact CD1-CA 3.43Å; L248-Q362 HydrophobicContact CD1-CB 3.79Å; L248-Q362 HydrophobicContact CD1-CG 3.93Å; K360-Q362 PolarHBondContact O-N 3.34Å; K360-Q362 VanDerWaalsContact O-N 3.12Å
363	K	80.2	Confident	82.3	Confident	127 Å²	127	60.4 Å²	60.4	55%	0.552	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-90.9	0	-179.9	-61.2	-176.2	179.6	-178.8	0	112.6	K360 F361 P365 S366 I367	K360-K363 WeakPolarHBondContact O-CA 3.16Å; K360-K363 WeakPolarHBondContact O-CB 3.28Å; K360-K363 PolarHBondContact O-N 3.48Å; F361-K363 PolarHBondContact O-N 2.74Å; K363-P365 VanDerWaalsContact C-N 3.34Å; K363-S366 PolarHBondContact O-N 3.01Å; K363-S366 VanDerWaalsContact O-N 3.17Å; K363-S366 PolarHBondContact O-OG 2.93Å; K363-I367 HydrophobicContact CB-CD1 3.94Å; K363-I367 HydrophobicContact CB-CG1 4.31Å; K363-I367 VanDerWaalsContact O-CG1 3.26Å; K363-I367 WeakPolarHBondContact O-CG1 3.43Å; K363-I367 PolarHBondContact O-N 2.95Å
364	I	79.9	Confident	82	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-50.1	-49.5	-179.6	-69.9	165.8	0	0	0	111.8	F230 L310 V333 V335 I356 F361 S366 I367 L368	F230-I364 HydrophobicContact CZ-CG2 4.12Å; L310-I364 HydrophobicContact CD1-CD1 4.16Å; L310-I364 HydrophobicContact CD2-CD1 4.5Å; V333-I364 HydrophobicContact CG1-CG2 4.49Å; V335-I364 HydrophobicContact CG2-CD1 3.61Å; V335-I364 HydrophobicContact CG2-CG1 4.47Å; I356-I364 HydrophobicContact CB-CG1 4.47Å; I356-I364 HydrophobicContact CD1-CB 4.26Å; I356-I364 HydrophobicContact CD1-CG1 3.75Å; I356-I364 HydrophobicContact CD1-CG2 4.23Å; I356-I364 HydrophobicContact CG2-CG1 3.96Å; F361-I364 HydrophobicContact CD2-CD1 3.42Å; F361-I364 VanDerWaalsContact CD2-CD1 3.42Å; F361-I364 HydrophobicContact CE2-CD1 3.66Å; F361-I364 HydrophobicContact CG-CD1 4.2Å; F361-I364 WeakPolarHBondContact O-CB 3.34Å; F361-I364 VanDerWaalsContact O-CD1 3.24Å; F361-I364 WeakPolarHBondContact O-CD1 3.08Å; F361-I364 WeakPolarHBondContact O-CG1 3.41Å; F361-I364 PolarHBondContact O-N 3.12Å; I364-S366 PolarHBondContact O-N 3.22Å; I364-I367 PolarHBondContact O-N 3.14Å; I364-L368 HydrophobicContact CG2-CD1 3.57Å; I364-L368 HydrophobicContact CG2-CG 4.11Å; I364-L368 WeakPolarHBondContact O-CB 3.05Å; I364-L368 VanDerWaalsContact O-CG 3.23Å; I364-L368 WeakPolarHBondContact O-CG 3.03Å; I364-L368 PolarHBondContact O-N 3.33Å
365	P	76.3	Confident	81.8	Confident	13 Å²	13	71.8 Å²	71.8	8%	0.084	37%	0.374	C	S	.	.	H	α-helix	trans	-60.6	-42	-179	-27.7	38.3	0	0	0	114.5	L249 L259 K363 L368 S369	L249-P365 HydrophobicContact CD2-CG 4.41Å; L259-P365 HydrophobicContact CD1-CB 3.55Å; L259-P365 HydrophobicContact CD1-CG 3.68Å; L259-P365 HydrophobicContact CD2-CB 3.77Å; L259-P365 HydrophobicContact CD2-CG 4.06Å; L259-P365 HydrophobicContact CG-CB 3.65Å; L259-P365 HydrophobicContact CG-CG 4.2Å; K363-P365 VanDerWaalsContact C-N 3.34Å; P365-L368 PolarHBondContact O-N 2.78Å; P365-S369 WeakPolarHBondContact O-CB 3.46Å; P365-S369 PolarHBondContact O-N 2.8Å; P365-S369 PolarHBondContact O-OG 3.17Å
366	S	77.6	Confident	81.8	Confident	48 Å²	48	67.8 Å²	67.8	34%	0.336	36%	0.359	S	S	.	.	H	α-helix	trans	-69.6	-41.3	179	54.5	0	0	0	0	110.9	K363 I364 L368 S369 T370	K363-S366 PolarHBondContact O-N 3.01Å; K363-S366 VanDerWaalsContact O-N 3.17Å; K363-S366 PolarHBondContact O-OG 2.93Å; I364-S366 PolarHBondContact O-N 3.22Å; S366-L368 PolarHBondContact O-N 3.1Å; S366-S369 WeakPolarHBondContact CA-OG 3.16Å; S366-S369 PolarHBondContact O-N 3.41Å; S366-S369 PolarHBondContact O-OG 3.46Å; S366-T370 PolarHBondContact O-N 3.22Å
367	I	82.6	Confident	82	Confident	45 Å²	45	70.1 Å²	70.1	23%	0.231	38%	0.376	C	S	.	.	H	α-helix	trans	-59.7	-45.3	174.4	-66.4	165	0	0	0	110.8	I356 K363 I364 S369 T370 Y371	I356-I367 HydrophobicContact CD1-CB 4.33Å; I356-I367 HydrophobicContact CD1-CD1 4.21Å; I356-I367 HydrophobicContact CD1-CG2 3.97Å; I356-I367 HydrophobicContact CG1-CD1 4.47Å; I356-I367 HydrophobicContact CG1-CG2 4.46Å; I356-I367 HydrophobicContact CG2-CD1 4.06Å; K363-I367 HydrophobicContact CB-CD1 3.94Å; K363-I367 HydrophobicContact CB-CG1 4.31Å; K363-I367 VanDerWaalsContact O-CG1 3.26Å; K363-I367 WeakPolarHBondContact O-CG1 3.43Å; K363-I367 PolarHBondContact O-N 2.95Å; I364-I367 PolarHBondContact O-N 3.14Å; I367-S369 VanDerWaalsContact C-N 3.29Å; I367-S369 PolarHBondContact O-N 2.86Å; I367-T370 PolarHBondContact O-N 3.34Å; I367-T370 PolarHBondContact O-OG1 3.15Å; I367-Y371 HydrophobicContact CG2-CE2 4.23Å; I367-Y371 VanDerWaalsContact O-CD2 3.28Å; I367-Y371 WeakPolarHBondContact O-CD2 3.44Å
368	L	83.7	Confident	82	Confident	12 Å²	12	72.6 Å²	72.6	6%	0.063	39%	0.386	C	S	.	.	H	α-helix	trans	-71.3	-26.5	-178.6	-64.4	176.7	0	0	0	113.1	F230 F308 V333 I354 I364 P365 S366 T370	F230-L368 HydrophobicContact CD2-CD1 4.18Å; F230-L368 HydrophobicContact CE2-CD1 3.18Å; F230-L368 HydrophobicContact CZ-CD1 3.61Å; F308-L368 HydrophobicContact CD1-CD2 4.16Å; F308-L368 HydrophobicContact CD2-CD1 4.37Å; F308-L368 HydrophobicContact CE1-CD2 4.03Å; F308-L368 HydrophobicContact CE2-CB 4.18Å; F308-L368 HydrophobicContact CG-CD1 4.48Å; F308-L368 HydrophobicContact CZ-CB 4.36Å; F308-L368 HydrophobicContact CZ-CD2 4.24Å; V333-L368 HydrophobicContact CG1-CD2 4.2Å; V333-L368 HydrophobicContact CG2-CD1 4.18Å; V333-L368 HydrophobicContact CG2-CD2 3.63Å; I354-L368 HydrophobicContact CD1-CD2 3.7Å; I354-L368 HydrophobicContact CG2-CD2 4.27Å; I364-L368 HydrophobicContact CG2-CD1 3.57Å; I364-L368 HydrophobicContact CG2-CG 4.11Å; I364-L368 WeakPolarHBondContact O-CB 3.05Å; I364-L368 VanDerWaalsContact O-CG 3.23Å; I364-L368 WeakPolarHBondContact O-CG 3.03Å; I364-L368 PolarHBondContact O-N 3.33Å; P365-L368 PolarHBondContact O-N 2.78Å; S366-L368 PolarHBondContact O-N 3.1Å; L368-T370 VanDerWaalsContact C-N 3.29Å; L368-T370 PolarHBondContact O-N 3.18Å
369	S	79.7	Confident	82.4	Confident	47 Å²	47	68.6 Å²	68.6	33%	0.329	37%	0.368	S	S	.	.	H	α-helix	trans	-69.7	-23	174.4	69.2	0	0	0	0	114	N258 P365 S366 I367 Y371	N258-S369 VanDerWaalsContact ND2-CB 3.32Å; N258-S369 WeakPolarHBondContact ND2-CB 3.32Å; N258-S369 PolarHBondContact ND2-OG 2.98Å; N258-S369 VanDerWaalsContact ND2-OG 3.12Å; P365-S369 WeakPolarHBondContact O-CB 3.46Å; P365-S369 PolarHBondContact O-N 2.8Å; P365-S369 PolarHBondContact O-OG 3.17Å; S366-S369 WeakPolarHBondContact CA-OG 3.16Å; S366-S369 PolarHBondContact O-N 3.41Å; S366-S369 PolarHBondContact O-OG 3.46Å; I367-S369 VanDerWaalsContact C-N 3.29Å; I367-S369 PolarHBondContact O-N 2.86Å; S369-Y371 VanDerWaalsContact C-N 3.3Å; S369-Y371 PolarHBondContact O-N 2.89Å
370	T	84	Confident	82.9	Confident	106 Å²	106	64.5 Å²	64.5	65%	0.65	34%	0.338	S	S	*	.	H	α-helix	trans	-74.6	-20.9	179.2	61.7	0	0	0	0	113	S366 I367 L368 S372	S366-T370 PolarHBondContact O-N 3.22Å; I367-T370 PolarHBondContact O-N 3.34Å; I367-T370 PolarHBondContact O-OG1 3.15Å; L368-T370 VanDerWaalsContact C-N 3.29Å; L368-T370 PolarHBondContact O-N 3.18Å; T370-S372 PolarHBondContact O-N 2.84Å
371	Y	83.9	Confident	83.3	Confident	67 Å²	67	67.5 Å²	67.5	26%	0.263	35%	0.351	S	S	.	.			trans	-71.5	122.7	178.7	-73.5	-97.4	0	0	0	110.7	I354 I367 S369 E375 K376 L379	I354-Y371 HydrophobicContact CD1-CD1 4.27Å; I354-Y371 HydrophobicContact CD1-CD2 4.08Å; I354-Y371 HydrophobicContact CD1-CE1 3.98Å; I354-Y371 HydrophobicContact CD1-CE2 3.79Å; I354-Y371 HydrophobicContact CD1-CG 4.32Å; I354-Y371 HydrophobicContact CG1-CE1 4.19Å; I354-Y371 HydrophobicContact CG1-CE2 4.36Å; I354-Y371 HydrophobicContact CG2-CE2 4.25Å; I367-Y371 HydrophobicContact CG2-CE2 4.23Å; I367-Y371 VanDerWaalsContact O-CD2 3.28Å; I367-Y371 WeakPolarHBondContact O-CD2 3.44Å; S369-Y371 VanDerWaalsContact C-N 3.3Å; S369-Y371 PolarHBondContact O-N 2.89Å; Y371-E375 HydrophobicContact CD1-CB 4.29Å; Y371-K376 WeakPolarHBondContact O-CE 3.48Å; Y371-K376 PolarHBondContact O-NZ 2.98Å; Y371-L379 HydrophobicContact CD1-CD1 4.32Å; Y371-L379 HydrophobicContact CE1-CD1 4.29Å
372	S	86	Confident	83.8	Confident	51 Å²	51	68 Å²	68	36%	0.357	35%	0.353	S	S	.	.			trans	-70.9	161.7	173.7	68.2	0	0	0	0	112.2	T370 K374 E375 K376	T370-S372 PolarHBondContact O-N 2.84Å; S372-K374 PolarHBondContact O-N 2.78Å; S372-E375 VanDerWaalsContact CB-OE2 3.28Å; S372-E375 WeakPolarHBondContact CB-OE2 3.4Å; S372-E375 PolarHBondContact N-OE2 3.45Å; S372-E375 PolarHBondContact O-N 3Å; S372-E375 VanDerWaalsContact OG-CD 3.3Å; S372-E375 VanDerWaalsContact OG-CG 3.32Å; S372-E375 WeakPolarHBondContact OG-CG 3.14Å; S372-E375 PolarHBondContact OG-N 3.34Å; S372-E375 PolarHBondContact OG-OE2 3.22Å; S372-K376 WeakPolarHBondContact O-CG 3.43Å; S372-K376 PolarHBondContact O-N 2.83Å; S372-K376 VanDerWaalsContact O-N 3.09Å
373	S	86	Confident	84.6	Confident	105 Å²	105	60.4 Å²	60.4	73%	0.734	32%	0.318	S	S	*	.	H	α-helix	trans	-59.6	-34.7	174.2	54.7	0	0	0	0	112.6	S377	S373-S377 WeakPolarHBondContact O-CB 3.5Å; S373-S377 PolarHBondContact O-N 3.02Å
374	K	85.2	Confident	85.1	Confident	155 Å²	155	59.3 Å²	59.3	67%	0.674	32%	0.316	S	S	*	.	H	α-helix	trans	-65.8	-47	177.2	-173.2	178.7	179	-178.2	0	111.5	S372 S377 L378	S372-K374 PolarHBondContact O-N 2.78Å; K374-S377 WeakPolarHBondContact O-CB 3.44Å; K374-S377 PolarHBondContact O-N 3.06Å; K374-L378 WeakPolarHBondContact O-CG 3.45Å; K374-L378 PolarHBondContact O-N 2.91Å
375	E	85.5	Confident	85.7	Confident	93 Å²	93	60.5 Å²	60.5	44%	0.435	32%	0.321	S	S	.	.	H	α-helix	trans	-62.2	-45.2	177.4	-72	160.8	135.2	0	0	111.4	Y371 S372 S377 L378 L379	Y371-E375 HydrophobicContact CD1-CB 4.29Å; S372-E375 VanDerWaalsContact CB-OE2 3.28Å; S372-E375 WeakPolarHBondContact CB-OE2 3.4Å; S372-E375 PolarHBondContact N-OE2 3.45Å; S372-E375 PolarHBondContact O-N 3Å; S372-E375 VanDerWaalsContact OG-CD 3.3Å; S372-E375 VanDerWaalsContact OG-CG 3.32Å; S372-E375 WeakPolarHBondContact OG-CG 3.14Å; S372-E375 PolarHBondContact OG-N 3.34Å; S372-E375 PolarHBondContact OG-OE2 3.22Å; E375-S377 VanDerWaalsContact C-N 3.29Å; E375-S377 PolarHBondContact O-N 2.89Å; E375-L378 PolarHBondContact O-N 2.68Å; E375-L378 VanDerWaalsContact O-N 3.14Å; E375-L379 PolarHBondContact O-N 3.13Å
376	K	86.6	Confident	86.5	Confident	13 Å²	13	60 Å²	60	6%	0.057	32%	0.318	C	S	.	.	H	α-helix	trans	-59.6	-39.7	175	-65.4	175.5	-157.2	-175.8	0	112.2	E307 F308 I331 Y371 S372 R380	E307-K376 WeakPolarHBondContact OE1-CD 3.22Å; E307-K376 IonicContact OE1-NZ 3.76Å; E307-K376 PolarHBondContact OE1-NZ 3.11Å; F308-K376 HydrophobicContact CZ-CD 3.93Å; F308-K376 HydrophobicContact CZ-CG 4.27Å; I331-K376 HydrophobicContact CD1-CB 3.78Å; I331-K376 HydrophobicContact CD1-CG 3.96Å; Y371-K376 WeakPolarHBondContact O-CE 3.48Å; Y371-K376 PolarHBondContact O-NZ 2.98Å; S372-K376 WeakPolarHBondContact O-CG 3.43Å; S372-K376 PolarHBondContact O-N 2.83Å; S372-K376 VanDerWaalsContact O-N 3.09Å; K376-R380 VanDerWaalsContact O-CG 3.31Å; K376-R380 WeakPolarHBondContact O-CG 3.27Å; K376-R380 PolarHBondContact O-N 3.44Å
377	S	86.7	Confident	87.3	Confident	54 Å²	54	58.9 Å²	58.9	38%	0.378	31%	0.306	S	S	.	.	H	α-helix	trans	-63.5	-41	176.1	-175.6	0	0	0	0	111.8	S373 K374 E375 R380 K381	S373-S377 WeakPolarHBondContact O-CB 3.5Å; S373-S377 PolarHBondContact O-N 3.02Å; K374-S377 WeakPolarHBondContact O-CB 3.44Å; K374-S377 PolarHBondContact O-N 3.06Å; E375-S377 VanDerWaalsContact C-N 3.29Å; E375-S377 PolarHBondContact O-N 2.89Å; S377-R380 PolarHBondContact O-N 3.22Å; S377-K381 WeakPolarHBondContact O-CG 3.29Å; S377-K381 PolarHBondContact O-N 2.67Å
378	L	84.7	Confident	87.9	Confident	101 Å²	101	62.1 Å²	62.1	53%	0.529	32%	0.321	S	S	.	.	H	α-helix	trans	-65.8	-46.5	176.5	-69	173.2	0	0	0	111.9	K374 E375 R380 K381 Q382	K374-L378 WeakPolarHBondContact O-CG 3.45Å; K374-L378 PolarHBondContact O-N 2.91Å; E375-L378 PolarHBondContact O-N 2.68Å; E375-L378 VanDerWaalsContact O-N 3.14Å; L378-R380 VanDerWaalsContact C-N 3.3Å; L378-R380 PolarHBondContact O-N 3Å; L378-K381 PolarHBondContact O-N 3.39Å; L378-Q382 PolarHBondContact O-N 2.74Å
379	L	87.7	Confident	88.4	Confident	20 Å²	20	67 Å²	67	11%	0.105	34%	0.338	C	S	.	.	H	α-helix	trans	-55	-47	174.8	-73.4	173.2	0	0	0	111.1	I331 K351 I354 Y371 E375 K381 Q382 I383	I331-L379 HydrophobicContact CD1-CB 4.22Å; I331-L379 HydrophobicContact CD1-CD1 4.27Å; I331-L379 HydrophobicContact CG1-CB 4.34Å; I331-L379 HydrophobicContact CG2-CD1 4.06Å; K351-L379 VanDerWaalsContact O-CD2 3.3Å; K351-L379 WeakPolarHBondContact O-CD2 3.37Å; I354-L379 HydrophobicContact CD1-CD1 4.37Å; I354-L379 HydrophobicContact CG1-CD1 4.31Å; Y371-L379 HydrophobicContact CD1-CD1 4.32Å; Y371-L379 HydrophobicContact CE1-CD1 4.29Å; E375-L379 PolarHBondContact O-N 3.13Å; L379-K381 PolarHBondContact O-N 3.33Å; L379-Q382 WeakPolarHBondContact O-CB 3.08Å; L379-Q382 PolarHBondContact O-N 2.62Å; L379-I383 VanDerWaalsContact O-CG1 3.24Å; L379-I383 WeakPolarHBondContact O-CG1 3.18Å; L379-I383 PolarHBondContact O-N 2.88Å
380	R	90	Very high	89.2	Confident	50 Å²	50	65.1 Å²	65.1	19%	0.189	32%	0.324	C	S	.	.	H	α-helix	trans	-64	-41.9	179.1	-72.5	176.5	-176.2	137.9	7.1	113.4	E307 I331 K376 S377 L378 Q382 I383 M384	E307-R380 VanDerWaalsContact CB-NH2 3.33Å; E307-R380 PolarHBondContact O-NH2 3.07Å; E307-R380 IonicContact OE2-CZ 2.67Å; E307-R380 IonicContact OE2-NH1 3.66Å; E307-R380 IonicContact OE2-NH2 2.68Å; E307-R380 PolarHBondContact OE2-NH2 2.9Å; I331-R380 HydrophobicContact CD1-CG 4.11Å; I331-R380 HydrophobicContact CG1-CG 3.83Å; K376-R380 VanDerWaalsContact O-CG 3.31Å; K376-R380 WeakPolarHBondContact O-CG 3.27Å; K376-R380 PolarHBondContact O-N 3.44Å; S377-R380 PolarHBondContact O-N 3.22Å; L378-R380 VanDerWaalsContact C-N 3.3Å; L378-R380 PolarHBondContact O-N 3Å; R380-Q382 VanDerWaalsContact C-N 3.27Å; R380-Q382 PolarHBondContact O-N 2.87Å; R380-I383 PolarHBondContact O-N 3.47Å; R380-M384 WeakPolarHBondContact O-CB 3.32Å; R380-M384 PolarHBondContact O-N 3.11Å
381	K	88.9	Confident	89.7	Confident	133 Å²	133	60 Å²	60	58%	0.578	29%	0.293	S	S	*	.	H	α-helix	trans	-60	-41.8	174.9	-75.6	178.1	-179.7	-175.3	0	110.9	S377 L378 L379 F385	S377-K381 WeakPolarHBondContact O-CG 3.29Å; S377-K381 PolarHBondContact O-N 2.67Å; L378-K381 PolarHBondContact O-N 3.39Å; L379-K381 PolarHBondContact O-N 3.33Å; K381-F385 PolarHBondContact O-N 2.93Å; K381-F385 VanDerWaalsContact O-N 3.1Å
382	Q	88.3	Confident	90.2	Very high	28 Å²	28	59 Å²	59	13%	0.131	30%	0.296	C	S	.	.	H	α-helix	trans	-67.2	-44.9	177.2	-169.9	72.5	15.7	0	0	112.1	K351 I352 L378 L379 R380 M384 F385 I386 N421	K351-Q382 HydrophobicContact CB-CG 3.89Å; K351-Q382 WeakPolarHBondContact O-CB 3.22Å; K351-Q382 WeakPolarHBondContact O-CG 3.34Å; I352-Q382 HydrophobicContact CG2-CB 3.98Å; I352-Q382 HydrophobicContact CG2-CG 3.4Å; L378-Q382 PolarHBondContact O-N 2.74Å; L379-Q382 WeakPolarHBondContact O-CB 3.08Å; L379-Q382 PolarHBondContact O-N 2.62Å; R380-Q382 VanDerWaalsContact C-N 3.27Å; R380-Q382 PolarHBondContact O-N 2.87Å; Q382-M384 VanDerWaalsContact C-N 3.3Å; Q382-M384 PolarHBondContact O-N 2.84Å; Q382-F385 WeakPolarHBondContact O-CB 3.17Å; Q382-F385 PolarHBondContact O-N 2.96Å; Q382-I386 HydrophobicContact CG-CG1 4.41Å; Q382-I386 WeakPolarHBondContact O-CG1 3.34Å; Q382-I386 PolarHBondContact O-N 3.49Å; Q382-N421 PolarHBondContact NE2-O 3.03Å
383	I	92.6	Very high	90.6	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-55	-48.4	175.7	-70.9	161.6	0	0	0	110.2	L326 I331 I352 L379 R380 F385 I386 Y387	L326-I383 HydrophobicContact CB-CG2 4.27Å; L326-I383 HydrophobicContact CD2-CG1 4.16Å; L326-I383 HydrophobicContact CD2-CG2 3.76Å; L326-I383 WeakPolarHBondContact O-CG2 3.28Å; I331-I383 HydrophobicContact CB-CD1 4.46Å; I331-I383 HydrophobicContact CG1-CD1 4.15Å; I352-I383 HydrophobicContact CB-CG1 3.81Å; I352-I383 HydrophobicContact CG2-CG1 4.07Å; I352-I383 WeakPolarHBondContact O-CD1 3.34Å; I352-I383 WeakPolarHBondContact O-CG1 3.39Å; L379-I383 VanDerWaalsContact O-CG1 3.24Å; L379-I383 WeakPolarHBondContact O-CG1 3.18Å; L379-I383 PolarHBondContact O-N 2.88Å; R380-I383 PolarHBondContact O-N 3.47Å; I383-F385 PolarHBondContact O-N 2.79Å; I383-I386 PolarHBondContact O-N 3.42Å; I383-Y387 VanDerWaalsContact O-CB 3.29Å; I383-Y387 WeakPolarHBondContact O-CB 3.29Å; I383-Y387 PolarHBondContact O-N 3.31Å
384	M	92.1	Very high	91.1	Very high	104 Å²	104	53.6 Å²	53.6	51%	0.512	26%	0.257	S	S	.	.	H	α-helix	trans	-60.7	-44.5	-180	-172.6	177.2	76	0	0	111.8	R380 Q382 Q388	R380-M384 WeakPolarHBondContact O-CB 3.32Å; R380-M384 PolarHBondContact O-N 3.11Å; Q382-M384 VanDerWaalsContact C-N 3.3Å; Q382-M384 PolarHBondContact O-N 2.84Å; M384-Q388 HydrophobicContact CG-CG 4.41Å; M384-Q388 VanDerWaalsContact O-CB 3.27Å; M384-Q388 WeakPolarHBondContact O-CB 3.48Å; M384-Q388 WeakPolarHBondContact O-CG 3.47Å; M384-Q388 PolarHBondContact O-N 3.02Å
385	F	91.5	Very high	91.6	Very high	26 Å²	26	50.5 Å²	50.5	11%	0.114	25%	0.245	C	C	.	.	H	α-helix	trans	-58.7	-52.5	175.1	161	-108.8	0	0	0	112	K381 Q382 I383 Y387 Q388 R389 P423	K381-F385 PolarHBondContact O-N 2.93Å; K381-F385 VanDerWaalsContact O-N 3.1Å; Q382-F385 WeakPolarHBondContact O-CB 3.17Å; Q382-F385 PolarHBondContact O-N 2.96Å; I383-F385 PolarHBondContact O-N 2.79Å; F385-Y387 PolarHBondContact O-N 2.95Å; F385-Q388 PolarHBondContact O-N 2.84Å; F385-R389 HydrophobicContact CE2-CB 4.38Å; F385-R389 VanDerWaalsContact CE2-CD 3.44Å; F385-R389 VanDerWaalsContact O-CB 3.25Å; F385-R389 WeakPolarHBondContact O-CB 3.29Å; F385-R389 PolarHBondContact O-N 3.11Å; F385-P423 HydrophobicContact CD1-CB 4.48Å; F385-P423 HydrophobicContact CD2-CB 3.63Å; F385-P423 VanDerWaalsContact CE2-CA 3.49Å; F385-P423 HydrophobicContact CE2-CB 3.88Å; F385-P423 HydrophobicContact CG-CB 3.95Å; F385-P423 HydrophobicContact CZ-CB 4.41Å
386	I	93.2	Very high	92.2	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-47	-178.7	-70	-57.6	0	0	0	110.8	L347 I352 Q382 I383 R389 Y390 F391	L347-I386 HydrophobicContact CD1-CG2 3.9Å; L347-I386 HydrophobicContact CD2-CD1 3.94Å; I352-I386 HydrophobicContact CD1-CG2 4.05Å; I352-I386 HydrophobicContact CG2-CB 4.33Å; I352-I386 HydrophobicContact CG2-CG1 3.8Å; Q382-I386 HydrophobicContact CG-CG1 4.41Å; Q382-I386 WeakPolarHBondContact O-CG1 3.34Å; Q382-I386 PolarHBondContact O-N 3.49Å; I383-I386 PolarHBondContact O-N 3.42Å; I386-R389 PolarHBondContact O-N 2.93Å; I386-Y390 HydrophobicContact CD1-CD2 3.9Å; I386-Y390 HydrophobicContact CD1-CE2 3.67Å; I386-Y390 HydrophobicContact CG2-CD2 4.24Å; I386-Y390 PolarHBondContact O-N 2.9Å; I386-F391 HydrophobicContact CG2-CD2 4.17Å; I386-F391 HydrophobicContact CG2-CE2 3.82Å; I386-F391 HydrophobicContact CG2-CZ 4.37Å
387	Y	95.2	Very high	92.8	Very high	25 Å²	25	49 Å²	49	10%	0.098	24%	0.237	C	C	.	.	I	π-helix	trans	-60.7	-51.8	179.6	178	-98.6	0	0	0	111.2	Y323 L326 A327 I383 F385 R389 F391 S392	Y323-Y387 HydrophobicContact CE2-CE2 4.02Å; Y323-Y387 AromaticContact CZ-CE2 3.92Å; Y323-Y387 PolarHBondContact OH-OH 3.25Å; L326-Y387 HydrophobicContact CB-CD2 4.25Å; A327-Y387 VanDerWaalsContact CA-CE2 3.41Å; A327-Y387 HydrophobicContact CB-CD2 4.07Å; A327-Y387 HydrophobicContact CB-CE1 4.11Å; A327-Y387 HydrophobicContact CB-CE2 3.37Å; A327-Y387 WeakPolarHBondContact CB-OH 3.49Å; I383-Y387 VanDerWaalsContact O-CB 3.29Å; I383-Y387 WeakPolarHBondContact O-CB 3.29Å; I383-Y387 PolarHBondContact O-N 3.31Å; F385-Y387 PolarHBondContact O-N 2.95Å; Y387-R389 VanDerWaalsContact C-N 3.3Å; Y387-R389 PolarHBondContact O-N 2.99Å; Y387-F391 HydrophobicContact CD2-CB 3.77Å; Y387-F391 HydrophobicContact CE2-CB 4.2Å; Y387-F391 CarbonylContact O-C 3.52Å; Y387-F391 WeakPolarHBondContact O-CA 3.32Å; Y387-F391 PolarHBondContact O-N 3.44Å; Y387-S392 WeakPolarHBondContact O-CB 3.41Å; Y387-S392 PolarHBondContact O-N 2.84Å
388	Q	94	Very high	93.3	Very high	113 Å²	113	46.5 Å²	46.5	53%	0.528	22%	0.219	S	C	.	.	I	π-helix	trans	-60.6	-39.9	-179.3	-74.2	175.7	-11.9	0	0	112.4	M384 F385 S392	M384-Q388 HydrophobicContact CG-CG 4.41Å; M384-Q388 VanDerWaalsContact O-CB 3.27Å; M384-Q388 WeakPolarHBondContact O-CB 3.48Å; M384-Q388 WeakPolarHBondContact O-CG 3.47Å; M384-Q388 PolarHBondContact O-N 3.02Å; F385-Q388 PolarHBondContact O-N 2.84Å; Q388-S392 PolarHBondContact O-OG 3.41Å
389	R	94.3	Very high	93.9	Very high	114 Å²	114	43.9 Å²	43.9	43%	0.43	21%	0.206	S	C	.	.	I	π-helix	trans	-78.5	-40.6	-175.3	-167.7	166.7	170	114	-5.8	113.4	F385 I386 Y387	F385-R389 HydrophobicContact CE2-CB 4.38Å; F385-R389 VanDerWaalsContact CE2-CD 3.44Å; F385-R389 VanDerWaalsContact O-CB 3.25Å; F385-R389 WeakPolarHBondContact O-CB 3.29Å; F385-R389 PolarHBondContact O-N 3.11Å; I386-R389 PolarHBondContact O-N 2.93Å; Y387-R389 VanDerWaalsContact C-N 3.3Å; Y387-R389 PolarHBondContact O-N 2.99Å
390	Y	96.5	Very high	94.4	Very high	7 Å²	7	43.2 Å²	43.2	3%	0.027	20%	0.202	C	C	.	.	I	π-helix	trans	-118.7	-26.2	-167.8	-53.6	-58.4	0	0	0	114.9	L347 I386 K396 I397 T400 W420	L347-Y390 HydrophobicContact CD1-CD2 4.27Å; L347-Y390 HydrophobicContact CD2-CD2 3.83Å; L347-Y390 HydrophobicContact CD2-CE2 3.7Å; I386-Y390 HydrophobicContact CD1-CD2 3.9Å; I386-Y390 HydrophobicContact CD1-CE2 3.67Å; I386-Y390 HydrophobicContact CG2-CD2 4.24Å; I386-Y390 PolarHBondContact O-N 2.9Å; Y390-K396 CarbonylContact O-C 3.54Å; Y390-I397 WeakPolarHBondContact O-CA 3.14Å; Y390-I397 PolarHBondContact O-N 3.45Å; Y390-T400 HydrophobicContact CD1-CG2 3.86Å; Y390-T400 WeakPolarHBondContact CD1-OG1 3.4Å; Y390-T400 HydrophobicContact CG-CG2 4.36Å; Y390-W420 HydrophobicContact CD1-CE3 4.49Å; Y390-W420 HydrophobicContact CD1-CZ3 4.11Å; Y390-W420 AromaticContact CE1-CE3 3.6Å; Y390-W420 HydrophobicContact CE1-CE3 3.6Å; Y390-W420 AromaticContact CE1-CZ3 3.45Å; Y390-W420 HydrophobicContact CE1-CZ3 3.45Å; Y390-W420 VanDerWaalsContact CE1-CZ3 3.45Å; Y390-W420 WeakPolarHBondContact CE2-O 3.3Å; Y390-W420 AromaticContact CZ-CE3 3.61Å; Y390-W420 AromaticContact CZ-CZ3 3.99Å; Y390-W420 WeakPolarHBondContact OH-CA 3.5Å; Y390-W420 PolarHBondContact OH-O 2.95Å
391	F	95.8	Very high	94.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.194	C	C	.	.	I	π-helix	trans	-116.1	-13.4	-169.4	-59.2	-25	0	0	0	114.9	P210 Y323 L326 P342 F343 L347 W349 I386 Y387 S393	P210-F391 HydrophobicContact CB-CD1 3.93Å; P210-F391 HydrophobicContact CB-CE1 4.05Å; P210-F391 HydrophobicContact CB-CG 4.23Å; P210-F391 HydrophobicContact CG-CD1 3.53Å; P210-F391 HydrophobicContact CG-CE1 3.8Å; P210-F391 HydrophobicContact CG-CG 4.2Å; Y323-F391 HydrophobicContact CE2-CB 4.22Å; Y323-F391 WeakPolarHBondContact CE2-O 3.44Å; Y323-F391 PolarHBondContact OH-O 3.1Å; L326-F391 HydrophobicContact CD1-CD2 3.87Å; L326-F391 HydrophobicContact CD1-CE2 3.72Å; P342-F391 HydrophobicContact CB-CE1 4.21Å; P342-F391 HydrophobicContact CB-CZ 3.87Å; F343-F391 HydrophobicContact CD2-CD1 4.26Å; F343-F391 AromaticContact CD2-CE1 3.4Å; F343-F391 HydrophobicContact CD2-CE1 3.4Å; F343-F391 VanDerWaalsContact CD2-CE1 3.4Å; F343-F391 HydrophobicContact CD2-CZ 4.22Å; F343-F391 HydrophobicContact CE2-CD1 4.05Å; F343-F391 AromaticContact CE2-CE1 3.59Å; F343-F391 HydrophobicContact CE2-CE1 3.59Å; F343-F391 HydrophobicContact CG-CE1 4.4Å; L347-F391 HydrophobicContact CD1-CE1 4.21Å; L347-F391 HydrophobicContact CD1-CE2 4.42Å; L347-F391 HydrophobicContact CD1-CZ 3.68Å; W349-F391 HydrophobicContact CZ2-CE2 4.45Å; W349-F391 HydrophobicContact CZ2-CZ 4.38Å; I386-F391 HydrophobicContact CG2-CD2 4.17Å; I386-F391 HydrophobicContact CG2-CE2 3.82Å; I386-F391 HydrophobicContact CG2-CZ 4.37Å; Y387-F391 HydrophobicContact CD2-CB 3.77Å; Y387-F391 HydrophobicContact CE2-CB 4.2Å; Y387-F391 CarbonylContact O-C 3.52Å; Y387-F391 WeakPolarHBondContact O-CA 3.32Å; Y387-F391 PolarHBondContact O-N 3.44Å; F391-S393 PolarHBondContact O-N 2.95Å; F391-S393 VanDerWaalsContact O-N 3.11Å
392	S	93.8	Very high	95.2	Very high	46 Å²	46	34.5 Å²	34.5	32%	0.322	17%	0.166	S	C	.	.	S	Bend	trans	-63.6	-19.7	-168.1	56.6	0	0	0	0	115.8	Y387 Q388	Y387-S392 WeakPolarHBondContact O-CB 3.41Å; Y387-S392 PolarHBondContact O-N 2.84Å; Q388-S392 PolarHBondContact O-OG 3.41Å
393	S	95.3	Very high	95.5	Very high	37 Å²	37	34.3 Å²	34.3	26%	0.259	17%	0.166	S	C	.	.	S	Bend	trans	-153.5	163.4	176.5	70.5	0	0	0	0	111.2	F391 E395 K396 I397	F391-S393 PolarHBondContact O-N 2.95Å; F391-S393 VanDerWaalsContact O-N 3.11Å; S393-E395 PolarHBondContact O-N 3.08Å; S393-E395 PolarHBondContact OG-N 3.38Å; S393-K396 PolarHBondContact O-N 3.48Å; S393-K396 VanDerWaalsContact O-N 3.15Å; S393-K396 PolarHBondContact OG-N 2.97Å; S393-I397 VanDerWaalsContact O-CG1 3.31Å; S393-I397 WeakPolarHBondContact O-CG1 3.41Å; S393-I397 PolarHBondContact O-N 3.05Å
394	I	95	Very high	95.5	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.026	17%	0.167	C	C	.	.	H	α-helix	trans	-52.6	-43.8	169.7	-66	-62.7	0	0	0	110.7	Q112 L116 F177 F212 K396 I397 I398	Q112-I394 HydrophobicContact CB-CD1 4.38Å; Q112-I394 HydrophobicContact CB-CG1 4.3Å; L116-I394 HydrophobicContact CB-CG2 3.89Å; F177-I394 HydrophobicContact CE2-CD1 3.36Å; F177-I394 HydrophobicContact CZ-CD1 3.52Å; F212-I394 HydrophobicContact CB-CD1 3.92Å; F212-I394 HydrophobicContact CD1-CD1 3.48Å; F212-I394 VanDerWaalsContact CD1-CD1 3.48Å; F212-I394 HydrophobicContact CD1-CG1 3.92Å; F212-I394 HydrophobicContact CD2-CD1 4.21Å; F212-I394 HydrophobicContact CE1-CD1 3.99Å; F212-I394 HydrophobicContact CE1-CG1 3.88Å; F212-I394 HydrophobicContact CG-CD1 3.6Å; F212-I394 HydrophobicContact CG-CG1 4.26Å; F212-I394 HydrophobicContact CZ-CG1 4.23Å; I394-K396 VanDerWaalsContact C-N 3.34Å; I394-K396 PolarHBondContact O-N 3.18Å; I394-I397 PolarHBondContact O-N 3.48Å; I394-I398 HydrophobicContact CG2-CG1 3.95Å; I394-I398 WeakPolarHBondContact O-CB 3.34Å; I394-I398 VanDerWaalsContact O-CG1 3.23Å; I394-I398 WeakPolarHBondContact O-CG1 3.14Å; I394-I398 PolarHBondContact O-N 3.46Å
395	E	97.1	Very high	95.6	Very high	89 Å²	89	29.8 Å²	29.8	42%	0.416	14%	0.144	S	C	.	.	H	α-helix	trans	-54.3	-49.3	177.8	-171.7	-162.3	138.9	0	0	111.8	T119 S393 I398 L399	T119-E395 HydrophobicContact CG2-CB 4.29Å; T119-E395 HydrophobicContact CG2-CG 3.77Å; T119-E395 WeakPolarHBondContact OG1-CA 3.18Å; S393-E395 PolarHBondContact O-N 3.08Å; S393-E395 PolarHBondContact OG-N 3.38Å; E395-I398 PolarHBondContact O-N 2.98Å; E395-L399 HydrophobicContact CG-CD1 4.04Å; E395-L399 WeakPolarHBondContact O-CB 3.15Å; E395-L399 VanDerWaalsContact O-CG 3.29Å; E395-L399 WeakPolarHBondContact O-CG 3.47Å; E395-L399 PolarHBondContact O-N 2.88Å
396	K	97.5	Very high	95.6	Very high	76 Å²	76	28.9 Å²	28.9	33%	0.33	14%	0.14	S	C	.	.	H	α-helix	trans	-64.7	-42	178.5	-65.4	-53.1	-174.6	-165.7	0	112.5	Y390 S393 I394 I398 T400	Y390-K396 CarbonylContact O-C 3.54Å; S393-K396 PolarHBondContact O-N 3.48Å; S393-K396 VanDerWaalsContact O-N 3.15Å; S393-K396 PolarHBondContact OG-N 2.97Å; I394-K396 VanDerWaalsContact C-N 3.34Å; I394-K396 PolarHBondContact O-N 3.18Å; K396-I398 VanDerWaalsContact C-N 3.34Å; K396-I398 PolarHBondContact O-N 2.96Å; K396-T400 VanDerWaalsContact O-CB 3.31Å; K396-T400 WeakPolarHBondContact O-CB 3.48Å; K396-T400 PolarHBondContact O-N 3.38Å; K396-T400 PolarHBondContact O-OG1 3.18Å
397	I	97.8	Very high	95.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.8	-45.2	179.1	-65.9	164.5	0	0	0	110.3	F177 L209 P210 F212 F343 Y390 S393 I394 T400 T401	F177-I397 HydrophobicContact CE1-CG2 4.23Å; F177-I397 HydrophobicContact CZ-CG2 4.46Å; L209-I397 HydrophobicContact CD2-CG2 4.2Å; P210-I397 HydrophobicContact CG-CB 4.48Å; P210-I397 HydrophobicContact CG-CD1 3.65Å; P210-I397 HydrophobicContact CG-CG1 3.64Å; P210-I397 HydrophobicContact CG-CG2 4.01Å; F212-I397 HydrophobicContact CB-CD1 3.9Å; F212-I397 HydrophobicContact CD2-CD1 3.81Å; F212-I397 HydrophobicContact CG-CD1 4.21Å; F343-I397 HydrophobicContact CZ-CG2 4.15Å; Y390-I397 WeakPolarHBondContact O-CA 3.14Å; Y390-I397 PolarHBondContact O-N 3.45Å; S393-I397 VanDerWaalsContact O-CG1 3.31Å; S393-I397 WeakPolarHBondContact O-CG1 3.41Å; S393-I397 PolarHBondContact O-N 3.05Å; I394-I397 PolarHBondContact O-N 3.48Å; I397-T400 PolarHBondContact O-N 2.78Å; I397-T401 WeakPolarHBondContact O-CB 3.13Å; I397-T401 PolarHBondContact O-N 2.77Å; I397-T401 PolarHBondContact O-OG1 2.76Å
398	I	97.8	Very high	94.6	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-69.2	-49.1	-179	-63.1	-59.9	0	0	0	110.6	L116 T119 V120 I175 I394 E395 K396 T400 T401 L402	L116-I398 HydrophobicContact CB-CD1 4.42Å; L116-I398 HydrophobicContact CB-CG1 4.22Å; L116-I398 HydrophobicContact CD1-CD1 3.65Å; L116-I398 HydrophobicContact CD1-CG1 4.34Å; L116-I398 HydrophobicContact CG-CD1 3.67Å; L116-I398 HydrophobicContact CG-CG1 3.89Å; T119-I398 HydrophobicContact CG2-CB 3.97Å; T119-I398 HydrophobicContact CG2-CG2 3.88Å; V120-I398 HydrophobicContact CG2-CG2 3.91Å; I175-I398 HydrophobicContact CD1-CD1 3.94Å; I175-I398 HydrophobicContact CG2-CD1 4.17Å; I394-I398 HydrophobicContact CG2-CG1 3.95Å; I394-I398 WeakPolarHBondContact O-CB 3.34Å; I394-I398 VanDerWaalsContact O-CG1 3.23Å; I394-I398 WeakPolarHBondContact O-CG1 3.14Å; I394-I398 PolarHBondContact O-N 3.46Å; E395-I398 PolarHBondContact O-N 2.98Å; K396-I398 VanDerWaalsContact C-N 3.34Å; K396-I398 PolarHBondContact O-N 2.96Å; I398-T400 VanDerWaalsContact C-N 3.27Å; I398-T400 PolarHBondContact O-N 2.83Å; I398-T401 WeakPolarHBondContact O-CA 3.34Å; I398-T401 VanDerWaalsContact O-CB 3.31Å; I398-T401 WeakPolarHBondContact O-CB 3.48Å; I398-T401 PolarHBondContact O-N 3.13Å; I398-L402 HydrophobicContact CG2-CD1 4.4Å; I398-L402 HydrophobicContact CG2-CG 4.37Å; I398-L402 WeakPolarHBondContact O-CG 3.49Å; I398-L402 PolarHBondContact O-N 3.3Å
399	L	98	Very high	94.1	Very high	46 Å²	46	24.7 Å²	24.7	24%	0.241	12%	0.12	C	C	.	.	H	α-helix	trans	-56.9	-41.8	176.2	-70.6	174.9	0	0	0	112	T119 E395 T401 L402 D403	T119-L399 HydrophobicContact CG2-CD2 4.08Å; T119-L399 HydrophobicContact CG2-CG 3.85Å; E395-L399 HydrophobicContact CG-CD1 4.04Å; E395-L399 WeakPolarHBondContact O-CB 3.15Å; E395-L399 VanDerWaalsContact O-CG 3.29Å; E395-L399 WeakPolarHBondContact O-CG 3.47Å; E395-L399 PolarHBondContact O-N 2.88Å; L399-T401 VanDerWaalsContact C-N 3.34Å; L399-T401 PolarHBondContact O-N 2.64Å; L399-L402 PolarHBondContact O-N 2.89Å; L399-D403 WeakPolarHBondContact O-CB 3.46Å; L399-D403 VanDerWaalsContact O-CG 3.23Å; L399-D403 PolarHBondContact O-N 3.26Å
400	T	97.7	Very high	93.3	Very high	5 Å²	5	19.6 Å²	19.6	3%	0.031	10%	0.101	C	C	.	.	H	α-helix	trans	-63.1	-40.4	175.5	-52.4	0	0	0	0	111.7	F343 I346 Y390 K396 I397 I398 D403 I404 W420	F343-T400 HydrophobicContact CD2-CG2 3.55Å; F343-T400 HydrophobicContact CE1-CG2 4.44Å; F343-T400 HydrophobicContact CE2-CG2 3.41Å; F343-T400 VanDerWaalsContact CE2-CG2 3.41Å; F343-T400 HydrophobicContact CG-CG2 4.21Å; F343-T400 HydrophobicContact CZ-CG2 3.9Å; I346-T400 HydrophobicContact CD1-CG2 4.11Å; Y390-T400 HydrophobicContact CD1-CG2 3.86Å; Y390-T400 WeakPolarHBondContact CD1-OG1 3.4Å; Y390-T400 HydrophobicContact CG-CG2 4.36Å; K396-T400 VanDerWaalsContact O-CB 3.31Å; K396-T400 WeakPolarHBondContact O-CB 3.48Å; K396-T400 PolarHBondContact O-N 3.38Å; K396-T400 PolarHBondContact O-OG1 3.18Å; I397-T400 PolarHBondContact O-N 2.78Å; I398-T400 VanDerWaalsContact C-N 3.27Å; I398-T400 PolarHBondContact O-N 2.83Å; T400-D403 PolarHBondContact O-N 3.25Å; T400-I404 HydrophobicContact CG2-CD1 4.31Å; T400-I404 VanDerWaalsContact O-CG1 3.31Å; T400-I404 WeakPolarHBondContact O-CG1 3.4Å; T400-I404 PolarHBondContact O-N 3.32Å; T400-W420 HydrophobicContact CG2-CH2 4.25Å; T400-W420 HydrophobicContact CG2-CZ3 3.95Å
401	T	97.8	Very high	92	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-61.5	-44.2	175.5	-57.5	0	0	0	0	111.1	A192 I207 L209 I397 I398 L399 I404 L405	A192-T401 HydrophobicContact CB-CG2 4.12Å; I207-T401 HydrophobicContact CD1-CG2 3.69Å; I207-T401 HydrophobicContact CG2-CG2 4.3Å; L209-T401 HydrophobicContact CD2-CG2 4.36Å; L209-T401 VanDerWaalsContact CD2-OG1 3.25Å; L209-T401 WeakPolarHBondContact CD2-OG1 3.34Å; I397-T401 WeakPolarHBondContact O-CB 3.13Å; I397-T401 PolarHBondContact O-N 2.77Å; I397-T401 PolarHBondContact O-OG1 2.76Å; I398-T401 WeakPolarHBondContact O-CA 3.34Å; I398-T401 VanDerWaalsContact O-CB 3.31Å; I398-T401 WeakPolarHBondContact O-CB 3.48Å; I398-T401 PolarHBondContact O-N 3.13Å; L399-T401 VanDerWaalsContact C-N 3.34Å; L399-T401 PolarHBondContact O-N 2.64Å; T401-I404 PolarHBondContact O-N 3.32Å; T401-L405 WeakPolarHBondContact O-CG 3.4Å; T401-L405 PolarHBondContact O-N 2.8Å; T401-L405 VanDerWaalsContact O-N 3.16Å
402	L	97.5	Very high	90.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-68.1	-37.5	178.3	-59	-171.4	0	0	0	112	I95 Y125 L173 I398 L399 L405 N406	I95-L402 HydrophobicContact CD1-CB 4.42Å; I95-L402 HydrophobicContact CD1-CD1 3.9Å; I95-L402 HydrophobicContact CD1-CD2 3.37Å; I95-L402 HydrophobicContact CD1-CG 4.05Å; Y125-L402 HydrophobicContact CD2-CB 3.61Å; Y125-L402 HydrophobicContact CD2-CD1 3.76Å; Y125-L402 HydrophobicContact CD2-CG 4.33Å; Y125-L402 HydrophobicContact CE2-CB 3.63Å; L173-L402 HydrophobicContact CD2-CD2 4.39Å; I398-L402 HydrophobicContact CG2-CD1 4.4Å; I398-L402 HydrophobicContact CG2-CG 4.37Å; I398-L402 WeakPolarHBondContact O-CG 3.49Å; I398-L402 PolarHBondContact O-N 3.3Å; L399-L402 PolarHBondContact O-N 2.89Å; L402-L405 HydrophobicContact CD2-CD1 4.43Å; L402-L405 PolarHBondContact O-N 3.26Å; L402-N406 WeakPolarHBondContact O-CB 3.21Å; L402-N406 PolarHBondContact O-N 3.35Å
403	D	95	Very high	89.4	Confident	24 Å²	24	27.1 Å²	27.1	13%	0.128	13%	0.131	C	C	.	.	H	α-helix	trans	-62	-43.4	174.4	-79.3	-25.8	0	0	0	112.1	Y125 L399 T400 L405 N406 D407 R415 W420	Y125-D403 PolarHBondContact OH-OD1 3.27Å; L399-D403 WeakPolarHBondContact O-CB 3.46Å; L399-D403 VanDerWaalsContact O-CG 3.23Å; L399-D403 PolarHBondContact O-N 3.26Å; T400-D403 PolarHBondContact O-N 3.25Å; D403-L405 VanDerWaalsContact C-N 3.32Å; D403-L405 PolarHBondContact O-N 3.42Å; D403-N406 WeakPolarHBondContact O-CB 3.16Å; D403-N406 PolarHBondContact O-N 3.26Å; D403-D407 WeakPolarHBondContact O-CB 3.44Å; D403-D407 VanDerWaalsContact O-CG 3.29Å; D403-D407 PolarHBondContact O-N 3.38Å; D403-R415 VanDerWaalsContact CB-NH1 3.27Å; D403-R415 VanDerWaalsContact CG-CZ 3.43Å; D403-R415 VanDerWaalsContact CG-NH1 3.28Å; D403-R415 IonicContact OD1-CZ 3.6Å; D403-R415 IonicContact OD1-NH1 3.46Å; D403-R415 PolarHBondContact OD1-NH1 3.36Å; D403-R415 IonicContact OD1-NH2 3.78Å; D403-R415 PolarHBondContact OD1-NH2 2.89Å; D403-R415 IonicContact OD2-CZ 3.89Å; D403-R415 IonicContact OD2-NH1 3.53Å; D403-R415 IonicContact OD2-NH2 3.34Å; D403-R415 PolarHBondContact OD2-NH2 3.4Å; D403-W420 HydrophobicContact CB-CH2 3.71Å; D403-W420 HydrophobicContact CB-CZ2 4.23Å
404	I	93.1	Very high	88.2	Confident	4 Å²	4	26.8 Å²	26.8	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-59.7	-43.8	173.6	-69	164	0	0	0	110.8	I207 F343 I346 T400 T401 N406 D407 R408	I207-I404 HydrophobicContact CD1-CB 4.37Å; I207-I404 HydrophobicContact CD1-CG2 4.03Å; I207-I404 HydrophobicContact CG1-CG2 4.36Å; I207-I404 HydrophobicContact CG2-CD1 4.32Å; F343-I404 HydrophobicContact CB-CD1 4.14Å; F343-I404 HydrophobicContact CD1-CD1 3.37Å; F343-I404 HydrophobicContact CE1-CD1 3.89Å; F343-I404 HydrophobicContact CG-CD1 3.85Å; I346-I404 HydrophobicContact CD1-CD1 3.84Å; I346-I404 HydrophobicContact CD1-CG1 3.85Å; I346-I404 HydrophobicContact CG1-CD1 3.96Å; I346-I404 HydrophobicContact CG1-CG1 4.07Å; I346-I404 HydrophobicContact CG2-CG1 4.22Å; T400-I404 HydrophobicContact CG2-CD1 4.31Å; T400-I404 VanDerWaalsContact O-CG1 3.31Å; T400-I404 WeakPolarHBondContact O-CG1 3.4Å; T400-I404 PolarHBondContact O-N 3.32Å; T401-I404 PolarHBondContact O-N 3.32Å; I404-N406 VanDerWaalsContact C-N 3.32Å; I404-N406 PolarHBondContact O-N 3.14Å; I404-D407 PolarHBondContact O-N 3.42Å; I404-R408 VanDerWaalsContact O-CG 3.32Å; I404-R408 WeakPolarHBondContact O-CG 3.4Å; I404-R408 PolarHBondContact O-N 3.29Å; I404-R408 VanDerWaalsContact O-N 3.1Å
405	L	93.7	Very high	87.3	Confident	5 Å²	5	28.7 Å²	28.7	3%	0.026	14%	0.135	C	C	.	.	H	α-helix	trans	-64.7	-38.7	177.5	-69.4	169.7	0	0	0	111.8	I93 I135 L173 I190 I207 T401 L402 D403 R408 V409	I93-L405 HydrophobicContact CD1-CB 3.72Å; I135-L405 HydrophobicContact CD1-CB 4.07Å; I135-L405 HydrophobicContact CD1-CD1 3.81Å; I135-L405 HydrophobicContact CD1-CD2 4.23Å; I135-L405 HydrophobicContact CD1-CG 4.26Å; L173-L405 HydrophobicContact CD1-CD1 4.37Å; L173-L405 HydrophobicContact CD2-CD1 3.73Å; I190-L405 HydrophobicContact CD1-CD2 4.04Å; I207-L405 HydrophobicContact CD1-CD1 4.23Å; I207-L405 HydrophobicContact CD1-CD2 3.73Å; I207-L405 HydrophobicContact CD1-CG 3.67Å; T401-L405 WeakPolarHBondContact O-CG 3.4Å; T401-L405 PolarHBondContact O-N 2.8Å; T401-L405 VanDerWaalsContact O-N 3.16Å; L402-L405 HydrophobicContact CD2-CD1 4.43Å; L402-L405 PolarHBondContact O-N 3.26Å; D403-L405 VanDerWaalsContact C-N 3.32Å; D403-L405 PolarHBondContact O-N 3.42Å; L405-R408 PolarHBondContact O-N 2.5Å; L405-V409 VanDerWaalsContact O-CG2 3.26Å; L405-V409 WeakPolarHBondContact O-CG2 3.38Å; L405-V409 PolarHBondContact O-N 3.44Å; L405-V409 VanDerWaalsContact O-N 3.13Å
406	N	91.2	Very high	85.8	Confident	6 Å²	6	25.2 Å²	25.2	3%	0.032	12%	0.121	C	C	.	.	H	α-helix	trans	-62.6	-48.7	176.5	-169.2	73.4	0	0	0	111.7	H91 H92 I93 Y125 L402 D403 I404 R408 V409 F410	H91-N406 PolarHBondContact O-ND2 3.34Å; H91-N406 PolarHBondContact O-OD1 3.42Å; H92-N406 VanDerWaalsContact CA-OD1 3.23Å; H92-N406 WeakPolarHBondContact CA-OD1 3.44Å; I93-N406 HydrophobicContact CD1-CB 4.35Å; I93-N406 HydrophobicContact CG1-CB 4.2Å; I93-N406 PolarHBondContact N-OD1 2.74Å; Y125-N406 HydrophobicContact CE1-CB 3.81Å; Y125-N406 WeakPolarHBondContact CE1-OD1 3.27Å; L402-N406 WeakPolarHBondContact O-CB 3.21Å; L402-N406 PolarHBondContact O-N 3.35Å; D403-N406 WeakPolarHBondContact O-CB 3.16Å; D403-N406 PolarHBondContact O-N 3.26Å; I404-N406 VanDerWaalsContact C-N 3.32Å; I404-N406 PolarHBondContact O-N 3.14Å; N406-R408 PolarHBondContact O-N 3.16Å; N406-V409 PolarHBondContact O-N 3.04Å; N406-V409 VanDerWaalsContact O-N 3.11Å; N406-F410 PolarHBondContact O-N 3.41Å
407	D	85	Confident	84.4	Confident	16 Å²	16	23.4 Å²	23.4	9%	0.086	11%	0.112	C	C	.	.	H	α-helix	trans	-60.8	-34.1	179.6	-72.3	5.9	0	0	0	111.6	D403 I404 F410 P411 R415 W420	D403-D407 WeakPolarHBondContact O-CB 3.44Å; D403-D407 VanDerWaalsContact O-CG 3.29Å; D403-D407 PolarHBondContact O-N 3.38Å; I404-D407 PolarHBondContact O-N 3.42Å; D407-F410 CarbonylContact O-C 3.55Å; D407-P411 WeakPolarHBondContact O-CA 3.31Å; D407-R415 IonicContact OD1-NH1 2.98Å; D407-R415 PolarHBondContact OD1-NH1 3.41Å; D407-R415 PolarHBondContact OD2-N 2.89Å; D407-R415 IonicContact OD2-NH1 3.99Å; D407-W420 WeakPolarHBondContact OD2-CZ2 3.25Å; D407-W420 PolarHBondContact OD2-NE1 3.06Å
408	R	84	Confident	82.9	Confident	33 Å²	33	23.8 Å²	23.8	13%	0.125	12%	0.115	C	C	.	.	H	α-helix	trans	-69.4	-39.2	174.2	-72.5	174	-179.4	178.7	0.1	113.3	K204 F205 D206 E345 I404 L405 N406	K204-R408 PolarHBondContact O-NE 2.97Å; K204-R408 PolarHBondContact O-NH1 3.45Å; F205-R408 PolarHBondContact O-NH1 3.26Å; D206-R408 PolarHBondContact O-NH2 3.12Å; E345-R408 IonicContact OE1-NE 3.01Å; E345-R408 IonicContact OE2-CZ 3.81Å; E345-R408 IonicContact OE2-NE 2.81Å; E345-R408 PolarHBondContact OE2-NE 3.33Å; E345-R408 IonicContact OE2-NH2 3.3Å; E345-R408 PolarHBondContact OE2-NH2 3.18Å; I404-R408 VanDerWaalsContact O-CG 3.32Å; I404-R408 WeakPolarHBondContact O-CG 3.4Å; I404-R408 PolarHBondContact O-N 3.29Å; I404-R408 VanDerWaalsContact O-N 3.1Å; L405-R408 PolarHBondContact O-N 2.5Å; N406-R408 PolarHBondContact O-N 3.16Å
409	V	82.7	Confident	81.9	Confident	3 Å²	3	25.9 Å²	25.9	2%	0.018	13%	0.125	C	C	.	.	H	α-helix	trans	-79.5	-34.8	-177.1	174.7	0	0	0	0	111.6	Y72 F76 C81 I93 L405 N406 P411	Y72-V409 HydrophobicContact CE2-CG2 4.13Å; Y72-V409 WeakPolarHBondContact OH-CA 3.4Å; Y72-V409 WeakPolarHBondContact OH-CG2 3.46Å; F76-V409 HydrophobicContact CE1-CG2 4.16Å; F76-V409 HydrophobicContact CZ-CG2 4.18Å; C81-V409 HydrophobicContact CB-CG1 3.53Å; I93-V409 HydrophobicContact CG2-CB 3.66Å; I93-V409 HydrophobicContact CG2-CG1 3.84Å; I93-V409 HydrophobicContact CG2-CG2 3.72Å; L405-V409 VanDerWaalsContact O-CG2 3.26Å; L405-V409 WeakPolarHBondContact O-CG2 3.38Å; L405-V409 PolarHBondContact O-N 3.44Å; L405-V409 VanDerWaalsContact O-N 3.13Å; N406-V409 PolarHBondContact O-N 3.04Å; N406-V409 VanDerWaalsContact O-N 3.11Å; V409-P411 VanDerWaalsContact C-CD 3.4Å; V409-P411 WeakPolarHBondContact O-CD 3.48Å
410	F	77.3	Confident	81.2	Confident	7 Å²	7	24.1 Å²	24.1	3%	0.031	12%	0.115	C	C	.	.			trans	-122.7	71	177.9	-56.2	-74.8	0	0	0	110.8	V82 H92 I93 N406 D407 Q412 Y413 S414	V82-F410 HydrophobicContact CG2-CE1 4.36Å; H92-F410 VanDerWaalsContact C-CE2 3.5Å; I93-F410 HydrophobicContact CG2-CD2 4.15Å; I93-F410 HydrophobicContact CG2-CE2 3.7Å; N406-F410 PolarHBondContact O-N 3.41Å; D407-F410 CarbonylContact O-C 3.55Å; F410-Q412 PolarHBondContact O-N 2.67Å; F410-Y413 HydrophobicContact CB-CD2 4.15Å; F410-Y413 PolarHBondContact O-N 3.16Å; F410-S414 PolarHBondContact O-N 3.46Å
411	P	68.6	Low	80.3	Confident	32 Å²	32	24 Å²	24	21%	0.208	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-50.2	-33.2	177.4	-27.7	36	0	0	0	112.3	D407 V409 Y413 S414 V435 A440	D407-P411 WeakPolarHBondContact O-CA 3.31Å; V409-P411 VanDerWaalsContact C-CD 3.4Å; V409-P411 WeakPolarHBondContact O-CD 3.48Å; P411-Y413 PolarHBondContact O-N 3.48Å; P411-S414 VanDerWaalsContact O-CB 3.3Å; P411-S414 WeakPolarHBondContact O-CB 3.24Å; P411-S414 PolarHBondContact O-N 3Å; P411-S414 PolarHBondContact O-OG 3.46Å; P411-V435 HydrophobicContact CB-CG1 3.61Å; P411-V435 WeakPolarHBondContact O-CB 3.24Å; P411-V435 WeakPolarHBondContact O-CG1 3.49Å; P411-V435 WeakPolarHBondContact O-CG2 3.41Å; P411-A440 HydrophobicContact CG-CB 4.46Å
412	Q	64.5	Low	79.3	Confident	66 Å²	66	27.7 Å²	27.7	31%	0.308	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-65.6	-18.4	-178	69.7	-81.9	14.1	0	0	115.6	F410 V435	F410-Q412 PolarHBondContact O-N 2.67Å; Q412-V435 HydrophobicContact CB-CB 4.28Å; Q412-V435 HydrophobicContact CB-CG1 3.88Å
413	Y	70.4	Confident	78.4	Confident	114 Å²	114	31 Å²	31	45%	0.447	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-119.3	14.8	174.5	-54.1	-69.4	0	0	0	111.2	H91 F410 P411	H91-Y413 HydrophobicContact CB-CD2 3.64Å; H91-Y413 HydrophobicContact CB-CE2 4Å; H91-Y413 HydrophobicContact CB-CG 4Å; H91-Y413 AromaticContact CD2-CZ 3.98Å; H91-Y413 AromaticContact CE1-CE2 3.45Å; H91-Y413 VanDerWaalsContact CE1-CE2 3.45Å; H91-Y413 WeakPolarHBondContact CE1-CE2 3.36Å; H91-Y413 AromaticContact CE1-CZ 3.26Å; H91-Y413 PolarHBondContact CE1-OH 2.76Å; H91-Y413 AromaticContact CG-CD2 3.62Å; H91-Y413 AromaticContact CG-CE2 3.45Å; H91-Y413 VanDerWaalsContact CG-CE2 3.45Å; H91-Y413 AromaticContact CG-CZ 3.72Å; H91-Y413 AromaticContact ND1-CD2 3.55Å; H91-Y413 AromaticContact ND1-CE2 2.92Å; H91-Y413 WeakPolarHBondContact ND1-CE2 3.3Å; H91-Y413 AromaticContact ND1-CZ 3.26Å; H91-Y413 VanDerWaalsContact ND1-CZ 3.26Å; H91-Y413 AromaticContact NE2-CZ 3.74Å; F410-Y413 HydrophobicContact CB-CD2 4.15Å; F410-Y413 PolarHBondContact O-N 3.16Å; P411-Y413 PolarHBondContact O-N 3.48Å
414	S	71.1	Confident	77.1	Confident	29 Å²	29	36.9 Å²	36.9	20%	0.203	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-67	144.4	179.5	69.5	0	0	0	0	110.7	F410 P411	F410-S414 PolarHBondContact O-N 3.46Å; P411-S414 VanDerWaalsContact O-CB 3.3Å; P411-S414 WeakPolarHBondContact O-CB 3.24Å; P411-S414 PolarHBondContact O-N 3Å; P411-S414 PolarHBondContact O-OG 3.46Å
415	R	75.5	Confident	75.6	Confident	45 Å²	45	40 Å²	40	17%	0.17	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-66.5	140.7	174.3	-62.1	-177.2	179.3	81.8	-11.5	110.6	D403 D407 E419 W420	D403-R415 VanDerWaalsContact CB-NH1 3.27Å; D403-R415 VanDerWaalsContact CG-CZ 3.43Å; D403-R415 VanDerWaalsContact CG-NH1 3.28Å; D403-R415 IonicContact OD1-CZ 3.6Å; D403-R415 IonicContact OD1-NH1 3.46Å; D403-R415 PolarHBondContact OD1-NH1 3.36Å; D403-R415 IonicContact OD1-NH2 3.78Å; D403-R415 PolarHBondContact OD1-NH2 2.89Å; D403-R415 IonicContact OD2-CZ 3.89Å; D403-R415 IonicContact OD2-NH1 3.53Å; D403-R415 IonicContact OD2-NH2 3.34Å; D403-R415 PolarHBondContact OD2-NH2 3.4Å; D407-R415 IonicContact OD1-NH1 2.98Å; D407-R415 PolarHBondContact OD1-NH1 3.41Å; D407-R415 PolarHBondContact OD2-N 2.89Å; D407-R415 IonicContact OD2-NH1 3.99Å; R415-E419 WeakPolarHBondContact CA-OE2 2.9Å; R415-E419 HydrophobicContact CB-CB 4.27Å; R415-E419 HydrophobicContact CB-CG 4.29Å; R415-E419 VanDerWaalsContact CB-OE2 3.26Å; R415-E419 WeakPolarHBondContact CB-OE2 3.42Å; R415-E419 VanDerWaalsContact CD-OE1 3.24Å; R415-E419 WeakPolarHBondContact CD-OE1 3.5Å; R415-E419 VanDerWaalsContact CG-CD 3.44Å; R415-E419 HydrophobicContact CG-CG 4.44Å; R415-E419 WeakPolarHBondContact CG-OE1 3.36Å; R415-E419 WeakPolarHBondContact CG-OE2 3.4Å; R415-E419 IonicContact NE-OE1 3.95Å; R415-E419 PolarHBondContact NE-OE1 3.39Å; R415-W420 HydrophobicContact CB-CZ2 4.34Å; R415-W420 HydrophobicContact CG-CZ2 4.44Å
416	S	66.7	Low	73.7	Confident	17 Å²	17	43.1 Å²	43.1	12%	0.119	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-70.3	160.5	175.7	66.6	0	0	0	0	111.5	A418 E419 W420	S416-A418 PolarHBondContact O-N 3.17Å; S416-E419 WeakPolarHBondContact O-CB 2.99Å; S416-E419 PolarHBondContact O-N 2.91Å; S416-E419 VanDerWaalsContact O-N 3.09Å; S416-E419 PolarHBondContact OG-N 2.9Å; S416-W420 PolarHBondContact O-N 2.71Å
417	Y	67.8	Low	71.7	Confident	37 Å²	37	50.9 Å²	50.9	15%	0.145	25%	0.252	C	S	.	.	H	α-helix	trans	-53.5	-38.3	171.5	169.8	-86.7	0	0	0	112.3	D348 K351 W420 N421 Y422 D622 H687	D348-Y417 HydrophobicContact CB-CE2 3.92Å; D348-Y417 WeakPolarHBondContact CB-OH 3.32Å; D348-Y417 PolarHBondContact OD2-OH 3.05Å; K351-Y417 WeakPolarHBondContact CE-OH 3.25Å; K351-Y417 PolarHBondContact NZ-OH 3.49Å; Y417-W420 PolarHBondContact O-N 3.24Å; Y417-N421 HydrophobicContact CE1-CB 4.28Å; Y417-N421 WeakPolarHBondContact O-CB 3.45Å; Y417-N421 PolarHBondContact O-N 2.92Å; Y417-N421 PolarHBondContact O-ND2 2.94Å; Y417-Y422 HydrophobicContact CE1-CE2 4.43Å; Y417-D622 VanDerWaalsContact CB-CG 3.47Å; Y417-D622 VanDerWaalsContact CB-OD1 3.24Å; Y417-D622 WeakPolarHBondContact CB-OD1 3.33Å; Y417-D622 VanDerWaalsContact CD2-O 3.3Å; Y417-D622 WeakPolarHBondContact CD2-O 3.3Å; Y417-D622 PolarHBondContact N-OD1 3.08Å; Y417-D622 PolarHBondContact N-OD2 3.1Å; Y417-H687 AromaticContact CE1-CE1 3.87Å
418	A	66.6	Low	69.4	Low	8 Å²	8	56.9 Å²	56.9	7%	0.066	29%	0.289	C	S	.	.	H	α-helix	trans	-65	-40.6	179.6	0	0	0	0	0	112.3	S416 W420 N421 Y422 Y425 L430	S416-A418 PolarHBondContact O-N 3.17Å; A418-W420 VanDerWaalsContact C-N 3.32Å; A418-W420 PolarHBondContact O-N 3.41Å; A418-N421 PolarHBondContact O-N 2.63Å; A418-Y422 HydrophobicContact CB-CD2 3.66Å; A418-Y422 HydrophobicContact CB-CE2 4.02Å; A418-Y422 WeakPolarHBondContact O-CB 3.35Å; A418-Y422 PolarHBondContact O-N 3.36Å; A418-Y425 HydrophobicContact CB-CD2 3.81Å; A418-Y425 HydrophobicContact CB-CE2 4.09Å; A418-L430 HydrophobicContact CB-CD1 3.38Å
419	E	76.2	Confident	67.3	Low	46 Å²	46	56.9 Å²	56.9	22%	0.215	30%	0.299	C	S	.	.	H	α-helix	trans	-65.3	-36.9	177.1	-171.3	-177.5	163.8	0	0	111.9	R415 S416 Y425	R415-E419 WeakPolarHBondContact CA-OE2 2.9Å; R415-E419 HydrophobicContact CB-CB 4.27Å; R415-E419 HydrophobicContact CB-CG 4.29Å; R415-E419 VanDerWaalsContact CB-OE2 3.26Å; R415-E419 WeakPolarHBondContact CB-OE2 3.42Å; R415-E419 VanDerWaalsContact CD-OE1 3.24Å; R415-E419 WeakPolarHBondContact CD-OE1 3.5Å; R415-E419 VanDerWaalsContact CG-CD 3.44Å; R415-E419 HydrophobicContact CG-CG 4.44Å; R415-E419 WeakPolarHBondContact CG-OE1 3.36Å; R415-E419 WeakPolarHBondContact CG-OE2 3.4Å; R415-E419 IonicContact NE-OE1 3.95Å; R415-E419 PolarHBondContact NE-OE1 3.39Å; S416-E419 WeakPolarHBondContact O-CB 2.99Å; S416-E419 PolarHBondContact O-N 2.91Å; S416-E419 VanDerWaalsContact O-N 3.09Å; S416-E419 PolarHBondContact OG-N 2.9Å; E419-Y425 HydrophobicContact CB-CD1 4.02Å; E419-Y425 HydrophobicContact CB-CD2 4.37Å; E419-Y425 HydrophobicContact CB-CE1 3.99Å; E419-Y425 HydrophobicContact CB-CE2 4.32Å; E419-Y425 HydrophobicContact CB-CG 4.22Å; E419-Y425 HydrophobicContact CG-CD1 3.92Å; E419-Y425 HydrophobicContact CG-CE1 3.93Å
420	W	82	Confident	65.2	Low	9 Å²	9	60.5 Å²	60.5	3%	0.034	32%	0.318	C	S	.	.	H	α-helix	trans	-70.2	-41.6	175.2	-76	117.2	0	0	0	112.9	I346 Y390 T400 D403 D407 R415 S416 Y417 A418	I346-W420 HydrophobicContact CB-CD2 4.03Å; I346-W420 HydrophobicContact CB-CG 3.98Å; I346-W420 HydrophobicContact CD1-CD2 3.53Å; I346-W420 HydrophobicContact CD1-CE3 3.32Å; I346-W420 HydrophobicContact CD1-CG 4.27Å; I346-W420 HydrophobicContact CD1-CH2 3.74Å; I346-W420 HydrophobicContact CD1-CZ2 3.92Å; I346-W420 HydrophobicContact CD1-CZ3 3.44Å; I346-W420 VanDerWaalsContact CD1-CZ3 3.44Å; I346-W420 HydrophobicContact CG1-CD2 4.39Å; I346-W420 HydrophobicContact CG2-CD2 4.45Å; I346-W420 HydrophobicContact CG2-CZ2 4.47Å; Y390-W420 HydrophobicContact CD1-CE3 4.49Å; Y390-W420 HydrophobicContact CD1-CZ3 4.11Å; Y390-W420 AromaticContact CE1-CE3 3.6Å; Y390-W420 HydrophobicContact CE1-CE3 3.6Å; Y390-W420 AromaticContact CE1-CZ3 3.45Å; Y390-W420 HydrophobicContact CE1-CZ3 3.45Å; Y390-W420 VanDerWaalsContact CE1-CZ3 3.45Å; Y390-W420 WeakPolarHBondContact CE2-O 3.3Å; Y390-W420 AromaticContact CZ-CE3 3.61Å; Y390-W420 AromaticContact CZ-CZ3 3.99Å; Y390-W420 WeakPolarHBondContact OH-CA 3.5Å; Y390-W420 PolarHBondContact OH-O 2.95Å; T400-W420 HydrophobicContact CG2-CH2 4.25Å; T400-W420 HydrophobicContact CG2-CZ3 3.95Å; D403-W420 HydrophobicContact CB-CH2 3.71Å; D403-W420 HydrophobicContact CB-CZ2 4.23Å; D407-W420 WeakPolarHBondContact OD2-CZ2 3.25Å; D407-W420 PolarHBondContact OD2-NE1 3.06Å; R415-W420 HydrophobicContact CB-CZ2 4.34Å; R415-W420 HydrophobicContact CG-CZ2 4.44Å; S416-W420 PolarHBondContact O-N 2.71Å; Y417-W420 PolarHBondContact O-N 3.24Å; A418-W420 VanDerWaalsContact C-N 3.32Å; A418-W420 PolarHBondContact O-N 3.41Å
421	N	80	Confident	63.4	Low	1 Å²	1	64.7 Å²	64.7	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-110	-10.6	-163.5	-68.3	-79.8	0	0	0	115.6	I346 D348 Q382 Y417 A418	I346-N421 PolarHBondContact O-ND2 2.61Å; D348-N421 PolarHBondContact N-OD1 3.17Å; Q382-N421 PolarHBondContact NE2-O 3.03Å; Y417-N421 HydrophobicContact CE1-CB 4.28Å; Y417-N421 WeakPolarHBondContact O-CB 3.45Å; Y417-N421 PolarHBondContact O-N 2.92Å; Y417-N421 PolarHBondContact O-ND2 2.94Å; A418-N421 PolarHBondContact O-N 2.63Å
422	Y	77.5	Confident	62.2	Low	80 Å²	80	70.3 Å²	70.3	31%	0.314	37%	0.373	S	S	.	.			trans	-110.8	127.1	-179.9	-63.2	-50.9	0	0	0	113	K351 Y417 A418 N424 Y425 H687	K351-Y422 VanDerWaalsContact NZ-CE1 3.3Å; K351-Y422 PolarHBondContact NZ-OH 3.34Å; Y417-Y422 HydrophobicContact CE1-CE2 4.43Å; A418-Y422 HydrophobicContact CB-CD2 3.66Å; A418-Y422 HydrophobicContact CB-CE2 4.02Å; A418-Y422 WeakPolarHBondContact O-CB 3.35Å; A418-Y422 PolarHBondContact O-N 3.36Å; Y422-N424 VanDerWaalsContact C-N 3.28Å; Y422-N424 PolarHBondContact O-N 2.82Å; Y422-Y425 PolarHBondContact O-N 3.4Å; Y422-H687 PolarHBondContact OH-NE2 3.26Å
423	P	76.8	Confident	61.4	Low	70 Å²	70	68.5 Å²	68.5	46%	0.455	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-30.8	-178.5	25.2	-34	0	0	0	113.4	F385	F385-P423 HydrophobicContact CD1-CB 4.48Å; F385-P423 HydrophobicContact CD2-CB 3.63Å; F385-P423 VanDerWaalsContact CE2-CA 3.49Å; F385-P423 HydrophobicContact CE2-CB 3.88Å; F385-P423 HydrophobicContact CG-CB 3.95Å; F385-P423 HydrophobicContact CZ-CB 4.41Å
424	N	69.3	Low	60.4	Low	147 Å²	147	64.1 Å²	64.1	79%	0.786	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	26.5	-176.3	-61.6	-5.6	0	0	0	111.8	Y422 S426	Y422-N424 VanDerWaalsContact C-N 3.28Å; Y422-N424 PolarHBondContact O-N 2.82Å; N424-S426 PolarHBondContact O-N 3.18Å; N424-S426 VanDerWaalsContact O-N 3.1Å
425	Y	61.2	Low	59.3	Low	68 Å²	68	63.2 Å²	63.2	27%	0.267	35%	0.346	S	S	.	.			trans	-59.4	117.8	172.8	175.9	-94.8	0	0	0	109	A418 E419 Y422 E427 L430	A418-Y425 HydrophobicContact CB-CD2 3.81Å; A418-Y425 HydrophobicContact CB-CE2 4.09Å; E419-Y425 HydrophobicContact CB-CD1 4.02Å; E419-Y425 HydrophobicContact CB-CD2 4.37Å; E419-Y425 HydrophobicContact CB-CE1 3.99Å; E419-Y425 HydrophobicContact CB-CE2 4.32Å; E419-Y425 HydrophobicContact CB-CG 4.22Å; E419-Y425 HydrophobicContact CG-CD1 3.92Å; E419-Y425 HydrophobicContact CG-CE1 3.93Å; Y422-Y425 PolarHBondContact O-N 3.4Å; Y425-E427 HydrophobicContact CE1-CG 4.09Å; Y425-L430 HydrophobicContact CD2-CD1 3.78Å; Y425-L430 HydrophobicContact CE2-CB 4.41Å; Y425-L430 HydrophobicContact CE2-CD1 3.48Å; Y425-L430 VanDerWaalsContact CE2-CD1 3.48Å
426	S	52.7	Low	58.1	Low	72 Å²	72	68.2 Å²	68.2	50%	0.503	38%	0.375	S	S	.	.			trans	-108.4	132.6	166.4	52.8	0	0	0	0	107.8	N424 V428 G429	N424-S426 PolarHBondContact O-N 3.18Å; N424-S426 VanDerWaalsContact O-N 3.1Å; S426-V428 PolarHBondContact O-N 3.33Å; S426-G429 PolarHBondContact O-N 3.33Å
427	E	49.1	Very low	57.4	Low	168 Å²	168	73.3 Å²	73.3	79%	0.785	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-53.3	-21.3	178	-67.9	178	173.4	0	0	112.6	Y425 G429	Y425-E427 HydrophobicContact CE1-CG 4.09Å; E427-G429 PolarHBondContact O-N 3.16Å
428	V	37.4	Very low	56.7	Low	143 Å²	143	72.7 Å²	72.7	87%	0.867	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-71.8	-10.1	-173.4	-164	0	0	0	0	113.7	S426	S426-V428 PolarHBondContact O-N 3.33Å
429	G	39.4	Very low	55.9	Low	33 Å²	33	74.1 Å²	74.1	34%	0.34	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-110.6	-18.7	-165.9	0	0	0	0	0	118.3	S426 E427 Y681	S426-G429 PolarHBondContact O-N 3.33Å; E427-G429 PolarHBondContact O-N 3.16Å; G429-Y681 WeakPolarHBondContact O-CE1 3.5Å; G429-Y681 PolarHBondContact O-OH 2.8Å
430	L	39	Very low	54.6	Low	78 Å²	78	74.8 Å²	74.8	41%	0.408	42%	0.416	S	S	.	.	S	Bend	trans	-123.2	134	-168.6	-77.5	153.5	0	0	0	110.4	A418 Y425 I432	A418-L430 HydrophobicContact CB-CD1 3.38Å; Y425-L430 HydrophobicContact CD2-CD1 3.78Å; Y425-L430 HydrophobicContact CE2-CB 4.41Å; Y425-L430 HydrophobicContact CE2-CD1 3.48Å; Y425-L430 VanDerWaalsContact CE2-CD1 3.48Å; L430-I432 PolarHBondContact O-N 3.48Å
431	P	39.4	Very low	52.9	Low	96 Å²	96	79.4 Å²	79.4	62%	0.623	44%	0.436	S	S	*	.			trans	-57.7	130.1	172.9	24.2	-29.9	0	0	0	107.9	S433	P431-S433 PolarHBondContact O-N 3.09Å
432	I	44	Very low	51.9	Low	149 Å²	149	79.4 Å²	79.4	76%	0.764	44%	0.436	S	S	*	.			trans	-40.3	128.2	170.9	-61	159.7	0	0	0	107	L430	L430-I432 PolarHBondContact O-N 3.48Å
433	S	47.9	Very low	51.4	Low	28 Å²	28	81.8 Å²	81.8	20%	0.196	45%	0.448	C	S	.	.			trans	-40.5	132.2	178.3	-165.8	0	0	0	0	108.7	P431 V435	P431-S433 PolarHBondContact O-N 3.09Å; S433-V435 PolarHBondContact O-N 2.94Å; S433-V435 WeakPolarHBondContact OG-CG2 3.36Å
434	P	48.8	Very low	51	Low	23 Å²	23	81.6 Å²	81.6	15%	0.149	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-70.8	27.2	-167.8	29.7	-35.5	0	0	0	113.1	L436 F437 Y438 L589	P434-L436 VanDerWaalsContact C-N 3.26Å; P434-L436 PolarHBondContact O-N 3.33Å; P434-F437 HydrophobicContact CB-CD2 4.37Å; P434-F437 WeakPolarHBondContact O-CB 3.24Å; P434-F437 VanDerWaalsContact O-CD2 3.31Å; P434-F437 WeakPolarHBondContact O-CD2 3.45Å; P434-F437 PolarHBondContact O-N 3.23Å; P434-Y438 HydrophobicContact CG-CE2 4.12Å; P434-L589 HydrophobicContact CB-CD1 4.49Å
435	V	48.3	Very low	51.2	Low	9 Å²	9	85.2 Å²	85.2	6%	0.055	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-79.4	-8.2	-167.6	-169.1	0	0	0	0	113.2	P411 Q412 S433 F437 Y438	P411-V435 HydrophobicContact CB-CG1 3.61Å; P411-V435 WeakPolarHBondContact O-CB 3.24Å; P411-V435 WeakPolarHBondContact O-CG1 3.49Å; P411-V435 WeakPolarHBondContact O-CG2 3.41Å; Q412-V435 HydrophobicContact CB-CB 4.28Å; Q412-V435 HydrophobicContact CB-CG1 3.88Å; S433-V435 PolarHBondContact O-N 2.94Å; S433-V435 WeakPolarHBondContact OG-CG2 3.36Å; V435-F437 PolarHBondContact O-N 3.09Å; V435-Y438 HydrophobicContact CB-CD2 3.93Å; V435-Y438 HydrophobicContact CB-CE2 4.47Å; V435-Y438 HydrophobicContact CG1-CD2 3.81Å; V435-Y438 HydrophobicContact CG2-CD2 3.85Å; V435-Y438 HydrophobicContact CG2-CE2 4.01Å; V435-Y438 PolarHBondContact O-N 3.27Å
436	L	49	Very low	52.2	Low	150 Å²	150	84.9 Å²	84.9	79%	0.785	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-55.1	-17.7	159.1	-77.3	169	0	0	0	112.4	P434	P434-L436 VanDerWaalsContact C-N 3.26Å; P434-L436 PolarHBondContact O-N 3.33Å
437	F	53.7	Low	54	Low	125 Å²	125	81.4 Å²	81.4	55%	0.548	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-101.3	-10.5	178.5	-59.1	-68.7	0	0	0	115.7	P434 V435 H583 H585	P434-F437 HydrophobicContact CB-CD2 4.37Å; P434-F437 WeakPolarHBondContact O-CB 3.24Å; P434-F437 VanDerWaalsContact O-CD2 3.31Å; P434-F437 WeakPolarHBondContact O-CD2 3.45Å; P434-F437 PolarHBondContact O-N 3.23Å; V435-F437 PolarHBondContact O-N 3.09Å; F437-H583 PolarHBondContact O-CE1 2.93Å; F437-H583 PolarHBondContact O-NE2 3.27Å; F437-H585 HydrophobicContact CB-CB 4.13Å; F437-H585 HydrophobicContact CD2-CB 4.32Å; F437-H585 HydrophobicContact CG-CB 4.18Å
438	Y	52.8	Low	56.2	Low	23 Å²	23	73.4 Å²	73.4	9%	0.09	39%	0.393	C	S	.	.			trans	-98.5	119.4	179.3	-51	-64.4	0	0	0	110.2	P434 V435 A440 P552 E553 H583 H585 Y586	P434-Y438 HydrophobicContact CG-CE2 4.12Å; V435-Y438 HydrophobicContact CB-CD2 3.93Å; V435-Y438 HydrophobicContact CB-CE2 4.47Å; V435-Y438 HydrophobicContact CG1-CD2 3.81Å; V435-Y438 HydrophobicContact CG2-CD2 3.85Å; V435-Y438 HydrophobicContact CG2-CE2 4.01Å; V435-Y438 PolarHBondContact O-N 3.27Å; Y438-A440 PolarHBondContact O-N 3.24Å; Y438-P552 HydrophobicContact CD1-CB 4.35Å; Y438-E553 HydrophobicContact CD1-CB 4.36Å; Y438-E553 HydrophobicContact CD2-CB 4.22Å; Y438-E553 HydrophobicContact CE1-CB 3.95Å; Y438-E553 HydrophobicContact CE2-CB 3.87Å; Y438-E553 HydrophobicContact CG-CB 4.48Å; Y438-H583 HydrophobicContact CE1-CB 4.17Å; Y438-H585 AromaticContact CE1-CD2 3.35Å; Y438-H585 WeakPolarHBondContact CE1-CD2 3.23Å; Y438-H585 AromaticContact CE1-NE2 3.03Å; Y438-H585 WeakPolarHBondContact CE1-NE2 3.46Å; Y438-H585 AromaticContact CZ-CD2 3.75Å; Y438-H585 AromaticContact CZ-CE1 3.97Å; Y438-H585 AromaticContact CZ-NE2 3.09Å; Y438-H585 PolarHBondContact OH-CE1 2.88Å; Y438-H585 PolarHBondContact OH-NE2 2.81Å; Y438-Y586 PolarHBondContact OH-OH 3.48Å
439	P	48.4	Very low	59	Low	38 Å²	38	66.7 Å²	66.7	25%	0.247	35%	0.352	C	S	.	.			trans	-63.8	137.8	160.7	28.8	-32.5	0	0	0	108.2	K441 A442 E524	P439-K441 WeakPolarHBondContact CB-O 3.34Å; P439-K441 PolarHBondContact O-N 3.21Å; P439-A442 HydrophobicContact CG-CB 4.26Å; P439-E524 WeakPolarHBondContact CG-OE2 3.3Å
440	A	49.4	Very low	61.7	Low	61 Å²	61	65.1 Å²	65.1	50%	0.504	34%	0.336	S	S	.	.	S	Bend	trans	-53.2	-17.4	174.7	0	0	0	0	0	113.1	I78 P411 Y438	I78-A440 HydrophobicContact CD1-CB 4.46Å; P411-A440 HydrophobicContact CG-CB 4.46Å; Y438-A440 PolarHBondContact O-N 3.24Å
441	K	46.2	Very low	64.3	Low	106 Å²	106	61.4 Å²	61.4	46%	0.461	32%	0.316	S	S	.	.	S	Bend	trans	-146.9	119.8	167	-170.9	174	-173.5	174.3	0	109.1	P439 F443	P439-K441 WeakPolarHBondContact CB-O 3.34Å; P439-K441 PolarHBondContact O-N 3.21Å; K441-F443 PolarHBondContact O-N 3.39Å
442	A	59.5	Low	66.9	Low	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.287	C	S	.	.			trans	-73.2	129.8	168.3	0	0	0	0	0	108.8	P439 P444 W548 C549 P552	P439-A442 HydrophobicContact CG-CB 4.26Å; A442-P444 WeakPolarHBondContact O-CD 3.37Å; A442-W548 HydrophobicContact CB-CE3 4.41Å; A442-W548 HydrophobicContact CB-CH2 4.03Å; A442-W548 HydrophobicContact CB-CZ3 3.55Å; A442-C549 HydrophobicContact CB-CB 4.39Å; A442-C549 PolarHBondContact N-O 2.88Å; A442-P552 HydrophobicContact CB-CB 4.48Å
443	F	66.5	Low	69	Low	131 Å²	131	50.8 Å²	50.8	58%	0.575	25%	0.254	S	S	*	.			trans	-82.8	121	-176.2	-67	-81.8	0	0	0	110.2	K441 R445 T446	K441-F443 PolarHBondContact O-N 3.39Å; F443-R445 PolarHBondContact O-N 3.23Å; F443-T446 HydrophobicContact CB-CG2 4.35Å; F443-T446 PolarHBondContact O-N 3.5Å; F443-T446 PolarHBondContact O-OG1 3.38Å
444	P	69.6	Low	71	Confident	65 Å²	65	49.4 Å²	49.4	42%	0.422	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-55	-24.8	-178.2	-27.8	34.7	0	0	0	114.3	A442 T446 G447 F545	A442-P444 WeakPolarHBondContact O-CD 3.37Å; P444-T446 PolarHBondContact O-N 2.81Å; P444-G447 PolarHBondContact O-N 3.21Å; P444-F545 HydrophobicContact CB-CE1 4.38Å
445	R	72.1	Confident	72.6	Confident	223 Å²	223	51.6 Å²	51.6	84%	0.842	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-62.1	-27.4	177.3	-65.7	-176.2	-179.2	-179	0.8	113.6	F443 G447 R475	F443-R445 PolarHBondContact O-N 3.23Å; R445-G447 PolarHBondContact O-N 2.97Å; R445-R475 PolarHBondContact O-NH2 3.35Å
446	T	82.3	Confident	74.3	Confident	61 Å²	61	55.4 Å²	55.4	37%	0.374	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-67.2	-29.8	178.4	60.2	0	0	0	0	111.3	F443 P444 R475	F443-T446 HydrophobicContact CB-CG2 4.35Å; F443-T446 PolarHBondContact O-N 3.5Å; F443-T446 PolarHBondContact O-OG1 3.38Å; P444-T446 PolarHBondContact O-N 2.81Å; T446-R475 VanDerWaalsContact O-CG 3.3Å; T446-R475 WeakPolarHBondContact O-CG 3.23Å
447	G	90.8	Very high	76	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.252	C	S	.	.			trans	64.2	-166.6	-177.2	0	0	0	0	0	113	P444 R445 S473	P444-G447 PolarHBondContact O-N 3.21Å; R445-G447 PolarHBondContact O-N 2.97Å; G447-S473 CarbonylContact C-O 3.44Å; G447-S473 WeakPolarHBondContact CA-O 3.45Å
448	F	94.9	Very high	77.7	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	164.6	-175.3	69.3	-91.2	0	0	0	113.5	V471 S473 L474 R475 A525 F527 V541 F545 F581	F448-V471 HydrophobicContact CE1-CG1 3.81Å; F448-V471 HydrophobicContact CZ-CB 4.46Å; F448-V471 HydrophobicContact CZ-CG1 3.8Å; F448-S473 WeakPolarHBondContact CD1-O 3.48Å; F448-S473 PolarHBondContact N-O 3.02Å; F448-L474 HydrophobicContact CD2-CD1 3.95Å; F448-L474 HydrophobicContact CE1-CB 4.45Å; F448-L474 HydrophobicContact CE2-CB 4.41Å; F448-L474 HydrophobicContact CE2-CD1 3.51Å; F448-L474 HydrophobicContact CZ-CB 4.06Å; F448-L474 HydrophobicContact CZ-CD1 4.03Å; F448-R475 PolarHBondContact O-N 3.42Å; F448-A525 WeakPolarHBondContact CA-O 3.46Å; F448-A525 HydrophobicContact CB-CB 3.5Å; F448-A525 VanDerWaalsContact CB-CB 3.5Å; F448-F527 HydrophobicContact CD2-CB 3.53Å; F448-F527 HydrophobicContact CE2-CB 3.59Å; F448-F527 HydrophobicContact CE2-CD1 4.13Å; F448-F527 HydrophobicContact CE2-CG 4.15Å; F448-V541 HydrophobicContact CE1-CG1 4.24Å; F448-V541 HydrophobicContact CE2-CG1 4.36Å; F448-V541 HydrophobicContact CZ-CG1 3.62Å; F448-F545 HydrophobicContact CB-CD2 4.05Å; F448-F545 HydrophobicContact CB-CE2 3.95Å; F448-F545 HydrophobicContact CD1-CB 4.27Å; F448-F545 HydrophobicContact CD1-CD1 4.24Å; F448-F545 AromaticContact CD1-CD2 3.78Å; F448-F545 HydrophobicContact CD1-CD2 3.78Å; F448-F545 HydrophobicContact CD1-CE2 4.18Å; F448-F545 AromaticContact CD1-CG 3.81Å; F448-F545 HydrophobicContact CD1-CG 3.81Å; F448-F545 HydrophobicContact CE1-CB 4.4Å; F448-F545 HydrophobicContact CE1-CG 4.35Å; F448-F545 HydrophobicContact CG-CD2 4.27Å; F448-F581 HydrophobicContact CB-CE1 3.99Å; F448-F581 AromaticContact CD1-CE1 3.88Å; F448-F581 HydrophobicContact CD1-CE1 3.88Å; F448-F581 HydrophobicContact CD1-CZ 4.15Å; F448-F581 AromaticContact CD2-CE1 3.79Å; F448-F581 HydrophobicContact CD2-CE1 3.79Å; F448-F581 HydrophobicContact CD2-CZ 4.17Å; F448-F581 HydrophobicContact CE1-CE1 4.28Å; F448-F581 HydrophobicContact CE1-CZ 4.08Å; F448-F581 HydrophobicContact CE2-CE1 4.19Å; F448-F581 HydrophobicContact CE2-CZ 4.1Å; F448-F581 AromaticContact CG-CE1 3.63Å; F448-F581 HydrophobicContact CG-CE1 3.63Å; F448-F581 HydrophobicContact CG-CZ 4.2Å; F448-F581 HydrophobicContact CZ-CE1 4.43Å; F448-F581 HydrophobicContact CZ-CZ 4.07Å
449	T	96.8	Very high	79.4	Confident	1 Å²	1	52 Å²	52	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.5	173.1	-62.5	0	0	0	0	108.3	R476 V478 I521 T523 A525 I526 F527	T449-R476 CarbonylContact C-O 3.54Å; T449-R476 WeakPolarHBondContact CA-O 3.43Å; T449-R476 HydrophobicContact CG2-CB 4.19Å; T449-V478 HydrophobicContact CG2-CB 4.47Å; T449-V478 HydrophobicContact CG2-CG2 3.8Å; T449-I521 HydrophobicContact CG2-CG1 4.36Å; T449-T523 VanDerWaalsContact CB-OG1 3.25Å; T449-T523 WeakPolarHBondContact CB-OG1 3.36Å; T449-T523 PolarHBondContact N-OG1 3.15Å; T449-T523 PolarHBondContact OG1-OG1 3.49Å; T449-A525 PolarHBondContact N-O 2.97Å; T449-A525 VanDerWaalsContact N-O 3.12Å; T449-I526 WeakPolarHBondContact O-CA 3.36Å; T449-F527 PolarHBondContact O-N 3.12Å
450	A	96	Very high	81.3	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	125	169.8	0	0	0	0	0	109.5	I452 I468 L474 R476 I477 V478 F527	A450-I452 HydrophobicContact CB-CG1 4.43Å; A450-I468 HydrophobicContact CB-CD1 3.85Å; A450-L474 HydrophobicContact CB-CD1 3.66Å; A450-R476 PolarHBondContact N-O 3.05Å; A450-I477 HydrophobicContact CB-CG1 4.33Å; A450-V478 PolarHBondContact O-N 2.88Å; A450-F527 CarbonylContact C-O 3.56Å; A450-F527 WeakPolarHBondContact CA-O 3.37Å
451	L	94.8	Very high	83.3	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	103.5	176.1	-178.7	65.6	0	0	0	108.3	V478 V480 I521 I526 F527 S528 I529 F582	L451-V478 CarbonylContact C-O 3.45Å; L451-V478 WeakPolarHBondContact CA-O 2.94Å; L451-V478 HydrophobicContact CD1-CB 4.2Å; L451-V478 HydrophobicContact CD1-CG1 4.05Å; L451-V480 HydrophobicContact CD1-CG2 3.59Å; L451-I521 HydrophobicContact CD1-CD1 4.16Å; L451-I526 HydrophobicContact CB-CG2 3.61Å; L451-I526 HydrophobicContact CD2-CG2 4.04Å; L451-I526 HydrophobicContact CG-CG2 4.49Å; L451-F527 PolarHBondContact N-O 3.34Å; L451-S528 WeakPolarHBondContact O-CA 3.44Å; L451-I529 PolarHBondContact O-N 2.7Å; L451-F582 HydrophobicContact CD2-CZ 4.49Å
452	I	93	Very high	85.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	121.1	-171.9	-48.2	-172.4	0	0	0	109.9	A450 L461 L464 L465 I477 V478 V479 V480 I529	A450-I452 HydrophobicContact CB-CG1 4.43Å; I452-L461 HydrophobicContact CG2-CD1 3.67Å; I452-L464 HydrophobicContact CD1-CD2 4.19Å; I452-L464 HydrophobicContact CG2-CD2 3.97Å; I452-L465 HydrophobicContact CD1-CD2 3.75Å; I452-I477 HydrophobicContact CD1-CG2 3.66Å; I452-I477 HydrophobicContact CG1-CG2 4.11Å; I452-V478 PolarHBondContact N-O 3.44Å; I452-V479 HydrophobicContact CB-CG2 4.22Å; I452-V479 CarbonylContact O-C 3.49Å; I452-V479 WeakPolarHBondContact O-CA 3Å; I452-V480 PolarHBondContact O-N 3.42Å; I452-I529 VanDerWaalsContact CA-O 3.28Å; I452-I529 WeakPolarHBondContact CA-O 3.35Å; I452-I529 HydrophobicContact CB-CG2 4.31Å; I452-I529 HydrophobicContact CD1-CG2 4.24Å; I452-I529 HydrophobicContact CG1-CG2 3.67Å; I452-I529 HydrophobicContact CG2-CG2 4.32Å
453	R	89	Confident	87	Confident	22 Å²	22	50.8 Å²	50.8	8%	0.083	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	121.1	169.2	-172.8	-172.5	67.8	84.8	14.6	109.4	T482 R514 I529 E530 E531 D532 E609	R453-T482 HydrophobicContact CG-CG2 3.99Å; R453-R514 HydrophobicContact CB-CG 4.48Å; R453-I529 PolarHBondContact N-O 3.48Å; R453-E530 IonicContact CZ-OE1 3.68Å; R453-E530 IonicContact NE-OE1 3.75Å; R453-E530 PolarHBondContact NE-OE1 3.23Å; R453-E530 IonicContact NH2-OE1 2.67Å; R453-E530 PolarHBondContact NH2-OE1 3.26Å; R453-E530 IonicContact NH2-OE2 3.7Å; R453-E531 PolarHBondContact O-N 2.99Å; R453-D532 IonicContact NH2-OD1 3.85Å; R453-E609 VanDerWaalsContact CD-OE1 3.28Å; R453-E609 WeakPolarHBondContact CD-OE1 3.4Å; R453-E609 IonicContact NE-OE1 3.39Å
454	A	88.8	Confident	88.1	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	135	177.4	0	0	0	0	0	111.4	L461 V479 V480 W481 T482 E531	A454-L461 HydrophobicContact CB-CD1 4.39Å; A454-L461 HydrophobicContact CB-CD2 3.77Å; A454-V479 HydrophobicContact CB-CG1 3.52Å; A454-V480 PolarHBondContact N-O 2.91Å; A454-W481 HydrophobicContact CB-CE3 3.73Å; A454-W481 HydrophobicContact CB-CZ3 3.97Å; A454-T482 PolarHBondContact O-N 2.98Å; A454-T482 PolarHBondContact O-OG1 3.22Å; A454-E531 WeakPolarHBondContact CA-OE2 3.49Å
455	H	83.2	Confident	89.3	Confident	68 Å²	68	41.5 Å²	41.5	32%	0.315	20%	0.202	S	C	.	.	S	Bend	trans	-130.2	-69.1	-175.4	-170.1	-86.1	0	0	0	111.7	N483 E531	H455-N483 VanDerWaalsContact O-CB 3.25Å; H455-N483 WeakPolarHBondContact O-CB 3.34Å; H455-N483 PolarHBondContact O-ND2 3.29Å; H455-E531 PolarHBondContact N-OE1 3.44Å; H455-E531 VanDerWaalsContact N-OE1 3.13Å; H455-E531 PolarHBondContact N-OE2 3.37Å
456	N	82.5	Confident	90.2	Very high	89 Å²	89	37 Å²	37	48%	0.476	19%	0.189	S	C	.	.	S	Bend	trans	-145.5	0.8	-175.3	61.5	-43.9	0	0	0	115	F458 E531	N456-F458 PolarHBondContact O-N 3.24Å; N456-E531 PolarHBondContact N-OE1 3.14Å
457	H	85.8	Confident	90.6	Very high	77 Å²	77	35.8 Å²	35.8	36%	0.356	18%	0.183	S	C	.	.			trans	-102.9	61.3	-178.5	-53.2	91.4	0	0	0	111.9	T459 L460 L461 E531	H457-T459 VanDerWaalsContact C-N 3.27Å; H457-T459 PolarHBondContact O-N 2.84Å; H457-L460 HydrophobicContact CB-CB 4.05Å; H457-L460 HydrophobicContact CB-CD1 3.85Å; H457-L460 HydrophobicContact CB-CG 4.05Å; H457-L460 PolarHBondContact O-N 3.35Å; H457-L461 PolarHBondContact O-N 3.03Å; H457-E531 HydrophobicContact CB-CG 4.19Å; H457-E531 IonicContact CG-OE1 2.9Å; H457-E531 PolarHBondContact N-OE1 3.49Å; H457-E531 PolarHBondContact N-OE2 2.86Å; H457-E531 IonicContact ND1-OE1 3.28Å; H457-E531 PolarHBondContact ND1-OE1 3.37Å
458	F	88.8	Confident	90.7	Very high	44 Å²	44	36 Å²	36	19%	0.193	18%	0.184	C	C	.	.	H	α-helix	trans	-57.2	-36.3	-174.2	-173.2	-109.7	0	0	0	113.7	N456 L461 C462 P489 L493 W494	N456-F458 PolarHBondContact O-N 3.24Å; F458-L461 HydrophobicContact CD2-CD2 4.11Å; F458-L461 HydrophobicContact CE2-CD2 4.45Å; F458-L461 WeakPolarHBondContact O-CB 3.49Å; F458-L461 PolarHBondContact O-N 2.97Å; F458-C462 VanDerWaalsContact CE1-SG 3.55Å; F458-C462 VanDerWaalsContact CZ-SG 3.57Å; F458-C462 PolarHBondContact O-N 3.35Å; F458-C462 PolarHBondContact O-SG 3.42Å; F458-C462 VanDerWaalsContact O-SG 3.33Å; F458-P489 HydrophobicContact CD2-CB 4.23Å; F458-P489 HydrophobicContact CD2-CG 3.62Å; F458-P489 HydrophobicContact CE2-CB 3.89Å; F458-P489 HydrophobicContact CE2-CG 3.74Å; F458-P489 HydrophobicContact CG-CG 4.13Å; F458-P489 HydrophobicContact CZ-CB 4.04Å; F458-P489 HydrophobicContact CZ-CG 4.34Å; F458-L493 HydrophobicContact CE1-CB 3.83Å; F458-L493 HydrophobicContact CZ-CB 3.95Å; F458-W494 AromaticContact CE2-CD2 3.93Å; F458-W494 HydrophobicContact CE2-CD2 3.93Å; F458-W494 AromaticContact CE2-CE2 3.75Å; F458-W494 HydrophobicContact CE2-CE3 4.21Å; F458-W494 HydrophobicContact CE2-CG 4.47Å; F458-W494 HydrophobicContact CE2-CH2 4.21Å; F458-W494 AromaticContact CE2-CZ2 3.91Å; F458-W494 HydrophobicContact CE2-CZ2 3.91Å; F458-W494 HydrophobicContact CE2-CZ3 4.35Å; F458-W494 HydrophobicContact CZ-CD2 4.2Å; F458-W494 HydrophobicContact CZ-CG 4.28Å
459	T	88.9	Confident	90.6	Very high	107 Å²	107	38 Å²	38	66%	0.656	19%	0.193	S	C	*	.	H	α-helix	trans	-63.8	-43.5	176.4	-51	0	0	0	0	112.1	H457 C462 M463	H457-T459 VanDerWaalsContact C-N 3.27Å; H457-T459 PolarHBondContact O-N 2.84Å; T459-C462 PolarHBondContact O-N 3.08Å; T459-M463 WeakPolarHBondContact O-CG 3.47Å; T459-M463 PolarHBondContact O-N 3Å; T459-M463 VanDerWaalsContact O-N 3.14Å
460	L	87.9	Confident	90.4	Very high	71 Å²	71	41.4 Å²	41.4	37%	0.372	22%	0.217	S	C	.	.	H	α-helix	trans	-65.5	-43.1	176.5	-60.5	-176.6	0	0	0	110.5	H457 C462 M463 L464 E531 D532	H457-L460 HydrophobicContact CB-CB 4.05Å; H457-L460 HydrophobicContact CB-CD1 3.85Å; H457-L460 HydrophobicContact CB-CG 4.05Å; H457-L460 PolarHBondContact O-N 3.35Å; L460-C462 VanDerWaalsContact C-N 3.32Å; L460-C462 PolarHBondContact O-N 2.78Å; L460-M463 HydrophobicContact CD2-CE 3.37Å; L460-M463 PolarHBondContact O-N 3.17Å; L460-M463 VanDerWaalsContact O-N 3.12Å; L460-L464 PolarHBondContact O-N 3.39Å; L460-E531 VanDerWaalsContact CB-O 3.29Å; L460-E531 WeakPolarHBondContact CB-O 3.48Å; L460-D532 HydrophobicContact CD1-CB 4.28Å
461	L	91.6	Very high	90.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-54.8	-46.9	173.5	178.6	63.6	0	0	0	111.6	I452 A454 H457 F458 M463 L464 L465 V479 W481 W494 E531	I452-L461 HydrophobicContact CG2-CD1 3.67Å; A454-L461 HydrophobicContact CB-CD1 4.39Å; A454-L461 HydrophobicContact CB-CD2 3.77Å; H457-L461 PolarHBondContact O-N 3.03Å; F458-L461 HydrophobicContact CD2-CD2 4.11Å; F458-L461 HydrophobicContact CE2-CD2 4.45Å; F458-L461 WeakPolarHBondContact O-CB 3.49Å; F458-L461 PolarHBondContact O-N 2.97Å; L461-M463 VanDerWaalsContact C-N 3.33Å; L461-M463 PolarHBondContact O-N 3.26Å; L461-L464 PolarHBondContact O-N 2.95Å; L461-L465 HydrophobicContact CD1-CD1 4.38Å; L461-L465 HydrophobicContact CD1-CG 4.27Å; L461-L465 HydrophobicContact CG-CD1 4.11Å; L461-L465 HydrophobicContact CG-CG 4.42Å; L461-L465 WeakPolarHBondContact O-CB 3.19Å; L461-L465 VanDerWaalsContact O-CG 3.23Å; L461-L465 WeakPolarHBondContact O-CG 3.19Å; L461-L465 PolarHBondContact O-N 3.19Å; L461-V479 HydrophobicContact CD1-CG2 4.43Å; L461-V479 HydrophobicContact CD2-CG1 4.23Å; L461-W481 HydrophobicContact CD2-CZ3 4.39Å; L461-W494 HydrophobicContact CD2-CH2 3.81Å; L461-W494 HydrophobicContact CD2-CZ3 3.83Å; L461-E531 HydrophobicContact CB-CB 4.09Å; L461-E531 HydrophobicContact CD1-CB 4.24Å
462	C	92.6	Very high	90.1	Very high	21 Å²	21	50.4 Å²	50.4	14%	0.142	26%	0.257	C	S	.	.	H	α-helix	trans	-62.1	-38.1	178	-75.9	0	0	0	0	112.9	F458 T459 L460 K466	F458-C462 VanDerWaalsContact CE1-SG 3.55Å; F458-C462 VanDerWaalsContact CZ-SG 3.57Å; F458-C462 PolarHBondContact O-N 3.35Å; F458-C462 PolarHBondContact O-SG 3.42Å; F458-C462 VanDerWaalsContact O-SG 3.33Å; T459-C462 PolarHBondContact O-N 3.08Å; L460-C462 VanDerWaalsContact C-N 3.32Å; L460-C462 PolarHBondContact O-N 2.78Å; C462-K466 WeakPolarHBondContact O-CG 3.17Å; C462-K466 PolarHBondContact O-N 2.78Å
463	M	90.2	Very high	90.2	Very high	87 Å²	87	51 Å²	51	43%	0.429	26%	0.26	S	S	.	.	H	α-helix	trans	-67.4	-42.6	174.5	-67.7	-170.4	-65	0	0	111.6	T459 L460 L461 L465 K466 S467 L535	T459-M463 WeakPolarHBondContact O-CG 3.47Å; T459-M463 PolarHBondContact O-N 3Å; T459-M463 VanDerWaalsContact O-N 3.14Å; L460-M463 HydrophobicContact CD2-CE 3.37Å; L460-M463 PolarHBondContact O-N 3.17Å; L460-M463 VanDerWaalsContact O-N 3.12Å; L461-M463 VanDerWaalsContact C-N 3.33Å; L461-M463 PolarHBondContact O-N 3.26Å; M463-L465 PolarHBondContact O-N 3.35Å; M463-K466 PolarHBondContact O-N 3.34Å; M463-S467 PolarHBondContact O-N 3.11Å; M463-L535 HydrophobicContact CB-CD1 4.48Å; M463-L535 HydrophobicContact CB-CD2 4.5Å
464	L	91.2	Very high	90.5	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-60.6	-45.7	176.5	179.6	63.2	0	0	0	111.9	I452 L460 L461 K466 S467 I468 I529 L535	I452-L464 HydrophobicContact CD1-CD2 4.19Å; I452-L464 HydrophobicContact CG2-CD2 3.97Å; L460-L464 PolarHBondContact O-N 3.39Å; L461-L464 PolarHBondContact O-N 2.95Å; L464-K466 VanDerWaalsContact C-N 3.32Å; L464-K466 PolarHBondContact O-N 3.16Å; L464-S467 PolarHBondContact O-N 3.42Å; L464-I468 WeakPolarHBondContact O-CB 3.27Å; L464-I468 WeakPolarHBondContact O-CG2 3.25Å; L464-I468 PolarHBondContact O-N 2.92Å; L464-I529 HydrophobicContact CD1-CD1 3.81Å; L464-I529 HydrophobicContact CD2-CD1 4.34Å; L464-I529 HydrophobicContact CD2-CG1 4.2Å; L464-I529 HydrophobicContact CD2-CG2 4.09Å; L464-L535 VanDerWaalsContact CA-CD2 3.47Å; L464-L535 HydrophobicContact CB-CD2 4.12Å; L464-L535 HydrophobicContact CD1-CD2 4.05Å
465	L	94	Very high	90.8	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60	-41.3	177.3	-70.7	173.8	0	0	0	112.2	I452 L461 M463 Q469 I477 V479 W494 P495 L497 L501	I452-L465 HydrophobicContact CD1-CD2 3.75Å; L461-L465 HydrophobicContact CD1-CD1 4.38Å; L461-L465 HydrophobicContact CD1-CG 4.27Å; L461-L465 HydrophobicContact CG-CD1 4.11Å; L461-L465 HydrophobicContact CG-CG 4.42Å; L461-L465 WeakPolarHBondContact O-CB 3.19Å; L461-L465 VanDerWaalsContact O-CG 3.23Å; L461-L465 WeakPolarHBondContact O-CG 3.19Å; L461-L465 PolarHBondContact O-N 3.19Å; M463-L465 PolarHBondContact O-N 3.35Å; L465-Q469 PolarHBondContact O-N 3.01Å; L465-I477 HydrophobicContact CD2-CD1 3.91Å; L465-I477 HydrophobicContact CD2-CG2 3.68Å; L465-V479 HydrophobicContact CD2-CG2 4.27Å; L465-W494 HydrophobicContact CD1-CE3 3.87Å; L465-W494 HydrophobicContact CD1-CZ3 3.9Å; L465-P495 HydrophobicContact CB-CG 4.07Å; L465-P495 HydrophobicContact CD1-CG 4Å; L465-L497 HydrophobicContact CB-CD1 4.05Å; L465-L497 HydrophobicContact CB-CD2 4.14Å; L465-L497 HydrophobicContact CD1-CD1 4.4Å; L465-L497 HydrophobicContact CD2-CD1 4.12Å; L465-L497 HydrophobicContact CG-CD1 4.42Å; L465-L501 HydrophobicContact CD2-CD1 4.21Å
466	K	91.7	Very high	91.4	Very high	129 Å²	129	55.7 Å²	55.7	56%	0.561	28%	0.276	S	S	*	.	H	α-helix	trans	-68.7	-33.4	177.6	-75.4	179	-179.4	-178.6	0	113	C462 M463 L464 Q469 P495	C462-K466 WeakPolarHBondContact O-CG 3.17Å; C462-K466 PolarHBondContact O-N 2.78Å; M463-K466 PolarHBondContact O-N 3.34Å; L464-K466 VanDerWaalsContact C-N 3.32Å; L464-K466 PolarHBondContact O-N 3.16Å; K466-Q469 VanDerWaalsContact O-CG 3.23Å; K466-Q469 WeakPolarHBondContact O-CG 3.32Å; K466-Q469 PolarHBondContact O-NE2 3.32Å; K466-P495 HydrophobicContact CG-CB 4.17Å
467	S	90.3	Very high	92.1	Very high	35 Å²	35	51.4 Å²	51.4	25%	0.245	25%	0.253	C	S	.	.	H	α-helix	trans	-75.2	-49.3	176.7	-178.2	0	0	0	0	111.6	M463 L464 Q469 S470	M463-S467 PolarHBondContact O-N 3.11Å; L464-S467 PolarHBondContact O-N 3.42Å; S467-Q469 VanDerWaalsContact C-N 3.29Å; S467-Q469 PolarHBondContact O-N 3.49Å; S467-S470 PolarHBondContact O-N 3.04Å; S467-S470 PolarHBondContact O-OG 2.83Å
468	I	92	Very high	92.5	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.015	24%	0.236	C	C	.	.	H	α-helix	trans	-70.3	-25.4	-171.5	-154.2	171.3	0	0	0	113.2	A450 L464 S470 V471 L474 I477 F527	A450-I468 HydrophobicContact CB-CD1 3.85Å; L464-I468 WeakPolarHBondContact O-CB 3.27Å; L464-I468 WeakPolarHBondContact O-CG2 3.25Å; L464-I468 PolarHBondContact O-N 2.92Å; I468-S470 PolarHBondContact O-N 2.79Å; I468-S470 VanDerWaalsContact O-N 3.15Å; I468-V471 HydrophobicContact CG1-CG2 4.28Å; I468-V471 WeakPolarHBondContact O-CB 3.22Å; I468-V471 WeakPolarHBondContact O-CG2 3.43Å; I468-V471 PolarHBondContact O-N 3.38Å; I468-L474 HydrophobicContact CG1-CD2 4.25Å; I468-L474 HydrophobicContact CG2-CD2 4.06Å; I468-L474 VanDerWaalsContact O-CD2 3.26Å; I468-L474 WeakPolarHBondContact O-CD2 3.18Å; I468-I477 HydrophobicContact CG2-CD1 3.82Å; I468-F527 HydrophobicContact CD1-CD1 3.68Å; I468-F527 HydrophobicContact CD1-CE1 3.66Å
469	Q	93.4	Very high	92.8	Very high	43 Å²	43	45.7 Å²	45.7	20%	0.201	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.4	178.3	65.2	167.3	-19.7	0	0	114.3	L465 K466 S467 V471 L497 I498 V499	L465-Q469 PolarHBondContact O-N 3.01Å; K466-Q469 VanDerWaalsContact O-CG 3.23Å; K466-Q469 WeakPolarHBondContact O-CG 3.32Å; K466-Q469 PolarHBondContact O-NE2 3.32Å; S467-Q469 VanDerWaalsContact C-N 3.29Å; S467-Q469 PolarHBondContact O-N 3.49Å; Q469-V471 VanDerWaalsContact C-N 3.27Å; Q469-L497 HydrophobicContact CB-CD2 4.45Å; Q469-L497 HydrophobicContact CG-CD2 4.35Å; Q469-I498 VanDerWaalsContact OE1-N 3.1Å; Q469-V499 HydrophobicContact CB-CG2 4.05Å
470	S	92.4	Very high	93	Very high	73 Å²	73	40.6 Å²	40.6	51%	0.51	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-6.6	175.6	51.6	0	0	0	0	113.5	S467 I468 K472 V538	S467-S470 PolarHBondContact O-N 3.04Å; S467-S470 PolarHBondContact O-OG 2.83Å; I468-S470 PolarHBondContact O-N 2.79Å; I468-S470 VanDerWaalsContact O-N 3.15Å; S470-K472 PolarHBondContact O-N 3.34Å; S470-V538 WeakPolarHBondContact OG-CG2 3.29Å
471	V	93.8	Very high	93.1	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.024	18%	0.18	C	C	.	.			trans	-71.5	119.5	175.6	-177	0	0	0	0	110.1	F448 I468 Q469 S473 L474 V538 V541 E542	F448-V471 HydrophobicContact CE1-CG1 3.81Å; F448-V471 HydrophobicContact CZ-CB 4.46Å; F448-V471 HydrophobicContact CZ-CG1 3.8Å; I468-V471 HydrophobicContact CG1-CG2 4.28Å; I468-V471 WeakPolarHBondContact O-CB 3.22Å; I468-V471 WeakPolarHBondContact O-CG2 3.43Å; I468-V471 PolarHBondContact O-N 3.38Å; Q469-V471 VanDerWaalsContact C-N 3.27Å; V471-S473 VanDerWaalsContact C-N 3.31Å; V471-S473 PolarHBondContact O-N 2.87Å; V471-L474 HydrophobicContact CB-CB 4.15Å; V471-L474 VanDerWaalsContact O-CB 3.32Å; V471-L474 WeakPolarHBondContact O-CB 3.41Å; V471-L474 PolarHBondContact O-N 2.94Å; V471-L474 VanDerWaalsContact O-N 3.11Å; V471-V538 HydrophobicContact CG2-CB 4.48Å; V471-V538 HydrophobicContact CG2-CG1 4.11Å; V471-V538 HydrophobicContact CG2-CG2 4.42Å; V471-V541 HydrophobicContact CG1-CB 4.41Å; V471-V541 HydrophobicContact CG1-CG1 4.07Å; V471-V541 HydrophobicContact CG2-CB 4.07Å; V471-V541 HydrophobicContact CG2-CG1 4.15Å; V471-V541 HydrophobicContact CG2-CG2 4.4Å; V471-E542 WeakPolarHBondContact CG1-OE2 3.09Å
472	K	92.1	Very high	92.7	Very high	185 Å²	185	38.7 Å²	38.7	80%	0.804	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-36.9	-173.5	-175.4	-179	177.7	-177.4	0	113	S470 L474	S470-K472 PolarHBondContact O-N 3.34Å; K472-L474 VanDerWaalsContact C-N 3.3Å
473	S	93.5	Very high	92.2	Very high	11 Å²	11	38.5 Å²	38.5	8%	0.077	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-3.9	179.6	-73.2	0	0	0	0	114.3	G447 F448 V471 R475 E542	G447-S473 CarbonylContact C-O 3.44Å; G447-S473 WeakPolarHBondContact CA-O 3.45Å; F448-S473 WeakPolarHBondContact CD1-O 3.48Å; F448-S473 PolarHBondContact N-O 3.02Å; V471-S473 VanDerWaalsContact C-N 3.31Å; V471-S473 PolarHBondContact O-N 2.87Å; S473-R475 PolarHBondContact O-N 2.94Å; S473-E542 VanDerWaalsContact CB-OE1 3.32Å; S473-E542 WeakPolarHBondContact CB-OE1 3.38Å; S473-E542 WeakPolarHBondContact CB-OE2 3.39Å; S473-E542 PolarHBondContact N-OE2 2.79Å; S473-E542 PolarHBondContact OG-OE1 3.37Å; S473-E542 PolarHBondContact OG-OE2 2.87Å
474	L	95.4	Very high	91.6	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	125.7	177	-178	67.2	0	0	0	110.8	F448 A450 I468 V471 K472 R476 I477 V499	F448-L474 HydrophobicContact CD2-CD1 3.95Å; F448-L474 HydrophobicContact CE1-CB 4.45Å; F448-L474 HydrophobicContact CE2-CB 4.41Å; F448-L474 HydrophobicContact CE2-CD1 3.51Å; F448-L474 HydrophobicContact CZ-CB 4.06Å; F448-L474 HydrophobicContact CZ-CD1 4.03Å; A450-L474 HydrophobicContact CB-CD1 3.66Å; I468-L474 HydrophobicContact CG1-CD2 4.25Å; I468-L474 HydrophobicContact CG2-CD2 4.06Å; I468-L474 VanDerWaalsContact O-CD2 3.26Å; I468-L474 WeakPolarHBondContact O-CD2 3.18Å; V471-L474 HydrophobicContact CB-CB 4.15Å; V471-L474 VanDerWaalsContact O-CB 3.32Å; V471-L474 WeakPolarHBondContact O-CB 3.41Å; V471-L474 PolarHBondContact O-N 2.94Å; V471-L474 VanDerWaalsContact O-N 3.11Å; K472-L474 VanDerWaalsContact C-N 3.3Å; L474-R476 WeakPolarHBondContact CD1-O 3.42Å; L474-I477 HydrophobicContact CD1-CG1 4.42Å; L474-I477 HydrophobicContact CD2-CD1 4.05Å; L474-I477 HydrophobicContact CD2-CG1 3.88Å; L474-V499 HydrophobicContact CD2-CG1 4.39Å; L474-V499 HydrophobicContact CD2-CG2 3.92Å; L474-V499 HydrophobicContact CG-CG1 4.42Å
475	R	95.1	Very high	91.2	Very high	125 Å²	125	47.6 Å²	47.6	47%	0.472	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-30.6	178.9	-60.9	-51.4	-168.9	-178	0.1	113.9	R445 T446 F448 S473 T523	R445-R475 PolarHBondContact O-NH2 3.35Å; T446-R475 VanDerWaalsContact O-CG 3.3Å; T446-R475 WeakPolarHBondContact O-CG 3.23Å; F448-R475 PolarHBondContact O-N 3.42Å; S473-R475 PolarHBondContact O-N 2.94Å; R475-T523 HydrophobicContact CB-CG2 4.1Å; R475-T523 HydrophobicContact CG-CG2 4.2Å
476	R	95.6	Very high	90.7	Very high	58 Å²	58	54.8 Å²	54.8	22%	0.219	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	150.3	-173.6	-168.2	177.5	-171.7	83	-4	111	T449 A450 L474 P500 S502 Q520	T449-R476 CarbonylContact C-O 3.54Å; T449-R476 WeakPolarHBondContact CA-O 3.43Å; T449-R476 HydrophobicContact CG2-CB 4.19Å; A450-R476 PolarHBondContact N-O 3.05Å; L474-R476 WeakPolarHBondContact CD1-O 3.42Å; R476-P500 HydrophobicContact CG-CB 4.49Å; R476-P500 WeakPolarHBondContact CG-O 3.46Å; R476-S502 PolarHBondContact NH2-OG 3.37Å; R476-Q520 WeakPolarHBondContact CD-O 3.32Å; R476-Q520 PolarHBondContact NE-O 3.3Å
477	I	97	Very high	90.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.1	170.8	-55.6	173.1	0	0	0	109.3	A450 I452 L465 I468 L474 V479 L497 V499 P500 L501 S502	A450-I477 HydrophobicContact CB-CG1 4.33Å; I452-I477 HydrophobicContact CD1-CG2 3.66Å; I452-I477 HydrophobicContact CG1-CG2 4.11Å; L465-I477 HydrophobicContact CD2-CD1 3.91Å; L465-I477 HydrophobicContact CD2-CG2 3.68Å; I468-I477 HydrophobicContact CG2-CD1 3.82Å; L474-I477 HydrophobicContact CD1-CG1 4.42Å; L474-I477 HydrophobicContact CD2-CD1 4.05Å; L474-I477 HydrophobicContact CD2-CG1 3.88Å; I477-V479 HydrophobicContact CG2-CG2 4.1Å; I477-L497 HydrophobicContact CD1-CD1 4.02Å; I477-V499 HydrophobicContact CD1-CG2 3.5Å; I477-V499 VanDerWaalsContact CD1-CG2 3.5Å; I477-V499 HydrophobicContact CG1-CG2 3.83Å; I477-P500 PolarHBondContact N-O 2.95Å; I477-L501 HydrophobicContact CB-CD1 3.94Å; I477-L501 HydrophobicContact CG2-CD1 3.71Å; I477-L501 CarbonylContact O-C 3.56Å; I477-L501 WeakPolarHBondContact O-CA 2.85Å; I477-S502 PolarHBondContact O-N 3.15Å
478	V	96	Very high	90.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	113.2	171.6	-179.9	0	0	0	0	107.8	T449 A450 L451 I452 S502 V504 Q520 I521	T449-V478 HydrophobicContact CG2-CB 4.47Å; T449-V478 HydrophobicContact CG2-CG2 3.8Å; A450-V478 PolarHBondContact O-N 2.88Å; L451-V478 CarbonylContact C-O 3.45Å; L451-V478 WeakPolarHBondContact CA-O 2.94Å; L451-V478 HydrophobicContact CD1-CB 4.2Å; L451-V478 HydrophobicContact CD1-CG1 4.05Å; I452-V478 PolarHBondContact N-O 3.44Å; V478-S502 CarbonylContact C-O 3.51Å; V478-S502 WeakPolarHBondContact CA-O 2.81Å; V478-V504 HydrophobicContact CG1-CG1 4.39Å; V478-V504 HydrophobicContact CG1-CG2 3.85Å; V478-Q520 HydrophobicContact CG2-CB 3.91Å; V478-I521 HydrophobicContact CG2-CG1 4.16Å
479	V	94.8	Very high	90.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	117.9	174.2	178.1	0	0	0	0	108.4	I452 A454 L461 L465 I477 W494 L501 S502 I503 V504	I452-V479 HydrophobicContact CB-CG2 4.22Å; I452-V479 CarbonylContact O-C 3.49Å; I452-V479 WeakPolarHBondContact O-CA 3Å; A454-V479 HydrophobicContact CB-CG1 3.52Å; L461-V479 HydrophobicContact CD1-CG2 4.43Å; L461-V479 HydrophobicContact CD2-CG1 4.23Å; L465-V479 HydrophobicContact CD2-CG2 4.27Å; I477-V479 HydrophobicContact CG2-CG2 4.1Å; V479-W494 HydrophobicContact CB-CH2 4.44Å; V479-W494 HydrophobicContact CG1-CH2 4.04Å; V479-W494 HydrophobicContact CG1-CZ3 4.41Å; V479-W494 HydrophobicContact CG2-CZ3 4.17Å; V479-L501 HydrophobicContact CG2-CD1 3.69Å; V479-S502 PolarHBondContact N-O 3.04Å; V479-I503 WeakPolarHBondContact O-CA 3.46Å; V479-V504 PolarHBondContact O-N 3.07Å
480	V	92.2	Very high	90	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	108.1	172.8	-171.2	0	0	0	0	108.3	L451 I452 A454 T482 V504 Y518	L451-V480 HydrophobicContact CD1-CG2 3.59Å; I452-V480 PolarHBondContact O-N 3.42Å; A454-V480 PolarHBondContact N-O 2.91Å; V480-T482 HydrophobicContact CG1-CG2 4.13Å; V480-T482 PolarHBondContact O-N 3.38Å; V480-V504 WeakPolarHBondContact CA-O 3.46Å; V480-V504 HydrophobicContact CB-CG2 4.21Å; V480-V504 HydrophobicContact CG1-CG2 4.32Å; V480-V504 HydrophobicContact CG2-CG2 3.77Å; V480-Y518 HydrophobicContact CG1-CE2 4.41Å; V480-Y518 HydrophobicContact CG2-CD2 4.43Å; V480-Y518 HydrophobicContact CG2-CE2 3.78Å
481	W	89.3	Confident	89.7	Confident	13 Å²	13	57.2 Å²	57.2	5%	0.049	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	112	175.5	-165.3	-94.8	0	0	0	109.7	A454 L461 N483 Y486 V488 P489 V504 R505	A454-W481 HydrophobicContact CB-CE3 3.73Å; A454-W481 HydrophobicContact CB-CZ3 3.97Å; L461-W481 HydrophobicContact CD2-CZ3 4.39Å; W481-N483 HydrophobicContact CZ2-CB 4.35Å; W481-Y486 PolarHBondContact NE1-O 3.39Å; W481-V488 HydrophobicContact CB-CG2 3.7Å; W481-V488 HydrophobicContact CD2-CG2 3.97Å; W481-V488 HydrophobicContact CG-CG2 3.46Å; W481-V488 VanDerWaalsContact CG-CG2 3.46Å; W481-P489 HydrophobicContact CH2-CG 3.7Å; W481-P489 HydrophobicContact CZ2-CG 4.24Å; W481-P489 HydrophobicContact CZ3-CG 4.14Å; W481-V504 PolarHBondContact N-O 3.47Å; W481-R505 HydrophobicContact CB-CG 4.43Å
482	T	84.5	Confident	89.5	Confident	18 Å²	18	62.3 Å²	62.3	11%	0.11	31%	0.312	C	S	.	.			trans	-102.5	-7.5	-175.7	59.2	0	0	0	0	113.6	R453 A454 V480 K484	R453-T482 HydrophobicContact CG-CG2 3.99Å; A454-T482 PolarHBondContact O-N 2.98Å; A454-T482 PolarHBondContact O-OG1 3.22Å; V480-T482 HydrophobicContact CG1-CG2 4.13Å; V480-T482 PolarHBondContact O-N 3.38Å; T482-K484 PolarHBondContact O-N 3.04Å
483	N	81.5	Confident	89.4	Confident	18 Å²	18	58.7 Å²	58.7	10%	0.096	30%	0.301	C	S	.	.			trans	-67	122.4	-178.9	-155.4	-51.6	0	0	0	111.8	H455 W481 I485 Y486	H455-N483 VanDerWaalsContact O-CB 3.25Å; H455-N483 WeakPolarHBondContact O-CB 3.34Å; H455-N483 PolarHBondContact O-ND2 3.29Å; W481-N483 HydrophobicContact CZ2-CB 4.35Å; N483-I485 PolarHBondContact OD1-N 3.44Å; N483-Y486 WeakPolarHBondContact ND2-CD2 3.02Å; N483-Y486 PolarHBondContact OD1-N 2.91Å
484	K	78.6	Confident	89.4	Confident	137 Å²	137	59.4 Å²	59.4	60%	0.596	30%	0.302	S	S	*	.	S	Bend	trans	-78.6	-29.2	177.7	-63.9	173.7	-178.6	165.5	0	112.7	T482 G509 D606	T482-K484 PolarHBondContact O-N 3.04Å; K484-G509 WeakPolarHBondContact CE-O 3.01Å; K484-G509 PolarHBondContact NZ-O 3.42Å; K484-D606 IonicContact NZ-OD1 3.46Å
485	I	81.2	Confident	89.2	Confident	141 Å²	141	60.2 Å²	60.2	72%	0.723	31%	0.307	S	S	*	.	S	Bend	trans	-91.8	-52	-171.5	-59.6	172	0	0	0	110	N483	N483-I485 PolarHBondContact OD1-N 3.44Å
486	Y	83.6	Confident	89	Confident	151 Å²	151	59.8 Å²	59.8	59%	0.592	32%	0.324	S	S	*	.	S	Bend	trans	-90.3	128.2	-176.2	-63.3	-68	0	0	0	111	W481 N483	W481-Y486 PolarHBondContact NE1-O 3.39Å; N483-Y486 WeakPolarHBondContact ND2-CD2 3.02Å; N483-Y486 PolarHBondContact OD1-N 2.91Å
487	P	86.2	Confident	88.9	Confident	90 Å²	90	58.7 Å²	58.7	58%	0.584	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-65.4	159.8	173.2	29.9	-34.6	0	0	0	110.5
488	V	88.5	Confident	88.7	Confident	31 Å²	31	66 Å²	66	19%	0.188	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-52.8	129.4	169	172	0	0	0	0	109.1	W481 W494 I503 R505	W481-V488 HydrophobicContact CB-CG2 3.7Å; W481-V488 HydrophobicContact CD2-CG2 3.97Å; W481-V488 HydrophobicContact CG-CG2 3.46Å; W481-V488 VanDerWaalsContact CG-CG2 3.46Å; V488-W494 HydrophobicContact CG1-CZ2 4.08Å; V488-I503 HydrophobicContact CG1-CD1 4.48Å; V488-I503 HydrophobicContact CG1-CG2 3.71Å; V488-I503 HydrophobicContact CG2-CG2 3.95Å; V488-R505 HydrophobicContact CG2-CG 3.96Å; V488-R505 VanDerWaalsContact N-NH2 3.16Å
489	P	89.2	Confident	88.5	Confident	26 Å²	26	67 Å²	67	17%	0.169	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-56.4	147.1	177.8	-27.9	36.2	0	0	0	112	F458 W481 L493 W494	F458-P489 HydrophobicContact CD2-CB 4.23Å; F458-P489 HydrophobicContact CD2-CG 3.62Å; F458-P489 HydrophobicContact CE2-CB 3.89Å; F458-P489 HydrophobicContact CE2-CG 3.74Å; F458-P489 HydrophobicContact CG-CG 4.13Å; F458-P489 HydrophobicContact CZ-CB 4.04Å; F458-P489 HydrophobicContact CZ-CG 4.34Å; W481-P489 HydrophobicContact CH2-CG 3.7Å; W481-P489 HydrophobicContact CZ2-CG 4.24Å; W481-P489 HydrophobicContact CZ3-CG 4.14Å; P489-L493 HydrophobicContact CB-CD1 4.17Å; P489-W494 PolarHBondContact O-NE1 2.96Å
490	D	89.1	Confident	88.5	Confident	95 Å²	95	70.3 Å²	70.3	51%	0.508	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-55.8	143.2	179.4	-176.4	25	0	0	0	111.3	T492 L493	D490-T492 PolarHBondContact O-N 3.45Å; D490-T492 PolarHBondContact OD2-OG1 3.38Å; D490-L493 WeakPolarHBondContact O-CB 3.23Å; D490-L493 PolarHBondContact O-N 3.39Å
491	S	86.8	Confident	88.7	Confident	93 Å²	93	72.6 Å²	72.6	65%	0.65	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-51.1	-30.1	-178.4	58.8	0	0	0	0	113.7	L493 W494	S491-L493 VanDerWaalsContact C-N 3.29Å; S491-L493 PolarHBondContact O-N 3Å; S491-W494 PolarHBondContact O-N 3.44Å
492	T	88.5	Confident	88.9	Confident	111 Å²	111	72.9 Å²	72.9	68%	0.681	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-66.7	-24.1	178.2	57.4	0	0	0	0	114.1	D490	D490-T492 PolarHBondContact O-N 3.45Å; D490-T492 PolarHBondContact OD2-OG1 3.38Å
493	L	91.1	Very high	89.3	Confident	108 Å²	108	75.2 Å²	75.2	57%	0.565	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-86	-14.3	-176.8	-63.3	172.9	0	0	0	113.4	F458 P489 D490 S491	F458-L493 HydrophobicContact CE1-CB 3.83Å; F458-L493 HydrophobicContact CZ-CB 3.95Å; P489-L493 HydrophobicContact CB-CD1 4.17Å; D490-L493 WeakPolarHBondContact O-CB 3.23Å; D490-L493 PolarHBondContact O-N 3.39Å; S491-L493 VanDerWaalsContact C-N 3.29Å; S491-L493 PolarHBondContact O-N 3Å
494	W	92.5	Very high	89.7	Confident	27 Å²	27	74.9 Å²	74.9	10%	0.102	41%	0.413	C	S	.	.	S	Bend	trans	-78.9	143.5	-176.8	-67.2	78	0	0	0	111.1	F458 L461 L465 V479 V488 P489 S491 L501 I503	F458-W494 AromaticContact CE2-CD2 3.93Å; F458-W494 HydrophobicContact CE2-CD2 3.93Å; F458-W494 AromaticContact CE2-CE2 3.75Å; F458-W494 HydrophobicContact CE2-CE3 4.21Å; F458-W494 HydrophobicContact CE2-CG 4.47Å; F458-W494 HydrophobicContact CE2-CH2 4.21Å; F458-W494 AromaticContact CE2-CZ2 3.91Å; F458-W494 HydrophobicContact CE2-CZ2 3.91Å; F458-W494 HydrophobicContact CE2-CZ3 4.35Å; F458-W494 HydrophobicContact CZ-CD2 4.2Å; F458-W494 HydrophobicContact CZ-CG 4.28Å; L461-W494 HydrophobicContact CD2-CH2 3.81Å; L461-W494 HydrophobicContact CD2-CZ3 3.83Å; L465-W494 HydrophobicContact CD1-CE3 3.87Å; L465-W494 HydrophobicContact CD1-CZ3 3.9Å; V479-W494 HydrophobicContact CB-CH2 4.44Å; V479-W494 HydrophobicContact CG1-CH2 4.04Å; V479-W494 HydrophobicContact CG1-CZ3 4.41Å; V479-W494 HydrophobicContact CG2-CZ3 4.17Å; V488-W494 HydrophobicContact CG1-CZ2 4.08Å; P489-W494 PolarHBondContact O-NE1 2.96Å; S491-W494 PolarHBondContact O-N 3.44Å; W494-L501 HydrophobicContact CD2-CD2 4.3Å; W494-L501 HydrophobicContact CE3-CD2 3.61Å; W494-L501 HydrophobicContact CZ3-CD2 4.13Å; W494-I503 HydrophobicContact CD2-CD1 3.87Å; W494-I503 VanDerWaalsContact CE2-CD1 3.5Å; W494-I503 HydrophobicContact CE3-CD1 4.21Å; W494-I503 HydrophobicContact CH2-CD1 3.89Å; W494-I503 HydrophobicContact CH2-CG1 3.76Å; W494-I503 HydrophobicContact CH2-CG2 4.46Å; W494-I503 HydrophobicContact CZ2-CD1 3.52Å; W494-I503 HydrophobicContact CZ2-CG1 3.86Å; W494-I503 HydrophobicContact CZ2-CG2 4.38Å; W494-I503 HydrophobicContact CZ3-CD1 4.21Å; W494-I503 HydrophobicContact CZ3-CG1 4.11Å
495	P	92.1	Very high	90	Very high	22 Å²	22	75.6 Å²	75.6	14%	0.143	41%	0.411	C	S	.	.			trans	-65.9	146.4	178.2	28.1	-34.1	0	0	0	111	L465 K466 L497	L465-P495 HydrophobicContact CB-CG 4.07Å; L465-P495 HydrophobicContact CD1-CG 4Å; K466-P495 HydrophobicContact CG-CB 4.17Å; P495-L497 HydrophobicContact CB-CD2 4.26Å; P495-L497 HydrophobicContact CG-CD2 4.07Å; P495-L497 HydrophobicContact CG-CG 4.32Å; P495-L497 PolarHBondContact O-N 3Å
496	S	90.8	Very high	89.7	Confident	117 Å²	117	69.6 Å²	69.6	82%	0.818	38%	0.382	S	S	*	.			trans	-70.2	115.4	168.9	55.5	0	0	0	0	109.8
497	L	92.9	Very high	88.8	Confident	34 Å²	34	65.5 Å²	65.5	18%	0.178	38%	0.379	C	S	.	.			trans	-112.3	147.3	-176.7	-58.8	175.4	0	0	0	111.5	L465 Q469 I477 P495 L501	L465-L497 HydrophobicContact CB-CD1 4.05Å; L465-L497 HydrophobicContact CB-CD2 4.14Å; L465-L497 HydrophobicContact CD1-CD1 4.4Å; L465-L497 HydrophobicContact CD2-CD1 4.12Å; L465-L497 HydrophobicContact CG-CD1 4.42Å; Q469-L497 HydrophobicContact CB-CD2 4.45Å; Q469-L497 HydrophobicContact CG-CD2 4.35Å; I477-L497 HydrophobicContact CD1-CD1 4.02Å; P495-L497 HydrophobicContact CB-CD2 4.26Å; P495-L497 HydrophobicContact CG-CD2 4.07Å; P495-L497 HydrophobicContact CG-CG 4.32Å; P495-L497 PolarHBondContact O-N 3Å; L497-L501 HydrophobicContact CD1-CB 4.24Å; L497-L501 HydrophobicContact CD1-CD1 4.47Å; L497-L501 HydrophobicContact CD1-CD2 4.12Å
498	I	92.5	Very high	87.7	Confident	153 Å²	153	72.4 Å²	72.4	79%	0.785	40%	0.395	S	S	*	.	S	Bend	trans	-75.3	-32.4	176.5	-56.1	166.2	0	0	0	110.7	Q469	Q469-I498 VanDerWaalsContact OE1-N 3.1Å
499	V	93.1	Very high	86.6	Confident	21 Å²	21	71.8 Å²	71.8	13%	0.127	40%	0.396	C	S	.	.	S	Bend	trans	-91.9	145.5	178.4	-67.8	0	0	0	0	111.3	Q469 L474 I477 L501	Q469-V499 HydrophobicContact CB-CG2 4.05Å; L474-V499 HydrophobicContact CD2-CG1 4.39Å; L474-V499 HydrophobicContact CD2-CG2 3.92Å; L474-V499 HydrophobicContact CG-CG1 4.42Å; I477-V499 HydrophobicContact CD1-CG2 3.5Å; I477-V499 VanDerWaalsContact CD1-CG2 3.5Å; I477-V499 HydrophobicContact CG1-CG2 3.83Å; V499-L501 PolarHBondContact O-N 3.47Å
500	P	94.8	Very high	86	Confident	70 Å²	70	71.8 Å²	71.8	46%	0.455	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-60.7	125.7	178.6	-23.1	32.8	0	0	0	112.7	R476 I477	R476-P500 HydrophobicContact CG-CB 4.49Å; R476-P500 WeakPolarHBondContact CG-O 3.46Å; I477-P500 PolarHBondContact N-O 2.95Å
501	L	95	Very high	85.4	Confident	49 Å²	49	68.1 Å²	68.1	26%	0.257	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	140.6	174.6	179.3	63.3	0	0	0	110.9	L465 I477 V479 W494 L497 V499 I503	L465-L501 HydrophobicContact CD2-CD1 4.21Å; I477-L501 HydrophobicContact CB-CD1 3.94Å; I477-L501 HydrophobicContact CG2-CD1 3.71Å; I477-L501 CarbonylContact O-C 3.56Å; I477-L501 WeakPolarHBondContact O-CA 2.85Å; V479-L501 HydrophobicContact CG2-CD1 3.69Å; W494-L501 HydrophobicContact CD2-CD2 4.3Å; W494-L501 HydrophobicContact CE3-CD2 3.61Å; W494-L501 HydrophobicContact CZ3-CD2 4.13Å; L497-L501 HydrophobicContact CD1-CB 4.24Å; L497-L501 HydrophobicContact CD1-CD1 4.47Å; L497-L501 HydrophobicContact CD1-CD2 4.12Å; V499-L501 PolarHBondContact O-N 3.47Å; L501-I503 HydrophobicContact CG-CG1 4.47Å
502	S	94.7	Very high	85.2	Confident	19 Å²	19	64.4 Å²	64.4	13%	0.133	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	130.6	169.9	-70.7	0	0	0	0	110.9	R476 I477 V478 V479	R476-S502 PolarHBondContact NH2-OG 3.37Å; I477-S502 PolarHBondContact O-N 3.15Å; V478-S502 CarbonylContact C-O 3.51Å; V478-S502 WeakPolarHBondContact CA-O 2.81Å; V479-S502 PolarHBondContact N-O 3.04Å
503	I	92.7	Very high	85	Confident	66 Å²	66	59.6 Å²	59.6	34%	0.338	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.2	178.1	-55.7	147.2	0	0	0	107.2	V479 V488 W494 L501	V479-I503 WeakPolarHBondContact O-CA 3.46Å; V488-I503 HydrophobicContact CG1-CD1 4.48Å; V488-I503 HydrophobicContact CG1-CG2 3.71Å; V488-I503 HydrophobicContact CG2-CG2 3.95Å; W494-I503 HydrophobicContact CD2-CD1 3.87Å; W494-I503 VanDerWaalsContact CE2-CD1 3.5Å; W494-I503 HydrophobicContact CE3-CD1 4.21Å; W494-I503 HydrophobicContact CH2-CD1 3.89Å; W494-I503 HydrophobicContact CH2-CG1 3.76Å; W494-I503 HydrophobicContact CH2-CG2 4.46Å; W494-I503 HydrophobicContact CZ2-CD1 3.52Å; W494-I503 HydrophobicContact CZ2-CG1 3.86Å; W494-I503 HydrophobicContact CZ2-CG2 4.38Å; W494-I503 HydrophobicContact CZ3-CD1 4.21Å; W494-I503 HydrophobicContact CZ3-CG1 4.11Å; L501-I503 HydrophobicContact CG-CG1 4.47Å
504	V	90.1	Very high	84.7	Confident	12 Å²	12	54.4 Å²	54.4	7%	0.073	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	145.9	178.6	-61.7	0	0	0	0	109.1	V478 V479 V480 W481 Y518	V478-V504 HydrophobicContact CG1-CG1 4.39Å; V478-V504 HydrophobicContact CG1-CG2 3.85Å; V479-V504 PolarHBondContact O-N 3.07Å; V480-V504 WeakPolarHBondContact CA-O 3.46Å; V480-V504 HydrophobicContact CB-CG2 4.21Å; V480-V504 HydrophobicContact CG1-CG2 4.32Å; V480-V504 HydrophobicContact CG2-CG2 3.77Å; W481-V504 PolarHBondContact N-O 3.47Å; V504-Y518 HydrophobicContact CB-CD1 3.99Å; V504-Y518 HydrophobicContact CB-CE1 3.82Å; V504-Y518 HydrophobicContact CG1-CD1 4.06Å; V504-Y518 HydrophobicContact CG1-CE1 4.41Å; V504-Y518 HydrophobicContact CG2-CD1 3.9Å; V504-Y518 HydrophobicContact CG2-CD2 4.12Å; V504-Y518 HydrophobicContact CG2-CE1 3.66Å; V504-Y518 HydrophobicContact CG2-CE2 3.92Å; V504-Y518 HydrophobicContact CG2-CG 4.12Å
505	R	85.1	Confident	84.6	Confident	151 Å²	151	53.1 Å²	53.1	57%	0.57	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	137.1	173.9	-68.8	-174.8	-178.2	-174.5	0.5	109	W481 V488	W481-R505 HydrophobicContact CB-CG 4.43Å; V488-R505 HydrophobicContact CG2-CG 3.96Å; V488-R505 VanDerWaalsContact N-NH2 3.16Å
506	S	73.5	Confident	84.4	Confident	15 Å²	15	56.8 Å²	56.8	11%	0.105	31%	0.305	C	S	.	.			trans	-63.7	133.8	170.6	177.2	0	0	0	0	109.9	Y508 S510 G513	S506-Y508 PolarHBondContact O-N 3.25Å; S506-S510 PolarHBondContact OG-O 3.46Å; S506-G513 WeakPolarHBondContact OG-CA 3.12Å
507	A	66.5	Low	84.3	Confident	65 Å²	65	52.6 Å²	52.6	54%	0.537	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-64.9	132.7	173.3	0	0	0	0	0	109.6	G509 S510	A507-G509 PolarHBondContact O-N 2.03Å; A507-G509 VanDerWaalsContact O-N 3.12Å; A507-S510 PolarHBondContact O-N 3.25Å
508	Y	62.6	Low	84.2	Confident	235 Å²	235	52 Å²	52	92%	0.922	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	62.8	14.7	174.1	-50.4	-79.6	0	0	0	116.5	S506 S510	S506-Y508 PolarHBondContact O-N 3.25Å; Y508-S510 PolarHBondContact O-N 3.5Å
509	G	64.4	Low	84.2	Confident	19 Å²	19	55.1 Å²	55.1	20%	0.196	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	67.8	14.4	-178.8	0	0	0	0	0	113.9	K484 A507	K484-G509 WeakPolarHBondContact CE-O 3.01Å; K484-G509 PolarHBondContact NZ-O 3.42Å; A507-G509 PolarHBondContact O-N 2.03Å; A507-G509 VanDerWaalsContact O-N 3.12Å
510	S	77	Confident	84.2	Confident	26 Å²	26	55.8 Å²	55.8	18%	0.182	27%	0.273	C	S	.	.			trans	-64.7	137.2	174.4	166.6	0	0	0	0	110.5	S506 A507 Y508 N512 G513 D603	S506-S510 PolarHBondContact OG-O 3.46Å; A507-S510 PolarHBondContact O-N 3.25Å; Y508-S510 PolarHBondContact O-N 3.5Å; S510-N512 VanDerWaalsContact C-N 3.26Å; S510-N512 WeakPolarHBondContact OG-CB 3.14Å; S510-N512 PolarHBondContact OG-N 2.67Å; S510-G513 PolarHBondContact O-N 3.03Å; S510-D603 VanDerWaalsContact CA-OD1 3.29Å; S510-D603 WeakPolarHBondContact CA-OD1 2.91Å; S510-D603 VanDerWaalsContact CB-OD1 3.31Å; S510-D603 WeakPolarHBondContact CB-OD1 3.03Å; S510-D603 PolarHBondContact OG-OD1 2.7Å; S510-D603 PolarHBondContact OG-OD2 2.73Å
511	V	77.4	Confident	84	Confident	18 Å²	18	53.3 Å²	53.3	11%	0.109	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-71.4	-27.2	173.5	-67.9	0	0	0	0	111	G513 R514 I602 D603 D606 E609	V511-G513 PolarHBondContact O-N 3.44Å; V511-G513 VanDerWaalsContact O-N 3.12Å; V511-R514 PolarHBondContact O-N 3.28Å; V511-R514 VanDerWaalsContact O-N 3.17Å; V511-I602 HydrophobicContact CG2-CG2 4.07Å; V511-I602 WeakPolarHBondContact CG2-O 3.27Å; V511-D603 WeakPolarHBondContact CG2-OD1 3.44Å; V511-D603 PolarHBondContact N-OD1 3.17Å; V511-D606 WeakPolarHBondContact CG1-O 3.44Å; V511-E609 HydrophobicContact CB-CB 4.17Å; V511-E609 HydrophobicContact CB-CG 4.15Å; V511-E609 HydrophobicContact CG2-CB 4.04Å
512	N	81.6	Confident	83.6	Confident	14 Å²	14	60.5 Å²	60.5	8%	0.075	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-58.3	-25.9	173.4	-67.5	-65.4	0	0	0	112.7	S510 R514 F515 Y590 K599 I602 D603	S510-N512 VanDerWaalsContact C-N 3.26Å; S510-N512 WeakPolarHBondContact OG-CB 3.14Å; S510-N512 PolarHBondContact OG-N 2.67Å; N512-R514 PolarHBondContact O-N 3.13Å; N512-R514 VanDerWaalsContact O-N 3.08Å; N512-F515 PolarHBondContact O-N 3.43Å; N512-Y590 HydrophobicContact CB-CE1 4.29Å; N512-Y590 PolarHBondContact OD1-OH 2.83Å; N512-K599 PolarHBondContact ND2-O 2.63Å; N512-I602 WeakPolarHBondContact OD1-CG2 3.28Å; N512-D603 PolarHBondContact N-OD1 2.02Å; N512-D603 PolarHBondContact ND2-OD1 3.25Å; N512-D603 PolarHBondContact ND2-OD2 2.98Å
513	G	84.2	Confident	83.5	Confident	10 Å²	10	60.4 Å²	60.4	10%	0.103	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-62.3	-16.2	179.5	0	0	0	0	0	114.1	S506 S510 V511 F515 F516 Y518	S506-G513 WeakPolarHBondContact OG-CA 3.12Å; S510-G513 PolarHBondContact O-N 3.03Å; V511-G513 PolarHBondContact O-N 3.44Å; V511-G513 VanDerWaalsContact O-N 3.12Å; G513-F515 PolarHBondContact O-N 3.02Å; G513-F516 WeakPolarHBondContact O-CB 3.4Å; G513-F516 PolarHBondContact O-N 2.91Å; G513-Y518 VanDerWaalsContact O-CE2 3.25Å; G513-Y518 WeakPolarHBondContact O-CE2 3.39Å; G513-Y518 VanDerWaalsContact O-CZ 3.27Å; G513-Y518 PolarHBondContact O-OH 3.08Å
514	R	86.3	Confident	83.3	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-54.4	-40	168.7	180	-177.8	-179.2	162.8	-0.7	112	R453 V511 N512 S528 E530 E609	R453-R514 HydrophobicContact CB-CG 4.48Å; V511-R514 PolarHBondContact O-N 3.28Å; V511-R514 VanDerWaalsContact O-N 3.17Å; N512-R514 PolarHBondContact O-N 3.13Å; N512-R514 VanDerWaalsContact O-N 3.08Å; R514-S528 PolarHBondContact NH2-OG 3.34Å; R514-E530 IonicContact CZ-OE1 3.39Å; R514-E530 IonicContact NH1-OE1 3.54Å; R514-E530 PolarHBondContact NH1-OE1 2.88Å; R514-E530 IonicContact NH2-OE1 3.51Å; R514-E609 WeakPolarHBondContact CD-OE1 3.3Å; R514-E609 IonicContact CZ-OE1 2.81Å; R514-E609 IonicContact NE-OE1 3.46Å; R514-E609 IonicContact NH1-OE1 3.36Å; R514-E609 PolarHBondContact NH1-OE1 3.19Å
515	F	88.6	Confident	83.4	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-101.3	18.9	-173.9	-56.2	-62	0	0	0	113.4	N512 G513 L587 Y590 T591 E609 D610 F613	N512-F515 PolarHBondContact O-N 3.43Å; G513-F515 PolarHBondContact O-N 3.02Å; F515-L587 HydrophobicContact CB-CD2 3.95Å; F515-L587 HydrophobicContact CD1-CD2 4.18Å; F515-L587 WeakPolarHBondContact O-CD2 3.48Å; F515-Y590 HydrophobicContact CB-CD1 3.82Å; F515-Y590 HydrophobicContact CB-CE1 4.05Å; F515-Y590 HydrophobicContact CD2-CE1 4.27Å; F515-T591 PolarHBondContact O-OG1 3.44Å; F515-E609 HydrophobicContact CE2-CG 3.91Å; F515-D610 HydrophobicContact CE2-CB 4.49Å; F515-D610 HydrophobicContact CZ-CB 3.95Å; F515-F613 HydrophobicContact CB-CD2 3.79Å; F515-F613 HydrophobicContact CB-CE2 3.82Å; F515-F613 HydrophobicContact CB-CG 4.37Å; F515-F613 HydrophobicContact CB-CZ 4.42Å; F515-F613 HydrophobicContact CD1-CB 4.37Å; F515-F613 AromaticContact CD1-CD1 3.56Å; F515-F613 HydrophobicContact CD1-CD1 3.56Å; F515-F613 AromaticContact CD1-CD2 3.88Å; F515-F613 HydrophobicContact CD1-CD2 3.88Å; F515-F613 AromaticContact CD1-CE1 3.68Å; F515-F613 HydrophobicContact CD1-CE1 3.68Å; F515-F613 HydrophobicContact CD1-CE2 4.03Å; F515-F613 AromaticContact CD1-CG 3.66Å; F515-F613 HydrophobicContact CD1-CG 3.66Å; F515-F613 AromaticContact CD1-CZ 3.93Å; F515-F613 HydrophobicContact CD1-CZ 3.93Å; F515-F613 HydrophobicContact CD2-CB 3.62Å; F515-F613 HydrophobicContact CD2-CD1 4.35Å; F515-F613 AromaticContact CD2-CD2 3.82Å; F515-F613 HydrophobicContact CD2-CD2 3.82Å; F515-F613 AromaticContact CD2-CG 3.68Å; F515-F613 HydrophobicContact CD2-CG 3.68Å; F515-F613 HydrophobicContact CE1-CB 4.17Å; F515-F613 AromaticContact CE1-CD1 3.42Å; F515-F613 HydrophobicContact CE1-CD1 3.42Å; F515-F613 VanDerWaalsContact CE1-CD1 3.42Å; F515-F613 HydrophobicContact CE1-CD2 4.44Å; F515-F613 AromaticContact CE1-CE1 3.85Å; F515-F613 HydrophobicContact CE1-CE1 3.85Å; F515-F613 AromaticContact CE1-CG 3.75Å; F515-F613 HydrophobicContact CE1-CG 3.75Å; F515-F613 HydrophobicContact CE2-CB 3.35Å; F515-F613 HydrophobicContact CE2-CD1 4.21Å; F515-F613 HydrophobicContact CE2-CD2 4.35Å; F515-F613 AromaticContact CE2-CG 3.74Å; F515-F613 HydrophobicContact CE2-CG 3.74Å; F515-F613 HydrophobicContact CG-CB 4.13Å; F515-F613 HydrophobicContact CG-CD1 4.04Å; F515-F613 AromaticContact CG-CD2 3.55Å; F515-F613 HydrophobicContact CG-CD2 3.55Å; F515-F613 HydrophobicContact CG-CE1 4.34Å; F515-F613 AromaticContact CG-CE2 3.92Å; F515-F613 HydrophobicContact CG-CE2 3.92Å; F515-F613 AromaticContact CG-CG 3.63Å; F515-F613 HydrophobicContact CG-CG 3.63Å; F515-F613 HydrophobicContact CG-CZ 4.3Å; F515-F613 HydrophobicContact CZ-CB 3.66Å; F515-F613 AromaticContact CZ-CD1 3.77Å; F515-F613 HydrophobicContact CZ-CD1 3.77Å; F515-F613 AromaticContact CZ-CG 3.79Å; F515-F613 HydrophobicContact CZ-CG 3.79Å
516	F	89.5	Confident	83.8	Confident	99 Å²	99	52.1 Å²	52.1	43%	0.434	24%	0.244	S	C	.	.	S	Bend	trans	-70	139.5	172.9	-173.1	-95.7	0	0	0	110.8	G513 Y518 T591	G513-F516 WeakPolarHBondContact O-CB 3.4Å; G513-F516 PolarHBondContact O-N 2.91Å; F516-Y518 VanDerWaalsContact C-N 3.25Å; F516-Y518 HydrophobicContact CB-CD2 4.39Å; F516-Y518 HydrophobicContact CB-CE1 4.37Å; F516-Y518 HydrophobicContact CB-CE2 3.89Å; F516-Y518 AromaticContact CD1-CD1 3.85Å; F516-Y518 HydrophobicContact CD1-CD1 3.85Å; F516-Y518 AromaticContact CD1-CE1 3.9Å; F516-Y518 HydrophobicContact CD1-CE1 3.9Å; F516-Y518 HydrophobicContact CD1-CG 4.18Å; F516-Y518 WeakPolarHBondContact O-CD2 3.47Å; F516-Y518 WeakPolarHBondContact O-CE2 3.25Å; F516-Y518 PolarHBondContact O-N 3.46Å; F516-T591 HydrophobicContact CD2-CG2 3.76Å; F516-T591 HydrophobicContact CE2-CG2 3.9Å
517	P	88.1	Confident	84.8	Confident	28 Å²	28	51.4 Å²	51.4	18%	0.182	24%	0.239	C	C	.	.			trans	-73.6	75	178.3	30.4	-37.1	0	0	0	111.6	R519 L587 H588 T591	P517-R519 PolarHBondContact O-N 3.49Å; P517-L587 HydrophobicContact CB-CB 4.04Å; P517-H588 WeakPolarHBondContact CB-CE1 3.46Å; P517-T591 WeakPolarHBondContact CD-OG1 3.45Å; P517-T591 HydrophobicContact CG-CG2 4.45Å
518	Y	91.3	Very high	86.1	Confident	22 Å²	22	48.3 Å²	48.3	9%	0.086	21%	0.214	C	C	.	.			trans	-62.2	134	179.4	-65.7	-75.1	0	0	0	111.9	V480 V504 G513 F516 Q520 I521	V480-Y518 HydrophobicContact CG1-CE2 4.41Å; V480-Y518 HydrophobicContact CG2-CD2 4.43Å; V480-Y518 HydrophobicContact CG2-CE2 3.78Å; V504-Y518 HydrophobicContact CB-CD1 3.99Å; V504-Y518 HydrophobicContact CB-CE1 3.82Å; V504-Y518 HydrophobicContact CG1-CD1 4.06Å; V504-Y518 HydrophobicContact CG1-CE1 4.41Å; V504-Y518 HydrophobicContact CG2-CD1 3.9Å; V504-Y518 HydrophobicContact CG2-CD2 4.12Å; V504-Y518 HydrophobicContact CG2-CE1 3.66Å; V504-Y518 HydrophobicContact CG2-CE2 3.92Å; V504-Y518 HydrophobicContact CG2-CG 4.12Å; G513-Y518 VanDerWaalsContact O-CE2 3.25Å; G513-Y518 WeakPolarHBondContact O-CE2 3.39Å; G513-Y518 VanDerWaalsContact O-CZ 3.27Å; G513-Y518 PolarHBondContact O-OH 3.08Å; F516-Y518 VanDerWaalsContact C-N 3.25Å; F516-Y518 HydrophobicContact CB-CD2 4.39Å; F516-Y518 HydrophobicContact CB-CE1 4.37Å; F516-Y518 HydrophobicContact CB-CE2 3.89Å; F516-Y518 AromaticContact CD1-CD1 3.85Å; F516-Y518 HydrophobicContact CD1-CD1 3.85Å; F516-Y518 AromaticContact CD1-CE1 3.9Å; F516-Y518 HydrophobicContact CD1-CE1 3.9Å; F516-Y518 HydrophobicContact CD1-CG 4.18Å; F516-Y518 WeakPolarHBondContact O-CD2 3.47Å; F516-Y518 WeakPolarHBondContact O-CE2 3.25Å; F516-Y518 PolarHBondContact O-N 3.46Å; Y518-Q520 PolarHBondContact O-N 3.45Å; Y518-I521 HydrophobicContact CD2-CD1 4.31Å; Y518-I521 WeakPolarHBondContact O-CB 3.5Å; Y518-I521 PolarHBondContact O-N 2.8Å
519	R	91.7	Very high	87.4	Confident	219 Å²	219	37.1 Å²	37.1	83%	0.826	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-21.1	177.5	67.7	173	-174	139.3	-0.9	114.7	P517 I521	P517-R519 PolarHBondContact O-N 3.49Å; R519-I521 VanDerWaalsContact C-N 3.3Å
520	Q	92.4	Very high	88.4	Confident	34 Å²	34	36.4 Å²	36.4	16%	0.159	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-23.4	178.6	-67.3	84.8	-15.6	0	0	111.9	R476 V478 Y518 R522	R476-Q520 WeakPolarHBondContact CD-O 3.32Å; R476-Q520 PolarHBondContact NE-O 3.3Å; V478-Q520 HydrophobicContact CG2-CB 3.91Å; Y518-Q520 PolarHBondContact O-N 3.45Å; Q520-R522 PolarHBondContact O-N 3.13Å
521	I	92.2	Very high	88.8	Confident	19 Å²	19	35.3 Å²	35.3	10%	0.097	15%	0.153	C	C	.	.			trans	-81.4	104.8	177.9	-56.7	171.7	0	0	0	108.3	T449 L451 V478 Y518 R519 I526 L587	T449-I521 HydrophobicContact CG2-CG1 4.36Å; L451-I521 HydrophobicContact CD1-CD1 4.16Å; V478-I521 HydrophobicContact CG2-CG1 4.16Å; Y518-I521 HydrophobicContact CD2-CD1 4.31Å; Y518-I521 WeakPolarHBondContact O-CB 3.5Å; Y518-I521 PolarHBondContact O-N 2.8Å; R519-I521 VanDerWaalsContact C-N 3.3Å; I521-I526 HydrophobicContact CD1-CD1 4.34Å; I521-I526 HydrophobicContact CG2-CD1 3.6Å; I521-I526 HydrophobicContact CG2-CG1 3.88Å; I521-L587 HydrophobicContact CD1-CD1 3.55Å
522	R	86.3	Confident	88.8	Confident	199 Å²	199	36 Å²	36	75%	0.751	16%	0.156	S	C	*	.			trans	-106.8	-30.5	-176.7	-66.8	-175.3	177.4	171.9	-2.6	113.6	Q520	Q520-R522 PolarHBondContact O-N 3.13Å
523	T	91.2	Very high	88.5	Confident	17 Å²	17	36.2 Å²	36.2	10%	0.104	16%	0.158	C	C	.	.	S	Bend	trans	-73.1	152.1	179.1	56.9	0	0	0	0	110.8	T449 R475 A525 K584	T449-T523 VanDerWaalsContact CB-OG1 3.25Å; T449-T523 WeakPolarHBondContact CB-OG1 3.36Å; T449-T523 PolarHBondContact N-OG1 3.15Å; T449-T523 PolarHBondContact OG1-OG1 3.49Å; R475-T523 HydrophobicContact CB-CG2 4.1Å; R475-T523 HydrophobicContact CG-CG2 4.2Å; T523-A525 PolarHBondContact OG1-O 2.9Å; T523-K584 WeakPolarHBondContact O-CD 3.11Å
524	E	88.5	Confident	88.1	Confident	56 Å²	56	38.6 Å²	38.6	26%	0.262	17%	0.172	S	C	.	.	S	Bend	trans	-69.1	-43.7	173.5	-74.2	171.5	-177.8	0	0	111.7	P439 W548 H583 K584	P439-E524 WeakPolarHBondContact CG-OE2 3.3Å; E524-W548 HydrophobicContact CB-CH2 4.07Å; E524-H583 CarbonylContact O-C 3.53Å; E524-H583 WeakPolarHBondContact O-CA 2.98Å; E524-K584 PolarHBondContact O-N 2.8Å
525	A	92.3	Very high	87.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	133.9	174.1	0	0	0	0	0	111.5	F448 T449 T523 F545 W548	F448-A525 WeakPolarHBondContact CA-O 3.46Å; F448-A525 HydrophobicContact CB-CB 3.5Å; F448-A525 VanDerWaalsContact CB-CB 3.5Å; T449-A525 PolarHBondContact N-O 2.97Å; T449-A525 VanDerWaalsContact N-O 3.12Å; T523-A525 PolarHBondContact OG1-O 2.9Å; A525-F545 HydrophobicContact CB-CD2 4.08Å; A525-F545 HydrophobicContact CB-CE2 3.58Å; A525-W548 HydrophobicContact CB-CD2 4.1Å; A525-W548 HydrophobicContact CB-CE3 3.65Å; A525-W548 HydrophobicContact CB-CH2 3.61Å; A525-W548 HydrophobicContact CB-CZ2 4.03Å; A525-W548 HydrophobicContact CB-CZ3 3.43Å; A525-W548 VanDerWaalsContact CB-CZ3 3.43Å
526	I	94.6	Very high	87.3	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.5	171.3	-56.6	-177.5	0	0	0	108.1	T449 L451 I521 F581 F582 K584 L587	T449-I526 WeakPolarHBondContact O-CA 3.36Å; L451-I526 HydrophobicContact CB-CG2 3.61Å; L451-I526 HydrophobicContact CD2-CG2 4.04Å; L451-I526 HydrophobicContact CG-CG2 4.49Å; I521-I526 HydrophobicContact CD1-CD1 4.34Å; I521-I526 HydrophobicContact CG2-CD1 3.6Å; I521-I526 HydrophobicContact CG2-CG1 3.88Å; I526-F581 VanDerWaalsContact O-CA 3.27Å; I526-F581 WeakPolarHBondContact O-CA 3.34Å; I526-F582 HydrophobicContact CB-CD2 4.34Å; I526-F582 HydrophobicContact CB-CE2 3.98Å; I526-F582 HydrophobicContact CB-CZ 4.1Å; I526-F582 HydrophobicContact CD1-CE2 3.88Å; I526-F582 HydrophobicContact CD1-CZ 4.45Å; I526-F582 HydrophobicContact CG1-CE2 4.45Å; I526-F582 HydrophobicContact CG2-CE1 4.29Å; I526-F582 HydrophobicContact CG2-CE2 4.16Å; I526-F582 HydrophobicContact CG2-CZ 3.8Å; I526-F582 PolarHBondContact N-O 3.2Å; I526-F582 PolarHBondContact O-N 3.31Å; I526-K584 HydrophobicContact CD1-CB 3.74Å; I526-K584 HydrophobicContact CG1-CB 4.16Å; I526-L587 HydrophobicContact CD1-CD1 3.36Å; I526-L587 HydrophobicContact CD1-CG 3.92Å
527	F	95	Very high	87.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	103.6	169	-179.5	-125.1	0	0	0	109.1	F448 T449 A450 L451 I468 I529 V541 L558 F581	F448-F527 HydrophobicContact CD2-CB 3.53Å; F448-F527 HydrophobicContact CE2-CB 3.59Å; F448-F527 HydrophobicContact CE2-CD1 4.13Å; F448-F527 HydrophobicContact CE2-CG 4.15Å; T449-F527 PolarHBondContact O-N 3.12Å; A450-F527 CarbonylContact C-O 3.56Å; A450-F527 WeakPolarHBondContact CA-O 3.37Å; L451-F527 PolarHBondContact N-O 3.34Å; I468-F527 HydrophobicContact CD1-CD1 3.68Å; I468-F527 HydrophobicContact CD1-CE1 3.66Å; F527-I529 HydrophobicContact CD1-CB 4.48Å; F527-I529 HydrophobicContact CD1-CG2 4.41Å; F527-I529 HydrophobicContact CE1-CB 3.96Å; F527-I529 HydrophobicContact CE1-CD1 3.82Å; F527-I529 HydrophobicContact CE1-CG1 4.49Å; F527-I529 HydrophobicContact CE1-CG2 4.15Å; F527-I529 HydrophobicContact CZ-CB 4.21Å; F527-I529 HydrophobicContact CZ-CD1 3.87Å; F527-V541 HydrophobicContact CD1-CG1 4.45Å; F527-V541 HydrophobicContact CE1-CG1 4.37Å; F527-V541 HydrophobicContact CE1-CG2 4.5Å; F527-V541 HydrophobicContact CZ-CG2 4.47Å; F527-L558 HydrophobicContact CD2-CD1 4.34Å; F527-L558 HydrophobicContact CE2-CD1 3.59Å; F527-L558 HydrophobicContact CE2-CD2 3.79Å; F527-L558 HydrophobicContact CE2-CG 4.33Å; F527-L558 HydrophobicContact CZ-CD1 4.39Å; F527-L558 HydrophobicContact CZ-CD2 3.72Å; F527-F581 HydrophobicContact CB-CD1 3.97Å; F527-F581 HydrophobicContact CB-CE1 3.57Å; F527-F581 HydrophobicContact CB-CE2 4.24Å; F527-F581 HydrophobicContact CB-CG 4.48Å; F527-F581 HydrophobicContact CB-CZ 3.7Å; F527-F581 HydrophobicContact CD2-CD1 4.37Å; F527-F581 AromaticContact CD2-CD2 3.56Å; F527-F581 HydrophobicContact CD2-CD2 3.56Å; F527-F581 HydrophobicContact CD2-CE1 4.22Å; F527-F581 AromaticContact CD2-CE2 3.34Å; F527-F581 HydrophobicContact CD2-CE2 3.34Å; F527-F581 HydrophobicContact CD2-CG 4.07Å; F527-F581 AromaticContact CD2-CZ 3.7Å; F527-F581 HydrophobicContact CD2-CZ 3.7Å; F527-F581 HydrophobicContact CE2-CD2 4.17Å; F527-F581 AromaticContact CE2-CE2 3.9Å; F527-F581 HydrophobicContact CE2-CE2 3.9Å; F527-F581 HydrophobicContact CG-CD2 4.41Å; F527-F581 HydrophobicContact CG-CE1 4.16Å; F527-F581 AromaticContact CG-CE2 3.93Å; F527-F581 HydrophobicContact CG-CE2 3.93Å; F527-F581 AromaticContact CG-CZ 3.78Å; F527-F581 HydrophobicContact CG-CZ 3.78Å
528	S	92.9	Very high	87.1	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	127	175.5	171.8	0	0	0	0	110	L451 R514 S579 V580 Y614	L451-S528 WeakPolarHBondContact O-CA 3.44Å; R514-S528 PolarHBondContact NH2-OG 3.34Å; S528-S579 WeakPolarHBondContact O-CA 3.19Å; S528-V580 PolarHBondContact N-O 3.09Å; S528-V580 PolarHBondContact O-N 3.1Å; S528-Y614 PolarHBondContact OG-OH 3.29Å; S528-Y614 VanDerWaalsContact OG-OH 3.1Å
529	I	89.8	Confident	86.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	155.5	177.8	-168.2	158.8	0	0	0	111.3	L451 I452 R453 L464 F527 T533 P536 S578 S579	L451-I529 PolarHBondContact O-N 2.7Å; I452-I529 VanDerWaalsContact CA-O 3.28Å; I452-I529 WeakPolarHBondContact CA-O 3.35Å; I452-I529 HydrophobicContact CB-CG2 4.31Å; I452-I529 HydrophobicContact CD1-CG2 4.24Å; I452-I529 HydrophobicContact CG1-CG2 3.67Å; I452-I529 HydrophobicContact CG2-CG2 4.32Å; R453-I529 PolarHBondContact N-O 3.48Å; L464-I529 HydrophobicContact CD1-CD1 3.81Å; L464-I529 HydrophobicContact CD2-CD1 4.34Å; L464-I529 HydrophobicContact CD2-CG1 4.2Å; L464-I529 HydrophobicContact CD2-CG2 4.09Å; F527-I529 HydrophobicContact CD1-CB 4.48Å; F527-I529 HydrophobicContact CD1-CG2 4.41Å; F527-I529 HydrophobicContact CE1-CB 3.96Å; F527-I529 HydrophobicContact CE1-CD1 3.82Å; F527-I529 HydrophobicContact CE1-CG1 4.49Å; F527-I529 HydrophobicContact CE1-CG2 4.15Å; F527-I529 HydrophobicContact CZ-CB 4.21Å; F527-I529 HydrophobicContact CZ-CD1 3.87Å; I529-T533 HydrophobicContact CD1-CG2 4.3Å; I529-T533 HydrophobicContact CG1-CG2 4.25Å; I529-P536 HydrophobicContact CD1-CG 3.99Å; I529-S578 WeakPolarHBondContact CA-O 3.43Å; I529-S579 WeakPolarHBondContact CD1-OG 3.44Å
530	E	86.4	Confident	86.7	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.019	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	150.6	175.5	-49	-162.6	119.8	0	0	111.5	R453 R514 D532 T533 K659	R453-E530 IonicContact CZ-OE1 3.68Å; R453-E530 IonicContact NE-OE1 3.75Å; R453-E530 PolarHBondContact NE-OE1 3.23Å; R453-E530 IonicContact NH2-OE1 2.67Å; R453-E530 PolarHBondContact NH2-OE1 3.26Å; R453-E530 IonicContact NH2-OE2 3.7Å; R514-E530 IonicContact CZ-OE1 3.39Å; R514-E530 IonicContact NH1-OE1 3.54Å; R514-E530 PolarHBondContact NH1-OE1 2.88Å; R514-E530 IonicContact NH2-OE1 3.51Å; E530-D532 WeakPolarHBondContact CB-OD1 3.49Å; E530-D532 PolarHBondContact O-N 3.01Å; E530-T533 WeakPolarHBondContact CA-OG1 3.38Å; E530-T533 WeakPolarHBondContact CB-OG1 3.31Å; E530-T533 PolarHBondContact N-OG1 2.97Å; E530-T533 WeakPolarHBondContact O-CB 3.42Å; E530-T533 PolarHBondContact O-N 3.05Å; E530-T533 VanDerWaalsContact O-N 3.13Å; E530-T533 PolarHBondContact O-OG1 3.21Å; E530-K659 IonicContact OE1-NZ 3.82Å; E530-K659 PolarHBondContact OE1-NZ 3.26Å; E530-K659 WeakPolarHBondContact OE2-CE 3.09Å; E530-K659 IonicContact OE2-NZ 2.74Å; E530-K659 PolarHBondContact OE2-NZ 3.35Å
531	E	84.6	Confident	86.6	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.009	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.1	-179.2	65.1	176	-169.5	0	0	114.7	R453 A454 H455 N456 H457 L460 L461	R453-E531 PolarHBondContact O-N 2.99Å; A454-E531 WeakPolarHBondContact CA-OE2 3.49Å; H455-E531 PolarHBondContact N-OE1 3.44Å; H455-E531 VanDerWaalsContact N-OE1 3.13Å; H455-E531 PolarHBondContact N-OE2 3.37Å; N456-E531 PolarHBondContact N-OE1 3.14Å; H457-E531 HydrophobicContact CB-CG 4.19Å; H457-E531 IonicContact CG-OE1 2.9Å; H457-E531 PolarHBondContact N-OE1 3.49Å; H457-E531 PolarHBondContact N-OE2 2.86Å; H457-E531 IonicContact ND1-OE1 3.28Å; H457-E531 PolarHBondContact ND1-OE1 3.37Å; L460-E531 VanDerWaalsContact CB-O 3.29Å; L460-E531 WeakPolarHBondContact CB-O 3.48Å; L461-E531 HydrophobicContact CB-CB 4.09Å; L461-E531 HydrophobicContact CD1-CB 4.24Å
532	D	77.3	Confident	86.5	Confident	32 Å²	32	37.6 Å²	37.6	17%	0.171	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	9.4	-176.8	57.3	-28.6	0	0	0	112.8	R453 L460 E530 I656	R453-D532 IonicContact NH2-OD1 3.85Å; L460-D532 HydrophobicContact CD1-CB 4.28Å; E530-D532 WeakPolarHBondContact CB-OD1 3.49Å; E530-D532 PolarHBondContact O-N 3.01Å; D532-I656 VanDerWaalsContact O-CD1 3.23Å; D532-I656 WeakPolarHBondContact O-CD1 3.44Å
533	T	76.3	Confident	86.5	Confident	20 Å²	20	34.7 Å²	34.7	12%	0.123	18%	0.182	C	C	.	.	S	Bend	trans	-73.9	148.5	177.5	-45.3	0	0	0	0	111.4	I529 E530 L535 S578 S579	I529-T533 HydrophobicContact CD1-CG2 4.3Å; I529-T533 HydrophobicContact CG1-CG2 4.25Å; E530-T533 WeakPolarHBondContact CA-OG1 3.38Å; E530-T533 WeakPolarHBondContact CB-OG1 3.31Å; E530-T533 PolarHBondContact N-OG1 2.97Å; E530-T533 WeakPolarHBondContact O-CB 3.42Å; E530-T533 PolarHBondContact O-N 3.05Å; E530-T533 VanDerWaalsContact O-N 3.13Å; E530-T533 PolarHBondContact O-OG1 3.21Å; T533-L535 PolarHBondContact O-N 3.48Å; T533-S578 WeakPolarHBondContact CG2-OG 3.4Å; T533-S578 WeakPolarHBondContact OG1-CB 3.19Å; T533-S579 WeakPolarHBondContact CG2-OG 3.41Å
534	C	75.1	Confident	86.3	Confident	59 Å²	59	33.9 Å²	33.9	40%	0.399	18%	0.177	S	C	.	.			trans	-59.1	134.3	171.9	-158	0	0	0	0	109.6	P536 C654 I656	C534-P536 WeakPolarHBondContact O-CD 3.37Å; C534-C654 WeakPolarHBondContact CA-SG 3.3Å; C534-C654 HydrophobicContact CB-CB 4.07Å; C534-C654 WeakPolarHBondContact CB-SG 3.35Å; C534-C654 WeakPolarHBondContact SG-CB 3.4Å; C534-C654 CovalentContact SG-SG 2.03Å; C534-C654 PolarHBondContact SG-SG 3.39Å; C534-I656 VanDerWaalsContact CA-CD1 3.46Å; C534-I656 HydrophobicContact CB-CD1 3.67Å
535	L	78.3	Confident	86.4	Confident	85 Å²	85	31.2 Å²	31.2	45%	0.445	17%	0.165	S	C	.	.			trans	-60.3	110	-176.5	-69.8	164.5	0	0	0	109.8	M463 L464 T533	M463-L535 HydrophobicContact CB-CD1 4.48Å; M463-L535 HydrophobicContact CB-CD2 4.5Å; L464-L535 VanDerWaalsContact CA-CD2 3.47Å; L464-L535 HydrophobicContact CB-CD2 4.12Å; L464-L535 HydrophobicContact CD1-CD2 4.05Å; T533-L535 PolarHBondContact O-N 3.48Å
536	P	79.8	Confident	86.1	Confident	20 Å²	20	36 Å²	36	13%	0.13	19%	0.187	C	C	.	.			trans	-72.5	146.6	179.9	30.9	-33.7	0	0	0	109.8	I529 C534 V541 L558	I529-P536 HydrophobicContact CD1-CG 3.99Å; C534-P536 WeakPolarHBondContact O-CD 3.37Å; P536-V541 HydrophobicContact CB-CG2 3.85Å; P536-V541 HydrophobicContact CG-CG2 3.8Å; P536-L558 HydrophobicContact CB-CD2 4Å
537	S	85.1	Confident	85.6	Confident	61 Å²	61	37.9 Å²	37.9	43%	0.427	20%	0.197	S	C	.	.			trans	-69.3	149.7	174.1	79	0	0	0	0	110.8	E539 S540 V541	S537-E539 WeakPolarHBondContact CB-OE2 3.38Å; S537-E539 PolarHBondContact O-N 3.5Å; S537-E539 PolarHBondContact OG-OE2 3.45Å; S537-S540 PolarHBondContact N-OG 3.28Å; S537-S540 PolarHBondContact O-N 3.38Å; S537-S540 VanDerWaalsContact O-N 3.08Å; S537-S540 PolarHBondContact O-OG 2.76Å; S537-S540 WeakPolarHBondContact OG-CB 3.38Å; S537-S540 PolarHBondContact OG-N 3.35Å; S537-S540 PolarHBondContact OG-OG 2.95Å; S537-V541 PolarHBondContact O-N 3.38Å
538	V	88.2	Confident	85.2	Confident	42 Å²	42	37.9 Å²	37.9	26%	0.255	20%	0.197	S	C	.	.	H	α-helix	trans	-57.2	-40.8	-179.6	175.2	0	0	0	0	111.2	S470 V471 S540 V541 E542	S470-V538 WeakPolarHBondContact OG-CG2 3.29Å; V471-V538 HydrophobicContact CG2-CB 4.48Å; V471-V538 HydrophobicContact CG2-CG1 4.11Å; V471-V538 HydrophobicContact CG2-CG2 4.42Å; V538-S540 VanDerWaalsContact C-N 3.33Å; V538-S540 PolarHBondContact O-N 3Å; V538-V541 PolarHBondContact O-N 3.37Å; V538-E542 PolarHBondContact O-N 3.22Å; V538-E542 VanDerWaalsContact O-N 3.07Å
539	E	86.8	Confident	84.6	Confident	127 Å²	127	38.1 Å²	38.1	59%	0.593	20%	0.199	S	C	*	.	H	α-helix	trans	-66.8	-35.3	-179.9	-57.4	73.8	-159.1	0	0	111.9	S537 R543	S537-E539 WeakPolarHBondContact CB-OE2 3.38Å; S537-E539 PolarHBondContact O-N 3.5Å; S537-E539 PolarHBondContact OG-OE2 3.45Å; E539-R543 VanDerWaalsContact O-CB 3.31Å; E539-R543 WeakPolarHBondContact O-CB 3.36Å; E539-R543 PolarHBondContact O-N 2.7Å
540	S	86.8	Confident	84	Confident	28 Å²	28	43.6 Å²	43.6	20%	0.196	22%	0.224	C	C	.	.	H	α-helix	trans	-68	-43.2	178.5	71.3	0	0	0	0	111.6	S537 V538 R543 A544	S537-S540 PolarHBondContact N-OG 3.28Å; S537-S540 PolarHBondContact O-N 3.38Å; S537-S540 VanDerWaalsContact O-N 3.08Å; S537-S540 PolarHBondContact O-OG 2.76Å; S537-S540 WeakPolarHBondContact OG-CB 3.38Å; S537-S540 PolarHBondContact OG-N 3.35Å; S537-S540 PolarHBondContact OG-OG 2.95Å; V538-S540 VanDerWaalsContact C-N 3.33Å; V538-S540 PolarHBondContact O-N 3Å; S540-R543 PolarHBondContact O-N 3.11Å; S540-A544 WeakPolarHBondContact O-CB 3.38Å; S540-A544 PolarHBondContact O-N 2.93Å
541	V	90.8	Very high	83.4	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-64.7	-44.1	177.5	-176.5	0	0	0	0	110.5	F448 V471 F527 P536 S537 V538 A544 F545 L558 F581	F448-V541 HydrophobicContact CE1-CG1 4.24Å; F448-V541 HydrophobicContact CE2-CG1 4.36Å; F448-V541 HydrophobicContact CZ-CG1 3.62Å; V471-V541 HydrophobicContact CG1-CB 4.41Å; V471-V541 HydrophobicContact CG1-CG1 4.07Å; V471-V541 HydrophobicContact CG2-CB 4.07Å; V471-V541 HydrophobicContact CG2-CG1 4.15Å; V471-V541 HydrophobicContact CG2-CG2 4.4Å; F527-V541 HydrophobicContact CD1-CG1 4.45Å; F527-V541 HydrophobicContact CE1-CG1 4.37Å; F527-V541 HydrophobicContact CE1-CG2 4.5Å; F527-V541 HydrophobicContact CZ-CG2 4.47Å; P536-V541 HydrophobicContact CB-CG2 3.85Å; P536-V541 HydrophobicContact CG-CG2 3.8Å; S537-V541 PolarHBondContact O-N 3.38Å; V538-V541 PolarHBondContact O-N 3.37Å; V541-A544 PolarHBondContact O-N 3.34Å; V541-F545 WeakPolarHBondContact O-CB 3.13Å; V541-F545 PolarHBondContact O-N 2.92Å; V541-L558 HydrophobicContact CB-CD2 4.38Å; V541-L558 HydrophobicContact CG2-CD2 3.78Å; V541-F581 HydrophobicContact CG1-CE2 4.14Å; V541-F581 HydrophobicContact CG1-CZ 3.92Å
542	E	89.8	Confident	83.2	Confident	36 Å²	36	44.7 Å²	44.7	17%	0.168	23%	0.231	C	C	.	.	H	α-helix	trans	-64.8	-43.8	179.9	-162.2	71.4	-168.4	0	0	111.4	V471 S473 V538 A544 F545 E546	V471-E542 WeakPolarHBondContact CG1-OE2 3.09Å; S473-E542 VanDerWaalsContact CB-OE1 3.32Å; S473-E542 WeakPolarHBondContact CB-OE1 3.38Å; S473-E542 WeakPolarHBondContact CB-OE2 3.39Å; S473-E542 PolarHBondContact N-OE2 2.79Å; S473-E542 PolarHBondContact OG-OE1 3.37Å; S473-E542 PolarHBondContact OG-OE2 2.87Å; V538-E542 PolarHBondContact O-N 3.22Å; V538-E542 VanDerWaalsContact O-N 3.07Å; E542-A544 PolarHBondContact O-N 3.16Å; E542-F545 WeakPolarHBondContact O-CB 3.04Å; E542-F545 PolarHBondContact O-N 3.35Å; E542-E546 WeakPolarHBondContact O-CG 3.48Å; E542-E546 PolarHBondContact O-N 3.03Å
543	R	86.6	Confident	82.9	Confident	139 Å²	139	45.1 Å²	45.1	53%	0.525	23%	0.232	S	C	.	.	H	α-helix	trans	-62.1	-42.1	175.8	-174	-173.1	-60.9	162.2	3	112.1	E539 S540 F545 E546 L547 S629	E539-R543 VanDerWaalsContact O-CB 3.31Å; E539-R543 WeakPolarHBondContact O-CB 3.36Å; E539-R543 PolarHBondContact O-N 2.7Å; S540-R543 PolarHBondContact O-N 3.11Å; R543-F545 VanDerWaalsContact C-N 3.32Å; R543-E546 PolarHBondContact O-N 2.97Å; R543-L547 WeakPolarHBondContact O-CB 3.38Å; R543-L547 PolarHBondContact O-N 2.95Å; R543-S629 WeakPolarHBondContact CD-O 3.5Å
544	A	88.5	Confident	82.8	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.2	-39.4	176.5	0	0	0	0	0	111.9	S540 V541 E542 L547 W548 V556 L558 F581	S540-A544 WeakPolarHBondContact O-CB 3.38Å; S540-A544 PolarHBondContact O-N 2.93Å; V541-A544 PolarHBondContact O-N 3.34Å; E542-A544 PolarHBondContact O-N 3.16Å; A544-L547 PolarHBondContact O-N 3.14Å; A544-W548 WeakPolarHBondContact O-CB 3.41Å; A544-W548 PolarHBondContact O-N 3.02Å; A544-V556 HydrophobicContact CB-CG1 4.26Å; A544-L558 HydrophobicContact CB-CD1 3.36Å; A544-L558 HydrophobicContact CB-CG 3.8Å; A544-F581 HydrophobicContact CB-CD2 3.8Å; A544-F581 HydrophobicContact CB-CE2 3.73Å
545	F	90.4	Very high	83.1	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-42.1	174.1	176.2	-117.8	0	0	0	112.2	P444 F448 A525 V541 E542 R543 L547 W548 C549 F581	P444-F545 HydrophobicContact CB-CE1 4.38Å; F448-F545 HydrophobicContact CB-CD2 4.05Å; F448-F545 HydrophobicContact CB-CE2 3.95Å; F448-F545 HydrophobicContact CD1-CB 4.27Å; F448-F545 HydrophobicContact CD1-CD1 4.24Å; F448-F545 AromaticContact CD1-CD2 3.78Å; F448-F545 HydrophobicContact CD1-CD2 3.78Å; F448-F545 HydrophobicContact CD1-CE2 4.18Å; F448-F545 AromaticContact CD1-CG 3.81Å; F448-F545 HydrophobicContact CD1-CG 3.81Å; F448-F545 HydrophobicContact CE1-CB 4.4Å; F448-F545 HydrophobicContact CE1-CG 4.35Å; F448-F545 HydrophobicContact CG-CD2 4.27Å; A525-F545 HydrophobicContact CB-CD2 4.08Å; A525-F545 HydrophobicContact CB-CE2 3.58Å; V541-F545 WeakPolarHBondContact O-CB 3.13Å; V541-F545 PolarHBondContact O-N 2.92Å; E542-F545 WeakPolarHBondContact O-CB 3.04Å; E542-F545 PolarHBondContact O-N 3.35Å; R543-F545 VanDerWaalsContact C-N 3.32Å; F545-L547 VanDerWaalsContact C-N 3.33Å; F545-L547 PolarHBondContact O-N 3.23Å; F545-W548 HydrophobicContact CD2-CE3 4.25Å; F545-W548 HydrophobicContact CE2-CE3 4.02Å; F545-W548 HydrophobicContact CE2-CZ3 4.28Å; F545-W548 PolarHBondContact O-N 3.46Å; F545-C549 VanDerWaalsContact CZ-SG 3.51Å; F545-C549 PolarHBondContact O-N 2.87Å; F545-C549 PolarHBondContact O-SG 3.16Å; F545-F581 HydrophobicContact CB-CE1 3.9Å; F545-F581 HydrophobicContact CB-CE2 4.3Å; F545-F581 HydrophobicContact CB-CZ 3.7Å; F545-F581 HydrophobicContact CD2-CD1 4.3Å; F545-F581 AromaticContact CD2-CE1 3.8Å; F545-F581 HydrophobicContact CD2-CE1 3.8Å; F545-F581 HydrophobicContact CD2-CZ 4.46Å; F545-F581 HydrophobicContact CG-CE1 4.26Å; F545-F581 HydrophobicContact CG-CZ 4.5Å
546	E	86	Confident	83.4	Confident	101 Å²	101	39 Å²	39	47%	0.472	19%	0.192	S	C	.	.	H	α-helix	trans	-62.1	-40.9	174.7	-74	-178.3	171.4	0	0	112.1	E542 R543 W548 C549 Q550	E542-E546 WeakPolarHBondContact O-CG 3.48Å; E542-E546 PolarHBondContact O-N 3.03Å; R543-E546 PolarHBondContact O-N 2.97Å; E546-W548 VanDerWaalsContact C-N 3.35Å; E546-C549 WeakPolarHBondContact O-CB 3.46Å; E546-C549 PolarHBondContact O-N 3.34Å; E546-Q550 WeakPolarHBondContact O-CG 3.33Å; E546-Q550 PolarHBondContact O-N 2.89Å
547	L	82.6	Confident	83.5	Confident	38 Å²	38	38.3 Å²	38.3	20%	0.199	19%	0.188	C	C	.	.	H	α-helix	trans	-64.8	-39.6	175.3	-177.7	59.4	0	0	0	111.6	R543 A544 F545 Q550 N551 V556 L627 S628	R543-L547 WeakPolarHBondContact O-CB 3.38Å; R543-L547 PolarHBondContact O-N 2.95Å; A544-L547 PolarHBondContact O-N 3.14Å; F545-L547 VanDerWaalsContact C-N 3.33Å; F545-L547 PolarHBondContact O-N 3.23Å; L547-Q550 PolarHBondContact O-N 3.46Å; L547-N551 PolarHBondContact O-N 3.21Å; L547-N551 PolarHBondContact O-ND2 3.3Å; L547-V556 HydrophobicContact CB-CG1 4.2Å; L547-V556 HydrophobicContact CD2-CG1 3.77Å; L547-V556 HydrophobicContact CG-CG1 4.06Å; L547-V556 HydrophobicContact CG-CG2 4.42Å; L547-L627 HydrophobicContact CD1-CD1 4.31Å; L547-L627 HydrophobicContact CD2-CB 4.12Å; L547-L627 HydrophobicContact CG-CD1 4.36Å; L547-S628 WeakPolarHBondContact CD2-O 3.28Å
548	W	86.5	Confident	83.3	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.6	-38.7	172.5	179	84.7	0	0	0	111.6	A442 E524 A525 A544 F545 E546 Q550 N551 P552 V556 F581 H583	A442-W548 HydrophobicContact CB-CE3 4.41Å; A442-W548 HydrophobicContact CB-CH2 4.03Å; A442-W548 HydrophobicContact CB-CZ3 3.55Å; E524-W548 HydrophobicContact CB-CH2 4.07Å; A525-W548 HydrophobicContact CB-CD2 4.1Å; A525-W548 HydrophobicContact CB-CE3 3.65Å; A525-W548 HydrophobicContact CB-CH2 3.61Å; A525-W548 HydrophobicContact CB-CZ2 4.03Å; A525-W548 HydrophobicContact CB-CZ3 3.43Å; A525-W548 VanDerWaalsContact CB-CZ3 3.43Å; A544-W548 WeakPolarHBondContact O-CB 3.41Å; A544-W548 PolarHBondContact O-N 3.02Å; F545-W548 HydrophobicContact CD2-CE3 4.25Å; F545-W548 HydrophobicContact CE2-CE3 4.02Å; F545-W548 HydrophobicContact CE2-CZ3 4.28Å; F545-W548 PolarHBondContact O-N 3.46Å; E546-W548 VanDerWaalsContact C-N 3.35Å; W548-Q550 PolarHBondContact O-N 3.01Å; W548-Q550 VanDerWaalsContact O-N 3.13Å; W548-N551 CarbonylContact O-C 3.46Å; W548-N551 PolarHBondContact O-N 3.41Å; W548-P552 HydrophobicContact CH2-CB 4.16Å; W548-P552 HydrophobicContact CZ2-CB 3.96Å; W548-P552 PolarHBondContact NE1-O 2.96Å; W548-P552 WeakPolarHBondContact O-CA 3.28Å; W548-V556 HydrophobicContact CB-CB 4.32Å; W548-V556 HydrophobicContact CB-CG2 3.86Å; W548-V556 HydrophobicContact CG-CG2 4.49Å; W548-F581 HydrophobicContact CB-CB 4.04Å; W548-F581 HydrophobicContact CB-CG 4.44Å; W548-F581 HydrophobicContact CG-CB 4.01Å; W548-H583 HydrophobicContact CZ2-CB 3.98Å; W548-H583 AromaticContact CZ2-CD2 3.69Å
549	C	82	Confident	82.2	Confident	6 Å²	6	36 Å²	36	4%	0.041	17%	0.172	C	C	.	.	H	α-helix	trans	-61.4	-25.6	177.3	-70	0	0	0	0	113.1	A442 F545 E546	A442-C549 HydrophobicContact CB-CB 4.39Å; A442-C549 PolarHBondContact N-O 2.88Å; F545-C549 VanDerWaalsContact CZ-SG 3.51Å; F545-C549 PolarHBondContact O-N 2.87Å; F545-C549 PolarHBondContact O-SG 3.16Å; E546-C549 WeakPolarHBondContact O-CB 3.46Å; E546-C549 PolarHBondContact O-N 3.34Å
550	Q	76.1	Confident	80.6	Confident	115 Å²	115	35.2 Å²	35.2	54%	0.537	17%	0.172	S	C	.	.	H	α-helix	trans	-86.2	-17	175.3	-63.7	174.3	22.8	0	0	113.2	E546 L547 W548	E546-Q550 WeakPolarHBondContact O-CG 3.33Å; E546-Q550 PolarHBondContact O-N 2.89Å; L547-Q550 PolarHBondContact O-N 3.46Å; W548-Q550 PolarHBondContact O-N 3.01Å; W548-Q550 VanDerWaalsContact O-N 3.13Å
551	N	74.8	Confident	78.7	Confident	22 Å²	22	40.8 Å²	40.8	12%	0.118	20%	0.195	C	C	.	.			trans	-142.7	59.7	-176.2	-52.5	-97	0	0	0	110.2	L547 W548 E553 R554 L627	L547-N551 PolarHBondContact O-N 3.21Å; L547-N551 PolarHBondContact O-ND2 3.3Å; W548-N551 CarbonylContact O-C 3.46Å; W548-N551 PolarHBondContact O-N 3.41Å; N551-E553 WeakPolarHBondContact CA-OE2 3.48Å; N551-E553 PolarHBondContact O-N 3.49Å; N551-E553 VanDerWaalsContact O-N 3.12Å; N551-R554 HydrophobicContact CB-CB 4.23Å; N551-R554 HydrophobicContact CB-CG 4.31Å; N551-R554 PolarHBondContact O-N 2.05Å; N551-L627 HydrophobicContact CB-CD1 3.72Å; N551-L627 VanDerWaalsContact CG-CD1 3.45Å
552	P	78.9	Confident	76.3	Confident	7 Å²	7	43.7 Å²	43.7	5%	0.045	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.8	-172.4	26	-35.4	0	0	0	113.5	Y438 A442 W548 R554	Y438-P552 HydrophobicContact CD1-CB 4.35Å; A442-P552 HydrophobicContact CB-CB 4.48Å; W548-P552 HydrophobicContact CH2-CB 4.16Å; W548-P552 HydrophobicContact CZ2-CB 3.96Å; W548-P552 PolarHBondContact NE1-O 2.96Å; W548-P552 WeakPolarHBondContact O-CA 3.28Å; P552-R554 VanDerWaalsContact C-N 3.3Å
553	E	71.6	Confident	73.9	Confident	41 Å²	41	46.7 Å²	46.7	19%	0.192	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-6.1	176.5	79.5	-69.9	174.2	0	0	114.4	Y438 N551 Y586 S621 Q624	Y438-E553 HydrophobicContact CD1-CB 4.36Å; Y438-E553 HydrophobicContact CD2-CB 4.22Å; Y438-E553 HydrophobicContact CE1-CB 3.95Å; Y438-E553 HydrophobicContact CE2-CB 3.87Å; Y438-E553 HydrophobicContact CG-CB 4.48Å; N551-E553 WeakPolarHBondContact CA-OE2 3.48Å; N551-E553 PolarHBondContact O-N 3.49Å; N551-E553 VanDerWaalsContact O-N 3.12Å; E553-Y586 PolarHBondContact O-OH 3.4Å; E553-S621 WeakPolarHBondContact O-CB 3.32Å; E553-Q624 PolarHBondContact OE1-OE1 3.47Å
554	R	74.8	Confident	71.6	Confident	31 Å²	31	42.3 Å²	42.3	12%	0.117	22%	0.215	C	C	.	.	S	Bend	trans	-112.3	158.5	-176.3	-65.7	-171.6	-178.3	-149	-10.1	113.1	N551 P552 Q624 L627	N551-R554 HydrophobicContact CB-CB 4.23Å; N551-R554 HydrophobicContact CB-CG 4.31Å; N551-R554 PolarHBondContact O-N 2.05Å; P552-R554 VanDerWaalsContact C-N 3.3Å; R554-Q624 HydrophobicContact CG-CB 4.19Å; R554-L627 HydrophobicContact CB-CD1 4.49Å
555	L	80.9	Confident	68.9	Low	4 Å²	4	48.4 Å²	48.4	2%	0.021	25%	0.247	C	C	.	.			trans	-74.8	131.8	160.8	-71.4	165.2	0	0	0	110	V580 F581 F582 Y614 I617 I618 V626 L627	L555-V580 HydrophobicContact CB-CG1 4.18Å; L555-V580 HydrophobicContact CD2-CG1 3.49Å; L555-V580 VanDerWaalsContact CD2-CG1 3.49Å; L555-V580 HydrophobicContact CG-CG1 4.41Å; L555-F581 WeakPolarHBondContact CA-O 3.44Å; L555-F582 HydrophobicContact CD2-CB 3.74Å; L555-F582 HydrophobicContact CD2-CD1 4.4Å; L555-F582 HydrophobicContact CD2-CG 4.44Å; L555-Y614 HydrophobicContact CD1-CD1 4.33Å; L555-Y614 HydrophobicContact CD1-CG 4.38Å; L555-Y614 WeakPolarHBondContact CD1-O 3.5Å; L555-Y614 HydrophobicContact CD2-CD1 3.71Å; L555-Y614 HydrophobicContact CD2-CE1 4.28Å; L555-Y614 HydrophobicContact CD2-CG 4.49Å; L555-I617 HydrophobicContact CD1-CB 3.98Å; L555-I617 HydrophobicContact CD1-CG2 3.83Å; L555-I617 HydrophobicContact CD2-CB 4.37Å; L555-I617 HydrophobicContact CD2-CD1 3.79Å; L555-I617 HydrophobicContact CD2-CG2 4.03Å; L555-I617 HydrophobicContact CG-CB 4.18Å; L555-I617 HydrophobicContact CG-CG2 3.58Å; L555-I618 HydrophobicContact CD1-CD1 4.27Å; L555-I618 HydrophobicContact CD1-CG1 3.8Å; L555-V626 HydrophobicContact CB-CB 4.42Å; L555-V626 HydrophobicContact CB-CG1 4.01Å; L555-V626 HydrophobicContact CB-CG2 4.07Å; L555-V626 HydrophobicContact CD1-CG2 4.12Å; L555-L627 PolarHBondContact O-N 2.89Å
556	V	83.6	Confident	66.1	Low	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	115.6	172.5	-177.6	0	0	0	0	109.6	A544 L547 W548 V580 F581 L627	A544-V556 HydrophobicContact CB-CG1 4.26Å; L547-V556 HydrophobicContact CB-CG1 4.2Å; L547-V556 HydrophobicContact CD2-CG1 3.77Å; L547-V556 HydrophobicContact CG-CG1 4.06Å; L547-V556 HydrophobicContact CG-CG2 4.42Å; W548-V556 HydrophobicContact CB-CB 4.32Å; W548-V556 HydrophobicContact CB-CG2 3.86Å; W548-V556 HydrophobicContact CG-CG2 4.49Å; V556-V580 CarbonylContact O-C 3.42Å; V556-V580 WeakPolarHBondContact O-CA 3.41Å; V556-F581 HydrophobicContact CB-CB 4.14Å; V556-F581 PolarHBondContact N-O 2.95Å; V556-F581 PolarHBondContact O-N 3.04Å; V556-L627 CarbonylContact C-O 3.58Å; V556-L627 WeakPolarHBondContact CA-O 3.44Å; V556-L627 HydrophobicContact CG2-CB 4.23Å; V556-L627 HydrophobicContact CG2-CD1 4.47Å
557	S	83.6	Confident	63.5	Low	5 Å²	5	54 Å²	54	4%	0.035	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	149.9	177.5	-173	0	0	0	0	112	S559 L627 S629	S557-S559 PolarHBondContact OG-N 2.93Å; S557-S559 PolarHBondContact OG-OG 2.82Å; S557-L627 PolarHBondContact N-O 3.26Å; S557-S629 PolarHBondContact O-N 2.71Å; S557-S629 VanDerWaalsContact O-N 3.1Å; S557-S629 PolarHBondContact O-OG 3.11Å
558	L	80.3	Confident	61	Low	20 Å²	20	58.8 Å²	58.8	11%	0.105	30%	0.298	C	S	.	.	S	Bend	trans	-90.6	-20.6	172.9	-81.5	65.5	0	0	0	113	F527 P536 V541 A544 S579 F581	F527-L558 HydrophobicContact CD2-CD1 4.34Å; F527-L558 HydrophobicContact CE2-CD1 3.59Å; F527-L558 HydrophobicContact CE2-CD2 3.79Å; F527-L558 HydrophobicContact CE2-CG 4.33Å; F527-L558 HydrophobicContact CZ-CD1 4.39Å; F527-L558 HydrophobicContact CZ-CD2 3.72Å; P536-L558 HydrophobicContact CB-CD2 4Å; V541-L558 HydrophobicContact CB-CD2 4.38Å; V541-L558 HydrophobicContact CG2-CD2 3.78Å; A544-L558 HydrophobicContact CB-CD1 3.36Å; A544-L558 HydrophobicContact CB-CG 3.8Å; L558-S579 PolarHBondContact N-O 3.26Å; L558-F581 HydrophobicContact CD1-CD2 3.84Å; L558-F581 HydrophobicContact CD1-CE2 3.95Å
559	S	65.7	Low	58.6	Low	35 Å²	35	66.5 Å²	66.5	25%	0.245	34%	0.34	C	S	.	.			trans	-95.3	129.7	-171.7	61.8	0	0	0	0	113	S557 Q561	S557-S559 PolarHBondContact OG-N 2.93Å; S557-S559 PolarHBondContact OG-OG 2.82Å; S559-Q561 PolarHBondContact O-N 2.94Å
560	D	52.3	Low	56.5	Low	111 Å²	111	74 Å²	74	59%	0.594	38%	0.379	S	S	*	.			trans	-67.6	-13.6	168	-100.2	-21	0	0	0	113.8	S562 S630	D560-S562 PolarHBondContact O-N 3.37Å; D560-S630 WeakPolarHBondContact CA-OG 3.11Å; D560-S630 PolarHBondContact N-OG 2.79Å; D560-S630 WeakPolarHBondContact OD1-CB 3.48Å; D560-S630 PolarHBondContact OD1-OG 3.16Å; D560-S630 WeakPolarHBondContact OD2-CB 3.32Å
561	Q	46.8	Very low	54.4	Low	145 Å²	145	76.4 Å²	76.4	68%	0.678	39%	0.391	S	S	*	.	S	Bend	trans	-65.6	83.8	-176.2	-69.6	-172.5	3.7	0	0	110	S559 I563	S559-Q561 PolarHBondContact O-N 2.94Å; Q561-I563 PolarHBondContact O-N 3.49Å
562	S	41.2	Very low	52.3	Low	61 Å²	61	79.8 Å²	79.8	43%	0.427	42%	0.416	S	S	.	.			trans	28.4	91.2	160.1	55.5	0	0	0	0	113.3	D560 W564	D560-S562 PolarHBondContact O-N 3.37Å; S562-W564 PolarHBondContact O-N 2.94Å
563	I	38.7	Very low	50.2	Low	99 Å²	99	83.7 Å²	83.7	51%	0.508	43%	0.432	S	S	.	.	S	Bend	trans	-29.2	98.9	134.9	-57.6	169.1	0	0	0	107.2	Q561 N565	Q561-I563 PolarHBondContact O-N 3.49Å; I563-N565 PolarHBondContact O-N 3.3Å; I563-N565 VanDerWaalsContact O-N 3.13Å
564	W	38.2	Very low	48.4	Very low	47 Å²	47	84.9 Å²	84.9	18%	0.178	45%	0.446	C	S	.	.			trans	33.4	68.8	157.4	-53.1	104.5	0	0	0	116.6	S562 L566 F577 I611 G691 A692 L693	S562-W564 PolarHBondContact O-N 2.94Å; W564-L566 PolarHBondContact O-N 2.96Å; W564-F577 AromaticContact CE2-CE2 3.71Å; W564-F577 AromaticContact CE2-CZ 3.81Å; W564-F577 HydrophobicContact CH2-CE2 4.41Å; W564-F577 AromaticContact CZ2-CE2 3.55Å; W564-F577 HydrophobicContact CZ2-CE2 3.55Å; W564-F577 HydrophobicContact CZ2-CZ 4.09Å; W564-F577 AromaticContact NE1-CE2 3.83Å; W564-F577 AromaticContact NE1-CZ 3.42Å; W564-I611 HydrophobicContact CH2-CG2 4.11Å; W564-G691 VanDerWaalsContact CE2-O 3.27Å; W564-G691 WeakPolarHBondContact CZ2-O 3.38Å; W564-G691 PolarHBondContact NE1-O 3.25Å; W564-A692 HydrophobicContact CH2-CB 3.64Å; W564-A692 VanDerWaalsContact CZ2-CA 3.47Å; W564-A692 HydrophobicContact CZ2-CB 4.15Å; W564-A692 VanDerWaalsContact CZ3-CA 3.48Å; W564-A692 HydrophobicContact CZ3-CB 3.9Å; W564-A692 WeakPolarHBondContact CZ3-O 3.44Å; W564-L693 WeakPolarHBondContact CB-O 3.32Å
565	N	32.2	Very low	46.8	Very low	128 Å²	128	84.5 Å²	84.5	68%	0.684	45%	0.449	S	S	*	.			trans	-75.7	75.9	164.8	-84.3	-27.4	0	0	0	109.6	I563 F567 F573	I563-N565 PolarHBondContact O-N 3.3Å; I563-N565 VanDerWaalsContact O-N 3.13Å; N565-F567 PolarHBondContact O-N 3.4Å; N565-F573 WeakPolarHBondContact O-CE1 3.07Å
566	L	31.3	Very low	45.2	Very low	56 Å²	56	86.6 Å²	86.6	29%	0.293	46%	0.464	S	S	.	.			trans	-84.8	75.6	173.2	-163.3	113.4	0	0	0	111.9	W564 F573 L693	W564-L566 PolarHBondContact O-N 2.96Å; L566-F573 HydrophobicContact CD1-CD2 4.4Å; L566-F573 HydrophobicContact CD1-CE1 4.21Å; L566-F573 HydrophobicContact CD1-CE2 4.02Å; L566-F573 HydrophobicContact CD1-CZ 3.93Å; L566-F573 HydrophobicContact CG-CE1 4.32Å; L566-F573 HydrophobicContact CG-CZ 4.1Å; L566-L693 HydrophobicContact CB-CB 4.12Å; L566-L693 HydrophobicContact CB-CD2 3.5Å; L566-L693 HydrophobicContact CB-CG 4.25Å; L566-L693 HydrophobicContact CD1-CD2 3.22Å; L566-L693 HydrophobicContact CD2-CD1 3.91Å; L566-L693 HydrophobicContact CD2-CD2 3.31Å; L566-L693 HydrophobicContact CD2-CG 4.22Å; L566-L693 HydrophobicContact CG-CD2 3.39Å; L566-L693 HydrophobicContact CG-CG 4.49Å
567	F	30.4	Very low	44	Very low	164 Å²	164	87.5 Å²	87.5	72%	0.719	47%	0.468	S	S	*	.			trans	-153.9	96.1	160.1	-74.7	-74.3	0	0	0	109.7	N565	N565-F567 PolarHBondContact O-N 3.4Å
568	D	30.1	Very low	43.1	Very low	137 Å²	137	87.8 Å²	87.8	73%	0.733	47%	0.47	S	S	*	.				-179.7	142	122.6	-95.2	-20.4	0	0	0	110.8	N570	D568-N570 PolarHBondContact O-N 3.14Å
569	N	38.1	Very low	43.4	Very low	162 Å²	162	87.2 Å²	87.2	87%	0.866	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	17.9	-157.4	-92.1	-14	0	0	0	118.6
570	N	36	Very low	44.5	Very low	163 Å²	163	85.6 Å²	85.6	87%	0.872	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-161.6	16	179.6	-96.1	-25.2	0	0	0	117.8	D568	D568-N570 PolarHBondContact O-N 3.14Å
571	Q	32.1	Very low	46.3	Very low	167 Å²	167	80.3 Å²	80.3	78%	0.78	43%	0.428	S	S	*	.			trans	-127.4	137	-179.4	-67.8	-173.1	-2.9	0	0	113.9	F573	Q571-F573 WeakPolarHBondContact O-CE2 3.36Å
572	S	31	Very low	48.4	Very low	92 Å²	92	73.4 Å²	73.4	64%	0.643	40%	0.396	S	S	*	.			trans	-65.9	125.7	-174.6	48.8	0	0	0	0	112.9
573	F	35.1	Very low	50.6	Low	89 Å²	89	70.6 Å²	70.6	39%	0.39	38%	0.376	S	S	.	.			trans	-82.9	141.4	-175.3	-60.7	-84.9	0	0	0	113.1	N565 L566 Q571	N565-F573 WeakPolarHBondContact O-CE1 3.07Å; L566-F573 HydrophobicContact CD1-CD2 4.4Å; L566-F573 HydrophobicContact CD1-CE1 4.21Å; L566-F573 HydrophobicContact CD1-CE2 4.02Å; L566-F573 HydrophobicContact CD1-CZ 3.93Å; L566-F573 HydrophobicContact CG-CE1 4.32Å; L566-F573 HydrophobicContact CG-CZ 4.1Å; Q571-F573 WeakPolarHBondContact O-CE2 3.36Å
574	S	34.2	Very low	53	Low	67 Å²	67	69.2 Å²	69.2	47%	0.469	37%	0.366	S	S	.	.			trans	-116.9	129	169.7	62.6	0	0	0	0	108.6
575	A	42.2	Very low	55.2	Low	23 Å²	23	67.4 Å²	67.4	19%	0.19	36%	0.359	C	S	.	.			trans	-132.4	111.7	173.2	0	0	0	0	0	106.6	F577	A575-F577 HydrophobicContact CB-CD2 4.29Å; A575-F577 HydrophobicContact CB-CE2 4Å
576	S	46.9	Very low	57.7	Low	47 Å²	47	61.3 Å²	61.3	33%	0.329	33%	0.327	S	S	.	.			trans	-106.4	89.3	179	158.6	0	0	0	0	108.2	S578	S576-S578 PolarHBondContact O-N 2.87Å; S576-S578 PolarHBondContact OG-OG 2.9Å
577	F	57.7	Low	60.4	Low	19 Å²	19	58.7 Å²	58.7	8%	0.083	31%	0.313	C	S	.	.			trans	-88.6	42.7	170.1	-69.5	-78.8	0	0	0	111.3	W564 A575 S579 V580 Y614	W564-F577 AromaticContact CE2-CE2 3.71Å; W564-F577 AromaticContact CE2-CZ 3.81Å; W564-F577 HydrophobicContact CH2-CE2 4.41Å; W564-F577 AromaticContact CZ2-CE2 3.55Å; W564-F577 HydrophobicContact CZ2-CE2 3.55Å; W564-F577 HydrophobicContact CZ2-CZ 4.09Å; W564-F577 AromaticContact NE1-CE2 3.83Å; W564-F577 AromaticContact NE1-CZ 3.42Å; A575-F577 HydrophobicContact CB-CD2 4.29Å; A575-F577 HydrophobicContact CB-CE2 4Å; F577-S579 PolarHBondContact O-N 3.23Å; F577-V580 HydrophobicContact CB-CG2 4.13Å; F577-V580 HydrophobicContact CD1-CG2 4.44Å; F577-V580 WeakPolarHBondContact O-CG2 3.25Å; F577-Y614 HydrophobicContact CB-CD2 3.45Å; F577-Y614 VanDerWaalsContact CB-CD2 3.45Å; F577-Y614 HydrophobicContact CB-CE2 3.36Å; F577-Y614 HydrophobicContact CG-CD2 4.02Å; F577-Y614 HydrophobicContact CG-CE2 4.37Å; F577-Y614 WeakPolarHBondContact O-CE2 3.24Å; F577-Y614 PolarHBondContact O-OH 3.17Å
578	S	65.6	Low	62.9	Low	12 Å²	12	55.3 Å²	55.3	8%	0.084	30%	0.299	C	S	.	.			trans	-68.4	-35.3	-172.2	52.7	0	0	0	0	112.1	I529 T533 S576	I529-S578 WeakPolarHBondContact CA-O 3.43Å; T533-S578 WeakPolarHBondContact CG2-OG 3.4Å; T533-S578 WeakPolarHBondContact OG1-CB 3.19Å; S576-S578 PolarHBondContact O-N 2.87Å; S576-S578 PolarHBondContact OG-OG 2.9Å
579	S	84.8	Confident	65.1	Low	8 Å²	8	50.2 Å²	50.2	6%	0.056	27%	0.272	C	S	.	.	S	Bend	trans	-115.6	99.1	-176.1	-64	0	0	0	0	113.3	S528 I529 T533 L558 F577	S528-S579 WeakPolarHBondContact O-CA 3.19Å; I529-S579 WeakPolarHBondContact CD1-OG 3.44Å; T533-S579 WeakPolarHBondContact CG2-OG 3.41Å; L558-S579 PolarHBondContact N-O 3.26Å; F577-S579 PolarHBondContact O-N 3.23Å
580	V	88.9	Confident	67	Low	1 Å²	1	42.7 Å²	42.7	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	138.4	-172.2	-176.1	0	0	0	0	112.5	S528 L555 V556 F577 Y614	S528-V580 PolarHBondContact N-O 3.09Å; S528-V580 PolarHBondContact O-N 3.1Å; L555-V580 HydrophobicContact CB-CG1 4.18Å; L555-V580 HydrophobicContact CD2-CG1 3.49Å; L555-V580 VanDerWaalsContact CD2-CG1 3.49Å; L555-V580 HydrophobicContact CG-CG1 4.41Å; V556-V580 CarbonylContact O-C 3.42Å; V556-V580 WeakPolarHBondContact O-CA 3.41Å; F577-V580 HydrophobicContact CB-CG2 4.13Å; F577-V580 HydrophobicContact CD1-CG2 4.44Å; F577-V580 WeakPolarHBondContact O-CG2 3.25Å; V580-Y614 HydrophobicContact CB-CE1 4.01Å; V580-Y614 HydrophobicContact CG1-CD1 4.43Å; V580-Y614 HydrophobicContact CG1-CE1 4.08Å; V580-Y614 HydrophobicContact CG2-CE1 4.33Å; V580-Y614 HydrophobicContact CG2-CE2 4.05Å
581	F	91.5	Very high	69.1	Low	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	137.4	168	-80.6	-87.9	0	0	0	112	F448 I526 F527 V541 A544 F545 W548 L555 V556 L558	F448-F581 HydrophobicContact CB-CE1 3.99Å; F448-F581 AromaticContact CD1-CE1 3.88Å; F448-F581 HydrophobicContact CD1-CE1 3.88Å; F448-F581 HydrophobicContact CD1-CZ 4.15Å; F448-F581 AromaticContact CD2-CE1 3.79Å; F448-F581 HydrophobicContact CD2-CE1 3.79Å; F448-F581 HydrophobicContact CD2-CZ 4.17Å; F448-F581 HydrophobicContact CE1-CE1 4.28Å; F448-F581 HydrophobicContact CE1-CZ 4.08Å; F448-F581 HydrophobicContact CE2-CE1 4.19Å; F448-F581 HydrophobicContact CE2-CZ 4.1Å; F448-F581 AromaticContact CG-CE1 3.63Å; F448-F581 HydrophobicContact CG-CE1 3.63Å; F448-F581 HydrophobicContact CG-CZ 4.2Å; F448-F581 HydrophobicContact CZ-CE1 4.43Å; F448-F581 HydrophobicContact CZ-CZ 4.07Å; I526-F581 VanDerWaalsContact O-CA 3.27Å; I526-F581 WeakPolarHBondContact O-CA 3.34Å; F527-F581 HydrophobicContact CB-CD1 3.97Å; F527-F581 HydrophobicContact CB-CE1 3.57Å; F527-F581 HydrophobicContact CB-CE2 4.24Å; F527-F581 HydrophobicContact CB-CG 4.48Å; F527-F581 HydrophobicContact CB-CZ 3.7Å; F527-F581 HydrophobicContact CD2-CD1 4.37Å; F527-F581 AromaticContact CD2-CD2 3.56Å; F527-F581 HydrophobicContact CD2-CD2 3.56Å; F527-F581 HydrophobicContact CD2-CE1 4.22Å; F527-F581 AromaticContact CD2-CE2 3.34Å; F527-F581 HydrophobicContact CD2-CE2 3.34Å; F527-F581 HydrophobicContact CD2-CG 4.07Å; F527-F581 AromaticContact CD2-CZ 3.7Å; F527-F581 HydrophobicContact CD2-CZ 3.7Å; F527-F581 HydrophobicContact CE2-CD2 4.17Å; F527-F581 AromaticContact CE2-CE2 3.9Å; F527-F581 HydrophobicContact CE2-CE2 3.9Å; F527-F581 HydrophobicContact CG-CD2 4.41Å; F527-F581 HydrophobicContact CG-CE1 4.16Å; F527-F581 AromaticContact CG-CE2 3.93Å; F527-F581 HydrophobicContact CG-CE2 3.93Å; F527-F581 AromaticContact CG-CZ 3.78Å; F527-F581 HydrophobicContact CG-CZ 3.78Å; V541-F581 HydrophobicContact CG1-CE2 4.14Å; V541-F581 HydrophobicContact CG1-CZ 3.92Å; A544-F581 HydrophobicContact CB-CD2 3.8Å; A544-F581 HydrophobicContact CB-CE2 3.73Å; F545-F581 HydrophobicContact CB-CE1 3.9Å; F545-F581 HydrophobicContact CB-CE2 4.3Å; F545-F581 HydrophobicContact CB-CZ 3.7Å; F545-F581 HydrophobicContact CD2-CD1 4.3Å; F545-F581 AromaticContact CD2-CE1 3.8Å; F545-F581 HydrophobicContact CD2-CE1 3.8Å; F545-F581 HydrophobicContact CD2-CZ 4.46Å; F545-F581 HydrophobicContact CG-CE1 4.26Å; F545-F581 HydrophobicContact CG-CZ 4.5Å; W548-F581 HydrophobicContact CB-CB 4.04Å; W548-F581 HydrophobicContact CB-CG 4.44Å; W548-F581 HydrophobicContact CG-CB 4.01Å; L555-F581 WeakPolarHBondContact CA-O 3.44Å; V556-F581 HydrophobicContact CB-CB 4.14Å; V556-F581 PolarHBondContact N-O 2.95Å; V556-F581 PolarHBondContact O-N 3.04Å; L558-F581 HydrophobicContact CD1-CD2 3.84Å; L558-F581 HydrophobicContact CD1-CE2 3.95Å
582	F	89.8	Confident	71.2	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	168.7	171.6	59.8	-92.8	0	0	0	111.7	L451 I526 L555 Y586 L587 F613 Y614 I617	L451-F582 HydrophobicContact CD2-CZ 4.49Å; I526-F582 HydrophobicContact CB-CD2 4.34Å; I526-F582 HydrophobicContact CB-CE2 3.98Å; I526-F582 HydrophobicContact CB-CZ 4.1Å; I526-F582 HydrophobicContact CD1-CE2 3.88Å; I526-F582 HydrophobicContact CD1-CZ 4.45Å; I526-F582 HydrophobicContact CG1-CE2 4.45Å; I526-F582 HydrophobicContact CG2-CE1 4.29Å; I526-F582 HydrophobicContact CG2-CE2 4.16Å; I526-F582 HydrophobicContact CG2-CZ 3.8Å; I526-F582 PolarHBondContact N-O 3.2Å; I526-F582 PolarHBondContact O-N 3.31Å; L555-F582 HydrophobicContact CD2-CB 3.74Å; L555-F582 HydrophobicContact CD2-CD1 4.4Å; L555-F582 HydrophobicContact CD2-CG 4.44Å; F582-Y586 HydrophobicContact CB-CD2 4.26Å; F582-Y586 HydrophobicContact CD2-CD2 4.43Å; F582-L587 HydrophobicContact CE2-CD2 3.77Å; F582-L587 HydrophobicContact CE2-CG 4.1Å; F582-L587 HydrophobicContact CZ-CD2 4.03Å; F582-F613 HydrophobicContact CD1-CE1 4.11Å; F582-F613 HydrophobicContact CD2-CE1 4.01Å; F582-F613 HydrophobicContact CD2-CZ 4.13Å; F582-F613 AromaticContact CE1-CE1 3.71Å; F582-F613 HydrophobicContact CE1-CE1 3.71Å; F582-F613 AromaticContact CE2-CE1 3.65Å; F582-F613 HydrophobicContact CE2-CE1 3.65Å; F582-F613 AromaticContact CE2-CZ 3.68Å; F582-F613 HydrophobicContact CE2-CZ 3.68Å; F582-F613 HydrophobicContact CG-CE1 4.25Å; F582-F613 AromaticContact CZ-CE1 3.49Å; F582-F613 HydrophobicContact CZ-CE1 3.49Å; F582-F613 VanDerWaalsContact CZ-CE1 3.49Å; F582-F613 AromaticContact CZ-CZ 3.92Å; F582-F613 HydrophobicContact CZ-CZ 3.92Å; F582-Y614 HydrophobicContact CD1-CE1 4.24Å; F582-Y614 HydrophobicContact CE1-CE1 4.25Å; F582-I617 HydrophobicContact CB-CD1 3.96Å; F582-I617 HydrophobicContact CD2-CD1 4.16Å; F582-I617 HydrophobicContact CG-CD1 3.99Å
583	H	88.3	Confident	72.9	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.009	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	140.4	178.4	-166.2	-83.4	0	0	0	113.2	F437 Y438 E524 W548 H585 Y586	F437-H583 PolarHBondContact O-CE1 2.93Å; F437-H583 PolarHBondContact O-NE2 3.27Å; Y438-H583 HydrophobicContact CE1-CB 4.17Å; E524-H583 CarbonylContact O-C 3.53Å; E524-H583 WeakPolarHBondContact O-CA 2.98Å; W548-H583 HydrophobicContact CZ2-CB 3.98Å; W548-H583 AromaticContact CZ2-CD2 3.69Å; H583-H585 AromaticContact CE1-CD2 3.82Å; H583-H585 AromaticContact CG-CD2 3.51Å; H583-H585 AromaticContact ND1-CD2 3Å; H583-H585 PolarHBondContact ND1-CD2 2.72Å; H583-H585 AromaticContact ND1-CG 3.54Å; H583-H585 PolarHBondContact ND1-N 2.9Å; H583-H585 VanDerWaalsContact ND1-N 3.13Å; H583-H585 PolarHBondContact O-N 2.89Å; H583-Y586 HydrophobicContact CB-CD2 4.14Å; H583-Y586 HydrophobicContact CB-CE2 4.14Å; H583-Y586 VanDerWaalsContact O-CD2 3.27Å; H583-Y586 WeakPolarHBondContact O-CD2 3.38Å; H583-Y586 PolarHBondContact O-N 3.26Å; H583-Y586 VanDerWaalsContact O-N 3.08Å
584	K	89.2	Confident	74.5	Confident	70 Å²	70	30.7 Å²	30.7	30%	0.304	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-28.2	-178.5	70.8	175	176.2	-171.8	0	115.3	T523 E524 I526 Y586 L587	T523-K584 WeakPolarHBondContact O-CD 3.11Å; E524-K584 PolarHBondContact O-N 2.8Å; I526-K584 HydrophobicContact CD1-CB 3.74Å; I526-K584 HydrophobicContact CG1-CB 4.16Å; K584-Y586 PolarHBondContact O-N 3.16Å; K584-L587 WeakPolarHBondContact O-CB 3.16Å; K584-L587 PolarHBondContact O-N 2.83Å; K584-L587 VanDerWaalsContact O-N 3.08Å
585	H	83.8	Confident	76.1	Confident	8 Å²	8	29.7 Å²	29.7	4%	0.037	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-27.2	-178.3	81.6	67.8	0	0	0	111.2	F437 Y438 H583 L587 H588 L589	F437-H585 HydrophobicContact CB-CB 4.13Å; F437-H585 HydrophobicContact CD2-CB 4.32Å; F437-H585 HydrophobicContact CG-CB 4.18Å; Y438-H585 AromaticContact CE1-CD2 3.35Å; Y438-H585 WeakPolarHBondContact CE1-CD2 3.23Å; Y438-H585 AromaticContact CE1-NE2 3.03Å; Y438-H585 WeakPolarHBondContact CE1-NE2 3.46Å; Y438-H585 AromaticContact CZ-CD2 3.75Å; Y438-H585 AromaticContact CZ-CE1 3.97Å; Y438-H585 AromaticContact CZ-NE2 3.09Å; Y438-H585 PolarHBondContact OH-CE1 2.88Å; Y438-H585 PolarHBondContact OH-NE2 2.81Å; H583-H585 AromaticContact CE1-CD2 3.82Å; H583-H585 AromaticContact CG-CD2 3.51Å; H583-H585 AromaticContact ND1-CD2 3Å; H583-H585 PolarHBondContact ND1-CD2 2.72Å; H583-H585 AromaticContact ND1-CG 3.54Å; H583-H585 PolarHBondContact ND1-N 2.9Å; H583-H585 VanDerWaalsContact ND1-N 3.13Å; H583-H585 PolarHBondContact O-N 2.89Å; H585-L587 PolarHBondContact O-N 3.09Å; H585-H588 WeakPolarHBondContact O-CB 3.33Å; H585-H588 PolarHBondContact O-N 3.27Å; H585-H588 VanDerWaalsContact O-N 3.08Å; H585-L589 VanDerWaalsContact ND1-CD1 3.32Å; H585-L589 WeakPolarHBondContact ND1-CD1 3.48Å; H585-L589 PolarHBondContact O-N 2.96Å
586	Y	84.4	Confident	77.4	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.5	-27.1	178.8	-69.2	-66.7	0	0	0	112.4	Y438 E553 F582 H583 K584 H588 L589 Y590 I617 T620 S621	Y438-Y586 PolarHBondContact OH-OH 3.48Å; E553-Y586 PolarHBondContact O-OH 3.4Å; F582-Y586 HydrophobicContact CB-CD2 4.26Å; F582-Y586 HydrophobicContact CD2-CD2 4.43Å; H583-Y586 HydrophobicContact CB-CD2 4.14Å; H583-Y586 HydrophobicContact CB-CE2 4.14Å; H583-Y586 VanDerWaalsContact O-CD2 3.27Å; H583-Y586 WeakPolarHBondContact O-CD2 3.38Å; H583-Y586 PolarHBondContact O-N 3.26Å; H583-Y586 VanDerWaalsContact O-N 3.08Å; K584-Y586 PolarHBondContact O-N 3.16Å; Y586-H588 VanDerWaalsContact C-N 3.3Å; Y586-H588 PolarHBondContact O-N 3.18Å; Y586-L589 HydrophobicContact CD1-CD1 3.99Å; Y586-L589 HydrophobicContact CE1-CD1 4.37Å; Y586-L589 PolarHBondContact O-N 2.85Å; Y586-Y590 WeakPolarHBondContact O-CB 3.49Å; Y586-Y590 PolarHBondContact O-N 2.66Å; Y586-I617 HydrophobicContact CD1-CB 4.15Å; Y586-I617 HydrophobicContact CD1-CD1 4.23Å; Y586-I617 HydrophobicContact CD1-CG1 3.57Å; Y586-I617 HydrophobicContact CD1-CG2 4.05Å; Y586-I617 HydrophobicContact CD2-CD1 3.82Å; Y586-I617 HydrophobicContact CD2-CG1 4.05Å; Y586-I617 HydrophobicContact CD2-CG2 4.1Å; Y586-I617 HydrophobicContact CE1-CB 4.17Å; Y586-I617 HydrophobicContact CE1-CG1 4.1Å; Y586-I617 HydrophobicContact CE1-CG2 3.68Å; Y586-I617 HydrophobicContact CE2-CG2 3.77Å; Y586-I617 HydrophobicContact CG-CB 4.42Å; Y586-I617 HydrophobicContact CG-CD1 3.67Å; Y586-I617 HydrophobicContact CG-CG1 3.54Å; Y586-I617 HydrophobicContact CG-CG2 4.25Å; Y586-T620 WeakPolarHBondContact CE1-OG1 3.39Å; Y586-S621 WeakPolarHBondContact OH-CB 3.47Å
587	L	88.2	Confident	78.6	Confident	2 Å²	2	34 Å²	34	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-62.7	-40.5	171.6	-58.9	-176.6	0	0	0	111.3	F515 P517 I521 I526 F582 K584 H585 T591 F613	F515-L587 HydrophobicContact CB-CD2 3.95Å; F515-L587 HydrophobicContact CD1-CD2 4.18Å; F515-L587 WeakPolarHBondContact O-CD2 3.48Å; P517-L587 HydrophobicContact CB-CB 4.04Å; I521-L587 HydrophobicContact CD1-CD1 3.55Å; I526-L587 HydrophobicContact CD1-CD1 3.36Å; I526-L587 HydrophobicContact CD1-CG 3.92Å; F582-L587 HydrophobicContact CE2-CD2 3.77Å; F582-L587 HydrophobicContact CE2-CG 4.1Å; F582-L587 HydrophobicContact CZ-CD2 4.03Å; K584-L587 WeakPolarHBondContact O-CB 3.16Å; K584-L587 PolarHBondContact O-N 2.83Å; K584-L587 VanDerWaalsContact O-N 3.08Å; H585-L587 PolarHBondContact O-N 3.09Å; L587-T591 WeakPolarHBondContact O-CB 3.42Å; L587-T591 PolarHBondContact O-N 3Å; L587-T591 PolarHBondContact O-OG1 3.09Å; L587-F613 HydrophobicContact CD2-CE2 4.24Å; L587-F613 HydrophobicContact CD2-CZ 3.82Å
588	H	82.9	Confident	79.3	Confident	92 Å²	92	33.7 Å²	33.7	43%	0.426	19%	0.192	S	C	.	.	H	α-helix	trans	-69	-49.5	175.5	-69.5	-77.7	0	0	0	111.3	P517 H585 Y586 Y590 T591 D592	P517-H588 WeakPolarHBondContact CB-CE1 3.46Å; H585-H588 WeakPolarHBondContact O-CB 3.33Å; H585-H588 PolarHBondContact O-N 3.27Å; H585-H588 VanDerWaalsContact O-N 3.08Å; Y586-H588 VanDerWaalsContact C-N 3.3Å; Y586-H588 PolarHBondContact O-N 3.18Å; H588-Y590 VanDerWaalsContact C-N 3.26Å; H588-Y590 PolarHBondContact O-N 2.88Å; H588-T591 PolarHBondContact O-N 3.19Å; H588-D592 IonicContact ND1-OD2 2.79Å; H588-D592 WeakPolarHBondContact O-CB 2.95Å; H588-D592 VanDerWaalsContact O-CG 3.3Å; H588-D592 PolarHBondContact O-N 3.17Å
589	L	75.7	Confident	79.8	Confident	31 Å²	31	35.2 Å²	35.2	16%	0.162	20%	0.197	C	C	.	.	I	π-helix	trans	-57	-43.1	177.5	-64.3	177.5	0	0	0	111.4	P434 H585 Y586 L593 L594 F616	P434-L589 HydrophobicContact CB-CD1 4.49Å; H585-L589 VanDerWaalsContact ND1-CD1 3.32Å; H585-L589 WeakPolarHBondContact ND1-CD1 3.48Å; H585-L589 PolarHBondContact O-N 2.96Å; Y586-L589 HydrophobicContact CD1-CD1 3.99Å; Y586-L589 HydrophobicContact CE1-CD1 4.37Å; Y586-L589 PolarHBondContact O-N 2.85Å; L589-L593 HydrophobicContact CB-CD1 4.4Å; L589-L593 HydrophobicContact CD2-CD1 3.4Å; L589-L593 VanDerWaalsContact CD2-CD1 3.4Å; L589-L593 HydrophobicContact CD2-CG 4.32Å; L589-L593 HydrophobicContact CG-CD1 4.47Å; L589-L593 WeakPolarHBondContact O-CA 3.35Å; L589-L593 WeakPolarHBondContact O-CB 3.31Å; L589-L593 PolarHBondContact O-N 3.21Å; L589-L594 PolarHBondContact O-N 2.74Å; L589-F616 HydrophobicContact CB-CE1 3.69Å; L589-F616 HydrophobicContact CB-CZ 3.86Å
590	Y	79	Confident	79.6	Confident	3 Å²	3	37.2 Å²	37.2	1%	0.012	21%	0.214	C	C	.	.	I	π-helix	trans	-67.7	-44.6	178.2	-175.3	-96	0	0	0	112.4	N512 F515 Y586 H588 L594 K599 I602 F613 F616	N512-Y590 HydrophobicContact CB-CE1 4.29Å; N512-Y590 PolarHBondContact OD1-OH 2.83Å; F515-Y590 HydrophobicContact CB-CD1 3.82Å; F515-Y590 HydrophobicContact CB-CE1 4.05Å; F515-Y590 HydrophobicContact CD2-CE1 4.27Å; Y586-Y590 WeakPolarHBondContact O-CB 3.49Å; Y586-Y590 PolarHBondContact O-N 2.66Å; H588-Y590 VanDerWaalsContact C-N 3.26Å; H588-Y590 PolarHBondContact O-N 2.88Å; Y590-L594 HydrophobicContact CD2-CD2 3.81Å; Y590-L594 HydrophobicContact CE1-CD2 4.44Å; Y590-L594 HydrophobicContact CE2-CD2 3.45Å; Y590-L594 VanDerWaalsContact CE2-CD2 3.45Å; Y590-L594 HydrophobicContact CG-CD2 4.48Å; Y590-L594 WeakPolarHBondContact O-CB 3.43Å; Y590-K599 VanDerWaalsContact O-CE 3.24Å; Y590-K599 WeakPolarHBondContact O-CE 3.36Å; Y590-K599 PolarHBondContact O-NZ 3.38Å; Y590-I602 HydrophobicContact CE2-CD1 4.49Å; Y590-I602 VanDerWaalsContact OH-CD1 3.27Å; Y590-I602 WeakPolarHBondContact OH-CD1 2.97Å; Y590-F613 HydrophobicContact CD1-CD2 4.11Å; Y590-F613 HydrophobicContact CD1-CE2 4.44Å; Y590-F613 AromaticContact CD2-CD2 3.46Å; Y590-F613 HydrophobicContact CD2-CD2 3.46Å; Y590-F613 VanDerWaalsContact CD2-CD2 3.46Å; Y590-F613 HydrophobicContact CD2-CE2 4.14Å; Y590-F613 HydrophobicContact CD2-CG 4.48Å; Y590-F613 HydrophobicContact CE2-CB 4.24Å; Y590-F613 AromaticContact CE2-CD2 3.91Å; Y590-F613 HydrophobicContact CE2-CD2 3.91Å; Y590-F613 AromaticContact CG-CD2 3.54Å; Y590-F613 HydrophobicContact CG-CD2 3.54Å; Y590-F613 AromaticContact CG-CE2 3.84Å; Y590-F613 HydrophobicContact CG-CE2 3.84Å; Y590-F616 HydrophobicContact CD2-CB 4.48Å; Y590-F616 AromaticContact CD2-CD1 3.99Å; Y590-F616 HydrophobicContact CD2-CD1 3.99Å; Y590-F616 HydrophobicContact CD2-CG 4.26Å
591	T	80.1	Confident	79.1	Confident	29 Å²	29	37.8 Å²	37.8	18%	0.178	22%	0.216	C	C	.	.	I	π-helix	trans	-73.5	-34.6	-177.7	-60.7	0	0	0	0	112.3	F515 F516 P517 L587 H588 K599	F515-T591 PolarHBondContact O-OG1 3.44Å; F516-T591 HydrophobicContact CD2-CG2 3.76Å; F516-T591 HydrophobicContact CE2-CG2 3.9Å; P517-T591 WeakPolarHBondContact CD-OG1 3.45Å; P517-T591 HydrophobicContact CG-CG2 4.45Å; L587-T591 WeakPolarHBondContact O-CB 3.42Å; L587-T591 PolarHBondContact O-N 3Å; L587-T591 PolarHBondContact O-OG1 3.09Å; H588-T591 PolarHBondContact O-N 3.19Å; T591-K599 WeakPolarHBondContact O-CE 3.43Å; T591-K599 PolarHBondContact O-NZ 3.05Å
592	D	75.4	Confident	78.6	Confident	108 Å²	108	37.8 Å²	37.8	58%	0.578	22%	0.217	S	C	*	.	I	π-helix	trans	-101.9	-36.8	-169.3	-56	-32.9	0	0	0	112.3	H588	H588-D592 IonicContact ND1-OD2 2.79Å; H588-D592 WeakPolarHBondContact O-CB 2.95Å; H588-D592 VanDerWaalsContact O-CG 3.3Å; H588-D592 PolarHBondContact O-N 3.17Å
593	L	67.4	Low	78.2	Confident	113 Å²	113	40.2 Å²	40.2	59%	0.592	23%	0.23	S	C	*	.	I	π-helix	trans	-97.7	-27.2	-175.9	-57	-179.7	0	0	0	114.3	L589 A595	L589-L593 HydrophobicContact CB-CD1 4.4Å; L589-L593 HydrophobicContact CD2-CD1 3.4Å; L589-L593 VanDerWaalsContact CD2-CD1 3.4Å; L589-L593 HydrophobicContact CD2-CG 4.32Å; L589-L593 HydrophobicContact CG-CD1 4.47Å; L589-L593 WeakPolarHBondContact O-CA 3.35Å; L589-L593 WeakPolarHBondContact O-CB 3.31Å; L589-L593 PolarHBondContact O-N 3.21Å; L593-A595 PolarHBondContact O-N 3.32Å
594	L	68.6	Low	77.8	Confident	10 Å²	10	45.8 Å²	45.8	5%	0.052	26%	0.256	C	S	.	.	S	Bend	trans	-66.2	125.5	-177.4	-171.5	72.5	0	0	0	110.2	L589 Y590 I598 K599 I602 F616	L589-L594 PolarHBondContact O-N 2.74Å; Y590-L594 HydrophobicContact CD2-CD2 3.81Å; Y590-L594 HydrophobicContact CE1-CD2 4.44Å; Y590-L594 HydrophobicContact CE2-CD2 3.45Å; Y590-L594 VanDerWaalsContact CE2-CD2 3.45Å; Y590-L594 HydrophobicContact CG-CD2 4.48Å; Y590-L594 WeakPolarHBondContact O-CB 3.43Å; L594-I598 HydrophobicContact CD1-CB 4.23Å; L594-I598 HydrophobicContact CD1-CD1 3.85Å; L594-I598 HydrophobicContact CD1-CG2 3.98Å; L594-I598 HydrophobicContact CD2-CB 4.47Å; L594-I598 HydrophobicContact CD2-CG2 4.09Å; L594-I598 HydrophobicContact CG-CB 4.17Å; L594-I598 HydrophobicContact CG-CD1 4.5Å; L594-I598 HydrophobicContact CG-CG2 4.16Å; L594-K599 HydrophobicContact CD2-CG 3.84Å; L594-K599 HydrophobicContact CG-CG 4.26Å; L594-K599 WeakPolarHBondContact O-CE 3.5Å; L594-K599 PolarHBondContact O-NZ 3.13Å; L594-I602 HydrophobicContact CD2-CD1 4.14Å; L594-F616 HydrophobicContact CD1-CD2 4.06Å; L594-F616 HydrophobicContact CD1-CE2 4.26Å
595	A	66.7	Low	77	Confident	45 Å²	45	42.7 Å²	42.7	37%	0.372	24%	0.243	S	C	.	.			trans	-60	138.7	-175	0	0	0	0	0	111.8	L593 P597 I598 K599	L593-A595 PolarHBondContact O-N 3.32Å; A595-P597 VanDerWaalsContact C-N 3.32Å; A595-I598 HydrophobicContact CB-CD1 4.09Å; A595-I598 HydrophobicContact CB-CG1 4.41Å; A595-I598 WeakPolarHBondContact O-CB 3.24Å; A595-I598 PolarHBondContact O-N 3.32Å; A595-K599 PolarHBondContact O-N 3.15Å
596	S	71.2	Confident	76.4	Confident	92 Å²	92	47.3 Å²	47.3	64%	0.643	27%	0.267	S	S	*	.	H	α-helix	trans	-52.9	-38.2	-178.4	-51.7	0	0	0	0	114.8	I598 K599 A600	S596-I598 VanDerWaalsContact C-N 3.3Å; S596-I598 PolarHBondContact O-N 3.19Å; S596-K599 PolarHBondContact O-N 2.89Å; S596-A600 PolarHBondContact O-N 3.17Å
597	P	72	Confident	75.9	Confident	68 Å²	68	50.4 Å²	50.4	44%	0.442	29%	0.286	S	S	.	.	H	α-helix	trans	-62.3	-34.4	175.7	-24.1	35.2	0	0	0	113.7	A595 F601 F671 F675	A595-P597 VanDerWaalsContact C-N 3.32Å; P597-F601 WeakPolarHBondContact O-CB 3.46Å; P597-F601 PolarHBondContact O-N 3.08Å; P597-F671 HydrophobicContact CB-CZ 4.48Å; P597-F675 HydrophobicContact CB-CE2 4.36Å; P597-F675 HydrophobicContact CB-CZ 3.79Å; P597-F675 HydrophobicContact CG-CZ 4.2Å
598	I	72.5	Confident	75.3	Confident	13 Å²	13	50.4 Å²	50.4	7%	0.067	29%	0.287	C	S	.	.	H	α-helix	trans	-70.8	-43.1	177.5	-57.4	166.1	0	0	0	109.5	L594 A595 S596 A600 F601 I602 F671	L594-I598 HydrophobicContact CD1-CB 4.23Å; L594-I598 HydrophobicContact CD1-CD1 3.85Å; L594-I598 HydrophobicContact CD1-CG2 3.98Å; L594-I598 HydrophobicContact CD2-CB 4.47Å; L594-I598 HydrophobicContact CD2-CG2 4.09Å; L594-I598 HydrophobicContact CG-CB 4.17Å; L594-I598 HydrophobicContact CG-CD1 4.5Å; L594-I598 HydrophobicContact CG-CG2 4.16Å; A595-I598 HydrophobicContact CB-CD1 4.09Å; A595-I598 HydrophobicContact CB-CG1 4.41Å; A595-I598 WeakPolarHBondContact O-CB 3.24Å; A595-I598 PolarHBondContact O-N 3.32Å; S596-I598 VanDerWaalsContact C-N 3.3Å; S596-I598 PolarHBondContact O-N 3.19Å; I598-A600 VanDerWaalsContact C-N 3.34Å; I598-A600 PolarHBondContact O-N 3.27Å; I598-F601 WeakPolarHBondContact O-CB 3.31Å; I598-F601 PolarHBondContact O-N 3.03Å; I598-I602 HydrophobicContact CG2-CD1 3.99Å; I598-I602 HydrophobicContact CG2-CG1 4.47Å; I598-I602 VanDerWaalsContact O-CG1 3.31Å; I598-I602 WeakPolarHBondContact O-CG1 3.26Å; I598-I602 PolarHBondContact O-N 2.03Å; I598-F671 HydrophobicContact CB-CE1 4.47Å; I598-F671 HydrophobicContact CG1-CE1 3.95Å
599	K	75.5	Confident	75.2	Confident	44 Å²	44	46.2 Å²	46.2	19%	0.191	27%	0.267	C	S	.	.	H	α-helix	trans	-59.5	-45.2	175.7	-71.8	174.3	173	140.3	0	111.9	N512 Y590 T591 L594 A595 S596 F601 I602 D603	N512-K599 PolarHBondContact ND2-O 2.63Å; Y590-K599 VanDerWaalsContact O-CE 3.24Å; Y590-K599 WeakPolarHBondContact O-CE 3.36Å; Y590-K599 PolarHBondContact O-NZ 3.38Å; T591-K599 WeakPolarHBondContact O-CE 3.43Å; T591-K599 PolarHBondContact O-NZ 3.05Å; L594-K599 HydrophobicContact CD2-CG 3.84Å; L594-K599 HydrophobicContact CG-CG 4.26Å; L594-K599 WeakPolarHBondContact O-CE 3.5Å; L594-K599 PolarHBondContact O-NZ 3.13Å; A595-K599 PolarHBondContact O-N 3.15Å; S596-K599 PolarHBondContact O-N 2.89Å; K599-F601 VanDerWaalsContact C-N 3.33Å; K599-F601 PolarHBondContact O-N 3Å; K599-I602 PolarHBondContact O-N 3.01Å; K599-D603 PolarHBondContact O-N 2.73Å
600	A	79.8	Confident	75.4	Confident	50 Å²	50	45 Å²	45	41%	0.413	26%	0.261	S	S	.	.	H	α-helix	trans	-60.1	-44	175.7	0	0	0	0	0	111.5	S596 I598 I602 D603 E604	S596-A600 PolarHBondContact O-N 3.17Å; I598-A600 VanDerWaalsContact C-N 3.34Å; I598-A600 PolarHBondContact O-N 3.27Å; A600-I602 VanDerWaalsContact C-N 3.32Å; A600-I602 PolarHBondContact O-N 3.5Å; A600-D603 PolarHBondContact O-N 2.79Å; A600-E604 PolarHBondContact O-N 3.43Å; A600-E604 VanDerWaalsContact O-N 3.16Å
601	F	79.9	Confident	75.2	Confident	13 Å²	13	45.2 Å²	45.2	6%	0.057	26%	0.262	C	S	.	.	H	α-helix	trans	-59.2	-41.7	174.5	175.9	-98	0	0	0	112.6	P597 I598 K599 E604 L605 F612 R667 L668 F671	P597-F601 WeakPolarHBondContact O-CB 3.46Å; P597-F601 PolarHBondContact O-N 3.08Å; I598-F601 WeakPolarHBondContact O-CB 3.31Å; I598-F601 PolarHBondContact O-N 3.03Å; K599-F601 VanDerWaalsContact C-N 3.33Å; K599-F601 PolarHBondContact O-N 3Å; F601-E604 WeakPolarHBondContact O-CB 3.31Å; F601-E604 PolarHBondContact O-N 3Å; F601-L605 HydrophobicContact CD1-CD1 4.45Å; F601-L605 HydrophobicContact CE1-CD1 4.1Å; F601-L605 HydrophobicContact CE1-CD2 4.22Å; F601-L605 HydrophobicContact CZ-CD2 4.11Å; F601-L605 WeakPolarHBondContact O-CG 3.32Å; F601-F612 AromaticContact CD1-CE1 3.99Å; F601-F612 HydrophobicContact CD1-CE1 3.99Å; F601-F612 HydrophobicContact CD1-CZ 4.41Å; F601-F612 AromaticContact CE1-CE1 3.7Å; F601-F612 HydrophobicContact CE1-CE1 3.7Å; F601-F612 AromaticContact CE1-CZ 3.79Å; F601-F612 HydrophobicContact CE1-CZ 3.79Å; F601-R667 HydrophobicContact CE2-CG 3.73Å; F601-R667 HydrophobicContact CZ-CB 3.97Å; F601-R667 HydrophobicContact CZ-CG 3.64Å; F601-L668 HydrophobicContact CE1-CB 4.41Å; F601-L668 HydrophobicContact CE1-CD1 4.27Å; F601-F671 HydrophobicContact CB-CD2 4.39Å; F601-F671 HydrophobicContact CB-CE1 4.21Å; F601-F671 HydrophobicContact CB-CE2 4Å; F601-F671 HydrophobicContact CB-CZ 3.89Å; F601-F671 HydrophobicContact CD1-CD1 4.28Å; F601-F671 HydrophobicContact CD1-CG 4.32Å; F601-F671 HydrophobicContact CD2-CB 4.33Å; F601-F671 AromaticContact CD2-CD2 3.65Å; F601-F671 HydrophobicContact CD2-CD2 3.65Å; F601-F671 HydrophobicContact CD2-CE2 4.03Å; F601-F671 AromaticContact CD2-CG 3.94Å; F601-F671 HydrophobicContact CD2-CG 3.94Å; F601-F671 HydrophobicContact CE1-CB 4.36Å; F601-F671 HydrophobicContact CE1-CG 4.49Å; F601-F671 HydrophobicContact CE2-CB 3.98Å; F601-F671 HydrophobicContact CE2-CD2 4.07Å; F601-F671 HydrophobicContact CE2-CG 4.1Å; F601-F671 HydrophobicContact CG-CD1 4.22Å; F601-F671 HydrophobicContact CG-CD2 4.02Å; F601-F671 HydrophobicContact CG-CE1 4.34Å; F601-F671 HydrophobicContact CG-CE2 4.14Å; F601-F671 HydrophobicContact CG-CG 4.04Å; F601-F671 HydrophobicContact CG-CZ 4.28Å; F601-F671 HydrophobicContact CZ-CB 4Å; F601-F671 HydrophobicContact CZ-CG 4.38Å
602	I	79.6	Confident	75	Confident	1 Å²	1	44 Å²	44	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-66.4	-38.8	177.8	-66.3	167.7	0	0	0	111	V511 N512 Y590 L594 I598 K599 A600 E604 L605 E609 F612	V511-I602 HydrophobicContact CG2-CG2 4.07Å; V511-I602 WeakPolarHBondContact CG2-O 3.27Å; N512-I602 WeakPolarHBondContact OD1-CG2 3.28Å; Y590-I602 HydrophobicContact CE2-CD1 4.49Å; Y590-I602 VanDerWaalsContact OH-CD1 3.27Å; Y590-I602 WeakPolarHBondContact OH-CD1 2.97Å; L594-I602 HydrophobicContact CD2-CD1 4.14Å; I598-I602 HydrophobicContact CG2-CD1 3.99Å; I598-I602 HydrophobicContact CG2-CG1 4.47Å; I598-I602 VanDerWaalsContact O-CG1 3.31Å; I598-I602 WeakPolarHBondContact O-CG1 3.26Å; I598-I602 PolarHBondContact O-N 2.03Å; K599-I602 PolarHBondContact O-N 3.01Å; A600-I602 VanDerWaalsContact C-N 3.32Å; A600-I602 PolarHBondContact O-N 3.5Å; I602-E604 PolarHBondContact O-N 3Å; I602-L605 WeakPolarHBondContact O-CB 3.4Å; I602-L605 PolarHBondContact O-N 2.72Å; I602-E609 HydrophobicContact CG2-CB 3.84Å; I602-F612 HydrophobicContact CD1-CB 3.77Å; I602-F612 HydrophobicContact CD1-CD1 3.79Å; I602-F612 HydrophobicContact CD1-CG 3.95Å; I602-F612 HydrophobicContact CG1-CB 4.26Å; I602-F612 HydrophobicContact CG1-CD1 3.64Å; I602-F612 HydrophobicContact CG1-CE1 3.97Å; I602-F612 HydrophobicContact CG1-CG 3.92Å
603	D	81.7	Confident	75.2	Confident	51 Å²	51	38.9 Å²	38.9	27%	0.273	23%	0.227	S	C	.	.	H	α-helix	trans	-63.9	-27.7	176.1	-79.1	-37	0	0	0	113.3	S510 V511 N512 K599 A600 L605	S510-D603 VanDerWaalsContact CA-OD1 3.29Å; S510-D603 WeakPolarHBondContact CA-OD1 2.91Å; S510-D603 VanDerWaalsContact CB-OD1 3.31Å; S510-D603 WeakPolarHBondContact CB-OD1 3.03Å; S510-D603 PolarHBondContact OG-OD1 2.7Å; S510-D603 PolarHBondContact OG-OD2 2.73Å; V511-D603 WeakPolarHBondContact CG2-OD1 3.44Å; V511-D603 PolarHBondContact N-OD1 3.17Å; N512-D603 PolarHBondContact N-OD1 2.02Å; N512-D603 PolarHBondContact ND2-OD1 3.25Å; N512-D603 PolarHBondContact ND2-OD2 2.98Å; K599-D603 PolarHBondContact O-N 2.73Å; A600-D603 PolarHBondContact O-N 2.79Å; D603-L605 VanDerWaalsContact C-N 3.26Å; D603-L605 PolarHBondContact O-N 3.44Å
604	E	79.9	Confident	75.9	Confident	118 Å²	118	33.8 Å²	33.8	55%	0.551	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-9.9	173.6	-68.6	178.5	-169.5	0	0	114.2	A600 F601 I602 R667	A600-E604 PolarHBondContact O-N 3.43Å; A600-E604 VanDerWaalsContact O-N 3.16Å; F601-E604 WeakPolarHBondContact O-CB 3.31Å; F601-E604 PolarHBondContact O-N 3Å; I602-E604 PolarHBondContact O-N 3Å; E604-R667 IonicContact OE2-CZ 2.89Å; E604-R667 IonicContact OE2-NH2 2.77Å; E604-R667 PolarHBondContact OE2-NH2 2.78Å
605	L	73.6	Confident	76.1	Confident	6 Å²	6	33.6 Å²	33.6	3%	0.031	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-18.6	-178.5	-57.1	172.1	0	0	0	112.8	F601 I602 D603 T607 F612 H664	F601-L605 HydrophobicContact CD1-CD1 4.45Å; F601-L605 HydrophobicContact CE1-CD1 4.1Å; F601-L605 HydrophobicContact CE1-CD2 4.22Å; F601-L605 HydrophobicContact CZ-CD2 4.11Å; F601-L605 WeakPolarHBondContact O-CG 3.32Å; I602-L605 WeakPolarHBondContact O-CB 3.4Å; I602-L605 PolarHBondContact O-N 2.72Å; D603-L605 VanDerWaalsContact C-N 3.26Å; D603-L605 PolarHBondContact O-N 3.44Å; L605-T607 PolarHBondContact O-N 2.89Å; L605-F612 HydrophobicContact CD1-CD2 4.13Å; L605-F612 HydrophobicContact CD1-CE1 4.07Å; L605-F612 HydrophobicContact CD1-CE2 3.24Å; L605-F612 HydrophobicContact CD1-CZ 3.2Å; L605-H664 HydrophobicContact CD2-CB 4.32Å; L605-H664 WeakPolarHBondContact CD2-ND1 3.48Å; L605-H664 PolarHBondContact O-CE1 3.09Å
606	D	70.6	Confident	76.4	Confident	105 Å²	105	32 Å²	32	56%	0.561	18%	0.183	S	C	*	.	S	Bend	trans	56	-24.6	-172.2	-75.6	-39.1	0	0	0	116.3	K484 V511	K484-D606 IonicContact NZ-OD1 3.46Å; V511-D606 WeakPolarHBondContact CG1-O 3.44Å
607	T	74.3	Confident	76.6	Confident	64 Å²	64	27.7 Å²	27.7	39%	0.393	15%	0.153	S	C	.	.	S	Bend	trans	-146.6	169.1	-179.1	62.8	0	0	0	0	111.6	L605 E609	L605-T607 PolarHBondContact O-N 2.89Å; T607-E609 VanDerWaalsContact C-N 3.28Å; T607-E609 PolarHBondContact O-N 3.19Å
608	C	75.7	Confident	76.4	Confident	3 Å²	3	25 Å²	25	2%	0.02	14%	0.135	C	C	.	.			trans	66.9	25.6	177.9	-52.1	0	0	0	0	114.1	D610 I611 F612 C661	C608-D610 WeakPolarHBondContact CA-OD1 3.35Å; C608-D610 PolarHBondContact O-N 3.01Å; C608-I611 HydrophobicContact CB-CD1 4.12Å; C608-I611 PolarHBondContact O-N 3.03Å; C608-F612 WeakPolarHBondContact O-CD2 3.36Å; C608-C661 HydrophobicContact CB-CB 3.67Å; C608-C661 WeakPolarHBondContact CB-SG 3.22Å; C608-C661 VanDerWaalsContact SG-CA 3.54Å; C608-C661 WeakPolarHBondContact SG-CB 3.29Å; C608-C661 CovalentContact SG-SG 2.02Å; C608-C661 PolarHBondContact SG-SG 2.89Å
609	E	80	Confident	75.9	Confident	3 Å²	3	26.4 Å²	26.4	1%	0.014	14%	0.141	C	C	.	.	H	α-helix	trans	-65.2	-27	177.6	75.2	-67	165.8	0	0	112.8	R453 V511 R514 F515 I602 T607 F612 F613	R453-E609 VanDerWaalsContact CD-OE1 3.28Å; R453-E609 WeakPolarHBondContact CD-OE1 3.4Å; R453-E609 IonicContact NE-OE1 3.39Å; V511-E609 HydrophobicContact CB-CB 4.17Å; V511-E609 HydrophobicContact CB-CG 4.15Å; V511-E609 HydrophobicContact CG2-CB 4.04Å; R514-E609 WeakPolarHBondContact CD-OE1 3.3Å; R514-E609 IonicContact CZ-OE1 2.81Å; R514-E609 IonicContact NE-OE1 3.46Å; R514-E609 IonicContact NH1-OE1 3.36Å; R514-E609 PolarHBondContact NH1-OE1 3.19Å; F515-E609 HydrophobicContact CE2-CG 3.91Å; I602-E609 HydrophobicContact CG2-CB 3.84Å; T607-E609 VanDerWaalsContact C-N 3.28Å; T607-E609 PolarHBondContact O-N 3.19Å; E609-F612 WeakPolarHBondContact O-CB 3.47Å; E609-F612 PolarHBondContact O-N 3.05Å; E609-F613 PolarHBondContact O-N 2.77Å; E609-F613 VanDerWaalsContact O-N 3.16Å
610	D	79.6	Confident	75.4	Confident	6 Å²	6	26.3 Å²	26.3	3%	0.032	14%	0.144	C	C	.	.	H	α-helix	trans	-64.1	-37.5	178.1	62.8	-27.1	0	0	0	112.8	F515 C608 F612 F613 Y614	F515-D610 HydrophobicContact CE2-CB 4.49Å; F515-D610 HydrophobicContact CZ-CB 3.95Å; C608-D610 WeakPolarHBondContact CA-OD1 3.35Å; C608-D610 PolarHBondContact O-N 3.01Å; D610-F612 PolarHBondContact O-N 3.46Å; D610-F613 PolarHBondContact O-N 3.14Å; D610-Y614 HydrophobicContact CB-CD2 4.28Å; D610-Y614 HydrophobicContact CB-CE2 3.7Å; D610-Y614 WeakPolarHBondContact O-CD2 3.45Å; D610-Y614 VanDerWaalsContact O-CG 3.25Å; D610-Y614 PolarHBondContact O-N 2.87Å
611	I	75.1	Confident	74.6	Confident	8 Å²	8	24.3 Å²	24.3	4%	0.041	13%	0.127	C	C	.	.	H	α-helix	trans	-56.2	-40.9	174.3	-62	-178.5	0	0	0	110.8	W564 C608 W615 C661	W564-I611 HydrophobicContact CH2-CG2 4.11Å; C608-I611 HydrophobicContact CB-CD1 4.12Å; C608-I611 PolarHBondContact O-N 3.03Å; I611-W615 WeakPolarHBondContact O-CB 3.38Å; I611-W615 PolarHBondContact O-N 3.39Å; I611-C661 HydrophobicContact CD1-CB 3.27Å; I611-C661 VanDerWaalsContact CD1-SG 3.56Å
612	F	75.4	Confident	73.3	Confident	4 Å²	4	25.7 Å²	25.7	2%	0.018	14%	0.135	C	C	.	.	H	α-helix	trans	-71.2	-42.2	179.8	-71.6	-107.6	0	0	0	111.7	F601 I602 L605 C608 E609 D610 W615 F616 L668	F601-F612 AromaticContact CD1-CE1 3.99Å; F601-F612 HydrophobicContact CD1-CE1 3.99Å; F601-F612 HydrophobicContact CD1-CZ 4.41Å; F601-F612 AromaticContact CE1-CE1 3.7Å; F601-F612 HydrophobicContact CE1-CE1 3.7Å; F601-F612 AromaticContact CE1-CZ 3.79Å; F601-F612 HydrophobicContact CE1-CZ 3.79Å; I602-F612 HydrophobicContact CD1-CB 3.77Å; I602-F612 HydrophobicContact CD1-CD1 3.79Å; I602-F612 HydrophobicContact CD1-CG 3.95Å; I602-F612 HydrophobicContact CG1-CB 4.26Å; I602-F612 HydrophobicContact CG1-CD1 3.64Å; I602-F612 HydrophobicContact CG1-CE1 3.97Å; I602-F612 HydrophobicContact CG1-CG 3.92Å; L605-F612 HydrophobicContact CD1-CD2 4.13Å; L605-F612 HydrophobicContact CD1-CE1 4.07Å; L605-F612 HydrophobicContact CD1-CE2 3.24Å; L605-F612 HydrophobicContact CD1-CZ 3.2Å; C608-F612 WeakPolarHBondContact O-CD2 3.36Å; E609-F612 WeakPolarHBondContact O-CB 3.47Å; E609-F612 PolarHBondContact O-N 3.05Å; D610-F612 PolarHBondContact O-N 3.46Å; F612-W615 PolarHBondContact O-N 3.27Å; F612-F616 WeakPolarHBondContact O-CB 3.14Å; F612-F616 PolarHBondContact O-N 3.26Å; F612-L668 HydrophobicContact CD1-CD1 3.8Å; F612-L668 HydrophobicContact CD1-CD2 3.79Å; F612-L668 HydrophobicContact CD1-CG 4.3Å; F612-L668 HydrophobicContact CE1-CB 3.83Å; F612-L668 HydrophobicContact CE1-CD1 3.17Å; F612-L668 HydrophobicContact CE1-CD2 3.5Å; F612-L668 HydrophobicContact CE1-CG 3.63Å; F612-L668 HydrophobicContact CE2-CD2 4.42Å; F612-L668 HydrophobicContact CG-CD2 4.43Å; F612-L668 HydrophobicContact CZ-CB 3.7Å; F612-L668 HydrophobicContact CZ-CD1 3.97Å; F612-L668 HydrophobicContact CZ-CD2 3.79Å; F612-L668 HydrophobicContact CZ-CG 3.98Å
613	F	81.1	Confident	71.9	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.4	-48.5	177.3	-179	-105.6	0	0	0	111.3	F515 F582 L587 Y590 E609 D610 W615 F616 I617	F515-F613 HydrophobicContact CB-CD2 3.79Å; F515-F613 HydrophobicContact CB-CE2 3.82Å; F515-F613 HydrophobicContact CB-CG 4.37Å; F515-F613 HydrophobicContact CB-CZ 4.42Å; F515-F613 HydrophobicContact CD1-CB 4.37Å; F515-F613 AromaticContact CD1-CD1 3.56Å; F515-F613 HydrophobicContact CD1-CD1 3.56Å; F515-F613 AromaticContact CD1-CD2 3.88Å; F515-F613 HydrophobicContact CD1-CD2 3.88Å; F515-F613 AromaticContact CD1-CE1 3.68Å; F515-F613 HydrophobicContact CD1-CE1 3.68Å; F515-F613 HydrophobicContact CD1-CE2 4.03Å; F515-F613 AromaticContact CD1-CG 3.66Å; F515-F613 HydrophobicContact CD1-CG 3.66Å; F515-F613 AromaticContact CD1-CZ 3.93Å; F515-F613 HydrophobicContact CD1-CZ 3.93Å; F515-F613 HydrophobicContact CD2-CB 3.62Å; F515-F613 HydrophobicContact CD2-CD1 4.35Å; F515-F613 AromaticContact CD2-CD2 3.82Å; F515-F613 HydrophobicContact CD2-CD2 3.82Å; F515-F613 AromaticContact CD2-CG 3.68Å; F515-F613 HydrophobicContact CD2-CG 3.68Å; F515-F613 HydrophobicContact CE1-CB 4.17Å; F515-F613 AromaticContact CE1-CD1 3.42Å; F515-F613 HydrophobicContact CE1-CD1 3.42Å; F515-F613 VanDerWaalsContact CE1-CD1 3.42Å; F515-F613 HydrophobicContact CE1-CD2 4.44Å; F515-F613 AromaticContact CE1-CE1 3.85Å; F515-F613 HydrophobicContact CE1-CE1 3.85Å; F515-F613 AromaticContact CE1-CG 3.75Å; F515-F613 HydrophobicContact CE1-CG 3.75Å; F515-F613 HydrophobicContact CE2-CB 3.35Å; F515-F613 HydrophobicContact CE2-CD1 4.21Å; F515-F613 HydrophobicContact CE2-CD2 4.35Å; F515-F613 AromaticContact CE2-CG 3.74Å; F515-F613 HydrophobicContact CE2-CG 3.74Å; F515-F613 HydrophobicContact CG-CB 4.13Å; F515-F613 HydrophobicContact CG-CD1 4.04Å; F515-F613 AromaticContact CG-CD2 3.55Å; F515-F613 HydrophobicContact CG-CD2 3.55Å; F515-F613 HydrophobicContact CG-CE1 4.34Å; F515-F613 AromaticContact CG-CE2 3.92Å; F515-F613 HydrophobicContact CG-CE2 3.92Å; F515-F613 AromaticContact CG-CG 3.63Å; F515-F613 HydrophobicContact CG-CG 3.63Å; F515-F613 HydrophobicContact CG-CZ 4.3Å; F515-F613 HydrophobicContact CZ-CB 3.66Å; F515-F613 AromaticContact CZ-CD1 3.77Å; F515-F613 HydrophobicContact CZ-CD1 3.77Å; F515-F613 AromaticContact CZ-CG 3.79Å; F515-F613 HydrophobicContact CZ-CG 3.79Å; F582-F613 HydrophobicContact CD1-CE1 4.11Å; F582-F613 HydrophobicContact CD2-CE1 4.01Å; F582-F613 HydrophobicContact CD2-CZ 4.13Å; F582-F613 AromaticContact CE1-CE1 3.71Å; F582-F613 HydrophobicContact CE1-CE1 3.71Å; F582-F613 AromaticContact CE2-CE1 3.65Å; F582-F613 HydrophobicContact CE2-CE1 3.65Å; F582-F613 AromaticContact CE2-CZ 3.68Å; F582-F613 HydrophobicContact CE2-CZ 3.68Å; F582-F613 HydrophobicContact CG-CE1 4.25Å; F582-F613 AromaticContact CZ-CE1 3.49Å; F582-F613 HydrophobicContact CZ-CE1 3.49Å; F582-F613 VanDerWaalsContact CZ-CE1 3.49Å; F582-F613 AromaticContact CZ-CZ 3.92Å; F582-F613 HydrophobicContact CZ-CZ 3.92Å; L587-F613 HydrophobicContact CD2-CE2 4.24Å; L587-F613 HydrophobicContact CD2-CZ 3.82Å; Y590-F613 HydrophobicContact CD1-CD2 4.11Å; Y590-F613 HydrophobicContact CD1-CE2 4.44Å; Y590-F613 AromaticContact CD2-CD2 3.46Å; Y590-F613 HydrophobicContact CD2-CD2 3.46Å; Y590-F613 VanDerWaalsContact CD2-CD2 3.46Å; Y590-F613 HydrophobicContact CD2-CE2 4.14Å; Y590-F613 HydrophobicContact CD2-CG 4.48Å; Y590-F613 HydrophobicContact CE2-CB 4.24Å; Y590-F613 AromaticContact CE2-CD2 3.91Å; Y590-F613 HydrophobicContact CE2-CD2 3.91Å; Y590-F613 AromaticContact CG-CD2 3.54Å; Y590-F613 HydrophobicContact CG-CD2 3.54Å; Y590-F613 AromaticContact CG-CE2 3.84Å; Y590-F613 HydrophobicContact CG-CE2 3.84Å; E609-F613 PolarHBondContact O-N 2.77Å; E609-F613 VanDerWaalsContact O-N 3.16Å; D610-F613 PolarHBondContact O-N 3.14Å; F613-W615 PolarHBondContact O-N 3.29Å; F613-F616 WeakPolarHBondContact O-CB 3.5Å; F613-F616 PolarHBondContact O-N 3.45Å; F613-I617 HydrophobicContact CD1-CD1 3.84Å; F613-I617 HydrophobicContact CE1-CD1 3.27Å; F613-I617 HydrophobicContact CE1-CG1 4.23Å; F613-I617 HydrophobicContact CE2-CD1 4.4Å; F613-I617 HydrophobicContact CZ-CD1 3.6Å; F613-I617 HydrophobicContact CZ-CG1 4.28Å; F613-I617 WeakPolarHBondContact O-CG1 2.99Å; F613-I617 PolarHBondContact O-N 2.78Å
614	Y	80.3	Confident	70.6	Confident	5 Å²	5	27 Å²	27	2%	0.02	15%	0.149	C	C	.	.	H	α-helix	trans	-66.6	-37.7	178.5	-58	-38.5	0	0	0	112.2	S528 L555 F577 V580 F582 D610 F616 I617 I618	S528-Y614 PolarHBondContact OG-OH 3.29Å; S528-Y614 VanDerWaalsContact OG-OH 3.1Å; L555-Y614 HydrophobicContact CD1-CD1 4.33Å; L555-Y614 HydrophobicContact CD1-CG 4.38Å; L555-Y614 WeakPolarHBondContact CD1-O 3.5Å; L555-Y614 HydrophobicContact CD2-CD1 3.71Å; L555-Y614 HydrophobicContact CD2-CE1 4.28Å; L555-Y614 HydrophobicContact CD2-CG 4.49Å; F577-Y614 HydrophobicContact CB-CD2 3.45Å; F577-Y614 VanDerWaalsContact CB-CD2 3.45Å; F577-Y614 HydrophobicContact CB-CE2 3.36Å; F577-Y614 HydrophobicContact CG-CD2 4.02Å; F577-Y614 HydrophobicContact CG-CE2 4.37Å; F577-Y614 WeakPolarHBondContact O-CE2 3.24Å; F577-Y614 PolarHBondContact O-OH 3.17Å; V580-Y614 HydrophobicContact CB-CE1 4.01Å; V580-Y614 HydrophobicContact CG1-CD1 4.43Å; V580-Y614 HydrophobicContact CG1-CE1 4.08Å; V580-Y614 HydrophobicContact CG2-CE1 4.33Å; V580-Y614 HydrophobicContact CG2-CE2 4.05Å; F582-Y614 HydrophobicContact CD1-CE1 4.24Å; F582-Y614 HydrophobicContact CE1-CE1 4.25Å; D610-Y614 HydrophobicContact CB-CD2 4.28Å; D610-Y614 HydrophobicContact CB-CE2 3.7Å; D610-Y614 WeakPolarHBondContact O-CD2 3.45Å; D610-Y614 VanDerWaalsContact O-CG 3.25Å; D610-Y614 PolarHBondContact O-N 2.87Å; Y614-F616 VanDerWaalsContact C-N 3.35Å; Y614-F616 PolarHBondContact O-N 3.48Å; Y614-I617 WeakPolarHBondContact O-CB 3.06Å; Y614-I617 PolarHBondContact O-N 3.45Å; Y614-I618 VanDerWaalsContact O-CG1 3.31Å; Y614-I618 WeakPolarHBondContact O-CG1 3.43Å; Y614-I618 PolarHBondContact O-N 2.89Å
615	W	73.3	Confident	69.6	Low	7 Å²	7	25.2 Å²	25.2	3%	0.027	15%	0.149	C	C	.	.	H	α-helix	trans	-58.2	-47.4	170.2	167.7	78.1	0	0	0	111.7	I611 F612 F613 I617 I618 Q619 L672 M683 I688	I611-W615 WeakPolarHBondContact O-CB 3.38Å; I611-W615 PolarHBondContact O-N 3.39Å; F612-W615 PolarHBondContact O-N 3.27Å; F613-W615 PolarHBondContact O-N 3.29Å; W615-I617 VanDerWaalsContact C-N 3.27Å; W615-I617 PolarHBondContact O-N 2.97Å; W615-I618 PolarHBondContact O-N 3.47Å; W615-I618 VanDerWaalsContact O-N 3.14Å; W615-Q619 HydrophobicContact CD2-CG 4.16Å; W615-Q619 HydrophobicContact CZ2-CG 3.87Å; W615-Q619 WeakPolarHBondContact O-CG 3.13Å; W615-Q619 PolarHBondContact O-N 3.37Å; W615-L672 HydrophobicContact CH2-CD1 3.68Å; W615-L672 HydrophobicContact CH2-CD2 4.26Å; W615-L672 HydrophobicContact CZ2-CD1 3.76Å; W615-L672 HydrophobicContact CZ3-CD1 4.42Å; W615-M683 HydrophobicContact CH2-CE 3.41Å; W615-M683 VanDerWaalsContact CH2-CE 3.41Å; W615-M683 HydrophobicContact CH2-CG 4.46Å; W615-M683 HydrophobicContact CH2-SD 3.52Å; W615-M683 VanDerWaalsContact CH2-SD 3.52Å; W615-M683 HydrophobicContact CZ2-CE 4.14Å; W615-M683 HydrophobicContact CZ2-SD 4.28Å; W615-M683 HydrophobicContact CZ3-CE 3.82Å; W615-M683 HydrophobicContact CZ3-SD 4.32Å; W615-I688 HydrophobicContact CZ2-CG1 3.91Å
616	F	73.3	Confident	69.2	Low	12 Å²	12	25.7 Å²	25.7	5%	0.053	15%	0.153	C	C	.	.	H	α-helix	trans	-59.4	-39.8	177.4	172.8	-100	0	0	0	111.7	L589 Y590 L594 F612 F613 Y614 Q619 T620 M683	L589-F616 HydrophobicContact CB-CE1 3.69Å; L589-F616 HydrophobicContact CB-CZ 3.86Å; Y590-F616 HydrophobicContact CD2-CB 4.48Å; Y590-F616 AromaticContact CD2-CD1 3.99Å; Y590-F616 HydrophobicContact CD2-CD1 3.99Å; Y590-F616 HydrophobicContact CD2-CG 4.26Å; L594-F616 HydrophobicContact CD1-CD2 4.06Å; L594-F616 HydrophobicContact CD1-CE2 4.26Å; F612-F616 WeakPolarHBondContact O-CB 3.14Å; F612-F616 PolarHBondContact O-N 3.26Å; F613-F616 WeakPolarHBondContact O-CB 3.5Å; F613-F616 PolarHBondContact O-N 3.45Å; Y614-F616 VanDerWaalsContact C-N 3.35Å; Y614-F616 PolarHBondContact O-N 3.48Å; F616-Q619 PolarHBondContact O-N 3.48Å; F616-T620 HydrophobicContact CD2-CG2 4.24Å; F616-T620 HydrophobicContact CE1-CG2 4.15Å; F616-T620 HydrophobicContact CE2-CG2 3.81Å; F616-T620 HydrophobicContact CZ-CG2 3.76Å; F616-T620 WeakPolarHBondContact O-CB 3.29Å; F616-T620 WeakPolarHBondContact O-CG2 3.48Å; F616-T620 PolarHBondContact O-N 3.39Å; F616-T620 PolarHBondContact O-OG1 3.07Å; F616-M683 HydrophobicContact CD2-CE 4.29Å
617	I	75.4	Confident	69	Low	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.5	-52	172.7	-67.4	-179	0	0	0	110.6	L555 F582 Y586 F613 Y614 W615 Q619 T620 S621	L555-I617 HydrophobicContact CD1-CB 3.98Å; L555-I617 HydrophobicContact CD1-CG2 3.83Å; L555-I617 HydrophobicContact CD2-CB 4.37Å; L555-I617 HydrophobicContact CD2-CD1 3.79Å; L555-I617 HydrophobicContact CD2-CG2 4.03Å; L555-I617 HydrophobicContact CG-CB 4.18Å; L555-I617 HydrophobicContact CG-CG2 3.58Å; F582-I617 HydrophobicContact CB-CD1 3.96Å; F582-I617 HydrophobicContact CD2-CD1 4.16Å; F582-I617 HydrophobicContact CG-CD1 3.99Å; Y586-I617 HydrophobicContact CD1-CB 4.15Å; Y586-I617 HydrophobicContact CD1-CD1 4.23Å; Y586-I617 HydrophobicContact CD1-CG1 3.57Å; Y586-I617 HydrophobicContact CD1-CG2 4.05Å; Y586-I617 HydrophobicContact CD2-CD1 3.82Å; Y586-I617 HydrophobicContact CD2-CG1 4.05Å; Y586-I617 HydrophobicContact CD2-CG2 4.1Å; Y586-I617 HydrophobicContact CE1-CB 4.17Å; Y586-I617 HydrophobicContact CE1-CG1 4.1Å; Y586-I617 HydrophobicContact CE1-CG2 3.68Å; Y586-I617 HydrophobicContact CE2-CG2 3.77Å; Y586-I617 HydrophobicContact CG-CB 4.42Å; Y586-I617 HydrophobicContact CG-CD1 3.67Å; Y586-I617 HydrophobicContact CG-CG1 3.54Å; Y586-I617 HydrophobicContact CG-CG2 4.25Å; F613-I617 HydrophobicContact CD1-CD1 3.84Å; F613-I617 HydrophobicContact CE1-CD1 3.27Å; F613-I617 HydrophobicContact CE1-CG1 4.23Å; F613-I617 HydrophobicContact CE2-CD1 4.4Å; F613-I617 HydrophobicContact CZ-CD1 3.6Å; F613-I617 HydrophobicContact CZ-CG1 4.28Å; F613-I617 WeakPolarHBondContact O-CG1 2.99Å; F613-I617 PolarHBondContact O-N 2.78Å; Y614-I617 WeakPolarHBondContact O-CB 3.06Å; Y614-I617 PolarHBondContact O-N 3.45Å; W615-I617 VanDerWaalsContact C-N 3.27Å; W615-I617 PolarHBondContact O-N 2.97Å; I617-Q619 PolarHBondContact O-N 3.47Å; I617-T620 WeakPolarHBondContact CA-OG1 3.24Å; I617-T620 CarbonylContact O-C 3.51Å; I617-T620 PolarHBondContact O-N 3.4Å; I617-T620 PolarHBondContact O-OG1 2.84Å; I617-T620 VanDerWaalsContact O-OG1 3.09Å; I617-S621 VanDerWaalsContact O-CB 3.27Å; I617-S621 WeakPolarHBondContact O-CB 3.38Å; I617-S621 PolarHBondContact O-N 3.24Å; I617-S621 PolarHBondContact O-OG 2.97Å; I617-S621 VanDerWaalsContact O-OG 3.04Å
618	I	67.4	Low	68.9	Low	13 Å²	13	21.4 Å²	21.4	7%	0.067	13%	0.13	C	C	.	.	H	α-helix	trans	-56	-40.4	179.5	-65.7	165.4	0	0	0	111	L555 Y614 W615 S621 G623 V626	L555-I618 HydrophobicContact CD1-CD1 4.27Å; L555-I618 HydrophobicContact CD1-CG1 3.8Å; Y614-I618 VanDerWaalsContact O-CG1 3.31Å; Y614-I618 WeakPolarHBondContact O-CG1 3.43Å; Y614-I618 PolarHBondContact O-N 2.89Å; W615-I618 PolarHBondContact O-N 3.47Å; W615-I618 VanDerWaalsContact O-N 3.14Å; I618-S621 WeakPolarHBondContact CA-OG 3.44Å; I618-S621 PolarHBondContact O-OG 3.09Å; I618-G623 WeakPolarHBondContact O-CA 3.49Å; I618-G623 PolarHBondContact O-N 3.49Å; I618-V626 HydrophobicContact CD1-CG2 3.84Å; I618-V626 HydrophobicContact CG1-CG2 4.3Å
619	Q	63.2	Low	68.4	Low	41 Å²	41	21.7 Å²	21.7	19%	0.192	13%	0.132	C	C	.	.	H	α-helix	trans	-66.5	-40.9	177.1	-64.2	-46.7	-52.4	0	0	112.9	W615 F616 I617 H687	W615-Q619 HydrophobicContact CD2-CG 4.16Å; W615-Q619 HydrophobicContact CZ2-CG 3.87Å; W615-Q619 WeakPolarHBondContact O-CG 3.13Å; W615-Q619 PolarHBondContact O-N 3.37Å; F616-Q619 PolarHBondContact O-N 3.48Å; I617-Q619 PolarHBondContact O-N 3.47Å; Q619-H687 PolarHBondContact NE2-O 2.98Å; Q619-H687 VanDerWaalsContact NE2-O 3.17Å
620	T	63.9	Low	67.4	Low	43 Å²	43	22.7 Å²	22.7	26%	0.264	14%	0.139	S	C	.	.	H	α-helix	trans	-83	-20	-177.5	52.2	0	0	0	0	113	Y586 F616 I617 D622	Y586-T620 WeakPolarHBondContact CE1-OG1 3.39Å; F616-T620 HydrophobicContact CD2-CG2 4.24Å; F616-T620 HydrophobicContact CE1-CG2 4.15Å; F616-T620 HydrophobicContact CE2-CG2 3.81Å; F616-T620 HydrophobicContact CZ-CG2 3.76Å; F616-T620 WeakPolarHBondContact O-CB 3.29Å; F616-T620 WeakPolarHBondContact O-CG2 3.48Å; F616-T620 PolarHBondContact O-N 3.39Å; F616-T620 PolarHBondContact O-OG1 3.07Å; I617-T620 WeakPolarHBondContact CA-OG1 3.24Å; I617-T620 CarbonylContact O-C 3.51Å; I617-T620 PolarHBondContact O-N 3.4Å; I617-T620 PolarHBondContact O-OG1 2.84Å; I617-T620 VanDerWaalsContact O-OG1 3.09Å; T620-D622 PolarHBondContact O-N 2.77Å
621	S	62.6	Low	65.8	Low	8 Å²	8	24.6 Å²	24.6	6%	0.056	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	35.7	172.1	74.2	0	0	0	0	111.8	E553 Y586 I617 I618 G623 Q624	E553-S621 WeakPolarHBondContact O-CB 3.32Å; Y586-S621 WeakPolarHBondContact OH-CB 3.47Å; I617-S621 VanDerWaalsContact O-CB 3.27Å; I617-S621 WeakPolarHBondContact O-CB 3.38Å; I617-S621 PolarHBondContact O-N 3.24Å; I617-S621 PolarHBondContact O-OG 2.97Å; I617-S621 VanDerWaalsContact O-OG 3.04Å; I618-S621 WeakPolarHBondContact CA-OG 3.44Å; I618-S621 PolarHBondContact O-OG 3.09Å; S621-G623 PolarHBondContact O-N 3.48Å; S621-G623 VanDerWaalsContact O-N 3.14Å; S621-Q624 WeakPolarHBondContact O-CB 3.23Å; S621-Q624 WeakPolarHBondContact O-CG 3.49Å; S621-Q624 PolarHBondContact O-N 2.9Å; S621-Q624 VanDerWaalsContact O-N 3.13Å
622	D	54.4	Low	64	Low	42 Å²	42	29 Å²	29	23%	0.225	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	27.8	173.4	-84.1	-23.8	0	0	0	114.7	Y417 T620 Q624	Y417-D622 VanDerWaalsContact CB-CG 3.47Å; Y417-D622 VanDerWaalsContact CB-OD1 3.24Å; Y417-D622 WeakPolarHBondContact CB-OD1 3.33Å; Y417-D622 VanDerWaalsContact CD2-O 3.3Å; Y417-D622 WeakPolarHBondContact CD2-O 3.3Å; Y417-D622 PolarHBondContact N-OD1 3.08Å; Y417-D622 PolarHBondContact N-OD2 3.1Å; T620-D622 PolarHBondContact O-N 2.77Å; D622-Q624 PolarHBondContact O-N 2.62Å
623	G	48.7	Very low	61.6	Low	35 Å²	35	36.4 Å²	36.4	36%	0.361	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	14	179.6	0	0	0	0	0	114.4	I618 S621	I618-G623 WeakPolarHBondContact O-CA 3.49Å; I618-G623 PolarHBondContact O-N 3.49Å; S621-G623 PolarHBondContact O-N 3.48Å; S621-G623 VanDerWaalsContact O-N 3.14Å
624	Q	54.2	Low	59	Low	45 Å²	45	47.2 Å²	47.2	21%	0.21	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-64.1	135.7	-178.2	-67.8	-179.2	22.9	0	0	111.7	E553 R554 S621 D622	E553-Q624 PolarHBondContact OE1-OE1 3.47Å; R554-Q624 HydrophobicContact CG-CB 4.19Å; S621-Q624 WeakPolarHBondContact O-CB 3.23Å; S621-Q624 WeakPolarHBondContact O-CG 3.49Å; S621-Q624 PolarHBondContact O-N 2.9Å; S621-Q624 VanDerWaalsContact O-N 3.13Å; D622-Q624 PolarHBondContact O-N 2.62Å
625	S	59.5	Low	56.3	Low	79 Å²	79	51.4 Å²	51.4	55%	0.552	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-66.6	148.8	179.8	58.4	0	0	0	0	112.2	L627	S625-L627 PolarHBondContact O-N 2.87Å
626	V	65.5	Low	54.4	Low	17 Å²	17	57.1 Å²	57.1	10%	0.103	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-64.3	129.2	171.9	-175.4	0	0	0	0	109.1	L555 I618	L555-V626 HydrophobicContact CB-CB 4.42Å; L555-V626 HydrophobicContact CB-CG1 4.01Å; L555-V626 HydrophobicContact CB-CG2 4.07Å; L555-V626 HydrophobicContact CD1-CG2 4.12Å; I618-V626 HydrophobicContact CD1-CG2 3.84Å; I618-V626 HydrophobicContact CG1-CG2 4.3Å
627	L	66.9	Low	52.1	Low	38 Å²	38	61.8 Å²	61.8	20%	0.199	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	147	173.5	-63.7	176.2	0	0	0	110	L547 N551 R554 L555 V556 S557 S625	L547-L627 HydrophobicContact CD1-CD1 4.31Å; L547-L627 HydrophobicContact CD2-CB 4.12Å; L547-L627 HydrophobicContact CG-CD1 4.36Å; N551-L627 HydrophobicContact CB-CD1 3.72Å; N551-L627 VanDerWaalsContact CG-CD1 3.45Å; R554-L627 HydrophobicContact CB-CD1 4.49Å; L555-L627 PolarHBondContact O-N 2.89Å; V556-L627 CarbonylContact C-O 3.58Å; V556-L627 WeakPolarHBondContact CA-O 3.44Å; V556-L627 HydrophobicContact CG2-CB 4.23Å; V556-L627 HydrophobicContact CG2-CD1 4.47Å; S557-L627 PolarHBondContact N-O 3.26Å; S625-L627 PolarHBondContact O-N 2.87Å
628	S	70.9	Confident	49.7	Very low	40 Å²	40	67.9 Å²	67.9	28%	0.28	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.9	171.5	-166.8	0	0	0	0	111.1	L547 S630	L547-S628 WeakPolarHBondContact CD2-O 3.28Å; S628-S630 PolarHBondContact OG-OG 3Å
629	S	66.5	Low	47.9	Very low	9 Å²	9	75 Å²	75	6%	0.063	44%	0.441	C	S	.	.	S	Bend	trans	-84.4	-20	175.8	63.9	0	0	0	0	113.8	R543 S557 G631	R543-S629 WeakPolarHBondContact CD-O 3.5Å; S557-S629 PolarHBondContact O-N 2.71Å; S557-S629 VanDerWaalsContact O-N 3.1Å; S557-S629 PolarHBondContact O-OG 3.11Å; S629-G631 PolarHBondContact O-N 3.39Å; S629-G631 VanDerWaalsContact O-N 3.14Å
630	S	59	Low	46.1	Very low	24 Å²	24	79.5 Å²	79.5	17%	0.168	47%	0.466	C	S	.	.	S	Bend	trans	-73.8	103.3	168.6	53	0	0	0	0	107.2	D560 S628 S632	D560-S630 WeakPolarHBondContact CA-OG 3.11Å; D560-S630 PolarHBondContact N-OG 2.79Å; D560-S630 WeakPolarHBondContact OD1-CB 3.48Å; D560-S630 PolarHBondContact OD1-OG 3.16Å; D560-S630 WeakPolarHBondContact OD2-CB 3.32Å; S628-S630 PolarHBondContact OG-OG 3Å; S630-S632 PolarHBondContact O-N 3Å
631	G	46.4	Very low	44.4	Very low	46 Å²	46	86.1 Å²	86.1	47%	0.474	49%	0.494	S	S	.	.			trans	-55.9	130.6	-177.2	0	0	0	0	0	109.4	S629 N633	S629-G631 PolarHBondContact O-N 3.39Å; S629-G631 VanDerWaalsContact O-N 3.14Å; G631-N633 PolarHBondContact O-N 2.88Å
632	S	35.8	Very low	42.6	Very low	100 Å²	100	92 Å²	92	70%	0.699	53%	0.525	S	S	*	.			trans	-63.3	81.9	165.5	60.4	0	0	0	0	108	S630 R634	S630-S632 PolarHBondContact O-N 3Å; S632-R634 PolarHBondContact O-N 3.37Å
633	N	26	Very low	41.3	Very low	160 Å²	160	98 Å²	98	86%	0.856	55%	0.545	S	S	*	.			trans	-68.3	62.7	165	-84.7	-10.7	0	0	0	107.9	G631 S635	G631-N633 PolarHBondContact O-N 2.88Å; N633-S635 VanDerWaalsContact C-N 3.31Å; N633-S635 PolarHBondContact O-N 3.2Å
634	R	26.6	Very low	40.6	Very low	228 Å²	228	100.7 Å²	100.7	86%	0.86	56%	0.559	S	S	*	*			trans	-89.6	77.7	161.3	-70.1	-172.9	-178.5	-173.1	2.3	105.9	S632 P636	S632-R634 PolarHBondContact O-N 3.37Å; R634-P636 WeakPolarHBondContact O-CD 3.19Å
635	S	24.1	Very low	39.4	Very low	92 Å²	92	101.8 Å²	101.8	64%	0.643	57%	0.571	S	S	*	*			trans	-74.2	114.1	158.5	47.4	0	0	0	0	107.3	N633 T637	N633-S635 VanDerWaalsContact C-N 3.31Å; N633-S635 PolarHBondContact O-N 3.2Å; S635-T637 VanDerWaalsContact C-N 3.25Å; S635-T637 PolarHBondContact O-N 2.87Å
636	P	31.8	Very low	37.9	Very low	127 Å²	127	103.4 Å²	103.4	83%	0.825	57%	0.574	S	S	*	*			trans	-83.7	69.5	-175.9	34.4	-32.1	0	0	0	109.9	R634	R634-P636 WeakPolarHBondContact O-CD 3.19Å
637	T	25.8	Very low	36.2	Very low	110 Å²	110	109.4 Å²	109.4	68%	0.675	61%	0.605	S	S	*	*			trans	-151.8	88.6	167	54.3	0	0	0	0	109.4	S635	S635-T637 VanDerWaalsContact C-N 3.25Å; S635-T637 PolarHBondContact O-N 2.87Å
638	N	25	Very low	34.5	Very low	129 Å²	129	116.2 Å²	116.2	69%	0.69	63%	0.629	S	S	*	*			trans	177.8	85	140.1	-90	-14.2	0	0	0	108.3	N640	N638-N640 VanDerWaalsContact C-N 3.28Å; N638-N640 PolarHBondContact O-N 3.12Å
639	N	28.9	Very low	32.4	Very low	162 Å²	162	121.3 Å²	121.3	87%	0.866	65%	0.648	S	S	*	*			trans	-59.4	96.4	153	-77.2	-20.7	0	0	0	107.2
640	N	26.7	Very low	30.8	Very low	136 Å²	136	128.5 Å²	128.5	73%	0.727	69%	0.685	S	S	*	*			trans	-160.5	129.2	152.2	-90.5	-26	0	0	0	109.1	N638 N642	N638-N640 VanDerWaalsContact C-N 3.28Å; N638-N640 PolarHBondContact O-N 3.12Å; N640-N642 PolarHBondContact O-N 3.2Å
641	H	27.9	Very low	29.7	Very low	181 Å²	181	130 Å²	130	84%	0.838	70%	0.695	S	S	*	*	S	Bend	trans	-50.2	122.2	-178.2	-63.6	-81.4	0	0	0	112.8
642	N	24.7	Very low	29.4	Very low	131 Å²	131	131.9 Å²	131.9	70%	0.701	70%	0.701	S	S	*	*			trans	158.5	49	145.9	-79.9	-13.7	0	0	0	113	N640 S644	N640-N642 PolarHBondContact O-N 3.2Å; N642-S644 VanDerWaalsContact C-N 3.31Å; N642-S644 PolarHBondContact O-N 2.87Å
643	Y	26.9	Very low	29.9	Very low	168 Å²	168	136 Å²	136	66%	0.659	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	23.3	-177.1	-85.7	-77.3	0	0	0	115.9
644	S	33	Very low	31.2	Very low	93 Å²	93	130.5 Å²	130.5	65%	0.65	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-15	170.9	54.5	0	0	0	0	114.3	N642	N642-S644 VanDerWaalsContact C-N 3.31Å; N642-S644 PolarHBondContact O-N 2.87Å
645	S	29.3	Very low	32.3	Very low	67 Å²	67	127 Å²	127	47%	0.469	68%	0.681	S	S	.	*	S	Bend	trans	-90.6	-26.1	-175.1	54.5	0	0	0	0	115.1	L647	S645-L647 PolarHBondContact O-N 3.47Å
646	N	27.7	Very low	33.7	Very low	113 Å²	113	126 Å²	126	60%	0.604	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-12.6	-176.4	-78.4	-5.6	0	0	0	114.8
647	L	31	Very low	34.7	Very low	144 Å²	144	125.6 Å²	125.6	75%	0.754	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-22.4	175.3	-92.6	142.8	0	0	0	113.2	S645	S645-L647 PolarHBondContact O-N 3.47Å
648	Y	29.6	Very low	36	Very low	181 Å²	181	123.5 Å²	123.5	71%	0.71	65%	0.652	S	S	*	*	S	Bend	trans	-86.4	-12.3	179	-73.8	-78	0	0	0	114	S651	Y648-S651 PolarHBondContact O-OG 3.33Å
649	H	28.2	Very low	37.6	Very low	146 Å²	146	119.7 Å²	119.7	68%	0.676	63%	0.629	S	S	*	*	S	Bend	trans	-81.9	-19.4	-175.5	-97.8	-67.4	0	0	0	114.5
650	L	32.4	Very low	39.1	Very low	160 Å²	160	117.9 Å²	117.9	84%	0.838	62%	0.615	S	S	*	*	S	Bend	trans	-87.5	-12.5	173.1	-83.3	154	0	0	0	112.9
651	S	36.4	Very low	41	Very low	56 Å²	56	111.7 Å²	111.7	39%	0.392	58%	0.582	S	S	.	*	S	Bend	trans	-89.3	-8.4	-177.8	64.2	0	0	0	0	114.6	Y648 E653	Y648-S651 PolarHBondContact O-OG 3.33Å; S651-E653 VanDerWaalsContact C-N 3.3Å; S651-E653 PolarHBondContact O-N 3.23Å
652	S	39.8	Very low	42.7	Very low	85 Å²	85	105.1 Å²	105.1	59%	0.594	56%	0.557	S	S	*	*	S	Bend	trans	-71.6	-21.5	-175.9	56.5	0	0	0	0	114.2
653	E	46.2	Very low	44.6	Very low	188 Å²	188	105.6 Å²	105.6	88%	0.879	55%	0.553	S	S	*	*	S	Bend	trans	-93.2	-16.3	-179.7	-67.6	-172.3	168.3	0	0	113.5	S651	S651-E653 VanDerWaalsContact C-N 3.3Å; S651-E653 PolarHBondContact O-N 3.23Å
654	C	53.8	Low	46.4	Very low	43 Å²	43	99 Å²	99	29%	0.291	53%	0.528	S	S	.	.			trans	-130.8	84.6	-174.7	-125.2	0	0	0	0	112.3	C534 I656	C534-C654 WeakPolarHBondContact CA-SG 3.3Å; C534-C654 HydrophobicContact CB-CB 4.07Å; C534-C654 WeakPolarHBondContact CB-SG 3.35Å; C534-C654 WeakPolarHBondContact SG-CB 3.4Å; C534-C654 CovalentContact SG-SG 2.03Å; C534-C654 PolarHBondContact SG-SG 3.39Å; C654-I656 PolarHBondContact O-N 3.28Å; C654-I656 VanDerWaalsContact SG-CD1 3.53Å
655	N	49.7	Very low	47.9	Very low	155 Å²	155	95.7 Å²	95.7	83%	0.829	50%	0.504	S	S	*	.			trans	-76.8	62	173.3	-77.6	-22.5	0	0	0	111.5
656	I	53.1	Low	49.5	Very low	70 Å²	70	95.6 Å²	95.6	36%	0.359	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-95.5	127.9	174	-61.8	160.4	0	0	0	108.5	D532 C534 C654 P658	D532-I656 VanDerWaalsContact O-CD1 3.23Å; D532-I656 WeakPolarHBondContact O-CD1 3.44Å; C534-I656 VanDerWaalsContact CA-CD1 3.46Å; C534-I656 HydrophobicContact CB-CD1 3.67Å; C654-I656 PolarHBondContact O-N 3.28Å; C654-I656 VanDerWaalsContact SG-CD1 3.53Å; I656-P658 WeakPolarHBondContact O-CD 3.41Å
657	T	51.7	Low	51.3	Low	120 Å²	120	94.4 Å²	94.4	74%	0.736	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-68.5	118.7	171.7	48.2	0	0	0	0	109.2	K659	T657-K659 PolarHBondContact O-N 3.04Å
658	P	54.9	Low	52.9	Low	66 Å²	66	87.7 Å²	87.7	43%	0.429	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-61.5	140	178.3	22.5	-30.3	0	0	0	110.7	I656 H660	I656-P658 WeakPolarHBondContact O-CD 3.41Å; P658-H660 PolarHBondContact O-N 3.48Å
659	K	58.5	Low	54.3	Low	49 Å²	49	81.6 Å²	81.6	21%	0.213	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-68.4	119.2	174.5	-73.4	-178.2	169.3	-172.1	0	110.5	E530 T657 C661	E530-K659 IonicContact OE1-NZ 3.82Å; E530-K659 PolarHBondContact OE1-NZ 3.26Å; E530-K659 WeakPolarHBondContact OE2-CE 3.09Å; E530-K659 IonicContact OE2-NZ 2.74Å; E530-K659 PolarHBondContact OE2-NZ 3.35Å; T657-K659 PolarHBondContact O-N 3.04Å; K659-C661 PolarHBondContact O-N 2.91Å; K659-C661 VanDerWaalsContact O-N 3.14Å
660	H	60.5	Low	56.1	Low	124 Å²	124	77.5 Å²	77.5	57%	0.574	42%	0.42	S	S	*	.			trans	-84.2	84.7	177.7	-73.1	-62.8	0	0	0	111.4	P658	P658-H660 PolarHBondContact O-N 3.48Å
661	C	65.5	Low	57.6	Low	5 Å²	5	71.4 Å²	71.4	3%	0.034	39%	0.387	C	S	.	.			trans	-91.1	4.8	179.9	-56.3	0	0	0	0	114.5	C608 I611 K659 F663 H664 V665	C608-C661 HydrophobicContact CB-CB 3.67Å; C608-C661 WeakPolarHBondContact CB-SG 3.22Å; C608-C661 VanDerWaalsContact SG-CA 3.54Å; C608-C661 WeakPolarHBondContact SG-CB 3.29Å; C608-C661 CovalentContact SG-SG 2.02Å; C608-C661 PolarHBondContact SG-SG 2.89Å; I611-C661 HydrophobicContact CD1-CB 3.27Å; I611-C661 VanDerWaalsContact CD1-SG 3.56Å; K659-C661 PolarHBondContact O-N 2.91Å; K659-C661 VanDerWaalsContact O-N 3.14Å; C661-F663 VanDerWaalsContact C-N 3.32Å; C661-F663 PolarHBondContact O-N 2.93Å; C661-H664 PolarHBondContact O-N 3.28Å; C661-V665 WeakPolarHBondContact O-CG2 3.31Å; C661-V665 PolarHBondContact O-N 3.17Å
662	S	63.2	Low	58.6	Low	43 Å²	43	69 Å²	69	30%	0.301	37%	0.369	S	S	.	.	H	α-helix	trans	-57.5	-40.2	-174	59	0	0	0	0	113.6	V665 S666	S662-V665 PolarHBondContact O-N 3.36Å; S662-S666 PolarHBondContact O-N 2.65Å
663	F	64.4	Low	59.4	Low	142 Å²	142	70.3 Å²	70.3	62%	0.623	37%	0.366	S	S	*	.	H	α-helix	trans	-65.4	-36.7	175.8	-177.2	-99	0	0	0	112.4	C661 S666 R667	C661-F663 VanDerWaalsContact C-N 3.32Å; C661-F663 PolarHBondContact O-N 2.93Å; F663-S666 PolarHBondContact O-OG 3.25Å; F663-R667 PolarHBondContact O-N 2.94Å
664	H	65.5	Low	59.9	Low	30 Å²	30	67.7 Å²	67.7	14%	0.139	35%	0.354	C	S	.	.	H	α-helix	trans	-71.4	-37.2	178.1	-60.5	-71.2	0	0	0	111.7	L605 C661 S666 R667 L668	L605-H664 HydrophobicContact CD2-CB 4.32Å; L605-H664 WeakPolarHBondContact CD2-ND1 3.48Å; L605-H664 PolarHBondContact O-CE1 3.09Å; C661-H664 PolarHBondContact O-N 3.28Å; H664-S666 PolarHBondContact O-N 3.38Å; H664-R667 PolarHBondContact O-N 2.9Å; H664-L668 WeakPolarHBondContact O-CB 3.43Å; H664-L668 PolarHBondContact O-N 3.12Å
665	V	63.8	Low	59.7	Low	23 Å²	23	68.9 Å²	68.9	14%	0.139	35%	0.354	C	S	.	.	H	α-helix	trans	-63.4	-40.9	176.3	175.4	0	0	0	0	111.6	C661 S662 L668 K669	C661-V665 WeakPolarHBondContact O-CG2 3.31Å; C661-V665 PolarHBondContact O-N 3.17Å; S662-V665 PolarHBondContact O-N 3.36Å; V665-L668 PolarHBondContact O-N 3.05Å; V665-K669 WeakPolarHBondContact O-CG 3.46Å; V665-K669 PolarHBondContact O-N 3.5Å; V665-K669 VanDerWaalsContact O-N 3.08Å
666	S	64.6	Low	59.5	Low	65 Å²	65	64.9 Å²	64.9	46%	0.455	33%	0.333	S	S	.	.	H	α-helix	trans	-67.7	-40.7	176.8	66.7	0	0	0	0	112	S662 F663 H664 L668 K669 S670	S662-S666 PolarHBondContact O-N 2.65Å; F663-S666 PolarHBondContact O-OG 3.25Å; H664-S666 PolarHBondContact O-N 3.38Å; S666-L668 VanDerWaalsContact C-N 3.32Å; S666-L668 PolarHBondContact O-N 2.87Å; S666-K669 PolarHBondContact O-N 2.85Å; S666-S670 PolarHBondContact O-N 2.59Å; S666-S670 VanDerWaalsContact O-N 3.09Å
667	R	65.6	Low	58.7	Low	88 Å²	88	72.3 Å²	72.3	33%	0.332	36%	0.356	S	S	.	.	H	α-helix	trans	-61.7	-40.9	175.4	-157	-174.9	171.6	-171.5	-11	111.4	F601 E604 F663 H664 S670 F671	F601-R667 HydrophobicContact CE2-CG 3.73Å; F601-R667 HydrophobicContact CZ-CB 3.97Å; F601-R667 HydrophobicContact CZ-CG 3.64Å; E604-R667 IonicContact OE2-CZ 2.89Å; E604-R667 IonicContact OE2-NH2 2.77Å; E604-R667 PolarHBondContact OE2-NH2 2.78Å; F663-R667 PolarHBondContact O-N 2.94Å; H664-R667 PolarHBondContact O-N 2.9Å; R667-S670 PolarHBondContact O-N 3.49Å; R667-F671 WeakPolarHBondContact O-CB 3.1Å; R667-F671 PolarHBondContact O-N 2.89Å
668	L	62.8	Low	57.8	Low	3 Å²	3	70.2 Å²	70.2	2%	0.016	34%	0.344	C	S	.	.	H	α-helix	trans	-61.7	-46.7	175	177.1	55.5	0	0	0	112.5	F601 F612 H664 V665 S666 S670 F671 L672	F601-L668 HydrophobicContact CE1-CB 4.41Å; F601-L668 HydrophobicContact CE1-CD1 4.27Å; F612-L668 HydrophobicContact CD1-CD1 3.8Å; F612-L668 HydrophobicContact CD1-CD2 3.79Å; F612-L668 HydrophobicContact CD1-CG 4.3Å; F612-L668 HydrophobicContact CE1-CB 3.83Å; F612-L668 HydrophobicContact CE1-CD1 3.17Å; F612-L668 HydrophobicContact CE1-CD2 3.5Å; F612-L668 HydrophobicContact CE1-CG 3.63Å; F612-L668 HydrophobicContact CE2-CD2 4.42Å; F612-L668 HydrophobicContact CG-CD2 4.43Å; F612-L668 HydrophobicContact CZ-CB 3.7Å; F612-L668 HydrophobicContact CZ-CD1 3.97Å; F612-L668 HydrophobicContact CZ-CD2 3.79Å; F612-L668 HydrophobicContact CZ-CG 3.98Å; H664-L668 WeakPolarHBondContact O-CB 3.43Å; H664-L668 PolarHBondContact O-N 3.12Å; V665-L668 PolarHBondContact O-N 3.05Å; S666-L668 VanDerWaalsContact C-N 3.32Å; S666-L668 PolarHBondContact O-N 2.87Å; L668-S670 VanDerWaalsContact C-N 3.25Å; L668-S670 PolarHBondContact O-N 2.95Å; L668-F671 PolarHBondContact O-N 2.85Å; L668-L672 HydrophobicContact CD1-CD1 3.42Å; L668-L672 VanDerWaalsContact CD1-CD1 3.42Å; L668-L672 HydrophobicContact CD1-CG 3.84Å; L668-L672 HydrophobicContact CD2-CD1 4.47Å; L668-L672 HydrophobicContact CG-CD1 3.86Å; L668-L672 PolarHBondContact O-N 2.95Å
669	K	59.8	Low	56.8	Low	52 Å²	52	75.7 Å²	75.7	23%	0.226	37%	0.369	C	S	.	.	H	α-helix	trans	-56.9	-42.9	176.6	-74.1	-179.4	-178.5	-179.7	0	111.2	V665 S666 Q673 I688	V665-K669 WeakPolarHBondContact O-CG 3.46Å; V665-K669 PolarHBondContact O-N 3.5Å; V665-K669 VanDerWaalsContact O-N 3.08Å; S666-K669 PolarHBondContact O-N 2.85Å; K669-Q673 WeakPolarHBondContact O-CB 3.48Å; K669-Q673 VanDerWaalsContact O-CG 3.27Å; K669-Q673 WeakPolarHBondContact O-CG 3.22Å; K669-Q673 PolarHBondContact O-N 3.46Å; K669-Q673 VanDerWaalsContact O-N 3.1Å; K669-I688 HydrophobicContact CG-CG2 4.16Å
670	S	65.9	Low	55.3	Low	60 Å²	60	82.2 Å²	82.2	42%	0.42	39%	0.394	S	S	.	.	H	α-helix	trans	-65.6	-44	176.5	-178.7	0	0	0	0	112.5	S666 R667 L668 Q673 Q674	S666-S670 PolarHBondContact O-N 2.59Å; S666-S670 VanDerWaalsContact O-N 3.09Å; R667-S670 PolarHBondContact O-N 3.49Å; L668-S670 VanDerWaalsContact C-N 3.25Å; L668-S670 PolarHBondContact O-N 2.95Å; S670-Q673 WeakPolarHBondContact O-CB 3.25Å; S670-Q673 PolarHBondContact O-N 2.92Å; S670-Q674 PolarHBondContact O-N 2.86Å
671	F	63.7	Low	54.1	Low	33 Å²	33	83.4 Å²	83.4	15%	0.145	39%	0.394	C	S	.	.	H	α-helix	trans	-62.4	-45.5	178.9	-176.7	-99.1	0	0	0	112.1	P597 I598 F601 R667 L668 Q673 Q674 F675	P597-F671 HydrophobicContact CB-CZ 4.48Å; I598-F671 HydrophobicContact CB-CE1 4.47Å; I598-F671 HydrophobicContact CG1-CE1 3.95Å; F601-F671 HydrophobicContact CB-CD2 4.39Å; F601-F671 HydrophobicContact CB-CE1 4.21Å; F601-F671 HydrophobicContact CB-CE2 4Å; F601-F671 HydrophobicContact CB-CZ 3.89Å; F601-F671 HydrophobicContact CD1-CD1 4.28Å; F601-F671 HydrophobicContact CD1-CG 4.32Å; F601-F671 HydrophobicContact CD2-CB 4.33Å; F601-F671 AromaticContact CD2-CD2 3.65Å; F601-F671 HydrophobicContact CD2-CD2 3.65Å; F601-F671 HydrophobicContact CD2-CE2 4.03Å; F601-F671 AromaticContact CD2-CG 3.94Å; F601-F671 HydrophobicContact CD2-CG 3.94Å; F601-F671 HydrophobicContact CE1-CB 4.36Å; F601-F671 HydrophobicContact CE1-CG 4.49Å; F601-F671 HydrophobicContact CE2-CB 3.98Å; F601-F671 HydrophobicContact CE2-CD2 4.07Å; F601-F671 HydrophobicContact CE2-CG 4.1Å; F601-F671 HydrophobicContact CG-CD1 4.22Å; F601-F671 HydrophobicContact CG-CD2 4.02Å; F601-F671 HydrophobicContact CG-CE1 4.34Å; F601-F671 HydrophobicContact CG-CE2 4.14Å; F601-F671 HydrophobicContact CG-CG 4.04Å; F601-F671 HydrophobicContact CG-CZ 4.28Å; F601-F671 HydrophobicContact CZ-CB 4Å; F601-F671 HydrophobicContact CZ-CG 4.38Å; R667-F671 WeakPolarHBondContact O-CB 3.1Å; R667-F671 PolarHBondContact O-N 2.89Å; L668-F671 PolarHBondContact O-N 2.85Å; F671-Q673 PolarHBondContact O-N 2.93Å; F671-Q674 WeakPolarHBondContact O-CB 3.43Å; F671-Q674 PolarHBondContact O-N 2.88Å; F671-Q674 VanDerWaalsContact O-N 3.16Å; F671-F675 HydrophobicContact CD1-CD2 4.27Å; F671-F675 AromaticContact CE1-CD2 3.79Å; F671-F675 HydrophobicContact CE1-CD2 3.79Å; F671-F675 AromaticContact CE1-CE2 3.66Å; F671-F675 HydrophobicContact CE1-CE2 3.66Å; F671-F675 HydrophobicContact CE2-CD2 4.46Å; F671-F675 AromaticContact CE2-CE2 3.99Å; F671-F675 HydrophobicContact CE2-CE2 3.99Å; F671-F675 AromaticContact CZ-CD2 3.92Å; F671-F675 HydrophobicContact CZ-CD2 3.92Å; F671-F675 AromaticContact CZ-CE2 3.36Å; F671-F675 HydrophobicContact CZ-CE2 3.36Å; F671-F675 HydrophobicContact CZ-CZ 4.31Å; F671-F675 PolarHBondContact O-N 2.56Å
672	L	56.8	Low	52.6	Low	5 Å²	5	88 Å²	88	3%	0.026	42%	0.424	C	S	.	.	H	α-helix	trans	-70.4	-30.7	179	-72.8	168.6	0	0	0	112.9	W615 L668 Q674 F675 D676 I685 I688	W615-L672 HydrophobicContact CH2-CD1 3.68Å; W615-L672 HydrophobicContact CH2-CD2 4.26Å; W615-L672 HydrophobicContact CZ2-CD1 3.76Å; W615-L672 HydrophobicContact CZ3-CD1 4.42Å; L668-L672 HydrophobicContact CD1-CD1 3.42Å; L668-L672 VanDerWaalsContact CD1-CD1 3.42Å; L668-L672 HydrophobicContact CD1-CG 3.84Å; L668-L672 HydrophobicContact CD2-CD1 4.47Å; L668-L672 HydrophobicContact CG-CD1 3.86Å; L668-L672 PolarHBondContact O-N 2.95Å; L672-Q674 PolarHBondContact O-N 3.32Å; L672-F675 PolarHBondContact O-N 3.45Å; L672-D676 PolarHBondContact O-N 2.97Å; L672-D676 VanDerWaalsContact O-N 3.09Å; L672-I685 HydrophobicContact CB-CG1 4.32Å; L672-I688 HydrophobicContact CB-CD1 3.48Å; L672-I688 VanDerWaalsContact CB-CD1 3.48Å; L672-I688 HydrophobicContact CD1-CD1 3.17Å; L672-I688 HydrophobicContact CD1-CG1 3.71Å; L672-I688 HydrophobicContact CG-CD1 3.91Å
673	Q	58.4	Low	51.1	Low	112 Å²	112	88.7 Å²	88.7	52%	0.523	42%	0.423	S	S	.	.	H	α-helix	trans	-59.1	-31.4	169.2	-82.2	174	0.6	0	0	113.8	K669 S670 F671 I685	K669-Q673 WeakPolarHBondContact O-CB 3.48Å; K669-Q673 VanDerWaalsContact O-CG 3.27Å; K669-Q673 WeakPolarHBondContact O-CG 3.22Å; K669-Q673 PolarHBondContact O-N 3.46Å; K669-Q673 VanDerWaalsContact O-N 3.1Å; S670-Q673 WeakPolarHBondContact O-CB 3.25Å; S670-Q673 PolarHBondContact O-N 2.92Å; F671-Q673 PolarHBondContact O-N 2.93Å; Q673-I685 HydrophobicContact CB-CD1 4.19Å; Q673-I685 HydrophobicContact CG-CD1 3.54Å; Q673-I685 HydrophobicContact CG-CG1 4.08Å
674	Q	56.9	Low	49.7	Very low	133 Å²	133	87.2 Å²	87.2	62%	0.621	42%	0.417	S	S	*	.	H	α-helix	trans	-75.7	-36.2	175.8	-67.5	179.2	-1.2	0	0	111.7	S670 F671 L672	S670-Q674 PolarHBondContact O-N 2.86Å; F671-Q674 WeakPolarHBondContact O-CB 3.43Å; F671-Q674 PolarHBondContact O-N 2.88Å; F671-Q674 VanDerWaalsContact O-N 3.16Å; L672-Q674 PolarHBondContact O-N 3.32Å
675	F	48.2	Very low	48.1	Very low	68 Å²	68	87.3 Å²	87.3	30%	0.298	42%	0.418	S	S	.	.	H	α-helix	trans	-70.4	-34.1	179.2	-98.3	-90.4	0	0	0	113.9	P597 F671 L672 R677 T678	P597-F675 HydrophobicContact CB-CE2 4.36Å; P597-F675 HydrophobicContact CB-CZ 3.79Å; P597-F675 HydrophobicContact CG-CZ 4.2Å; F671-F675 HydrophobicContact CD1-CD2 4.27Å; F671-F675 AromaticContact CE1-CD2 3.79Å; F671-F675 HydrophobicContact CE1-CD2 3.79Å; F671-F675 AromaticContact CE1-CE2 3.66Å; F671-F675 HydrophobicContact CE1-CE2 3.66Å; F671-F675 HydrophobicContact CE2-CD2 4.46Å; F671-F675 AromaticContact CE2-CE2 3.99Å; F671-F675 HydrophobicContact CE2-CE2 3.99Å; F671-F675 AromaticContact CZ-CD2 3.92Å; F671-F675 HydrophobicContact CZ-CD2 3.92Å; F671-F675 AromaticContact CZ-CE2 3.36Å; F671-F675 HydrophobicContact CZ-CE2 3.36Å; F671-F675 HydrophobicContact CZ-CZ 4.31Å; F671-F675 PolarHBondContact O-N 2.56Å; L672-F675 PolarHBondContact O-N 3.45Å; F675-R677 PolarHBondContact O-N 3.35Å; F675-T678 PolarHBondContact O-N 3.01Å; F675-T678 PolarHBondContact O-OG1 3.49Å; F675-T678 VanDerWaalsContact O-OG1 3.11Å
676	D	45	Very low	46.5	Very low	72 Å²	72	89.6 Å²	89.6	39%	0.385	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-10.2	179.9	-143.3	11	0	0	0	113.1	L672 I685	L672-D676 PolarHBondContact O-N 2.97Å; L672-D676 VanDerWaalsContact O-N 3.09Å; D676-I685 HydrophobicContact CB-CD1 4.07Å; D676-I685 WeakPolarHBondContact OD2-CD1 3.1Å
677	R	37.8	Very low	45	Very low	225 Å²	225	87.6 Å²	87.6	85%	0.849	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-17.2	175.8	-68.7	-171	177.4	-170.8	0	114.7	F675	F675-R677 PolarHBondContact O-N 3.35Å
678	T	31.7	Very low	43.4	Very low	76 Å²	76	83.5 Å²	83.5	47%	0.466	40%	0.403	S	S	.	.	S	Bend	trans	-108.9	132.5	-179.8	51.4	0	0	0	0	109	F675 Y680	F675-T678 PolarHBondContact O-N 3.01Å; F675-T678 PolarHBondContact O-OG1 3.49Å; F675-T678 VanDerWaalsContact O-OG1 3.11Å; T678-Y680 PolarHBondContact O-N 2.81Å
679	N	34	Very low	41.9	Very low	181 Å²	181	86 Å²	86	97%	0.968	42%	0.418	S	S	*	.	S	Bend	trans	-57.5	19.9	-174	-76.8	-26	0	0	0	117
680	Y	28.4	Very low	40.6	Very low	186 Å²	186	86.9 Å²	86.9	73%	0.729	44%	0.435	S	S	*	.	S	Bend	trans	-83.1	122.3	165.1	-81.5	-82.9	0	0	0	109	T678	T678-Y680 PolarHBondContact O-N 2.81Å
681	Y	33.8	Very low	38.7	Very low	150 Å²	150	84.1 Å²	84.1	59%	0.588	42%	0.416	S	S	*	.			trans	26.1	109.1	167.1	-79.6	-86.1	0	0	0	115.6	G429 M683	G429-Y681 WeakPolarHBondContact O-CE1 3.5Å; G429-Y681 PolarHBondContact O-OH 2.8Å; Y681-M683 PolarHBondContact O-N 3.4Å
682	P	33.4	Very low	37.1	Very low	102 Å²	102	82.7 Å²	82.7	66%	0.662	41%	0.41	S	S	*	.			trans	-70.5	79	-176.2	31.8	-34.6	0	0	0	110.8	K684	P682-K684 HydrophobicContact CB-CG 4.33Å; P682-K684 PolarHBondContact O-N 2.98Å
683	M	32.3	Very low	35.7	Very low	57 Å²	57	85.1 Å²	85.1	28%	0.281	42%	0.423	S	S	.	.			trans	-69.1	74.8	158.6	-90.7	-179.4	152.3	0	0	107.2	W615 F616 Y681 I685	W615-M683 HydrophobicContact CH2-CE 3.41Å; W615-M683 VanDerWaalsContact CH2-CE 3.41Å; W615-M683 HydrophobicContact CH2-CG 4.46Å; W615-M683 HydrophobicContact CH2-SD 3.52Å; W615-M683 VanDerWaalsContact CH2-SD 3.52Å; W615-M683 HydrophobicContact CZ2-CE 4.14Å; W615-M683 HydrophobicContact CZ2-SD 4.28Å; W615-M683 HydrophobicContact CZ3-CE 3.82Å; W615-M683 HydrophobicContact CZ3-SD 4.32Å; F616-M683 HydrophobicContact CD2-CE 4.29Å; Y681-M683 PolarHBondContact O-N 3.4Å; M683-I685 PolarHBondContact O-N 3.39Å
684	K	34.8	Very low	34.5	Very low	110 Å²	110	83.8 Å²	83.8	48%	0.478	42%	0.418	S	S	.	.			trans	-65.4	128.4	-178.8	-80.7	-178.5	177.8	175.1	0	110.3	P682 S686 H687	P682-K684 HydrophobicContact CB-CG 4.33Å; P682-K684 PolarHBondContact O-N 2.98Å; K684-S686 PolarHBondContact O-N 3.05Å; K684-H687 PolarHBondContact O-N 2.78Å
685	I	31.7	Very low	33.4	Very low	32 Å²	32	81.2 Å²	81.2	16%	0.164	41%	0.408	C	S	.	.	H	α-helix	trans	-52.1	-24	-179.9	-67.2	122.1	0	0	0	114.2	L672 Q673 D676 M683 H687 I688 T689	L672-I685 HydrophobicContact CB-CG1 4.32Å; Q673-I685 HydrophobicContact CB-CD1 4.19Å; Q673-I685 HydrophobicContact CG-CD1 3.54Å; Q673-I685 HydrophobicContact CG-CG1 4.08Å; D676-I685 HydrophobicContact CB-CD1 4.07Å; D676-I685 WeakPolarHBondContact OD2-CD1 3.1Å; M683-I685 PolarHBondContact O-N 3.39Å; I685-H687 PolarHBondContact O-N 2.91Å; I685-I688 HydrophobicContact CB-CD1 3.88Å; I685-I688 HydrophobicContact CG1-CD1 3.58Å; I685-I688 HydrophobicContact CG2-CD1 4.05Å; I685-I688 CarbonylContact O-C 3.52Å; I685-I688 WeakPolarHBondContact O-CA 3.43Å; I685-I688 VanDerWaalsContact O-CB 3.25Å; I685-I688 WeakPolarHBondContact O-CB 3.04Å; I685-I688 PolarHBondContact O-N 3.13Å; I685-T689 PolarHBondContact O-N 3.26Å; I685-T689 PolarHBondContact O-OG1 3.02Å
686	S	31.8	Very low	32.5	Very low	71 Å²	71	81.9 Å²	81.9	50%	0.497	41%	0.414	S	S	.	.	H	α-helix	trans	-58.4	-27.7	174.2	59.6	0	0	0	0	113.2	K684 T689 A690	K684-S686 PolarHBondContact O-N 3.05Å; S686-T689 VanDerWaalsContact C-OG1 3.26Å; S686-T689 VanDerWaalsContact CA-OG1 3.3Å; S686-T689 WeakPolarHBondContact CA-OG1 3.33Å; S686-T689 PolarHBondContact O-N 2.71Å; S686-T689 PolarHBondContact O-OG1 3.05Å; S686-A690 PolarHBondContact O-N 2.69Å
687	H	32.5	Very low	31.8	Very low	24 Å²	24	82.5 Å²	82.5	11%	0.111	42%	0.416	C	S	.	.	H	α-helix	trans	-84.9	-23	173.7	-66.9	-107.5	0	0	0	112.8	Y417 Y422 Q619 K684 I685 T689 A690 G691	Y417-H687 AromaticContact CE1-CE1 3.87Å; Y422-H687 PolarHBondContact OH-NE2 3.26Å; Q619-H687 PolarHBondContact NE2-O 2.98Å; Q619-H687 VanDerWaalsContact NE2-O 3.17Å; K684-H687 PolarHBondContact O-N 2.78Å; I685-H687 PolarHBondContact O-N 2.91Å; H687-T689 PolarHBondContact O-N 2.87Å; H687-A690 PolarHBondContact O-N 3.29Å; H687-G691 PolarHBondContact O-N 3.25Å
688	I	32.3	Very low	31.4	Very low	2 Å²	2	73.6 Å²	73.6	1%	0.01	39%	0.388	C	S	.	.	H	α-helix	trans	-62.8	-36.9	163.5	-51.7	163.8	0	0	0	108.5	W615 K669 L672 I685 A690 A692 L693	W615-I688 HydrophobicContact CZ2-CG1 3.91Å; K669-I688 HydrophobicContact CG-CG2 4.16Å; L672-I688 HydrophobicContact CB-CD1 3.48Å; L672-I688 VanDerWaalsContact CB-CD1 3.48Å; L672-I688 HydrophobicContact CD1-CD1 3.17Å; L672-I688 HydrophobicContact CD1-CG1 3.71Å; L672-I688 HydrophobicContact CG-CD1 3.91Å; I685-I688 HydrophobicContact CB-CD1 3.88Å; I685-I688 HydrophobicContact CG1-CD1 3.58Å; I685-I688 HydrophobicContact CG2-CD1 4.05Å; I685-I688 CarbonylContact O-C 3.52Å; I685-I688 WeakPolarHBondContact O-CA 3.43Å; I685-I688 VanDerWaalsContact O-CB 3.25Å; I685-I688 WeakPolarHBondContact O-CB 3.04Å; I685-I688 PolarHBondContact O-N 3.13Å; I688-A690 PolarHBondContact O-N 3.13Å; I688-A692 HydrophobicContact CG2-CB 4.01Å; I688-A692 CarbonylContact O-C 3.56Å; I688-A692 WeakPolarHBondContact O-CA 3.42Å; I688-A692 WeakPolarHBondContact O-CB 3.44Å; I688-A692 PolarHBondContact O-N 3.48Å; I688-L693 PolarHBondContact O-N 3.32Å
689	T	30.1	Very low	31.4	Very low	55 Å²	55	73.5 Å²	73.5	34%	0.337	38%	0.383	S	S	.	.	H	α-helix	trans	-76.4	0.6	172.8	48.5	0	0	0	0	114.8	I685 S686 H687 L693	I685-T689 PolarHBondContact O-N 3.26Å; I685-T689 PolarHBondContact O-OG1 3.02Å; S686-T689 VanDerWaalsContact C-OG1 3.26Å; S686-T689 VanDerWaalsContact CA-OG1 3.3Å; S686-T689 WeakPolarHBondContact CA-OG1 3.33Å; S686-T689 PolarHBondContact O-N 2.71Å; S686-T689 PolarHBondContact O-OG1 3.05Å; H687-T689 PolarHBondContact O-N 2.87Å; T689-L693 HydrophobicContact CG2-CD1 3.96Å; T689-L693 HydrophobicContact CG2-CG 4.17Å; T689-L693 WeakPolarHBondContact O-CB 3.15Å; T689-L693 WeakPolarHBondContact O-CD1 3.49Å; T689-L693 WeakPolarHBondContact O-CG 3.35Å
690	A	32.4	Very low	31.2	Very low	70 Å²	70	65.8 Å²	65.8	58%	0.579	34%	0.341	S	S	*	.	H	α-helix	trans	-114.3	-22.7	175.9	0	0	0	0	0	112.8	S686 H687 I688	S686-A690 PolarHBondContact O-N 2.69Å; H687-A690 PolarHBondContact O-N 3.29Å; I688-A690 PolarHBondContact O-N 3.13Å
691	G	27.4	Very low	31.5	Very low	2 Å²	2	56.5 Å²	56.5	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-105.6	-19	173	0	0	0	0	0	113.8	W564 H687	W564-G691 VanDerWaalsContact CE2-O 3.27Å; W564-G691 WeakPolarHBondContact CZ2-O 3.38Å; W564-G691 PolarHBondContact NE1-O 3.25Å; H687-G691 PolarHBondContact O-N 3.25Å
692	A	28.9	Very low	31.3	Very low	3 Å²	3	48.8 Å²	48.8	3%	0.025	29%	0.289	C	S	.	.			trans	-115.6	6.2	168.6	0	0	0	0	0	114.3	W564 I688	W564-A692 HydrophobicContact CH2-CB 3.64Å; W564-A692 VanDerWaalsContact CZ2-CA 3.47Å; W564-A692 HydrophobicContact CZ2-CB 4.15Å; W564-A692 VanDerWaalsContact CZ3-CA 3.48Å; W564-A692 HydrophobicContact CZ3-CB 3.9Å; W564-A692 WeakPolarHBondContact CZ3-O 3.44Å; I688-A692 HydrophobicContact CG2-CB 4.01Å; I688-A692 CarbonylContact O-C 3.56Å; I688-A692 WeakPolarHBondContact O-CA 3.42Å; I688-A692 WeakPolarHBondContact O-CB 3.44Å; I688-A692 PolarHBondContact O-N 3.48Å
693	L	27.4	Very low	31.1	Very low	57 Å²	57	43.9 Å²	43.9	30%	0.298	26%	0.255	S	S	.	.			trans	-113.8	0	139.6	-36.8	175.4	0	0	0	106.4	W564 L566 I688 T689	W564-L693 WeakPolarHBondContact CB-O 3.32Å; L566-L693 HydrophobicContact CB-CB 4.12Å; L566-L693 HydrophobicContact CB-CD2 3.5Å; L566-L693 HydrophobicContact CB-CG 4.25Å; L566-L693 HydrophobicContact CD1-CD2 3.22Å; L566-L693 HydrophobicContact CD2-CD1 3.91Å; L566-L693 HydrophobicContact CD2-CD2 3.31Å; L566-L693 HydrophobicContact CD2-CG 4.22Å; L566-L693 HydrophobicContact CG-CD2 3.39Å; L566-L693 HydrophobicContact CG-CG 4.49Å; I688-L693 PolarHBondContact O-N 3.32Å; T689-L693 HydrophobicContact CG2-CD1 3.96Å; T689-L693 HydrophobicContact CG2-CG 4.17Å; T689-L693 WeakPolarHBondContact O-CB 3.15Å; T689-L693 WeakPolarHBondContact O-CD1 3.49Å; T689-L693 WeakPolarHBondContact O-CG 3.35Å

Retrieved 693 of 693 residues in 567.3 ms (Link to these results)

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