A0A077ZHT3_TRITR Loading...

PI3 PI4 kinase and PI3Ka and C2 and PX domain con taining protein

AlphaFold DB , UniProt , Accession A0A077ZHT3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 709 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	26	Very low	41.8	Very low	210 Å²	210	129.5 Å²	129.5	100%	1.034	68%	0.68	S	S	*	*				0	119.1	0	-72.8	175.7	-170.7	0	0	107.2	F3	M1-F3 PolarHBondContact O-N 2.84Å
2	R	28	Very low	43	Very low	250 Å²	250	126.6 Å²	126.6	94%	0.943	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-75.5	116.4	161.4	-89.9	-176.7	174.5	173.1	-1.5	106.1
3	F	33.7	Very low	44.9	Very low	146 Å²	146	119.8 Å²	119.8	64%	0.64	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-64.9	134.5	166.8	-70.7	-80.5	0	0	0	107.9	M1	M1-F3 PolarHBondContact O-N 2.84Å
4	P	38.6	Very low	47.1	Very low	89 Å²	89	120.9 Å²	120.9	58%	0.578	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-62.2	144.8	175.8	24.7	-30.9	0	0	0	109.9	L6	P4-L6 PolarHBondContact O-N 3.2Å
5	T	45.7	Very low	49.3	Very low	146 Å²	146	118.2 Å²	118.2	90%	0.896	64%	0.635	S	S	*	*			trans	-63.6	101.2	172.1	-32	0	0	0	0	108.1	Q7	T5-Q7 PolarHBondContact O-N 3.16Å
6	L	46.8	Very low	51.5	Low	60 Å²	60	116.1 Å²	116.1	31%	0.314	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-73	117.1	173.9	-71.6	168	0	0	0	107.9	P4 W75 Y82	P4-L6 PolarHBondContact O-N 3.2Å; L6-W75 HydrophobicContact CD2-CZ2 4.15Å; L6-Y82 HydrophobicContact CD1-CD2 4.25Å; L6-Y82 HydrophobicContact CD1-CE2 4.18Å
7	Q	47.4	Very low	53.6	Low	172 Å²	172	114.1 Å²	114.1	80%	0.804	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-68.2	137.6	161.5	-70	-167.7	-25.2	0	0	107.7	T5 S9	T5-Q7 PolarHBondContact O-N 3.16Å; Q7-S9 PolarHBondContact O-N 3.15Å; Q7-S9 VanDerWaalsContact O-N 3.12Å
8	P	46.8	Very low	55.5	Low	81 Å²	81	108.5 Å²	108.5	53%	0.526	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-58	121.3	176.5	23	-30.5	0	0	0	108.5
9	S	46.5	Very low	57.2	Low	57 Å²	57	110 Å²	110	40%	0.399	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-65.1	142.5	172.5	60.8	0	0	0	0	109.4	Q7 G11 T79	Q7-S9 PolarHBondContact O-N 3.15Å; Q7-S9 VanDerWaalsContact O-N 3.12Å; S9-G11 PolarHBondContact O-N 3.42Å; S9-T79 WeakPolarHBondContact OG-CG2 3.17Å
10	D	46.9	Very low	58.8	Low	172 Å²	172	111 Å²	111	92%	0.92	58%	0.584	S	S	*	*	S	Bend	trans	-58.9	14.8	179.1	-72.6	-34.8	0	0	0	116.2	S12	D10-S12 PolarHBondContact O-N 3.35Å; D10-S12 VanDerWaalsContact O-N 3.12Å
11	G	53.3	Low	60.2	Low	41 Å²	41	106.1 Å²	106.1	42%	0.423	56%	0.559	S	S	.	*			trans	-74.4	94.7	166	0	0	0	0	0	110	S9 V13	S9-G11 PolarHBondContact O-N 3.42Å; G11-V13 PolarHBondContact O-N 2.98Å
12	S	57	Low	63.2	Low	95 Å²	95	99.6 Å²	99.6	66%	0.664	53%	0.532	S	S	*	.			trans	-65.4	93.4	179.7	53.1	0	0	0	0	111.3	D10 E14	D10-S12 PolarHBondContact O-N 3.35Å; D10-S12 VanDerWaalsContact O-N 3.12Å; S12-E14 PolarHBondContact O-N 3.39Å; S12-E14 VanDerWaalsContact O-N 3.12Å
13	V	66.8	Low	66	Low	38 Å²	38	92.1 Å²	92.1	23%	0.23	52%	0.515	C	S	.	.			trans	-69.9	102.9	160	-175.6	0	0	0	0	106.2	G11 V54 L84 I87	G11-V13 PolarHBondContact O-N 2.98Å; V13-V54 HydrophobicContact CG1-CG1 3.75Å; V13-L84 HydrophobicContact CG1-CD1 4.38Å; V13-I87 HydrophobicContact CB-CD1 4.22Å; V13-I87 HydrophobicContact CG1-CD1 3.66Å
14	E	75.8	Confident	68.6	Low	135 Å²	135	91.4 Å²	91.4	63%	0.631	52%	0.518	S	S	*	.			trans	-89.3	135	176.3	-68.9	-171.2	172.6	0	0	110.5	S12	S12-E14 PolarHBondContact O-N 3.39Å; S12-E14 VanDerWaalsContact O-N 3.12Å
15	P	80.3	Confident	70.9	Confident	81 Å²	81	88.2 Å²	88.2	53%	0.526	50%	0.498	S	S	.	.			trans	-66	135.2	173.7	28.9	-33.6	0	0	0	109.7	T57	P15-T57 WeakPolarHBondContact CB-OG1 3.11Å
16	M	85.3	Confident	72.9	Confident	84 Å²	84	82.8 Å²	82.8	41%	0.414	46%	0.463	S	S	.	.			trans	-105.7	150.6	174.7	-64.5	-174	178.9	0	0	110.2	V54 Y55	M16-V54 HydrophobicContact CB-CG2 4.39Å; M16-V54 HydrophobicContact CE-CG2 4.48Å; M16-V54 HydrophobicContact CG-CG2 4.07Å; M16-V54 PolarHBondContact N-O 3.11Å; M16-V54 HydrophobicContact SD-CG2 3.81Å; M16-Y55 HydrophobicContact CB-CD1 3.4Å; M16-Y55 VanDerWaalsContact CB-CD1 3.4Å; M16-Y55 HydrophobicContact CB-CE1 3.42Å; M16-Y55 VanDerWaalsContact CB-CE1 3.42Å; M16-Y55 HydrophobicContact CB-CG 4.04Å; M16-Y55 HydrophobicContact CG-CE1 4.16Å; M16-Y55 HydrophobicContact SD-CD1 4.47Å; M16-Y55 HydrophobicContact SD-CE1 3.69Å; M16-Y55 HydrophobicContact SD-CE2 3.92Å; M16-Y55 PolarHBondContact SD-OH 3.43Å
17	D	87	Confident	74.8	Confident	83 Å²	83	85.9 Å²	85.9	44%	0.444	48%	0.477	S	S	.	.			trans	-76.1	125.6	178.8	177.9	13.1	0	0	0	110.4	H19 Q20 Y55	D17-H19 PolarHBondContact O-N 3.28Å; D17-H19 VanDerWaalsContact O-N 3.14Å; D17-H19 IonicContact OD1-CD2 3.17Å; D17-H19 IonicContact OD1-CG 3.29Å; D17-H19 PolarHBondContact OD1-N 3.07Å; D17-Q20 HydrophobicContact CB-CG 4.06Å; D17-Q20 VanDerWaalsContact O-CB 3.28Å; D17-Q20 WeakPolarHBondContact O-CB 3.44Å; D17-Q20 WeakPolarHBondContact O-CG 3.48Å; D17-Q20 PolarHBondContact O-N 3.48Å; D17-Y55 WeakPolarHBondContact O-CD1 3.46Å
18	F	87.7	Confident	76.8	Confident	13 Å²	13	81.2 Å²	81.2	6%	0.057	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-53.2	-34.8	179.6	-176	-103.7	0	0	0	112.6	Q20 L21 Q26 L29 E30 L56 M59	F18-Q20 PolarHBondContact O-N 2.93Å; F18-Q20 VanDerWaalsContact O-N 3.14Å; F18-L21 HydrophobicContact CD2-CD1 3.98Å; F18-L21 HydrophobicContact CE2-CD1 4.05Å; F18-L21 WeakPolarHBondContact O-CB 3.48Å; F18-L21 PolarHBondContact O-N 3.4Å; F18-L21 VanDerWaalsContact O-N 3.14Å; F18-Q26 HydrophobicContact CD1-CG 4.18Å; F18-Q26 HydrophobicContact CE1-CB 3.68Å; F18-Q26 HydrophobicContact CE1-CG 3.7Å; F18-Q26 HydrophobicContact CZ-CB 3.75Å; F18-Q26 HydrophobicContact CZ-CG 3.95Å; F18-L29 HydrophobicContact CE2-CB 4.03Å; F18-L29 HydrophobicContact CE2-CD1 3.89Å; F18-L29 HydrophobicContact CZ-CB 4.3Å; F18-E30 HydrophobicContact CE1-CG 4.16Å; F18-E30 WeakPolarHBondContact CE1-OE1 3.35Å; F18-E30 HydrophobicContact CZ-CG 3.92Å; F18-L56 HydrophobicContact CD2-CD2 4.03Å; F18-L56 HydrophobicContact CE2-CD2 3.91Å; F18-M59 HydrophobicContact CB-CE 4.11Å; F18-M59 HydrophobicContact CD1-CE 3.5Å; F18-M59 HydrophobicContact CD2-CE 3.57Å; F18-M59 HydrophobicContact CD2-SD 4.24Å; F18-M59 HydrophobicContact CE1-CE 3.69Å; F18-M59 HydrophobicContact CE2-CE 3.75Å; F18-M59 HydrophobicContact CE2-SD 4.25Å; F18-M59 HydrophobicContact CG-CE 3.44Å; F18-M59 VanDerWaalsContact CG-CE 3.44Å; F18-M59 HydrophobicContact CZ-CE 3.8Å
19	H	87.7	Confident	78.9	Confident	137 Å²	137	77.4 Å²	77.4	63%	0.634	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-68.9	-9.2	179.7	-65.4	-59.8	0	0	0	114.3	D17 L21 Q26	D17-H19 PolarHBondContact O-N 3.28Å; D17-H19 VanDerWaalsContact O-N 3.14Å; D17-H19 IonicContact OD1-CD2 3.17Å; D17-H19 IonicContact OD1-CG 3.29Å; D17-H19 PolarHBondContact OD1-N 3.07Å; H19-L21 VanDerWaalsContact C-N 3.31Å; H19-Q26 PolarHBondContact O-NE2 3.1Å
20	Q	88.2	Confident	80.8	Confident	130 Å²	130	78.5 Å²	78.5	61%	0.607	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-78.5	-14.5	173.4	-63	177.8	6.5	0	0	113	D17 F18 Y55	D17-Q20 HydrophobicContact CB-CG 4.06Å; D17-Q20 VanDerWaalsContact O-CB 3.28Å; D17-Q20 WeakPolarHBondContact O-CB 3.44Å; D17-Q20 WeakPolarHBondContact O-CG 3.48Å; D17-Q20 PolarHBondContact O-N 3.48Å; F18-Q20 PolarHBondContact O-N 2.93Å; F18-Q20 VanDerWaalsContact O-N 3.14Å; Q20-Y55 HydrophobicContact CB-CE1 4.21Å
21	L	88	Confident	82.6	Confident	9 Å²	9	73.5 Å²	73.5	5%	0.047	41%	0.405	C	S	.	.	S	Bend	trans	-71.8	151.3	176	-72.1	171	0	0	0	111.2	F18 H19 Q26 L29 K52 Y55	F18-L21 HydrophobicContact CD2-CD1 3.98Å; F18-L21 HydrophobicContact CE2-CD1 4.05Å; F18-L21 WeakPolarHBondContact O-CB 3.48Å; F18-L21 PolarHBondContact O-N 3.4Å; F18-L21 VanDerWaalsContact O-N 3.14Å; H19-L21 VanDerWaalsContact C-N 3.31Å; L21-Q26 HydrophobicContact CB-CG 3.78Å; L21-Q26 PolarHBondContact O-NE2 3Å; L21-L29 HydrophobicContact CD1-CD1 3.5Å; L21-K52 HydrophobicContact CD2-CD 3.96Å; L21-K52 HydrophobicContact CD2-CG 4.43Å; L21-Y55 HydrophobicContact CD1-CD1 4.3Å; L21-Y55 HydrophobicContact CD1-CD2 4.32Å; L21-Y55 HydrophobicContact CD1-CG 3.89Å; L21-Y55 HydrophobicContact CD2-CD1 4.18Å; L21-Y55 HydrophobicContact CD2-CD2 3.86Å; L21-Y55 HydrophobicContact CD2-CE1 4.2Å; L21-Y55 HydrophobicContact CD2-CE2 3.88Å; L21-Y55 HydrophobicContact CD2-CG 4.02Å; L21-Y55 HydrophobicContact CG-CD1 3.86Å; L21-Y55 HydrophobicContact CG-CD2 4.23Å; L21-Y55 HydrophobicContact CG-CE1 4.22Å; L21-Y55 HydrophobicContact CG-CG 3.86Å
22	P	89.8	Confident	84.1	Confident	72 Å²	72	71.7 Å²	71.7	47%	0.468	39%	0.385	S	S	.	.			trans	-55.3	144.4	169.1	-24.2	34.2	0	0	0	111.3	D24 S25 Q26	P22-D24 PolarHBondContact O-N 3.44Å; P22-D24 VanDerWaalsContact O-N 3.15Å; P22-S25 WeakPolarHBondContact O-CA 3.43Å; P22-S25 WeakPolarHBondContact O-CB 3.35Å; P22-S25 PolarHBondContact O-N 3.32Å; P22-Q26 PolarHBondContact O-N 3.33Å
23	P	86.8	Confident	85.4	Confident	93 Å²	93	67.5 Å²	67.5	60%	0.604	36%	0.355	S	S	*	.	H	α-helix	trans	-52.3	-39	-179.4	-28.6	35.2	0	0	0	113.8	S25 Q26 M27	P23-S25 VanDerWaalsContact C-N 3.33Å; P23-S25 PolarHBondContact O-N 3.14Å; P23-Q26 PolarHBondContact O-N 3.44Å; P23-M27 WeakPolarHBondContact O-CG 3.13Å; P23-M27 PolarHBondContact O-N 3.43Å
24	D	87.4	Confident	85.8	Confident	131 Å²	131	72 Å²	72	70%	0.701	37%	0.374	S	S	*	.	H	α-helix	trans	-64.2	-37.1	177.5	-59	-27.8	0	0	0	112.3	P22 L28	P22-D24 PolarHBondContact O-N 3.44Å; P22-D24 VanDerWaalsContact O-N 3.15Å; D24-L28 WeakPolarHBondContact O-CB 3.47Å; D24-L28 PolarHBondContact O-N 3Å; D24-L28 VanDerWaalsContact O-N 3.12Å
25	S	88.1	Confident	85.5	Confident	22 Å²	22	67.4 Å²	67.4	15%	0.154	35%	0.354	C	S	.	.	H	α-helix	trans	-70.4	-39.2	175.2	-60.4	0	0	0	0	111.9	P22 P23 L28 L29	P22-S25 WeakPolarHBondContact O-CA 3.43Å; P22-S25 WeakPolarHBondContact O-CB 3.35Å; P22-S25 PolarHBondContact O-N 3.32Å; P23-S25 VanDerWaalsContact C-N 3.33Å; P23-S25 PolarHBondContact O-N 3.14Å; S25-L28 PolarHBondContact O-N 3.45Å; S25-L29 WeakPolarHBondContact O-CB 3.48Å; S25-L29 VanDerWaalsContact O-CG 3.31Å; S25-L29 WeakPolarHBondContact O-CG 3.37Å; S25-L29 PolarHBondContact O-N 3.33Å
26	Q	88.4	Confident	85	Confident	32 Å²	32	65.1 Å²	65.1	15%	0.15	34%	0.335	C	S	.	.	H	α-helix	trans	-60.6	-50.3	175.1	-66.5	-178.8	30.8	0	0	110.3	F18 H19 L21 P22 P23 L28 L29 E30	F18-Q26 HydrophobicContact CD1-CG 4.18Å; F18-Q26 HydrophobicContact CE1-CB 3.68Å; F18-Q26 HydrophobicContact CE1-CG 3.7Å; F18-Q26 HydrophobicContact CZ-CB 3.75Å; F18-Q26 HydrophobicContact CZ-CG 3.95Å; H19-Q26 PolarHBondContact O-NE2 3.1Å; L21-Q26 HydrophobicContact CB-CG 3.78Å; L21-Q26 PolarHBondContact O-NE2 3Å; P22-Q26 PolarHBondContact O-N 3.33Å; P23-Q26 PolarHBondContact O-N 3.44Å; Q26-L28 VanDerWaalsContact C-N 3.34Å; Q26-L28 PolarHBondContact O-N 3.19Å; Q26-L29 PolarHBondContact O-N 3.32Å; Q26-E30 WeakPolarHBondContact O-CB 3.29Å; Q26-E30 WeakPolarHBondContact O-CG 3.41Å; Q26-E30 PolarHBondContact O-N 2.91Å
27	M	86.3	Confident	83.8	Confident	126 Å²	126	62.2 Å²	62.2	62%	0.621	33%	0.326	S	S	*	.	H	α-helix	trans	-58.8	-42.5	179	-73.5	-177.2	63.6	0	0	112.7	P23 D31	P23-M27 WeakPolarHBondContact O-CG 3.13Å; P23-M27 PolarHBondContact O-N 3.43Å; M27-D31 WeakPolarHBondContact O-CB 3.5Å; M27-D31 PolarHBondContact O-N 2.85Å
28	L	88.7	Confident	82.4	Confident	74 Å²	74	60.8 Å²	60.8	39%	0.387	32%	0.316	S	S	.	.	H	α-helix	trans	-67.3	-42.2	178.9	-177.8	61.1	0	0	0	112.1	D24 S25 Q26 D31 I32 F48	D24-L28 WeakPolarHBondContact O-CB 3.47Å; D24-L28 PolarHBondContact O-N 3Å; D24-L28 VanDerWaalsContact O-N 3.12Å; S25-L28 PolarHBondContact O-N 3.45Å; Q26-L28 VanDerWaalsContact C-N 3.34Å; Q26-L28 PolarHBondContact O-N 3.19Å; L28-D31 PolarHBondContact O-N 3.1Å; L28-I32 HydrophobicContact CD1-CD1 4.19Å; L28-I32 HydrophobicContact CD1-CG1 4.48Å; L28-I32 HydrophobicContact CG-CD1 4Å; L28-I32 WeakPolarHBondContact O-CB 3.06Å; L28-I32 WeakPolarHBondContact O-CD1 3.48Å; L28-I32 VanDerWaalsContact O-CG1 3.24Å; L28-I32 WeakPolarHBondContact O-CG1 3.27Å; L28-I32 PolarHBondContact O-N 2.84Å; L28-F48 HydrophobicContact CB-CE1 4.27Å; L28-F48 HydrophobicContact CD2-CD1 3.9Å; L28-F48 HydrophobicContact CD2-CE1 3.67Å; L28-F48 HydrophobicContact CD2-CZ 4.26Å; L28-F48 HydrophobicContact CG-CD1 4.39Å; L28-F48 HydrophobicContact CG-CE1 4.07Å
29	L	90.6	Very high	81.5	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-66.6	-42.6	177.4	-70.6	171	0	0	0	111.6	F18 L21 S25 Q26 I32 I33 F48 L49 K52 L56	F18-L29 HydrophobicContact CE2-CB 4.03Å; F18-L29 HydrophobicContact CE2-CD1 3.89Å; F18-L29 HydrophobicContact CZ-CB 4.3Å; L21-L29 HydrophobicContact CD1-CD1 3.5Å; S25-L29 WeakPolarHBondContact O-CB 3.48Å; S25-L29 VanDerWaalsContact O-CG 3.31Å; S25-L29 WeakPolarHBondContact O-CG 3.37Å; S25-L29 PolarHBondContact O-N 3.33Å; Q26-L29 PolarHBondContact O-N 3.32Å; L29-I32 PolarHBondContact O-N 3.27Å; L29-I33 WeakPolarHBondContact O-CB 3.35Å; L29-I33 VanDerWaalsContact O-CD1 3.32Å; L29-I33 WeakPolarHBondContact O-CD1 3.4Å; L29-I33 WeakPolarHBondContact O-CG1 3.24Å; L29-I33 PolarHBondContact O-N 3Å; L29-F48 HydrophobicContact CD1-CE1 4.41Å; L29-F48 HydrophobicContact CD2-CD1 3.82Å; L29-F48 HydrophobicContact CD2-CE1 3.71Å; L29-F48 HydrophobicContact CG-CD1 4.36Å; L29-F48 HydrophobicContact CG-CE1 3.73Å; L29-L49 HydrophobicContact CD2-CD2 3.81Å; L29-L49 HydrophobicContact CD2-CG 4.47Å; L29-K52 HydrophobicContact CD1-CB 4.01Å; L29-K52 HydrophobicContact CD1-CG 4.34Å; L29-L56 HydrophobicContact CB-CD2 4.48Å; L29-L56 HydrophobicContact CD1-CD2 4.13Å; L29-L56 HydrophobicContact CD2-CD1 4.27Å
30	E	87.1	Confident	80.7	Confident	80 Å²	80	66.1 Å²	66.1	37%	0.374	34%	0.336	S	S	.	.	H	α-helix	trans	-59.5	-47.8	174.1	-75.9	174.6	169.5	0	0	110.8	F18 Q26 I32 I33 E34	F18-E30 HydrophobicContact CE1-CG 4.16Å; F18-E30 WeakPolarHBondContact CE1-OE1 3.35Å; F18-E30 HydrophobicContact CZ-CG 3.92Å; Q26-E30 WeakPolarHBondContact O-CB 3.29Å; Q26-E30 WeakPolarHBondContact O-CG 3.41Å; Q26-E30 PolarHBondContact O-N 2.91Å; E30-I32 VanDerWaalsContact C-N 3.34Å; E30-I32 PolarHBondContact O-N 3.18Å; E30-I33 PolarHBondContact O-N 3.22Å; E30-E34 WeakPolarHBondContact O-CB 3.44Å; E30-E34 VanDerWaalsContact O-CG 3.3Å; E30-E34 WeakPolarHBondContact O-CG 3.28Å; E30-E34 PolarHBondContact O-N 3.33Å
31	D	83.8	Confident	80.3	Confident	68 Å²	68	61.1 Å²	61.1	36%	0.364	31%	0.313	S	S	.	.	H	α-helix	trans	-58.7	-44.8	176.5	-176.7	76	0	0	0	111.8	M27 L28 I33 N35	M27-D31 WeakPolarHBondContact O-CB 3.5Å; M27-D31 PolarHBondContact O-N 2.85Å; L28-D31 PolarHBondContact O-N 3.1Å; D31-I33 PolarHBondContact O-N 3.33Å; D31-N35 VanDerWaalsContact CG-ND2 3.27Å; D31-N35 WeakPolarHBondContact O-CB 3.46Å; D31-N35 VanDerWaalsContact O-CG 3.25Å; D31-N35 PolarHBondContact O-N 3.4Å; D31-N35 PolarHBondContact O-ND2 3.43Å; D31-N35 PolarHBondContact OD1-ND2 2.93Å; D31-N35 PolarHBondContact OD2-ND2 3.24Å
32	I	85.2	Confident	80.2	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-61.8	-44.1	177.2	-73.7	167	0	0	0	111.6	L28 L29 E30 N35 R36 L41 E45 L49 L65	L28-I32 HydrophobicContact CD1-CD1 4.19Å; L28-I32 HydrophobicContact CD1-CG1 4.48Å; L28-I32 HydrophobicContact CG-CD1 4Å; L28-I32 WeakPolarHBondContact O-CB 3.06Å; L28-I32 WeakPolarHBondContact O-CD1 3.48Å; L28-I32 VanDerWaalsContact O-CG1 3.24Å; L28-I32 WeakPolarHBondContact O-CG1 3.27Å; L28-I32 PolarHBondContact O-N 2.84Å; L29-I32 PolarHBondContact O-N 3.27Å; E30-I32 VanDerWaalsContact C-N 3.34Å; E30-I32 PolarHBondContact O-N 3.18Å; I32-N35 CarbonylContact O-C 3.54Å; I32-N35 PolarHBondContact O-N 3.42Å; I32-R36 PolarHBondContact O-N 3.34Å; I32-L41 HydrophobicContact CG1-CD2 4.49Å; I32-L41 HydrophobicContact CG2-CD2 3.64Å; I32-E45 HydrophobicContact CD1-CB 4.22Å; I32-E45 HydrophobicContact CD1-CG 4.08Å; I32-L49 HydrophobicContact CG2-CD1 3.82Å; I32-L49 HydrophobicContact CG2-CD2 4.1Å; I32-L49 HydrophobicContact CG2-CG 4.2Å; I32-L65 HydrophobicContact CG2-CD1 3.77Å
33	I	84.4	Confident	80	Confident	8 Å²	8	63.9 Å²	63.9	4%	0.041	33%	0.333	C	S	.	.	H	α-helix	trans	-72.4	-40.5	-177.8	-67	160.9	0	0	0	111.3	L29 E30 D31 N35 R36 L56 M59 E61 A62 L65	L29-I33 WeakPolarHBondContact O-CB 3.35Å; L29-I33 VanDerWaalsContact O-CD1 3.32Å; L29-I33 WeakPolarHBondContact O-CD1 3.4Å; L29-I33 WeakPolarHBondContact O-CG1 3.24Å; L29-I33 PolarHBondContact O-N 3Å; E30-I33 PolarHBondContact O-N 3.22Å; D31-I33 PolarHBondContact O-N 3.33Å; I33-N35 PolarHBondContact O-N 2.87Å; I33-R36 VanDerWaalsContact O-CB 3.24Å; I33-R36 WeakPolarHBondContact O-CB 3.5Å; I33-R36 VanDerWaalsContact O-CD 3.29Å; I33-R36 WeakPolarHBondContact O-CD 3.48Å; I33-R36 WeakPolarHBondContact O-CG 3.32Å; I33-R36 PolarHBondContact O-N 2.87Å; I33-R36 PolarHBondContact O-NH1 2.96Å; I33-L56 HydrophobicContact CD1-CD2 3.89Å; I33-M59 HydrophobicContact CD1-SD 3.88Å; I33-E61 HydrophobicContact CG2-CB 3.86Å; I33-A62 HydrophobicContact CD1-CB 3.73Å; I33-A62 HydrophobicContact CG1-CB 3.95Å; I33-L65 HydrophobicContact CG1-CD1 4.41Å
34	E	74.4	Confident	80.1	Confident	133 Å²	133	65.6 Å²	65.6	62%	0.621	34%	0.337	S	S	*	.	H	α-helix	trans	-62.6	-37.7	172.8	-72.9	-175.4	172.1	0	0	110.1	E30 R36 F38	E30-E34 WeakPolarHBondContact O-CB 3.44Å; E30-E34 VanDerWaalsContact O-CG 3.3Å; E30-E34 WeakPolarHBondContact O-CG 3.28Å; E30-E34 PolarHBondContact O-N 3.33Å; E34-R36 PolarHBondContact O-N 2.87Å; E34-F38 VanDerWaalsContact O-CE2 3.23Å; E34-F38 WeakPolarHBondContact O-CE2 3.49Å
35	N	70.4	Confident	80.1	Confident	38 Å²	38	60.2 Å²	60.2	20%	0.203	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	15.7	179.1	-65.9	-46.5	0	0	0	114.8	D31 I32 I33 G37 F38	D31-N35 VanDerWaalsContact CG-ND2 3.27Å; D31-N35 WeakPolarHBondContact O-CB 3.46Å; D31-N35 VanDerWaalsContact O-CG 3.25Å; D31-N35 PolarHBondContact O-N 3.4Å; D31-N35 PolarHBondContact O-ND2 3.43Å; D31-N35 PolarHBondContact OD1-ND2 2.93Å; D31-N35 PolarHBondContact OD2-ND2 3.24Å; I32-N35 CarbonylContact O-C 3.54Å; I32-N35 PolarHBondContact O-N 3.42Å; I33-N35 PolarHBondContact O-N 2.87Å; N35-G37 PolarHBondContact O-N 3.31Å; N35-F38 VanDerWaalsContact C-CD2 3.41Å; N35-F38 HydrophobicContact CB-CB 4.08Å; N35-F38 HydrophobicContact CB-CD2 4.13Å; N35-F38 HydrophobicContact CB-CG 4.21Å; N35-F38 WeakPolarHBondContact O-CB 3.3Å; N35-F38 WeakPolarHBondContact O-CD2 3.31Å; N35-F38 PolarHBondContact O-N 3.29Å
36	R	69.1	Low	80.1	Confident	33 Å²	33	63 Å²	63	13%	0.125	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-6.8	-172.4	69.5	-175.4	175.9	-94.4	10.4	117.8	I32 I33 E34 E61 L65	I32-R36 PolarHBondContact O-N 3.34Å; I33-R36 VanDerWaalsContact O-CB 3.24Å; I33-R36 WeakPolarHBondContact O-CB 3.5Å; I33-R36 VanDerWaalsContact O-CD 3.29Å; I33-R36 WeakPolarHBondContact O-CD 3.48Å; I33-R36 WeakPolarHBondContact O-CG 3.32Å; I33-R36 PolarHBondContact O-N 2.87Å; I33-R36 PolarHBondContact O-NH1 2.96Å; E34-R36 PolarHBondContact O-N 2.87Å; R36-E61 WeakPolarHBondContact CD-O 3.49Å; R36-E61 VanDerWaalsContact CZ-CD 3.49Å; R36-E61 IonicContact CZ-OE1 3.16Å; R36-E61 IonicContact CZ-OE2 3.34Å; R36-E61 VanDerWaalsContact CZ-OE2 3.28Å; R36-E61 IonicContact NH1-OE1 2.81Å; R36-E61 IonicContact NH1-OE2 2.72Å; R36-E61 PolarHBondContact NH1-OE2 3.29Å; R36-E61 IonicContact NH2-OE1 3.14Å; R36-E61 PolarHBondContact NH2-OE1 3.02Å; R36-E61 IonicContact NH2-OE2 2.95Å; R36-E61 PolarHBondContact NH2-OE2 2.75Å; R36-L65 HydrophobicContact CB-CD1 3.56Å; R36-L65 HydrophobicContact CB-CD2 3.9Å; R36-L65 HydrophobicContact CB-CG 3.87Å
37	G	60.9	Low	80.1	Confident	22 Å²	22	66.1 Å²	66.1	23%	0.227	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	8	173.4	0	0	0	0	0	114.3	N35 R408	N35-G37 PolarHBondContact O-N 3.31Å; G37-R408 PolarHBondContact O-NH1 3.27Å; G37-R408 VanDerWaalsContact O-NH1 3.09Å
38	F	56.8	Low	80.3	Confident	53 Å²	53	61.9 Å²	61.9	23%	0.232	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-37.6	-165.7	-66.3	-117.6	0	0	0	114	E34 N35 R408 L413	E34-F38 VanDerWaalsContact O-CE2 3.23Å; E34-F38 WeakPolarHBondContact O-CE2 3.49Å; N35-F38 VanDerWaalsContact C-CD2 3.41Å; N35-F38 HydrophobicContact CB-CB 4.08Å; N35-F38 HydrophobicContact CB-CD2 4.13Å; N35-F38 HydrophobicContact CB-CG 4.21Å; N35-F38 WeakPolarHBondContact O-CB 3.3Å; N35-F38 WeakPolarHBondContact O-CD2 3.31Å; N35-F38 PolarHBondContact O-N 3.29Å; F38-R408 VanDerWaalsContact CA-CZ 3.43Å; F38-R408 VanDerWaalsContact CA-NH2 3.25Å; F38-R408 PolarHBondContact O-NH2 3.45Å; F38-L413 HydrophobicContact CD1-CB 4.48Å; F38-L413 HydrophobicContact CE1-CB 3.46Å; F38-L413 VanDerWaalsContact CE1-CB 3.46Å; F38-L413 HydrophobicContact CE1-CD1 3.85Å; F38-L413 HydrophobicContact CE1-CG 4.3Å; F38-L413 HydrophobicContact CZ-CB 3.94Å; F38-L413 HydrophobicContact CZ-CD1 3.92Å
39	R	69.3	Low	80.3	Confident	119 Å²	119	58.4 Å²	58.4	45%	0.449	30%	0.295	S	S	.	.	S	Bend	trans	-145.7	164.1	175.4	60.2	-174.8	174.8	99.8	-4.1	110.1	E45	R39-E45 IonicContact CZ-OE1 2.82Å; R39-E45 IonicContact CZ-OE2 2.79Å; R39-E45 IonicContact NH1-OE1 3.43Å; R39-E45 PolarHBondContact NH1-OE1 2.89Å; R39-E45 IonicContact NH1-OE2 3.53Å; R39-E45 PolarHBondContact NH1-OE2 2.82Å; R39-E45 IonicContact NH2-OE1 3.74Å; R39-E45 PolarHBondContact NH2-OE1 3.01Å; R39-E45 IonicContact NH2-OE2 3.67Å
40	E	71.2	Confident	80.3	Confident	144 Å²	144	60.5 Å²	60.5	67%	0.673	30%	0.303	S	S	*	.			trans	-74.3	139.3	165.3	-59.9	-159.9	141.9	0	0	108.6	K103	E40-K103 IonicContact OE1-NZ 2.98Å; E40-K103 PolarHBondContact OE1-NZ 2.8Å
41	L	80.3	Confident	80.3	Confident	24 Å²	24	62.1 Å²	62.1	13%	0.126	31%	0.311	C	S	.	.			trans	-68.8	134.8	174.3	-61.5	169.9	0	0	0	109.3	I32 E45 K46 L49 L65	I32-L41 HydrophobicContact CG1-CD2 4.49Å; I32-L41 HydrophobicContact CG2-CD2 3.64Å; L41-E45 WeakPolarHBondContact CA-OE2 3.4Å; L41-E45 HydrophobicContact CB-CB 4.24Å; L41-E45 HydrophobicContact CD2-CB 4.2Å; L41-K46 HydrophobicContact CB-CG 3.84Å; L41-K46 HydrophobicContact CD1-CG 4.29Å; L41-K46 WeakPolarHBondContact O-CE 3.31Å; L41-L49 HydrophobicContact CD1-CD1 3.38Å; L41-L49 HydrophobicContact CD2-CD1 4.43Å; L41-L65 HydrophobicContact CD1-CB 4.4Å; L41-L65 HydrophobicContact CD1-CD2 3.94Å
42	D	85.2	Confident	80.6	Confident	73 Å²	73	60.7 Å²	60.7	39%	0.39	30%	0.301	S	S	.	.			trans	-72.2	177.5	169.8	64.4	46.3	0	0	0	111.2	D44 E45 K46	D42-D44 PolarHBondContact OD1-N 3.28Å; D42-D44 VanDerWaalsContact OD1-N 3.09Å; D42-E45 PolarHBondContact N-OE2 2.71Å; D42-E45 WeakPolarHBondContact OD1-CB 3.04Å; D42-E45 VanDerWaalsContact OD1-CG 3.24Å; D42-E45 WeakPolarHBondContact OD1-CG 3.42Å; D42-E45 PolarHBondContact OD1-N 2.85Å; D42-K46 WeakPolarHBondContact O-CG 3.23Å; D42-K46 PolarHBondContact O-N 3.13Å
43	A	85.7	Confident	80.8	Confident	66 Å²	66	64.1 Å²	64.1	55%	0.545	31%	0.314	S	S	.	.	H	α-helix	trans	-66.3	-41	-176.9	0	0	0	0	0	111.9	E45 K46 D47	A43-E45 VanDerWaalsContact C-N 3.34Å; A43-E45 PolarHBondContact O-N 3.42Å; A43-K46 PolarHBondContact O-N 3.02Å; A43-D47 PolarHBondContact O-N 3.44Å
44	D	88.1	Confident	81.1	Confident	129 Å²	129	64.8 Å²	64.8	69%	0.69	32%	0.318	S	S	*	.	H	α-helix	trans	-66.8	-39.2	-177	-61.5	-27.9	0	0	0	110.7	D42 D47 F48	D42-D44 PolarHBondContact OD1-N 3.28Å; D42-D44 VanDerWaalsContact OD1-N 3.09Å; D44-D47 PolarHBondContact O-N 3.44Å; D44-F48 VanDerWaalsContact O-CB 3.26Å; D44-F48 WeakPolarHBondContact O-CB 2.97Å; D44-F48 PolarHBondContact O-N 3.42Å
45	E	88.8	Confident	81.8	Confident	18 Å²	18	60.8 Å²	60.8	8%	0.084	30%	0.298	C	S	.	.	H	α-helix	trans	-66.5	-38.5	175.8	-71.8	173.6	152.3	0	0	113	I32 R39 L41 D42 A43 F48 L49	I32-E45 HydrophobicContact CD1-CB 4.22Å; I32-E45 HydrophobicContact CD1-CG 4.08Å; R39-E45 IonicContact CZ-OE1 2.82Å; R39-E45 IonicContact CZ-OE2 2.79Å; R39-E45 IonicContact NH1-OE1 3.43Å; R39-E45 PolarHBondContact NH1-OE1 2.89Å; R39-E45 IonicContact NH1-OE2 3.53Å; R39-E45 PolarHBondContact NH1-OE2 2.82Å; R39-E45 IonicContact NH2-OE1 3.74Å; R39-E45 PolarHBondContact NH2-OE1 3.01Å; R39-E45 IonicContact NH2-OE2 3.67Å; L41-E45 WeakPolarHBondContact CA-OE2 3.4Å; L41-E45 HydrophobicContact CB-CB 4.24Å; L41-E45 HydrophobicContact CD2-CB 4.2Å; D42-E45 PolarHBondContact N-OE2 2.71Å; D42-E45 WeakPolarHBondContact OD1-CB 3.04Å; D42-E45 VanDerWaalsContact OD1-CG 3.24Å; D42-E45 WeakPolarHBondContact OD1-CG 3.42Å; D42-E45 PolarHBondContact OD1-N 2.85Å; A43-E45 VanDerWaalsContact C-N 3.34Å; A43-E45 PolarHBondContact O-N 3.42Å; E45-F48 PolarHBondContact O-N 2.96Å; E45-L49 WeakPolarHBondContact O-CB 3.22Å; E45-L49 WeakPolarHBondContact O-CG 3.25Å; E45-L49 PolarHBondContact O-N 3.1Å
46	K	86.9	Confident	82.8	Confident	81 Å²	81	59 Å²	59	35%	0.352	29%	0.288	S	S	.	.	H	α-helix	trans	-65.9	-46.5	175	-73.8	178.2	-176.4	178.9	0	110.9	L41 D42 A43 F48 L49 W50 S69	L41-K46 HydrophobicContact CB-CG 3.84Å; L41-K46 HydrophobicContact CD1-CG 4.29Å; L41-K46 WeakPolarHBondContact O-CE 3.31Å; D42-K46 WeakPolarHBondContact O-CG 3.23Å; D42-K46 PolarHBondContact O-N 3.13Å; A43-K46 PolarHBondContact O-N 3.02Å; K46-F48 VanDerWaalsContact C-N 3.27Å; K46-F48 PolarHBondContact O-N 3.3Å; K46-L49 PolarHBondContact O-N 3Å; K46-W50 WeakPolarHBondContact O-CB 3.45Å; K46-W50 PolarHBondContact O-N 3.29Å; K46-S69 WeakPolarHBondContact O-CB 3.15Å
47	D	88.5	Confident	83.7	Confident	97 Å²	97	57.7 Å²	57.7	52%	0.519	28%	0.284	S	S	.	.	H	α-helix	trans	-60.7	-41.8	177.5	-74.1	-12.4	0	0	0	110.4	A43 D44 W50 E51	A43-D47 PolarHBondContact O-N 3.44Å; D44-D47 PolarHBondContact O-N 3.44Å; D47-W50 PolarHBondContact O-N 2.93Å; D47-E51 WeakPolarHBondContact O-CB 3.42Å; D47-E51 PolarHBondContact O-N 2.86Å
48	F	91	Very high	85	Confident	38 Å²	38	60 Å²	60	17%	0.167	30%	0.301	C	S	.	.	H	α-helix	trans	-63.8	-47	176.4	-171.5	-114.8	0	0	0	113.1	L28 L29 D44 E45 K46 W50 E51 K52	L28-F48 HydrophobicContact CB-CE1 4.27Å; L28-F48 HydrophobicContact CD2-CD1 3.9Å; L28-F48 HydrophobicContact CD2-CE1 3.67Å; L28-F48 HydrophobicContact CD2-CZ 4.26Å; L28-F48 HydrophobicContact CG-CD1 4.39Å; L28-F48 HydrophobicContact CG-CE1 4.07Å; L29-F48 HydrophobicContact CD1-CE1 4.41Å; L29-F48 HydrophobicContact CD2-CD1 3.82Å; L29-F48 HydrophobicContact CD2-CE1 3.71Å; L29-F48 HydrophobicContact CG-CD1 4.36Å; L29-F48 HydrophobicContact CG-CE1 3.73Å; D44-F48 VanDerWaalsContact O-CB 3.26Å; D44-F48 WeakPolarHBondContact O-CB 2.97Å; D44-F48 PolarHBondContact O-N 3.42Å; E45-F48 PolarHBondContact O-N 2.96Å; K46-F48 VanDerWaalsContact C-N 3.27Å; K46-F48 PolarHBondContact O-N 3.3Å; F48-W50 VanDerWaalsContact C-N 3.32Å; F48-W50 PolarHBondContact O-N 3.32Å; F48-E51 PolarHBondContact O-N 3.06Å; F48-K52 HydrophobicContact CD2-CG 4.4Å; F48-K52 HydrophobicContact CE2-CG 4.13Å; F48-K52 HydrophobicContact CZ-CG 4.26Å; F48-K52 WeakPolarHBondContact O-CG 3.49Å; F48-K52 PolarHBondContact O-N 2.78Å
49	L	89.6	Confident	86.5	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.2	-43.8	174.4	-83.5	168.4	0	0	0	111.8	L29 I32 L41 E45 K46 K52 R53 L56 L65 V66	L29-L49 HydrophobicContact CD2-CD2 3.81Å; L29-L49 HydrophobicContact CD2-CG 4.47Å; I32-L49 HydrophobicContact CG2-CD1 3.82Å; I32-L49 HydrophobicContact CG2-CD2 4.1Å; I32-L49 HydrophobicContact CG2-CG 4.2Å; L41-L49 HydrophobicContact CD1-CD1 3.38Å; L41-L49 HydrophobicContact CD2-CD1 4.43Å; E45-L49 WeakPolarHBondContact O-CB 3.22Å; E45-L49 WeakPolarHBondContact O-CG 3.25Å; E45-L49 PolarHBondContact O-N 3.1Å; K46-L49 PolarHBondContact O-N 3Å; L49-K52 PolarHBondContact O-N 2.68Å; L49-R53 PolarHBondContact O-N 2.8Å; L49-L56 HydrophobicContact CD2-CD1 3.87Å; L49-L65 HydrophobicContact CD1-CB 4Å; L49-V66 HydrophobicContact CD2-CG2 4.49Å
50	W	89.1	Confident	87.3	Confident	44 Å²	44	55.5 Å²	55.5	17%	0.167	29%	0.289	C	S	.	.	H	α-helix	trans	-65.7	-43	179.3	-172.7	-108.6	0	0	0	111.1	K46 D47 F48 K52 R53 V66 A70 V71 L81	K46-W50 WeakPolarHBondContact O-CB 3.45Å; K46-W50 PolarHBondContact O-N 3.29Å; D47-W50 PolarHBondContact O-N 2.93Å; F48-W50 VanDerWaalsContact C-N 3.32Å; F48-W50 PolarHBondContact O-N 3.32Å; W50-K52 VanDerWaalsContact C-N 3.34Å; W50-K52 PolarHBondContact O-N 3.12Å; W50-R53 WeakPolarHBondContact O-CB 3.21Å; W50-R53 WeakPolarHBondContact O-CD 3.12Å; W50-R53 WeakPolarHBondContact O-CG 3.42Å; W50-R53 PolarHBondContact O-N 3.28Å; W50-R53 PolarHBondContact O-NH1 3.31Å; W50-V66 HydrophobicContact CE3-CG1 4.3Å; W50-V66 HydrophobicContact CZ3-CG1 4.39Å; W50-A70 VanDerWaalsContact CE3-CA 3.45Å; W50-A70 HydrophobicContact CE3-CB 4.01Å; W50-A70 HydrophobicContact CH2-CB 3.58Å; W50-A70 HydrophobicContact CZ2-CB 4.33Å; W50-A70 HydrophobicContact CZ3-CB 3.39Å; W50-V71 HydrophobicContact CG-CG2 4.23Å; W50-L81 HydrophobicContact CH2-CD2 3.61Å; W50-L81 HydrophobicContact CH2-CG 4.19Å; W50-L81 HydrophobicContact CZ3-CD2 3.97Å
51	E	88	Confident	87.9	Confident	115 Å²	115	52.3 Å²	52.3	54%	0.537	27%	0.274	S	S	.	.	H	α-helix	trans	-59.1	-44.7	176.1	-165.6	-163	142.8	0	0	111.5	D47 F48	D47-E51 WeakPolarHBondContact O-CB 3.42Å; D47-E51 PolarHBondContact O-N 2.86Å; F48-E51 PolarHBondContact O-N 3.06Å
52	K	90	Very high	88.2	Confident	38 Å²	38	51.1 Å²	51.1	17%	0.165	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	8.4	-175.5	-53.4	-48	-174.6	-167.7	0	114.7	L21 L29 F48 L49 W50 V54 Y55	L21-K52 HydrophobicContact CD2-CD 3.96Å; L21-K52 HydrophobicContact CD2-CG 4.43Å; L29-K52 HydrophobicContact CD1-CB 4.01Å; L29-K52 HydrophobicContact CD1-CG 4.34Å; F48-K52 HydrophobicContact CD2-CG 4.4Å; F48-K52 HydrophobicContact CE2-CG 4.13Å; F48-K52 HydrophobicContact CZ-CG 4.26Å; F48-K52 WeakPolarHBondContact O-CG 3.49Å; F48-K52 PolarHBondContact O-N 2.78Å; L49-K52 PolarHBondContact O-N 2.68Å; W50-K52 VanDerWaalsContact C-N 3.34Å; W50-K52 PolarHBondContact O-N 3.12Å; K52-V54 PolarHBondContact O-N 2.91Å; K52-Y55 HydrophobicContact CB-CD2 4.21Å; K52-Y55 HydrophobicContact CD-CD2 4.44Å; K52-Y55 HydrophobicContact CD-CE2 4.41Å; K52-Y55 WeakPolarHBondContact O-CB 3.39Å; K52-Y55 WeakPolarHBondContact O-CD2 3.43Å; K52-Y55 PolarHBondContact O-N 3.26Å
53	R	90.1	Very high	88.3	Confident	74 Å²	74	48 Å²	48	28%	0.279	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-49.5	-34.9	-174.2	67.3	-168.1	178.9	-77.3	-3	115.8	L49 W50 Y55 L56 V66 L84	L49-R53 PolarHBondContact O-N 2.8Å; W50-R53 WeakPolarHBondContact O-CB 3.21Å; W50-R53 WeakPolarHBondContact O-CD 3.12Å; W50-R53 WeakPolarHBondContact O-CG 3.42Å; W50-R53 PolarHBondContact O-N 3.28Å; W50-R53 PolarHBondContact O-NH1 3.31Å; R53-Y55 VanDerWaalsContact C-N 3.29Å; R53-Y55 PolarHBondContact O-N 3.4Å; R53-L56 PolarHBondContact O-N 3.17Å; R53-V66 HydrophobicContact CB-CG1 3.68Å; R53-V66 HydrophobicContact CB-CG2 4.46Å; R53-L84 HydrophobicContact CB-CD2 4.42Å; R53-L84 HydrophobicContact CG-CD1 4.48Å; R53-L84 HydrophobicContact CG-CD2 4.37Å
54	V	88.8	Confident	88.1	Confident	22 Å²	22	45 Å²	45	13%	0.133	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-71.5	-21.1	-178.1	-64.9	0	0	0	0	113.7	V13 M16 K52 L56 T57	V13-V54 HydrophobicContact CG1-CG1 3.75Å; M16-V54 HydrophobicContact CB-CG2 4.39Å; M16-V54 HydrophobicContact CE-CG2 4.48Å; M16-V54 HydrophobicContact CG-CG2 4.07Å; M16-V54 PolarHBondContact N-O 3.11Å; M16-V54 HydrophobicContact SD-CG2 3.81Å; K52-V54 PolarHBondContact O-N 2.91Å; V54-L56 VanDerWaalsContact C-N 3.33Å; V54-T57 PolarHBondContact O-OG1 2.76Å
55	Y	90.8	Very high	88	Confident	48 Å²	48	39.3 Å²	39.3	19%	0.188	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-83.2	-11.2	174.9	-61.2	-85.4	0	0	0	112.7	M16 D17 Q20 L21 K52 R53	M16-Y55 HydrophobicContact CB-CD1 3.4Å; M16-Y55 VanDerWaalsContact CB-CD1 3.4Å; M16-Y55 HydrophobicContact CB-CE1 3.42Å; M16-Y55 VanDerWaalsContact CB-CE1 3.42Å; M16-Y55 HydrophobicContact CB-CG 4.04Å; M16-Y55 HydrophobicContact CG-CE1 4.16Å; M16-Y55 HydrophobicContact SD-CD1 4.47Å; M16-Y55 HydrophobicContact SD-CE1 3.69Å; M16-Y55 HydrophobicContact SD-CE2 3.92Å; M16-Y55 PolarHBondContact SD-OH 3.43Å; D17-Y55 WeakPolarHBondContact O-CD1 3.46Å; Q20-Y55 HydrophobicContact CB-CE1 4.21Å; L21-Y55 HydrophobicContact CD1-CD1 4.3Å; L21-Y55 HydrophobicContact CD1-CD2 4.32Å; L21-Y55 HydrophobicContact CD1-CG 3.89Å; L21-Y55 HydrophobicContact CD2-CD1 4.18Å; L21-Y55 HydrophobicContact CD2-CD2 3.86Å; L21-Y55 HydrophobicContact CD2-CE1 4.2Å; L21-Y55 HydrophobicContact CD2-CE2 3.88Å; L21-Y55 HydrophobicContact CD2-CG 4.02Å; L21-Y55 HydrophobicContact CG-CD1 3.86Å; L21-Y55 HydrophobicContact CG-CD2 4.23Å; L21-Y55 HydrophobicContact CG-CE1 4.22Å; L21-Y55 HydrophobicContact CG-CG 3.86Å; K52-Y55 HydrophobicContact CB-CD2 4.21Å; K52-Y55 HydrophobicContact CD-CD2 4.44Å; K52-Y55 HydrophobicContact CD-CE2 4.41Å; K52-Y55 WeakPolarHBondContact O-CB 3.39Å; K52-Y55 WeakPolarHBondContact O-CD2 3.43Å; K52-Y55 PolarHBondContact O-N 3.26Å; R53-Y55 VanDerWaalsContact C-N 3.29Å; R53-Y55 PolarHBondContact O-N 3.4Å
56	L	90.9	Very high	87.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-103.3	-1.4	-172.4	-62	177.2	0	0	0	113.3	F18 L29 I33 L49 R53 V54 A58 M59 A62 V66 W88	F18-L56 HydrophobicContact CD2-CD2 4.03Å; F18-L56 HydrophobicContact CE2-CD2 3.91Å; L29-L56 HydrophobicContact CB-CD2 4.48Å; L29-L56 HydrophobicContact CD1-CD2 4.13Å; L29-L56 HydrophobicContact CD2-CD1 4.27Å; I33-L56 HydrophobicContact CD1-CD2 3.89Å; L49-L56 HydrophobicContact CD2-CD1 3.87Å; R53-L56 PolarHBondContact O-N 3.17Å; V54-L56 VanDerWaalsContact C-N 3.33Å; L56-A58 PolarHBondContact O-N 2.86Å; L56-M59 HydrophobicContact CD2-SD 3.96Å; L56-M59 WeakPolarHBondContact O-CA 3.45Å; L56-M59 WeakPolarHBondContact O-CB 3.44Å; L56-M59 PolarHBondContact O-N 3.08Å; L56-A62 HydrophobicContact CB-CB 4Å; L56-A62 HydrophobicContact CD1-CB 4.22Å; L56-A62 HydrophobicContact CG-CB 4.49Å; L56-V66 HydrophobicContact CD1-CG2 3.8Å; L56-W88 HydrophobicContact CB-CH2 3.95Å; L56-W88 HydrophobicContact CB-CZ2 4.25Å; L56-W88 VanDerWaalsContact O-CZ2 3.24Å; L56-W88 WeakPolarHBondContact O-CZ2 3.34Å
57	T	88.1	Confident	87.8	Confident	6 Å²	6	35 Å²	35	4%	0.037	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.6	-174.9	52.9	0	0	0	0	113.7	P15 V54 M59 L84 I87 W88 T89	P15-T57 WeakPolarHBondContact CB-OG1 3.11Å; V54-T57 PolarHBondContact O-OG1 2.76Å; T57-M59 VanDerWaalsContact C-N 3.3Å; T57-L84 HydrophobicContact CG2-CD1 3.96Å; T57-I87 HydrophobicContact CG2-CD1 3.72Å; T57-I87 HydrophobicContact CG2-CG1 3.97Å; T57-W88 HydrophobicContact CG2-CE3 4.01Å; T57-W88 HydrophobicContact CG2-CZ3 4.26Å; T57-T89 PolarHBondContact O-N 3.32Å; T57-T89 PolarHBondContact O-OG1 3.37Å
58	A	88.3	Confident	87.4	Confident	72 Å²	72	32.7 Å²	32.7	60%	0.595	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-14.2	173	0	0	0	0	0	113.4	L56 P60	L56-A58 PolarHBondContact O-N 2.86Å; A58-P60 VanDerWaalsContact O-CD 3.27Å; A58-P60 WeakPolarHBondContact O-CD 3.09Å
59	M	88	Confident	87.2	Confident	47 Å²	47	31.2 Å²	31.2	23%	0.232	16%	0.163	C	C	.	.			trans	-103	95.9	-178.6	-61.8	-178.6	176.6	0	0	109.6	F18 I33 L56 T57 E61 A62 W88	F18-M59 HydrophobicContact CB-CE 4.11Å; F18-M59 HydrophobicContact CD1-CE 3.5Å; F18-M59 HydrophobicContact CD2-CE 3.57Å; F18-M59 HydrophobicContact CD2-SD 4.24Å; F18-M59 HydrophobicContact CE1-CE 3.69Å; F18-M59 HydrophobicContact CE2-CE 3.75Å; F18-M59 HydrophobicContact CE2-SD 4.25Å; F18-M59 HydrophobicContact CG-CE 3.44Å; F18-M59 VanDerWaalsContact CG-CE 3.44Å; F18-M59 HydrophobicContact CZ-CE 3.8Å; I33-M59 HydrophobicContact CD1-SD 3.88Å; L56-M59 HydrophobicContact CD2-SD 3.96Å; L56-M59 WeakPolarHBondContact O-CA 3.45Å; L56-M59 WeakPolarHBondContact O-CB 3.44Å; L56-M59 PolarHBondContact O-N 3.08Å; T57-M59 VanDerWaalsContact C-N 3.3Å; M59-E61 PolarHBondContact O-N 2.69Å; M59-A62 HydrophobicContact CB-CB 4.24Å; M59-A62 PolarHBondContact O-N 2.81Å; M59-A62 VanDerWaalsContact O-N 3.11Å; M59-W88 PolarHBondContact O-NE1 2.78Å
60	P	85.2	Confident	86.8	Confident	29 Å²	29	31.9 Å²	31.9	19%	0.188	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-58.8	-27.4	-177.1	23.7	-34	0	0	0	112.8	A58 A62 L63 L91	A58-P60 VanDerWaalsContact O-CD 3.27Å; A58-P60 WeakPolarHBondContact O-CD 3.09Å; P60-A62 VanDerWaalsContact C-N 3.3Å; P60-A62 PolarHBondContact O-N 2.72Å; P60-L63 PolarHBondContact O-N 3.02Å; P60-L91 HydrophobicContact CB-CD1 4.4Å; P60-L91 HydrophobicContact CB-CG 4.28Å
61	E	84.3	Confident	86.2	Confident	77 Å²	77	34.8 Å²	34.8	36%	0.36	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-69.8	-24	-178.2	-46.9	-160	133.4	0	0	114.2	I33 R36 M59 P64 L95	I33-E61 HydrophobicContact CG2-CB 3.86Å; R36-E61 WeakPolarHBondContact CD-O 3.49Å; R36-E61 VanDerWaalsContact CZ-CD 3.49Å; R36-E61 IonicContact CZ-OE1 3.16Å; R36-E61 IonicContact CZ-OE2 3.34Å; R36-E61 VanDerWaalsContact CZ-OE2 3.28Å; R36-E61 IonicContact NH1-OE1 2.81Å; R36-E61 IonicContact NH1-OE2 2.72Å; R36-E61 PolarHBondContact NH1-OE2 3.29Å; R36-E61 IonicContact NH2-OE1 3.14Å; R36-E61 PolarHBondContact NH2-OE1 3.02Å; R36-E61 IonicContact NH2-OE2 2.95Å; R36-E61 PolarHBondContact NH2-OE2 2.75Å; M59-E61 PolarHBondContact O-N 2.69Å; E61-P64 WeakPolarHBondContact O-CD 3.42Å; E61-L95 HydrophobicContact CB-CD1 4.34Å; E61-L95 HydrophobicContact CG-CD1 3.82Å
62	A	87.6	Confident	85.4	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-80.7	-17.4	-179	0	0	0	0	0	112.8	I33 L56 M59 P60 L65 V66 W88	I33-A62 HydrophobicContact CD1-CB 3.73Å; I33-A62 HydrophobicContact CG1-CB 3.95Å; L56-A62 HydrophobicContact CB-CB 4Å; L56-A62 HydrophobicContact CD1-CB 4.22Å; L56-A62 HydrophobicContact CG-CB 4.49Å; M59-A62 HydrophobicContact CB-CB 4.24Å; M59-A62 PolarHBondContact O-N 2.81Å; M59-A62 VanDerWaalsContact O-N 3.11Å; P60-A62 VanDerWaalsContact C-N 3.3Å; P60-A62 PolarHBondContact O-N 2.72Å; A62-L65 PolarHBondContact O-N 3.33Å; A62-V66 WeakPolarHBondContact O-CG2 3.42Å; A62-V66 PolarHBondContact O-N 3.23Å; A62-W88 HydrophobicContact CB-CH2 4.5Å; A62-W88 HydrophobicContact CB-CZ2 3.95Å
63	L	87.6	Confident	84.6	Confident	6 Å²	6	32.9 Å²	32.9	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-57.3	-49.4	-173.7	-178.2	64.1	0	0	0	113.3	P60 L65 V66 L67 L85 W88 L91 L99	P60-L63 PolarHBondContact O-N 3.02Å; L63-L65 VanDerWaalsContact C-N 3.26Å; L63-L65 PolarHBondContact O-N 3.32Å; L63-V66 PolarHBondContact O-N 3.07Å; L63-L67 HydrophobicContact CD1-CD1 3.87Å; L63-L67 HydrophobicContact CD1-CD2 4.27Å; L63-L67 HydrophobicContact CD1-CG 3.78Å; L63-L67 HydrophobicContact CD2-CD1 4.42Å; L63-L67 HydrophobicContact CG-CD1 3.87Å; L63-L67 HydrophobicContact CG-CG 4.19Å; L63-L67 WeakPolarHBondContact O-CB 3.4Å; L63-L67 WeakPolarHBondContact O-CG 3.26Å; L63-L67 PolarHBondContact O-N 3.25Å; L63-L85 HydrophobicContact CD1-CD2 3.74Å; L63-L85 HydrophobicContact CD2-CD2 3.99Å; L63-L85 HydrophobicContact CG-CD2 4.44Å; L63-W88 VanDerWaalsContact CA-CZ2 3.49Å; L63-W88 HydrophobicContact CB-CD2 4.13Å; L63-W88 HydrophobicContact CB-CG 4.46Å; L63-W88 HydrophobicContact CB-CZ2 3.82Å; L63-W88 HydrophobicContact CD1-CD2 3.6Å; L63-W88 HydrophobicContact CD1-CE3 3.67Å; L63-W88 HydrophobicContact CD1-CG 4.06Å; L63-W88 HydrophobicContact CD1-CH2 4.32Å; L63-W88 HydrophobicContact CD1-CZ2 4.26Å; L63-W88 HydrophobicContact CD1-CZ3 4.04Å; L63-W88 HydrophobicContact CD2-CG 4.43Å; L63-W88 HydrophobicContact CG-CD2 4.33Å; L63-W88 VanDerWaalsContact N-CZ2 3.35Å; L63-L91 HydrophobicContact CB-CD1 4.04Å; L63-L91 HydrophobicContact CB-CD2 4.36Å; L63-L91 HydrophobicContact CD2-CD1 3.33Å; L63-L91 HydrophobicContact CD2-CD2 4.1Å; L63-L91 HydrophobicContact CD2-CG 4.36Å; L63-L91 HydrophobicContact CG-CD1 4.31Å; L63-L99 HydrophobicContact CD2-CD1 4.15Å
64	P	81.4	Confident	83.5	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.019	19%	0.191	C	C	.	.	H	α-helix	trans	-59.6	-38.3	180	-22.8	35	0	0	0	112.5	E61 S68 L91 E98 L99	E61-P64 WeakPolarHBondContact O-CD 3.42Å; P64-S68 WeakPolarHBondContact O-CB 3.21Å; P64-S68 PolarHBondContact O-N 2.97Å; P64-S68 PolarHBondContact O-OG 3.34Å; P64-L91 HydrophobicContact CG-CD2 4.46Å; P64-E98 HydrophobicContact CB-CB 4.46Å; P64-E98 HydrophobicContact CB-CG 4.14Å; P64-E98 WeakPolarHBondContact CB-OE1 3.24Å; P64-E98 HydrophobicContact CG-CB 4.31Å; P64-E98 HydrophobicContact CG-CG 4.45Å; P64-L99 HydrophobicContact CB-CD2 4.05Å; P64-L99 HydrophobicContact CG-CD2 3.93Å
65	L	85.1	Confident	82.4	Confident	10 Å²	10	40.5 Å²	40.5	5%	0.052	22%	0.216	C	C	.	.	H	α-helix	trans	-68	-46.9	178.1	-64.5	-175.5	0	0	0	111.7	I32 I33 R36 L41 L49 A62 L63 L67 S68 S69	I32-L65 HydrophobicContact CG2-CD1 3.77Å; I33-L65 HydrophobicContact CG1-CD1 4.41Å; R36-L65 HydrophobicContact CB-CD1 3.56Å; R36-L65 HydrophobicContact CB-CD2 3.9Å; R36-L65 HydrophobicContact CB-CG 3.87Å; L41-L65 HydrophobicContact CD1-CB 4.4Å; L41-L65 HydrophobicContact CD1-CD2 3.94Å; L49-L65 HydrophobicContact CD1-CB 4Å; A62-L65 PolarHBondContact O-N 3.33Å; L63-L65 VanDerWaalsContact C-N 3.26Å; L63-L65 PolarHBondContact O-N 3.32Å; L65-L67 PolarHBondContact O-N 3.39Å; L65-S68 PolarHBondContact O-N 2.79Å; L65-S68 VanDerWaalsContact O-N 3.17Å; L65-S68 PolarHBondContact O-OG 3.03Å; L65-S69 WeakPolarHBondContact O-CB 3.31Å; L65-S69 PolarHBondContact O-N 3.31Å; L65-S69 PolarHBondContact O-OG 3.22Å
66	V	87.8	Confident	81.4	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-44.8	178.8	168.1	0	0	0	0	111.1	L49 W50 R53 L56 A62 L63 S68 S69 A70 L84 W88	L49-V66 HydrophobicContact CD2-CG2 4.49Å; W50-V66 HydrophobicContact CE3-CG1 4.3Å; W50-V66 HydrophobicContact CZ3-CG1 4.39Å; R53-V66 HydrophobicContact CB-CG1 3.68Å; R53-V66 HydrophobicContact CB-CG2 4.46Å; L56-V66 HydrophobicContact CD1-CG2 3.8Å; A62-V66 WeakPolarHBondContact O-CG2 3.42Å; A62-V66 PolarHBondContact O-N 3.23Å; L63-V66 PolarHBondContact O-N 3.07Å; V66-S68 VanDerWaalsContact C-N 3.31Å; V66-S68 PolarHBondContact O-N 2.75Å; V66-S69 CarbonylContact O-C 3.59Å; V66-S69 PolarHBondContact O-N 2.82Å; V66-S69 VanDerWaalsContact O-N 3.09Å; V66-A70 PolarHBondContact O-N 3.21Å; V66-L84 HydrophobicContact CG1-CD2 4.13Å; V66-W88 HydrophobicContact CB-CH2 3.97Å; V66-W88 HydrophobicContact CB-CZ3 4.41Å; V66-W88 HydrophobicContact CG1-CH2 4.15Å; V66-W88 HydrophobicContact CG1-CZ3 4.13Å; V66-W88 HydrophobicContact CG2-CH2 3.81Å
67	L	84.4	Confident	80.4	Confident	8 Å²	8	42.8 Å²	42.8	4%	0.042	24%	0.243	C	C	.	.	H	α-helix	trans	-64.3	-36.3	175.9	-67.9	178.4	0	0	0	112.1	L63 L65 S69 A70 W73 L81 L85 L99 L104	L63-L67 HydrophobicContact CD1-CD1 3.87Å; L63-L67 HydrophobicContact CD1-CD2 4.27Å; L63-L67 HydrophobicContact CD1-CG 3.78Å; L63-L67 HydrophobicContact CD2-CD1 4.42Å; L63-L67 HydrophobicContact CG-CD1 3.87Å; L63-L67 HydrophobicContact CG-CG 4.19Å; L63-L67 WeakPolarHBondContact O-CB 3.4Å; L63-L67 WeakPolarHBondContact O-CG 3.26Å; L63-L67 PolarHBondContact O-N 3.25Å; L65-L67 PolarHBondContact O-N 3.39Å; L67-S69 PolarHBondContact O-N 2.82Å; L67-A70 WeakPolarHBondContact O-CB 3.5Å; L67-A70 PolarHBondContact O-N 3.26Å; L67-W73 HydrophobicContact CB-CZ2 4.44Å; L67-W73 HydrophobicContact CD2-CH2 4.39Å; L67-L81 HydrophobicContact CD2-CD2 3.87Å; L67-L85 HydrophobicContact CD1-CD2 4.31Å; L67-L85 HydrophobicContact CD2-CD2 4.37Å; L67-L99 HydrophobicContact CD1-CD2 3.92Å; L67-L104 HydrophobicContact CB-CD2 3.44Å; L67-L104 VanDerWaalsContact CB-CD2 3.44Å; L67-L104 HydrophobicContact CD1-CD2 4.48Å
68	S	80.2	Confident	79.6	Confident	50 Å²	50	43.9 Å²	43.9	35%	0.35	25%	0.248	S	C	.	.	H	α-helix	trans	-70.6	-16.7	175.2	79.8	0	0	0	0	113.9	P64 L65 V66	P64-S68 WeakPolarHBondContact O-CB 3.21Å; P64-S68 PolarHBondContact O-N 2.97Å; P64-S68 PolarHBondContact O-OG 3.34Å; L65-S68 PolarHBondContact O-N 2.79Å; L65-S68 VanDerWaalsContact O-N 3.17Å; L65-S68 PolarHBondContact O-OG 3.03Å; V66-S68 VanDerWaalsContact C-N 3.31Å; V66-S68 PolarHBondContact O-N 2.75Å
69	S	85.1	Confident	78.9	Confident	6 Å²	6	41.8 Å²	41.8	4%	0.042	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	1.6	179.1	-52.2	0	0	0	0	112.8	K46 L65 V66 L67 V71	K46-S69 WeakPolarHBondContact O-CB 3.15Å; L65-S69 WeakPolarHBondContact O-CB 3.31Å; L65-S69 PolarHBondContact O-N 3.31Å; L65-S69 PolarHBondContact O-OG 3.22Å; V66-S69 CarbonylContact O-C 3.59Å; V66-S69 PolarHBondContact O-N 2.82Å; V66-S69 VanDerWaalsContact O-N 3.09Å; L67-S69 PolarHBondContact O-N 2.82Å; S69-V71 PolarHBondContact O-N 2.95Å
70	A	82.2	Confident	78.3	Confident	15 Å²	15	43.9 Å²	43.9	12%	0.124	24%	0.24	C	C	.	.			trans	-60.8	124.3	177.4	0	0	0	0	0	111.4	W50 V66 L67 C72 W73 L81	W50-A70 VanDerWaalsContact CE3-CA 3.45Å; W50-A70 HydrophobicContact CE3-CB 4.01Å; W50-A70 HydrophobicContact CH2-CB 3.58Å; W50-A70 HydrophobicContact CZ2-CB 4.33Å; W50-A70 HydrophobicContact CZ3-CB 3.39Å; V66-A70 PolarHBondContact O-N 3.21Å; L67-A70 WeakPolarHBondContact O-CB 3.5Å; L67-A70 PolarHBondContact O-N 3.26Å; A70-C72 VanDerWaalsContact C-N 3.26Å; A70-C72 PolarHBondContact O-N 3.23Å; A70-W73 HydrophobicContact CB-CZ2 4.46Å; A70-L81 HydrophobicContact CB-CD2 4.44Å
71	V	75.6	Confident	78	Confident	105 Å²	105	42.8 Å²	42.8	64%	0.636	23%	0.233	S	C	*	.	S	Bend	trans	-59.2	-38.2	-178.3	-179.9	0	0	0	0	111.9	W50 S69	W50-V71 HydrophobicContact CG-CG2 4.23Å; S69-V71 PolarHBondContact O-N 2.95Å
72	C	72	Confident	77.7	Confident	35 Å²	35	44.5 Å²	44.5	24%	0.236	24%	0.237	C	C	.	.			trans	-147.7	144.3	-172.2	43.3	0	0	0	0	110.4	A70 C77	A70-C72 VanDerWaalsContact C-N 3.26Å; A70-C72 PolarHBondContact O-N 3.23Å; C72-C77 HydrophobicContact CB-CB 4.1Å; C72-C77 WeakPolarHBondContact CB-SG 3.35Å; C72-C77 WeakPolarHBondContact O-CB 3.48Å; C72-C77 WeakPolarHBondContact SG-CB 3.15Å; C72-C77 CovalentContact SG-SG 2.05Å; C72-C77 PolarHBondContact SG-SG 3.2Å
73	W	72.5	Confident	77.3	Confident	78 Å²	78	45.1 Å²	45.1	30%	0.295	24%	0.241	S	C	.	.			trans	-115.1	26.1	168.3	-70.1	82.9	0	0	0	111.1	L67 A70 L78 L81 L104 A107 L108	L67-W73 HydrophobicContact CB-CZ2 4.44Å; L67-W73 HydrophobicContact CD2-CH2 4.39Å; A70-W73 HydrophobicContact CB-CZ2 4.46Å; W73-L78 HydrophobicContact CE3-CD2 4.34Å; W73-L81 HydrophobicContact CD2-CD1 4.23Å; W73-L81 HydrophobicContact CE3-CD1 3.99Å; W73-L81 HydrophobicContact CZ3-CD1 4.18Å; W73-L104 HydrophobicContact CZ2-CD2 4.42Å; W73-A107 HydrophobicContact CB-CB 3.81Å; W73-A107 HydrophobicContact CD2-CB 3.28Å; W73-A107 HydrophobicContact CE3-CB 3.84Å; W73-A107 HydrophobicContact CG-CB 3.26Å; W73-A107 HydrophobicContact CZ2-CB 4.26Å; W73-L108 HydrophobicContact CH2-CD1 3.75Å; W73-L108 HydrophobicContact CH2-CG 3.98Å; W73-L108 HydrophobicContact CZ3-CD1 4.06Å; W73-L108 HydrophobicContact CZ3-CD2 4.16Å; W73-L108 HydrophobicContact CZ3-CG 3.79Å
74	D	67.2	Low	77.1	Confident	85 Å²	85	45 Å²	45	46%	0.455	24%	0.24	S	C	.	.	S	Bend	trans	-71.4	165.7	173.2	69.2	34	0	0	0	110.9	A76 C77 L78	D74-A76 PolarHBondContact O-N 2.52Å; D74-A76 WeakPolarHBondContact OD1-CB 3.21Å; D74-A76 PolarHBondContact OD1-N 3.41Å; D74-C77 PolarHBondContact O-N 2.79Å; D74-C77 VanDerWaalsContact O-N 3.15Å; D74-C77 PolarHBondContact OD1-N 3.16Å; D74-C77 PolarHBondContact OD1-SG 3.3Å; D74-L78 WeakPolarHBondContact O-CG 3.13Å; D74-L78 PolarHBondContact O-N 3.3Å; D74-L78 VanDerWaalsContact O-N 3.14Å
75	W	65.5	Low	77.2	Confident	170 Å²	170	48.1 Å²	48.1	64%	0.644	26%	0.257	S	S	*	.	H	α-helix	trans	-61.9	-27.1	-175.5	-168.4	82.1	0	0	0	113.5	L6	L6-W75 HydrophobicContact CD2-CZ2 4.15Å
76	A	69.7	Low	77.1	Confident	72 Å²	72	53.2 Å²	53.2	60%	0.595	28%	0.284	S	S	*	.	H	α-helix	trans	-74	-35.3	178.4	0	0	0	0	0	111.9	D74	D74-A76 PolarHBondContact O-N 2.52Å; D74-A76 WeakPolarHBondContact OD1-CB 3.21Å; D74-A76 PolarHBondContact OD1-N 3.41Å
77	C	70.8	Confident	76.9	Confident	25 Å²	25	55.8 Å²	55.8	17%	0.169	30%	0.297	C	S	.	.	H	α-helix	trans	-78.5	-24.4	177.8	-55.8	0	0	0	0	112.8	C72 D74 T79 N80 L81	C72-C77 HydrophobicContact CB-CB 4.1Å; C72-C77 WeakPolarHBondContact CB-SG 3.35Å; C72-C77 WeakPolarHBondContact O-CB 3.48Å; C72-C77 WeakPolarHBondContact SG-CB 3.15Å; C72-C77 CovalentContact SG-SG 2.05Å; C72-C77 PolarHBondContact SG-SG 3.2Å; D74-C77 PolarHBondContact O-N 2.79Å; D74-C77 VanDerWaalsContact O-N 3.15Å; D74-C77 PolarHBondContact OD1-N 3.16Å; D74-C77 PolarHBondContact OD1-SG 3.3Å; C77-T79 PolarHBondContact O-N 3.02Å; C77-N80 PolarHBondContact O-N 2.78Å; C77-L81 PolarHBondContact O-N 2.88Å
78	L	71.5	Confident	77.1	Confident	29 Å²	29	56.4 Å²	56.4	15%	0.152	30%	0.299	C	S	.	.	H	α-helix	trans	-57.4	-43.8	-177.6	-77	178.9	0	0	0	112.9	W73 D74 N80 L81 Y82	W73-L78 HydrophobicContact CE3-CD2 4.34Å; D74-L78 WeakPolarHBondContact O-CG 3.13Å; D74-L78 PolarHBondContact O-N 3.3Å; D74-L78 VanDerWaalsContact O-N 3.14Å; L78-N80 VanDerWaalsContact C-N 3.29Å; L78-N80 PolarHBondContact O-N 2.85Å; L78-L81 HydrophobicContact CD2-CD1 4.46Å; L78-L81 WeakPolarHBondContact O-CB 3.31Å; L78-L81 PolarHBondContact O-N 2.89Å; L78-Y82 HydrophobicContact CB-CD2 4.29Å; L78-Y82 HydrophobicContact CB-CE2 4.26Å; L78-Y82 HydrophobicContact CD2-CE2 4.32Å; L78-Y82 WeakPolarHBondContact O-CD2 3.33Å; L78-Y82 PolarHBondContact O-N 3.05Å
79	T	73.4	Confident	77.4	Confident	28 Å²	28	57.2 Å²	57.2	17%	0.172	30%	0.302	C	S	.	.	H	α-helix	trans	-59.7	-41.5	-176.7	-43.6	0	0	0	0	112	S9 C77 Y82 S83	S9-T79 WeakPolarHBondContact OG-CG2 3.17Å; C77-T79 PolarHBondContact O-N 3.02Å; T79-Y82 PolarHBondContact O-N 3.08Å; T79-S83 PolarHBondContact O-N 3.4Å; T79-S83 PolarHBondContact O-OG 3.46Å
80	N	75.1	Confident	77.3	Confident	90 Å²	90	62.1 Å²	62.1	48%	0.481	34%	0.336	S	S	.	.	H	α-helix	trans	-67.6	-37.5	175.6	-70.4	-26.2	0	0	0	112.4	C77 L78 S83 L84	C77-N80 PolarHBondContact O-N 2.78Å; L78-N80 VanDerWaalsContact C-N 3.29Å; L78-N80 PolarHBondContact O-N 2.85Å; N80-S83 PolarHBondContact O-N 3.25Å; N80-L84 WeakPolarHBondContact O-CB 3.32Å; N80-L84 PolarHBondContact O-N 2.88Å
81	L	79.2	Confident	77.2	Confident	6 Å²	6	62.9 Å²	62.9	3%	0.031	34%	0.338	C	S	.	.	H	α-helix	trans	-63.8	-43.4	174.5	-80.6	166.7	0	0	0	111.8	W50 L67 A70 W73 C77 L78 L84 L85	W50-L81 HydrophobicContact CH2-CD2 3.61Å; W50-L81 HydrophobicContact CH2-CG 4.19Å; W50-L81 HydrophobicContact CZ3-CD2 3.97Å; L67-L81 HydrophobicContact CD2-CD2 3.87Å; A70-L81 HydrophobicContact CB-CD2 4.44Å; W73-L81 HydrophobicContact CD2-CD1 4.23Å; W73-L81 HydrophobicContact CE3-CD1 3.99Å; W73-L81 HydrophobicContact CZ3-CD1 4.18Å; C77-L81 PolarHBondContact O-N 2.88Å; L78-L81 HydrophobicContact CD2-CD1 4.46Å; L78-L81 WeakPolarHBondContact O-CB 3.31Å; L78-L81 PolarHBondContact O-N 2.89Å; L81-L84 PolarHBondContact O-N 3.05Å; L81-L85 WeakPolarHBondContact O-CG 3.36Å; L81-L85 PolarHBondContact O-N 3.49Å
82	Y	78.2	Confident	77.3	Confident	114 Å²	114	61 Å²	61	45%	0.447	33%	0.327	S	S	.	.	H	α-helix	trans	-64.6	-42.9	176	-81.5	-77.4	0	0	0	111.9	L6 L78 T79 L84 L85 N86	L6-Y82 HydrophobicContact CD1-CD2 4.25Å; L6-Y82 HydrophobicContact CD1-CE2 4.18Å; L78-Y82 HydrophobicContact CB-CD2 4.29Å; L78-Y82 HydrophobicContact CB-CE2 4.26Å; L78-Y82 HydrophobicContact CD2-CE2 4.32Å; L78-Y82 WeakPolarHBondContact O-CD2 3.33Å; L78-Y82 PolarHBondContact O-N 3.05Å; T79-Y82 PolarHBondContact O-N 3.08Å; Y82-L84 VanDerWaalsContact C-N 3.32Å; Y82-L84 PolarHBondContact O-N 3.48Å; Y82-L85 PolarHBondContact O-N 3.47Å; Y82-N86 PolarHBondContact O-N 3.04Å; Y82-N86 PolarHBondContact O-ND2 3.27Å
83	S	79.5	Confident	77.4	Confident	12 Å²	12	62.9 Å²	62.9	8%	0.084	35%	0.346	C	S	.	.	H	α-helix	trans	-60.8	-41	174	-64.5	0	0	0	0	112.1	T79 N80 N86 I87	T79-S83 PolarHBondContact O-N 3.4Å; T79-S83 PolarHBondContact O-OG 3.46Å; N80-S83 PolarHBondContact O-N 3.25Å; S83-N86 PolarHBondContact O-N 2.62Å; S83-I87 PolarHBondContact O-N 3.34Å
84	L	83.6	Confident	77.2	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.016	35%	0.349	C	S	.	.	H	α-helix	trans	-64	-41.4	175.4	-178	67.3	0	0	0	112.6	V13 R53 T57 V66 N80 L81 Y82 N86 I87 W88	V13-L84 HydrophobicContact CG1-CD1 4.38Å; R53-L84 HydrophobicContact CB-CD2 4.42Å; R53-L84 HydrophobicContact CG-CD1 4.48Å; R53-L84 HydrophobicContact CG-CD2 4.37Å; T57-L84 HydrophobicContact CG2-CD1 3.96Å; V66-L84 HydrophobicContact CG1-CD2 4.13Å; N80-L84 WeakPolarHBondContact O-CB 3.32Å; N80-L84 PolarHBondContact O-N 2.88Å; L81-L84 PolarHBondContact O-N 3.05Å; Y82-L84 VanDerWaalsContact C-N 3.32Å; Y82-L84 PolarHBondContact O-N 3.48Å; L84-N86 VanDerWaalsContact C-N 3.33Å; L84-N86 PolarHBondContact O-N 3.34Å; L84-I87 HydrophobicContact CD1-CD1 4.3Å; L84-I87 WeakPolarHBondContact O-CG1 3.43Å; L84-I87 PolarHBondContact O-N 3.3Å; L84-W88 HydrophobicContact CD1-CE3 4.04Å; L84-W88 HydrophobicContact CD1-CZ3 3.98Å; L84-W88 HydrophobicContact CD2-CE3 4.49Å; L84-W88 HydrophobicContact CD2-CZ3 4.14Å; L84-W88 HydrophobicContact CG-CE3 3.95Å; L84-W88 HydrophobicContact CG-CZ3 4.03Å; L84-W88 PolarHBondContact O-N 3Å
85	L	82.8	Confident	77.5	Confident	70 Å²	70	58.4 Å²	58.4	37%	0.366	33%	0.331	S	S	.	.	H	α-helix	trans	-66.2	-34.6	177.9	-75.1	170.8	0	0	0	112.4	L63 L67 L81 Y82 I87 W88	L63-L85 HydrophobicContact CD1-CD2 3.74Å; L63-L85 HydrophobicContact CD2-CD2 3.99Å; L63-L85 HydrophobicContact CG-CD2 4.44Å; L67-L85 HydrophobicContact CD1-CD2 4.31Å; L67-L85 HydrophobicContact CD2-CD2 4.37Å; L81-L85 WeakPolarHBondContact O-CG 3.36Å; L81-L85 PolarHBondContact O-N 3.49Å; Y82-L85 PolarHBondContact O-N 3.47Å; L85-I87 VanDerWaalsContact C-N 3.3Å; L85-I87 PolarHBondContact O-N 2.89Å; L85-W88 PolarHBondContact O-N 3.29Å
86	N	82.6	Confident	78	Confident	116 Å²	116	52 Å²	52	62%	0.62	32%	0.315	S	S	*	.	H	α-helix	trans	-67.4	-28.9	179.3	-77.1	-22.2	0	0	0	113.5	Y82 S83 L84	Y82-N86 PolarHBondContact O-N 3.04Å; Y82-N86 PolarHBondContact O-ND2 3.27Å; S83-N86 PolarHBondContact O-N 2.62Å; L84-N86 VanDerWaalsContact C-N 3.33Å; L84-N86 PolarHBondContact O-N 3.34Å
87	I	84.6	Confident	78.1	Confident	55 Å²	55	50.6 Å²	50.6	28%	0.282	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-6.8	178.1	64.3	170.1	0	0	0	113.1	V13 T57 S83 L84 L85	V13-I87 HydrophobicContact CB-CD1 4.22Å; V13-I87 HydrophobicContact CG1-CD1 3.66Å; T57-I87 HydrophobicContact CG2-CD1 3.72Å; T57-I87 HydrophobicContact CG2-CG1 3.97Å; S83-I87 PolarHBondContact O-N 3.34Å; L84-I87 HydrophobicContact CD1-CD1 4.3Å; L84-I87 WeakPolarHBondContact O-CG1 3.43Å; L84-I87 PolarHBondContact O-N 3.3Å; L85-I87 VanDerWaalsContact C-N 3.3Å; L85-I87 PolarHBondContact O-N 2.89Å
88	W	87.3	Confident	78.2	Confident	21 Å²	21	50.5 Å²	50.5	8%	0.08	29%	0.293	C	S	.	.	S	Bend	trans	-77.1	140.9	-175.5	-150.1	-71.8	0	0	0	111.8	L56 T57 M59 A62 L63 V66 L84 L85	L56-W88 HydrophobicContact CB-CH2 3.95Å; L56-W88 HydrophobicContact CB-CZ2 4.25Å; L56-W88 VanDerWaalsContact O-CZ2 3.24Å; L56-W88 WeakPolarHBondContact O-CZ2 3.34Å; T57-W88 HydrophobicContact CG2-CE3 4.01Å; T57-W88 HydrophobicContact CG2-CZ3 4.26Å; M59-W88 PolarHBondContact O-NE1 2.78Å; A62-W88 HydrophobicContact CB-CH2 4.5Å; A62-W88 HydrophobicContact CB-CZ2 3.95Å; L63-W88 VanDerWaalsContact CA-CZ2 3.49Å; L63-W88 HydrophobicContact CB-CD2 4.13Å; L63-W88 HydrophobicContact CB-CG 4.46Å; L63-W88 HydrophobicContact CB-CZ2 3.82Å; L63-W88 HydrophobicContact CD1-CD2 3.6Å; L63-W88 HydrophobicContact CD1-CE3 3.67Å; L63-W88 HydrophobicContact CD1-CG 4.06Å; L63-W88 HydrophobicContact CD1-CH2 4.32Å; L63-W88 HydrophobicContact CD1-CZ2 4.26Å; L63-W88 HydrophobicContact CD1-CZ3 4.04Å; L63-W88 HydrophobicContact CD2-CG 4.43Å; L63-W88 HydrophobicContact CG-CD2 4.33Å; L63-W88 VanDerWaalsContact N-CZ2 3.35Å; V66-W88 HydrophobicContact CB-CH2 3.97Å; V66-W88 HydrophobicContact CB-CZ3 4.41Å; V66-W88 HydrophobicContact CG1-CH2 4.15Å; V66-W88 HydrophobicContact CG1-CZ3 4.13Å; V66-W88 HydrophobicContact CG2-CH2 3.81Å; L84-W88 HydrophobicContact CD1-CE3 4.04Å; L84-W88 HydrophobicContact CD1-CZ3 3.98Å; L84-W88 HydrophobicContact CD2-CE3 4.49Å; L84-W88 HydrophobicContact CD2-CZ3 4.14Å; L84-W88 HydrophobicContact CG-CE3 3.95Å; L84-W88 HydrophobicContact CG-CZ3 4.03Å; L84-W88 PolarHBondContact O-N 3Å; L85-W88 PolarHBondContact O-N 3.29Å
89	T	86.2	Confident	78.3	Confident	67 Å²	67	51.5 Å²	51.5	41%	0.411	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-63.9	137.1	176.1	-56.4	0	0	0	0	111.4	T57 L91	T57-T89 PolarHBondContact O-N 3.32Å; T57-T89 PolarHBondContact O-OG1 3.37Å; T89-L91 PolarHBondContact O-N 3.5Å
90	S	82.8	Confident	78.1	Confident	108 Å²	108	54.7 Å²	54.7	76%	0.755	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-54.6	134.1	-177.9	-172.7	0	0	0	0	113
91	L	81.5	Confident	77.6	Confident	32 Å²	32	51 Å²	51	17%	0.168	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-80.1	135.1	-178.2	-87.4	73	0	0	0	111.5	P60 L63 P64 T89 L95 A96 L99	P60-L91 HydrophobicContact CB-CD1 4.4Å; P60-L91 HydrophobicContact CB-CG 4.28Å; L63-L91 HydrophobicContact CB-CD1 4.04Å; L63-L91 HydrophobicContact CB-CD2 4.36Å; L63-L91 HydrophobicContact CD2-CD1 3.33Å; L63-L91 HydrophobicContact CD2-CD2 4.1Å; L63-L91 HydrophobicContact CD2-CG 4.36Å; L63-L91 HydrophobicContact CG-CD1 4.31Å; P64-L91 HydrophobicContact CG-CD2 4.46Å; T89-L91 PolarHBondContact O-N 3.5Å; L91-L95 HydrophobicContact CD2-CB 4.23Å; L91-A96 HydrophobicContact CB-CB 4.4Å; L91-L99 HydrophobicContact CD2-CD1 3.9Å; L91-L99 HydrophobicContact CD2-CG 4.3Å
92	P	76.7	Confident	76.7	Confident	64 Å²	64	51.9 Å²	51.9	42%	0.416	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-56.4	142.5	163.6	-23.9	33.1	0	0	0	111.6	P94 L95 A96	P92-P94 VanDerWaalsContact C-N 3.31Å; P92-P94 VanDerWaalsContact O-N 3.14Å; P92-L95 HydrophobicContact CG-CD1 4.19Å; P92-L95 PolarHBondContact O-N 3.49Å; P92-A96 PolarHBondContact O-N 2.91Å
93	A	73.8	Confident	75.9	Confident	76 Å²	76	53.5 Å²	53.5	63%	0.628	31%	0.31	S	S	*	.	H	α-helix	trans	-49.9	-40	-178.7	0	0	0	0	0	114.8	L95 A96 I97	A93-L95 VanDerWaalsContact C-N 3.26Å; A93-L95 PolarHBondContact O-N 2.97Å; A93-A96 PolarHBondContact O-N 3.22Å; A93-I97 WeakPolarHBondContact O-CG1 3.42Å; A93-I97 PolarHBondContact O-N 2.95Å
94	P	68.9	Low	74.7	Confident	56 Å²	56	53.4 Å²	53.4	36%	0.364	31%	0.308	S	S	.	.	H	α-helix	trans	-59.1	-32.6	175.6	-27.9	38	0	0	0	114.8	P92 L383	P92-P94 VanDerWaalsContact C-N 3.31Å; P92-P94 VanDerWaalsContact O-N 3.14Å; P94-L383 HydrophobicContact CB-CB 4.37Å; P94-L383 HydrophobicContact CB-CD1 4Å
95	L	73	Confident	72.8	Confident	12 Å²	12	54.1 Å²	54.1	6%	0.063	32%	0.316	C	S	.	.	H	α-helix	trans	-87.2	-33.6	-179.6	-66.1	169.5	0	0	0	111.4	E61 L91 P92 A93 I97 E98 T382	E61-L95 HydrophobicContact CB-CD1 4.34Å; E61-L95 HydrophobicContact CG-CD1 3.82Å; L91-L95 HydrophobicContact CD2-CB 4.23Å; P92-L95 HydrophobicContact CG-CD1 4.19Å; P92-L95 PolarHBondContact O-N 3.49Å; A93-L95 VanDerWaalsContact C-N 3.26Å; A93-L95 PolarHBondContact O-N 2.97Å; L95-I97 PolarHBondContact O-N 3.44Å; L95-E98 WeakPolarHBondContact O-CB 2.89Å; L95-E98 PolarHBondContact O-N 3.38Å; L95-T382 HydrophobicContact CD2-CG2 4.39Å
96	A	76.4	Confident	70.9	Confident	37 Å²	37	60.3 Å²	60.3	31%	0.306	34%	0.34	S	S	.	.	H	α-helix	trans	-59.5	-30.5	174.8	0	0	0	0	0	112.8	L91 P92 A93 E98 L99	L91-A96 HydrophobicContact CB-CB 4.4Å; P92-A96 PolarHBondContact O-N 2.91Å; A93-A96 PolarHBondContact O-N 3.22Å; A96-E98 PolarHBondContact O-N 3Å; A96-L99 WeakPolarHBondContact O-CB 3.04Å; A96-L99 PolarHBondContact O-N 3.4Å; A96-L99 VanDerWaalsContact O-N 3.13Å
97	I	72.9	Confident	68.8	Low	41 Å²	41	56.2 Å²	56.2	21%	0.21	32%	0.323	C	S	.	.	H	α-helix	trans	-58.3	-32	173.1	-71.7	174.9	0	0	0	111.9	A93 L95 L99 L100 L383 N386 L387 L390	A93-I97 WeakPolarHBondContact O-CG1 3.42Å; A93-I97 PolarHBondContact O-N 2.95Å; L95-I97 PolarHBondContact O-N 3.44Å; I97-L99 VanDerWaalsContact C-N 3.29Å; I97-L99 PolarHBondContact O-N 3.44Å; I97-L100 WeakPolarHBondContact O-CB 3.37Å; I97-L100 PolarHBondContact O-N 3.33Å; I97-L100 VanDerWaalsContact O-N 3.17Å; I97-L383 HydrophobicContact CD1-CD1 4.25Å; I97-N386 HydrophobicContact CG2-CB 4.43Å; I97-L387 HydrophobicContact CD1-CD2 4.09Å; I97-L387 HydrophobicContact CG2-CD2 4.41Å; I97-L390 HydrophobicContact CG2-CD1 3.22Å; I97-L390 HydrophobicContact CG2-CG 4.29Å
98	E	72.4	Confident	66.8	Low	23 Å²	23	58.3 Å²	58.3	11%	0.107	33%	0.334	C	S	.	.	H	α-helix	trans	-65.8	-33	178.1	-160.8	171.3	144.8	0	0	112.2	P64 L95 A96 L100 L101 N386	P64-E98 HydrophobicContact CB-CB 4.46Å; P64-E98 HydrophobicContact CB-CG 4.14Å; P64-E98 WeakPolarHBondContact CB-OE1 3.24Å; P64-E98 HydrophobicContact CG-CB 4.31Å; P64-E98 HydrophobicContact CG-CG 4.45Å; L95-E98 WeakPolarHBondContact O-CB 2.89Å; L95-E98 PolarHBondContact O-N 3.38Å; A96-E98 PolarHBondContact O-N 3Å; E98-L100 PolarHBondContact O-N 2.91Å; E98-L101 HydrophobicContact CG-CD1 3.92Å; E98-L101 VanDerWaalsContact O-CB 3.27Å; E98-L101 WeakPolarHBondContact O-CB 3.33Å; E98-L101 PolarHBondContact O-N 3.39Å; E98-N386 PolarHBondContact OE2-ND2 2.91Å
99	L	73	Confident	64.7	Low	51 Å²	51	64.5 Å²	64.5	27%	0.267	36%	0.357	S	S	.	.	H	α-helix	trans	-67.1	-20	176.4	-59.6	-179.2	0	0	0	112.9	L63 P64 L67 L91 A96 I97 L101 L104	L63-L99 HydrophobicContact CD2-CD1 4.15Å; P64-L99 HydrophobicContact CB-CD2 4.05Å; P64-L99 HydrophobicContact CG-CD2 3.93Å; L67-L99 HydrophobicContact CD1-CD2 3.92Å; L91-L99 HydrophobicContact CD2-CD1 3.9Å; L91-L99 HydrophobicContact CD2-CG 4.3Å; A96-L99 WeakPolarHBondContact O-CB 3.04Å; A96-L99 PolarHBondContact O-N 3.4Å; A96-L99 VanDerWaalsContact O-N 3.13Å; I97-L99 VanDerWaalsContact C-N 3.29Å; I97-L99 PolarHBondContact O-N 3.44Å; L99-L101 VanDerWaalsContact C-N 3.31Å; L99-L104 HydrophobicContact CB-CD1 4.41Å; L99-L104 HydrophobicContact CD2-CD1 3.6Å
100	L	68.7	Low	62.8	Low	95 Å²	95	68.1 Å²	68.1	50%	0.497	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-5.7	175.1	-56.5	177.3	0	0	0	112.5	I97 E98 L118 L390	I97-L100 WeakPolarHBondContact O-CB 3.37Å; I97-L100 PolarHBondContact O-N 3.33Å; I97-L100 VanDerWaalsContact O-N 3.17Å; E98-L100 PolarHBondContact O-N 2.91Å; L100-L118 HydrophobicContact CD2-CD2 4.38Å; L100-L390 HydrophobicContact CB-CD2 4.28Å
101	L	65.3	Low	61.2	Low	13 Å²	13	67.6 Å²	67.6	7%	0.068	35%	0.353	C	S	.	.	S	Bend	trans	-72.9	140.9	177.1	-69	170.8	0	0	0	110.9	E98 L99 K103 L104 K389 L390	E98-L101 HydrophobicContact CG-CD1 3.92Å; E98-L101 VanDerWaalsContact O-CB 3.27Å; E98-L101 WeakPolarHBondContact O-CB 3.33Å; E98-L101 PolarHBondContact O-N 3.39Å; L99-L101 VanDerWaalsContact C-N 3.31Å; L101-K103 PolarHBondContact O-N 3.28Å; L101-L104 PolarHBondContact O-N 2.91Å; L101-L104 VanDerWaalsContact O-N 3.12Å; L101-K389 HydrophobicContact CD1-CB 4.35Å; L101-K389 HydrophobicContact CD1-CD 4.15Å; L101-K389 HydrophobicContact CD2-CB 3.65Å; L101-L390 HydrophobicContact CD2-CB 4.41Å; L101-L390 HydrophobicContact CD2-CD2 3.63Å; L101-L390 HydrophobicContact CD2-CG 3.66Å; L101-L390 HydrophobicContact CG-CD2 4.24Å; L101-L390 HydrophobicContact CG-CG 4.42Å
102	P	61.2	Low	59.6	Low	23 Å²	23	74.5 Å²	74.5	15%	0.149	38%	0.382	C	S	.	.	H	α-helix	trans	-61.7	-10.3	-178.8	-32.7	43.2	0	0	0	116.5	L104 G105 K106 F110 Y393	P102-L104 PolarHBondContact O-N 2.79Å; P102-G105 CarbonylContact O-C 3.54Å; P102-G105 WeakPolarHBondContact O-CA 3.19Å; P102-G105 PolarHBondContact O-N 3.34Å; P102-K106 PolarHBondContact O-N 2.67Å; P102-F110 HydrophobicContact CB-CE2 4Å; P102-F110 HydrophobicContact CG-CE2 3.65Å; P102-F110 HydrophobicContact CG-CZ 4.05Å; P102-Y393 HydrophobicContact CB-CE1 4.05Å; P102-Y393 HydrophobicContact CB-CE2 4.47Å; P102-Y393 WeakPolarHBondContact CB-OH 3.35Å; P102-Y393 VanDerWaalsContact CD-CZ 3.41Å; P102-Y393 WeakPolarHBondContact CD-OH 3Å; P102-Y393 HydrophobicContact CG-CD1 4.05Å; P102-Y393 HydrophobicContact CG-CD2 4.05Å; P102-Y393 HydrophobicContact CG-CE1 3.52Å; P102-Y393 HydrophobicContact CG-CE2 3.55Å; P102-Y393 HydrophobicContact CG-CG 4.29Å; P102-Y393 WeakPolarHBondContact CG-OH 3.41Å
103	K	59.8	Low	58.3	Low	148 Å²	148	74.2 Å²	74.2	64%	0.643	38%	0.381	S	S	*	.	H	α-helix	trans	-56.7	-37.1	171.2	-74.6	-162.2	169.2	-163.6	0	111.7	E40 L101	E40-K103 IonicContact OE1-NZ 2.98Å; E40-K103 PolarHBondContact OE1-NZ 2.8Å; L101-K103 PolarHBondContact O-N 3.28Å
104	L	54.2	Low	57.5	Low	11 Å²	11	79.1 Å²	79.1	6%	0.058	39%	0.391	C	S	.	.	H	α-helix	trans	-86.5	-28	170.9	-72.4	155.8	0	0	0	111.4	L67 W73 L99 L101 P102 K106 A107 L108	L67-L104 HydrophobicContact CB-CD2 3.44Å; L67-L104 VanDerWaalsContact CB-CD2 3.44Å; L67-L104 HydrophobicContact CD1-CD2 4.48Å; W73-L104 HydrophobicContact CZ2-CD2 4.42Å; L99-L104 HydrophobicContact CB-CD1 4.41Å; L99-L104 HydrophobicContact CD2-CD1 3.6Å; L101-L104 PolarHBondContact O-N 2.91Å; L101-L104 VanDerWaalsContact O-N 3.12Å; P102-L104 PolarHBondContact O-N 2.79Å; L104-K106 PolarHBondContact O-N 2.95Å; L104-A107 PolarHBondContact O-N 3.3Å; L104-L108 HydrophobicContact CB-CD1 4.29Å; L104-L108 PolarHBondContact O-N 2.75Å
105	G	44	Very low	57.1	Low	18 Å²	18	83 Å²	83	19%	0.186	40%	0.404	C	S	.	.	H	α-helix	trans	-71.2	-8.6	-175.7	0	0	0	0	0	117.7	P102 A107 W109	P102-G105 CarbonylContact O-C 3.54Å; P102-G105 WeakPolarHBondContact O-CA 3.19Å; P102-G105 PolarHBondContact O-N 3.34Å; G105-A107 PolarHBondContact O-N 3.27Å; G105-W109 WeakPolarHBondContact O-CA 3.14Å; G105-W109 PolarHBondContact O-N 3.36Å
106	K	42.6	Very low	56.9	Low	200 Å²	200	83.2 Å²	83.2	87%	0.87	41%	0.407	S	S	*	.	H	α-helix	trans	-67.6	-24.6	163.6	-84.9	-173.1	178.9	179.5	0	111.9	P102 L104	P102-K106 PolarHBondContact O-N 2.67Å; L104-K106 PolarHBondContact O-N 2.95Å
107	A	39.2	Very low	56.8	Low	30 Å²	30	85.1 Å²	85.1	25%	0.248	42%	0.423	C	S	.	.	H	α-helix	trans	-105.9	-29.9	175.8	0	0	0	0	0	113.9	W73 L104 G105 W109	W73-A107 HydrophobicContact CB-CB 3.81Å; W73-A107 HydrophobicContact CD2-CB 3.28Å; W73-A107 HydrophobicContact CE3-CB 3.84Å; W73-A107 HydrophobicContact CG-CB 3.26Å; W73-A107 HydrophobicContact CZ2-CB 4.26Å; L104-A107 PolarHBondContact O-N 3.3Å; G105-A107 PolarHBondContact O-N 3.27Å; A107-W109 VanDerWaalsContact O-CD1 3.26Å
108	L	42.1	Very low	56.6	Low	99 Å²	99	86.8 Å²	86.8	52%	0.518	43%	0.431	S	S	.	.	H	α-helix	trans	-93.6	4.2	177.3	-82.7	159.2	0	0	0	114.7	W73 L104	W73-L108 HydrophobicContact CH2-CD1 3.75Å; W73-L108 HydrophobicContact CH2-CG 3.98Å; W73-L108 HydrophobicContact CZ3-CD1 4.06Å; W73-L108 HydrophobicContact CZ3-CD2 4.16Å; W73-L108 HydrophobicContact CZ3-CG 3.79Å; L104-L108 HydrophobicContact CB-CD1 4.29Å; L104-L108 PolarHBondContact O-N 2.75Å
109	W	44.8	Very low	56.4	Low	150 Å²	150	86.8 Å²	86.8	57%	0.568	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	110	173.5	-66.1	77.6	0	0	0	114.5	G105 A107 E111 K112	G105-W109 WeakPolarHBondContact O-CA 3.14Å; G105-W109 PolarHBondContact O-N 3.36Å; A107-W109 VanDerWaalsContact O-CD1 3.26Å; W109-E111 PolarHBondContact O-N 3.23Å; W109-E111 VanDerWaalsContact O-N 3.16Å; W109-K112 HydrophobicContact CE3-CD 3.81Å; W109-K112 HydrophobicContact CE3-CG 4.4Å; W109-K112 HydrophobicContact CZ3-CD 3.78Å; W109-K112 VanDerWaalsContact CZ3-CE 3.5Å; W109-K112 VanDerWaalsContact CZ3-NZ 3.32Å
110	F	45.7	Very low	56.5	Low	144 Å²	144	90 Å²	90	63%	0.632	45%	0.449	S	S	*	.				34.7	81.7	99.8	-38.3	-107.6	0	0	0	116.6	P102 K112	P102-F110 HydrophobicContact CB-CE2 4Å; P102-F110 HydrophobicContact CG-CE2 3.65Å; P102-F110 HydrophobicContact CG-CZ 4.05Å; F110-K112 PolarHBondContact O-N 2.92Å
111	E	49.9	Very low	57	Low	97 Å²	97	90.5 Å²	90.5	45%	0.453	45%	0.449	S	S	.	.			trans	-50	87.5	-179.6	-78.1	-164.7	-158.8	0	0	111.6	W109 S113 S116	W109-E111 PolarHBondContact O-N 3.23Å; W109-E111 VanDerWaalsContact O-N 3.16Å; E111-S113 VanDerWaalsContact C-N 3.29Å; E111-S116 WeakPolarHBondContact OE1-CB 3.32Å; E111-S116 PolarHBondContact OE1-OG 2.96Å; E111-S116 WeakPolarHBondContact OE2-CB 3.09Å; E111-S116 PolarHBondContact OE2-OG 2.94Å
112	K	47.7	Very low	57.2	Low	176 Å²	176	92.9 Å²	92.9	77%	0.765	46%	0.462	S	S	*	.			trans	-84.3	-14.4	175.5	-89.5	-168.9	171.7	-175.7	0	110.5	W109 F110	W109-K112 HydrophobicContact CE3-CD 3.81Å; W109-K112 HydrophobicContact CE3-CG 4.4Å; W109-K112 HydrophobicContact CZ3-CD 3.78Å; W109-K112 VanDerWaalsContact CZ3-CE 3.5Å; W109-K112 VanDerWaalsContact CZ3-NZ 3.32Å; F110-K112 PolarHBondContact O-N 2.92Å
113	S	48.9	Very low	57.8	Low	58 Å²	58	96.8 Å²	96.8	41%	0.406	48%	0.48	S	S	.	.	S	Bend	trans	-103.9	131.3	170.7	51.9	0	0	0	0	109.5	E111 H115	E111-S113 VanDerWaalsContact C-N 3.29Å; S113-H115 PolarHBondContact O-N 2.84Å; S113-H115 PolarHBondContact OG-O 3.02Å
114	E	57.2	Low	58.8	Low	179 Å²	179	91.8 Å²	91.8	84%	0.836	46%	0.464	S	S	*	.	S	Bend	trans	-56.6	-12.3	168.8	-61.4	176.4	173	0	0	112.9
115	H	60.4	Low	59.7	Low	138 Å²	138	97.5 Å²	97.5	64%	0.639	49%	0.486	S	S	*	.			trans	-110.5	94.8	176.1	-53.4	-61.5	0	0	0	110.3	S113	S113-H115 PolarHBondContact O-N 2.84Å; S113-H115 PolarHBondContact OG-O 3.02Å
116	S	69	Low	61	Low	17 Å²	17	97.4 Å²	97.4	12%	0.119	48%	0.483	C	S	.	.			trans	-115.5	155.9	169.2	91.5	0	0	0	0	111	E111 L118 A119 E120	E111-S116 WeakPolarHBondContact OE1-CB 3.32Å; E111-S116 PolarHBondContact OE1-OG 2.96Å; E111-S116 WeakPolarHBondContact OE2-CB 3.09Å; E111-S116 PolarHBondContact OE2-OG 2.94Å; S116-L118 PolarHBondContact O-N 3.05Å; S116-L118 PolarHBondContact OG-N 2.88Å; S116-A119 PolarHBondContact O-N 3.14Å; S116-A119 WeakPolarHBondContact OG-CB 3.48Å; S116-A119 PolarHBondContact OG-N 2.97Å; S116-E120 WeakPolarHBondContact O-CB 3.1Å; S116-E120 WeakPolarHBondContact O-CG 3.23Å; S116-E120 PolarHBondContact O-N 3.21Å
117	A	73.7	Confident	62.6	Low	77 Å²	77	95.4 Å²	95.4	64%	0.636	48%	0.481	S	S	*	.	H	α-helix	trans	-59.1	-34.7	173.5	0	0	0	0	0	112	Q121	A117-Q121 WeakPolarHBondContact O-CB 3.29Å; A117-Q121 WeakPolarHBondContact O-CG 3Å; A117-Q121 PolarHBondContact O-N 2.78Å
118	L	69.6	Low	64.5	Low	75 Å²	75	100.9 Å²	100.9	39%	0.393	50%	0.502	S	S	.	.	H	α-helix	trans	-68.6	-46.4	176.9	-180	64.3	0	0	0	111.2	L100 S116 Q121 L122	L100-L118 HydrophobicContact CD2-CD2 4.38Å; S116-L118 PolarHBondContact O-N 3.05Å; S116-L118 PolarHBondContact OG-N 2.88Å; L118-Q121 PolarHBondContact O-N 3.03Å; L118-L122 HydrophobicContact CD1-CD1 4.28Å; L118-L122 HydrophobicContact CD1-CG 4.24Å; L118-L122 HydrophobicContact CG-CD1 4.01Å; L118-L122 HydrophobicContact CG-CG 4.38Å; L118-L122 WeakPolarHBondContact O-CB 3.49Å; L118-L122 VanDerWaalsContact O-CG 3.22Å; L118-L122 WeakPolarHBondContact O-CG 3.47Å; L118-L122 PolarHBondContact O-N 3.25Å
119	A	67.5	Low	66	Low	24 Å²	24	98.5 Å²	98.5	20%	0.198	49%	0.494	C	S	.	.	H	α-helix	trans	-61.2	-44.7	177.9	0	0	0	0	0	111	S116 L122 L123	S116-A119 PolarHBondContact O-N 3.14Å; S116-A119 WeakPolarHBondContact OG-CB 3.48Å; S116-A119 PolarHBondContact OG-N 2.97Å; A119-L122 PolarHBondContact O-N 2.71Å; A119-L123 WeakPolarHBondContact O-CB 3.48Å; A119-L123 VanDerWaalsContact O-CG 3.29Å; A119-L123 WeakPolarHBondContact O-CG 3.37Å; A119-L123 PolarHBondContact O-N 2.9Å
120	E	75.7	Confident	67.3	Low	118 Å²	118	102.4 Å²	102.4	55%	0.551	51%	0.508	S	S	*	.	H	α-helix	trans	-61.5	-43.8	175.1	-73.5	179.5	-175	0	0	112.2	S116 L123 S124	S116-E120 WeakPolarHBondContact O-CB 3.1Å; S116-E120 WeakPolarHBondContact O-CG 3.23Å; S116-E120 PolarHBondContact O-N 3.21Å; E120-L123 PolarHBondContact O-N 2.88Å; E120-S124 WeakPolarHBondContact O-CB 3.33Å; E120-S124 PolarHBondContact O-N 2.95Å
121	Q	77.7	Confident	68.2	Low	106 Å²	106	105.5 Å²	105.5	50%	0.495	52%	0.516	S	S	.	.	H	α-helix	trans	-65.4	-44.9	176.5	-74.5	-66.2	-24	0	0	112	A117 L118 L123 S124 Y125	A117-Q121 WeakPolarHBondContact O-CB 3.29Å; A117-Q121 WeakPolarHBondContact O-CG 3Å; A117-Q121 PolarHBondContact O-N 2.78Å; L118-Q121 PolarHBondContact O-N 3.03Å; Q121-L123 VanDerWaalsContact C-N 3.31Å; Q121-L123 PolarHBondContact O-N 3.1Å; Q121-S124 WeakPolarHBondContact O-CB 3.3Å; Q121-S124 PolarHBondContact O-N 3.08Å; Q121-Y125 WeakPolarHBondContact O-CD2 3.47Å; Q121-Y125 PolarHBondContact O-N 3.35Å
122	L	71.2	Confident	68.9	Low	63 Å²	63	104.4 Å²	104.4	33%	0.33	51%	0.51	S	S	.	.	H	α-helix	trans	-60.2	-41.8	176.4	-70.7	172.9	0	0	0	111.5	L118 A119 Y125 A126 F132 L136	L118-L122 HydrophobicContact CD1-CD1 4.28Å; L118-L122 HydrophobicContact CD1-CG 4.24Å; L118-L122 HydrophobicContact CG-CD1 4.01Å; L118-L122 HydrophobicContact CG-CG 4.38Å; L118-L122 WeakPolarHBondContact O-CB 3.49Å; L118-L122 VanDerWaalsContact O-CG 3.22Å; L118-L122 WeakPolarHBondContact O-CG 3.47Å; L118-L122 PolarHBondContact O-N 3.25Å; A119-L122 PolarHBondContact O-N 2.71Å; L122-Y125 PolarHBondContact O-N 2.76Å; L122-A126 WeakPolarHBondContact O-CB 3.38Å; L122-A126 PolarHBondContact O-N 2.94Å; L122-F132 HydrophobicContact CD2-CE1 4.35Å; L122-F132 HydrophobicContact CD2-CZ 3.78Å; L122-F132 WeakPolarHBondContact O-CE1 3.47Å; L122-L136 HydrophobicContact CB-CD2 4.5Å
123	L	73.9	Confident	69.7	Low	104 Å²	104	97.6 Å²	97.6	55%	0.545	49%	0.486	S	S	.	.	H	α-helix	trans	-65.1	-43.2	174.8	-74.6	169.7	0	0	0	111.7	A119 E120 Q121 Y125 A126 L127	A119-L123 WeakPolarHBondContact O-CB 3.48Å; A119-L123 VanDerWaalsContact O-CG 3.29Å; A119-L123 WeakPolarHBondContact O-CG 3.37Å; A119-L123 PolarHBondContact O-N 2.9Å; E120-L123 PolarHBondContact O-N 2.88Å; Q121-L123 VanDerWaalsContact C-N 3.31Å; Q121-L123 PolarHBondContact O-N 3.1Å; L123-Y125 VanDerWaalsContact C-N 3.34Å; L123-Y125 PolarHBondContact O-N 3.42Å; L123-A126 WeakPolarHBondContact O-CB 3.45Å; L123-A126 PolarHBondContact O-N 3.01Å; L123-A126 VanDerWaalsContact O-N 3.14Å; L123-L127 WeakPolarHBondContact O-CG 3.27Å; L123-L127 PolarHBondContact O-N 3.41Å
124	S	80.6	Confident	70.6	Confident	44 Å²	44	100.2 Å²	100.2	31%	0.308	49%	0.49	S	S	.	.	H	α-helix	trans	-57	-46.8	174.6	-179.8	0	0	0	0	111.6	E120 Q121 A126 L127 Q128	E120-S124 WeakPolarHBondContact O-CB 3.33Å; E120-S124 PolarHBondContact O-N 2.95Å; Q121-S124 WeakPolarHBondContact O-CB 3.3Å; Q121-S124 PolarHBondContact O-N 3.08Å; S124-A126 VanDerWaalsContact C-N 3.35Å; S124-A126 PolarHBondContact O-N 2.87Å; S124-L127 PolarHBondContact O-N 3.46Å; S124-Q128 WeakPolarHBondContact O-CG 3.48Å; S124-Q128 PolarHBondContact O-N 2.81Å; S124-Q128 VanDerWaalsContact O-N 3.14Å; S124-Q128 PolarHBondContact OG-NE2 2.58Å
125	Y	72.9	Confident	71	Confident	131 Å²	131	94.2 Å²	94.2	51%	0.514	47%	0.471	S	S	.	.	H	α-helix	trans	-64.4	-36.6	175.2	-79.9	-63.2	0	0	0	113.2	Q121 L122 L123 L127 Q128 S129	Q121-Y125 WeakPolarHBondContact O-CD2 3.47Å; Q121-Y125 PolarHBondContact O-N 3.35Å; L122-Y125 PolarHBondContact O-N 2.76Å; L123-Y125 VanDerWaalsContact C-N 3.34Å; L123-Y125 PolarHBondContact O-N 3.42Å; Y125-L127 VanDerWaalsContact C-N 3.35Å; Y125-Q128 PolarHBondContact O-N 3.18Å; Y125-S129 PolarHBondContact O-N 2.84Å
126	A	70.6	Confident	71.4	Confident	15 Å²	15	89 Å²	89	12%	0.124	45%	0.448	C	S	.	.	H	α-helix	trans	-63.5	-41.1	175	0	0	0	0	0	111.7	L122 L123 S124 Q128 S129 F132 A133 L136	L122-A126 WeakPolarHBondContact O-CB 3.38Å; L122-A126 PolarHBondContact O-N 2.94Å; L123-A126 WeakPolarHBondContact O-CB 3.45Å; L123-A126 PolarHBondContact O-N 3.01Å; L123-A126 VanDerWaalsContact O-N 3.14Å; S124-A126 VanDerWaalsContact C-N 3.35Å; S124-A126 PolarHBondContact O-N 2.87Å; A126-Q128 VanDerWaalsContact C-N 3.28Å; A126-Q128 PolarHBondContact O-N 3.03Å; A126-S129 CarbonylContact O-C 3.54Å; A126-S129 PolarHBondContact O-N 2.85Å; A126-F132 HydrophobicContact CB-CD1 4.06Å; A126-F132 HydrophobicContact CB-CE1 4.47Å; A126-A133 HydrophobicContact CB-CB 3.94Å; A126-A133 WeakPolarHBondContact O-CB 3.34Å; A126-L136 HydrophobicContact CB-CD2 3.93Å
127	L	76	Confident	71.4	Confident	159 Å²	159	93.8 Å²	93.8	83%	0.832	46%	0.464	S	S	*	.	H	α-helix	trans	-64.4	-33.2	176.1	-68.3	170.9	0	0	0	112.4	L123 S124 Y125	L123-L127 WeakPolarHBondContact O-CG 3.27Å; L123-L127 PolarHBondContact O-N 3.41Å; S124-L127 PolarHBondContact O-N 3.46Å; Y125-L127 VanDerWaalsContact C-N 3.35Å
128	Q	78.7	Confident	71	Confident	144 Å²	144	91.3 Å²	91.3	67%	0.673	44%	0.438	S	S	*	.	H	α-helix	trans	-80	-29.5	179	-66.6	172.9	29.2	0	0	113.6	S124 Y125 A126	S124-Q128 WeakPolarHBondContact O-CG 3.48Å; S124-Q128 PolarHBondContact O-N 2.81Å; S124-Q128 VanDerWaalsContact O-N 3.14Å; S124-Q128 PolarHBondContact OG-NE2 2.58Å; Y125-Q128 PolarHBondContact O-N 3.18Å; A126-Q128 VanDerWaalsContact C-N 3.28Å; A126-Q128 PolarHBondContact O-N 3.03Å
129	S	73.3	Confident	70.9	Confident	50 Å²	50	91.2 Å²	91.2	35%	0.35	44%	0.443	S	S	.	.			trans	-131.4	106.9	-173.6	176.3	0	0	0	0	111.9	Y125 A126 R131 F132 A133	Y125-S129 PolarHBondContact O-N 2.84Å; A126-S129 CarbonylContact O-C 3.54Å; A126-S129 PolarHBondContact O-N 2.85Å; S129-R131 PolarHBondContact O-N 3.34Å; S129-R131 VanDerWaalsContact O-N 3.14Å; S129-F132 WeakPolarHBondContact O-CB 3.29Å; S129-F132 PolarHBondContact O-N 2.99Å; S129-F132 PolarHBondContact OG-N 3.13Å; S129-A133 PolarHBondContact O-N 3.44Å
130	R	72.7	Confident	70.8	Confident	232 Å²	232	94 Å²	94	88%	0.875	45%	0.454	S	S	*	.	H	α-helix	trans	-53.6	-35.8	173.5	-69.2	-177.6	177	172.9	-0.8	112.6	F134	R130-F134 WeakPolarHBondContact O-CB 3.16Å; R130-F134 PolarHBondContact O-N 2.83Å
131	R	65.4	Low	70.4	Confident	208 Å²	208	89 Å²	89	79%	0.785	43%	0.431	S	S	*	.	H	α-helix	trans	-67.1	-41.5	177.5	-178.4	177.3	174.4	146.1	-0.2	111.5	S129 A135	S129-R131 PolarHBondContact O-N 3.34Å; S129-R131 VanDerWaalsContact O-N 3.14Å; R131-A135 PolarHBondContact O-N 3.42Å
132	F	63.7	Low	69.6	Low	75 Å²	75	87 Å²	87	33%	0.329	42%	0.419	S	S	.	.	H	α-helix	trans	-69.4	-45.7	176.1	-174.2	-95.4	0	0	0	111	L122 A126 S129 F134 A135 L136	L122-F132 HydrophobicContact CD2-CE1 4.35Å; L122-F132 HydrophobicContact CD2-CZ 3.78Å; L122-F132 WeakPolarHBondContact O-CE1 3.47Å; A126-F132 HydrophobicContact CB-CD1 4.06Å; A126-F132 HydrophobicContact CB-CE1 4.47Å; S129-F132 WeakPolarHBondContact O-CB 3.29Å; S129-F132 PolarHBondContact O-N 2.99Å; S129-F132 PolarHBondContact OG-N 3.13Å; F132-F134 VanDerWaalsContact C-N 3.3Å; F132-F134 PolarHBondContact O-N 2.85Å; F132-A135 PolarHBondContact O-N 3.49Å; F132-A135 VanDerWaalsContact O-N 3.12Å; F132-L136 HydrophobicContact CE1-CB 4.42Å; F132-L136 HydrophobicContact CE1-CD2 4.15Å; F132-L136 WeakPolarHBondContact O-CB 3.09Å; F132-L136 PolarHBondContact O-N 3.11Å
133	A	64.5	Low	69.1	Low	32 Å²	32	91 Å²	91	26%	0.264	43%	0.429	S	S	.	.	H	α-helix	trans	-54.8	-45	174.9	0	0	0	0	0	112.4	A126 S129 A135 L136 Y137	A126-A133 HydrophobicContact CB-CB 3.94Å; A126-A133 WeakPolarHBondContact O-CB 3.34Å; S129-A133 PolarHBondContact O-N 3.44Å; A133-A135 PolarHBondContact O-N 3.14Å; A133-L136 PolarHBondContact O-N 2.97Å; A133-Y137 VanDerWaalsContact O-CB 3.27Å; A133-Y137 WeakPolarHBondContact O-CB 3.3Å; A133-Y137 PolarHBondContact O-N 2.86Å
134	F	69	Low	68.4	Low	114 Å²	114	91.2 Å²	91.2	50%	0.5	43%	0.43	S	S	.	.	H	α-helix	trans	-61.3	-43.6	177.1	-178.4	-93.8	0	0	0	112.2	R130 F132 W138	R130-F134 WeakPolarHBondContact O-CB 3.16Å; R130-F134 PolarHBondContact O-N 2.83Å; F132-F134 VanDerWaalsContact C-N 3.3Å; F132-F134 PolarHBondContact O-N 2.85Å; F134-W138 AromaticContact CD1-CD1 3.99Å; F134-W138 AromaticContact CD2-NE1 3.98Å; F134-W138 AromaticContact CE1-CD1 3.62Å; F134-W138 AromaticContact CE1-NE1 3.65Å; F134-W138 AromaticContact CE2-CD1 3.95Å; F134-W138 AromaticContact CE2-NE1 3.3Å; F134-W138 VanDerWaalsContact CE2-NE1 3.3Å; F134-W138 AromaticContact CZ-CD1 3.62Å; F134-W138 AromaticContact CZ-NE1 3.11Å; F134-W138 VanDerWaalsContact O-CD1 3.22Å; F134-W138 PolarHBondContact O-N 2.89Å
135	A	65.8	Low	67.3	Low	52 Å²	52	92 Å²	92	43%	0.43	43%	0.426	S	S	.	.	H	α-helix	trans	-67	-43.8	177	0	0	0	0	0	112	R131 F132 A133 W138 C139	R131-A135 PolarHBondContact O-N 3.42Å; F132-A135 PolarHBondContact O-N 3.49Å; F132-A135 VanDerWaalsContact O-N 3.12Å; A133-A135 PolarHBondContact O-N 3.14Å; A135-W138 PolarHBondContact O-N 3.27Å; A135-C139 PolarHBondContact O-N 3.41Å; A135-C139 VanDerWaalsContact O-N 3.09Å; A135-C139 PolarHBondContact O-SG 2.97Å
136	L	66.9	Low	66.4	Low	30 Å²	30	90.6 Å²	90.6	16%	0.157	44%	0.435	C	S	.	.	H	α-helix	trans	-61.8	-43	177.7	-177	63.5	0	0	0	111.3	L122 A126 F132 A133 W138 C139 L140	L122-L136 HydrophobicContact CB-CD2 4.5Å; A126-L136 HydrophobicContact CB-CD2 3.93Å; F132-L136 HydrophobicContact CE1-CB 4.42Å; F132-L136 HydrophobicContact CE1-CD2 4.15Å; F132-L136 WeakPolarHBondContact O-CB 3.09Å; F132-L136 PolarHBondContact O-N 3.11Å; A133-L136 PolarHBondContact O-N 2.97Å; L136-W138 PolarHBondContact O-N 2.95Å; L136-C139 WeakPolarHBondContact O-CB 3.48Å; L136-C139 PolarHBondContact O-N 2.93Å; L136-L140 HydrophobicContact CD1-CD1 4.07Å; L136-L140 HydrophobicContact CD1-CG 4.12Å; L136-L140 HydrophobicContact CD2-CD1 4.42Å; L136-L140 HydrophobicContact CG-CD1 3.85Å; L136-L140 HydrophobicContact CG-CG 4.29Å; L136-L140 WeakPolarHBondContact O-CB 3.13Å; L136-L140 WeakPolarHBondContact O-CG 3.42Å; L136-L140 PolarHBondContact O-N 3.05Å
137	Y	69.6	Low	65.4	Low	117 Å²	117	98.4 Å²	98.4	46%	0.459	47%	0.469	S	S	.	.	H	α-helix	trans	-54.6	-53	176.3	173.6	-97.1	0	0	0	111.7	A133 C139 L140 E141	A133-Y137 VanDerWaalsContact O-CB 3.27Å; A133-Y137 WeakPolarHBondContact O-CB 3.3Å; A133-Y137 PolarHBondContact O-N 2.86Å; Y137-C139 VanDerWaalsContact C-N 3.32Å; Y137-C139 PolarHBondContact O-N 2.86Å; Y137-L140 PolarHBondContact O-N 3.13Å; Y137-E141 WeakPolarHBondContact CE1-OE2 3.33Å; Y137-E141 VanDerWaalsContact O-CB 3.25Å; Y137-E141 WeakPolarHBondContact O-CB 3.26Å; Y137-E141 PolarHBondContact O-N 3.11Å; Y137-E141 PolarHBondContact OH-OE2 3.35Å
138	W	66	Low	63.9	Low	25 Å²	25	93.1 Å²	93.1	10%	0.095	45%	0.448	C	S	.	.	H	α-helix	trans	-67	-32	179.9	-74	110.3	0	0	0	113	F134 A135 L136 E141 R142 N152 I227 L229	F134-W138 AromaticContact CD1-CD1 3.99Å; F134-W138 AromaticContact CD2-NE1 3.98Å; F134-W138 AromaticContact CE1-CD1 3.62Å; F134-W138 AromaticContact CE1-NE1 3.65Å; F134-W138 AromaticContact CE2-CD1 3.95Å; F134-W138 AromaticContact CE2-NE1 3.3Å; F134-W138 VanDerWaalsContact CE2-NE1 3.3Å; F134-W138 AromaticContact CZ-CD1 3.62Å; F134-W138 AromaticContact CZ-NE1 3.11Å; F134-W138 VanDerWaalsContact O-CD1 3.22Å; F134-W138 PolarHBondContact O-N 2.89Å; A135-W138 PolarHBondContact O-N 3.27Å; L136-W138 PolarHBondContact O-N 2.95Å; W138-E141 WeakPolarHBondContact CZ3-OE2 3.45Å; W138-R142 PolarHBondContact O-N 3.04Å; W138-N152 WeakPolarHBondContact CH2-ND2 3.48Å; W138-I227 HydrophobicContact CG-CG2 4.42Å; W138-L229 HydrophobicContact CD2-CD2 3.75Å; W138-L229 HydrophobicContact CE3-CB 4.43Å; W138-L229 HydrophobicContact CE3-CD2 3.45Å; W138-L229 VanDerWaalsContact CE3-CD2 3.45Å; W138-L229 HydrophobicContact CH2-CD2 3.81Å; W138-L229 HydrophobicContact CZ2-CD2 4.07Å; W138-L229 HydrophobicContact CZ3-CB 4.25Å; W138-L229 HydrophobicContact CZ3-CD2 3.49Å; W138-L229 VanDerWaalsContact CZ3-CD2 3.49Å; W138-L229 HydrophobicContact CZ3-CG 4.37Å
139	C	67.2	Low	62.4	Low	73 Å²	73	96.1 Å²	96.1	49%	0.493	46%	0.463	S	S	.	.	H	α-helix	trans	-65.1	-41.7	172.7	-73.3	0	0	0	0	112.4	A135 L136 Y137	A135-C139 PolarHBondContact O-N 3.41Å; A135-C139 VanDerWaalsContact O-N 3.09Å; A135-C139 PolarHBondContact O-SG 2.97Å; L136-C139 WeakPolarHBondContact O-CB 3.48Å; L136-C139 PolarHBondContact O-N 2.93Å; Y137-C139 VanDerWaalsContact C-N 3.32Å; Y137-C139 PolarHBondContact O-N 2.86Å
140	L	66.1	Low	61.1	Low	82 Å²	82	100.8 Å²	100.8	43%	0.429	48%	0.481	S	S	.	.	H	α-helix	trans	-77.4	-43.4	-179.8	-69.6	176.1	0	0	0	112.4	L136 Y137 R142 R143 I144	L136-L140 HydrophobicContact CD1-CD1 4.07Å; L136-L140 HydrophobicContact CD1-CG 4.12Å; L136-L140 HydrophobicContact CD2-CD1 4.42Å; L136-L140 HydrophobicContact CG-CD1 3.85Å; L136-L140 HydrophobicContact CG-CG 4.29Å; L136-L140 WeakPolarHBondContact O-CB 3.13Å; L136-L140 WeakPolarHBondContact O-CG 3.42Å; L136-L140 PolarHBondContact O-N 3.05Å; Y137-L140 PolarHBondContact O-N 3.13Å; L140-R142 PolarHBondContact O-N 3.37Å; L140-R143 PolarHBondContact O-N 3.03Å; L140-I144 HydrophobicContact CB-CD1 4.41Å; L140-I144 WeakPolarHBondContact O-CG1 3.49Å; L140-I144 PolarHBondContact O-N 2.93Å
141	E	65.8	Low	60	Low	13 Å²	13	96.9 Å²	96.9	6%	0.061	47%	0.472	C	S	.	.	H	α-helix	trans	-55.7	-38.8	179.9	-173.8	-179.6	-172.7	0	0	111.2	Y137 W138 R143 I144 R145 N152	Y137-E141 WeakPolarHBondContact CE1-OE2 3.33Å; Y137-E141 VanDerWaalsContact O-CB 3.25Å; Y137-E141 WeakPolarHBondContact O-CB 3.26Å; Y137-E141 PolarHBondContact O-N 3.11Å; Y137-E141 PolarHBondContact OH-OE2 3.35Å; W138-E141 WeakPolarHBondContact CZ3-OE2 3.45Å; E141-R143 VanDerWaalsContact C-N 3.32Å; E141-R143 PolarHBondContact O-N 3.08Å; E141-I144 PolarHBondContact O-N 3.14Å; E141-R145 HydrophobicContact CG-CG 4.26Å; E141-R145 VanDerWaalsContact CG-NE 3.34Å; E141-R145 WeakPolarHBondContact O-CB 3.2Å; E141-R145 WeakPolarHBondContact O-CG 3.35Å; E141-R145 PolarHBondContact O-N 2.92Å; E141-R145 IonicContact OE1-CZ 3.91Å; E141-R145 IonicContact OE1-NE 3.86Å; E141-R145 PolarHBondContact OE1-NE 3.3Å; E141-R145 IonicContact OE1-NH2 3.81Å; E141-R145 PolarHBondContact OE1-NH2 2.89Å; E141-N152 PolarHBondContact OE1-ND2 3.41Å
142	R	61.7	Low	59.9	Low	63 Å²	63	88.2 Å²	88.2	24%	0.238	44%	0.442	C	S	.	.	H	α-helix	trans	-61.2	-38.6	175.4	-163.9	-170.9	82.2	-170.5	7.1	112.9	W138 L140 R196	W138-R142 PolarHBondContact O-N 3.04Å; L140-R142 PolarHBondContact O-N 3.37Å; R142-R196 VanDerWaalsContact NH1-CG 3.26Å
143	R	60.5	Low	59.8	Low	148 Å²	148	91.8 Å²	91.8	56%	0.558	46%	0.459	S	S	*	.	H	α-helix	trans	-74.4	-47.6	178.6	-72.8	-172	175.6	-140	-2.5	110.8	L140 E141 R145 S146	L140-R143 PolarHBondContact O-N 3.03Å; E141-R143 VanDerWaalsContact C-N 3.32Å; E141-R143 PolarHBondContact O-N 3.08Å; R143-R145 VanDerWaalsContact C-N 3.34Å; R143-R145 PolarHBondContact O-N 2.86Å; R143-S146 PolarHBondContact O-N 3.01Å; R143-S146 VanDerWaalsContact O-N 3.14Å; R143-S146 PolarHBondContact O-OG 2.95Å
144	I	59.5	Low	59.8	Low	109 Å²	109	94.1 Å²	94.1	56%	0.559	47%	0.467	S	S	*	.	H	α-helix	trans	-60.4	-42.9	-179.2	-63.4	166.3	0	0	0	111.2	L140 E141 S146 E147 A148	L140-I144 HydrophobicContact CB-CD1 4.41Å; L140-I144 WeakPolarHBondContact O-CG1 3.49Å; L140-I144 PolarHBondContact O-N 2.93Å; E141-I144 PolarHBondContact O-N 3.14Å; I144-S146 VanDerWaalsContact C-N 3.29Å; I144-S146 PolarHBondContact O-N 2.89Å; I144-E147 PolarHBondContact O-N 3.17Å; I144-E147 VanDerWaalsContact O-N 3.15Å; I144-A148 PolarHBondContact O-N 3.38Å
145	R	57.3	Low	59.6	Low	61 Å²	61	88.7 Å²	88.7	23%	0.23	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-14.3	-179.7	-67.2	-173	-168.2	-79.9	-2.8	114.1	E141 R143 E147 M150	E141-R145 HydrophobicContact CG-CG 4.26Å; E141-R145 VanDerWaalsContact CG-NE 3.34Å; E141-R145 WeakPolarHBondContact O-CB 3.2Å; E141-R145 WeakPolarHBondContact O-CG 3.35Å; E141-R145 PolarHBondContact O-N 2.92Å; E141-R145 IonicContact OE1-CZ 3.91Å; E141-R145 IonicContact OE1-NE 3.86Å; E141-R145 PolarHBondContact OE1-NE 3.3Å; E141-R145 IonicContact OE1-NH2 3.81Å; E141-R145 PolarHBondContact OE1-NH2 2.89Å; R143-R145 VanDerWaalsContact C-N 3.34Å; R143-R145 PolarHBondContact O-N 2.86Å; R145-E147 PolarHBondContact O-N 3.04Å; R145-M150 PolarHBondContact NH1-O 3.11Å
146	S	54.8	Low	59.5	Low	100 Å²	100	88 Å²	88	70%	0.699	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.2	169.4	74.3	0	0	0	0	112.4	R143 I144	R143-S146 PolarHBondContact O-N 3.01Å; R143-S146 VanDerWaalsContact O-N 3.14Å; R143-S146 PolarHBondContact O-OG 2.95Å; I144-S146 VanDerWaalsContact C-N 3.29Å; I144-S146 PolarHBondContact O-N 2.89Å
147	E	48.2	Very low	59.3	Low	179 Å²	179	93.2 Å²	93.2	84%	0.836	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	-14.8	178.9	-69.3	178.2	158.8	0	0	114	I144 R145	I144-E147 PolarHBondContact O-N 3.17Å; I144-E147 VanDerWaalsContact O-N 3.15Å; R145-E147 PolarHBondContact O-N 3.04Å
148	A	45	Very low	59	Low	48 Å²	48	87.8 Å²	87.8	40%	0.397	43%	0.434	S	S	.	.	S	Bend	trans	-144.9	123.3	-178.8	0	0	0	0	0	114	I144 M150	I144-A148 PolarHBondContact O-N 3.38Å; A148-M150 VanDerWaalsContact C-N 3.29Å; A148-M150 PolarHBondContact O-N 2.8Å
149	E	47.6	Very low	58.9	Low	208 Å²	208	89.4 Å²	89.4	97%	0.972	44%	0.442	S	S	*	.			trans	-68.3	73.2	174.5	-71.5	-174.6	150.5	0	0	112.6
150	M	45.2	Very low	58.6	Low	147 Å²	147	89.2 Å²	89.2	72%	0.724	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-103.5	148.5	155.7	-82.5	-160	-103.5	0	0	109.2	R145 A148	R145-M150 PolarHBondContact NH1-O 3.11Å; A148-M150 VanDerWaalsContact C-N 3.29Å; A148-M150 PolarHBondContact O-N 2.8Å
151	Q	51	Low	58.1	Low	151 Å²	151	87.9 Å²	87.9	71%	0.706	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-100.4	130.1	175	-75.7	-174.3	-5.5	0	0	110.9	T156	Q151-T156 WeakPolarHBondContact CB-OG1 3.19Å; Q151-T156 PolarHBondContact OE1-OG1 2.89Å
152	N	62.3	Low	57.5	Low	26 Å²	26	87.5 Å²	87.5	14%	0.139	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-79.1	118.6	166.5	-170.6	-39.1	0	0	0	107.7	W138 E141 L154 V155 T156	W138-N152 WeakPolarHBondContact CH2-ND2 3.48Å; E141-N152 PolarHBondContact OE1-ND2 3.41Å; N152-L154 PolarHBondContact O-N 3.22Å; N152-L154 PolarHBondContact OD1-N 3.26Å; N152-L154 VanDerWaalsContact OD1-N 3.15Å; N152-V155 HydrophobicContact CB-CB 4.22Å; N152-V155 HydrophobicContact CB-CG2 4.02Å; N152-V155 PolarHBondContact O-N 2.81Å; N152-T156 PolarHBondContact O-N 3.04Å; N152-T156 PolarHBondContact O-OG1 3.22Å
153	Q	62	Low	57.1	Low	149 Å²	149	86.9 Å²	86.9	70%	0.696	44%	0.444	S	S	*	.	H	α-helix	trans	-52.8	-33.1	-176.9	-71.9	-174.5	-0.3	0	0	113	K157	Q153-K157 WeakPolarHBondContact O-CB 3.48Å; Q153-K157 VanDerWaalsContact O-CG 3.25Å; Q153-K157 WeakPolarHBondContact O-CG 3.13Å; Q153-K157 PolarHBondContact O-N 3.44Å
154	L	63.8	Low	56.6	Low	81 Å²	81	85 Å²	85	42%	0.424	44%	0.444	S	S	.	.	H	α-helix	trans	-65.8	-48.8	176.3	-179.9	64.2	0	0	0	111	N152 K157 L158	N152-L154 PolarHBondContact O-N 3.22Å; N152-L154 PolarHBondContact OD1-N 3.26Å; N152-L154 VanDerWaalsContact OD1-N 3.15Å; L154-K157 PolarHBondContact O-N 3.34Å; L154-L158 HydrophobicContact CD1-CD1 4.49Å; L154-L158 HydrophobicContact CG-CD1 4.11Å; L154-L158 VanDerWaalsContact O-CG 3.22Å; L154-L158 WeakPolarHBondContact O-CG 3.49Å; L154-L158 PolarHBondContact O-N 3.02Å
155	V	64.5	Low	56	Low	1 Å²	1	82.2 Å²	82.2	1%	0.006	43%	0.432	C	S	.	.	H	α-helix	trans	-65.4	-41.4	-179.7	-179.8	0	0	0	0	110.7	N152 K157 L158 E159 L229 Q230 K233	N152-V155 HydrophobicContact CB-CB 4.22Å; N152-V155 HydrophobicContact CB-CG2 4.02Å; N152-V155 PolarHBondContact O-N 2.81Å; V155-K157 VanDerWaalsContact C-N 3.34Å; V155-K157 PolarHBondContact O-N 3.36Å; V155-L158 WeakPolarHBondContact O-CB 3.21Å; V155-L158 PolarHBondContact O-N 2.86Å; V155-E159 HydrophobicContact CG1-CG 4.49Å; V155-E159 WeakPolarHBondContact CG1-OE1 3.44Å; V155-E159 WeakPolarHBondContact O-CB 3.31Å; V155-E159 WeakPolarHBondContact O-CG 3.44Å; V155-E159 PolarHBondContact O-N 3.21Å; V155-L229 HydrophobicContact CG2-CD1 4.22Å; V155-Q230 HydrophobicContact CG1-CG 4.48Å; V155-K233 HydrophobicContact CG1-CD 4.48Å
156	T	64.2	Low	55.2	Low	36 Å²	36	82.9 Å²	82.9	22%	0.221	44%	0.437	C	S	.	.	H	α-helix	trans	-59.9	-43.4	172.8	-51.7	0	0	0	0	111.7	Q151 N152 L158 E159 C160	Q151-T156 WeakPolarHBondContact CB-OG1 3.19Å; Q151-T156 PolarHBondContact OE1-OG1 2.89Å; N152-T156 PolarHBondContact O-N 3.04Å; N152-T156 PolarHBondContact O-OG1 3.22Å; T156-L158 PolarHBondContact O-N 3.07Å; T156-E159 PolarHBondContact O-N 2.6Å; T156-C160 WeakPolarHBondContact O-CB 3.31Å; T156-C160 PolarHBondContact O-N 2.67Å; T156-C160 PolarHBondContact O-SG 2.98Å
157	K	63.4	Low	54.5	Low	140 Å²	140	88.4 Å²	88.4	61%	0.609	44%	0.442	S	S	*	.	H	α-helix	trans	-62.4	-42.6	175.4	-79.1	175.7	-179.8	179.6	0	111.9	Q153 L154 V155 E159 C160 T161	Q153-K157 WeakPolarHBondContact O-CB 3.48Å; Q153-K157 VanDerWaalsContact O-CG 3.25Å; Q153-K157 WeakPolarHBondContact O-CG 3.13Å; Q153-K157 PolarHBondContact O-N 3.44Å; L154-K157 PolarHBondContact O-N 3.34Å; V155-K157 VanDerWaalsContact C-N 3.34Å; V155-K157 PolarHBondContact O-N 3.36Å; K157-E159 VanDerWaalsContact C-N 3.32Å; K157-C160 PolarHBondContact O-N 2.83Å; K157-T161 WeakPolarHBondContact O-CG2 3.37Å; K157-T161 PolarHBondContact O-N 3.19Å; K157-T161 PolarHBondContact O-OG1 3.49Å; K157-T161 VanDerWaalsContact O-OG1 3.09Å
158	L	62.7	Low	54.1	Low	4 Å²	4	87.4 Å²	87.4	2%	0.021	44%	0.437	C	S	.	.	H	α-helix	trans	-63.4	-37.1	176	-68.6	172	0	0	0	112.5	L154 V155 T156 T161 S162 F184 F189 L235	L154-L158 HydrophobicContact CD1-CD1 4.49Å; L154-L158 HydrophobicContact CG-CD1 4.11Å; L154-L158 VanDerWaalsContact O-CG 3.22Å; L154-L158 WeakPolarHBondContact O-CG 3.49Å; L154-L158 PolarHBondContact O-N 3.02Å; V155-L158 WeakPolarHBondContact O-CB 3.21Å; V155-L158 PolarHBondContact O-N 2.86Å; T156-L158 PolarHBondContact O-N 3.07Å; L158-T161 WeakPolarHBondContact CA-OG1 3.44Å; L158-T161 PolarHBondContact O-OG1 3.39Å; L158-S162 WeakPolarHBondContact O-CB 3.24Å; L158-S162 PolarHBondContact O-N 3.2Å; L158-F184 HydrophobicContact CD2-CD2 3.77Å; L158-F184 HydrophobicContact CD2-CE1 4.24Å; L158-F184 HydrophobicContact CD2-CE2 2.92Å; L158-F184 HydrophobicContact CD2-CZ 3.2Å; L158-F184 HydrophobicContact CG-CE2 4.41Å; L158-F184 HydrophobicContact CG-CZ 4.5Å; L158-F189 HydrophobicContact CB-CD1 4.16Å; L158-F189 HydrophobicContact CB-CD2 4Å; L158-F189 HydrophobicContact CB-CE1 4.01Å; L158-F189 HydrophobicContact CB-CE2 3.85Å; L158-F189 HydrophobicContact CB-CG 4.14Å; L158-F189 HydrophobicContact CB-CZ 3.85Å; L158-F189 HydrophobicContact CD1-CD2 3.76Å; L158-F189 HydrophobicContact CD1-CE2 3.9Å; L158-F189 HydrophobicContact CD1-CG 4.47Å; L158-F189 HydrophobicContact CD2-CG 4.5Å; L158-F189 HydrophobicContact CG-CD2 4.32Å; L158-F189 HydrophobicContact CG-CE2 4.46Å; L158-L235 HydrophobicContact CD1-CD2 4.5Å
159	E	63.8	Low	53.6	Low	58 Å²	58	93 Å²	93	27%	0.271	45%	0.449	S	S	.	.	H	α-helix	trans	-70.1	-44.9	175.4	-76.4	173.5	-147	0	0	112	V155 T156 K157 T161 S162 A163 F189 K233	V155-E159 HydrophobicContact CG1-CG 4.49Å; V155-E159 WeakPolarHBondContact CG1-OE1 3.44Å; V155-E159 WeakPolarHBondContact O-CB 3.31Å; V155-E159 WeakPolarHBondContact O-CG 3.44Å; V155-E159 PolarHBondContact O-N 3.21Å; T156-E159 PolarHBondContact O-N 2.6Å; K157-E159 VanDerWaalsContact C-N 3.32Å; E159-T161 VanDerWaalsContact C-N 3.33Å; E159-T161 PolarHBondContact O-N 2.94Å; E159-S162 PolarHBondContact O-N 3.36Å; E159-A163 VanDerWaalsContact O-CB 3.24Å; E159-A163 WeakPolarHBondContact O-CB 3.34Å; E159-A163 PolarHBondContact O-N 2.84Å; E159-F189 HydrophobicContact CG-CE1 4.43Å; E159-F189 HydrophobicContact CG-CZ 4.19Å; E159-K233 HydrophobicContact CG-CD 4.42Å; E159-K233 VanDerWaalsContact OE1-CD 3.24Å; E159-K233 WeakPolarHBondContact OE1-CD 3.27Å; E159-K233 VanDerWaalsContact OE1-CE 3.24Å; E159-K233 WeakPolarHBondContact OE1-CE 3.46Å; E159-K233 IonicContact OE1-NZ 3.47Å; E159-K233 PolarHBondContact OE1-NZ 2.84Å; E159-K233 IonicContact OE2-NZ 3.67Å; E159-K233 PolarHBondContact OE2-NZ 2.97Å
160	C	61.3	Low	53.1	Low	69 Å²	69	87.4 Å²	87.4	47%	0.466	43%	0.428	S	S	.	.	H	α-helix	trans	-60.1	-43.7	175.5	-72.2	0	0	0	0	111	T156 K157 A163 L164	T156-C160 WeakPolarHBondContact O-CB 3.31Å; T156-C160 PolarHBondContact O-N 2.67Å; T156-C160 PolarHBondContact O-SG 2.98Å; K157-C160 PolarHBondContact O-N 2.83Å; C160-A163 PolarHBondContact O-N 3.38Å; C160-L164 WeakPolarHBondContact O-CB 3.09Å; C160-L164 VanDerWaalsContact O-CG 3.25Å; C160-L164 WeakPolarHBondContact O-CG 3.28Å; C160-L164 PolarHBondContact O-N 3.05Å
161	T	56.2	Low	52.6	Low	55 Å²	55	90 Å²	90	34%	0.337	44%	0.436	S	S	.	.	H	α-helix	trans	-66.8	-42.3	175.7	53.2	0	0	0	0	111.8	K157 L158 E159 A163 L164 V165	K157-T161 WeakPolarHBondContact O-CG2 3.37Å; K157-T161 PolarHBondContact O-N 3.19Å; K157-T161 PolarHBondContact O-OG1 3.49Å; K157-T161 VanDerWaalsContact O-OG1 3.09Å; L158-T161 WeakPolarHBondContact CA-OG1 3.44Å; L158-T161 PolarHBondContact O-OG1 3.39Å; E159-T161 VanDerWaalsContact C-N 3.33Å; E159-T161 PolarHBondContact O-N 2.94Å; T161-A163 VanDerWaalsContact C-N 3.31Å; T161-A163 PolarHBondContact O-N 3.36Å; T161-L164 PolarHBondContact O-N 3.24Å; T161-V165 VanDerWaalsContact O-CG2 3.3Å; T161-V165 WeakPolarHBondContact O-CG2 3.49Å; T161-V165 PolarHBondContact O-N 3.3Å
162	S	53.3	Low	51.8	Low	4 Å²	4	86.7 Å²	86.7	3%	0.028	43%	0.426	C	S	.	.	H	α-helix	trans	-59.3	-41	173.3	-176.6	0	0	0	0	112	L158 E159 K166	L158-S162 WeakPolarHBondContact O-CB 3.24Å; L158-S162 PolarHBondContact O-N 3.2Å; E159-S162 PolarHBondContact O-N 3.36Å; S162-K166 WeakPolarHBondContact O-CB 3.43Å; S162-K166 VanDerWaalsContact O-CG 3.32Å; S162-K166 WeakPolarHBondContact O-CG 3.48Å; S162-K166 PolarHBondContact O-N 2.96Å
163	A	52.4	Low	50.4	Low	51 Å²	51	93.4 Å²	93.4	42%	0.421	45%	0.45	S	S	.	.	H	α-helix	trans	-71.3	-34.9	178.6	0	0	0	0	0	113.3	E159 C160 T161 K166 R167	E159-A163 VanDerWaalsContact O-CB 3.24Å; E159-A163 WeakPolarHBondContact O-CB 3.34Å; E159-A163 PolarHBondContact O-N 2.84Å; C160-A163 PolarHBondContact O-N 3.38Å; T161-A163 VanDerWaalsContact C-N 3.31Å; T161-A163 PolarHBondContact O-N 3.36Å; A163-K166 WeakPolarHBondContact O-CB 3.37Å; A163-K166 PolarHBondContact O-N 3.05Å; A163-R167 PolarHBondContact O-N 2.99Å
164	L	50.6	Low	48.9	Very low	108 Å²	108	92.1 Å²	92.1	57%	0.565	45%	0.447	S	S	*	.	H	α-helix	trans	-67.3	-45.5	173.4	-74.3	167	0	0	0	110.9	C160 T161 K166 R167 E168	C160-L164 WeakPolarHBondContact O-CB 3.09Å; C160-L164 VanDerWaalsContact O-CG 3.25Å; C160-L164 WeakPolarHBondContact O-CG 3.28Å; C160-L164 PolarHBondContact O-N 3.05Å; T161-L164 PolarHBondContact O-N 3.24Å; L164-K166 VanDerWaalsContact C-N 3.29Å; L164-K166 PolarHBondContact O-N 2.95Å; L164-R167 PolarHBondContact O-N 2.8Å; L164-E168 PolarHBondContact O-N 3.13Å
165	V	46.2	Very low	47.3	Very low	51 Å²	51	95 Å²	95	31%	0.309	46%	0.463	S	S	.	.	H	α-helix	trans	-63.2	-36.5	175.3	175.7	0	0	0	0	111.1	T161 R167 E168 W169	T161-V165 VanDerWaalsContact O-CG2 3.3Å; T161-V165 WeakPolarHBondContact O-CG2 3.49Å; T161-V165 PolarHBondContact O-N 3.3Å; V165-R167 VanDerWaalsContact C-N 3.27Å; V165-R167 PolarHBondContact O-N 2.91Å; V165-E168 PolarHBondContact O-N 2.76Å; V165-W169 PolarHBondContact O-N 3.29Å
166	K	40.6	Very low	45.9	Very low	74 Å²	74	100 Å²	100	32%	0.322	49%	0.489	S	S	.	.	H	α-helix	trans	-55.9	-38.2	170.2	-83.1	175.4	178.8	-178.4	0	112.3	S162 A163 L164 V170 F180	S162-K166 WeakPolarHBondContact O-CB 3.43Å; S162-K166 VanDerWaalsContact O-CG 3.32Å; S162-K166 WeakPolarHBondContact O-CG 3.48Å; S162-K166 PolarHBondContact O-N 2.96Å; A163-K166 WeakPolarHBondContact O-CB 3.37Å; A163-K166 PolarHBondContact O-N 3.05Å; L164-K166 VanDerWaalsContact C-N 3.29Å; L164-K166 PolarHBondContact O-N 2.95Å; K166-V170 WeakPolarHBondContact O-CG2 3.33Å; K166-F180 HydrophobicContact CB-CE1 4.14Å; K166-F180 HydrophobicContact CB-CZ 4.32Å; K166-F180 HydrophobicContact CD-CD2 4.11Å; K166-F180 HydrophobicContact CD-CE2 4.18Å; K166-F180 HydrophobicContact CD-CG 4.31Å; K166-F180 HydrophobicContact CD-CZ 4.48Å; K166-F180 HydrophobicContact CG-CD1 3.51Å; K166-F180 HydrophobicContact CG-CD2 3.77Å; K166-F180 HydrophobicContact CG-CE1 3.43Å; K166-F180 VanDerWaalsContact CG-CE1 3.43Å; K166-F180 HydrophobicContact CG-CE2 3.67Å; K166-F180 HydrophobicContact CG-CG 3.69Å; K166-F180 HydrophobicContact CG-CZ 3.52Å
167	R	40.8	Very low	44.4	Very low	217 Å²	217	101.8 Å²	101.8	82%	0.819	52%	0.515	S	S	*	.	H	α-helix	trans	-76.2	-33.8	-178.1	-77.3	-176.1	173.1	-178.6	-1.4	113.5	A163 L164 V165	A163-R167 PolarHBondContact O-N 2.99Å; L164-R167 PolarHBondContact O-N 2.8Å; V165-R167 VanDerWaalsContact C-N 3.27Å; V165-R167 PolarHBondContact O-N 2.91Å
168	E	38.8	Very low	42.7	Very low	157 Å²	157	100.4 Å²	100.4	73%	0.734	51%	0.514	S	S	*	.	H	α-helix	trans	-84	-22.5	-176	-72.9	-175.3	156.4	0	0	114.4	L164 V165	L164-E168 PolarHBondContact O-N 3.13Å; V165-E168 PolarHBondContact O-N 2.76Å
169	W	35.8	Very low	41.7	Very low	167 Å²	167	104.2 Å²	104.2	63%	0.633	53%	0.533	S	S	*	.	H	α-helix	trans	-108.7	-0.3	-174.2	-70.4	81.2	0	0	0	115.7	V165 F171 T172	V165-W169 PolarHBondContact O-N 3.29Å; W169-F171 PolarHBondContact O-N 2.87Å; W169-T172 PolarHBondContact O-N 2.89Å; W169-T172 VanDerWaalsContact O-N 3.1Å
170	V	37	Very low	40.7	Very low	89 Å²	89	104 Å²	104	54%	0.539	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-10.1	178.4	155	0	0	0	0	114.6	K166	K166-V170 WeakPolarHBondContact O-CG2 3.33Å
171	F	34.7	Very low	40	Very low	202 Å²	202	104.9 Å²	104.9	89%	0.886	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-7.5	173.3	-91.5	-84.8	0	0	0	115.4	W169	W169-F171 PolarHBondContact O-N 2.87Å
172	T	34.3	Very low	39.4	Very low	81 Å²	81	103.1 Å²	103.1	50%	0.497	52%	0.52	S	S	.	.	S	Bend	trans	-133.7	127.1	171.5	53.3	0	0	0	0	109.6	W169	W169-T172 PolarHBondContact O-N 2.89Å; W169-T172 VanDerWaalsContact O-N 3.1Å
173	W	32.1	Very low	39.1	Very low	168 Å²	168	108.7 Å²	108.7	64%	0.636	55%	0.549	S	S	*	.			trans	93.3	56.3	172.8	-54	89.7	0	0	0	119.6	N175 R451	W173-N175 PolarHBondContact O-N 3.32Å; W173-R451 HydrophobicContact CH2-CB 4.45Å
174	N	31.6	Very low	39	Very low	122 Å²	122	110.8 Å²	110.8	65%	0.652	55%	0.548	S	S	*	.			trans	-76.4	100.3	150.2	-76.1	-21	0	0	0	109.2	R451	N174-R451 PolarHBondContact O-NH1 3.35Å; N174-R451 PolarHBondContact O-NH2 3.09Å
175	N	29.2	Very low	39.2	Very low	140 Å²	140	115.6 Å²	115.6	75%	0.749	57%	0.565	S	S	*	*	S	Bend	trans	158.3	32.9	154	-80.2	-9.2	0	0	0	116.1	W173	W173-N175 PolarHBondContact O-N 3.32Å
176	L	34.2	Very low	40.1	Very low	106 Å²	106	115.3 Å²	115.3	56%	0.555	57%	0.566	S	S	*	*	S	Bend	trans	-144	143.3	164.4	-79	168.7	0	0	0	108.6	I178 Q448	L176-I178 PolarHBondContact O-N 3.42Å; L176-Q448 HydrophobicContact CD2-CG 4.48Å
177	G	33	Very low	41.4	Very low	75 Å²	75	114 Å²	114	77%	0.773	56%	0.561	S	S	*	*			trans	-47	137.5	-178.7	0	0	0	0	0	112.6	I179	G177-I179 PolarHBondContact O-N 3.27Å
178	I	29.4	Very low	42.9	Very low	111 Å²	111	105.4 Å²	105.4	57%	0.569	53%	0.531	S	S	*	.			trans	-68.5	98.4	-164.6	-68.2	175.8	0	0	0	111.1	L176 F180	L176-I178 PolarHBondContact O-N 3.42Å; I178-F180 HydrophobicContact CG2-CD2 3.48Å; I178-F180 VanDerWaalsContact CG2-CD2 3.48Å; I178-F180 HydrophobicContact CG2-CE2 3.69Å
179	I	40.8	Very low	44.5	Very low	83 Å²	83	98 Å²	98	43%	0.426	50%	0.496	S	S	.	.			trans	-111.9	105.8	161.2	-59.5	174.7	0	0	0	107.2	G177 L181 Q190	G177-I179 PolarHBondContact O-N 3.27Å; I179-L181 HydrophobicContact CG2-CD1 4.48Å; I179-Q190 HydrophobicContact CG2-CG 4.36Å
180	F	41.8	Very low	46.2	Very low	53 Å²	53	91 Å²	91	23%	0.232	47%	0.47	C	S	.	.			trans	-97.6	111	176.2	-88.3	-86.4	0	0	0	110.9	K166 I178	K166-F180 HydrophobicContact CB-CE1 4.14Å; K166-F180 HydrophobicContact CB-CZ 4.32Å; K166-F180 HydrophobicContact CD-CD2 4.11Å; K166-F180 HydrophobicContact CD-CE2 4.18Å; K166-F180 HydrophobicContact CD-CG 4.31Å; K166-F180 HydrophobicContact CD-CZ 4.48Å; K166-F180 HydrophobicContact CG-CD1 3.51Å; K166-F180 HydrophobicContact CG-CD2 3.77Å; K166-F180 HydrophobicContact CG-CE1 3.43Å; K166-F180 VanDerWaalsContact CG-CE1 3.43Å; K166-F180 HydrophobicContact CG-CE2 3.67Å; K166-F180 HydrophobicContact CG-CG 3.69Å; K166-F180 HydrophobicContact CG-CZ 3.52Å; I178-F180 HydrophobicContact CG2-CD2 3.48Å; I178-F180 VanDerWaalsContact CG2-CD2 3.48Å; I178-F180 HydrophobicContact CG2-CE2 3.69Å
181	L	47.1	Very low	47.8	Very low	88 Å²	88	87.3 Å²	87.3	46%	0.461	45%	0.449	S	S	.	.			trans	-81.1	118.7	176.7	-78.3	109.8	0	0	0	111.7	I179 L183 I188	I179-L181 HydrophobicContact CG2-CD1 4.48Å; L181-L183 HydrophobicContact CD2-CD2 4.16Å; L181-I188 HydrophobicContact CB-CG2 4.29Å; L181-I188 HydrophobicContact CD2-CB 4.22Å; L181-I188 HydrophobicContact CD2-CD1 3.66Å; L181-I188 HydrophobicContact CD2-CG1 3.69Å; L181-I188 HydrophobicContact CD2-CG2 3.61Å; L181-I188 HydrophobicContact CG-CG2 3.66Å
182	V	44.7	Very low	49.6	Very low	18 Å²	18	79.7 Å²	79.7	11%	0.109	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116.4	153	-175.3	0	0	0	0	107.5	F184 F189	V182-F184 HydrophobicContact CB-CE2 4.46Å; V182-F184 HydrophobicContact CG1-CD2 4.16Å; V182-F184 HydrophobicContact CG1-CE2 3.64Å; V182-F184 PolarHBondContact O-N 2.82Å; V182-F189 HydrophobicContact CB-CB 4.23Å; V182-F189 PolarHBondContact O-N 2.99Å; V182-F189 VanDerWaalsContact O-N 3.16Å
183	L	46.7	Very low	51.5	Low	122 Å²	122	78.9 Å²	78.9	64%	0.639	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	103.6	178.6	-70.1	172.7	0	0	0	109.8	L181 I238	L181-L183 HydrophobicContact CD2-CD2 4.16Å; L183-I238 HydrophobicContact CD2-CD1 3.3Å
184	F	49.2	Very low	53.7	Low	94 Å²	94	72.7 Å²	72.7	41%	0.412	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	146.9	153.6	-74.7	-98.8	0	0	0	106.4	L158 V182 S186 H187	L158-F184 HydrophobicContact CD2-CD2 3.77Å; L158-F184 HydrophobicContact CD2-CE1 4.24Å; L158-F184 HydrophobicContact CD2-CE2 2.92Å; L158-F184 HydrophobicContact CD2-CZ 3.2Å; L158-F184 HydrophobicContact CG-CE2 4.41Å; L158-F184 HydrophobicContact CG-CZ 4.5Å; V182-F184 HydrophobicContact CB-CE2 4.46Å; V182-F184 HydrophobicContact CG1-CD2 4.16Å; V182-F184 HydrophobicContact CG1-CE2 3.64Å; V182-F184 PolarHBondContact O-N 2.82Å; F184-S186 CarbonylContact O-C 3.53Å; F184-S186 PolarHBondContact O-N 3.46Å; F184-H187 PolarHBondContact N-O 3.33Å; F184-H187 PolarHBondContact O-N 3.01Å; F184-H187 VanDerWaalsContact O-O 3.09Å
185	F	55.1	Low	56.3	Low	209 Å²	209	67 Å²	67	92%	0.917	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.3	-3.2	-169.1	-75.6	-88.3	0	0	0	118.2	R240	F185-R240 PolarHBondContact O-NH2 2.71Å; F185-R240 VanDerWaalsContact O-NH2 3.08Å
186	S	66	Low	58.8	Low	46 Å²	46	62.7 Å²	62.7	32%	0.322	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.3	5.2	172.4	47.8	0	0	0	0	115.5	F184 I238	F184-S186 CarbonylContact O-C 3.53Å; F184-S186 PolarHBondContact O-N 3.46Å; S186-I238 PolarHBondContact O-N 2.94Å
187	H	66.9	Low	61.4	Low	47 Å²	47	58.5 Å²	58.5	22%	0.218	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	146.6	-173.4	-56.3	82.2	0	0	0	112.9	F184 L235 I236	F184-H187 PolarHBondContact N-O 3.33Å; F184-H187 PolarHBondContact O-N 3.01Å; F184-H187 VanDerWaalsContact O-O 3.09Å; H187-L235 HydrophobicContact CB-CD2 4.46Å; H187-I236 CarbonylContact C-O 3.56Å; H187-I236 VanDerWaalsContact CA-O 3.25Å; H187-I236 WeakPolarHBondContact CA-O 3.34Å
188	I	71.6	Confident	64	Low	36 Å²	36	55.7 Å²	55.7	19%	0.185	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.9	169.7	-53.3	174.9	0	0	0	107.6	L181 L235 I236 I238	L181-I188 HydrophobicContact CB-CG2 4.29Å; L181-I188 HydrophobicContact CD2-CB 4.22Å; L181-I188 HydrophobicContact CD2-CD1 3.66Å; L181-I188 HydrophobicContact CD2-CG1 3.69Å; L181-I188 HydrophobicContact CD2-CG2 3.61Å; L181-I188 HydrophobicContact CG-CG2 3.66Å; I188-L235 CarbonylContact O-C 3.58Å; I188-L235 VanDerWaalsContact O-CA 3.3Å; I188-L235 WeakPolarHBondContact O-CA 3.37Å; I188-I236 HydrophobicContact CB-CB 4.25Å; I188-I236 PolarHBondContact N-O 3.2Å; I188-I236 PolarHBondContact O-N 3.19Å; I188-I238 HydrophobicContact CD1-CG1 4Å; I188-I238 HydrophobicContact CG1-CD1 3.7Å; I188-I238 HydrophobicContact CG1-CG1 3.45Å; I188-I238 VanDerWaalsContact CG1-CG1 3.45Å
189	F	74	Confident	66.8	Low	0 Å²	0	53 Å²	53	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	124.5	162	-178.7	-109.1	0	0	0	109.5	L158 E159 V182 A191 L229 K233 L235	L158-F189 HydrophobicContact CB-CD1 4.16Å; L158-F189 HydrophobicContact CB-CD2 4Å; L158-F189 HydrophobicContact CB-CE1 4.01Å; L158-F189 HydrophobicContact CB-CE2 3.85Å; L158-F189 HydrophobicContact CB-CG 4.14Å; L158-F189 HydrophobicContact CB-CZ 3.85Å; L158-F189 HydrophobicContact CD1-CD2 3.76Å; L158-F189 HydrophobicContact CD1-CE2 3.9Å; L158-F189 HydrophobicContact CD1-CG 4.47Å; L158-F189 HydrophobicContact CD2-CG 4.5Å; L158-F189 HydrophobicContact CG-CD2 4.32Å; L158-F189 HydrophobicContact CG-CE2 4.46Å; E159-F189 HydrophobicContact CG-CE1 4.43Å; E159-F189 HydrophobicContact CG-CZ 4.19Å; V182-F189 HydrophobicContact CB-CB 4.23Å; V182-F189 PolarHBondContact O-N 2.99Å; V182-F189 VanDerWaalsContact O-N 3.16Å; F189-A191 HydrophobicContact CD1-CB 4.46Å; F189-A191 HydrophobicContact CE1-CB 3.78Å; F189-A191 HydrophobicContact CZ-CB 4.24Å; F189-L229 HydrophobicContact CE2-CD1 4.37Å; F189-K233 HydrophobicContact CZ-CB 4.48Å; F189-L235 HydrophobicContact CB-CD2 4.04Å; F189-L235 HydrophobicContact CD2-CD2 3.98Å
190	Q	71.8	Confident	69.2	Low	21 Å²	21	49.3 Å²	49.3	10%	0.098	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	122	177.1	-175.5	161.3	-5.7	0	0	109.4	I179 D193 L195 K233 G234 I236	I179-Q190 HydrophobicContact CG2-CG 4.36Å; Q190-D193 HydrophobicContact CG-CB 4.44Å; Q190-D193 PolarHBondContact NE2-OD2 2.77Å; Q190-L195 HydrophobicContact CB-CD1 4.33Å; Q190-L195 HydrophobicContact CG-CD2 4.32Å; Q190-K233 WeakPolarHBondContact O-CA 3.4Å; Q190-G234 PolarHBondContact N-O 3.46Å; Q190-G234 PolarHBondContact O-N 3.2Å; Q190-I236 HydrophobicContact CB-CD1 4.47Å
191	A	70.5	Confident	71.6	Confident	12 Å²	12	46.9 Å²	46.9	10%	0.099	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.9	177.5	0	0	0	0	0	109.5	F189 K233	F189-A191 HydrophobicContact CD1-CB 4.46Å; F189-A191 HydrophobicContact CE1-CB 3.78Å; F189-A191 HydrophobicContact CZ-CB 4.24Å; A191-K233 HydrophobicContact CB-CG 4.19Å
192	G	70.8	Confident	73.7	Confident	42 Å²	42	42.8 Å²	42.8	43%	0.433	22%	0.221	S	C	.	.	S	Bend	trans	128.4	-32.3	-176.7	0	0	0	0	0	113	R232	G192-R232 PolarHBondContact N-O 2.94Å
193	D	74.1	Confident	75.9	Confident	63 Å²	63	45.3 Å²	45.3	34%	0.337	23%	0.231	S	C	.	.	S	Bend	trans	-111.1	143.6	-173.1	-59.1	-43.4	0	0	0	112.7	Q190 L195 R232	Q190-D193 HydrophobicContact CG-CB 4.44Å; Q190-D193 PolarHBondContact NE2-OD2 2.77Å; D193-L195 HydrophobicContact CB-CD2 4.48Å; D193-L195 PolarHBondContact O-N 2.77Å; D193-R232 CarbonylContact O-C 3.52Å; D193-R232 WeakPolarHBondContact O-CA 3.3Å
194	D	80.1	Confident	78.2	Confident	38 Å²	38	39.9 Å²	39.9	20%	0.203	20%	0.203	C	C	.	.			trans	-82.8	94.9	177.1	-168.6	-12.3	0	0	0	111.6	R196 R232 P397	D194-R196 VanDerWaalsContact CG-NE 3.33Å; D194-R196 PolarHBondContact O-N 2.77Å; D194-R196 VanDerWaalsContact O-N 3.09Å; D194-R196 VanDerWaalsContact OD1-CB 3.23Å; D194-R196 WeakPolarHBondContact OD1-CB 3.35Å; D194-R196 WeakPolarHBondContact OD1-CG 3.24Å; D194-R196 PolarHBondContact OD1-N 2.83Å; D194-R196 VanDerWaalsContact OD1-N 3.11Å; D194-R196 IonicContact OD1-NE 2.79Å; D194-R196 PolarHBondContact OD1-NE 2.67Å; D194-R196 IonicContact OD2-CZ 3.46Å; D194-R196 IonicContact OD2-NE 2.67Å; D194-R196 PolarHBondContact OD2-NE 2.78Å; D194-R196 IonicContact OD2-NH2 3.9Å; D194-R196 PolarHBondContact OD2-NH2 3.42Å; D194-R232 HydrophobicContact CB-CG 4.48Å; D194-P397 HydrophobicContact CB-CG 4.35Å; D194-P397 VanDerWaalsContact OD2-CG 3.24Å; D194-P397 WeakPolarHBondContact OD2-CG 3.2Å
195	L	84.4	Confident	80.4	Confident	4 Å²	4	35.4 Å²	35.4	2%	0.021	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	2.6	-178	-55.4	-175.8	0	0	0	114.6	Q190 D193 Q197 F199 I226 P228 I236	Q190-L195 HydrophobicContact CB-CD1 4.33Å; Q190-L195 HydrophobicContact CG-CD2 4.32Å; D193-L195 HydrophobicContact CB-CD2 4.48Å; D193-L195 PolarHBondContact O-N 2.77Å; L195-Q197 VanDerWaalsContact C-N 3.28Å; L195-Q197 PolarHBondContact O-N 3.47Å; L195-F199 WeakPolarHBondContact O-CB 3.35Å; L195-F199 PolarHBondContact O-N 3.14Å; L195-I226 HydrophobicContact CB-CG2 3.83Å; L195-I226 HydrophobicContact CD1-CG2 4.04Å; L195-P228 HydrophobicContact CB-CG 4.42Å; L195-I236 HydrophobicContact CD1-CD1 4.27Å; L195-I236 HydrophobicContact CD1-CG1 4Å; L195-I236 HydrophobicContact CD2-CD1 4.11Å
196	R	83.6	Confident	82.3	Confident	49 Å²	49	27.7 Å²	27.7	19%	0.185	15%	0.148	C	C	.	.	H	α-helix	trans	-62.9	-36.7	179.5	-69.9	-177.3	-64	162.6	-4.2	112.3	R142 D194 L200 P228 A394 D395 V396	R142-R196 VanDerWaalsContact NH1-CG 3.26Å; D194-R196 VanDerWaalsContact CG-NE 3.33Å; D194-R196 PolarHBondContact O-N 2.77Å; D194-R196 VanDerWaalsContact O-N 3.09Å; D194-R196 VanDerWaalsContact OD1-CB 3.23Å; D194-R196 WeakPolarHBondContact OD1-CB 3.35Å; D194-R196 WeakPolarHBondContact OD1-CG 3.24Å; D194-R196 PolarHBondContact OD1-N 2.83Å; D194-R196 VanDerWaalsContact OD1-N 3.11Å; D194-R196 IonicContact OD1-NE 2.79Å; D194-R196 PolarHBondContact OD1-NE 2.67Å; D194-R196 IonicContact OD2-CZ 3.46Å; D194-R196 IonicContact OD2-NE 2.67Å; D194-R196 PolarHBondContact OD2-NE 2.78Å; D194-R196 IonicContact OD2-NH2 3.9Å; D194-R196 PolarHBondContact OD2-NH2 3.42Å; R196-L200 WeakPolarHBondContact O-CB 3.14Å; R196-L200 PolarHBondContact O-N 3.05Å; R196-P228 HydrophobicContact CG-CB 4.34Å; R196-A394 PolarHBondContact NH1-O 3Å; R196-D395 VanDerWaalsContact CZ-O 3.27Å; R196-D395 PolarHBondContact NH1-O 3.31Å; R196-D395 PolarHBondContact NH2-O 3.36Å; R196-V396 HydrophobicContact CB-CG1 4.17Å
197	Q	86.8	Confident	83.6	Confident	18 Å²	18	27 Å²	27	8%	0.084	14%	0.141	C	C	.	.	H	α-helix	trans	-65.8	-54.2	177.7	170.4	170.6	-7.4	0	0	111.2	L195 F199 L200 V201 F322 G323 Y325 V396	L195-Q197 VanDerWaalsContact C-N 3.28Å; L195-Q197 PolarHBondContact O-N 3.47Å; Q197-F199 VanDerWaalsContact C-N 3.26Å; Q197-F199 PolarHBondContact O-N 2.82Å; Q197-L200 WeakPolarHBondContact O-CB 3.37Å; Q197-L200 PolarHBondContact O-N 3.38Å; Q197-L200 VanDerWaalsContact O-N 3.09Å; Q197-V201 PolarHBondContact O-N 3.42Å; Q197-F322 PolarHBondContact NE2-O 3.46Å; Q197-G323 PolarHBondContact NE2-O 2.91Å; Q197-Y325 HydrophobicContact CB-CE1 4.34Å; Q197-Y325 VanDerWaalsContact CD-CD1 3.45Å; Q197-Y325 HydrophobicContact CG-CD1 3.66Å; Q197-Y325 HydrophobicContact CG-CE1 3.38Å; Q197-Y325 HydrophobicContact CG-CE2 4.5Å; Q197-Y325 HydrophobicContact CG-CG 4.32Å; Q197-V396 HydrophobicContact CB-CG1 4.41Å
198	D	88.9	Confident	85.1	Confident	15 Å²	15	24.8 Å²	24.8	8%	0.08	13%	0.13	C	C	.	.	H	α-helix	trans	-58.4	-40.3	175.8	-61.2	-109.8	0	0	0	112.2	V201 L202 I226 F322	D198-V201 PolarHBondContact O-N 3.36Å; D198-L202 WeakPolarHBondContact O-CB 3.32Å; D198-L202 WeakPolarHBondContact O-CG 3.46Å; D198-L202 PolarHBondContact O-N 3.16Å; D198-I226 HydrophobicContact CB-CD1 3.39Å; D198-F322 HydrophobicContact CB-CD2 4.19Å; D198-F322 PolarHBondContact OD1-N 3.19Å
199	F	88.4	Confident	86.3	Confident	55 Å²	55	24.4 Å²	24.4	24%	0.241	13%	0.129	C	C	.	.	H	α-helix	trans	-59	-48.9	174.3	179.6	-101.2	0	0	0	111.4	L195 Q197 L202 Q203 I226 P228	L195-F199 WeakPolarHBondContact O-CB 3.35Å; L195-F199 PolarHBondContact O-N 3.14Å; Q197-F199 VanDerWaalsContact C-N 3.26Å; Q197-F199 PolarHBondContact O-N 2.82Å; F199-L202 PolarHBondContact O-N 3.19Å; F199-Q203 HydrophobicContact CD1-CG 4.18Å; F199-Q203 HydrophobicContact CE1-CG 3.86Å; F199-Q203 HydrophobicContact CE2-CG 4.31Å; F199-Q203 HydrophobicContact CZ-CG 3.95Å; F199-Q203 VanDerWaalsContact O-CG 3.31Å; F199-Q203 WeakPolarHBondContact O-CG 3.21Å; F199-Q203 PolarHBondContact O-N 3.49Å; F199-I226 HydrophobicContact CB-CG2 4.29Å; F199-I226 HydrophobicContact CD2-CB 4.42Å; F199-I226 WeakPolarHBondContact CD2-O 3.48Å; F199-I226 WeakPolarHBondContact CE2-O 3.41Å; F199-P228 HydrophobicContact CB-CG 3.7Å; F199-P228 HydrophobicContact CD1-CG 4.46Å; F199-P228 HydrophobicContact CD2-CG 4.21Å; F199-P228 HydrophobicContact CG-CG 3.89Å
200	L	90	Very high	87.3	Confident	5 Å²	5	31.8 Å²	31.8	3%	0.026	16%	0.156	C	C	.	.	H	α-helix	trans	-59.4	-48.2	178.2	176.5	58.7	0	0	0	111.6	R196 Q197 L202 Q203 M204 Y325 M388 M391 V396 L399	R196-L200 WeakPolarHBondContact O-CB 3.14Å; R196-L200 PolarHBondContact O-N 3.05Å; Q197-L200 WeakPolarHBondContact O-CB 3.37Å; Q197-L200 PolarHBondContact O-N 3.38Å; Q197-L200 VanDerWaalsContact O-N 3.09Å; L200-L202 PolarHBondContact O-N 3.49Å; L200-Q203 PolarHBondContact O-N 3.35Å; L200-M204 HydrophobicContact CD1-CE 3.74Å; L200-M204 HydrophobicContact CD1-CG 4.41Å; L200-M204 WeakPolarHBondContact O-CG 3.48Å; L200-M204 PolarHBondContact O-N 2.68Å; L200-Y325 HydrophobicContact CD2-CE2 4.14Å; L200-M388 HydrophobicContact CD1-SD 4.23Å; L200-M388 HydrophobicContact CD2-CE 4.42Å; L200-M388 HydrophobicContact CD2-SD 4.25Å; L200-M388 HydrophobicContact CG-SD 4.42Å; L200-M391 HydrophobicContact CD1-CB 4.21Å; L200-M391 HydrophobicContact CD1-CE 4.2Å; L200-M391 HydrophobicContact CD1-CG 3.71Å; L200-M391 HydrophobicContact CD1-SD 4.48Å; L200-M391 HydrophobicContact CD2-CB 4.35Å; L200-V396 HydrophobicContact CD2-CG1 4.15Å; L200-L399 HydrophobicContact CD2-CD1 4.36Å; L200-L399 HydrophobicContact CD2-CD2 3.96Å
201	V	91.9	Very high	88.4	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.012	16%	0.157	C	C	.	.	H	α-helix	trans	-58	-48.2	178.2	172.6	0	0	0	0	110.7	Q197 D198 Q203 M204 I205 L299 V301 F322 Y325	Q197-V201 PolarHBondContact O-N 3.42Å; D198-V201 PolarHBondContact O-N 3.36Å; V201-Q203 VanDerWaalsContact C-N 3.33Å; V201-Q203 PolarHBondContact O-N 2.93Å; V201-M204 PolarHBondContact O-N 3.07Å; V201-M204 VanDerWaalsContact O-N 3.17Å; V201-I205 HydrophobicContact CG1-CG1 4.39Å; V201-I205 WeakPolarHBondContact O-CG1 3.46Å; V201-I205 PolarHBondContact O-N 2.71Å; V201-L299 HydrophobicContact CG1-CD1 3.97Å; V201-V301 HydrophobicContact CG1-CG2 4.38Å; V201-F322 HydrophobicContact CB-CB 4.13Å; V201-F322 HydrophobicContact CB-CD1 4.44Å; V201-F322 HydrophobicContact CB-CD2 4.24Å; V201-F322 HydrophobicContact CB-CG 4.01Å; V201-F322 HydrophobicContact CG1-CB 4.18Å; V201-F322 HydrophobicContact CG1-CD1 3.6Å; V201-F322 HydrophobicContact CG1-CD2 4.01Å; V201-F322 HydrophobicContact CG1-CE1 3.94Å; V201-F322 HydrophobicContact CG1-CE2 4.31Å; V201-F322 HydrophobicContact CG1-CG 3.64Å; V201-F322 HydrophobicContact CG1-CZ 4.28Å; V201-F322 HydrophobicContact CG2-CB 4.05Å; V201-F322 HydrophobicContact CG2-CG 4.41Å; V201-Y325 HydrophobicContact CG2-CD2 3.45Å; V201-Y325 VanDerWaalsContact CG2-CD2 3.45Å; V201-Y325 HydrophobicContact CG2-CE2 3.99Å; V201-Y325 HydrophobicContact CG2-CG 4.04Å
202	L	93	Very high	89.6	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-66.9	-30.3	178.6	-71.7	171.1	0	0	0	113.4	D198 F199 L200 R206 V223 Y224 I226 W292 F322	D198-L202 WeakPolarHBondContact O-CB 3.32Å; D198-L202 WeakPolarHBondContact O-CG 3.46Å; D198-L202 PolarHBondContact O-N 3.16Å; F199-L202 PolarHBondContact O-N 3.19Å; L200-L202 PolarHBondContact O-N 3.49Å; L202-R206 VanDerWaalsContact O-CB 3.25Å; L202-R206 WeakPolarHBondContact O-CB 3.38Å; L202-R206 PolarHBondContact O-N 2.79Å; L202-V223 HydrophobicContact CB-CG1 4.28Å; L202-V223 HydrophobicContact CD2-CG1 3.92Å; L202-V223 WeakPolarHBondContact O-CG1 3.42Å; L202-Y224 HydrophobicContact CD1-CD2 3.97Å; L202-Y224 HydrophobicContact CD1-CE1 4.15Å; L202-Y224 HydrophobicContact CD1-CE2 3.58Å; L202-Y224 HydrophobicContact CD1-CG 4.42Å; L202-Y224 HydrophobicContact CD2-CD1 4.26Å; L202-Y224 HydrophobicContact CD2-CE1 3.9Å; L202-I226 HydrophobicContact CD1-CB 4.36Å; L202-I226 HydrophobicContact CD1-CD1 3.4Å; L202-I226 HydrophobicContact CD1-CG1 3.54Å; L202-W292 HydrophobicContact CD2-CH2 4.26Å; L202-F322 HydrophobicContact CD1-CE2 4.36Å; L202-F322 HydrophobicContact CD2-CE2 3.72Å; L202-F322 HydrophobicContact CD2-CZ 4.19Å; L202-F322 HydrophobicContact CG-CD2 4.37Å; L202-F322 HydrophobicContact CG-CE2 3.82Å
203	Q	90.9	Very high	90.8	Very high	70 Å²	70	33.3 Å²	33.3	33%	0.327	15%	0.153	S	C	.	.	H	α-helix	trans	-67.1	-40.9	171.8	-68.5	-56.1	-17	0	0	111.5	F199 L200 V201 R206 L207	F199-Q203 HydrophobicContact CD1-CG 4.18Å; F199-Q203 HydrophobicContact CE1-CG 3.86Å; F199-Q203 HydrophobicContact CE2-CG 4.31Å; F199-Q203 HydrophobicContact CZ-CG 3.95Å; F199-Q203 VanDerWaalsContact O-CG 3.31Å; F199-Q203 WeakPolarHBondContact O-CG 3.21Å; F199-Q203 PolarHBondContact O-N 3.49Å; L200-Q203 PolarHBondContact O-N 3.35Å; V201-Q203 VanDerWaalsContact C-N 3.33Å; V201-Q203 PolarHBondContact O-N 2.93Å; Q203-R206 VanDerWaalsContact CD-NH1 3.26Å; Q203-R206 PolarHBondContact O-N 3.33Å; Q203-L207 PolarHBondContact O-N 3.5Å
204	M	93.6	Very high	91.7	Very high	8 Å²	8	36.3 Å²	36.3	4%	0.039	17%	0.174	C	C	.	.	H	α-helix	trans	-64.4	-45.4	175.1	-65.7	-60.1	169.8	0	0	111.3	L200 V201 R206 L207 M208 L299 F384 L387 M388	L200-M204 HydrophobicContact CD1-CE 3.74Å; L200-M204 HydrophobicContact CD1-CG 4.41Å; L200-M204 WeakPolarHBondContact O-CG 3.48Å; L200-M204 PolarHBondContact O-N 2.68Å; V201-M204 PolarHBondContact O-N 3.07Å; V201-M204 VanDerWaalsContact O-N 3.17Å; M204-R206 VanDerWaalsContact C-N 3.32Å; M204-R206 PolarHBondContact O-N 3.04Å; M204-L207 WeakPolarHBondContact O-CB 3.36Å; M204-L207 PolarHBondContact O-N 3.5Å; M204-L207 VanDerWaalsContact O-N 3.14Å; M204-M208 WeakPolarHBondContact O-CG 3.46Å; M204-M208 PolarHBondContact O-N 2.88Å; M204-L299 HydrophobicContact CB-CD1 3.91Å; M204-L299 HydrophobicContact CB-CD2 3.94Å; M204-L299 HydrophobicContact CG-CD2 4.23Å; M204-F384 HydrophobicContact SD-CD1 3.81Å; M204-F384 HydrophobicContact SD-CE1 4.3Å; M204-L387 HydrophobicContact CE-CB 3.67Å; M204-M388 HydrophobicContact CE-CG 3.82Å; M204-M388 HydrophobicContact CE-SD 3.29Å; M204-M388 WeakPolarHBondContact CE-SD 3.5Å; M204-M388 HydrophobicContact CG-SD 4.17Å; M204-M388 HydrophobicContact SD-SD 4.22Å
205	I	95.6	Very high	92.3	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-39.7	174.8	-63.5	-64.3	0	0	0	111.4	V201 L207 M208 D209 M221 V223 W292 L299	V201-I205 HydrophobicContact CG1-CG1 4.39Å; V201-I205 WeakPolarHBondContact O-CG1 3.46Å; V201-I205 PolarHBondContact O-N 2.71Å; I205-L207 VanDerWaalsContact C-N 3.3Å; I205-L207 PolarHBondContact O-N 2.68Å; I205-M208 HydrophobicContact CD1-SD 3.94Å; I205-M208 WeakPolarHBondContact O-CB 3.32Å; I205-M208 PolarHBondContact O-N 2.81Å; I205-D209 WeakPolarHBondContact O-CB 3.49Å; I205-D209 PolarHBondContact O-N 3.43Å; I205-M221 HydrophobicContact CG2-CE 3.77Å; I205-V223 HydrophobicContact CG2-CG1 4.35Å; I205-V223 HydrophobicContact CG2-CG2 3.81Å; I205-W292 HydrophobicContact CD1-CZ3 4.27Å; I205-W292 HydrophobicContact CG1-CH2 4.41Å; I205-W292 HydrophobicContact CG1-CZ3 4.1Å; I205-W292 HydrophobicContact CG2-CH2 4.18Å; I205-W292 HydrophobicContact CG2-CZ2 4.42Å; I205-W292 HydrophobicContact CG2-CZ3 4.44Å; I205-L299 HydrophobicContact CD1-CD1 3.76Å; I205-L299 HydrophobicContact CG1-CD1 3.98Å
206	R	95	Very high	92.6	Very high	47 Å²	47	41 Å²	41	18%	0.177	22%	0.216	C	C	.	.	H	α-helix	trans	-63	-37.1	175.3	-172.8	173.2	-68.9	123.2	5.1	112.2	L202 Q203 M204 R210 V223 Y224	L202-R206 VanDerWaalsContact O-CB 3.25Å; L202-R206 WeakPolarHBondContact O-CB 3.38Å; L202-R206 PolarHBondContact O-N 2.79Å; Q203-R206 VanDerWaalsContact CD-NH1 3.26Å; Q203-R206 PolarHBondContact O-N 3.33Å; M204-R206 VanDerWaalsContact C-N 3.32Å; M204-R206 PolarHBondContact O-N 3.04Å; R206-R210 WeakPolarHBondContact O-CG 3.42Å; R206-R210 PolarHBondContact O-N 3.32Å; R206-R210 VanDerWaalsContact O-N 3.15Å; R206-V223 HydrophobicContact CB-CG1 4.07Å; R206-V223 PolarHBondContact NH2-O 3.42Å; R206-Y224 PolarHBondContact NH2-O 3.08Å
207	L	94.5	Very high	93.1	Very high	32 Å²	32	39.2 Å²	39.2	17%	0.168	21%	0.209	C	C	.	.	H	α-helix	trans	-68.4	-44	174.6	179.1	59.8	0	0	0	111.1	Q203 M204 I205 D209 R210 L211 L383 F384 L387	Q203-L207 PolarHBondContact O-N 3.5Å; M204-L207 WeakPolarHBondContact O-CB 3.36Å; M204-L207 PolarHBondContact O-N 3.5Å; M204-L207 VanDerWaalsContact O-N 3.14Å; I205-L207 VanDerWaalsContact C-N 3.3Å; I205-L207 PolarHBondContact O-N 2.68Å; L207-D209 VanDerWaalsContact C-N 3.34Å; L207-D209 PolarHBondContact O-N 2.99Å; L207-R210 PolarHBondContact O-N 2.9Å; L207-L211 HydrophobicContact CD1-CD1 4.5Å; L207-L211 HydrophobicContact CD1-CG 4.38Å; L207-L211 HydrophobicContact CG-CD1 4.3Å; L207-L211 WeakPolarHBondContact O-CG 3.23Å; L207-L211 PolarHBondContact O-N 3.45Å; L207-L383 HydrophobicContact CD1-CD2 4.14Å; L207-L383 HydrophobicContact CD2-CD2 3.88Å; L207-L383 HydrophobicContact CD2-CG 4.04Å; L207-L383 HydrophobicContact CG-CD2 4.46Å; L207-F384 HydrophobicContact CB-CE1 4.13Å; L207-F384 HydrophobicContact CB-CZ 4.34Å; L207-F384 HydrophobicContact CD2-CD1 4.14Å; L207-F384 HydrophobicContact CD2-CE1 3.75Å; L207-F384 HydrophobicContact CD2-CZ 3.98Å; L207-F384 HydrophobicContact CG-CE1 3.96Å; L207-F384 HydrophobicContact CG-CZ 3.87Å; L207-L387 HydrophobicContact CD2-CD1 3.4Å; L207-L387 VanDerWaalsContact CD2-CD1 3.4Å
208	M	96.8	Very high	93.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-55.9	-48.4	174.2	-67.1	177.4	-179.8	0	0	111.5	M204 I205 R210 L211 W212 V298 L299 I377 F384	M204-M208 WeakPolarHBondContact O-CG 3.46Å; M204-M208 PolarHBondContact O-N 2.88Å; I205-M208 HydrophobicContact CD1-SD 3.94Å; I205-M208 WeakPolarHBondContact O-CB 3.32Å; I205-M208 PolarHBondContact O-N 2.81Å; M208-R210 VanDerWaalsContact C-N 3.35Å; M208-R210 PolarHBondContact O-N 3.48Å; M208-L211 PolarHBondContact O-N 3.26Å; M208-L211 VanDerWaalsContact O-N 3.15Å; M208-W212 HydrophobicContact CB-CD2 4.36Å; M208-W212 HydrophobicContact CB-CE3 4.26Å; M208-W212 HydrophobicContact CB-CH2 3.69Å; M208-W212 HydrophobicContact CB-CZ2 3.8Å; M208-W212 HydrophobicContact CB-CZ3 3.93Å; M208-W212 HydrophobicContact CG-CH2 4.49Å; M208-W212 HydrophobicContact CG-CZ2 4.42Å; M208-W212 VanDerWaalsContact O-CD2 3.23Å; M208-W212 VanDerWaalsContact O-CG 3.25Å; M208-W212 PolarHBondContact O-N 3.41Å; M208-W212 HydrophobicContact SD-CH2 4.26Å; M208-W212 HydrophobicContact SD-CZ2 4.37Å; M208-V298 HydrophobicContact CE-CB 4.03Å; M208-V298 HydrophobicContact CE-CG1 3.67Å; M208-L299 HydrophobicContact CE-CD1 4.31Å; M208-L299 HydrophobicContact CE-CD2 4.15Å; M208-L299 HydrophobicContact CE-CG 3.98Å; M208-I377 HydrophobicContact CB-CD1 3.75Å; M208-I377 HydrophobicContact CE-CG2 4.36Å; M208-I377 HydrophobicContact CG-CD1 3.62Å; M208-I377 HydrophobicContact CG-CG1 4.13Å; M208-F384 HydrophobicContact CB-CZ 4.33Å; M208-F384 HydrophobicContact CE-CD1 4.41Å; M208-F384 HydrophobicContact CE-CE1 3.97Å; M208-F384 HydrophobicContact CE-CZ 4.36Å; M208-F384 HydrophobicContact CG-CE1 3.63Å; M208-F384 HydrophobicContact CG-CE2 4.48Å; M208-F384 HydrophobicContact CG-CZ 3.43Å; M208-F384 VanDerWaalsContact CG-CZ 3.43Å
209	D	97	Very high	93.8	Very high	28 Å²	28	41 Å²	41	15%	0.15	22%	0.22	C	C	.	.	H	α-helix	trans	-57.6	-44.7	177.6	-174.8	54.1	0	0	0	112.4	I205 L207 L211 W212 L213 M221	I205-D209 WeakPolarHBondContact O-CB 3.49Å; I205-D209 PolarHBondContact O-N 3.43Å; L207-D209 VanDerWaalsContact C-N 3.34Å; L207-D209 PolarHBondContact O-N 2.99Å; D209-L211 PolarHBondContact O-N 3.05Å; D209-W212 HydrophobicContact CB-CE3 4.49Å; D209-W212 PolarHBondContact O-N 3.03Å; D209-L213 WeakPolarHBondContact O-CB 3.5Å; D209-L213 VanDerWaalsContact O-CG 3.26Å; D209-L213 WeakPolarHBondContact O-CG 3.5Å; D209-L213 PolarHBondContact O-N 3.11Å; D209-M221 HydrophobicContact CB-CB 4.33Å; D209-M221 HydrophobicContact CB-CG 4.32Å; D209-M221 WeakPolarHBondContact OD1-CB 3.42Å; D209-M221 WeakPolarHBondContact OD1-CG 3.45Å
210	R	95.2	Very high	94.2	Very high	154 Å²	154	42 Å²	42	58%	0.581	22%	0.222	S	C	*	.	H	α-helix	trans	-60.9	-44.9	174.7	-73	177.4	-174.2	174.8	2.1	112.5	R206 L207 M208 L213 T214	R206-R210 WeakPolarHBondContact O-CG 3.42Å; R206-R210 PolarHBondContact O-N 3.32Å; R206-R210 VanDerWaalsContact O-N 3.15Å; L207-R210 PolarHBondContact O-N 2.9Å; M208-R210 VanDerWaalsContact C-N 3.35Å; M208-R210 PolarHBondContact O-N 3.48Å; R210-L213 PolarHBondContact O-N 3Å; R210-T214 PolarHBondContact O-N 3.45Å; R210-T214 PolarHBondContact O-OG1 3.24Å; R210-T214 VanDerWaalsContact O-OG1 3.05Å
211	L	95.2	Very high	94.5	Very high	22 Å²	22	42.8 Å²	42.8	12%	0.115	23%	0.226	C	C	.	.	H	α-helix	trans	-65.1	-41.2	179.8	-67.9	173.7	0	0	0	111.7	L207 M208 D209 T214 D215 V376 I377 H380 F384	L207-L211 HydrophobicContact CD1-CD1 4.5Å; L207-L211 HydrophobicContact CD1-CG 4.38Å; L207-L211 HydrophobicContact CG-CD1 4.3Å; L207-L211 WeakPolarHBondContact O-CG 3.23Å; L207-L211 PolarHBondContact O-N 3.45Å; M208-L211 PolarHBondContact O-N 3.26Å; M208-L211 VanDerWaalsContact O-N 3.15Å; D209-L211 PolarHBondContact O-N 3.05Å; L211-T214 PolarHBondContact O-N 3.31Å; L211-D215 PolarHBondContact O-N 3.33Å; L211-V376 HydrophobicContact CB-CG1 4.12Å; L211-I377 HydrophobicContact CD1-CD1 4.3Å; L211-H380 HydrophobicContact CD1-CB 3.72Å; L211-F384 HydrophobicContact CD1-CE2 3.5Å; L211-F384 VanDerWaalsContact CD1-CE2 3.5Å; L211-F384 HydrophobicContact CD1-CZ 3.76Å
212	W	96.9	Very high	94.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-45	174.4	-63.9	-35.2	0	0	0	111.7	M208 D209 T214 D215 G216 I217 L219 M221 G291 V294 A373 I377	M208-W212 HydrophobicContact CB-CD2 4.36Å; M208-W212 HydrophobicContact CB-CE3 4.26Å; M208-W212 HydrophobicContact CB-CH2 3.69Å; M208-W212 HydrophobicContact CB-CZ2 3.8Å; M208-W212 HydrophobicContact CB-CZ3 3.93Å; M208-W212 HydrophobicContact CG-CH2 4.49Å; M208-W212 HydrophobicContact CG-CZ2 4.42Å; M208-W212 VanDerWaalsContact O-CD2 3.23Å; M208-W212 VanDerWaalsContact O-CG 3.25Å; M208-W212 PolarHBondContact O-N 3.41Å; M208-W212 HydrophobicContact SD-CH2 4.26Å; M208-W212 HydrophobicContact SD-CZ2 4.37Å; D209-W212 HydrophobicContact CB-CE3 4.49Å; D209-W212 PolarHBondContact O-N 3.03Å; W212-T214 VanDerWaalsContact C-N 3.34Å; W212-T214 PolarHBondContact O-N 3.44Å; W212-D215 CarbonylContact O-C 3.55Å; W212-D215 PolarHBondContact O-N 3.36Å; W212-G216 PolarHBondContact O-N 3.48Å; W212-I217 CarbonylContact C-O 3.56Å; W212-I217 HydrophobicContact CB-CB 4.37Å; W212-I217 PolarHBondContact O-N 2.99Å; W212-I217 VanDerWaalsContact O-O 3.1Å; W212-L219 HydrophobicContact CD2-CD1 3.52Å; W212-L219 HydrophobicContact CD2-CG 4.45Å; W212-L219 HydrophobicContact CE3-CB 4.36Å; W212-L219 HydrophobicContact CE3-CD1 3.46Å; W212-L219 VanDerWaalsContact CE3-CD1 3.46Å; W212-L219 HydrophobicContact CE3-CG 4.26Å; W212-L219 HydrophobicContact CG-CD1 4.03Å; W212-L219 HydrophobicContact CH2-CD1 4.21Å; W212-L219 HydrophobicContact CZ2-CD1 4.25Å; W212-L219 HydrophobicContact CZ3-CD1 3.83Å; W212-M221 HydrophobicContact CE3-CG 4.27Å; W212-M221 HydrophobicContact CZ3-CE 4.09Å; W212-M221 HydrophobicContact CZ3-CG 3.97Å; W212-M221 HydrophobicContact CZ3-SD 4.09Å; W212-G291 WeakPolarHBondContact CH2-O 3.1Å; W212-V294 HydrophobicContact CZ2-CB 4.39Å; W212-V294 HydrophobicContact CZ2-CG1 4.1Å; W212-A373 HydrophobicContact CZ2-CB 4.2Å; W212-A373 PolarHBondContact NE1-O 3.39Å; W212-I377 HydrophobicContact CZ2-CD1 4.12Å; W212-I377 HydrophobicContact CZ2-CG1 3.95Å
213	L	95.2	Very high	94.6	Very high	86 Å²	86	45.5 Å²	45.5	45%	0.45	24%	0.24	S	C	.	.	H	α-helix	trans	-62.1	-39.8	176.2	-71.3	169.1	0	0	0	112.1	D209 R210 D215 G216 I217 D218	D209-L213 WeakPolarHBondContact O-CB 3.5Å; D209-L213 VanDerWaalsContact O-CG 3.26Å; D209-L213 WeakPolarHBondContact O-CG 3.5Å; D209-L213 PolarHBondContact O-N 3.11Å; R210-L213 PolarHBondContact O-N 3Å; L213-D215 VanDerWaalsContact C-N 3.33Å; L213-G216 PolarHBondContact O-N 3.47Å; L213-G216 VanDerWaalsContact O-N 3.14Å; L213-I217 PolarHBondContact N-O 3.32Å; L213-D218 HydrophobicContact CD2-CB 4Å
214	T	93.2	Very high	94.7	Very high	125 Å²	125	42.6 Å²	42.6	77%	0.767	23%	0.227	S	C	*	.	H	α-helix	trans	-65.1	-34.9	175.2	-60.7	0	0	0	0	112.4	R210 L211 W212 G216	R210-T214 PolarHBondContact O-N 3.45Å; R210-T214 PolarHBondContact O-OG1 3.24Å; R210-T214 VanDerWaalsContact O-OG1 3.05Å; L211-T214 PolarHBondContact O-N 3.31Å; W212-T214 VanDerWaalsContact C-N 3.34Å; W212-T214 PolarHBondContact O-N 3.44Å; T214-G216 PolarHBondContact O-N 3.4Å
215	D	92.2	Very high	94.3	Very high	71 Å²	71	47.7 Å²	47.7	38%	0.38	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	1.5	174.6	-157.2	74.5	0	0	0	113.1	L211 W212 L213 H372 V376	L211-D215 PolarHBondContact O-N 3.33Å; W212-D215 CarbonylContact O-C 3.55Å; W212-D215 PolarHBondContact O-N 3.36Å; L213-D215 VanDerWaalsContact C-N 3.33Å; D215-H372 IonicContact OD2-CD2 3.38Å; D215-H372 IonicContact OD2-CE1 3.14Å; D215-H372 IonicContact OD2-NE2 2.81Å; D215-H372 PolarHBondContact OD2-NE2 3.35Å; D215-V376 HydrophobicContact CB-CG1 4.13Å; D215-V376 HydrophobicContact CB-CG2 3.81Å; D215-V376 VanDerWaalsContact CG-CG2 3.48Å; D215-V376 WeakPolarHBondContact OD2-CG2 3.28Å
216	G	91.3	Very high	93.9	Very high	70 Å²	70	48 Å²	48	72%	0.722	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.9	13.5	177.5	0	0	0	0	0	115.1	W212 L213 T214	W212-G216 PolarHBondContact O-N 3.48Å; L213-G216 PolarHBondContact O-N 3.47Å; L213-G216 VanDerWaalsContact O-N 3.14Å; T214-G216 PolarHBondContact O-N 3.4Å
217	I	92.6	Very high	93.2	Very high	11 Å²	11	47.8 Å²	47.8	6%	0.056	25%	0.249	C	C	.	.			trans	-106.1	112.3	178.4	-42.9	171.4	0	0	0	110.1	W212 L213 L219 L369 H372 V376	W212-I217 CarbonylContact C-O 3.56Å; W212-I217 HydrophobicContact CB-CB 4.37Å; W212-I217 PolarHBondContact O-N 2.99Å; W212-I217 VanDerWaalsContact O-O 3.1Å; L213-I217 PolarHBondContact N-O 3.32Å; I217-L219 HydrophobicContact CG2-CD2 3.56Å; I217-L219 HydrophobicContact CG2-CG 3.83Å; I217-L369 HydrophobicContact CG2-CD2 4.01Å; I217-H372 HydrophobicContact CD1-CB 4.02Å; I217-H372 WeakPolarHBondContact CD1-CD2 3.46Å; I217-H372 WeakPolarHBondContact CD1-CE1 2.84Å; I217-H372 WeakPolarHBondContact CD1-ND1 3.39Å; I217-H372 WeakPolarHBondContact CD1-NE2 3.38Å; I217-V376 HydrophobicContact CD1-CG2 4.04Å
218	D	95.3	Very high	92.5	Very high	72 Å²	72	47 Å²	47	39%	0.385	25%	0.245	S	C	.	.			trans	-96	97.3	171.9	175.4	11.2	0	0	0	110.6	L213 R220	L213-D218 HydrophobicContact CD2-CB 4Å; D218-R220 VanDerWaalsContact CG-NE 3.32Å; D218-R220 PolarHBondContact O-N 3.49Å; D218-R220 WeakPolarHBondContact OD1-CD 3.3Å; D218-R220 PolarHBondContact OD1-N 3.47Å; D218-R220 IonicContact OD1-NE 2.68Å; D218-R220 WeakPolarHBondContact OD2-CD 2.77Å; D218-R220 IonicContact OD2-CZ 2.78Å; D218-R220 IonicContact OD2-NE 3.07Å; D218-R220 PolarHBondContact OD2-NE 3.37Å; D218-R220 IonicContact OD2-NH2 2.68Å; D218-R220 PolarHBondContact OD2-NH2 3.34Å
219	L	96.2	Very high	91.3	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.			trans	-82.8	8.4	177.8	-62	-178.3	0	0	0	113.3	W212 I217 M221 C287 S288 A290 G291 L369 A373	W212-L219 HydrophobicContact CD2-CD1 3.52Å; W212-L219 HydrophobicContact CD2-CG 4.45Å; W212-L219 HydrophobicContact CE3-CB 4.36Å; W212-L219 HydrophobicContact CE3-CD1 3.46Å; W212-L219 VanDerWaalsContact CE3-CD1 3.46Å; W212-L219 HydrophobicContact CE3-CG 4.26Å; W212-L219 HydrophobicContact CG-CD1 4.03Å; W212-L219 HydrophobicContact CH2-CD1 4.21Å; W212-L219 HydrophobicContact CZ2-CD1 4.25Å; W212-L219 HydrophobicContact CZ3-CD1 3.83Å; I217-L219 HydrophobicContact CG2-CD2 3.56Å; I217-L219 HydrophobicContact CG2-CG 3.83Å; L219-M221 HydrophobicContact CB-CG 4.13Å; L219-M221 HydrophobicContact CB-SD 4.29Å; L219-M221 PolarHBondContact O-N 3.34Å; L219-C287 CarbonylContact O-C 3.6Å; L219-C287 VanDerWaalsContact O-O 3.11Å; L219-S288 WeakPolarHBondContact O-CA 3.39Å; L219-S288 PolarHBondContact O-N 2.76Å; L219-A290 HydrophobicContact CD2-CB 4.39Å; L219-G291 VanDerWaalsContact CD1-CA 3.48Å; L219-L369 HydrophobicContact CD2-CB 4.27Å; L219-L369 HydrophobicContact CD2-CD2 4Å; L219-A373 HydrophobicContact CD1-CB 3.64Å
220	R	96.1	Very high	90.1	Very high	76 Å²	76	47.5 Å²	47.5	29%	0.287	25%	0.247	S	C	.	.			trans	58	34.3	173	-53.2	-65.9	168.3	110.7	-15.8	113.6	D218 N284 C287 H316	D218-R220 VanDerWaalsContact CG-NE 3.32Å; D218-R220 PolarHBondContact O-N 3.49Å; D218-R220 WeakPolarHBondContact OD1-CD 3.3Å; D218-R220 PolarHBondContact OD1-N 3.47Å; D218-R220 IonicContact OD1-NE 2.68Å; D218-R220 WeakPolarHBondContact OD2-CD 2.77Å; D218-R220 IonicContact OD2-CZ 2.78Å; D218-R220 IonicContact OD2-NE 3.07Å; D218-R220 PolarHBondContact OD2-NE 3.37Å; D218-R220 IonicContact OD2-NH2 2.68Å; D218-R220 PolarHBondContact OD2-NH2 3.34Å; R220-N284 PolarHBondContact NH1-OD1 3.36Å; R220-C287 HydrophobicContact CB-CB 3.94Å; R220-C287 HydrophobicContact CG-CB 3.56Å; R220-H316 PolarHBondContact O-ND1 2.87Å
221	M	95.9	Very high	89	Confident	21 Å²	21	44.2 Å²	44.2	10%	0.103	25%	0.253	C	S	.	.			trans	-67.6	136.7	-176.4	-60.9	-62.1	-74.4	0	0	111.5	I205 D209 W212 L219 V223 W292	I205-M221 HydrophobicContact CG2-CE 3.77Å; D209-M221 HydrophobicContact CB-CB 4.33Å; D209-M221 HydrophobicContact CB-CG 4.32Å; D209-M221 WeakPolarHBondContact OD1-CB 3.42Å; D209-M221 WeakPolarHBondContact OD1-CG 3.45Å; W212-M221 HydrophobicContact CE3-CG 4.27Å; W212-M221 HydrophobicContact CZ3-CE 4.09Å; W212-M221 HydrophobicContact CZ3-CG 3.97Å; W212-M221 HydrophobicContact CZ3-SD 4.09Å; L219-M221 HydrophobicContact CB-CG 4.13Å; L219-M221 HydrophobicContact CB-SD 4.29Å; L219-M221 PolarHBondContact O-N 3.34Å; M221-V223 HydrophobicContact CB-CG2 4.12Å; M221-W292 HydrophobicContact CE-CD2 3.76Å; M221-W292 HydrophobicContact CE-CE3 4.48Å; M221-W292 HydrophobicContact CE-CG 3.79Å; M221-W292 HydrophobicContact CE-CZ2 4.29Å; M221-W292 HydrophobicContact SD-CG 4.46Å
222	I	94.5	Very high	88.2	Confident	36 Å²	36	51.2 Å²	51.2	19%	0.185	28%	0.278	C	S	.	.			trans	-103.8	113.2	163.9	-67.5	-176.5	0	0	0	107.6	V239 W292 T312 H316 F318	I222-V239 HydrophobicContact CD1-CG1 4.31Å; I222-V239 HydrophobicContact CG2-CG1 4.29Å; I222-V239 HydrophobicContact CG2-CG2 3.91Å; I222-W292 WeakPolarHBondContact O-CZ2 3.43Å; I222-T312 HydrophobicContact CD1-CG2 3.45Å; I222-T312 VanDerWaalsContact CD1-CG2 3.45Å; I222-H316 HydrophobicContact CD1-CB 3.35Å; I222-H316 HydrophobicContact CG1-CB 3.82Å; I222-F318 HydrophobicContact CB-CB 4.19Å; I222-F318 HydrophobicContact CB-CD1 4.32Å; I222-F318 HydrophobicContact CB-CG 4.3Å; I222-F318 HydrophobicContact CD1-CD1 4.37Å; I222-F318 HydrophobicContact CG2-CD1 4.34Å; I222-F318 HydrophobicContact CG2-CG 4.28Å
223	V	94.1	Very high	87.3	Confident	25 Å²	25	53.7 Å²	53.7	15%	0.152	29%	0.288	C	S	.	.			trans	-116.6	85.5	178.3	-165.2	0	0	0	0	109.6	L202 I205 R206 M221	L202-V223 HydrophobicContact CB-CG1 4.28Å; L202-V223 HydrophobicContact CD2-CG1 3.92Å; L202-V223 WeakPolarHBondContact O-CG1 3.42Å; I205-V223 HydrophobicContact CG2-CG1 4.35Å; I205-V223 HydrophobicContact CG2-CG2 3.81Å; R206-V223 HydrophobicContact CB-CG1 4.07Å; R206-V223 PolarHBondContact NH2-O 3.42Å; M221-V223 HydrophobicContact CB-CG2 4.12Å
224	Y	92.1	Very high	86.4	Confident	9 Å²	9	49.6 Å²	49.6	4%	0.035	27%	0.267	C	S	.	.			trans	-61.5	158.7	179.9	65	-85.3	0	0	0	111.7	L202 R206 I226 I236 F318 H319 I320 F322	L202-Y224 HydrophobicContact CD1-CD2 3.97Å; L202-Y224 HydrophobicContact CD1-CE1 4.15Å; L202-Y224 HydrophobicContact CD1-CE2 3.58Å; L202-Y224 HydrophobicContact CD1-CG 4.42Å; L202-Y224 HydrophobicContact CD2-CD1 4.26Å; L202-Y224 HydrophobicContact CD2-CE1 3.9Å; R206-Y224 PolarHBondContact NH2-O 3.08Å; Y224-I226 HydrophobicContact CD2-CG1 4.08Å; Y224-I226 HydrophobicContact CE2-CD1 3.76Å; Y224-I226 HydrophobicContact CE2-CG1 3.73Å; Y224-I236 HydrophobicContact CD2-CG2 3.84Å; Y224-I236 HydrophobicContact CE2-CG2 3.7Å; Y224-F318 HydrophobicContact CD1-CD2 4.14Å; Y224-F318 HydrophobicContact CD1-CE2 4.39Å; Y224-F318 HydrophobicContact CE1-CD2 4.29Å; Y224-H319 WeakPolarHBondContact CE1-O 3.45Å; Y224-I320 HydrophobicContact CE1-CG2 3.88Å; Y224-I320 WeakPolarHBondContact OH-CA 3.22Å; Y224-F322 HydrophobicContact CE1-CE2 4.46Å; Y224-F322 WeakPolarHBondContact OH-CE2 3.49Å
225	R	86.5	Confident	85.8	Confident	115 Å²	115	45 Å²	45	43%	0.434	24%	0.238	S	C	.	.			trans	-90.9	137.6	-178.8	-66.5	-174.3	-60.7	-68	-5.1	111.2	E237	R225-E237 HydrophobicContact CB-CB 4.14Å; R225-E237 WeakPolarHBondContact CB-OE2 3.25Å; R225-E237 WeakPolarHBondContact CG-OE2 3.07Å; R225-E237 VanDerWaalsContact CZ-CD 3.4Å; R225-E237 IonicContact CZ-OE1 3.05Å; R225-E237 IonicContact CZ-OE2 3.18Å; R225-E237 VanDerWaalsContact CZ-OE2 3.24Å; R225-E237 PolarHBondContact N-OE2 3.35Å; R225-E237 IonicContact NE-OE2 2.84Å; R225-E237 IonicContact NH1-OE1 3.11Å; R225-E237 PolarHBondContact NH1-OE1 3.09Å; R225-E237 IonicContact NH1-OE2 2.88Å; R225-E237 PolarHBondContact NH1-OE2 2.84Å; R225-E237 VanDerWaalsContact NH2-CD 3.29Å; R225-E237 IonicContact NH2-OE1 2.59Å; R225-E237 PolarHBondContact NH2-OE1 3.29Å; R225-E237 IonicContact NH2-OE2 2.67Å; R225-E237 WeakPolarHBondContact O-CB 3.42Å; R225-E237 PolarHBondContact O-N 2.82Å
226	I	85.3	Confident	85.4	Confident	7 Å²	7	42.6 Å²	42.6	4%	0.036	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140.6	165.4	-63.1	-174.7	0	0	0	107.3	L195 D198 F199 L202 Y224 P228 L235 I236	L195-I226 HydrophobicContact CB-CG2 3.83Å; L195-I226 HydrophobicContact CD1-CG2 4.04Å; D198-I226 HydrophobicContact CB-CD1 3.39Å; F199-I226 HydrophobicContact CB-CG2 4.29Å; F199-I226 HydrophobicContact CD2-CB 4.42Å; F199-I226 WeakPolarHBondContact CD2-O 3.48Å; F199-I226 WeakPolarHBondContact CE2-O 3.41Å; L202-I226 HydrophobicContact CD1-CB 4.36Å; L202-I226 HydrophobicContact CD1-CD1 3.4Å; L202-I226 HydrophobicContact CD1-CG1 3.54Å; Y224-I226 HydrophobicContact CD2-CG1 4.08Å; Y224-I226 HydrophobicContact CE2-CD1 3.76Å; Y224-I226 HydrophobicContact CE2-CG1 3.73Å; I226-P228 HydrophobicContact CG2-CG 4.45Å; I226-L235 CarbonylContact C-O 3.54Å; I226-L235 VanDerWaalsContact CA-O 3.32Å; I226-L235 WeakPolarHBondContact CA-O 3.28Å; I226-I236 HydrophobicContact CD1-CG1 4.37Å; I226-I236 HydrophobicContact CG1-CG1 4.12Å; I226-I236 HydrophobicContact CG1-CG2 4.33Å; I226-I236 HydrophobicContact CG2-CG1 4.5Å
227	I	81.4	Confident	85.1	Confident	44 Å²	44	41.4 Å²	41.4	23%	0.226	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	99.5	174.5	-53	176.6	0	0	0	107.3	W138 L229 G234 L235	W138-I227 HydrophobicContact CG-CG2 4.42Å; I227-L229 HydrophobicContact CB-CD2 4.45Å; I227-L229 HydrophobicContact CG2-CD2 3.66Å; I227-L229 HydrophobicContact CG2-CG 4.49Å; I227-L229 PolarHBondContact O-N 3.16Å; I227-G234 CarbonylContact O-C 3.56Å; I227-G234 WeakPolarHBondContact O-CA 3.48Å; I227-L235 HydrophobicContact CB-CB 4.46Å; I227-L235 PolarHBondContact N-O 3.09Å; I227-L235 PolarHBondContact O-N 3.17Å
228	P	79.6	Confident	84.8	Confident	14 Å²	14	43.3 Å²	43.3	9%	0.091	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	111.5	169.3	-15.3	30.2	0	0	0	108.6	L195 R196 F199 I226	L195-P228 HydrophobicContact CB-CG 4.42Å; R196-P228 HydrophobicContact CG-CB 4.34Å; F199-P228 HydrophobicContact CB-CG 3.7Å; F199-P228 HydrophobicContact CD1-CG 4.46Å; F199-P228 HydrophobicContact CD2-CG 4.21Å; F199-P228 HydrophobicContact CG-CG 3.89Å; I226-P228 HydrophobicContact CG2-CG 4.45Å
229	L	72.4	Confident	84.5	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-48.7	-175.6	-62.4	175.5	0	0	0	111.3	W138 V155 F189 I227 K233 L235	W138-L229 HydrophobicContact CD2-CD2 3.75Å; W138-L229 HydrophobicContact CE3-CB 4.43Å; W138-L229 HydrophobicContact CE3-CD2 3.45Å; W138-L229 VanDerWaalsContact CE3-CD2 3.45Å; W138-L229 HydrophobicContact CH2-CD2 3.81Å; W138-L229 HydrophobicContact CZ2-CD2 4.07Å; W138-L229 HydrophobicContact CZ3-CB 4.25Å; W138-L229 HydrophobicContact CZ3-CD2 3.49Å; W138-L229 VanDerWaalsContact CZ3-CD2 3.49Å; W138-L229 HydrophobicContact CZ3-CG 4.37Å; V155-L229 HydrophobicContact CG2-CD1 4.22Å; F189-L229 HydrophobicContact CE2-CD1 4.37Å; I227-L229 HydrophobicContact CB-CD2 4.45Å; I227-L229 HydrophobicContact CG2-CD2 3.66Å; I227-L229 HydrophobicContact CG2-CG 4.49Å; I227-L229 PolarHBondContact O-N 3.16Å; L229-K233 PolarHBondContact N-O 3.37Å; L229-L235 HydrophobicContact CD1-CD1 3.93Å; L229-L235 HydrophobicContact CD1-CG 3.81Å; L229-L235 HydrophobicContact CD2-CD1 4.41Å; L229-L235 HydrophobicContact CG-CG 4.46Å
230	Q	70.1	Confident	84	Confident	38 Å²	38	50.3 Å²	50.3	18%	0.178	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	177.3	-179	-65.2	-177.9	-11.1	0	0	110.2	V155 R232 K233	V155-Q230 HydrophobicContact CG1-CG 4.48Å; Q230-R232 PolarHBondContact O-N 3.46Å; Q230-R232 VanDerWaalsContact O-N 3.11Å; Q230-K233 HydrophobicContact CB-CB 4.25Å; Q230-K233 HydrophobicContact CB-CD 4.47Å; Q230-K233 PolarHBondContact N-O 3.31Å; Q230-K233 PolarHBondContact O-N 2.95Å; Q230-K233 VanDerWaalsContact O-N 3.12Å; Q230-K233 VanDerWaalsContact O-O 3.05Å
231	A	73.5	Confident	83.5	Confident	85 Å²	85	49.2 Å²	49.2	70%	0.702	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	120.3	171.9	0	0	0	0	0	110.1	K233	A231-K233 PolarHBondContact O-N 2.79Å
232	R	78.3	Confident	83.4	Confident	169 Å²	169	49 Å²	49	64%	0.638	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	25.3	-178.9	-57.7	-176.3	178.8	-173.7	0.2	115.5	G192 D193 D194 Q230	G192-R232 PolarHBondContact N-O 2.94Å; D193-R232 CarbonylContact O-C 3.52Å; D193-R232 WeakPolarHBondContact O-CA 3.3Å; D194-R232 HydrophobicContact CB-CG 4.48Å; Q230-R232 PolarHBondContact O-N 3.46Å; Q230-R232 VanDerWaalsContact O-N 3.11Å
233	K	77.1	Confident	83.2	Confident	51 Å²	51	50.6 Å²	50.6	22%	0.222	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	136.1	178.1	-59.6	173.9	-176.5	164.2	0	111	V155 E159 F189 Q190 A191 L229 Q230 A231	V155-K233 HydrophobicContact CG1-CD 4.48Å; E159-K233 HydrophobicContact CG-CD 4.42Å; E159-K233 VanDerWaalsContact OE1-CD 3.24Å; E159-K233 WeakPolarHBondContact OE1-CD 3.27Å; E159-K233 VanDerWaalsContact OE1-CE 3.24Å; E159-K233 WeakPolarHBondContact OE1-CE 3.46Å; E159-K233 IonicContact OE1-NZ 3.47Å; E159-K233 PolarHBondContact OE1-NZ 2.84Å; E159-K233 IonicContact OE2-NZ 3.67Å; E159-K233 PolarHBondContact OE2-NZ 2.97Å; F189-K233 HydrophobicContact CZ-CB 4.48Å; Q190-K233 WeakPolarHBondContact O-CA 3.4Å; A191-K233 HydrophobicContact CB-CG 4.19Å; L229-K233 PolarHBondContact N-O 3.37Å; Q230-K233 HydrophobicContact CB-CB 4.25Å; Q230-K233 HydrophobicContact CB-CD 4.47Å; Q230-K233 PolarHBondContact N-O 3.31Å; Q230-K233 PolarHBondContact O-N 2.95Å; Q230-K233 VanDerWaalsContact O-N 3.12Å; Q230-K233 VanDerWaalsContact O-O 3.05Å; A231-K233 PolarHBondContact O-N 2.79Å
234	G	77.1	Confident	83	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172	-174.6	171.4	0	0	0	0	0	115.1	Q190 I227	Q190-G234 PolarHBondContact N-O 3.46Å; Q190-G234 PolarHBondContact O-N 3.2Å; I227-G234 CarbonylContact O-C 3.56Å; I227-G234 WeakPolarHBondContact O-CA 3.48Å
235	L	79.6	Confident	82.8	Confident	29 Å²	29	50 Å²	50	15%	0.152	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139.5	-178.5	-67.3	167.1	0	0	0	110.8	L158 H187 I188 F189 I226 I227 L229	L158-L235 HydrophobicContact CD1-CD2 4.5Å; H187-L235 HydrophobicContact CB-CD2 4.46Å; I188-L235 CarbonylContact O-C 3.58Å; I188-L235 VanDerWaalsContact O-CA 3.3Å; I188-L235 WeakPolarHBondContact O-CA 3.37Å; F189-L235 HydrophobicContact CB-CD2 4.04Å; F189-L235 HydrophobicContact CD2-CD2 3.98Å; I226-L235 CarbonylContact C-O 3.54Å; I226-L235 VanDerWaalsContact CA-O 3.32Å; I226-L235 WeakPolarHBondContact CA-O 3.28Å; I227-L235 HydrophobicContact CB-CB 4.46Å; I227-L235 PolarHBondContact N-O 3.09Å; I227-L235 PolarHBondContact O-N 3.17Å; L229-L235 HydrophobicContact CD1-CD1 3.93Å; L229-L235 HydrophobicContact CD1-CG 3.81Å; L229-L235 HydrophobicContact CD2-CD1 4.41Å; L229-L235 HydrophobicContact CG-CG 4.46Å
236	I	84.7	Confident	82.6	Confident	21 Å²	21	46.5 Å²	46.5	11%	0.108	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.9	176.2	-58.2	179.4	0	0	0	108.9	H187 I188 Q190 L195 Y224 I226	H187-I236 CarbonylContact C-O 3.56Å; H187-I236 VanDerWaalsContact CA-O 3.25Å; H187-I236 WeakPolarHBondContact CA-O 3.34Å; I188-I236 HydrophobicContact CB-CB 4.25Å; I188-I236 PolarHBondContact N-O 3.2Å; I188-I236 PolarHBondContact O-N 3.19Å; Q190-I236 HydrophobicContact CB-CD1 4.47Å; L195-I236 HydrophobicContact CD1-CD1 4.27Å; L195-I236 HydrophobicContact CD1-CG1 4Å; L195-I236 HydrophobicContact CD2-CD1 4.11Å; Y224-I236 HydrophobicContact CD2-CG2 3.84Å; Y224-I236 HydrophobicContact CE2-CG2 3.7Å; I226-I236 HydrophobicContact CD1-CG1 4.37Å; I226-I236 HydrophobicContact CG1-CG1 4.12Å; I226-I236 HydrophobicContact CG1-CG2 4.33Å; I226-I236 HydrophobicContact CG2-CG1 4.5Å
237	E	85.5	Confident	82.6	Confident	45 Å²	45	51 Å²	51	21%	0.21	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	135.6	175.8	174.1	176.2	-148.3	0	0	111.8	R225	R225-E237 HydrophobicContact CB-CB 4.14Å; R225-E237 WeakPolarHBondContact CB-OE2 3.25Å; R225-E237 WeakPolarHBondContact CG-OE2 3.07Å; R225-E237 VanDerWaalsContact CZ-CD 3.4Å; R225-E237 IonicContact CZ-OE1 3.05Å; R225-E237 IonicContact CZ-OE2 3.18Å; R225-E237 VanDerWaalsContact CZ-OE2 3.24Å; R225-E237 PolarHBondContact N-OE2 3.35Å; R225-E237 IonicContact NE-OE2 2.84Å; R225-E237 IonicContact NH1-OE1 3.11Å; R225-E237 PolarHBondContact NH1-OE1 3.09Å; R225-E237 IonicContact NH1-OE2 2.88Å; R225-E237 PolarHBondContact NH1-OE2 2.84Å; R225-E237 VanDerWaalsContact NH2-CD 3.29Å; R225-E237 IonicContact NH2-OE1 2.59Å; R225-E237 PolarHBondContact NH2-OE1 3.29Å; R225-E237 IonicContact NH2-OE2 2.67Å; R225-E237 WeakPolarHBondContact O-CB 3.42Å; R225-E237 PolarHBondContact O-N 2.82Å
238	I	85.5	Confident	82.8	Confident	51 Å²	51	49 Å²	49	26%	0.262	25%	0.249	S	C	.	.			trans	-89.3	119.6	176.2	-61.6	170.8	0	0	0	109.8	L183 S186 I188 R240	L183-I238 HydrophobicContact CD2-CD1 3.3Å; S186-I238 PolarHBondContact O-N 2.94Å; I188-I238 HydrophobicContact CD1-CG1 4Å; I188-I238 HydrophobicContact CG1-CD1 3.7Å; I188-I238 HydrophobicContact CG1-CG1 3.45Å; I188-I238 VanDerWaalsContact CG1-CG1 3.45Å; I238-R240 PolarHBondContact O-N 2.79Å
239	V	88.1	Confident	83	Confident	32 Å²	32	48.3 Å²	48.3	19%	0.194	25%	0.245	C	C	.	.			trans	-78.6	105.8	169.9	-174.7	0	0	0	0	109	I222 G241 A242 T312 F318	I222-V239 HydrophobicContact CD1-CG1 4.31Å; I222-V239 HydrophobicContact CG2-CG1 4.29Å; I222-V239 HydrophobicContact CG2-CG2 3.91Å; V239-G241 PolarHBondContact O-N 3.47Å; V239-A242 HydrophobicContact CB-CB 4.16Å; V239-A242 HydrophobicContact CG1-CB 4.06Å; V239-A242 WeakPolarHBondContact O-CB 3.44Å; V239-A242 PolarHBondContact O-N 3.01Å; V239-T312 HydrophobicContact CG1-CG2 3.72Å; V239-F318 HydrophobicContact CB-CE1 4.19Å; V239-F318 HydrophobicContact CB-CE2 4.28Å; V239-F318 HydrophobicContact CB-CZ 3.64Å; V239-F318 HydrophobicContact CG1-CE1 3.92Å; V239-F318 HydrophobicContact CG1-CZ 3.91Å; V239-F318 HydrophobicContact CG2-CE1 4.38Å; V239-F318 HydrophobicContact CG2-CE2 3.87Å; V239-F318 HydrophobicContact CG2-CZ 3.72Å
240	R	87.5	Confident	83.3	Confident	186 Å²	186	51.4 Å²	51.4	70%	0.702	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	134.1	-173.5	-65.6	-176.9	174.3	-172.6	-3.7	112.3	F185 I238 A242	F185-R240 PolarHBondContact O-NH2 2.71Å; F185-R240 VanDerWaalsContact O-NH2 3.08Å; I238-R240 PolarHBondContact O-N 2.79Å; R240-A242 PolarHBondContact O-N 3.1Å
241	G	85.6	Confident	83.7	Confident	53 Å²	53	53.1 Å²	53.1	55%	0.546	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	-1.7	177	0	0	0	0	0	115.1	V239 P313	V239-G241 PolarHBondContact O-N 3.47Å; G241-P313 VanDerWaalsContact O-CD 3.27Å; G241-P313 WeakPolarHBondContact O-CD 3.32Å; G241-P313 WeakPolarHBondContact O-CG 3.3Å
242	A	92.2	Very high	83.4	Confident	17 Å²	17	51.4 Å²	51.4	14%	0.14	25%	0.25	C	S	.	.			trans	-69.2	140.7	175.9	0	0	0	0	0	111	V239 R240 M310 I311 T312 F318	V239-A242 HydrophobicContact CB-CB 4.16Å; V239-A242 HydrophobicContact CG1-CB 4.06Å; V239-A242 WeakPolarHBondContact O-CB 3.44Å; V239-A242 PolarHBondContact O-N 3.01Å; R240-A242 PolarHBondContact O-N 3.1Å; A242-M310 HydrophobicContact CB-CB 4.42Å; A242-M310 HydrophobicContact CB-CE 3.72Å; A242-M310 HydrophobicContact CB-SD 4.5Å; A242-I311 WeakPolarHBondContact CA-O 3.38Å; A242-T312 HydrophobicContact CB-CG2 4.22Å; A242-F318 HydrophobicContact CB-CE1 3.71Å; A242-F318 HydrophobicContact CB-CZ 3.64Å
243	K	91.1	Very high	82.6	Confident	69 Å²	69	44 Å²	44	30%	0.3	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	147.1	171.5	-75.4	-173.8	170.5	-176.8	0	109.9	E247 I248 E251 W267 M310 I311	K243-E247 WeakPolarHBondContact CA-OE2 3.34Å; K243-E247 HydrophobicContact CB-CB 4.3Å; K243-I248 HydrophobicContact CB-CD1 4.25Å; K243-I248 HydrophobicContact CB-CG1 3.95Å; K243-E251 IonicContact NZ-OE2 2.73Å; K243-E251 PolarHBondContact NZ-OE2 3.1Å; K243-W267 HydrophobicContact CB-CZ2 4.2Å; K243-W267 HydrophobicContact CD-CZ2 4.05Å; K243-W267 HydrophobicContact CG-CZ2 4.26Å; K243-M310 CarbonylContact O-C 3.47Å; K243-M310 VanDerWaalsContact O-CA 3.23Å; K243-M310 WeakPolarHBondContact O-CA 3.45Å; K243-I311 PolarHBondContact N-O 3.2Å; K243-I311 PolarHBondContact O-N 2.74Å
244	T	90	Very high	82.2	Confident	21 Å²	21	43.1 Å²	43.1	13%	0.129	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	152.9	170.3	65.8	0	0	0	0	110	R246 E247 I248 D307 V309 M310	T244-R246 PolarHBondContact O-N 2.77Å; T244-E247 PolarHBondContact N-OE2 3.25Å; T244-E247 PolarHBondContact O-N 2.88Å; T244-E247 VanDerWaalsContact O-N 3.12Å; T244-E247 WeakPolarHBondContact OG1-CB 3.01Å; T244-E247 WeakPolarHBondContact OG1-CG 3.04Å; T244-E247 PolarHBondContact OG1-N 2.86Å; T244-E247 VanDerWaalsContact OG1-N 3.14Å; T244-E247 PolarHBondContact OG1-OE2 2.96Å; T244-I248 WeakPolarHBondContact O-CG1 3.32Å; T244-I248 PolarHBondContact O-N 3.25Å; T244-I248 VanDerWaalsContact O-N 3.11Å; T244-D307 WeakPolarHBondContact CG2-O 2.98Å; T244-V309 CarbonylContact C-O 3.55Å; T244-V309 WeakPolarHBondContact CA-O 3.49Å; T244-M310 HydrophobicContact CG2-CE 4.34Å; T244-M310 HydrophobicContact CG2-CG 4.08Å
245	L	87.4	Confident	81.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-31.7	177.1	179.3	56.7	0	0	0	111.1	I248 Q249 I264 N306 V309 I311 M348	L245-I248 PolarHBondContact O-N 2.84Å; L245-Q249 HydrophobicContact CD1-CG 4.43Å; L245-Q249 VanDerWaalsContact O-CG 3.27Å; L245-Q249 WeakPolarHBondContact O-CG 3.44Å; L245-Q249 PolarHBondContact O-N 3.32Å; L245-I264 HydrophobicContact CD1-CD1 3.63Å; L245-I264 HydrophobicContact CD1-CG1 3.47Å; L245-I264 VanDerWaalsContact CD1-CG1 3.47Å; L245-N306 HydrophobicContact CB-CB 4.13Å; L245-N306 WeakPolarHBondContact CB-O 3.14Å; L245-N306 HydrophobicContact CD2-CB 4.47Å; L245-N306 WeakPolarHBondContact CD2-OD1 3.4Å; L245-N306 HydrophobicContact CG-CB 4.23Å; L245-N306 PolarHBondContact N-O 2.76Å; L245-N306 VanDerWaalsContact N-O 3.16Å; L245-V309 PolarHBondContact N-O 3.11Å; L245-I311 HydrophobicContact CD1-CD1 4.25Å; L245-M348 HydrophobicContact CD2-CE 3.76Å
246	R	81.8	Confident	80.5	Confident	43 Å²	43	49.5 Å²	49.5	16%	0.162	27%	0.272	C	S	.	.	H	α-helix	trans	-67.2	-43.1	174.2	-172.6	-173.7	172	-158.8	-3.7	112.9	T244 I248 Q249 T250 N306 D307	T244-R246 PolarHBondContact O-N 2.77Å; R246-I248 VanDerWaalsContact C-N 3.26Å; R246-I248 PolarHBondContact O-N 3.04Å; R246-Q249 PolarHBondContact O-N 3.37Å; R246-T250 WeakPolarHBondContact O-CB 3.28Å; R246-T250 PolarHBondContact O-N 2.91Å; R246-T250 PolarHBondContact O-OG1 3.43Å; R246-N306 HydrophobicContact CB-CB 4Å; R246-N306 PolarHBondContact N-O 2.87Å; R246-N306 VanDerWaalsContact N-O 3.14Å; R246-D307 WeakPolarHBondContact CD-OD1 3.43Å; R246-D307 IonicContact CZ-OD1 3.81Å; R246-D307 IonicContact NE-OD1 3.59Å; R246-D307 IonicContact NH1-OD1 3.24Å; R246-D307 PolarHBondContact NH1-OD1 2.99Å
247	E	86.1	Confident	79.3	Confident	101 Å²	101	48.5 Å²	48.5	47%	0.472	27%	0.267	S	S	.	.	H	α-helix	trans	-58.6	-42.9	174.9	-76.1	168.3	149.6	0	0	110.7	K243 T244 T250 E251	K243-E247 WeakPolarHBondContact CA-OE2 3.34Å; K243-E247 HydrophobicContact CB-CB 4.3Å; T244-E247 PolarHBondContact N-OE2 3.25Å; T244-E247 PolarHBondContact O-N 2.88Å; T244-E247 VanDerWaalsContact O-N 3.12Å; T244-E247 WeakPolarHBondContact OG1-CB 3.01Å; T244-E247 WeakPolarHBondContact OG1-CG 3.04Å; T244-E247 PolarHBondContact OG1-N 2.86Å; T244-E247 VanDerWaalsContact OG1-N 3.14Å; T244-E247 PolarHBondContact OG1-OE2 2.96Å; E247-T250 PolarHBondContact O-N 2.98Å; E247-E251 WeakPolarHBondContact O-CB 3.36Å; E247-E251 PolarHBondContact O-N 3.19Å
248	I	86.3	Confident	78.1	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-46.1	177.2	-67.4	169.9	0	0	0	111.3	K243 T244 L245 R246 T250 W267 I311	K243-I248 HydrophobicContact CB-CD1 4.25Å; K243-I248 HydrophobicContact CB-CG1 3.95Å; T244-I248 WeakPolarHBondContact O-CG1 3.32Å; T244-I248 PolarHBondContact O-N 3.25Å; T244-I248 VanDerWaalsContact O-N 3.11Å; L245-I248 PolarHBondContact O-N 2.84Å; R246-I248 VanDerWaalsContact C-N 3.26Å; R246-I248 PolarHBondContact O-N 3.04Å; I248-T250 PolarHBondContact O-N 3.22Å; I248-W267 HydrophobicContact CB-CG 4.44Å; I248-W267 HydrophobicContact CD1-CD2 3.79Å; I248-W267 HydrophobicContact CD1-CE3 3.77Å; I248-W267 HydrophobicContact CD1-CG 4.33Å; I248-W267 HydrophobicContact CD1-CH2 4.24Å; I248-W267 HydrophobicContact CD1-CZ2 4.27Å; I248-W267 HydrophobicContact CD1-CZ3 4Å; I248-W267 HydrophobicContact CG1-CD2 3.85Å; I248-W267 HydrophobicContact CG1-CE3 4.35Å; I248-W267 HydrophobicContact CG1-CG 3.97Å; I248-W267 HydrophobicContact CG1-CZ2 4.42Å; I248-W267 HydrophobicContact CG2-CB 3.62Å; I248-W267 HydrophobicContact CG2-CD2 4.36Å; I248-W267 HydrophobicContact CG2-CG 3.81Å; I248-I311 HydrophobicContact CD1-CB 3.92Å; I248-I311 HydrophobicContact CD1-CD1 3.92Å; I248-I311 HydrophobicContact CD1-CG1 4.18Å
249	Q	82.6	Confident	76.9	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-39	178	-73.5	163.5	-13.9	0	0	112.1	L245 R246 G253 G257 N306 E347	L245-Q249 HydrophobicContact CD1-CG 4.43Å; L245-Q249 VanDerWaalsContact O-CG 3.27Å; L245-Q249 WeakPolarHBondContact O-CG 3.44Å; L245-Q249 PolarHBondContact O-N 3.32Å; R246-Q249 PolarHBondContact O-N 3.37Å; Q249-G253 PolarHBondContact O-N 3.17Å; Q249-G257 WeakPolarHBondContact O-CA 3.19Å; Q249-N306 VanDerWaalsContact CD-ND2 3.29Å; Q249-N306 PolarHBondContact NE2-ND2 3.3Å; Q249-N306 PolarHBondContact OE1-ND2 3.42Å; Q249-E347 PolarHBondContact NE2-OE2 3.02Å
250	T	79.3	Confident	76	Confident	67 Å²	67	53.4 Å²	53.4	41%	0.411	29%	0.287	S	S	.	.	H	α-helix	trans	-71.7	-32.7	-177.5	-51.5	0	0	0	0	111.5	R246 E247 I248 D252 G254	R246-T250 WeakPolarHBondContact O-CB 3.28Å; R246-T250 PolarHBondContact O-N 2.91Å; R246-T250 PolarHBondContact O-OG1 3.43Å; E247-T250 PolarHBondContact O-N 2.98Å; I248-T250 PolarHBondContact O-N 3.22Å; T250-D252 VanDerWaalsContact C-N 3.3Å; T250-D252 PolarHBondContact O-N 2.86Å; T250-G254 WeakPolarHBondContact O-CA 3.34Å; T250-G254 PolarHBondContact O-N 2.99Å
251	E	78.7	Confident	75.3	Confident	74 Å²	74	45.9 Å²	45.9	35%	0.346	27%	0.267	S	S	.	.	H	α-helix	trans	-58.6	-38.1	178.7	-168	173.4	161.3	0	0	112.4	K243 E247 K270	K243-E251 IonicContact NZ-OE2 2.73Å; K243-E251 PolarHBondContact NZ-OE2 3.1Å; E247-E251 WeakPolarHBondContact O-CB 3.36Å; E247-E251 PolarHBondContact O-N 3.19Å; E251-K270 IonicContact OE1-NZ 2.83Å; E251-K270 PolarHBondContact OE1-NZ 3.38Å
252	D	66.6	Low	75.1	Confident	48 Å²	48	45 Å²	45	26%	0.257	25%	0.25	S	S	.	.	H	α-helix	trans	-96.3	-25.8	-175	-91.1	3.9	0	0	0	114.5	T250 R260 R266	T250-D252 VanDerWaalsContact C-N 3.3Å; T250-D252 PolarHBondContact O-N 2.86Å; D252-R260 PolarHBondContact O-NH1 3.36Å; D252-R266 WeakPolarHBondContact OD2-CB 3.26Å; D252-R266 WeakPolarHBondContact OD2-CD 3.02Å
253	G	62.1	Low	74.8	Confident	15 Å²	15	44.2 Å²	44.2	16%	0.155	24%	0.243	C	C	.	.	H	α-helix	trans	-143.9	8.9	-167.9	0	0	0	0	0	116.3	Q249 T256 G257	Q249-G253 PolarHBondContact O-N 3.17Å; G253-T256 PolarHBondContact O-N 3.36Å; G253-T256 PolarHBondContact O-OG1 2.94Å; G253-G257 PolarHBondContact O-N 3.23Å
254	G	67.4	Low	74.6	Confident	32 Å²	32	40.9 Å²	40.9	33%	0.33	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	55.7	-144.3	-172.5	0	0	0	0	0	111.6	T250 T256 G257	T250-G254 WeakPolarHBondContact O-CA 3.34Å; T250-G254 PolarHBondContact O-N 2.99Å; G254-T256 PolarHBondContact O-N 3.19Å; G254-T256 VanDerWaalsContact O-N 3.15Å; G254-G257 PolarHBondContact O-N 2.97Å
255	V	58.3	Low	74.4	Confident	74 Å²	74	40.7 Å²	40.7	45%	0.448	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-59.9	-28.2	179.6	-169.1	0	0	0	0	112.4	G257 V446 S449	V255-G257 VanDerWaalsContact C-N 3.29Å; V255-G257 PolarHBondContact O-N 3.15Å; V255-V446 HydrophobicContact CG1-CG2 4.47Å; V255-S449 WeakPolarHBondContact CG2-OG 3.39Å
256	T	63.1	Low	74.4	Confident	88 Å²	88	45.9 Å²	45.9	54%	0.54	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-82.3	-4.6	177.6	67.8	0	0	0	0	113.8	G253 G254 V258 L259	G253-T256 PolarHBondContact O-N 3.36Å; G253-T256 PolarHBondContact O-OG1 2.94Å; G254-T256 PolarHBondContact O-N 3.19Å; G254-T256 VanDerWaalsContact O-N 3.15Å; T256-V258 PolarHBondContact O-N 3.29Å; T256-L259 WeakPolarHBondContact O-CB 3.28Å; T256-L259 PolarHBondContact O-N 3.48Å
257	G	60	Low	74.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-55.8	-33.6	-179.2	0	0	0	0	0	113.6	Q249 G253 G254 V255 L259 R260	Q249-G257 WeakPolarHBondContact O-CA 3.19Å; G253-G257 PolarHBondContact O-N 3.23Å; G254-G257 PolarHBondContact O-N 2.97Å; V255-G257 VanDerWaalsContact C-N 3.29Å; V255-G257 PolarHBondContact O-N 3.15Å; G257-L259 PolarHBondContact O-N 3.01Å; G257-R260 WeakPolarHBondContact O-CB 3.36Å; G257-R260 PolarHBondContact O-N 3.3Å
258	V	60.2	Low	75	Confident	10 Å²	10	39.3 Å²	39.3	6%	0.061	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-58.2	-22.8	176.1	-167.9	0	0	0	0	112.9	T256 F441 A445	T256-V258 PolarHBondContact O-N 3.29Å; V258-F441 HydrophobicContact CG1-CB 3.67Å; V258-F441 HydrophobicContact CG1-CD2 4.32Å; V258-A445 HydrophobicContact CG2-CB 4.26Å
259	L	60.9	Low	75.1	Confident	123 Å²	123	44.4 Å²	44.4	64%	0.644	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-84.7	-15.3	178.2	-59.8	175.5	0	0	0	113	T256 G257 L442	T256-L259 WeakPolarHBondContact O-CB 3.28Å; T256-L259 PolarHBondContact O-N 3.48Å; G257-L259 PolarHBondContact O-N 3.01Å; L259-L442 HydrophobicContact CD2-CD1 4.33Å
260	R	69	Low	75.5	Confident	98 Å²	98	50.7 Å²	50.7	37%	0.37	27%	0.268	S	S	.	.			trans	-80	128.4	176.6	-65.1	-170.6	178.4	174.6	6.5	109.2	D252 G257 D262 S263	D252-R260 PolarHBondContact O-NH1 3.36Å; G257-R260 WeakPolarHBondContact O-CB 3.36Å; G257-R260 PolarHBondContact O-N 3.3Å; R260-D262 VanDerWaalsContact C-N 3.28Å; R260-S263 PolarHBondContact O-OG 3.41Å
261	G	72.8	Confident	76	Confident	28 Å²	28	51 Å²	51	29%	0.289	27%	0.265	S	S	.	.	S	Bend	trans	-80.9	-8	-179.9	0	0	0	0	0	114	Y350	G261-Y350 VanDerWaalsContact O-CB 3.28Å; G261-Y350 WeakPolarHBondContact O-CB 3.46Å; G261-Y350 WeakPolarHBondContact O-CD1 3.33Å
262	D	81.7	Confident	76.5	Confident	35 Å²	35	48.4 Å²	48.4	19%	0.187	25%	0.254	C	S	.	.	S	Bend	trans	-118.5	7.9	-169.1	64	-22.4	0	0	0	114.7	R260 Q265 R266 Y350	R260-D262 VanDerWaalsContact C-N 3.28Å; D262-Q265 WeakPolarHBondContact O-CB 3.47Å; D262-Q265 PolarHBondContact O-N 2.5Å; D262-R266 WeakPolarHBondContact O-CG 3.4Å; D262-R266 PolarHBondContact O-N 3.11Å; D262-R266 IonicContact OD1-CZ 3.82Å; D262-R266 IonicContact OD1-NE 3.31Å; D262-R266 IonicContact OD1-NH2 3.4Å; D262-R266 IonicContact OD2-CZ 3.07Å; D262-R266 IonicContact OD2-NE 3.05Å; D262-R266 PolarHBondContact OD2-NE 2.99Å; D262-R266 IonicContact OD2-NH2 3.88Å; D262-R266 PolarHBondContact OD2-NH2 2.96Å; D262-Y350 HydrophobicContact CB-CD1 3.89Å; D262-Y350 HydrophobicContact CB-CE1 3.4Å
263	S	84.8	Confident	77.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.2	-48.1	-177.8	18.2	0	0	0	0	113.3	R260 Q265 R266 W267 E347	R260-S263 PolarHBondContact O-OG 3.41Å; S263-Q265 PolarHBondContact O-N 3.43Å; S263-R266 PolarHBondContact O-N 3.42Å; S263-W267 WeakPolarHBondContact O-CB 3.49Å; S263-W267 PolarHBondContact O-N 2.95Å; S263-E347 VanDerWaalsContact CB-OE1 3.22Å; S263-E347 WeakPolarHBondContact CB-OE1 3.48Å; S263-E347 VanDerWaalsContact OG-CD 3.3Å; S263-E347 PolarHBondContact OG-OE1 3.37Å
264	I	87.7	Confident	78.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-53.2	-45.9	173.2	-68.7	165.6	0	0	0	110.9	L245 W267 L268 F285 I311 E347 M348 A351	L245-I264 HydrophobicContact CD1-CD1 3.63Å; L245-I264 HydrophobicContact CD1-CG1 3.47Å; L245-I264 VanDerWaalsContact CD1-CG1 3.47Å; I264-W267 PolarHBondContact O-N 3.16Å; I264-L268 HydrophobicContact CG2-CD1 3.89Å; I264-L268 HydrophobicContact CG2-CG 4.36Å; I264-L268 WeakPolarHBondContact O-CB 3.49Å; I264-L268 WeakPolarHBondContact O-CG 3.43Å; I264-L268 PolarHBondContact O-N 3.29Å; I264-F285 HydrophobicContact CD1-CE2 4.34Å; I264-F285 HydrophobicContact CD1-CZ 3.95Å; I264-F285 HydrophobicContact CG2-CD2 4.4Å; I264-F285 HydrophobicContact CG2-CE2 3.97Å; I264-F285 HydrophobicContact CG2-CZ 4.11Å; I264-I311 HydrophobicContact CD1-CD1 4.23Å; I264-I311 HydrophobicContact CG1-CD1 3.93Å; I264-I311 HydrophobicContact CG2-CD1 4.05Å; I264-E347 HydrophobicContact CD1-CB 4.46Å; I264-E347 HydrophobicContact CD1-CG 3.88Å; I264-E347 HydrophobicContact CG1-CG 4.13Å; I264-E347 WeakPolarHBondContact CG1-OE1 3.45Å; I264-E347 PolarHBondContact N-OE1 3.47Å; I264-M348 HydrophobicContact CD1-CG 3.93Å; I264-A351 HydrophobicContact CB-CB 4.18Å; I264-A351 HydrophobicContact CG2-CB 3.71Å
265	Q	85.6	Confident	78.9	Confident	17 Å²	17	52.9 Å²	52.9	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-64.5	-49.6	-175.8	-171	-178.9	-37.7	0	0	111.6	D262 S263 W267 L268 Q269 Y278 Y350 S355	D262-Q265 WeakPolarHBondContact O-CB 3.47Å; D262-Q265 PolarHBondContact O-N 2.5Å; S263-Q265 PolarHBondContact O-N 3.43Å; Q265-W267 VanDerWaalsContact C-N 3.29Å; Q265-W267 PolarHBondContact O-N 2.89Å; Q265-L268 PolarHBondContact O-N 2.96Å; Q265-Q269 WeakPolarHBondContact O-CB 3.48Å; Q265-Q269 PolarHBondContact O-N 3.21Å; Q265-Y278 HydrophobicContact CG-CE2 4.45Å; Q265-Y278 WeakPolarHBondContact CG-OH 3.49Å; Q265-Y278 PolarHBondContact NE2-OH 3.48Å; Q265-Y350 HydrophobicContact CB-CE1 4.48Å; Q265-S355 VanDerWaalsContact NE2-CB 3.31Å; Q265-S355 PolarHBondContact NE2-OG 2.73Å; Q265-S355 VanDerWaalsContact NE2-OG 3.11Å; Q265-S355 VanDerWaalsContact OE1-CB 3.24Å; Q265-S355 VanDerWaalsContact OE1-N 3.16Å
266	R	86.3	Confident	79.9	Confident	108 Å²	108	53.9 Å²	53.9	41%	0.408	28%	0.276	S	S	.	.	H	α-helix	trans	-61.2	-41	178.2	-71.5	179.9	-172.6	-174.6	4.1	111.6	D252 D262 S263 Q269 K270	D252-R266 WeakPolarHBondContact OD2-CB 3.26Å; D252-R266 WeakPolarHBondContact OD2-CD 3.02Å; D262-R266 WeakPolarHBondContact O-CG 3.4Å; D262-R266 PolarHBondContact O-N 3.11Å; D262-R266 IonicContact OD1-CZ 3.82Å; D262-R266 IonicContact OD1-NE 3.31Å; D262-R266 IonicContact OD1-NH2 3.4Å; D262-R266 IonicContact OD2-CZ 3.07Å; D262-R266 IonicContact OD2-NE 3.05Å; D262-R266 PolarHBondContact OD2-NE 2.99Å; D262-R266 IonicContact OD2-NH2 3.88Å; D262-R266 PolarHBondContact OD2-NH2 2.96Å; S263-R266 PolarHBondContact O-N 3.42Å; R266-Q269 PolarHBondContact O-N 3.27Å; R266-K270 WeakPolarHBondContact O-CB 3.23Å; R266-K270 PolarHBondContact O-N 2.93Å
267	W	90.2	Very high	81.1	Confident	7 Å²	7	54.2 Å²	54.2	3%	0.027	27%	0.271	C	S	.	.	H	α-helix	trans	-63	-48.1	176.7	-176.7	84.3	0	0	0	111.5	K243 I248 S263 I264 Q265 Q269 K270 Q271 I311 T312	K243-W267 HydrophobicContact CB-CZ2 4.2Å; K243-W267 HydrophobicContact CD-CZ2 4.05Å; K243-W267 HydrophobicContact CG-CZ2 4.26Å; I248-W267 HydrophobicContact CB-CG 4.44Å; I248-W267 HydrophobicContact CD1-CD2 3.79Å; I248-W267 HydrophobicContact CD1-CE3 3.77Å; I248-W267 HydrophobicContact CD1-CG 4.33Å; I248-W267 HydrophobicContact CD1-CH2 4.24Å; I248-W267 HydrophobicContact CD1-CZ2 4.27Å; I248-W267 HydrophobicContact CD1-CZ3 4Å; I248-W267 HydrophobicContact CG1-CD2 3.85Å; I248-W267 HydrophobicContact CG1-CE3 4.35Å; I248-W267 HydrophobicContact CG1-CG 3.97Å; I248-W267 HydrophobicContact CG1-CZ2 4.42Å; I248-W267 HydrophobicContact CG2-CB 3.62Å; I248-W267 HydrophobicContact CG2-CD2 4.36Å; I248-W267 HydrophobicContact CG2-CG 3.81Å; S263-W267 WeakPolarHBondContact O-CB 3.49Å; S263-W267 PolarHBondContact O-N 2.95Å; I264-W267 PolarHBondContact O-N 3.16Å; Q265-W267 VanDerWaalsContact C-N 3.29Å; Q265-W267 PolarHBondContact O-N 2.89Å; W267-Q269 VanDerWaalsContact C-N 3.3Å; W267-Q269 PolarHBondContact O-N 3.04Å; W267-K270 WeakPolarHBondContact O-CB 3.33Å; W267-K270 PolarHBondContact O-N 3.3Å; W267-Q271 HydrophobicContact CD2-CG 4.11Å; W267-Q271 HydrophobicContact CE3-CG 4.38Å; W267-Q271 HydrophobicContact CH2-CG 4.26Å; W267-Q271 HydrophobicContact CZ2-CG 3.96Å; W267-Q271 HydrophobicContact CZ3-CG 4.45Å; W267-Q271 WeakPolarHBondContact O-CG 3.37Å; W267-Q271 PolarHBondContact O-N 2.89Å; W267-I311 HydrophobicContact CE3-CG2 4.49Å; W267-I311 HydrophobicContact CH2-CG2 4.48Å; W267-I311 WeakPolarHBondContact CH2-O 3.38Å; W267-I311 HydrophobicContact CZ3-CB 4.08Å; W267-I311 HydrophobicContact CZ3-CG2 3.72Å; W267-T312 WeakPolarHBondContact CZ3-O 3.34Å
268	L	91.1	Very high	82.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.6	-38	176	-72.1	175.8	0	0	0	112.4	I264 Q265 Q271 N272 Y278 A281 L282 F285 I311	I264-L268 HydrophobicContact CG2-CD1 3.89Å; I264-L268 HydrophobicContact CG2-CG 4.36Å; I264-L268 WeakPolarHBondContact O-CB 3.49Å; I264-L268 WeakPolarHBondContact O-CG 3.43Å; I264-L268 PolarHBondContact O-N 3.29Å; Q265-L268 PolarHBondContact O-N 2.96Å; L268-Q271 PolarHBondContact O-N 2.93Å; L268-N272 WeakPolarHBondContact O-CB 3.48Å; L268-N272 PolarHBondContact O-N 3.47Å; L268-N272 PolarHBondContact O-ND2 2.87Å; L268-Y278 HydrophobicContact CB-CD2 4.35Å; L268-Y278 HydrophobicContact CB-CE2 4.11Å; L268-A281 HydrophobicContact CD2-CB 4.38Å; L268-L282 HydrophobicContact CD1-CD2 3.92Å; L268-F285 HydrophobicContact CD1-CB 4.46Å; L268-I311 HydrophobicContact CD2-CG2 4.24Å
269	Q	89.1	Confident	83.7	Confident	108 Å²	108	57 Å²	57	51%	0.505	28%	0.282	S	S	.	.	H	α-helix	trans	-66.6	-38.9	176.3	-168.3	174.8	14	0	0	111.8	Q265 R266 W267 N272 Y278	Q265-Q269 WeakPolarHBondContact O-CB 3.48Å; Q265-Q269 PolarHBondContact O-N 3.21Å; R266-Q269 PolarHBondContact O-N 3.27Å; W267-Q269 VanDerWaalsContact C-N 3.3Å; W267-Q269 PolarHBondContact O-N 3.04Å; Q269-N272 CarbonylContact O-C 3.48Å; Q269-N272 PolarHBondContact O-N 3Å; Q269-Y278 HydrophobicContact CB-CD2 3.95Å; Q269-Y278 HydrophobicContact CB-CE2 3.62Å; Q269-Y278 HydrophobicContact CG-CD2 4.38Å; Q269-Y278 HydrophobicContact CG-CE2 4.27Å
270	K	89.8	Confident	85	Confident	133 Å²	133	54.7 Å²	54.7	58%	0.578	27%	0.27	S	S	*	.	H	α-helix	trans	-65	-37.2	174.5	-177.3	-178.7	176.9	-176.2	0	112.2	E251 R266 W267	E251-K270 IonicContact OE1-NZ 2.83Å; E251-K270 PolarHBondContact OE1-NZ 3.38Å; R266-K270 WeakPolarHBondContact O-CB 3.23Å; R266-K270 PolarHBondContact O-N 2.93Å; W267-K270 WeakPolarHBondContact O-CB 3.33Å; W267-K270 PolarHBondContact O-N 3.3Å
271	Q	90.2	Very high	86.2	Confident	74 Å²	74	50 Å²	50	35%	0.346	25%	0.252	S	S	.	.	H	α-helix	trans	-77.2	-23.5	178.4	-63.2	-52.9	-52.7	0	0	113.5	W267 L268 P313	W267-Q271 HydrophobicContact CD2-CG 4.11Å; W267-Q271 HydrophobicContact CE3-CG 4.38Å; W267-Q271 HydrophobicContact CH2-CG 4.26Å; W267-Q271 HydrophobicContact CZ2-CG 3.96Å; W267-Q271 HydrophobicContact CZ3-CG 4.45Å; W267-Q271 WeakPolarHBondContact O-CG 3.37Å; W267-Q271 PolarHBondContact O-N 2.89Å; L268-Q271 PolarHBondContact O-N 2.93Å; Q271-P313 HydrophobicContact CB-CB 4.14Å; Q271-P313 HydrophobicContact CG-CB 4.21Å
272	N	89.2	Confident	87.1	Confident	19 Å²	19	48.7 Å²	48.7	10%	0.102	24%	0.239	C	C	.	.			trans	-128.4	83.7	-175.1	-57.7	-87.8	0	0	0	109.5	L268 Q269 S274 E277 P313	L268-N272 WeakPolarHBondContact O-CB 3.48Å; L268-N272 PolarHBondContact O-N 3.47Å; L268-N272 PolarHBondContact O-ND2 2.87Å; Q269-N272 CarbonylContact O-C 3.48Å; Q269-N272 PolarHBondContact O-N 3Å; N272-S274 VanDerWaalsContact C-N 3.28Å; N272-S274 PolarHBondContact O-N 3.35Å; N272-E277 HydrophobicContact CB-CB 3.91Å; N272-P313 PolarHBondContact ND2-O 3.38Å
273	P	83.1	Confident	87.5	Confident	83 Å²	83	51.7 Å²	51.7	54%	0.539	25%	0.25	S	S	.	.			trans	-68.3	-25.8	-173.6	26.4	-34	0	0	0	113.2
274	S	82.9	Confident	88	Confident	53 Å²	53	51.9 Å²	51.9	37%	0.371	25%	0.251	S	S	.	.	S	Bend	trans	-76.7	133.1	173.4	176.2	0	0	0	0	110.9	N272 L276 E277 Y278	N272-S274 VanDerWaalsContact C-N 3.28Å; N272-S274 PolarHBondContact O-N 3.35Å; S274-L276 PolarHBondContact O-N 3.42Å; S274-E277 WeakPolarHBondContact CB-OE2 3.34Å; S274-E277 PolarHBondContact O-N 3.15Å; S274-E277 VanDerWaalsContact O-N 3.12Å; S274-Y278 WeakPolarHBondContact O-CB 3.26Å; S274-Y278 PolarHBondContact O-N 3.04Å
275	E	81.1	Confident	88.3	Confident	53 Å²	53	51.9 Å²	51.9	25%	0.248	25%	0.251	C	S	.	.	H	α-helix	trans	-58.2	-36.5	178.6	-171.1	179	-176.5	0	0	112.2	H279 I576 F577 R578	E275-H279 PolarHBondContact O-N 3Å; E275-H279 PolarHBondContact O-ND1 3.26Å; E275-H279 IonicContact OE1-CE1 3.28Å; E275-I576 WeakPolarHBondContact OE2-CB 3.33Å; E275-F577 HydrophobicContact CG-CB 4.06Å; E275-F577 WeakPolarHBondContact OE2-CB 3.4Å; E275-F577 PolarHBondContact OE2-N 3.44Å; E275-R578 WeakPolarHBondContact OE1-CB 3.16Å; E275-R578 PolarHBondContact OE1-N 2.88Å
276	L	79.8	Confident	88.7	Confident	95 Å²	95	51.5 Å²	51.5	50%	0.497	25%	0.249	S	C	.	.	H	α-helix	trans	-65.4	-46.6	176.3	178	62.8	0	0	0	111.6	S274 Y278 H279 I280	S274-L276 PolarHBondContact O-N 3.42Å; L276-Y278 VanDerWaalsContact C-N 3.32Å; L276-Y278 PolarHBondContact O-N 2.93Å; L276-H279 PolarHBondContact O-N 3.32Å; L276-I280 HydrophobicContact CD1-CD1 4.28Å; L276-I280 HydrophobicContact CG-CD1 4.08Å; L276-I280 VanDerWaalsContact O-CG1 3.32Å; L276-I280 WeakPolarHBondContact O-CG1 3.33Å; L276-I280 PolarHBondContact O-N 3.46Å
277	E	87	Confident	89.1	Confident	95 Å²	95	46.7 Å²	46.7	44%	0.444	23%	0.232	S	C	.	.	H	α-helix	trans	-63.5	-41.9	179.1	-66.8	177.2	154.9	0	0	110.9	N272 S274 H279 I280 A281	N272-E277 HydrophobicContact CB-CB 3.91Å; S274-E277 WeakPolarHBondContact CB-OE2 3.34Å; S274-E277 PolarHBondContact O-N 3.15Å; S274-E277 VanDerWaalsContact O-N 3.12Å; E277-H279 PolarHBondContact O-N 2.89Å; E277-I280 PolarHBondContact O-N 2.71Å; E277-A281 WeakPolarHBondContact O-CB 3.39Å; E277-A281 PolarHBondContact O-N 2.97Å
278	Y	89.5	Confident	89.4	Confident	23 Å²	23	46.4 Å²	46.4	9%	0.09	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-43.4	175.4	175.8	-115.6	0	0	0	112.3	Q265 L268 Q269 S274 L276 I280 A281 L282	Q265-Y278 HydrophobicContact CG-CE2 4.45Å; Q265-Y278 WeakPolarHBondContact CG-OH 3.49Å; Q265-Y278 PolarHBondContact NE2-OH 3.48Å; L268-Y278 HydrophobicContact CB-CD2 4.35Å; L268-Y278 HydrophobicContact CB-CE2 4.11Å; Q269-Y278 HydrophobicContact CB-CD2 3.95Å; Q269-Y278 HydrophobicContact CB-CE2 3.62Å; Q269-Y278 HydrophobicContact CG-CD2 4.38Å; Q269-Y278 HydrophobicContact CG-CE2 4.27Å; S274-Y278 WeakPolarHBondContact O-CB 3.26Å; S274-Y278 PolarHBondContact O-N 3.04Å; L276-Y278 VanDerWaalsContact C-N 3.32Å; L276-Y278 PolarHBondContact O-N 2.93Å; Y278-I280 PolarHBondContact O-N 2.9Å; Y278-A281 WeakPolarHBondContact O-CB 3.31Å; Y278-A281 PolarHBondContact O-N 2.9Å; Y278-L282 HydrophobicContact CD1-CD1 4.15Å; Y278-L282 HydrophobicContact CD2-CG 4.47Å; Y278-L282 HydrophobicContact CE1-CD1 3.6Å; Y278-L282 HydrophobicContact CE1-CG 4.47Å; Y278-L282 HydrophobicContact CE2-CD1 4.06Å; Y278-L282 HydrophobicContact CE2-CD2 4.28Å; Y278-L282 HydrophobicContact CE2-CG 4.09Å; Y278-L282 WeakPolarHBondContact O-CG 3.33Å; Y278-L282 PolarHBondContact O-N 3.3Å
279	H	86.2	Confident	89.6	Confident	44 Å²	44	46.5 Å²	46.5	20%	0.204	23%	0.231	C	C	.	.	H	α-helix	trans	-64.2	-38.9	174	-81.2	87.7	0	0	0	112.8	E275 L276 E277 A281 L282 K283 F577 R581	E275-H279 PolarHBondContact O-N 3Å; E275-H279 PolarHBondContact O-ND1 3.26Å; E275-H279 IonicContact OE1-CE1 3.28Å; L276-H279 PolarHBondContact O-N 3.32Å; E277-H279 PolarHBondContact O-N 2.89Å; H279-A281 VanDerWaalsContact C-N 3.33Å; H279-L282 PolarHBondContact O-N 2.94Å; H279-K283 WeakPolarHBondContact O-CB 3.41Å; H279-K283 PolarHBondContact O-N 3.3Å; H279-F577 AromaticContact CE1-CD1 3.78Å; H279-F577 AromaticContact ND1-CD1 3.91Å; H279-R581 PolarHBondContact CD2-NH1 3.44Å
280	I	89	Confident	89.9	Confident	75 Å²	75	41.3 Å²	41.3	39%	0.385	21%	0.207	S	C	.	.	H	α-helix	trans	-63.1	-42.7	173.7	-68.6	166.1	0	0	0	110	L276 E277 Y278 K283 N284	L276-I280 HydrophobicContact CD1-CD1 4.28Å; L276-I280 HydrophobicContact CG-CD1 4.08Å; L276-I280 VanDerWaalsContact O-CG1 3.32Å; L276-I280 WeakPolarHBondContact O-CG1 3.33Å; L276-I280 PolarHBondContact O-N 3.46Å; E277-I280 PolarHBondContact O-N 2.71Å; Y278-I280 PolarHBondContact O-N 2.9Å; I280-K283 PolarHBondContact O-N 3.47Å; I280-N284 VanDerWaalsContact O-CG 3.3Å; I280-N284 PolarHBondContact O-N 3.5Å; I280-N284 PolarHBondContact O-ND2 3.5Å
281	A	92.9	Very high	90.2	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.7	-44.4	178	0	0	0	0	0	111.9	L268 E277 Y278 H279 K283 N284 F285 R314 G315	L268-A281 HydrophobicContact CD2-CB 4.38Å; E277-A281 WeakPolarHBondContact O-CB 3.39Å; E277-A281 PolarHBondContact O-N 2.97Å; Y278-A281 WeakPolarHBondContact O-CB 3.31Å; Y278-A281 PolarHBondContact O-N 2.9Å; H279-A281 VanDerWaalsContact C-N 3.33Å; A281-K283 VanDerWaalsContact C-N 3.33Å; A281-K283 PolarHBondContact O-N 3.12Å; A281-N284 PolarHBondContact O-N 3.15Å; A281-F285 WeakPolarHBondContact O-CB 3.21Å; A281-F285 PolarHBondContact O-N 2.93Å; A281-R314 WeakPolarHBondContact CA-O 3.38Å; A281-G315 WeakPolarHBondContact O-CA 3.36Å
282	L	91.8	Very high	90.4	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-63.6	-37	174.3	-68.8	175.9	0	0	0	112.7	L268 Y278 H279 F285 R286 S354	L268-L282 HydrophobicContact CD1-CD2 3.92Å; Y278-L282 HydrophobicContact CD1-CD1 4.15Å; Y278-L282 HydrophobicContact CD2-CG 4.47Å; Y278-L282 HydrophobicContact CE1-CD1 3.6Å; Y278-L282 HydrophobicContact CE1-CG 4.47Å; Y278-L282 HydrophobicContact CE2-CD1 4.06Å; Y278-L282 HydrophobicContact CE2-CD2 4.28Å; Y278-L282 HydrophobicContact CE2-CG 4.09Å; Y278-L282 WeakPolarHBondContact O-CG 3.33Å; Y278-L282 PolarHBondContact O-N 3.3Å; H279-L282 PolarHBondContact O-N 2.94Å; L282-F285 WeakPolarHBondContact O-CB 3.32Å; L282-F285 PolarHBondContact O-N 3.45Å; L282-R286 PolarHBondContact O-N 2.7Å; L282-S354 WeakPolarHBondContact CD1-OG 3.42Å
283	K	91.2	Very high	90.6	Very high	98 Å²	98	30.8 Å²	30.8	43%	0.426	16%	0.16	S	C	.	.	H	α-helix	trans	-64.6	-47.4	173.5	-175.3	179	-180	179.1	0	111.3	H279 I280 A281 F285 R286 C287	H279-K283 WeakPolarHBondContact O-CB 3.41Å; H279-K283 PolarHBondContact O-N 3.3Å; I280-K283 PolarHBondContact O-N 3.47Å; A281-K283 VanDerWaalsContact C-N 3.33Å; A281-K283 PolarHBondContact O-N 3.12Å; K283-F285 VanDerWaalsContact C-N 3.26Å; K283-F285 PolarHBondContact O-N 3.04Å; K283-R286 PolarHBondContact O-N 3.43Å; K283-C287 PolarHBondContact O-N 3.29Å; K283-C287 PolarHBondContact O-SG 2.98Å; K283-C287 VanDerWaalsContact O-SG 3.35Å
284	N	94.7	Very high	91.2	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.016	13%	0.134	C	C	.	.	H	α-helix	trans	-58.4	-41.4	176	-71.1	-21.8	0	0	0	111.1	R220 I280 A281 C287 S288 R314 G315 H316	R220-N284 PolarHBondContact NH1-OD1 3.36Å; I280-N284 VanDerWaalsContact O-CG 3.3Å; I280-N284 PolarHBondContact O-N 3.5Å; I280-N284 PolarHBondContact O-ND2 3.5Å; A281-N284 PolarHBondContact O-N 3.15Å; N284-C287 PolarHBondContact O-N 2.83Å; N284-S288 VanDerWaalsContact O-CB 3.31Å; N284-S288 WeakPolarHBondContact O-CB 3.17Å; N284-S288 PolarHBondContact O-N 3.23Å; N284-S288 PolarHBondContact O-OG 3.28Å; N284-R314 WeakPolarHBondContact CB-O 3.34Å; N284-R314 PolarHBondContact ND2-O 2.68Å; N284-G315 CarbonylContact C-O 3.33Å; N284-H316 PolarHBondContact ND2-NE2 3.23Å
285	F	94.6	Very high	91.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60	-48.1	176	-176.9	-95.8	0	0	0	111.7	I264 L268 A281 L282 K283 S288 C289 I311 G315 L317 M348 A351 I352	I264-F285 HydrophobicContact CD1-CE2 4.34Å; I264-F285 HydrophobicContact CD1-CZ 3.95Å; I264-F285 HydrophobicContact CG2-CD2 4.4Å; I264-F285 HydrophobicContact CG2-CE2 3.97Å; I264-F285 HydrophobicContact CG2-CZ 4.11Å; L268-F285 HydrophobicContact CD1-CB 4.46Å; A281-F285 WeakPolarHBondContact O-CB 3.21Å; A281-F285 PolarHBondContact O-N 2.93Å; L282-F285 WeakPolarHBondContact O-CB 3.32Å; L282-F285 PolarHBondContact O-N 3.45Å; K283-F285 VanDerWaalsContact C-N 3.26Å; K283-F285 PolarHBondContact O-N 3.04Å; F285-S288 PolarHBondContact O-OG 3.47Å; F285-C289 WeakPolarHBondContact O-CB 3.41Å; F285-C289 PolarHBondContact O-N 3.18Å; F285-I311 HydrophobicContact CD2-CD1 4.33Å; F285-I311 HydrophobicContact CD2-CG2 4.37Å; F285-I311 HydrophobicContact CE2-CD1 3.69Å; F285-I311 HydrophobicContact CE2-CG1 4.31Å; F285-G315 WeakPolarHBondContact CA-O 2.9Å; F285-G315 VanDerWaalsContact CB-O 3.24Å; F285-G315 WeakPolarHBondContact CB-O 3.29Å; F285-G315 PolarHBondContact N-O 2.92Å; F285-L317 HydrophobicContact CD2-CB 4.2Å; F285-L317 HydrophobicContact CD2-CD1 4.42Å; F285-L317 HydrophobicContact CE2-CB 4.21Å; F285-L317 HydrophobicContact CE2-CD1 3.64Å; F285-L317 HydrophobicContact CZ-CD1 4.01Å; F285-M348 HydrophobicContact CE1-CB 4.23Å; F285-M348 HydrophobicContact CZ-CB 4.05Å; F285-M348 HydrophobicContact CZ-CG 4.01Å; F285-A351 HydrophobicContact CD1-CB 4.14Å; F285-A351 HydrophobicContact CE1-CB 3.82Å; F285-A351 HydrophobicContact CZ-CB 4.39Å; F285-I352 HydrophobicContact CD1-CG1 4.01Å; F285-I352 HydrophobicContact CE1-CD1 4.34Å; F285-I352 HydrophobicContact CE1-CG1 3.92Å
286	R	93.2	Very high	92.3	Very high	10 Å²	10	21.9 Å²	21.9	4%	0.038	11%	0.105	C	C	.	.	H	α-helix	trans	-60.6	-50	177.1	-173.5	-175.7	-52.9	137.4	9.6	112.4	L282 K283 C289 A290 I352 Y362 E365 L366	L282-R286 PolarHBondContact O-N 2.7Å; K283-R286 PolarHBondContact O-N 3.43Å; R286-C289 PolarHBondContact O-N 3.2Å; R286-A290 PolarHBondContact O-N 3.22Å; R286-I352 HydrophobicContact CB-CG1 4.49Å; R286-I352 HydrophobicContact CG-CG2 4.12Å; R286-I352 PolarHBondContact NH2-O 2.91Å; R286-Y362 VanDerWaalsContact CZ-CB 3.49Å; R286-Y362 VanDerWaalsContact CZ-CG 3.41Å; R286-E365 IonicContact CZ-OE2 3.57Å; R286-E365 IonicContact NH1-OE1 2.98Å; R286-E365 IonicContact NH1-OE2 2.83Å; R286-E365 PolarHBondContact NH1-OE2 3.49Å; R286-L366 HydrophobicContact CG-CB 4.21Å; R286-L366 HydrophobicContact CG-CD1 3.9Å; R286-L366 WeakPolarHBondContact O-CD1 3.32Å
287	C	94.9	Very high	92.9	Very high	7 Å²	7	17.9 Å²	17.9	5%	0.047	8%	0.083	C	C	.	.	H	α-helix	trans	-61.4	-49.2	-179.2	-68.1	0	0	0	0	111.6	L219 R220 K283 N284 C289 A290 G291	L219-C287 CarbonylContact O-C 3.6Å; L219-C287 VanDerWaalsContact O-O 3.11Å; R220-C287 HydrophobicContact CB-CB 3.94Å; R220-C287 HydrophobicContact CG-CB 3.56Å; K283-C287 PolarHBondContact O-N 3.29Å; K283-C287 PolarHBondContact O-SG 2.98Å; K283-C287 VanDerWaalsContact O-SG 3.35Å; N284-C287 PolarHBondContact O-N 2.83Å; C287-C289 PolarHBondContact O-N 3.2Å; C287-A290 WeakPolarHBondContact O-CB 3.47Å; C287-A290 PolarHBondContact O-N 2.85Å; C287-G291 PolarHBondContact O-N 3.14Å; C287-G291 VanDerWaalsContact O-N 3.08Å
288	S	96.7	Very high	93.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-68.5	-35.2	-179.3	56.6	0	0	0	0	112.4	L219 N284 F285 A290 G291 W292 L317	L219-S288 WeakPolarHBondContact O-CA 3.39Å; L219-S288 PolarHBondContact O-N 2.76Å; N284-S288 VanDerWaalsContact O-CB 3.31Å; N284-S288 WeakPolarHBondContact O-CB 3.17Å; N284-S288 PolarHBondContact O-N 3.23Å; N284-S288 PolarHBondContact O-OG 3.28Å; F285-S288 PolarHBondContact O-OG 3.47Å; S288-A290 VanDerWaalsContact C-N 3.35Å; S288-A290 PolarHBondContact O-N 2.67Å; S288-G291 PolarHBondContact O-N 3.08Å; S288-W292 WeakPolarHBondContact O-CB 3.2Å; S288-W292 VanDerWaalsContact O-CD1 3.28Å; S288-W292 PolarHBondContact O-N 2.81Å; S288-L317 WeakPolarHBondContact CB-O 3.35Å; S288-L317 PolarHBondContact OG-N 3.08Å
289	C	94.8	Very high	93.2	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.014	6%	0.058	C	C	.	.	H	α-helix	trans	-61	-41.9	171.1	-176.4	0	0	0	0	111.8	F285 R286 C287 S293 L366	F285-C289 WeakPolarHBondContact O-CB 3.41Å; F285-C289 PolarHBondContact O-N 3.18Å; R286-C289 PolarHBondContact O-N 3.2Å; C287-C289 PolarHBondContact O-N 3.2Å; C289-S293 VanDerWaalsContact O-CB 3.25Å; C289-S293 WeakPolarHBondContact O-CB 3.09Å; C289-S293 PolarHBondContact O-N 2.69Å; C289-S293 PolarHBondContact O-OG 3.44Å; C289-L366 HydrophobicContact CB-CD1 4.38Å
290	A	95.1	Very high	93.2	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.3	-49.3	175.5	0	0	0	0	0	112	L219 R286 C287 S288 W292 S293 V294 L366 L369	L219-A290 HydrophobicContact CD2-CB 4.39Å; R286-A290 PolarHBondContact O-N 3.22Å; C287-A290 WeakPolarHBondContact O-CB 3.47Å; C287-A290 PolarHBondContact O-N 2.85Å; S288-A290 VanDerWaalsContact C-N 3.35Å; S288-A290 PolarHBondContact O-N 2.67Å; A290-W292 PolarHBondContact O-N 3.3Å; A290-S293 PolarHBondContact O-N 3.06Å; A290-V294 PolarHBondContact O-N 2.89Å; A290-V294 VanDerWaalsContact O-N 3.09Å; A290-L366 HydrophobicContact CB-CD1 3.97Å; A290-L369 HydrophobicContact CB-CB 3.86Å
291	G	96.5	Very high	93	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-63	-43.4	-179.8	0	0	0	0	0	113.4	W212 L219 C287 S288 V294 G295	W212-G291 WeakPolarHBondContact CH2-O 3.1Å; L219-G291 VanDerWaalsContact CD1-CA 3.48Å; C287-G291 PolarHBondContact O-N 3.14Å; C287-G291 VanDerWaalsContact O-N 3.08Å; S288-G291 PolarHBondContact O-N 3.08Å; G291-V294 PolarHBondContact O-N 3.23Å; G291-G295 PolarHBondContact O-N 3.06Å
292	W	95.3	Very high	92	Very high	1 Å²	1	8.2 Å²	8.2	0%	0.004	4%	0.043	C	C	.	.	H	α-helix	trans	-70.2	-32.5	175.4	-79.8	103.8	0	0	0	113.3	L202 I205 M221 I222 S288 A290 G295 T296 L317 F318 H319 F322	L202-W292 HydrophobicContact CD2-CH2 4.26Å; I205-W292 HydrophobicContact CD1-CZ3 4.27Å; I205-W292 HydrophobicContact CG1-CH2 4.41Å; I205-W292 HydrophobicContact CG1-CZ3 4.1Å; I205-W292 HydrophobicContact CG2-CH2 4.18Å; I205-W292 HydrophobicContact CG2-CZ2 4.42Å; I205-W292 HydrophobicContact CG2-CZ3 4.44Å; M221-W292 HydrophobicContact CE-CD2 3.76Å; M221-W292 HydrophobicContact CE-CE3 4.48Å; M221-W292 HydrophobicContact CE-CG 3.79Å; M221-W292 HydrophobicContact CE-CZ2 4.29Å; M221-W292 HydrophobicContact SD-CG 4.46Å; I222-W292 WeakPolarHBondContact O-CZ2 3.43Å; S288-W292 WeakPolarHBondContact O-CB 3.2Å; S288-W292 VanDerWaalsContact O-CD1 3.28Å; S288-W292 PolarHBondContact O-N 2.81Å; A290-W292 PolarHBondContact O-N 3.3Å; W292-G295 PolarHBondContact O-N 3.35Å; W292-T296 HydrophobicContact CE3-CG2 4.1Å; W292-T296 WeakPolarHBondContact O-CB 3.5Å; W292-T296 VanDerWaalsContact O-CG2 3.31Å; W292-T296 WeakPolarHBondContact O-CG2 3.38Å; W292-T296 PolarHBondContact O-N 2.87Å; W292-T296 PolarHBondContact O-OG1 3.33Å; W292-L317 HydrophobicContact CB-CD2 4.01Å; W292-L317 HydrophobicContact CG-CD2 4.14Å; W292-L317 PolarHBondContact NE1-O 3.01Å; W292-F318 HydrophobicContact CZ2-CB 3.82Å; W292-F318 VanDerWaalsContact NE1-CA 3.3Å; W292-H319 HydrophobicContact CD2-CB 4.2Å; W292-H319 AromaticContact CD2-CD2 3.7Å; W292-H319 HydrophobicContact CE3-CB 3.69Å; W292-H319 AromaticContact CE3-CD2 3.79Å; W292-H319 AromaticContact CE3-CG 3.8Å; W292-H319 AromaticContact CG-CD2 3.64Å; W292-H319 HydrophobicContact CH2-CB 4.2Å; W292-H319 HydrophobicContact CZ3-CB 3.7Å; W292-F322 HydrophobicContact CH2-CE1 4.37Å; W292-F322 AromaticContact CH2-CZ 3.7Å; W292-F322 HydrophobicContact CH2-CZ 3.7Å; W292-F322 AromaticContact CZ3-CE1 3.86Å; W292-F322 HydrophobicContact CZ3-CE1 3.86Å; W292-F322 AromaticContact CZ3-CZ 3.66Å; W292-F322 HydrophobicContact CZ3-CZ 3.66Å
293	S	93.2	Very high	91	Very high	4 Å²	4	9.5 Å²	9.5	3%	0.028	5%	0.05	C	C	.	.	H	α-helix	trans	-61.3	-46.4	173.9	-63.4	0	0	0	0	111.2	C289 A290 T296 Y297	C289-S293 VanDerWaalsContact O-CB 3.25Å; C289-S293 WeakPolarHBondContact O-CB 3.09Å; C289-S293 PolarHBondContact O-N 2.69Å; C289-S293 PolarHBondContact O-OG 3.44Å; A290-S293 PolarHBondContact O-N 3.06Å; S293-T296 PolarHBondContact O-OG1 3.17Å; S293-Y297 VanDerWaalsContact O-CB 3.24Å; S293-Y297 WeakPolarHBondContact O-CB 3.22Å; S293-Y297 PolarHBondContact O-N 2.93Å
294	V	95.2	Very high	90.5	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-69	-46.3	176.9	176.5	0	0	0	0	111.3	W212 A290 G291 T296 Y297 V298 C370 A373 L374 F424	W212-V294 HydrophobicContact CZ2-CB 4.39Å; W212-V294 HydrophobicContact CZ2-CG1 4.1Å; A290-V294 PolarHBondContact O-N 2.89Å; A290-V294 VanDerWaalsContact O-N 3.09Å; G291-V294 PolarHBondContact O-N 3.23Å; V294-T296 PolarHBondContact O-N 3.48Å; V294-Y297 PolarHBondContact O-N 2.88Å; V294-V298 HydrophobicContact CG1-CG2 4.21Å; V294-V298 WeakPolarHBondContact O-CG2 3.34Å; V294-V298 PolarHBondContact O-N 2.85Å; V294-C370 HydrophobicContact CG2-CB 4.09Å; V294-C370 WeakPolarHBondContact CG2-O 3.08Å; V294-A373 HydrophobicContact CG1-CB 4.46Å; V294-A373 HydrophobicContact CG2-CB 4.11Å; V294-L374 HydrophobicContact CG1-CB 4.12Å; V294-L374 HydrophobicContact CG1-CD1 4.27Å; V294-F424 HydrophobicContact CG2-CE1 4.26Å; V294-F424 HydrophobicContact CG2-CZ 4.04Å
295	G	94.3	Very high	89.5	Confident	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-62.8	-44.7	-177.7	0	0	0	0	0	113.4	G291 W292 L299	G291-G295 PolarHBondContact O-N 3.06Å; W292-G295 PolarHBondContact O-N 3.35Å; G295-L299 WeakPolarHBondContact O-CB 3.44Å; G295-L299 WeakPolarHBondContact O-CG 3.46Å; G295-L299 PolarHBondContact O-N 2.88Å; G295-L299 VanDerWaalsContact O-N 3.11Å
296	T	92.1	Very high	88.8	Confident	1 Å²	1	6.7 Å²	6.7	1%	0.006	4%	0.038	C	C	.	.	H	α-helix	trans	-68.7	-36.1	177.5	54.3	0	0	0	0	112.6	W292 S293 V294 G300 V301	W292-T296 HydrophobicContact CE3-CG2 4.1Å; W292-T296 WeakPolarHBondContact O-CB 3.5Å; W292-T296 VanDerWaalsContact O-CG2 3.31Å; W292-T296 WeakPolarHBondContact O-CG2 3.38Å; W292-T296 PolarHBondContact O-N 2.87Å; W292-T296 PolarHBondContact O-OG1 3.33Å; S293-T296 PolarHBondContact O-OG1 3.17Å; V294-T296 PolarHBondContact O-N 3.48Å; T296-G300 WeakPolarHBondContact O-CA 3.36Å; T296-G300 PolarHBondContact O-N 3.43Å; T296-V301 HydrophobicContact CG2-CB 4.12Å; T296-V301 HydrophobicContact CG2-CG2 4.3Å; T296-V301 PolarHBondContact O-N 3.34Å
297	Y	92.4	Very high	88.1	Confident	11 Å²	11	7.4 Å²	7.4	4%	0.043	4%	0.043	C	C	.	.	H	α-helix	trans	-62.7	-54.6	173.7	168.6	-108.3	0	0	0	111.8	S293 V294 L299 G300 P341 L374 N410 W412 F424 M427	S293-Y297 VanDerWaalsContact O-CB 3.24Å; S293-Y297 WeakPolarHBondContact O-CB 3.22Å; S293-Y297 PolarHBondContact O-N 2.93Å; V294-Y297 PolarHBondContact O-N 2.88Å; Y297-L299 VanDerWaalsContact C-N 3.31Å; Y297-L299 PolarHBondContact O-N 3.28Å; Y297-G300 PolarHBondContact O-N 2.86Å; Y297-P341 HydrophobicContact CD2-CB 3.87Å; Y297-P341 HydrophobicContact CE2-CB 4.27Å; Y297-L374 HydrophobicContact CD1-CD1 4.42Å; Y297-L374 HydrophobicContact CE1-CD1 4.33Å; Y297-N410 HydrophobicContact CE1-CB 4.06Å; Y297-N410 WeakPolarHBondContact CE1-O 3.44Å; Y297-N410 HydrophobicContact CE2-CB 4.4Å; Y297-N410 PolarHBondContact O-ND2 3.11Å; Y297-N410 VanDerWaalsContact O-ND2 3.12Å; Y297-N410 PolarHBondContact OH-O 3.35Å; Y297-W412 VanDerWaalsContact OH-CE2 3.24Å; Y297-W412 WeakPolarHBondContact OH-CZ2 3.39Å; Y297-F424 HydrophobicContact CD1-CD2 4.16Å; Y297-F424 AromaticContact CD1-CE2 3.54Å; Y297-F424 HydrophobicContact CD1-CE2 3.54Å; Y297-F424 HydrophobicContact CE1-CD2 4.16Å; Y297-F424 HydrophobicContact CE1-CE2 4Å; Y297-F424 AromaticContact CG-CE2 3.85Å; Y297-F424 HydrophobicContact CG-CE2 3.85Å; Y297-M427 HydrophobicContact CD2-CE 4.35Å; Y297-M427 HydrophobicContact CD2-SD 3.71Å; Y297-M427 HydrophobicContact CE2-CE 3.5Å; Y297-M427 HydrophobicContact CE2-SD 3.46Å; Y297-M427 WeakPolarHBondContact CE2-SD 3.23Å; Y297-M427 HydrophobicContact CG-SD 4.46Å
298	V	92.2	Very high	87.7	Confident	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-58.5	-45.4	-177.1	169.9	0	0	0	0	110.6	M208 V294 G300 L374 I377 M407 N410 L411	M208-V298 HydrophobicContact CE-CB 4.03Å; M208-V298 HydrophobicContact CE-CG1 3.67Å; V294-V298 HydrophobicContact CG1-CG2 4.21Å; V294-V298 WeakPolarHBondContact O-CG2 3.34Å; V294-V298 PolarHBondContact O-N 2.85Å; V298-G300 VanDerWaalsContact C-N 3.3Å; V298-G300 PolarHBondContact O-N 3.45Å; V298-L374 HydrophobicContact CG2-CD1 3.84Å; V298-I377 HydrophobicContact CG1-CG2 4.31Å; V298-M407 HydrophobicContact CG1-CE 3.85Å; V298-M407 HydrophobicContact CG1-CG 4.37Å; V298-N410 PolarHBondContact O-ND2 3.24Å; V298-L411 HydrophobicContact CG1-CD2 3.86Å; V298-L411 HydrophobicContact CG1-CG 4.47Å; V298-L411 HydrophobicContact CG2-CD2 4.18Å
299	L	90.7	Very high	87.5	Confident	2 Å²	2	7.6 Å²	7.6	1%	0.01	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-3.3	-179.8	-62.5	175	0	0	0	114.1	V201 M204 I205 M208 G295 Y297 V301 L326 M407	V201-L299 HydrophobicContact CG1-CD1 3.97Å; M204-L299 HydrophobicContact CB-CD1 3.91Å; M204-L299 HydrophobicContact CB-CD2 3.94Å; M204-L299 HydrophobicContact CG-CD2 4.23Å; I205-L299 HydrophobicContact CD1-CD1 3.76Å; I205-L299 HydrophobicContact CG1-CD1 3.98Å; M208-L299 HydrophobicContact CE-CD1 4.31Å; M208-L299 HydrophobicContact CE-CD2 4.15Å; M208-L299 HydrophobicContact CE-CG 3.98Å; G295-L299 WeakPolarHBondContact O-CB 3.44Å; G295-L299 WeakPolarHBondContact O-CG 3.46Å; G295-L299 PolarHBondContact O-N 2.88Å; G295-L299 VanDerWaalsContact O-N 3.11Å; Y297-L299 VanDerWaalsContact C-N 3.31Å; Y297-L299 PolarHBondContact O-N 3.28Å; L299-V301 VanDerWaalsContact C-N 3.33Å; L299-V301 HydrophobicContact CB-CG2 3.99Å; L299-V301 PolarHBondContact O-N 2.99Å; L299-L326 WeakPolarHBondContact O-CA 3.36Å; L299-L326 WeakPolarHBondContact O-CD2 3.5Å; L299-L326 PolarHBondContact O-N 3.23Å; L299-M407 HydrophobicContact CD2-CE 3.89Å; L299-M407 HydrophobicContact CD2-SD 4.17Å
300	G	86.7	Confident	87.4	Confident	11 Å²	11	9.1 Å²	9.1	11%	0.113	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	37.2	179.5	0	0	0	0	0	114.3	T296 Y297 V298 G302 Y325 L326	T296-G300 WeakPolarHBondContact O-CA 3.36Å; T296-G300 PolarHBondContact O-N 3.43Å; Y297-G300 PolarHBondContact O-N 2.86Å; V298-G300 VanDerWaalsContact C-N 3.3Å; V298-G300 PolarHBondContact O-N 3.45Å; G300-G302 PolarHBondContact O-N 3.37Å; G300-Y325 CarbonylContact O-C 3.18Å; G300-Y325 WeakPolarHBondContact O-CA 2.83Å; G300-L326 PolarHBondContact O-N 2.99Å; G300-L326 VanDerWaalsContact O-N 3.09Å
301	V	84.2	Confident	87.4	Confident	13 Å²	13	9.1 Å²	9.1	8%	0.079	5%	0.05	C	C	.	.			trans	-69.5	116	-176.7	-178.8	0	0	0	0	109.9	V201 T296 L299 F322	V201-V301 HydrophobicContact CG1-CG2 4.38Å; T296-V301 HydrophobicContact CG2-CB 4.12Å; T296-V301 HydrophobicContact CG2-CG2 4.3Å; T296-V301 PolarHBondContact O-N 3.34Å; L299-V301 VanDerWaalsContact C-N 3.33Å; L299-V301 HydrophobicContact CB-CG2 3.99Å; L299-V301 PolarHBondContact O-N 2.99Å; V301-F322 HydrophobicContact CG1-CD1 3.76Å; V301-F322 HydrophobicContact CG1-CE1 4.37Å; V301-F322 HydrophobicContact CG2-CD1 4.27Å
302	G	72.4	Confident	87.4	Confident	8 Å²	8	9.5 Å²	9.5	8%	0.082	5%	0.053	C	C	.	.			trans	-89.1	-180	-179.8	0	0	0	0	0	113.6	G300 R304 K324 D338	G300-G302 PolarHBondContact O-N 3.37Å; G302-R304 VanDerWaalsContact C-N 3.33Å; G302-R304 VanDerWaalsContact O-CZ 3.27Å; G302-R304 PolarHBondContact O-N 3.2Å; G302-R304 PolarHBondContact O-NE 2.86Å; G302-R304 PolarHBondContact O-NH2 3.45Å; G302-K324 PolarHBondContact N-O 2.87Å; G302-D338 WeakPolarHBondContact CA-OD2 3.37Å
303	D	70.5	Confident	87.3	Confident	28 Å²	28	11.1 Å²	11.1	15%	0.15	6%	0.064	C	C	.	.			trans	54.3	42.2	173.4	-146.3	0.2	0	0	0	114.4	H305 N308 K324 D338	D303-H305 PolarHBondContact O-CD2 2.85Å; D303-H305 VanDerWaalsContact O-CD2 3.31Å; D303-H305 PolarHBondContact O-N 3.2Å; D303-H305 IonicContact OD1-CD2 3.54Å; D303-H305 PolarHBondContact OD1-CD2 3.3Å; D303-N308 PolarHBondContact O-ND2 2.86Å; D303-K324 HydrophobicContact CB-CD 4.25Å; D303-K324 IonicContact OD2-NZ 3.78Å; D303-K324 PolarHBondContact OD2-NZ 3.49Å; D303-D338 VanDerWaalsContact N-CG 3.31Å; D303-D338 PolarHBondContact N-OD1 3.35Å; D303-D338 PolarHBondContact N-OD2 2.88Å
304	R	80.1	Confident	87.3	Confident	19 Å²	19	19.1 Å²	19.1	7%	0.072	9%	0.093	C	C	.	.			trans	-81.3	96.9	178.3	-62.1	-56	87	-173.8	6.8	110.1	G302 H319 I320 D321 L343	G302-R304 VanDerWaalsContact C-N 3.33Å; G302-R304 VanDerWaalsContact O-CZ 3.27Å; G302-R304 PolarHBondContact O-N 3.2Å; G302-R304 PolarHBondContact O-NE 2.86Å; G302-R304 PolarHBondContact O-NH2 3.45Å; R304-H319 VanDerWaalsContact CD-ND1 3.35Å; R304-H319 WeakPolarHBondContact CD-ND1 3.36Å; R304-I320 PolarHBondContact NH1-O 3.49Å; R304-D321 PolarHBondContact NH1-O 3.09Å; R304-D321 VanDerWaalsContact NH1-O 3.08Å; R304-D321 PolarHBondContact NH2-O 3.5Å; R304-L343 HydrophobicContact CB-CB 4.13Å; R304-L343 HydrophobicContact CB-CD1 4.39Å
305	H	75	Confident	87.2	Confident	18 Å²	18	19.1 Å²	19.1	8%	0.083	9%	0.093	C	C	.	.			trans	-115.6	171.7	171.2	57.5	88.1	0	0	0	112.3	D303 D307 N308 F441 H444	D303-H305 PolarHBondContact O-CD2 2.85Å; D303-H305 VanDerWaalsContact O-CD2 3.31Å; D303-H305 PolarHBondContact O-N 3.2Å; D303-H305 IonicContact OD1-CD2 3.54Å; D303-H305 PolarHBondContact OD1-CD2 3.3Å; H305-D307 IonicContact CE1-OD2 2.67Å; H305-D307 WeakPolarHBondContact ND1-CB 3.48Å; H305-D307 PolarHBondContact ND1-N 3.34Å; H305-D307 IonicContact ND1-OD2 3.97Å; H305-D307 PolarHBondContact ND1-OD2 3.5Å; H305-D307 PolarHBondContact O-N 2.97Å; H305-D307 VanDerWaalsContact O-N 3.16Å; H305-N308 PolarHBondContact CD2-ND2 2.72Å; H305-N308 VanDerWaalsContact CE1-CG 3.42Å; H305-N308 PolarHBondContact CE1-ND2 3.2Å; H305-N308 PolarHBondContact CE1-OD1 2.7Å; H305-N308 PolarHBondContact NE2-ND2 3.04Å; H305-N308 PolarHBondContact O-N 3.33Å; H305-F441 HydrophobicContact CB-CD1 4.27Å; H305-H444 HydrophobicContact CB-CB 4.48Å; H305-H444 AromaticContact CD2-CE1 3.47Å; H305-H444 PolarHBondContact CD2-CE1 3.44Å; H305-H444 VanDerWaalsContact CD2-CE1 3.47Å; H305-H444 AromaticContact CD2-ND1 3.76Å; H305-H444 AromaticContact CD2-NE2 3.97Å; H305-H444 AromaticContact CG-CE1 3.84Å; H305-H444 AromaticContact CG-CG 4Å; H305-H444 AromaticContact CG-ND1 3.73Å; H305-H444 AromaticContact ND1-ND1 3.89Å; H305-H444 AromaticContact NE2-CE1 3.82Å; H305-H444 AromaticContact NE2-ND1 3.96Å
306	N	78.7	Confident	87.3	Confident	5 Å²	5	20.7 Å²	20.7	3%	0.027	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.3	-174.9	-71.9	-14.3	0	0	0	115.4	L245 R246 Q249 F441	L245-N306 HydrophobicContact CB-CB 4.13Å; L245-N306 WeakPolarHBondContact CB-O 3.14Å; L245-N306 HydrophobicContact CD2-CB 4.47Å; L245-N306 WeakPolarHBondContact CD2-OD1 3.4Å; L245-N306 HydrophobicContact CG-CB 4.23Å; L245-N306 PolarHBondContact N-O 2.76Å; L245-N306 VanDerWaalsContact N-O 3.16Å; R246-N306 HydrophobicContact CB-CB 4Å; R246-N306 PolarHBondContact N-O 2.87Å; R246-N306 VanDerWaalsContact N-O 3.14Å; Q249-N306 VanDerWaalsContact CD-ND2 3.29Å; Q249-N306 PolarHBondContact NE2-ND2 3.3Å; Q249-N306 PolarHBondContact OE1-ND2 3.42Å; N306-F441 HydrophobicContact CB-CD1 4.39Å; N306-F441 HydrophobicContact CB-CG 4.42Å; N306-F441 VanDerWaalsContact CG-CD2 3.41Å; N306-F441 VanDerWaalsContact ND2-CB 3.28Å; N306-F441 WeakPolarHBondContact ND2-CB 3.41Å; N306-F441 WeakPolarHBondContact ND2-CD2 3.27Å; N306-F441 WeakPolarHBondContact ND2-CG 3.49Å; N306-F441 WeakPolarHBondContact OD1-CD1 3.46Å; N306-F441 WeakPolarHBondContact OD1-CD2 3.42Å; N306-F441 WeakPolarHBondContact OD1-CE1 3.43Å; N306-F441 WeakPolarHBondContact OD1-CE2 3.44Å; N306-F441 VanDerWaalsContact OD1-CG 3.27Å; N306-F441 WeakPolarHBondContact OD1-CG 3.33Å; N306-F441 WeakPolarHBondContact OD1-CZ 3.36Å
307	D	79	Confident	87.4	Confident	26 Å²	26	20.7 Å²	20.7	14%	0.139	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-26.7	172.3	-48.7	-74.5	0	0	0	111.4	T244 R246 H305 V309 Q448	T244-D307 WeakPolarHBondContact CG2-O 2.98Å; R246-D307 WeakPolarHBondContact CD-OD1 3.43Å; R246-D307 IonicContact CZ-OD1 3.81Å; R246-D307 IonicContact NE-OD1 3.59Å; R246-D307 IonicContact NH1-OD1 3.24Å; R246-D307 PolarHBondContact NH1-OD1 2.99Å; H305-D307 IonicContact CE1-OD2 2.67Å; H305-D307 WeakPolarHBondContact ND1-CB 3.48Å; H305-D307 PolarHBondContact ND1-N 3.34Å; H305-D307 IonicContact ND1-OD2 3.97Å; H305-D307 PolarHBondContact ND1-OD2 3.5Å; H305-D307 PolarHBondContact O-N 2.97Å; H305-D307 VanDerWaalsContact O-N 3.16Å; D307-V309 VanDerWaalsContact C-N 3.3Å; D307-V309 PolarHBondContact O-N 3.42Å; D307-Q448 PolarHBondContact OD2-NE2 2.89Å
308	N	87.5	Confident	87.6	Confident	10 Å²	10	20.3 Å²	20.3	5%	0.053	10%	0.099	C	C	.	.	S	Bend	trans	-91.1	9.5	-176	-67.2	-2.3	0	0	0	113.4	D303 H305 H319 I320	D303-N308 PolarHBondContact O-ND2 2.86Å; H305-N308 PolarHBondContact CD2-ND2 2.72Å; H305-N308 VanDerWaalsContact CE1-CG 3.42Å; H305-N308 PolarHBondContact CE1-ND2 3.2Å; H305-N308 PolarHBondContact CE1-OD1 2.7Å; H305-N308 PolarHBondContact NE2-ND2 3.04Å; H305-N308 PolarHBondContact O-N 3.33Å; N308-H319 WeakPolarHBondContact O-CA 3.27Å; N308-I320 PolarHBondContact O-N 3.28Å
309	V	90.8	Very high	87.6	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.6	177.6	-179.4	0	0	0	0	108.8	T244 L245 D307 L317 L343 M348	T244-V309 CarbonylContact C-O 3.55Å; T244-V309 WeakPolarHBondContact CA-O 3.49Å; L245-V309 PolarHBondContact N-O 3.11Å; D307-V309 VanDerWaalsContact C-N 3.3Å; D307-V309 PolarHBondContact O-N 3.42Å; V309-L317 HydrophobicContact CG1-CD1 3.93Å; V309-L317 HydrophobicContact CG1-CD2 4.22Å; V309-L317 HydrophobicContact CG1-CG 3.87Å; V309-L343 HydrophobicContact CB-CD2 4.44Å; V309-L343 HydrophobicContact CG2-CD2 3.54Å; V309-M348 HydrophobicContact CG1-CE 4.22Å
310	M	93.4	Very high	87.6	Confident	34 Å²	34	22.2 Å²	22.2	17%	0.167	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	151.5	-178.7	-62.8	-170.7	83.7	0	0	111.1	A242 K243 T244 L317 F318 I320	A242-M310 HydrophobicContact CB-CB 4.42Å; A242-M310 HydrophobicContact CB-CE 3.72Å; A242-M310 HydrophobicContact CB-SD 4.5Å; K243-M310 CarbonylContact O-C 3.47Å; K243-M310 VanDerWaalsContact O-CA 3.23Å; K243-M310 WeakPolarHBondContact O-CA 3.45Å; T244-M310 HydrophobicContact CG2-CE 4.34Å; T244-M310 HydrophobicContact CG2-CG 4.08Å; M310-L317 WeakPolarHBondContact O-CA 3.5Å; M310-F318 HydrophobicContact CB-CD1 4.15Å; M310-F318 HydrophobicContact CB-CD2 4.33Å; M310-F318 HydrophobicContact CB-CE1 3.57Å; M310-F318 HydrophobicContact CB-CE2 3.78Å; M310-F318 HydrophobicContact CB-CG 4.49Å; M310-F318 HydrophobicContact CB-CZ 3.36Å; M310-F318 HydrophobicContact CE-CZ 4.48Å; M310-F318 HydrophobicContact CG-CE2 4.19Å; M310-F318 HydrophobicContact CG-CZ 4.06Å; M310-F318 PolarHBondContact N-O 2.69Å; M310-F318 PolarHBondContact O-N 3.33Å; M310-F318 HydrophobicContact SD-CE2 3.77Å; M310-F318 HydrophobicContact SD-CZ 3.65Å; M310-I320 HydrophobicContact CG-CD1 4Å; M310-I320 HydrophobicContact CG-CG1 4.33Å; M310-I320 HydrophobicContact CG-CG2 4.26Å; M310-I320 HydrophobicContact SD-CD1 3.83Å; M310-I320 HydrophobicContact SD-CG2 3.9Å
311	I	95.4	Very high	87.5	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.6	176.2	-50.8	175.4	0	0	0	108.7	A242 K243 L245 I248 I264 W267 L268 F285 H316	A242-I311 WeakPolarHBondContact CA-O 3.38Å; K243-I311 PolarHBondContact N-O 3.2Å; K243-I311 PolarHBondContact O-N 2.74Å; L245-I311 HydrophobicContact CD1-CD1 4.25Å; I248-I311 HydrophobicContact CD1-CB 3.92Å; I248-I311 HydrophobicContact CD1-CD1 3.92Å; I248-I311 HydrophobicContact CD1-CG1 4.18Å; I264-I311 HydrophobicContact CD1-CD1 4.23Å; I264-I311 HydrophobicContact CG1-CD1 3.93Å; I264-I311 HydrophobicContact CG2-CD1 4.05Å; W267-I311 HydrophobicContact CE3-CG2 4.49Å; W267-I311 HydrophobicContact CH2-CG2 4.48Å; W267-I311 WeakPolarHBondContact CH2-O 3.38Å; W267-I311 HydrophobicContact CZ3-CB 4.08Å; W267-I311 HydrophobicContact CZ3-CG2 3.72Å; L268-I311 HydrophobicContact CD2-CG2 4.24Å; F285-I311 HydrophobicContact CD2-CD1 4.33Å; F285-I311 HydrophobicContact CD2-CG2 4.37Å; F285-I311 HydrophobicContact CE2-CD1 3.69Å; F285-I311 HydrophobicContact CE2-CG1 4.31Å; I311-H316 WeakPolarHBondContact CA-O 3.42Å
312	T	95.4	Very high	87.5	Confident	9 Å²	9	24.5 Å²	24.5	6%	0.055	12%	0.118	C	C	.	.			trans	-82.9	158.5	172.9	64.4	0	0	0	0	111.7	I222 V239 A242 W267 R314 G315 H316 F318	I222-T312 HydrophobicContact CD1-CG2 3.45Å; I222-T312 VanDerWaalsContact CD1-CG2 3.45Å; V239-T312 HydrophobicContact CG1-CG2 3.72Å; A242-T312 HydrophobicContact CB-CG2 4.22Å; W267-T312 WeakPolarHBondContact CZ3-O 3.34Å; T312-R314 PolarHBondContact O-N 3.43Å; T312-R314 VanDerWaalsContact O-N 3.1Å; T312-G315 WeakPolarHBondContact O-CA 3.22Å; T312-G315 PolarHBondContact O-N 3.48Å; T312-H316 HydrophobicContact CG2-CB 4.3Å; T312-H316 PolarHBondContact N-O 3.19Å; T312-H316 WeakPolarHBondContact OG1-CB 3.48Å; T312-H316 PolarHBondContact OG1-N 2.99Å; T312-H316 PolarHBondContact OG1-O 3.41Å; T312-F318 HydrophobicContact CG2-CD1 4.36Å; T312-F318 HydrophobicContact CG2-CE1 3.87Å
313	P	93.6	Very high	87.3	Confident	35 Å²	35	26 Å²	26	23%	0.227	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-27	177.5	-25.2	36.4	0	0	0	113	G241 Q271 N272 G315	G241-P313 VanDerWaalsContact O-CD 3.27Å; G241-P313 WeakPolarHBondContact O-CD 3.32Å; G241-P313 WeakPolarHBondContact O-CG 3.3Å; Q271-P313 HydrophobicContact CB-CB 4.14Å; Q271-P313 HydrophobicContact CG-CB 4.21Å; N272-P313 PolarHBondContact ND2-O 3.38Å; P313-G315 PolarHBondContact O-N 3.37Å
314	R	93.5	Very high	87.2	Confident	172 Å²	172	26.6 Å²	26.6	65%	0.649	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	7.1	175.4	-58	-172.6	74.4	174.9	3.9	113.8	A281 N284 T312	A281-R314 WeakPolarHBondContact CA-O 3.38Å; N284-R314 WeakPolarHBondContact CB-O 3.34Å; N284-R314 PolarHBondContact ND2-O 2.68Å; T312-R314 PolarHBondContact O-N 3.43Å; T312-R314 VanDerWaalsContact O-N 3.1Å
315	G	93.5	Very high	86.8	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.			trans	87.5	-0.9	174.3	0	0	0	0	0	116.5	A281 N284 F285 T312 P313 L317	A281-G315 WeakPolarHBondContact O-CA 3.36Å; N284-G315 CarbonylContact C-O 3.33Å; F285-G315 WeakPolarHBondContact CA-O 2.9Å; F285-G315 VanDerWaalsContact CB-O 3.24Å; F285-G315 WeakPolarHBondContact CB-O 3.29Å; F285-G315 PolarHBondContact N-O 2.92Å; T312-G315 WeakPolarHBondContact O-CA 3.22Å; T312-G315 PolarHBondContact O-N 3.48Å; P313-G315 PolarHBondContact O-N 3.37Å; G315-L317 PolarHBondContact O-N 3.03Å
316	H	96	Very high	86.4	Confident	32 Å²	32	25.2 Å²	25.2	15%	0.148	13%	0.128	C	C	.	.			trans	-70.4	122.7	176.5	-56.9	-93.4	0	0	0	111.1	R220 I222 N284 I311 T312	R220-H316 PolarHBondContact O-ND1 2.87Å; I222-H316 HydrophobicContact CD1-CB 3.35Å; I222-H316 HydrophobicContact CG1-CB 3.82Å; N284-H316 PolarHBondContact ND2-NE2 3.23Å; I311-H316 WeakPolarHBondContact CA-O 3.42Å; T312-H316 HydrophobicContact CG2-CB 4.3Å; T312-H316 PolarHBondContact N-O 3.19Å; T312-H316 WeakPolarHBondContact OG1-CB 3.48Å; T312-H316 PolarHBondContact OG1-N 2.99Å; T312-H316 PolarHBondContact OG1-O 3.41Å
317	L	95.4	Very high	85.4	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	138.3	170.5	179.4	149.5	0	0	0	109.7	F285 S288 W292 V309 M310 G315 M348	F285-L317 HydrophobicContact CD2-CB 4.2Å; F285-L317 HydrophobicContact CD2-CD1 4.42Å; F285-L317 HydrophobicContact CE2-CB 4.21Å; F285-L317 HydrophobicContact CE2-CD1 3.64Å; F285-L317 HydrophobicContact CZ-CD1 4.01Å; S288-L317 WeakPolarHBondContact CB-O 3.35Å; S288-L317 PolarHBondContact OG-N 3.08Å; W292-L317 HydrophobicContact CB-CD2 4.01Å; W292-L317 HydrophobicContact CG-CD2 4.14Å; W292-L317 PolarHBondContact NE1-O 3.01Å; V309-L317 HydrophobicContact CG1-CD1 3.93Å; V309-L317 HydrophobicContact CG1-CD2 4.22Å; V309-L317 HydrophobicContact CG1-CG 3.87Å; M310-L317 WeakPolarHBondContact O-CA 3.5Å; G315-L317 PolarHBondContact O-N 3.03Å; L317-M348 HydrophobicContact CD1-CE 3.86Å
318	F	95.6	Very high	84.4	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.009	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	153.4	171.2	65.8	-78.9	0	0	0	112.5	I222 Y224 V239 A242 W292 M310 T312 I320	I222-F318 HydrophobicContact CB-CB 4.19Å; I222-F318 HydrophobicContact CB-CD1 4.32Å; I222-F318 HydrophobicContact CB-CG 4.3Å; I222-F318 HydrophobicContact CD1-CD1 4.37Å; I222-F318 HydrophobicContact CG2-CD1 4.34Å; I222-F318 HydrophobicContact CG2-CG 4.28Å; Y224-F318 HydrophobicContact CD1-CD2 4.14Å; Y224-F318 HydrophobicContact CD1-CE2 4.39Å; Y224-F318 HydrophobicContact CE1-CD2 4.29Å; V239-F318 HydrophobicContact CB-CE1 4.19Å; V239-F318 HydrophobicContact CB-CE2 4.28Å; V239-F318 HydrophobicContact CB-CZ 3.64Å; V239-F318 HydrophobicContact CG1-CE1 3.92Å; V239-F318 HydrophobicContact CG1-CZ 3.91Å; V239-F318 HydrophobicContact CG2-CE1 4.38Å; V239-F318 HydrophobicContact CG2-CE2 3.87Å; V239-F318 HydrophobicContact CG2-CZ 3.72Å; A242-F318 HydrophobicContact CB-CE1 3.71Å; A242-F318 HydrophobicContact CB-CZ 3.64Å; W292-F318 HydrophobicContact CZ2-CB 3.82Å; W292-F318 VanDerWaalsContact NE1-CA 3.3Å; M310-F318 HydrophobicContact CB-CD1 4.15Å; M310-F318 HydrophobicContact CB-CD2 4.33Å; M310-F318 HydrophobicContact CB-CE1 3.57Å; M310-F318 HydrophobicContact CB-CE2 3.78Å; M310-F318 HydrophobicContact CB-CG 4.49Å; M310-F318 HydrophobicContact CB-CZ 3.36Å; M310-F318 HydrophobicContact CE-CZ 4.48Å; M310-F318 HydrophobicContact CG-CE2 4.19Å; M310-F318 HydrophobicContact CG-CZ 4.06Å; M310-F318 PolarHBondContact N-O 2.69Å; M310-F318 PolarHBondContact O-N 3.33Å; M310-F318 HydrophobicContact SD-CE2 3.77Å; M310-F318 HydrophobicContact SD-CZ 3.65Å; T312-F318 HydrophobicContact CG2-CD1 4.36Å; T312-F318 HydrophobicContact CG2-CE1 3.87Å; F318-I320 HydrophobicContact CD2-CG2 3.89Å; F318-I320 HydrophobicContact CE2-CG2 3.63Å
319	H	93	Very high	82.7	Confident	4 Å²	4	29.8 Å²	29.8	2%	0.019	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	148.5	179.6	-68.8	-131.9	0	0	0	109.6	Y224 W292 R304 N308 F322	Y224-H319 WeakPolarHBondContact CE1-O 3.45Å; W292-H319 HydrophobicContact CD2-CB 4.2Å; W292-H319 AromaticContact CD2-CD2 3.7Å; W292-H319 HydrophobicContact CE3-CB 3.69Å; W292-H319 AromaticContact CE3-CD2 3.79Å; W292-H319 AromaticContact CE3-CG 3.8Å; W292-H319 AromaticContact CG-CD2 3.64Å; W292-H319 HydrophobicContact CH2-CB 4.2Å; W292-H319 HydrophobicContact CZ3-CB 3.7Å; R304-H319 VanDerWaalsContact CD-ND1 3.35Å; R304-H319 WeakPolarHBondContact CD-ND1 3.36Å; N308-H319 WeakPolarHBondContact O-CA 3.27Å; H319-F322 HydrophobicContact CB-CE1 3.9Å; H319-F322 HydrophobicContact CB-CZ 4.07Å; H319-F322 WeakPolarHBondContact O-CZ 3.44Å
320	I	90.5	Very high	80.6	Confident	39 Å²	39	34.2 Å²	34.2	20%	0.2	18%	0.184	C	C	.	.			trans	-128.6	171	173.9	61.5	167.3	0	0	0	109.7	Y224 R304 N308 M310 F318	Y224-I320 HydrophobicContact CE1-CG2 3.88Å; Y224-I320 WeakPolarHBondContact OH-CA 3.22Å; R304-I320 PolarHBondContact NH1-O 3.49Å; N308-I320 PolarHBondContact O-N 3.28Å; M310-I320 HydrophobicContact CG-CD1 4Å; M310-I320 HydrophobicContact CG-CG1 4.33Å; M310-I320 HydrophobicContact CG-CG2 4.26Å; M310-I320 HydrophobicContact SD-CD1 3.83Å; M310-I320 HydrophobicContact SD-CG2 3.9Å; F318-I320 HydrophobicContact CD2-CG2 3.89Å; F318-I320 HydrophobicContact CE2-CG2 3.63Å
321	D	83.6	Confident	77.9	Confident	72 Å²	72	37.7 Å²	37.7	39%	0.385	20%	0.201	S	C	.	.			trans	53.1	90.9	176.9	-174.1	-4.5	0	0	0	112.3	R304 G323	R304-D321 PolarHBondContact NH1-O 3.09Å; R304-D321 VanDerWaalsContact NH1-O 3.08Å; R304-D321 PolarHBondContact NH2-O 3.5Å; D321-G323 PolarHBondContact OD1-N 3.02Å
322	F	83.9	Confident	74.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.233	C	C	.	.			trans	-99.9	26.6	-178	-56.3	-73.1	0	0	0	112.4	Q197 D198 V201 L202 Y224 W292 V301 H319 K324	Q197-F322 PolarHBondContact NE2-O 3.46Å; D198-F322 HydrophobicContact CB-CD2 4.19Å; D198-F322 PolarHBondContact OD1-N 3.19Å; V201-F322 HydrophobicContact CB-CB 4.13Å; V201-F322 HydrophobicContact CB-CD1 4.44Å; V201-F322 HydrophobicContact CB-CD2 4.24Å; V201-F322 HydrophobicContact CB-CG 4.01Å; V201-F322 HydrophobicContact CG1-CB 4.18Å; V201-F322 HydrophobicContact CG1-CD1 3.6Å; V201-F322 HydrophobicContact CG1-CD2 4.01Å; V201-F322 HydrophobicContact CG1-CE1 3.94Å; V201-F322 HydrophobicContact CG1-CE2 4.31Å; V201-F322 HydrophobicContact CG1-CG 3.64Å; V201-F322 HydrophobicContact CG1-CZ 4.28Å; V201-F322 HydrophobicContact CG2-CB 4.05Å; V201-F322 HydrophobicContact CG2-CG 4.41Å; L202-F322 HydrophobicContact CD1-CE2 4.36Å; L202-F322 HydrophobicContact CD2-CE2 3.72Å; L202-F322 HydrophobicContact CD2-CZ 4.19Å; L202-F322 HydrophobicContact CG-CD2 4.37Å; L202-F322 HydrophobicContact CG-CE2 3.82Å; Y224-F322 HydrophobicContact CE1-CE2 4.46Å; Y224-F322 WeakPolarHBondContact OH-CE2 3.49Å; W292-F322 HydrophobicContact CH2-CE1 4.37Å; W292-F322 AromaticContact CH2-CZ 3.7Å; W292-F322 HydrophobicContact CH2-CZ 3.7Å; W292-F322 AromaticContact CZ3-CE1 3.86Å; W292-F322 HydrophobicContact CZ3-CE1 3.86Å; W292-F322 AromaticContact CZ3-CZ 3.66Å; W292-F322 HydrophobicContact CZ3-CZ 3.66Å; V301-F322 HydrophobicContact CG1-CD1 3.76Å; V301-F322 HydrophobicContact CG1-CE1 4.37Å; V301-F322 HydrophobicContact CG2-CD1 4.27Å; H319-F322 HydrophobicContact CB-CE1 3.9Å; H319-F322 HydrophobicContact CB-CZ 4.07Å; H319-F322 WeakPolarHBondContact O-CZ 3.44Å; F322-K324 PolarHBondContact O-N 3.45Å
323	G	68.8	Low	71.9	Confident	38 Å²	38	48 Å²	48	39%	0.392	26%	0.264	S	S	.	.	S	Bend	trans	-56.6	-9.3	-176	0	0	0	0	0	116	Q197 D321	Q197-G323 PolarHBondContact NE2-O 2.91Å; D321-G323 PolarHBondContact OD1-N 3.02Å
324	K	68.8	Low	68.8	Low	41 Å²	41	51.2 Å²	51.2	18%	0.178	29%	0.287	C	S	.	.	S	Bend	trans	-136.4	126.4	168.1	-58.9	178.7	-166.4	142.8	0	111.2	G302 D303 F322 Q330	G302-K324 PolarHBondContact N-O 2.87Å; D303-K324 HydrophobicContact CB-CD 4.25Å; D303-K324 IonicContact OD2-NZ 3.78Å; D303-K324 PolarHBondContact OD2-NZ 3.49Å; F322-K324 PolarHBondContact O-N 3.45Å; K324-Q330 HydrophobicContact CD-CG 4.25Å; K324-Q330 VanDerWaalsContact NZ-NE2 3.12Å
325	Y	71.5	Confident	66	Low	3 Å²	3	49 Å²	49	1%	0.012	28%	0.283	C	S	.	.			trans	-151.6	170.4	-176.4	75.8	-45.1	0	0	0	112.2	Q197 L200 V201 G300 G327 D328 P397	Q197-Y325 HydrophobicContact CB-CE1 4.34Å; Q197-Y325 VanDerWaalsContact CD-CD1 3.45Å; Q197-Y325 HydrophobicContact CG-CD1 3.66Å; Q197-Y325 HydrophobicContact CG-CE1 3.38Å; Q197-Y325 HydrophobicContact CG-CE2 4.5Å; Q197-Y325 HydrophobicContact CG-CG 4.32Å; L200-Y325 HydrophobicContact CD2-CE2 4.14Å; V201-Y325 HydrophobicContact CG2-CD2 3.45Å; V201-Y325 VanDerWaalsContact CG2-CD2 3.45Å; V201-Y325 HydrophobicContact CG2-CE2 3.99Å; V201-Y325 HydrophobicContact CG2-CG 4.04Å; G300-Y325 CarbonylContact O-C 3.18Å; G300-Y325 WeakPolarHBondContact O-CA 2.83Å; Y325-G327 PolarHBondContact O-N 3.21Å; Y325-G327 VanDerWaalsContact O-N 3.08Å; Y325-D328 WeakPolarHBondContact O-CB 3.4Å; Y325-D328 PolarHBondContact O-N 2.89Å; Y325-D328 VanDerWaalsContact O-N 3.15Å; Y325-P397 WeakPolarHBondContact CE1-O 3.38Å; Y325-P397 PolarHBondContact OH-O 2.71Å
326	L	65.7	Low	63.8	Low	5 Å²	5	54 Å²	54	3%	0.026	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	30.3	175.3	-56.1	165.9	0	0	0	116	L299 G300 M388 L399 M407	L299-L326 WeakPolarHBondContact O-CA 3.36Å; L299-L326 WeakPolarHBondContact O-CD2 3.5Å; L299-L326 PolarHBondContact O-N 3.23Å; G300-L326 PolarHBondContact O-N 2.99Å; G300-L326 VanDerWaalsContact O-N 3.09Å; L326-M388 HydrophobicContact CD1-CE 3.39Å; L326-M388 HydrophobicContact CD2-CE 3.85Å; L326-M388 HydrophobicContact CG-CE 4.22Å; L326-L399 HydrophobicContact CD1-CD1 3.65Å; L326-M407 HydrophobicContact CD2-CB 3.95Å
327	G	58.4	Low	61.3	Low	27 Å²	27	56.9 Å²	56.9	28%	0.278	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.3	6.4	176.5	0	0	0	0	0	115.6	Y325 A329	Y325-G327 PolarHBondContact O-N 3.21Å; Y325-G327 VanDerWaalsContact O-N 3.08Å; G327-A329 PolarHBondContact O-N 3.42Å
328	D	58.3	Low	59.3	Low	87 Å²	87	58.7 Å²	58.7	47%	0.465	32%	0.324	S	S	.	.			trans	-66.4	36.1	166.6	-85.7	-11.3	0	0	0	113.2	Y325 Q330 G398	Y325-D328 WeakPolarHBondContact O-CB 3.4Å; Y325-D328 PolarHBondContact O-N 2.89Å; Y325-D328 VanDerWaalsContact O-N 3.15Å; D328-Q330 PolarHBondContact O-N 3.02Å; D328-G398 WeakPolarHBondContact OD2-CA 3.33Å
329	A	52	Low	57.4	Low	24 Å²	24	64.8 Å²	64.8	20%	0.198	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-64.1	125.3	-179.4	0	0	0	0	0	109.8	G327 M331 K336 D338	G327-A329 PolarHBondContact O-N 3.42Å; A329-M331 PolarHBondContact O-N 3.37Å; A329-M331 VanDerWaalsContact O-N 3.13Å; A329-K336 HydrophobicContact CB-CD 4.4Å; A329-K336 HydrophobicContact CB-CG 4.44Å; A329-D338 HydrophobicContact CB-CB 4.48Å
330	Q	46.6	Very low	55.8	Low	93 Å²	93	66.4 Å²	66.4	44%	0.435	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-60.1	121.8	171.6	-80.9	-177.1	-14.4	0	0	109.7	K324 D328 R337	K324-Q330 HydrophobicContact CD-CG 4.25Å; K324-Q330 VanDerWaalsContact NZ-NE2 3.12Å; D328-Q330 PolarHBondContact O-N 3.02Å; Q330-R337 VanDerWaalsContact O-CB 3.29Å; Q330-R337 WeakPolarHBondContact O-CB 3.45Å; Q330-R337 PolarHBondContact O-N 3.49Å
331	M	36	Very low	54.6	Low	107 Å²	107	66.7 Å²	66.7	53%	0.527	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	124.9	167.6	-64.9	-68.1	-74.4	0	0	107.9	A329 S334 K336	A329-M331 PolarHBondContact O-N 3.37Å; A329-M331 VanDerWaalsContact O-N 3.13Å; M331-S334 WeakPolarHBondContact CE-O 3.41Å; M331-K336 HydrophobicContact SD-CB 4.4Å; M331-K336 HydrophobicContact SD-CG 3.54Å; M331-K336 VanDerWaalsContact SD-CG 3.54Å
332	F	29.5	Very low	54.2	Low	157 Å²	157	63.5 Å²	63.5	69%	0.689	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	96.9	165.7	-152.5	-87.7	0	0	0	107.1	S334 F335	F332-S334 PolarHBondContact O-N 3.47Å; F332-F335 PolarHBondContact N-O 3.3Å; F332-F335 PolarHBondContact O-N 3.45Å
333	G	36.2	Very low	54	Low	67 Å²	67	63.6 Å²	63.6	69%	0.691	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	-130.4	-164.4	0	0	0	0	0	111	F335	G333-F335 VanDerWaalsContact C-N 3.28Å; G333-F335 PolarHBondContact O-N 2.92Å
334	S	28.3	Very low	54.7	Low	103 Å²	103	61.9 Å²	61.9	72%	0.72	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-0.8	179.5	-21	0	0	0	0	114.2	M331 F332	M331-S334 WeakPolarHBondContact CE-O 3.41Å; F332-S334 PolarHBondContact O-N 3.47Å
335	F	33.7	Very low	55.3	Low	127 Å²	127	60.2 Å²	60.2	56%	0.557	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.4	-170.8	-58.2	-81.7	0	0	0	111.7	F332 G333 R337	F332-F335 PolarHBondContact N-O 3.3Å; F332-F335 PolarHBondContact O-N 3.45Å; G333-F335 VanDerWaalsContact C-N 3.28Å; G333-F335 PolarHBondContact O-N 2.92Å; F335-R337 PolarHBondContact O-N 3.23Å
336	K	49	Very low	55.6	Low	105 Å²	105	63.3 Å²	63.3	46%	0.457	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	127.1	168.1	-69.5	-174.8	177	-171.9	0	109.5	A329 M331 D338 R339	A329-K336 HydrophobicContact CB-CD 4.4Å; A329-K336 HydrophobicContact CB-CG 4.44Å; M331-K336 HydrophobicContact SD-CB 4.4Å; M331-K336 HydrophobicContact SD-CG 3.54Å; M331-K336 VanDerWaalsContact SD-CG 3.54Å; K336-D338 VanDerWaalsContact C-N 3.33Å; K336-R339 WeakPolarHBondContact O-CG 3.45Å
337	R	42.6	Very low	56.2	Low	91 Å²	91	63.3 Å²	63.3	34%	0.343	34%	0.336	S	S	.	.	S	Bend	trans	-68.4	-35.5	177	-168.9	176.1	169.3	171.9	-5.8	111.1	Q330 F335 R339 H444	Q330-R337 VanDerWaalsContact O-CB 3.29Å; Q330-R337 WeakPolarHBondContact O-CB 3.45Å; Q330-R337 PolarHBondContact O-N 3.49Å; F335-R337 PolarHBondContact O-N 3.23Å; R337-R339 PolarHBondContact O-N 3.37Å; R337-H444 PolarHBondContact NH2-NE2 2.82Å
338	D	53.6	Low	57.6	Low	40 Å²	40	62.1 Å²	62.1	21%	0.214	32%	0.323	C	S	.	.			trans	-83.4	88.8	172.9	-66	-36.8	0	0	0	110.3	G302 D303 A329 K336	G302-D338 WeakPolarHBondContact CA-OD2 3.37Å; D303-D338 VanDerWaalsContact N-CG 3.31Å; D303-D338 PolarHBondContact N-OD1 3.35Å; D303-D338 PolarHBondContact N-OD2 2.88Å; A329-D338 HydrophobicContact CB-CB 4.48Å; K336-D338 VanDerWaalsContact C-N 3.33Å
339	R	56.5	Low	58.8	Low	131 Å²	131	59.6 Å²	59.6	49%	0.494	31%	0.31	S	S	.	.			trans	-93.1	-11.6	-178.6	-62.4	-171.6	-178.2	-169.2	1	114	K336 R337	K336-R339 WeakPolarHBondContact O-CG 3.45Å; R337-R339 PolarHBondContact O-N 3.37Å
340	V	57.6	Low	60.3	Low	37 Å²	37	61.5 Å²	61.5	22%	0.224	31%	0.312	C	S	.	.	S	Bend	trans	-104.8	138.9	176.2	-66.4	0	0	0	0	109.8	F342 T431 P437	V340-F342 VanDerWaalsContact C-N 3.3Å; V340-F342 PolarHBondContact O-N 2.99Å; V340-T431 HydrophobicContact CB-CG2 4.24Å; V340-T431 HydrophobicContact CG1-CG2 4.34Å; V340-P437 HydrophobicContact CB-CG 4.44Å; V340-P437 HydrophobicContact CG1-CG 3.83Å; V340-P437 HydrophobicContact CG2-CG 3.92Å
341	P	65.4	Low	62.2	Low	45 Å²	45	57.1 Å²	57.1	29%	0.292	29%	0.291	S	S	.	.	S	Bend	trans	-72.4	-24	-174.1	24	-29.1	0	0	0	113.5	Y297 M427 T431	Y297-P341 HydrophobicContact CD2-CB 3.87Å; Y297-P341 HydrophobicContact CE2-CB 4.27Å; P341-M427 HydrophobicContact CB-CE 4.34Å; P341-M427 HydrophobicContact CB-CG 3.95Å; P341-M427 HydrophobicContact CB-SD 3.43Å; P341-M427 WeakPolarHBondContact CB-SD 3.49Å; P341-M427 HydrophobicContact CG-CE 4.49Å; P341-M427 HydrophobicContact CG-CG 3.2Å; P341-M427 HydrophobicContact CG-SD 3.42Å; P341-M427 WeakPolarHBondContact CG-SD 3.48Å; P341-T431 WeakPolarHBondContact CD-OG1 3.31Å
342	F	75.7	Confident	64.6	Low	5 Å²	5	52 Å²	52	2%	0.022	27%	0.266	C	S	.	.	S	Bend	trans	-158.1	171.4	172.7	53.6	-90.8	0	0	0	109.3	V340 L344 F424 M427 I428 T431	V340-F342 VanDerWaalsContact C-N 3.3Å; V340-F342 PolarHBondContact O-N 2.99Å; F342-L344 HydrophobicContact CD2-CB 4.14Å; F342-L344 HydrophobicContact CE2-CB 3.87Å; F342-L344 HydrophobicContact CE2-CD2 4.39Å; F342-L344 PolarHBondContact O-N 2.67Å; F342-F424 HydrophobicContact CD1-CE2 4.47Å; F342-F424 HydrophobicContact CD1-CZ 4.18Å; F342-F424 HydrophobicContact CE1-CE1 4.3Å; F342-F424 HydrophobicContact CE1-CE2 4.07Å; F342-F424 AromaticContact CE1-CZ 3.72Å; F342-F424 HydrophobicContact CE1-CZ 3.72Å; F342-F424 HydrophobicContact CZ-CE1 4.39Å; F342-F424 HydrophobicContact CZ-CZ 4.19Å; F342-M427 HydrophobicContact CD1-SD 4.34Å; F342-M427 HydrophobicContact CE1-CG 3.92Å; F342-M427 HydrophobicContact CE1-SD 3.91Å; F342-I428 HydrophobicContact CE1-CG1 4.48Å; F342-I428 HydrophobicContact CE2-CG1 4.25Å; F342-I428 HydrophobicContact CZ-CB 4.24Å; F342-I428 HydrophobicContact CZ-CG1 3.55Å; F342-T431 HydrophobicContact CE2-CG2 4.36Å; F342-T431 WeakPolarHBondContact O-CG2 3.4Å
343	L	80.4	Confident	67	Low	3 Å²	3	45.5 Å²	45.5	2%	0.016	24%	0.239	C	C	.	.			trans	-90.3	106.5	-178.3	-167.4	74.1	0	0	0	111.8	R304 V309 T345 M348 P437 F441	R304-L343 HydrophobicContact CB-CB 4.13Å; R304-L343 HydrophobicContact CB-CD1 4.39Å; V309-L343 HydrophobicContact CB-CD2 4.44Å; V309-L343 HydrophobicContact CG2-CD2 3.54Å; L343-T345 HydrophobicContact CD1-CG2 4.11Å; L343-T345 HydrophobicContact CG-CG2 4.4Å; L343-M348 HydrophobicContact CD2-CE 3.66Å; L343-M348 HydrophobicContact CG-CE 4.24Å; L343-M348 HydrophobicContact CG-SD 4.49Å; L343-P437 HydrophobicContact CD1-CB 4.15Å; L343-F441 HydrophobicContact CD1-CE1 3.65Å; L343-F441 HydrophobicContact CD1-CE2 4.44Å; L343-F441 HydrophobicContact CD1-CZ 3.29Å; L343-F441 HydrophobicContact CD2-CE1 4.43Å; L343-F441 HydrophobicContact CD2-CZ 3.92Å; L343-F441 HydrophobicContact CG-CZ 4.04Å
344	L	82.9	Confident	68.7	Low	2 Å²	2	43.2 Å²	43.2	1%	0.01	21%	0.212	C	C	.	.			trans	-139.1	113.4	166.5	-174.2	68.8	0	0	0	108.9	F342 M348 I352 L366 I428 T431 L432	F342-L344 HydrophobicContact CD2-CB 4.14Å; F342-L344 HydrophobicContact CE2-CB 3.87Å; F342-L344 HydrophobicContact CE2-CD2 4.39Å; F342-L344 PolarHBondContact O-N 2.67Å; L344-M348 HydrophobicContact CD1-CB 4.23Å; L344-I352 HydrophobicContact CD1-CD1 4.09Å; L344-L366 HydrophobicContact CD1-CD2 4.31Å; L344-L366 HydrophobicContact CD2-CD2 4.24Å; L344-I428 HydrophobicContact CD2-CG2 3.74Å; L344-T431 HydrophobicContact CB-CG2 4.1Å; L344-L432 HydrophobicContact CD2-CD1 4.14Å; L344-L432 HydrophobicContact CD2-CD2 3.76Å; L344-L432 HydrophobicContact CD2-CG 3.87Å; L344-L432 HydrophobicContact CG-CD2 3.77Å; L344-L432 HydrophobicContact CG-CG 4.39Å
345	T	80.7	Confident	70.1	Confident	5 Å²	5	40.9 Å²	40.9	3%	0.031	20%	0.196	C	C	.	.			trans	-110.4	160.4	-175	66.4	0	0	0	0	112	L343 E347 M348 L349 P437 F441	L343-T345 HydrophobicContact CD1-CG2 4.11Å; L343-T345 HydrophobicContact CG-CG2 4.4Å; T345-E347 PolarHBondContact O-N 3.37Å; T345-E347 VanDerWaalsContact O-N 3.11Å; T345-M348 WeakPolarHBondContact O-CB 3.2Å; T345-M348 PolarHBondContact O-N 3.41Å; T345-M348 WeakPolarHBondContact OG1-CG 3.39Å; T345-L349 PolarHBondContact O-N 2.87Å; T345-P437 HydrophobicContact CG2-CB 3.78Å; T345-F441 HydrophobicContact CG2-CD2 4.38Å; T345-F441 HydrophobicContact CG2-CE2 3.27Å; T345-F441 HydrophobicContact CG2-CZ 3.6Å
346	D	77.8	Confident	71.1	Confident	68 Å²	68	37.9 Å²	37.9	36%	0.364	18%	0.184	S	C	.	.	H	α-helix	trans	-55.7	-30.2	177.5	-60.3	-36.2	0	0	0	113.1	L349 Y350 K438	D346-L349 PolarHBondContact O-N 2.64Å; D346-Y350 WeakPolarHBondContact O-CB 3.42Å; D346-Y350 PolarHBondContact O-N 3.08Å; D346-K438 VanDerWaalsContact CB-NZ 3.34Å; D346-K438 WeakPolarHBondContact OD2-CE 3.44Å; D346-K438 IonicContact OD2-NZ 3.85Å; D346-K438 PolarHBondContact OD2-NZ 2.94Å
347	E	79.3	Confident	71.2	Confident	6 Å²	6	43.9 Å²	43.9	3%	0.028	20%	0.203	C	C	.	.	H	α-helix	trans	-69.6	-44.6	177.3	-170.7	-170.3	176.2	0	0	111	Q249 S263 I264 T345 L349 Y350 A351	Q249-E347 PolarHBondContact NE2-OE2 3.02Å; S263-E347 VanDerWaalsContact CB-OE1 3.22Å; S263-E347 WeakPolarHBondContact CB-OE1 3.48Å; S263-E347 VanDerWaalsContact OG-CD 3.3Å; S263-E347 PolarHBondContact OG-OE1 3.37Å; I264-E347 HydrophobicContact CD1-CB 4.46Å; I264-E347 HydrophobicContact CD1-CG 3.88Å; I264-E347 HydrophobicContact CG1-CG 4.13Å; I264-E347 WeakPolarHBondContact CG1-OE1 3.45Å; I264-E347 PolarHBondContact N-OE1 3.47Å; T345-E347 PolarHBondContact O-N 3.37Å; T345-E347 VanDerWaalsContact O-N 3.11Å; E347-L349 VanDerWaalsContact C-N 3.31Å; E347-L349 PolarHBondContact O-N 3.35Å; E347-Y350 WeakPolarHBondContact O-CB 3.45Å; E347-Y350 PolarHBondContact O-N 2.97Å; E347-A351 PolarHBondContact O-N 3.48Å
348	M	87.4	Confident	71.4	Confident	1 Å²	1	42 Å²	42	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-42.4	172.9	-62.2	175.5	164.6	0	0	110.7	L245 I264 F285 V309 L317 L343 L344 T345 Y350 A351 I352	L245-M348 HydrophobicContact CD2-CE 3.76Å; I264-M348 HydrophobicContact CD1-CG 3.93Å; F285-M348 HydrophobicContact CE1-CB 4.23Å; F285-M348 HydrophobicContact CZ-CB 4.05Å; F285-M348 HydrophobicContact CZ-CG 4.01Å; V309-M348 HydrophobicContact CG1-CE 4.22Å; L317-M348 HydrophobicContact CD1-CE 3.86Å; L343-M348 HydrophobicContact CD2-CE 3.66Å; L343-M348 HydrophobicContact CG-CE 4.24Å; L343-M348 HydrophobicContact CG-SD 4.49Å; L344-M348 HydrophobicContact CD1-CB 4.23Å; T345-M348 WeakPolarHBondContact O-CB 3.2Å; T345-M348 PolarHBondContact O-N 3.41Å; T345-M348 WeakPolarHBondContact OG1-CG 3.39Å; M348-Y350 VanDerWaalsContact C-N 3.32Å; M348-Y350 PolarHBondContact O-N 2.83Å; M348-A351 PolarHBondContact O-N 2.92Å; M348-I352 WeakPolarHBondContact O-CB 3.36Å; M348-I352 WeakPolarHBondContact O-CD1 3.35Å; M348-I352 VanDerWaalsContact O-CG1 3.22Å; M348-I352 WeakPolarHBondContact O-CG1 3.37Å; M348-I352 PolarHBondContact O-N 3.46Å
349	L	84.7	Confident	71.6	Confident	35 Å²	35	40.7 Å²	40.7	18%	0.183	20%	0.198	C	C	.	.	H	α-helix	trans	-61.9	-40.4	175.9	-178.3	63.7	0	0	0	111.9	T345 D346 E347 I352 N353 F363 L432	T345-L349 PolarHBondContact O-N 2.87Å; D346-L349 PolarHBondContact O-N 2.64Å; E347-L349 VanDerWaalsContact C-N 3.31Å; E347-L349 PolarHBondContact O-N 3.35Å; L349-I352 PolarHBondContact O-N 2.96Å; L349-N353 WeakPolarHBondContact O-CB 3.37Å; L349-N353 PolarHBondContact O-N 2.86Å; L349-N353 PolarHBondContact O-ND2 3.24Å; L349-F363 HydrophobicContact CD1-CB 4.44Å; L349-F363 HydrophobicContact CD1-CD2 3.39Å; L349-F363 HydrophobicContact CD1-CE2 3.94Å; L349-F363 HydrophobicContact CD1-CG 4.15Å; L349-L432 HydrophobicContact CB-CD2 4.11Å; L349-L432 HydrophobicContact CD1-CD1 4.42Å; L349-L432 HydrophobicContact CD2-CD1 4.02Å; L349-L432 HydrophobicContact CD2-CD2 3.91Å; L349-L432 HydrophobicContact CG-CD2 4.46Å
350	Y	83.5	Confident	72	Confident	64 Å²	64	35.4 Å²	35.4	25%	0.251	18%	0.181	S	C	.	.	H	α-helix	trans	-63.7	-42.1	176.6	-173.4	-96	0	0	0	111.7	G261 D262 Q265 D346 E347 M348 N353 S354 S355	G261-Y350 VanDerWaalsContact O-CB 3.28Å; G261-Y350 WeakPolarHBondContact O-CB 3.46Å; G261-Y350 WeakPolarHBondContact O-CD1 3.33Å; D262-Y350 HydrophobicContact CB-CD1 3.89Å; D262-Y350 HydrophobicContact CB-CE1 3.4Å; Q265-Y350 HydrophobicContact CB-CE1 4.48Å; D346-Y350 WeakPolarHBondContact O-CB 3.42Å; D346-Y350 PolarHBondContact O-N 3.08Å; E347-Y350 WeakPolarHBondContact O-CB 3.45Å; E347-Y350 PolarHBondContact O-N 2.97Å; M348-Y350 VanDerWaalsContact C-N 3.32Å; M348-Y350 PolarHBondContact O-N 2.83Å; Y350-N353 PolarHBondContact O-N 3.47Å; Y350-S354 PolarHBondContact O-N 3.22Å; Y350-S355 PolarHBondContact O-N 2.96Å; Y350-S355 WeakPolarHBondContact OH-CB 3.39Å
351	A	85.7	Confident	72.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-43.1	172.9	0	0	0	0	0	112.1	I264 F285 E347 M348 N353 S354	I264-A351 HydrophobicContact CB-CB 4.18Å; I264-A351 HydrophobicContact CG2-CB 3.71Å; F285-A351 HydrophobicContact CD1-CB 4.14Å; F285-A351 HydrophobicContact CE1-CB 3.82Å; F285-A351 HydrophobicContact CZ-CB 4.39Å; E347-A351 PolarHBondContact O-N 3.48Å; M348-A351 PolarHBondContact O-N 2.92Å; A351-N353 VanDerWaalsContact C-N 3.3Å; A351-N353 PolarHBondContact O-N 3.12Å; A351-S354 PolarHBondContact O-N 2.94Å; A351-S354 VanDerWaalsContact O-N 3.08Å
352	I	85.6	Confident	73.7	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.1	-39.8	178.7	-73.6	159.1	0	0	0	111.9	F285 R286 L344 M348 L349 S354 Y362 L366	F285-I352 HydrophobicContact CD1-CG1 4.01Å; F285-I352 HydrophobicContact CE1-CD1 4.34Å; F285-I352 HydrophobicContact CE1-CG1 3.92Å; R286-I352 HydrophobicContact CB-CG1 4.49Å; R286-I352 HydrophobicContact CG-CG2 4.12Å; R286-I352 PolarHBondContact NH2-O 2.91Å; L344-I352 HydrophobicContact CD1-CD1 4.09Å; M348-I352 WeakPolarHBondContact O-CB 3.36Å; M348-I352 WeakPolarHBondContact O-CD1 3.35Å; M348-I352 VanDerWaalsContact O-CG1 3.22Å; M348-I352 WeakPolarHBondContact O-CG1 3.37Å; M348-I352 PolarHBondContact O-N 3.46Å; L349-I352 PolarHBondContact O-N 2.96Å; I352-S354 VanDerWaalsContact C-N 3.25Å; I352-S354 PolarHBondContact O-N 3.19Å; I352-Y362 VanDerWaalsContact O-CB 3.31Å; I352-Y362 WeakPolarHBondContact O-CB 3.16Å; I352-L366 HydrophobicContact CD1-CD1 3.97Å; I352-L366 HydrophobicContact CD1-CD2 3.82Å; I352-L366 HydrophobicContact CD1-CG 4.46Å; I352-L366 HydrophobicContact CG2-CB 4.41Å
353	N	81.6	Confident	74.2	Confident	20 Å²	20	36.6 Å²	36.6	11%	0.107	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	4.7	179.3	-69.9	-30.3	0	0	0	113.7	L349 Y350 A351 S355 E356 S359 F363	L349-N353 WeakPolarHBondContact O-CB 3.37Å; L349-N353 PolarHBondContact O-N 2.86Å; L349-N353 PolarHBondContact O-ND2 3.24Å; Y350-N353 PolarHBondContact O-N 3.47Å; A351-N353 VanDerWaalsContact C-N 3.3Å; A351-N353 PolarHBondContact O-N 3.12Å; N353-S355 PolarHBondContact O-N 3.39Å; N353-E356 PolarHBondContact O-N 2.84Å; N353-S359 PolarHBondContact OD1-O 2.66Å; N353-F363 PolarHBondContact OD1-N 3.07Å
354	S	70.2	Confident	74.4	Confident	20 Å²	20	36.6 Å²	36.6	14%	0.14	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	47.7	176	-52	0	0	0	0	113.5	L282 Y350 A351 I352 E356	L282-S354 WeakPolarHBondContact CD1-OG 3.42Å; Y350-S354 PolarHBondContact O-N 3.22Å; A351-S354 PolarHBondContact O-N 2.94Å; A351-S354 VanDerWaalsContact O-N 3.08Å; I352-S354 VanDerWaalsContact C-N 3.25Å; I352-S354 PolarHBondContact O-N 3.19Å; S354-E356 PolarHBondContact O-N 3.25Å
355	S	58.1	Low	74.6	Confident	54 Å²	54	39.6 Å²	39.6	38%	0.378	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	-10.8	-175.3	48.5	0	0	0	0	118.2	Q265 Y350 N353 R357	Q265-S355 VanDerWaalsContact NE2-CB 3.31Å; Q265-S355 PolarHBondContact NE2-OG 2.73Å; Q265-S355 VanDerWaalsContact NE2-OG 3.11Å; Q265-S355 VanDerWaalsContact OE1-CB 3.24Å; Q265-S355 VanDerWaalsContact OE1-N 3.16Å; Y350-S355 PolarHBondContact O-N 2.96Å; Y350-S355 WeakPolarHBondContact OH-CB 3.39Å; N353-S355 PolarHBondContact O-N 3.39Å; S355-R357 PolarHBondContact O-N 3.46Å
356	E	55.8	Low	75.1	Confident	64 Å²	64	39.4 Å²	39.4	30%	0.299	20%	0.196	S	C	.	.			trans	-88.2	100.8	175.9	-74.3	-179	176	0	0	109.5	N353 S354 S358 S359 F482	N353-E356 PolarHBondContact O-N 2.84Å; S354-E356 PolarHBondContact O-N 3.25Å; E356-S358 PolarHBondContact O-N 3.13Å; E356-S359 PolarHBondContact O-N 3.49Å; E356-S359 PolarHBondContact OE2-OG 3.3Å; E356-F482 HydrophobicContact CG-CE1 4.39Å; E356-F482 WeakPolarHBondContact OE2-CZ 3.39Å
357	R	51.3	Low	75.7	Confident	230 Å²	230	36.2 Å²	36.2	87%	0.868	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-14.9	170.1	-73.8	-173.6	179.2	174.4	0.4	113.7	S355	S355-R357 PolarHBondContact O-N 3.46Å
358	S	46.1	Very low	76.3	Confident	52 Å²	52	37.5 Å²	37.5	36%	0.364	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-7.8	179.9	-51.3	0	0	0	0	114.1	E356 S360	E356-S358 PolarHBondContact O-N 3.13Å; S358-S360 VanDerWaalsContact C-N 3.3Å; S358-S360 PolarHBondContact O-N 3.27Å
359	S	56.5	Low	76.6	Confident	13 Å²	13	39 Å²	39	9%	0.091	19%	0.194	C	C	.	.			trans	-96.2	55.8	-175.2	-73.7	0	0	0	0	112.3	N353 E356 S361 Y362	N353-S359 PolarHBondContact OD1-O 2.66Å; E356-S359 PolarHBondContact O-N 3.49Å; E356-S359 PolarHBondContact OE2-OG 3.3Å; S359-S361 PolarHBondContact O-N 3.47Å; S359-Y362 PolarHBondContact O-N 3.17Å
360	S	66.3	Low	77.1	Confident	19 Å²	19	37.3 Å²	37.3	13%	0.133	19%	0.186	C	C	.	.	H	α-helix	trans	-42.2	-25	164.6	54.6	0	0	0	0	115.7	S358 Y362 F363 H364 D650	S358-S360 VanDerWaalsContact C-N 3.3Å; S358-S360 PolarHBondContact O-N 3.27Å; S360-Y362 PolarHBondContact O-N 3.48Å; S360-F363 WeakPolarHBondContact O-CB 3.46Å; S360-F363 PolarHBondContact O-N 3.05Å; S360-F363 VanDerWaalsContact O-N 3.09Å; S360-H364 PolarHBondContact O-CD2 2.8Å; S360-H364 VanDerWaalsContact O-CD2 3.31Å; S360-H364 VanDerWaalsContact O-CG 3.23Å; S360-H364 PolarHBondContact O-N 2.86Å; S360-D650 WeakPolarHBondContact OG-CB 3.47Å; S360-D650 PolarHBondContact OG-OD1 3.48Å; S360-D650 PolarHBondContact OG-OD2 3.44Å
361	S	75.2	Confident	77.5	Confident	44 Å²	44	34.7 Å²	34.7	31%	0.308	18%	0.176	S	C	.	.	H	α-helix	trans	-57	-33.7	178.5	-171.8	0	0	0	0	112.3	S359 E365	S359-S361 PolarHBondContact O-N 3.47Å; S361-E365 PolarHBondContact O-N 3.03Å; S361-E365 VanDerWaalsContact O-N 3.09Å
362	Y	83.3	Confident	77.9	Confident	40 Å²	40	38.8 Å²	38.8	16%	0.157	20%	0.195	C	C	.	.	H	α-helix	trans	-79	-32.2	178.3	-68.5	-41.1	0	0	0	113.1	R286 I352 S359 S360 E365 L366 R581	R286-Y362 VanDerWaalsContact CZ-CB 3.49Å; R286-Y362 VanDerWaalsContact CZ-CG 3.41Å; I352-Y362 VanDerWaalsContact O-CB 3.31Å; I352-Y362 WeakPolarHBondContact O-CB 3.16Å; S359-Y362 PolarHBondContact O-N 3.17Å; S360-Y362 PolarHBondContact O-N 3.48Å; Y362-E365 PolarHBondContact O-N 3.31Å; Y362-L366 PolarHBondContact O-N 3.18Å; Y362-R581 PolarHBondContact OH-NH1 2.96Å; Y362-R581 PolarHBondContact OH-NH2 3.07Å
363	F	85	Confident	78.5	Confident	28 Å²	28	38.8 Å²	38.8	12%	0.123	20%	0.195	C	C	.	.	H	α-helix	trans	-66.3	-40.8	169.1	179.4	-110.4	0	0	0	111.5	L349 N353 S360 E365 L366 V367 I428 L432	L349-F363 HydrophobicContact CD1-CB 4.44Å; L349-F363 HydrophobicContact CD1-CD2 3.39Å; L349-F363 HydrophobicContact CD1-CE2 3.94Å; L349-F363 HydrophobicContact CD1-CG 4.15Å; N353-F363 PolarHBondContact OD1-N 3.07Å; S360-F363 WeakPolarHBondContact O-CB 3.46Å; S360-F363 PolarHBondContact O-N 3.05Å; S360-F363 VanDerWaalsContact O-N 3.09Å; F363-E365 VanDerWaalsContact C-N 3.33Å; F363-E365 PolarHBondContact O-N 2.9Å; F363-L366 HydrophobicContact CD2-CD2 4.29Å; F363-L366 HydrophobicContact CE2-CD2 4.39Å; F363-L366 WeakPolarHBondContact O-CB 3.5Å; F363-L366 PolarHBondContact O-N 3.18Å; F363-V367 HydrophobicContact CD1-CG2 4.33Å; F363-V367 HydrophobicContact CD2-CG2 4.48Å; F363-V367 HydrophobicContact CE1-CG2 3.87Å; F363-V367 HydrophobicContact CE2-CG2 4.02Å; F363-V367 HydrophobicContact CZ-CG2 3.7Å; F363-V367 WeakPolarHBondContact O-CG2 3.24Å; F363-V367 PolarHBondContact O-N 3.28Å; F363-I428 HydrophobicContact CE2-CG2 3.88Å; F363-I428 HydrophobicContact CZ-CG2 3.84Å; F363-L432 HydrophobicContact CE2-CD1 3.56Å; F363-L432 HydrophobicContact CZ-CD1 3.75Å
364	H	85.4	Confident	79.1	Confident	3 Å²	3	37.9 Å²	37.9	1%	0.014	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-43.1	174.2	-62.2	172	0	0	0	111.4	S360 L366 V367 D368 H609 A610 D650 T652	S360-H364 PolarHBondContact O-CD2 2.8Å; S360-H364 VanDerWaalsContact O-CD2 3.31Å; S360-H364 VanDerWaalsContact O-CG 3.23Å; S360-H364 PolarHBondContact O-N 2.86Å; H364-L366 VanDerWaalsContact C-N 3.34Å; H364-L366 PolarHBondContact O-N 3Å; H364-V367 PolarHBondContact O-N 3.16Å; H364-D368 WeakPolarHBondContact O-CB 3.42Å; H364-D368 PolarHBondContact O-N 3.23Å; H364-H609 HydrophobicContact CB-CB 4.44Å; H364-H609 AromaticContact CD2-CE1 3.97Å; H364-H609 AromaticContact CD2-ND1 3.37Å; H364-H609 PolarHBondContact CD2-ND1 3.4Å; H364-H609 AromaticContact CG-CG 3.64Å; H364-H609 AromaticContact CG-ND1 3.46Å; H364-H609 AromaticContact ND1-CG 3.79Å; H364-H609 AromaticContact ND1-ND1 3.92Å; H364-H609 AromaticContact NE2-ND1 3.81Å; H364-A610 PolarHBondContact CE1-O 3.47Å; H364-D650 PolarHBondContact CE1-O 2.83Å; H364-D650 PolarHBondContact NE2-O 3.39Å; H364-T652 PolarHBondContact CD2-OG1 2.05Å; H364-T652 PolarHBondContact NE2-OG1 3.1Å
365	E	87.4	Confident	80.3	Confident	66 Å²	66	37.6 Å²	37.6	31%	0.308	19%	0.187	S	C	.	.	H	α-helix	trans	-60.2	-42.1	174.4	-171.9	-176.8	179.6	0	0	112	R286 S361 Y362 F363 D368 L369	R286-E365 IonicContact CZ-OE2 3.57Å; R286-E365 IonicContact NH1-OE1 2.98Å; R286-E365 IonicContact NH1-OE2 2.83Å; R286-E365 PolarHBondContact NH1-OE2 3.49Å; S361-E365 PolarHBondContact O-N 3.03Å; S361-E365 VanDerWaalsContact O-N 3.09Å; Y362-E365 PolarHBondContact O-N 3.31Å; F363-E365 VanDerWaalsContact C-N 3.33Å; F363-E365 PolarHBondContact O-N 2.9Å; E365-D368 PolarHBondContact O-N 3.27Å; E365-L369 HydrophobicContact CG-CD1 4.25Å; E365-L369 WeakPolarHBondContact O-CB 3.5Å; E365-L369 WeakPolarHBondContact O-CG 3.42Å; E365-L369 PolarHBondContact O-N 3.49Å
366	L	90.8	Very high	82	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-59.6	-48.3	174	-177.4	85.3	0	0	0	111.5	R286 C289 A290 L344 I352 Y362 F363 H364 L369 C370	R286-L366 HydrophobicContact CG-CB 4.21Å; R286-L366 HydrophobicContact CG-CD1 3.9Å; R286-L366 WeakPolarHBondContact O-CD1 3.32Å; C289-L366 HydrophobicContact CB-CD1 4.38Å; A290-L366 HydrophobicContact CB-CD1 3.97Å; L344-L366 HydrophobicContact CD1-CD2 4.31Å; L344-L366 HydrophobicContact CD2-CD2 4.24Å; I352-L366 HydrophobicContact CD1-CD1 3.97Å; I352-L366 HydrophobicContact CD1-CD2 3.82Å; I352-L366 HydrophobicContact CD1-CG 4.46Å; I352-L366 HydrophobicContact CG2-CB 4.41Å; Y362-L366 PolarHBondContact O-N 3.18Å; F363-L366 HydrophobicContact CD2-CD2 4.29Å; F363-L366 HydrophobicContact CE2-CD2 4.39Å; F363-L366 WeakPolarHBondContact O-CB 3.5Å; F363-L366 PolarHBondContact O-N 3.18Å; H364-L366 VanDerWaalsContact C-N 3.34Å; H364-L366 PolarHBondContact O-N 3Å; L366-L369 PolarHBondContact O-N 2.93Å; L366-C370 WeakPolarHBondContact O-CB 3.33Å; L366-C370 PolarHBondContact O-N 3.16Å; L366-C370 PolarHBondContact O-SG 3.36Å; L366-C370 VanDerWaalsContact O-SG 3.33Å
367	V	91.4	Very high	83.9	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63	-46.5	-179.7	173.3	0	0	0	0	110.8	F363 H364 L369 C370 C371 T425 I428 N654	F363-V367 HydrophobicContact CD1-CG2 4.33Å; F363-V367 HydrophobicContact CD2-CG2 4.48Å; F363-V367 HydrophobicContact CE1-CG2 3.87Å; F363-V367 HydrophobicContact CE2-CG2 4.02Å; F363-V367 HydrophobicContact CZ-CG2 3.7Å; F363-V367 WeakPolarHBondContact O-CG2 3.24Å; F363-V367 PolarHBondContact O-N 3.28Å; H364-V367 PolarHBondContact O-N 3.16Å; V367-L369 PolarHBondContact O-N 3.14Å; V367-C370 PolarHBondContact O-N 3.14Å; V367-C371 WeakPolarHBondContact O-CB 3.19Å; V367-C371 PolarHBondContact O-N 3.12Å; V367-C371 PolarHBondContact O-SG 3.34Å; V367-T425 HydrophobicContact CG1-CG2 3.91Å; V367-I428 HydrophobicContact CB-CD1 4.41Å; V367-I428 HydrophobicContact CG1-CD1 4.36Å; V367-I428 HydrophobicContact CG2-CD1 3.98Å; V367-I428 HydrophobicContact CG2-CG2 4.43Å; V367-N654 VanDerWaalsContact CG1-ND2 3.34Å; V367-N654 WeakPolarHBondContact CG1-ND2 2.95Å
368	D	90.8	Very high	85.9	Confident	34 Å²	34	21.9 Å²	21.9	18%	0.182	12%	0.117	C	C	.	.	H	α-helix	trans	-57.2	-47.4	175.6	-81.4	-43.2	0	0	0	111.1	H364 E365 C371 H372 K593 H609	H364-D368 WeakPolarHBondContact O-CB 3.42Å; H364-D368 PolarHBondContact O-N 3.23Å; E365-D368 PolarHBondContact O-N 3.27Å; D368-C371 PolarHBondContact O-N 3.13Å; D368-H372 WeakPolarHBondContact O-CB 3.41Å; D368-H372 PolarHBondContact O-N 3.19Å; D368-K593 IonicContact OD1-NZ 3.72Å; D368-K593 PolarHBondContact OD1-NZ 2.84Å; D368-K593 IonicContact OD2-NZ 3.18Å; D368-K593 PolarHBondContact OD2-NZ 2.82Å; D368-H609 IonicContact OD1-CD2 2.8Å; D368-H609 IonicContact OD1-NE2 3.6Å; D368-H609 PolarHBondContact OD1-NE2 3.32Å; D368-H609 IonicContact OD2-CD2 3.66Å; D368-H609 IonicContact OD2-NE2 3.38Å
369	L	94.1	Very high	88	Confident	31 Å²	31	25.8 Å²	25.8	16%	0.162	13%	0.127	C	C	.	.	H	α-helix	trans	-60.8	-45.2	177.4	-75.1	171.2	0	0	0	111.8	I217 L219 A290 E365 L366 V367 A373	I217-L369 HydrophobicContact CG2-CD2 4.01Å; L219-L369 HydrophobicContact CD2-CB 4.27Å; L219-L369 HydrophobicContact CD2-CD2 4Å; A290-L369 HydrophobicContact CB-CB 3.86Å; E365-L369 HydrophobicContact CG-CD1 4.25Å; E365-L369 WeakPolarHBondContact O-CB 3.5Å; E365-L369 WeakPolarHBondContact O-CG 3.42Å; E365-L369 PolarHBondContact O-N 3.49Å; L366-L369 PolarHBondContact O-N 2.93Å; V367-L369 PolarHBondContact O-N 3.14Å; L369-A373 WeakPolarHBondContact O-CB 3.41Å; L369-A373 PolarHBondContact O-N 2.85Å
370	C	94.4	Very high	89.6	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.007	14%	0.14	C	C	.	.	H	α-helix	trans	-61.2	-47.8	177.2	-77.7	0	0	0	0	112.4	V294 L366 V367 A373 L374 F424 I428	V294-C370 HydrophobicContact CG2-CB 4.09Å; V294-C370 WeakPolarHBondContact CG2-O 3.08Å; L366-C370 WeakPolarHBondContact O-CB 3.33Å; L366-C370 PolarHBondContact O-N 3.16Å; L366-C370 PolarHBondContact O-SG 3.36Å; L366-C370 VanDerWaalsContact O-SG 3.33Å; V367-C370 PolarHBondContact O-N 3.14Å; C370-A373 PolarHBondContact O-N 3.36Å; C370-L374 WeakPolarHBondContact O-CB 3.2Å; C370-L374 PolarHBondContact O-N 3.12Å; C370-F424 HydrophobicContact CB-CD1 3.92Å; C370-F424 HydrophobicContact CB-CE1 3.54Å; C370-I428 HydrophobicContact CB-CD1 4.11Å
371	C	93.6	Very high	90.8	Very high	8 Å²	8	28.3 Å²	28.3	5%	0.054	14%	0.137	C	C	.	.	H	α-helix	trans	-64.3	-43.4	-179.9	-69.9	0	0	0	0	111.5	V367 D368 L374 N375	V367-C371 WeakPolarHBondContact O-CB 3.19Å; V367-C371 PolarHBondContact O-N 3.12Å; V367-C371 PolarHBondContact O-SG 3.34Å; D368-C371 PolarHBondContact O-N 3.13Å; C371-L374 PolarHBondContact O-N 3.07Å; C371-N375 PolarHBondContact O-N 2.92Å; C371-N375 VanDerWaalsContact O-N 3.08Å; C371-N375 PolarHBondContact O-ND2 3.06Å
372	H	93.6	Very high	91.2	Very high	87 Å²	87	27.8 Å²	27.8	40%	0.403	13%	0.132	S	C	.	.	H	α-helix	trans	-63.7	-49.2	176.5	-167.5	177.8	0	0	0	110.6	D215 I217 D368 L374 N375 V376	D215-H372 IonicContact OD2-CD2 3.38Å; D215-H372 IonicContact OD2-CE1 3.14Å; D215-H372 IonicContact OD2-NE2 2.81Å; D215-H372 PolarHBondContact OD2-NE2 3.35Å; I217-H372 HydrophobicContact CD1-CB 4.02Å; I217-H372 WeakPolarHBondContact CD1-CD2 3.46Å; I217-H372 WeakPolarHBondContact CD1-CE1 2.84Å; I217-H372 WeakPolarHBondContact CD1-ND1 3.39Å; I217-H372 WeakPolarHBondContact CD1-NE2 3.38Å; D368-H372 WeakPolarHBondContact O-CB 3.41Å; D368-H372 PolarHBondContact O-N 3.19Å; H372-L374 VanDerWaalsContact C-N 3.33Å; H372-L374 PolarHBondContact O-N 2.98Å; H372-N375 PolarHBondContact O-N 2.91Å; H372-N375 VanDerWaalsContact O-N 3.15Å; H372-V376 WeakPolarHBondContact O-CG2 3.35Å; H372-V376 PolarHBondContact O-N 3.5Å
373	A	96.8	Very high	91.4	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.4	-43.1	177.7	0	0	0	0	0	112.6	W212 L219 V294 L369 C370 V376 I377	W212-A373 HydrophobicContact CZ2-CB 4.2Å; W212-A373 PolarHBondContact NE1-O 3.39Å; L219-A373 HydrophobicContact CD1-CB 3.64Å; V294-A373 HydrophobicContact CG1-CB 4.46Å; V294-A373 HydrophobicContact CG2-CB 4.11Å; L369-A373 WeakPolarHBondContact O-CB 3.41Å; L369-A373 PolarHBondContact O-N 2.85Å; C370-A373 PolarHBondContact O-N 3.36Å; A373-V376 PolarHBondContact O-N 2.68Å; A373-I377 WeakPolarHBondContact O-CG1 3.29Å; A373-I377 PolarHBondContact O-N 2.9Å
374	L	95.9	Very high	91.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.3	-46.6	176	179	66.2	0	0	0	111.5	V294 Y297 V298 C370 C371 H372 V376 I377 R378 W412 F424	V294-L374 HydrophobicContact CG1-CB 4.12Å; V294-L374 HydrophobicContact CG1-CD1 4.27Å; Y297-L374 HydrophobicContact CD1-CD1 4.42Å; Y297-L374 HydrophobicContact CE1-CD1 4.33Å; V298-L374 HydrophobicContact CG2-CD1 3.84Å; C370-L374 WeakPolarHBondContact O-CB 3.2Å; C370-L374 PolarHBondContact O-N 3.12Å; C371-L374 PolarHBondContact O-N 3.07Å; H372-L374 VanDerWaalsContact C-N 3.33Å; H372-L374 PolarHBondContact O-N 2.98Å; L374-V376 VanDerWaalsContact C-N 3.33Å; L374-V376 PolarHBondContact O-N 3.5Å; L374-I377 PolarHBondContact O-N 2.9Å; L374-I377 VanDerWaalsContact O-N 3.17Å; L374-R378 HydrophobicContact CD1-CG 4.47Å; L374-R378 HydrophobicContact CG-CG 4.36Å; L374-R378 VanDerWaalsContact O-CG 3.27Å; L374-R378 WeakPolarHBondContact O-CG 2.84Å; L374-R378 PolarHBondContact O-N 3.44Å; L374-W412 HydrophobicContact CD2-CE3 4.38Å; L374-W412 HydrophobicContact CD2-CZ3 4.06Å; L374-F424 HydrophobicContact CD2-CB 3.89Å; L374-F424 HydrophobicContact CD2-CD2 3.66Å; L374-F424 HydrophobicContact CD2-CE2 4.46Å; L374-F424 HydrophobicContact CD2-CG 3.89Å
375	N	93.8	Very high	91.7	Very high	14 Å²	14	25.9 Å²	25.9	8%	0.075	13%	0.126	C	C	.	.	H	α-helix	trans	-64.8	-34.8	-179.7	-73.4	-23.6	0	0	0	112.6	C371 H372 I377 R378 K379 D417 S421	C371-N375 PolarHBondContact O-N 2.92Å; C371-N375 VanDerWaalsContact O-N 3.08Å; C371-N375 PolarHBondContact O-ND2 3.06Å; H372-N375 PolarHBondContact O-N 2.91Å; H372-N375 VanDerWaalsContact O-N 3.15Å; N375-I377 VanDerWaalsContact C-N 3.34Å; N375-I377 PolarHBondContact O-N 3.37Å; N375-R378 PolarHBondContact O-N 3.15Å; N375-R378 WeakPolarHBondContact OD1-CD 3.15Å; N375-R378 PolarHBondContact OD1-NE 3.42Å; N375-K379 WeakPolarHBondContact O-CG 3.32Å; N375-K379 PolarHBondContact O-N 3.18Å; N375-D417 PolarHBondContact ND2-O 3.09Å; N375-D417 VanDerWaalsContact ND2-O 3.07Å; N375-S421 PolarHBondContact ND2-OG 2.95Å
376	V	95	Very high	91.4	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.012	11%	0.111	C	C	.	.	H	α-helix	trans	-60.7	-44.2	172.3	174.1	0	0	0	0	111.3	L211 D215 I217 H372 A373 L374 K379 H380	L211-V376 HydrophobicContact CB-CG1 4.12Å; D215-V376 HydrophobicContact CB-CG1 4.13Å; D215-V376 HydrophobicContact CB-CG2 3.81Å; D215-V376 VanDerWaalsContact CG-CG2 3.48Å; D215-V376 WeakPolarHBondContact OD2-CG2 3.28Å; I217-V376 HydrophobicContact CD1-CG2 4.04Å; H372-V376 WeakPolarHBondContact O-CG2 3.35Å; H372-V376 PolarHBondContact O-N 3.5Å; A373-V376 PolarHBondContact O-N 2.68Å; L374-V376 VanDerWaalsContact C-N 3.33Å; L374-V376 PolarHBondContact O-N 3.5Å; V376-K379 PolarHBondContact O-N 2.89Å; V376-H380 PolarHBondContact O-ND1 3.47Å
377	I	95	Very high	91.2	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-67.1	-40.4	177.8	-60.5	-42.6	0	0	0	111.2	M208 L211 W212 V298 A373 L374 N375 K379 H380 S381 F384 L411	M208-I377 HydrophobicContact CB-CD1 3.75Å; M208-I377 HydrophobicContact CE-CG2 4.36Å; M208-I377 HydrophobicContact CG-CD1 3.62Å; M208-I377 HydrophobicContact CG-CG1 4.13Å; L211-I377 HydrophobicContact CD1-CD1 4.3Å; W212-I377 HydrophobicContact CZ2-CD1 4.12Å; W212-I377 HydrophobicContact CZ2-CG1 3.95Å; V298-I377 HydrophobicContact CG1-CG2 4.31Å; A373-I377 WeakPolarHBondContact O-CG1 3.29Å; A373-I377 PolarHBondContact O-N 2.9Å; L374-I377 PolarHBondContact O-N 2.9Å; L374-I377 VanDerWaalsContact O-N 3.17Å; N375-I377 VanDerWaalsContact C-N 3.34Å; N375-I377 PolarHBondContact O-N 3.37Å; I377-K379 VanDerWaalsContact C-N 3.35Å; I377-K379 PolarHBondContact O-N 2.86Å; I377-H380 CarbonylContact O-C 3.54Å; I377-H380 PolarHBondContact O-N 3.1Å; I377-S381 PolarHBondContact O-N 2.95Å; I377-S381 VanDerWaalsContact O-N 3.14Å; I377-F384 HydrophobicContact CD1-CE2 4Å; I377-F384 HydrophobicContact CD1-CZ 4.02Å; I377-F384 HydrophobicContact CG2-CD2 4Å; I377-F384 HydrophobicContact CG2-CE2 3.76Å; I377-F384 HydrophobicContact CG2-CZ 4.33Å; I377-L411 HydrophobicContact CG2-CD2 3.91Å
378	R	93.6	Very high	90.8	Very high	17 Å²	17	25 Å²	25	6%	0.064	12%	0.123	C	C	.	.	H	α-helix	trans	-58.3	-43.5	177.3	-73.4	166.3	44.8	92.8	10.1	112.7	L374 N375 H380 S381 L411 W412 C415 A420	L374-R378 HydrophobicContact CD1-CG 4.47Å; L374-R378 HydrophobicContact CG-CG 4.36Å; L374-R378 VanDerWaalsContact O-CG 3.27Å; L374-R378 WeakPolarHBondContact O-CG 2.84Å; L374-R378 PolarHBondContact O-N 3.44Å; N375-R378 PolarHBondContact O-N 3.15Å; N375-R378 WeakPolarHBondContact OD1-CD 3.15Å; N375-R378 PolarHBondContact OD1-NE 3.42Å; R378-H380 PolarHBondContact O-N 3.36Å; R378-S381 WeakPolarHBondContact O-CB 3.07Å; R378-S381 PolarHBondContact O-N 3.08Å; R378-S381 VanDerWaalsContact O-N 3.11Å; R378-S381 PolarHBondContact O-OG 3.41Å; R378-L411 WeakPolarHBondContact CD-O 3.39Å; R378-L411 HydrophobicContact CG-CD2 4.32Å; R378-L411 WeakPolarHBondContact CG-O 3.36Å; R378-L411 PolarHBondContact NH1-O 3.39Å; R378-W412 PolarHBondContact NH1-O 3.5Å; R378-C415 PolarHBondContact NH2-O 2.85Å; R378-A420 VanDerWaalsContact CZ-CB 3.47Å
379	K	90.4	Very high	90.4	Very high	133 Å²	133	26.2 Å²	26.2	58%	0.578	13%	0.126	S	C	*	.	H	α-helix	trans	-60.2	-26	175.2	-71.1	174.3	-177.2	-178.2	0	113.3	N375 V376 I377 D417	N375-K379 WeakPolarHBondContact O-CG 3.32Å; N375-K379 PolarHBondContact O-N 3.18Å; V376-K379 PolarHBondContact O-N 2.89Å; I377-K379 VanDerWaalsContact C-N 3.35Å; I377-K379 PolarHBondContact O-N 2.86Å; K379-D417 IonicContact NZ-OD2 3.85Å
380	H	90.6	Very high	89.5	Confident	75 Å²	75	27.2 Å²	27.2	35%	0.347	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	20.2	178.8	-62.6	87.2	0	0	0	112.8	L211 V376 I377 R378 T382 L383 F384	L211-H380 HydrophobicContact CD1-CB 3.72Å; V376-H380 PolarHBondContact O-ND1 3.47Å; I377-H380 CarbonylContact O-C 3.54Å; I377-H380 PolarHBondContact O-N 3.1Å; R378-H380 PolarHBondContact O-N 3.36Å; H380-T382 VanDerWaalsContact C-N 3.32Å; H380-T382 PolarHBondContact O-N 3.18Å; H380-L383 WeakPolarHBondContact O-CB 2.81Å; H380-L383 PolarHBondContact O-N 3.02Å; H380-L383 VanDerWaalsContact O-N 3.12Å; H380-F384 HydrophobicContact CB-CE2 4.33Å; H380-F384 WeakPolarHBondContact O-CD2 3.07Å; H380-F384 PolarHBondContact O-N 3.32Å
381	S	90.1	Very high	88.9	Confident	10 Å²	10	29.8 Å²	29.8	7%	0.07	14%	0.144	C	C	.	.	H	α-helix	trans	-56.4	-41.3	-174.6	55.2	0	0	0	0	113.6	I377 R378 L383 F384 L385 L413	I377-S381 PolarHBondContact O-N 2.95Å; I377-S381 VanDerWaalsContact O-N 3.14Å; R378-S381 WeakPolarHBondContact O-CB 3.07Å; R378-S381 PolarHBondContact O-N 3.08Å; R378-S381 VanDerWaalsContact O-N 3.11Å; R378-S381 PolarHBondContact O-OG 3.41Å; S381-L383 VanDerWaalsContact C-N 3.28Å; S381-L383 PolarHBondContact O-N 2.93Å; S381-F384 PolarHBondContact O-N 2.95Å; S381-L385 VanDerWaalsContact O-CG 3.32Å; S381-L385 WeakPolarHBondContact O-CG 3.28Å; S381-L385 PolarHBondContact O-N 2.87Å; S381-L413 VanDerWaalsContact CB-CD2 3.5Å; S381-L413 WeakPolarHBondContact OG-CD2 3.45Å
382	T	84.3	Confident	88.1	Confident	34 Å²	34	31.6 Å²	31.6	21%	0.209	15%	0.153	C	C	.	.	H	α-helix	trans	-55.7	-41.6	177.5	-51.1	0	0	0	0	112	L95 H380 N386	L95-T382 HydrophobicContact CD2-CG2 4.39Å; H380-T382 VanDerWaalsContact C-N 3.32Å; H380-T382 PolarHBondContact O-N 3.18Å; T382-N386 VanDerWaalsContact O-CB 3.24Å; T382-N386 WeakPolarHBondContact O-CB 3.27Å; T382-N386 PolarHBondContact O-N 2.87Å; T382-N386 PolarHBondContact O-ND2 2.64Å
383	L	87.2	Confident	87.1	Confident	24 Å²	24	33.4 Å²	33.4	13%	0.126	16%	0.157	C	C	.	.	H	α-helix	trans	-62.8	-50	177.3	172.8	60.3	0	0	0	111.3	P94 I97 L207 H380 S381 L385 N386 L387	P94-L383 HydrophobicContact CB-CB 4.37Å; P94-L383 HydrophobicContact CB-CD1 4Å; I97-L383 HydrophobicContact CD1-CD1 4.25Å; L207-L383 HydrophobicContact CD1-CD2 4.14Å; L207-L383 HydrophobicContact CD2-CD2 3.88Å; L207-L383 HydrophobicContact CD2-CG 4.04Å; L207-L383 HydrophobicContact CG-CD2 4.46Å; H380-L383 WeakPolarHBondContact O-CB 2.81Å; H380-L383 PolarHBondContact O-N 3.02Å; H380-L383 VanDerWaalsContact O-N 3.12Å; S381-L383 VanDerWaalsContact C-N 3.28Å; S381-L383 PolarHBondContact O-N 2.93Å; L383-L385 PolarHBondContact O-N 3.31Å; L383-N386 PolarHBondContact O-N 3.36Å; L383-L387 HydrophobicContact CD1-CD1 3.8Å; L383-L387 HydrophobicContact CD1-CG 4.02Å; L383-L387 HydrophobicContact CG-CD1 4.05Å; L383-L387 WeakPolarHBondContact O-CB 3.21Å; L383-L387 VanDerWaalsContact O-CG 3.26Å; L383-L387 WeakPolarHBondContact O-CG 3.12Å; L383-L387 PolarHBondContact O-N 3.33Å
384	F	89.6	Confident	85.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.3	-46.4	179.1	-76.8	-78	0	0	0	111.9	M204 L207 M208 L211 I377 H380 S381 N386 L387 M388 M407	M204-F384 HydrophobicContact SD-CD1 3.81Å; M204-F384 HydrophobicContact SD-CE1 4.3Å; L207-F384 HydrophobicContact CB-CE1 4.13Å; L207-F384 HydrophobicContact CB-CZ 4.34Å; L207-F384 HydrophobicContact CD2-CD1 4.14Å; L207-F384 HydrophobicContact CD2-CE1 3.75Å; L207-F384 HydrophobicContact CD2-CZ 3.98Å; L207-F384 HydrophobicContact CG-CE1 3.96Å; L207-F384 HydrophobicContact CG-CZ 3.87Å; M208-F384 HydrophobicContact CB-CZ 4.33Å; M208-F384 HydrophobicContact CE-CD1 4.41Å; M208-F384 HydrophobicContact CE-CE1 3.97Å; M208-F384 HydrophobicContact CE-CZ 4.36Å; M208-F384 HydrophobicContact CG-CE1 3.63Å; M208-F384 HydrophobicContact CG-CE2 4.48Å; M208-F384 HydrophobicContact CG-CZ 3.43Å; M208-F384 VanDerWaalsContact CG-CZ 3.43Å; L211-F384 HydrophobicContact CD1-CE2 3.5Å; L211-F384 VanDerWaalsContact CD1-CE2 3.5Å; L211-F384 HydrophobicContact CD1-CZ 3.76Å; I377-F384 HydrophobicContact CD1-CE2 4Å; I377-F384 HydrophobicContact CD1-CZ 4.02Å; I377-F384 HydrophobicContact CG2-CD2 4Å; I377-F384 HydrophobicContact CG2-CE2 3.76Å; I377-F384 HydrophobicContact CG2-CZ 4.33Å; H380-F384 HydrophobicContact CB-CE2 4.33Å; H380-F384 WeakPolarHBondContact O-CD2 3.07Å; H380-F384 PolarHBondContact O-N 3.32Å; S381-F384 PolarHBondContact O-N 2.95Å; F384-N386 PolarHBondContact O-N 3Å; F384-L387 PolarHBondContact O-N 3.47Å; F384-M388 VanDerWaalsContact O-CG 3.23Å; F384-M388 WeakPolarHBondContact O-CG 3.27Å; F384-M388 PolarHBondContact O-N 3.38Å; F384-M407 HydrophobicContact CB-CE 3.63Å; F384-M407 HydrophobicContact CD1-CE 4.07Å; F384-M407 HydrophobicContact CG-CE 4.06Å
385	L	87.2	Confident	85	Confident	7 Å²	7	40.2 Å²	40.2	4%	0.037	20%	0.196	C	C	.	.	H	α-helix	trans	-63.9	-42	179.7	-66.2	175	0	0	0	111.7	S381 L383 M388 K389 I404 R408 L413	S381-L385 VanDerWaalsContact O-CG 3.32Å; S381-L385 WeakPolarHBondContact O-CG 3.28Å; S381-L385 PolarHBondContact O-N 2.87Å; L383-L385 PolarHBondContact O-N 3.31Å; L385-M388 PolarHBondContact O-N 3.17Å; L385-K389 WeakPolarHBondContact O-CB 3.44Å; L385-K389 VanDerWaalsContact O-CG 3.25Å; L385-K389 WeakPolarHBondContact O-CG 3.48Å; L385-K389 PolarHBondContact O-N 3.43Å; L385-I404 HydrophobicContact CD2-CG2 3.88Å; L385-R408 HydrophobicContact CD1-CB 4.45Å; L385-R408 HydrophobicContact CD1-CG 4.32Å; L385-R408 HydrophobicContact CD2-CB 3.93Å; L385-L413 HydrophobicContact CD1-CD1 4.47Å
386	N	82.1	Confident	84.3	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.011	19%	0.194	C	C	.	.	H	α-helix	trans	-67.7	-39.2	178.4	-72.8	-9.3	0	0	0	112	I97 E98 T382 L383 F384 K389 L390	I97-N386 HydrophobicContact CG2-CB 4.43Å; E98-N386 PolarHBondContact OE2-ND2 2.91Å; T382-N386 VanDerWaalsContact O-CB 3.24Å; T382-N386 WeakPolarHBondContact O-CB 3.27Å; T382-N386 PolarHBondContact O-N 2.87Å; T382-N386 PolarHBondContact O-ND2 2.64Å; L383-N386 PolarHBondContact O-N 3.36Å; F384-N386 PolarHBondContact O-N 3Å; N386-K389 PolarHBondContact O-N 3.34Å; N386-L390 PolarHBondContact O-N 3.41Å
387	L	84.9	Confident	83.6	Confident	45 Å²	45	42 Å²	42	24%	0.236	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-43.8	172.9	-72.6	172.1	0	0	0	111.9	I97 M204 L207 L383 F384 K389 L390 M391	I97-L387 HydrophobicContact CD1-CD2 4.09Å; I97-L387 HydrophobicContact CG2-CD2 4.41Å; M204-L387 HydrophobicContact CE-CB 3.67Å; L207-L387 HydrophobicContact CD2-CD1 3.4Å; L207-L387 VanDerWaalsContact CD2-CD1 3.4Å; L383-L387 HydrophobicContact CD1-CD1 3.8Å; L383-L387 HydrophobicContact CD1-CG 4.02Å; L383-L387 HydrophobicContact CG-CD1 4.05Å; L383-L387 WeakPolarHBondContact O-CB 3.21Å; L383-L387 VanDerWaalsContact O-CG 3.26Å; L383-L387 WeakPolarHBondContact O-CG 3.12Å; L383-L387 PolarHBondContact O-N 3.33Å; F384-L387 PolarHBondContact O-N 3.47Å; L387-K389 VanDerWaalsContact C-N 3.35Å; L387-K389 PolarHBondContact O-N 2.96Å; L387-L390 PolarHBondContact O-N 2.93Å; L387-M391 VanDerWaalsContact O-CG 3.29Å; L387-M391 WeakPolarHBondContact O-CG 3.42Å; L387-M391 PolarHBondContact O-N 3.4Å
388	M	84.4	Confident	82.8	Confident	1 Å²	1	43 Å²	43	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-63.2	-41.3	176	-66.9	-63.1	-83.9	0	0	111.6	L200 M204 L326 F384 L385 L390 M391 L392 L399 I404 M407	L200-M388 HydrophobicContact CD1-SD 4.23Å; L200-M388 HydrophobicContact CD2-CE 4.42Å; L200-M388 HydrophobicContact CD2-SD 4.25Å; L200-M388 HydrophobicContact CG-SD 4.42Å; M204-M388 HydrophobicContact CE-CG 3.82Å; M204-M388 HydrophobicContact CE-SD 3.29Å; M204-M388 WeakPolarHBondContact CE-SD 3.5Å; M204-M388 HydrophobicContact CG-SD 4.17Å; M204-M388 HydrophobicContact SD-SD 4.22Å; L326-M388 HydrophobicContact CD1-CE 3.39Å; L326-M388 HydrophobicContact CD2-CE 3.85Å; L326-M388 HydrophobicContact CG-CE 4.22Å; F384-M388 VanDerWaalsContact O-CG 3.23Å; F384-M388 WeakPolarHBondContact O-CG 3.27Å; F384-M388 PolarHBondContact O-N 3.38Å; L385-M388 PolarHBondContact O-N 3.17Å; M388-L390 VanDerWaalsContact C-N 3.33Å; M388-L390 PolarHBondContact O-N 3.48Å; M388-M391 PolarHBondContact O-N 3.24Å; M388-M391 VanDerWaalsContact O-N 3.12Å; M388-L392 PolarHBondContact O-N 3.15Å; M388-L392 VanDerWaalsContact O-N 3.16Å; M388-L399 HydrophobicContact CE-CD1 3.35Å; M388-L399 HydrophobicContact SD-CD1 4.33Å; M388-I404 HydrophobicContact CB-CD1 3.83Å; M388-I404 HydrophobicContact CB-CG1 3.96Å; M388-M407 HydrophobicContact CE-SD 4.33Å; M388-M407 HydrophobicContact CG-SD 3.84Å
389	K	81.4	Confident	82.3	Confident	60 Å²	60	42.9 Å²	42.9	26%	0.261	22%	0.219	S	C	.	.	H	α-helix	trans	-62.5	-37.6	176.1	-73.2	169.8	-174.3	170.9	0	112.3	L101 L385 N386 L387 M391 L392 Y393 I404	L101-K389 HydrophobicContact CD1-CB 4.35Å; L101-K389 HydrophobicContact CD1-CD 4.15Å; L101-K389 HydrophobicContact CD2-CB 3.65Å; L385-K389 WeakPolarHBondContact O-CB 3.44Å; L385-K389 VanDerWaalsContact O-CG 3.25Å; L385-K389 WeakPolarHBondContact O-CG 3.48Å; L385-K389 PolarHBondContact O-N 3.43Å; N386-K389 PolarHBondContact O-N 3.34Å; L387-K389 VanDerWaalsContact C-N 3.35Å; L387-K389 PolarHBondContact O-N 2.96Å; K389-M391 VanDerWaalsContact C-N 3.34Å; K389-L392 WeakPolarHBondContact O-CB 3.43Å; K389-L392 PolarHBondContact O-N 3.2Å; K389-Y393 WeakPolarHBondContact O-CD2 3.46Å; K389-Y393 WeakPolarHBondContact O-CE2 3.45Å; K389-I404 HydrophobicContact CB-CD1 4.42Å; K389-I404 HydrophobicContact CG-CD1 3.93Å
390	L	76.3	Confident	82	Confident	52 Å²	52	39.3 Å²	39.3	27%	0.272	21%	0.209	S	C	.	.	H	α-helix	trans	-65.7	-39.5	172.7	-78.3	174.7	0	0	0	111.9	I97 L100 L101 N386 L387 M388 L392 Y393	I97-L390 HydrophobicContact CG2-CD1 3.22Å; I97-L390 HydrophobicContact CG2-CG 4.29Å; L100-L390 HydrophobicContact CB-CD2 4.28Å; L101-L390 HydrophobicContact CD2-CB 4.41Å; L101-L390 HydrophobicContact CD2-CD2 3.63Å; L101-L390 HydrophobicContact CD2-CG 3.66Å; L101-L390 HydrophobicContact CG-CD2 4.24Å; L101-L390 HydrophobicContact CG-CG 4.42Å; N386-L390 PolarHBondContact O-N 3.41Å; L387-L390 PolarHBondContact O-N 2.93Å; M388-L390 VanDerWaalsContact C-N 3.33Å; M388-L390 PolarHBondContact O-N 3.48Å; L390-L392 PolarHBondContact O-N 2.79Å; L390-Y393 PolarHBondContact O-N 2.96Å
391	M	80.2	Confident	81.6	Confident	55 Å²	55	39.7 Å²	39.7	27%	0.271	22%	0.218	S	C	.	.	H	α-helix	trans	-69.4	-18.4	-179	-70.2	-61.1	-53.6	0	0	113.4	L200 L387 M388 K389 Y393 A394 V396 L399	L200-M391 HydrophobicContact CD1-CB 4.21Å; L200-M391 HydrophobicContact CD1-CE 4.2Å; L200-M391 HydrophobicContact CD1-CG 3.71Å; L200-M391 HydrophobicContact CD1-SD 4.48Å; L200-M391 HydrophobicContact CD2-CB 4.35Å; L387-M391 VanDerWaalsContact O-CG 3.29Å; L387-M391 WeakPolarHBondContact O-CG 3.42Å; L387-M391 PolarHBondContact O-N 3.4Å; M388-M391 PolarHBondContact O-N 3.24Å; M388-M391 VanDerWaalsContact O-N 3.12Å; K389-M391 VanDerWaalsContact C-N 3.34Å; M391-Y393 PolarHBondContact O-N 3.5Å; M391-A394 HydrophobicContact CE-CB 3.86Å; M391-A394 WeakPolarHBondContact O-CB 3.38Å; M391-A394 PolarHBondContact O-N 3.07Å; M391-V396 HydrophobicContact CE-CG2 3.67Å; M391-L399 HydrophobicContact CB-CD2 3.53Å; M391-L399 WeakPolarHBondContact O-CD2 3.49Å
392	L	77.4	Confident	81.3	Confident	45 Å²	45	45.4 Å²	45.4	24%	0.236	24%	0.243	C	C	.	.	H	α-helix	trans	-54.3	-39.3	170.7	-73.4	170.2	0	0	0	111.6	M388 K389 L390 A394 D395 L399 I404	M388-L392 PolarHBondContact O-N 3.15Å; M388-L392 VanDerWaalsContact O-N 3.16Å; K389-L392 WeakPolarHBondContact O-CB 3.43Å; K389-L392 PolarHBondContact O-N 3.2Å; L390-L392 PolarHBondContact O-N 2.79Å; L392-A394 PolarHBondContact O-N 3.47Å; L392-D395 PolarHBondContact O-N 3.4Å; L392-L399 HydrophobicContact CD2-CD2 4.32Å; L392-L399 HydrophobicContact CD2-CG 3.8Å; L392-L399 WeakPolarHBondContact CD2-O 3.05Å; L392-L399 HydrophobicContact CG-CD2 4.43Å; L392-L399 HydrophobicContact CG-CG 4.37Å; L392-I404 HydrophobicContact CD1-CD1 3.57Å; L392-I404 HydrophobicContact CD2-CD1 4.17Å; L392-I404 HydrophobicContact CG-CD1 3.77Å
393	Y	72.7	Confident	81.3	Confident	125 Å²	125	44 Å²	44	49%	0.49	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-4.1	-179.6	-57.1	-80.3	0	0	0	113.6	P102 K389 L390 M391 D395	P102-Y393 HydrophobicContact CB-CE1 4.05Å; P102-Y393 HydrophobicContact CB-CE2 4.47Å; P102-Y393 WeakPolarHBondContact CB-OH 3.35Å; P102-Y393 VanDerWaalsContact CD-CZ 3.41Å; P102-Y393 WeakPolarHBondContact CD-OH 3Å; P102-Y393 HydrophobicContact CG-CD1 4.05Å; P102-Y393 HydrophobicContact CG-CD2 4.05Å; P102-Y393 HydrophobicContact CG-CE1 3.52Å; P102-Y393 HydrophobicContact CG-CE2 3.55Å; P102-Y393 HydrophobicContact CG-CG 4.29Å; P102-Y393 WeakPolarHBondContact CG-OH 3.41Å; K389-Y393 WeakPolarHBondContact O-CD2 3.46Å; K389-Y393 WeakPolarHBondContact O-CE2 3.45Å; L390-Y393 PolarHBondContact O-N 2.96Å; M391-Y393 PolarHBondContact O-N 3.5Å; Y393-D395 VanDerWaalsContact C-N 3.32Å
394	A	72.4	Confident	81.3	Confident	17 Å²	17	43.4 Å²	43.4	14%	0.14	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	3.7	172.3	0	0	0	0	0	113	R196 M391 L392 V396	R196-A394 PolarHBondContact NH1-O 3Å; M391-A394 HydrophobicContact CE-CB 3.86Å; M391-A394 WeakPolarHBondContact O-CB 3.38Å; M391-A394 PolarHBondContact O-N 3.07Å; L392-A394 PolarHBondContact O-N 3.47Å; A394-V396 VanDerWaalsContact C-N 3.26Å; A394-V396 HydrophobicContact CB-CG2 4.08Å; A394-V396 PolarHBondContact O-N 2.71Å
395	D	75.9	Confident	81.1	Confident	127 Å²	127	46.3 Å²	46.3	68%	0.679	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	46.8	178.6	-167.9	38.8	0	0	0	112.1	R196 L392 Y393	R196-D395 VanDerWaalsContact CZ-O 3.27Å; R196-D395 PolarHBondContact NH1-O 3.31Å; R196-D395 PolarHBondContact NH2-O 3.36Å; L392-D395 PolarHBondContact O-N 3.4Å; Y393-D395 VanDerWaalsContact C-N 3.32Å
396	V	79.8	Confident	81	Confident	6 Å²	6	50.1 Å²	50.1	4%	0.036	27%	0.27	C	S	.	.			trans	-74	128.3	178.8	-177.4	0	0	0	0	108.3	R196 Q197 L200 M391 A394 G398 L399	R196-V396 HydrophobicContact CB-CG1 4.17Å; Q197-V396 HydrophobicContact CB-CG1 4.41Å; L200-V396 HydrophobicContact CD2-CG1 4.15Å; M391-V396 HydrophobicContact CE-CG2 3.67Å; A394-V396 VanDerWaalsContact C-N 3.26Å; A394-V396 HydrophobicContact CB-CG2 4.08Å; A394-V396 PolarHBondContact O-N 2.71Å; V396-G398 PolarHBondContact O-N 2.72Å; V396-L399 HydrophobicContact CB-CB 4.19Å; V396-L399 HydrophobicContact CB-CD2 4.4Å; V396-L399 WeakPolarHBondContact O-CB 3.25Å; V396-L399 PolarHBondContact O-N 2.8Å
397	P	80.7	Confident	81.4	Confident	46 Å²	46	50 Å²	50	30%	0.299	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	137.2	178.4	-23.6	33.4	0	0	0	111.8	D194 Y325 L399	D194-P397 HydrophobicContact CB-CG 4.35Å; D194-P397 VanDerWaalsContact OD2-CG 3.24Å; D194-P397 WeakPolarHBondContact OD2-CG 3.2Å; Y325-P397 WeakPolarHBondContact CE1-O 3.38Å; Y325-P397 PolarHBondContact OH-O 2.71Å; P397-L399 PolarHBondContact O-N 2.74Å
398	G	77.2	Confident	81.5	Confident	22 Å²	22	50.6 Å²	50.6	23%	0.227	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	-8.2	179.8	0	0	0	0	0	115.5	D328 V396 T400	D328-G398 WeakPolarHBondContact OD2-CA 3.33Å; V396-G398 PolarHBondContact O-N 2.72Å; G398-T400 PolarHBondContact O-N 3.15Å
399	L	84	Confident	81.6	Confident	14 Å²	14	52.6 Å²	52.6	7%	0.073	29%	0.29	C	S	.	.			trans	-90.4	102.9	176.9	-170	68.3	0	0	0	111	L200 L326 M388 M391 L392 V396 P397 I404	L200-L399 HydrophobicContact CD2-CD1 4.36Å; L200-L399 HydrophobicContact CD2-CD2 3.96Å; L326-L399 HydrophobicContact CD1-CD1 3.65Å; M388-L399 HydrophobicContact CE-CD1 3.35Å; M388-L399 HydrophobicContact SD-CD1 4.33Å; M391-L399 HydrophobicContact CB-CD2 3.53Å; M391-L399 WeakPolarHBondContact O-CD2 3.49Å; L392-L399 HydrophobicContact CD2-CD2 4.32Å; L392-L399 HydrophobicContact CD2-CG 3.8Å; L392-L399 WeakPolarHBondContact CD2-O 3.05Å; L392-L399 HydrophobicContact CG-CD2 4.43Å; L392-L399 HydrophobicContact CG-CG 4.37Å; V396-L399 HydrophobicContact CB-CB 4.19Å; V396-L399 HydrophobicContact CB-CD2 4.4Å; V396-L399 WeakPolarHBondContact O-CB 3.25Å; V396-L399 PolarHBondContact O-N 2.8Å; P397-L399 PolarHBondContact O-N 2.74Å; L399-I404 HydrophobicContact CD1-CG1 4.29Å
400	T	84.2	Confident	82	Confident	58 Å²	58	50.6 Å²	50.6	36%	0.356	28%	0.282	S	S	.	.			trans	-120.8	165.7	174.7	77.7	0	0	0	0	111.9	G398 E402 S403 I404	G398-T400 PolarHBondContact O-N 3.15Å; T400-E402 WeakPolarHBondContact CB-OE2 2.95Å; T400-E402 PolarHBondContact O-N 3.08Å; T400-E402 PolarHBondContact OG1-N 3.44Å; T400-E402 PolarHBondContact OG1-OE2 3.4Å; T400-S403 PolarHBondContact N-OG 2.94Å; T400-S403 WeakPolarHBondContact O-CB 3.42Å; T400-S403 PolarHBondContact O-N 3.08Å; T400-S403 PolarHBondContact O-OG 2.76Å; T400-S403 PolarHBondContact OG1-N 3.09Å; T400-I404 PolarHBondContact O-N 2.86Å
401	P	82.7	Confident	82.7	Confident	83 Å²	83	48.1 Å²	48.1	54%	0.539	27%	0.269	S	S	.	.	H	α-helix	trans	-53.3	-37.2	171.4	-26.9	36.8	0	0	0	113.3	I404 A405	P401-I404 PolarHBondContact O-N 2.69Å; P401-A405 PolarHBondContact O-N 3.25Å
402	E	83.8	Confident	83.1	Confident	130 Å²	130	47.6 Å²	47.6	61%	0.607	26%	0.264	S	S	*	.	H	α-helix	trans	-65.8	-38.5	176.3	-58.3	69.4	-148.3	0	0	111.5	T400 I404 A405 Y406	T400-E402 WeakPolarHBondContact CB-OE2 2.95Å; T400-E402 PolarHBondContact O-N 3.08Å; T400-E402 PolarHBondContact OG1-N 3.44Å; T400-E402 PolarHBondContact OG1-OE2 3.4Å; E402-I404 VanDerWaalsContact C-N 3.28Å; E402-I404 PolarHBondContact O-N 2.81Å; E402-A405 CarbonylContact O-C 3.57Å; E402-A405 WeakPolarHBondContact O-CB 3.24Å; E402-A405 PolarHBondContact O-N 2.83Å; E402-Y406 PolarHBondContact O-N 3.2Å
403	S	84	Confident	83.5	Confident	6 Å²	6	47 Å²	47	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-62.4	-35.3	176	84.8	0	0	0	0	112	T400 Y406 M407	T400-S403 PolarHBondContact N-OG 2.94Å; T400-S403 WeakPolarHBondContact O-CB 3.42Å; T400-S403 PolarHBondContact O-N 3.08Å; T400-S403 PolarHBondContact O-OG 2.76Å; T400-S403 PolarHBondContact OG1-N 3.09Å; S403-Y406 WeakPolarHBondContact O-CB 3.43Å; S403-Y406 PolarHBondContact O-N 2.96Å; S403-M407 PolarHBondContact O-N 3.42Å; S403-M407 VanDerWaalsContact O-N 3.1Å
404	I	85.7	Confident	84	Confident	11 Å²	11	48.1 Å²	48.1	6%	0.056	27%	0.271	C	S	.	.	H	α-helix	trans	-72.4	-41.2	174.5	-59.3	-176.1	0	0	0	110.5	L385 M388 K389 L392 L399 T400 P401 E402 Y406 M407 R408	L385-I404 HydrophobicContact CD2-CG2 3.88Å; M388-I404 HydrophobicContact CB-CD1 3.83Å; M388-I404 HydrophobicContact CB-CG1 3.96Å; K389-I404 HydrophobicContact CB-CD1 4.42Å; K389-I404 HydrophobicContact CG-CD1 3.93Å; L392-I404 HydrophobicContact CD1-CD1 3.57Å; L392-I404 HydrophobicContact CD2-CD1 4.17Å; L392-I404 HydrophobicContact CG-CD1 3.77Å; L399-I404 HydrophobicContact CD1-CG1 4.29Å; T400-I404 PolarHBondContact O-N 2.86Å; P401-I404 PolarHBondContact O-N 2.69Å; E402-I404 VanDerWaalsContact C-N 3.28Å; E402-I404 PolarHBondContact O-N 2.81Å; I404-Y406 PolarHBondContact O-N 3.01Å; I404-M407 PolarHBondContact O-N 3.39Å; I404-R408 WeakPolarHBondContact O-CB 3.44Å; I404-R408 PolarHBondContact O-N 2.94Å
405	A	86.1	Confident	84.6	Confident	60 Å²	60	47.9 Å²	47.9	50%	0.496	27%	0.268	S	S	.	.	H	α-helix	trans	-60.6	-36.4	173.7	0	0	0	0	0	111.5	P401 E402 R408 G409	P401-A405 PolarHBondContact O-N 3.25Å; E402-A405 CarbonylContact O-C 3.57Å; E402-A405 WeakPolarHBondContact O-CB 3.24Å; E402-A405 PolarHBondContact O-N 2.83Å; A405-R408 WeakPolarHBondContact O-CB 3.5Å; A405-R408 PolarHBondContact O-N 3.02Å; A405-G409 PolarHBondContact O-N 2.76Å
406	Y	85.9	Confident	85.1	Confident	88 Å²	88	44.2 Å²	44.2	35%	0.345	25%	0.25	S	S	.	.	H	α-helix	trans	-62.4	-50.5	173.3	-177.7	-89.4	0	0	0	112	E402 S403 I404 R408 G409 N410	E402-Y406 PolarHBondContact O-N 3.2Å; S403-Y406 WeakPolarHBondContact O-CB 3.43Å; S403-Y406 PolarHBondContact O-N 2.96Å; I404-Y406 PolarHBondContact O-N 3.01Å; Y406-R408 VanDerWaalsContact C-N 3.29Å; Y406-R408 PolarHBondContact O-N 3.39Å; Y406-G409 WeakPolarHBondContact O-CA 3.39Å; Y406-G409 PolarHBondContact O-N 3.43Å; Y406-N410 WeakPolarHBondContact CE1-ND2 3.38Å; Y406-N410 PolarHBondContact O-N 2.93Å; Y406-N410 VanDerWaalsContact O-N 3.13Å
407	M	88.9	Confident	85.4	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.3	-43.4	175.8	-179.4	-178.4	180	0	0	111.6	V298 L299 L326 F384 M388 S403 I404 G409 N410 L411	V298-M407 HydrophobicContact CG1-CE 3.85Å; V298-M407 HydrophobicContact CG1-CG 4.37Å; L299-M407 HydrophobicContact CD2-CE 3.89Å; L299-M407 HydrophobicContact CD2-SD 4.17Å; L326-M407 HydrophobicContact CD2-CB 3.95Å; F384-M407 HydrophobicContact CB-CE 3.63Å; F384-M407 HydrophobicContact CD1-CE 4.07Å; F384-M407 HydrophobicContact CG-CE 4.06Å; M388-M407 HydrophobicContact CE-SD 4.33Å; M388-M407 HydrophobicContact CG-SD 3.84Å; S403-M407 PolarHBondContact O-N 3.42Å; S403-M407 VanDerWaalsContact O-N 3.1Å; I404-M407 PolarHBondContact O-N 3.39Å; M407-G409 VanDerWaalsContact C-N 3.32Å; M407-G409 PolarHBondContact O-N 3.1Å; M407-N410 PolarHBondContact O-N 3.45Å; M407-L411 PolarHBondContact O-N 3.33Å
408	R	87.2	Confident	85.6	Confident	56 Å²	56	44.1 Å²	44.1	21%	0.211	25%	0.247	C	C	.	.	H	α-helix	trans	-58.7	-42.9	174.7	178.7	-179.4	162.2	75.6	16.1	111.6	G37 F38 L385 I404 A405 Y406 N410 L411 L413	G37-R408 PolarHBondContact O-NH1 3.27Å; G37-R408 VanDerWaalsContact O-NH1 3.09Å; F38-R408 VanDerWaalsContact CA-CZ 3.43Å; F38-R408 VanDerWaalsContact CA-NH2 3.25Å; F38-R408 PolarHBondContact O-NH2 3.45Å; L385-R408 HydrophobicContact CD1-CB 4.45Å; L385-R408 HydrophobicContact CD1-CG 4.32Å; L385-R408 HydrophobicContact CD2-CB 3.93Å; I404-R408 WeakPolarHBondContact O-CB 3.44Å; I404-R408 PolarHBondContact O-N 2.94Å; A405-R408 WeakPolarHBondContact O-CB 3.5Å; A405-R408 PolarHBondContact O-N 3.02Å; Y406-R408 VanDerWaalsContact C-N 3.29Å; Y406-R408 PolarHBondContact O-N 3.39Å; R408-N410 VanDerWaalsContact C-N 3.28Å; R408-N410 PolarHBondContact O-N 3.02Å; R408-L411 PolarHBondContact O-N 2.93Å; R408-L411 VanDerWaalsContact O-N 3.15Å; R408-L413 HydrophobicContact CG-CD1 4.32Å
409	G	87.9	Confident	86	Confident	44 Å²	44	46.8 Å²	46.8	45%	0.454	25%	0.254	S	S	.	.	H	α-helix	trans	-59.2	-35.7	176	0	0	0	0	0	113.4	A405 Y406 M407 L411	A405-G409 PolarHBondContact O-N 2.76Å; Y406-G409 WeakPolarHBondContact O-CA 3.39Å; Y406-G409 PolarHBondContact O-N 3.43Å; M407-G409 VanDerWaalsContact C-N 3.32Å; M407-G409 PolarHBondContact O-N 3.1Å; G409-L411 VanDerWaalsContact C-N 3.29Å; G409-L411 PolarHBondContact O-N 3.46Å
410	N	90	Very high	86.2	Confident	17 Å²	17	46.1 Å²	46.1	9%	0.091	25%	0.25	C	S	.	.	H	α-helix	trans	-72	-22.2	178.3	-65.3	-22.7	0	0	0	113.4	Y297 V298 Y406 M407 R408	Y297-N410 HydrophobicContact CE1-CB 4.06Å; Y297-N410 WeakPolarHBondContact CE1-O 3.44Å; Y297-N410 HydrophobicContact CE2-CB 4.4Å; Y297-N410 PolarHBondContact O-ND2 3.11Å; Y297-N410 VanDerWaalsContact O-ND2 3.12Å; Y297-N410 PolarHBondContact OH-O 3.35Å; V298-N410 PolarHBondContact O-ND2 3.24Å; Y406-N410 WeakPolarHBondContact CE1-ND2 3.38Å; Y406-N410 PolarHBondContact O-N 2.93Å; Y406-N410 VanDerWaalsContact O-N 3.13Å; M407-N410 PolarHBondContact O-N 3.45Å; R408-N410 VanDerWaalsContact C-N 3.28Å; R408-N410 PolarHBondContact O-N 3.02Å
411	L	90.5	Very high	86.5	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-79.9	-16.1	-179.1	-68.2	169.8	0	0	0	113.1	V298 I377 R378 M407 R408 G409 L413	V298-L411 HydrophobicContact CG1-CD2 3.86Å; V298-L411 HydrophobicContact CG1-CG 4.47Å; V298-L411 HydrophobicContact CG2-CD2 4.18Å; I377-L411 HydrophobicContact CG2-CD2 3.91Å; R378-L411 WeakPolarHBondContact CD-O 3.39Å; R378-L411 HydrophobicContact CG-CD2 4.32Å; R378-L411 WeakPolarHBondContact CG-O 3.36Å; R378-L411 PolarHBondContact NH1-O 3.39Å; M407-L411 PolarHBondContact O-N 3.33Å; R408-L411 PolarHBondContact O-N 2.93Å; R408-L411 VanDerWaalsContact O-N 3.15Å; G409-L411 VanDerWaalsContact C-N 3.29Å; G409-L411 PolarHBondContact O-N 3.46Å; L411-L413 VanDerWaalsContact C-N 3.33Å; L411-L413 HydrophobicContact CB-CD2 3.72Å; L411-L413 HydrophobicContact CB-CG 4.04Å; L411-L413 HydrophobicContact CD1-CD2 4.47Å; L411-L413 PolarHBondContact O-N 2.8Å
412	W	88.2	Confident	86.7	Confident	44 Å²	44	41.6 Å²	41.6	17%	0.167	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	44.3	180	-56.1	-34.9	0	0	0	114.7	Y297 L374 R378 E414 C415 A420 R423 F424 M427	Y297-W412 VanDerWaalsContact OH-CE2 3.24Å; Y297-W412 WeakPolarHBondContact OH-CZ2 3.39Å; L374-W412 HydrophobicContact CD2-CE3 4.38Å; L374-W412 HydrophobicContact CD2-CZ3 4.06Å; R378-W412 PolarHBondContact NH1-O 3.5Å; W412-E414 PolarHBondContact O-N 2.59Å; W412-C415 HydrophobicContact CB-CB 4.28Å; W412-C415 WeakPolarHBondContact O-CB 3.32Å; W412-C415 PolarHBondContact O-N 2.79Å; W412-A420 HydrophobicContact CE3-CB 4.22Å; W412-A420 WeakPolarHBondContact CZ3-O 3.13Å; W412-R423 HydrophobicContact CD2-CB 4.45Å; W412-R423 HydrophobicContact CE3-CB 3.9Å; W412-R423 HydrophobicContact CH2-CB 3.47Å; W412-R423 VanDerWaalsContact CH2-CB 3.47Å; W412-R423 HydrophobicContact CZ2-CB 4.04Å; W412-R423 HydrophobicContact CZ3-CB 3.39Å; W412-F424 HydrophobicContact CH2-CB 4.39Å; W412-F424 HydrophobicContact CH2-CD2 4.38Å; W412-F424 HydrophobicContact CZ3-CB 4.06Å; W412-F424 HydrophobicContact CZ3-CD2 4.43Å; W412-M427 HydrophobicContact CH2-CE 3.75Å; W412-M427 HydrophobicContact CZ2-CE 3.57Å
413	L	85.9	Confident	87	Confident	32 Å²	32	41.3 Å²	41.3	17%	0.168	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-26.1	-169.8	-57.7	177.2	0	0	0	114.6	F38 S381 L385 R408 L411 C415	F38-L413 HydrophobicContact CD1-CB 4.48Å; F38-L413 HydrophobicContact CE1-CB 3.46Å; F38-L413 VanDerWaalsContact CE1-CB 3.46Å; F38-L413 HydrophobicContact CE1-CD1 3.85Å; F38-L413 HydrophobicContact CE1-CG 4.3Å; F38-L413 HydrophobicContact CZ-CB 3.94Å; F38-L413 HydrophobicContact CZ-CD1 3.92Å; S381-L413 VanDerWaalsContact CB-CD2 3.5Å; S381-L413 WeakPolarHBondContact OG-CD2 3.45Å; L385-L413 HydrophobicContact CD1-CD1 4.47Å; R408-L413 HydrophobicContact CG-CD1 4.32Å; L411-L413 VanDerWaalsContact C-N 3.33Å; L411-L413 HydrophobicContact CB-CD2 3.72Å; L411-L413 HydrophobicContact CB-CG 4.04Å; L411-L413 HydrophobicContact CD1-CD2 4.47Å; L411-L413 PolarHBondContact O-N 2.8Å; L413-C415 VanDerWaalsContact C-N 3.27Å; L413-C415 PolarHBondContact O-N 2.83Å
414	E	83.5	Confident	87.3	Confident	150 Å²	150	41 Å²	41	70%	0.701	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-16.7	175	-51.1	-60.2	152.4	0	0	114.7	W412	W412-E414 PolarHBondContact O-N 2.59Å
415	C	84.4	Confident	87.4	Confident	12 Å²	12	40.8 Å²	40.8	8%	0.081	21%	0.212	C	C	.	.	S	Bend	trans	-89.1	154	-176.5	-61.7	0	0	0	0	111.3	R378 W412 L413 E419 R423	R378-C415 PolarHBondContact NH2-O 2.85Å; W412-C415 HydrophobicContact CB-CB 4.28Å; W412-C415 WeakPolarHBondContact O-CB 3.32Å; W412-C415 PolarHBondContact O-N 2.79Å; L413-C415 VanDerWaalsContact C-N 3.27Å; L413-C415 PolarHBondContact O-N 2.83Å; C415-E419 WeakPolarHBondContact CA-OE2 3.48Å; C415-E419 HydrophobicContact CB-CB 3.93Å; C415-R423 PolarHBondContact SG-NH1 3.46Å; C415-R423 VanDerWaalsContact SG-NH1 3.42Å; C415-R423 PolarHBondContact SG-NH2 3.22Å; C415-R423 VanDerWaalsContact SG-NH2 3.44Å
416	T	85.9	Confident	87.4	Confident	50 Å²	50	44.7 Å²	44.7	31%	0.307	21%	0.214	S	C	.	.			trans	-70.5	162.9	166.1	71.7	0	0	0	0	111.5	S418 E419 A420	T416-S418 PolarHBondContact O-N 3.01Å; T416-E419 PolarHBondContact N-OE2 3.15Å; T416-E419 VanDerWaalsContact N-OE2 3.08Å; T416-E419 PolarHBondContact O-N 3.11Å; T416-E419 WeakPolarHBondContact OG1-CG 3.4Å; T416-E419 PolarHBondContact OG1-N 3.14Å; T416-A420 WeakPolarHBondContact O-CB 3.37Å; T416-A420 PolarHBondContact O-N 2.9Å
417	D	86.9	Confident	87.4	Confident	48 Å²	48	41.9 Å²	41.9	26%	0.257	20%	0.204	S	C	.	.	H	α-helix	trans	-53.8	-36.9	174.7	-81.4	2.4	0	0	0	112.1	N375 K379 S421	N375-D417 PolarHBondContact ND2-O 3.09Å; N375-D417 VanDerWaalsContact ND2-O 3.07Å; K379-D417 IonicContact NZ-OD2 3.85Å; D417-S421 WeakPolarHBondContact O-CB 3.34Å; D417-S421 PolarHBondContact O-N 3.45Å; D417-S421 VanDerWaalsContact O-N 3.12Å; D417-S421 PolarHBondContact O-OG 3.35Å
418	S	83.8	Confident	87.3	Confident	2 Å²	2	42 Å²	42	1%	0.014	21%	0.205	C	C	.	.	H	α-helix	trans	-70.4	-49.2	178.7	-64.3	0	0	0	0	111.1	T416 A420 S421 V422 F606 M656	T416-S418 PolarHBondContact O-N 3.01Å; S418-A420 VanDerWaalsContact C-N 3.34Å; S418-A420 PolarHBondContact O-N 3.4Å; S418-S421 WeakPolarHBondContact O-CB 3.4Å; S418-S421 PolarHBondContact O-N 3.27Å; S418-S421 VanDerWaalsContact O-N 3.15Å; S418-V422 VanDerWaalsContact O-CG2 3.26Å; S418-V422 WeakPolarHBondContact O-CG2 2.83Å; S418-V422 PolarHBondContact O-N 2.97Å; S418-F606 VanDerWaalsContact O-CE2 3.29Å; S418-F606 WeakPolarHBondContact O-CE2 3.19Å; S418-M656 VanDerWaalsContact CB-SD 3.51Å
419	E	86.4	Confident	87	Confident	77 Å²	77	42 Å²	42	36%	0.36	21%	0.207	S	C	.	.	H	α-helix	trans	-61.2	-41.5	177.1	-73	179.9	151.3	0	0	112.5	C415 T416 S421 V422 R423 M656	C415-E419 WeakPolarHBondContact CA-OE2 3.48Å; C415-E419 HydrophobicContact CB-CB 3.93Å; T416-E419 PolarHBondContact N-OE2 3.15Å; T416-E419 VanDerWaalsContact N-OE2 3.08Å; T416-E419 PolarHBondContact O-N 3.11Å; T416-E419 WeakPolarHBondContact OG1-CG 3.4Å; T416-E419 PolarHBondContact OG1-N 3.14Å; E419-S421 VanDerWaalsContact C-N 3.31Å; E419-S421 PolarHBondContact O-N 3.03Å; E419-V422 WeakPolarHBondContact O-CB 3.37Å; E419-V422 PolarHBondContact O-N 3.42Å; E419-R423 WeakPolarHBondContact O-CG 3.45Å; E419-R423 PolarHBondContact O-N 3.46Å; E419-M656 HydrophobicContact CG-SD 4.29Å
420	A	89.3	Confident	86.7	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.6	-42.2	174.6	0	0	0	0	0	111.2	R378 W412 T416 S418 V422 R423 F424	R378-A420 VanDerWaalsContact CZ-CB 3.47Å; W412-A420 HydrophobicContact CE3-CB 4.22Å; W412-A420 WeakPolarHBondContact CZ3-O 3.13Å; T416-A420 WeakPolarHBondContact O-CB 3.37Å; T416-A420 PolarHBondContact O-N 2.9Å; S418-A420 VanDerWaalsContact C-N 3.34Å; S418-A420 PolarHBondContact O-N 3.4Å; A420-V422 PolarHBondContact O-N 3.39Å; A420-R423 PolarHBondContact O-N 3.35Å; A420-F424 WeakPolarHBondContact O-CB 3.46Å; A420-F424 PolarHBondContact O-N 2.93Å
421	S	90.3	Very high	86.3	Confident	13 Å²	13	43.8 Å²	43.8	9%	0.091	20%	0.203	C	C	.	.	H	α-helix	trans	-63.1	-40.8	175.9	-56.8	0	0	0	0	112.2	N375 D417 S418 E419 T425	N375-S421 PolarHBondContact ND2-OG 2.95Å; D417-S421 WeakPolarHBondContact O-CB 3.34Å; D417-S421 PolarHBondContact O-N 3.45Å; D417-S421 VanDerWaalsContact O-N 3.12Å; D417-S421 PolarHBondContact O-OG 3.35Å; S418-S421 WeakPolarHBondContact O-CB 3.4Å; S418-S421 PolarHBondContact O-N 3.27Å; S418-S421 VanDerWaalsContact O-N 3.15Å; E419-S421 VanDerWaalsContact C-N 3.31Å; E419-S421 PolarHBondContact O-N 3.03Å; S421-T425 WeakPolarHBondContact O-CB 3.49Å; S421-T425 PolarHBondContact O-N 3.4Å; S421-T425 PolarHBondContact O-OG1 3.32Å
422	V	86.5	Confident	85.7	Confident	34 Å²	34	45.1 Å²	45.1	21%	0.206	21%	0.21	C	C	.	.	H	α-helix	trans	-59.6	-50.4	174.2	-177.3	0	0	0	0	110.7	S418 E419 A420 F424 T425 R426 F606 N654	S418-V422 VanDerWaalsContact O-CG2 3.26Å; S418-V422 WeakPolarHBondContact O-CG2 2.83Å; S418-V422 PolarHBondContact O-N 2.97Å; E419-V422 WeakPolarHBondContact O-CB 3.37Å; E419-V422 PolarHBondContact O-N 3.42Å; A420-V422 PolarHBondContact O-N 3.39Å; V422-F424 PolarHBondContact O-N 3.48Å; V422-T425 PolarHBondContact O-N 2.89Å; V422-R426 PolarHBondContact O-N 2.97Å; V422-F606 HydrophobicContact CG2-CE2 3.39Å; V422-F606 HydrophobicContact CG2-CZ 3.75Å; V422-N654 WeakPolarHBondContact CG1-O 3.41Å; V422-N654 WeakPolarHBondContact CG2-O 3.19Å
423	R	89.1	Confident	84.9	Confident	124 Å²	124	51.9 Å²	51.9	47%	0.468	24%	0.236	S	C	.	.	H	α-helix	trans	-62.6	-44.2	-177.6	-71.2	-177	-174	-165	5.4	111.1	W412 C415 E419 A420 R426 M427	W412-R423 HydrophobicContact CD2-CB 4.45Å; W412-R423 HydrophobicContact CE3-CB 3.9Å; W412-R423 HydrophobicContact CH2-CB 3.47Å; W412-R423 VanDerWaalsContact CH2-CB 3.47Å; W412-R423 HydrophobicContact CZ2-CB 4.04Å; W412-R423 HydrophobicContact CZ3-CB 3.39Å; C415-R423 PolarHBondContact SG-NH1 3.46Å; C415-R423 VanDerWaalsContact SG-NH1 3.42Å; C415-R423 PolarHBondContact SG-NH2 3.22Å; C415-R423 VanDerWaalsContact SG-NH2 3.44Å; E419-R423 WeakPolarHBondContact O-CG 3.45Å; E419-R423 PolarHBondContact O-N 3.46Å; A420-R423 PolarHBondContact O-N 3.35Å; R423-R426 PolarHBondContact O-N 3.36Å; R423-M427 WeakPolarHBondContact O-CB 3.36Å; R423-M427 PolarHBondContact O-N 2.84Å
424	F	90.3	Very high	84.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-39.1	178.5	-159.4	-96.2	0	0	0	112.1	V294 Y297 F342 C370 L374 W412 A420 V422 R426 M427 I428	V294-F424 HydrophobicContact CG2-CE1 4.26Å; V294-F424 HydrophobicContact CG2-CZ 4.04Å; Y297-F424 HydrophobicContact CD1-CD2 4.16Å; Y297-F424 AromaticContact CD1-CE2 3.54Å; Y297-F424 HydrophobicContact CD1-CE2 3.54Å; Y297-F424 HydrophobicContact CE1-CD2 4.16Å; Y297-F424 HydrophobicContact CE1-CE2 4Å; Y297-F424 AromaticContact CG-CE2 3.85Å; Y297-F424 HydrophobicContact CG-CE2 3.85Å; F342-F424 HydrophobicContact CD1-CE2 4.47Å; F342-F424 HydrophobicContact CD1-CZ 4.18Å; F342-F424 HydrophobicContact CE1-CE1 4.3Å; F342-F424 HydrophobicContact CE1-CE2 4.07Å; F342-F424 AromaticContact CE1-CZ 3.72Å; F342-F424 HydrophobicContact CE1-CZ 3.72Å; F342-F424 HydrophobicContact CZ-CE1 4.39Å; F342-F424 HydrophobicContact CZ-CZ 4.19Å; C370-F424 HydrophobicContact CB-CD1 3.92Å; C370-F424 HydrophobicContact CB-CE1 3.54Å; L374-F424 HydrophobicContact CD2-CB 3.89Å; L374-F424 HydrophobicContact CD2-CD2 3.66Å; L374-F424 HydrophobicContact CD2-CE2 4.46Å; L374-F424 HydrophobicContact CD2-CG 3.89Å; W412-F424 HydrophobicContact CH2-CB 4.39Å; W412-F424 HydrophobicContact CH2-CD2 4.38Å; W412-F424 HydrophobicContact CZ3-CB 4.06Å; W412-F424 HydrophobicContact CZ3-CD2 4.43Å; A420-F424 WeakPolarHBondContact O-CB 3.46Å; A420-F424 PolarHBondContact O-N 2.93Å; V422-F424 PolarHBondContact O-N 3.48Å; F424-R426 PolarHBondContact O-N 3.17Å; F424-M427 HydrophobicContact CD2-SD 4.38Å; F424-M427 HydrophobicContact CE2-SD 4.36Å; F424-M427 VanDerWaalsContact O-CB 3.27Å; F424-M427 WeakPolarHBondContact O-CB 3.12Å; F424-M427 PolarHBondContact O-N 3.18Å; F424-M427 VanDerWaalsContact O-N 3.15Å; F424-I428 HydrophobicContact CD1-CD1 3.75Å; F424-I428 HydrophobicContact CD1-CG1 4.07Å; F424-I428 HydrophobicContact CE1-CD1 3.78Å; F424-I428 HydrophobicContact CE1-CG1 3.91Å; F424-I428 WeakPolarHBondContact O-CG1 3.22Å; F424-I428 PolarHBondContact O-N 3.12Å
425	T	87.7	Confident	83.2	Confident	6 Å²	6	52.9 Å²	52.9	4%	0.037	24%	0.24	C	C	.	.	H	α-helix	trans	-61	-46.5	175.5	-58.8	0	0	0	0	111.7	V367 S421 V422 M427 I428 E429 T652 N654	V367-T425 HydrophobicContact CG1-CG2 3.91Å; S421-T425 WeakPolarHBondContact O-CB 3.49Å; S421-T425 PolarHBondContact O-N 3.4Å; S421-T425 PolarHBondContact O-OG1 3.32Å; V422-T425 PolarHBondContact O-N 2.89Å; T425-M427 PolarHBondContact O-N 2.99Å; T425-I428 WeakPolarHBondContact O-CB 3.47Å; T425-I428 PolarHBondContact O-N 3.37Å; T425-I428 VanDerWaalsContact O-N 3.16Å; T425-E429 PolarHBondContact O-N 2.93Å; T425-T652 HydrophobicContact CG2-CG2 3.62Å; T425-N654 HydrophobicContact CG2-CB 4Å; T425-N654 WeakPolarHBondContact CG2-ND2 3Å; T425-N654 PolarHBondContact OG1-ND2 2.92Å
426	R	86.3	Confident	82.3	Confident	141 Å²	141	57 Å²	57	53%	0.532	26%	0.257	S	S	.	.	H	α-helix	trans	-58.9	-39.3	175.6	-178.5	179	173.8	171.7	1.9	111.3	V422 R423 F424 E429 E430	V422-R426 PolarHBondContact O-N 2.97Å; R423-R426 PolarHBondContact O-N 3.36Å; F424-R426 PolarHBondContact O-N 3.17Å; R426-E429 PolarHBondContact O-N 3.44Å; R426-E430 HydrophobicContact CG-CG 4.42Å; R426-E430 WeakPolarHBondContact CG-OE1 3.47Å; R426-E430 IonicContact CZ-OE1 2.71Å; R426-E430 IonicContact NE-OE1 2.71Å; R426-E430 PolarHBondContact NE-OE1 2.81Å; R426-E430 IonicContact NH2-OE1 3.55Å; R426-E430 PolarHBondContact NH2-OE1 3.21Å; R426-E430 WeakPolarHBondContact O-CB 3.31Å; R426-E430 WeakPolarHBondContact O-CG 3.33Å; R426-E430 PolarHBondContact O-N 2.88Å
427	M	86.7	Confident	81.2	Confident	30 Å²	30	55 Å²	55	15%	0.148	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-40.3	176.9	-169.4	-178.1	-75.2	0	0	112.7	Y297 P341 F342 W412 R423 F424 T425 E430 T431	Y297-M427 HydrophobicContact CD2-CE 4.35Å; Y297-M427 HydrophobicContact CD2-SD 3.71Å; Y297-M427 HydrophobicContact CE2-CE 3.5Å; Y297-M427 HydrophobicContact CE2-SD 3.46Å; Y297-M427 WeakPolarHBondContact CE2-SD 3.23Å; Y297-M427 HydrophobicContact CG-SD 4.46Å; P341-M427 HydrophobicContact CB-CE 4.34Å; P341-M427 HydrophobicContact CB-CG 3.95Å; P341-M427 HydrophobicContact CB-SD 3.43Å; P341-M427 WeakPolarHBondContact CB-SD 3.49Å; P341-M427 HydrophobicContact CG-CE 4.49Å; P341-M427 HydrophobicContact CG-CG 3.2Å; P341-M427 HydrophobicContact CG-SD 3.42Å; P341-M427 WeakPolarHBondContact CG-SD 3.48Å; F342-M427 HydrophobicContact CD1-SD 4.34Å; F342-M427 HydrophobicContact CE1-CG 3.92Å; F342-M427 HydrophobicContact CE1-SD 3.91Å; W412-M427 HydrophobicContact CH2-CE 3.75Å; W412-M427 HydrophobicContact CZ2-CE 3.57Å; R423-M427 WeakPolarHBondContact O-CB 3.36Å; R423-M427 PolarHBondContact O-N 2.84Å; F424-M427 HydrophobicContact CD2-SD 4.38Å; F424-M427 HydrophobicContact CE2-SD 4.36Å; F424-M427 VanDerWaalsContact O-CB 3.27Å; F424-M427 WeakPolarHBondContact O-CB 3.12Å; F424-M427 PolarHBondContact O-N 3.18Å; F424-M427 VanDerWaalsContact O-N 3.15Å; T425-M427 PolarHBondContact O-N 2.99Å; M427-E430 PolarHBondContact O-N 3.25Å; M427-T431 WeakPolarHBondContact O-CB 3.35Å; M427-T431 PolarHBondContact O-N 3.47Å; M427-T431 PolarHBondContact O-OG1 3.47Å
428	I	86.3	Confident	80	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-59.5	-47.8	171.5	-66.1	166.8	0	0	0	110.4	F342 L344 F363 V367 C370 F424 T425 E430 T431 L432	F342-I428 HydrophobicContact CE1-CG1 4.48Å; F342-I428 HydrophobicContact CE2-CG1 4.25Å; F342-I428 HydrophobicContact CZ-CB 4.24Å; F342-I428 HydrophobicContact CZ-CG1 3.55Å; L344-I428 HydrophobicContact CD2-CG2 3.74Å; F363-I428 HydrophobicContact CE2-CG2 3.88Å; F363-I428 HydrophobicContact CZ-CG2 3.84Å; V367-I428 HydrophobicContact CB-CD1 4.41Å; V367-I428 HydrophobicContact CG1-CD1 4.36Å; V367-I428 HydrophobicContact CG2-CD1 3.98Å; V367-I428 HydrophobicContact CG2-CG2 4.43Å; C370-I428 HydrophobicContact CB-CD1 4.11Å; F424-I428 HydrophobicContact CD1-CD1 3.75Å; F424-I428 HydrophobicContact CD1-CG1 4.07Å; F424-I428 HydrophobicContact CE1-CD1 3.78Å; F424-I428 HydrophobicContact CE1-CG1 3.91Å; F424-I428 WeakPolarHBondContact O-CG1 3.22Å; F424-I428 PolarHBondContact O-N 3.12Å; T425-I428 WeakPolarHBondContact O-CB 3.47Å; T425-I428 PolarHBondContact O-N 3.37Å; T425-I428 VanDerWaalsContact O-N 3.16Å; I428-E430 PolarHBondContact O-N 3.04Å; I428-T431 PolarHBondContact O-N 3.45Å; I428-L432 HydrophobicContact CG2-CD1 4.14Å; I428-L432 WeakPolarHBondContact O-CG 3.24Å; I428-L432 PolarHBondContact O-N 3.37Å
429	E	82.1	Confident	78.9	Confident	57 Å²	57	60.4 Å²	60.4	27%	0.266	27%	0.27	S	S	.	.	H	α-helix	trans	-63.3	-41.1	179.1	-67.3	-172.9	179.2	0	0	113	T425 R426 L432 R433	T425-E429 PolarHBondContact O-N 2.93Å; R426-E429 PolarHBondContact O-N 3.44Å; E429-L432 PolarHBondContact O-N 3.14Å; E429-R433 VanDerWaalsContact O-CG 3.32Å; E429-R433 WeakPolarHBondContact O-CG 3.41Å; E429-R433 PolarHBondContact O-N 2.95Å; E429-R433 IonicContact OE2-NH2 3.25Å; E429-R433 PolarHBondContact OE2-NH2 3.43Å; E429-R433 VanDerWaalsContact OE2-NH2 3.14Å
430	E	80.7	Confident	77.8	Confident	95 Å²	95	58.1 Å²	58.1	44%	0.444	26%	0.26	S	S	.	.	H	α-helix	trans	-65.8	-39.7	177	-74.4	173.8	-177.7	0	0	111.3	R426 M427 I428 R433 S434	R426-E430 HydrophobicContact CG-CG 4.42Å; R426-E430 WeakPolarHBondContact CG-OE1 3.47Å; R426-E430 IonicContact CZ-OE1 2.71Å; R426-E430 IonicContact NE-OE1 2.71Å; R426-E430 PolarHBondContact NE-OE1 2.81Å; R426-E430 IonicContact NH2-OE1 3.55Å; R426-E430 PolarHBondContact NH2-OE1 3.21Å; R426-E430 WeakPolarHBondContact O-CB 3.31Å; R426-E430 WeakPolarHBondContact O-CG 3.33Å; R426-E430 PolarHBondContact O-N 2.88Å; M427-E430 PolarHBondContact O-N 3.25Å; I428-E430 PolarHBondContact O-N 3.04Å; E430-R433 PolarHBondContact O-N 3.26Å; E430-S434 PolarHBondContact O-N 2.92Å; E430-S434 VanDerWaalsContact O-N 3.16Å
431	T	81.3	Confident	76.7	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.018	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-43.5	174.8	-57.9	0	0	0	0	111.3	V340 P341 F342 L344 M427 I428 R433 S434	V340-T431 HydrophobicContact CB-CG2 4.24Å; V340-T431 HydrophobicContact CG1-CG2 4.34Å; P341-T431 WeakPolarHBondContact CD-OG1 3.31Å; F342-T431 HydrophobicContact CE2-CG2 4.36Å; F342-T431 WeakPolarHBondContact O-CG2 3.4Å; L344-T431 HydrophobicContact CB-CG2 4.1Å; M427-T431 WeakPolarHBondContact O-CB 3.35Å; M427-T431 PolarHBondContact O-N 3.47Å; M427-T431 PolarHBondContact O-OG1 3.47Å; I428-T431 PolarHBondContact O-N 3.45Å; T431-R433 PolarHBondContact O-N 3Å; T431-S434 VanDerWaalsContact O-CB 3.28Å; T431-S434 WeakPolarHBondContact O-CB 3.47Å; T431-S434 PolarHBondContact O-N 3.15Å
432	L	77.5	Confident	75.3	Confident	28 Å²	28	61 Å²	61	15%	0.147	27%	0.274	C	S	.	.	H	α-helix	trans	-69.1	-30.5	177.6	-72.9	173.4	0	0	0	113.7	L344 L349 F363 I428 E429 S434	L344-L432 HydrophobicContact CD2-CD1 4.14Å; L344-L432 HydrophobicContact CD2-CD2 3.76Å; L344-L432 HydrophobicContact CD2-CG 3.87Å; L344-L432 HydrophobicContact CG-CD2 3.77Å; L344-L432 HydrophobicContact CG-CG 4.39Å; L349-L432 HydrophobicContact CB-CD2 4.11Å; L349-L432 HydrophobicContact CD1-CD1 4.42Å; L349-L432 HydrophobicContact CD2-CD1 4.02Å; L349-L432 HydrophobicContact CD2-CD2 3.91Å; L349-L432 HydrophobicContact CG-CD2 4.46Å; F363-L432 HydrophobicContact CE2-CD1 3.56Å; F363-L432 HydrophobicContact CZ-CD1 3.75Å; I428-L432 HydrophobicContact CG2-CD1 4.14Å; I428-L432 WeakPolarHBondContact O-CG 3.24Å; I428-L432 PolarHBondContact O-N 3.37Å; E429-L432 PolarHBondContact O-N 3.14Å; L432-S434 PolarHBondContact O-N 2.75Å
433	R	72	Confident	74	Confident	187 Å²	187	62.1 Å²	62.1	71%	0.706	28%	0.281	S	S	*	.	H	α-helix	trans	-73.6	-20.9	173.9	-71	174.9	-167	162.7	14.1	112.2	E429 E430 T431 K435	E429-R433 VanDerWaalsContact O-CG 3.32Å; E429-R433 WeakPolarHBondContact O-CG 3.41Å; E429-R433 PolarHBondContact O-N 2.95Å; E429-R433 IonicContact OE2-NH2 3.25Å; E429-R433 PolarHBondContact OE2-NH2 3.43Å; E429-R433 VanDerWaalsContact OE2-NH2 3.14Å; E430-R433 PolarHBondContact O-N 3.26Å; T431-R433 PolarHBondContact O-N 3Å; R433-K435 PolarHBondContact O-N 3.28Å
434	S	69.1	Low	72.8	Confident	30 Å²	30	57.6 Å²	57.6	21%	0.21	27%	0.265	C	S	.	.			trans	-75.8	122.4	-177.8	-174.3	0	0	0	0	111.6	E430 T431 L432 F436 P437	E430-S434 PolarHBondContact O-N 2.92Å; E430-S434 VanDerWaalsContact O-N 3.16Å; T431-S434 VanDerWaalsContact O-CB 3.28Å; T431-S434 WeakPolarHBondContact O-CB 3.47Å; T431-S434 PolarHBondContact O-N 3.15Å; L432-S434 PolarHBondContact O-N 2.75Å; S434-F436 VanDerWaalsContact C-N 3.27Å; S434-F436 WeakPolarHBondContact OG-CB 3.5Å; S434-F436 WeakPolarHBondContact OG-CD2 3.43Å; S434-F436 PolarHBondContact OG-N 3.1Å; S434-P437 WeakPolarHBondContact O-CD 3.12Å
435	K	64.8	Low	71.2	Confident	172 Å²	172	57.8 Å²	57.8	75%	0.748	27%	0.267	S	S	*	.			trans	-83	-4.6	170.8	-63.5	-173.8	-179.8	-180	0	113	R433 K438 L439	R433-K435 PolarHBondContact O-N 3.28Å; K435-K438 PolarHBondContact O-N 3.38Å; K435-L439 PolarHBondContact O-N 3.24Å; K435-L439 VanDerWaalsContact O-N 3.1Å
436	F	65.3	Low	69.8	Low	100 Å²	100	61.3 Å²	61.3	44%	0.439	29%	0.288	S	S	.	.	H	α-helix	trans	-60.4	-42.2	-175.5	-76.6	-74.3	0	0	0	113.9	S434 K438 L439 N440	S434-F436 VanDerWaalsContact C-N 3.27Å; S434-F436 WeakPolarHBondContact OG-CB 3.5Å; S434-F436 WeakPolarHBondContact OG-CD2 3.43Å; S434-F436 PolarHBondContact OG-N 3.1Å; F436-K438 PolarHBondContact O-N 3.04Å; F436-L439 PolarHBondContact O-N 2.74Å; F436-N440 PolarHBondContact O-N 3.32Å
437	P	62.6	Low	68.5	Low	8 Å²	8	59.8 Å²	59.8	5%	0.052	29%	0.294	C	S	.	.	H	α-helix	trans	-58.2	-47	177.6	-26.7	36.4	0	0	0	112.1	V340 L343 T345 S434 L439 N440 F441	V340-P437 HydrophobicContact CB-CG 4.44Å; V340-P437 HydrophobicContact CG1-CG 3.83Å; V340-P437 HydrophobicContact CG2-CG 3.92Å; L343-P437 HydrophobicContact CD1-CB 4.15Å; T345-P437 HydrophobicContact CG2-CB 3.78Å; S434-P437 WeakPolarHBondContact O-CD 3.12Å; P437-L439 VanDerWaalsContact C-N 3.32Å; P437-L439 PolarHBondContact O-N 3.19Å; P437-N440 PolarHBondContact O-N 3.25Å; P437-F441 HydrophobicContact CB-CE2 4.47Å; P437-F441 HydrophobicContact CB-CZ 4.28Å; P437-F441 WeakPolarHBondContact O-CB 3.33Å; P437-F441 WeakPolarHBondContact O-CD1 3.4Å; P437-F441 WeakPolarHBondContact O-CD2 3.31Å; P437-F441 WeakPolarHBondContact O-CG 3.43Å; P437-F441 PolarHBondContact O-N 3.45Å
438	K	62.8	Low	67	Low	62 Å²	62	60.7 Å²	60.7	27%	0.27	30%	0.298	S	S	.	.	H	α-helix	trans	-61	-39	176.5	-76.8	-176.6	167.8	178.5	0	112.9	D346 K435 F436 L442	D346-K438 VanDerWaalsContact CB-NZ 3.34Å; D346-K438 WeakPolarHBondContact OD2-CE 3.44Å; D346-K438 IonicContact OD2-NZ 3.85Å; D346-K438 PolarHBondContact OD2-NZ 2.94Å; K435-K438 PolarHBondContact O-N 3.38Å; F436-K438 PolarHBondContact O-N 3.04Å; K438-L442 WeakPolarHBondContact O-CB 3.35Å; K438-L442 PolarHBondContact O-N 3.5Å
439	L	60	Low	65.4	Low	100 Å²	100	62.8 Å²	62.8	52%	0.524	31%	0.313	S	S	.	.	H	α-helix	trans	-66.3	-45.9	175.7	-176.6	67.3	0	0	0	111.1	K435 F436 P437 F441 L442 V443	K435-L439 PolarHBondContact O-N 3.24Å; K435-L439 VanDerWaalsContact O-N 3.1Å; F436-L439 PolarHBondContact O-N 2.74Å; P437-L439 VanDerWaalsContact C-N 3.32Å; P437-L439 PolarHBondContact O-N 3.19Å; L439-F441 VanDerWaalsContact C-N 3.3Å; L439-F441 PolarHBondContact O-N 3.05Å; L439-L442 PolarHBondContact O-N 2.71Å; L439-V443 WeakPolarHBondContact O-CG2 3.16Å; L439-V443 PolarHBondContact O-N 3.43Å
440	N	62.8	Low	63.4	Low	29 Å²	29	63.4 Å²	63.4	16%	0.155	34%	0.335	C	S	.	.	H	α-helix	trans	-59.3	-46	177.1	-163.6	34.5	0	0	0	110.1	F436 P437 L442 V443 H444	F436-N440 PolarHBondContact O-N 3.32Å; P437-N440 PolarHBondContact O-N 3.25Å; N440-L442 VanDerWaalsContact C-N 3.33Å; N440-L442 PolarHBondContact O-N 2.81Å; N440-V443 PolarHBondContact O-N 3.36Å; N440-H444 PolarHBondContact O-CD2 3.2Å; N440-H444 PolarHBondContact O-N 3.39Å; N440-H444 PolarHBondContact OD1-CD2 2.58Å; N440-H444 PolarHBondContact OD1-NE2 2.91Å
441	F	66.9	Low	61.5	Low	5 Å²	5	64 Å²	64	2%	0.022	33%	0.333	C	S	.	.	H	α-helix	trans	-57.2	-43.6	175.4	-62.9	-11.9	0	0	0	113.4	V258 H305 N306 L343 T345 P437 L439 H444 A445	V258-F441 HydrophobicContact CG1-CB 3.67Å; V258-F441 HydrophobicContact CG1-CD2 4.32Å; H305-F441 HydrophobicContact CB-CD1 4.27Å; N306-F441 HydrophobicContact CB-CD1 4.39Å; N306-F441 HydrophobicContact CB-CG 4.42Å; N306-F441 VanDerWaalsContact CG-CD2 3.41Å; N306-F441 VanDerWaalsContact ND2-CB 3.28Å; N306-F441 WeakPolarHBondContact ND2-CB 3.41Å; N306-F441 WeakPolarHBondContact ND2-CD2 3.27Å; N306-F441 WeakPolarHBondContact ND2-CG 3.49Å; N306-F441 WeakPolarHBondContact OD1-CD1 3.46Å; N306-F441 WeakPolarHBondContact OD1-CD2 3.42Å; N306-F441 WeakPolarHBondContact OD1-CE1 3.43Å; N306-F441 WeakPolarHBondContact OD1-CE2 3.44Å; N306-F441 VanDerWaalsContact OD1-CG 3.27Å; N306-F441 WeakPolarHBondContact OD1-CG 3.33Å; N306-F441 WeakPolarHBondContact OD1-CZ 3.36Å; L343-F441 HydrophobicContact CD1-CE1 3.65Å; L343-F441 HydrophobicContact CD1-CE2 4.44Å; L343-F441 HydrophobicContact CD1-CZ 3.29Å; L343-F441 HydrophobicContact CD2-CE1 4.43Å; L343-F441 HydrophobicContact CD2-CZ 3.92Å; L343-F441 HydrophobicContact CG-CZ 4.04Å; T345-F441 HydrophobicContact CG2-CD2 4.38Å; T345-F441 HydrophobicContact CG2-CE2 3.27Å; T345-F441 HydrophobicContact CG2-CZ 3.6Å; P437-F441 HydrophobicContact CB-CE2 4.47Å; P437-F441 HydrophobicContact CB-CZ 4.28Å; P437-F441 WeakPolarHBondContact O-CB 3.33Å; P437-F441 WeakPolarHBondContact O-CD1 3.4Å; P437-F441 WeakPolarHBondContact O-CD2 3.31Å; P437-F441 WeakPolarHBondContact O-CG 3.43Å; P437-F441 PolarHBondContact O-N 3.45Å; L439-F441 VanDerWaalsContact C-N 3.3Å; L439-F441 PolarHBondContact O-N 3.05Å; F441-H444 PolarHBondContact O-N 2.91Å; F441-A445 VanDerWaalsContact O-CB 3.28Å; F441-A445 WeakPolarHBondContact O-CB 3.37Å; F441-A445 PolarHBondContact O-N 3.27Å
442	L	60	Low	59.1	Low	68 Å²	68	75.7 Å²	75.7	36%	0.356	38%	0.377	S	S	.	.	H	α-helix	trans	-64.7	-42.8	177.2	-172.7	149.9	0	0	0	111	L259 K438 L439 N440 A445 V446	L259-L442 HydrophobicContact CD2-CD1 4.33Å; K438-L442 WeakPolarHBondContact O-CB 3.35Å; K438-L442 PolarHBondContact O-N 3.5Å; L439-L442 PolarHBondContact O-N 2.71Å; N440-L442 VanDerWaalsContact C-N 3.33Å; N440-L442 PolarHBondContact O-N 2.81Å; L442-A445 PolarHBondContact O-N 3.27Å; L442-V446 HydrophobicContact CD2-CG2 3.94Å; L442-V446 HydrophobicContact CG-CG2 4.5Å; L442-V446 WeakPolarHBondContact O-CB 3.39Å; L442-V446 VanDerWaalsContact O-CG2 3.22Å; L442-V446 WeakPolarHBondContact O-CG2 3.47Å; L442-V446 PolarHBondContact O-N 2.9Å
443	V	60.2	Low	56.8	Low	59 Å²	59	79 Å²	79	36%	0.358	40%	0.402	S	S	.	.	H	α-helix	trans	-62	-47.9	176	172.3	0	0	0	0	110.8	L439 N440 A445 V446 V447	L439-V443 WeakPolarHBondContact O-CG2 3.16Å; L439-V443 PolarHBondContact O-N 3.43Å; N440-V443 PolarHBondContact O-N 3.36Å; V443-A445 VanDerWaalsContact C-N 3.34Å; V443-A445 PolarHBondContact O-N 2.95Å; V443-V446 PolarHBondContact O-N 3.14Å; V443-V447 HydrophobicContact CG1-CG2 4.18Å; V443-V447 WeakPolarHBondContact O-CB 3.42Å; V443-V447 VanDerWaalsContact O-CG2 3.24Å; V443-V447 WeakPolarHBondContact O-CG2 3.48Å; V443-V447 PolarHBondContact O-N 3.32Å
444	H	62.8	Low	54.6	Low	28 Å²	28	77.5 Å²	77.5	13%	0.13	41%	0.407	C	S	.	.	H	α-helix	trans	-62.2	-40.4	177.2	-82.6	-94.7	0	0	0	112	H305 R337 N440 F441 Q448	H305-H444 HydrophobicContact CB-CB 4.48Å; H305-H444 AromaticContact CD2-CE1 3.47Å; H305-H444 PolarHBondContact CD2-CE1 3.44Å; H305-H444 VanDerWaalsContact CD2-CE1 3.47Å; H305-H444 AromaticContact CD2-ND1 3.76Å; H305-H444 AromaticContact CD2-NE2 3.97Å; H305-H444 AromaticContact CG-CE1 3.84Å; H305-H444 AromaticContact CG-CG 4Å; H305-H444 AromaticContact CG-ND1 3.73Å; H305-H444 AromaticContact ND1-ND1 3.89Å; H305-H444 AromaticContact NE2-CE1 3.82Å; H305-H444 AromaticContact NE2-ND1 3.96Å; R337-H444 PolarHBondContact NH2-NE2 2.82Å; N440-H444 PolarHBondContact O-CD2 3.2Å; N440-H444 PolarHBondContact O-N 3.39Å; N440-H444 PolarHBondContact OD1-CD2 2.58Å; N440-H444 PolarHBondContact OD1-NE2 2.91Å; F441-H444 PolarHBondContact O-N 2.91Å; H444-Q448 WeakPolarHBondContact O-CB 3.36Å; H444-Q448 WeakPolarHBondContact O-CG 3.45Å; H444-Q448 PolarHBondContact O-N 2.88Å; H444-Q448 PolarHBondContact O-NE2 3.17Å
445	A	57.5	Low	52.7	Low	5 Å²	5	82 Å²	82	4%	0.041	44%	0.438	C	S	.	.	H	α-helix	trans	-62	-49	174.3	0	0	0	0	0	111.2	V258 F441 L442 V443 Q448 S449	V258-A445 HydrophobicContact CG2-CB 4.26Å; F441-A445 VanDerWaalsContact O-CB 3.28Å; F441-A445 WeakPolarHBondContact O-CB 3.37Å; F441-A445 PolarHBondContact O-N 3.27Å; L442-A445 PolarHBondContact O-N 3.27Å; V443-A445 VanDerWaalsContact C-N 3.34Å; V443-A445 PolarHBondContact O-N 2.95Å; A445-Q448 PolarHBondContact O-N 2.97Å; A445-S449 WeakPolarHBondContact O-CB 3.38Å; A445-S449 PolarHBondContact O-N 3.39Å; A445-S449 PolarHBondContact O-OG 3.49Å
446	V	57.6	Low	51	Low	79 Å²	79	80 Å²	80	48%	0.479	44%	0.441	S	S	.	.	H	α-helix	trans	-63.7	-48	-179	169.8	0	0	0	0	112.2	V255 L442 V443 Q448 S449	V255-V446 HydrophobicContact CG1-CG2 4.47Å; L442-V446 HydrophobicContact CD2-CG2 3.94Å; L442-V446 HydrophobicContact CG-CG2 4.5Å; L442-V446 WeakPolarHBondContact O-CB 3.39Å; L442-V446 VanDerWaalsContact O-CG2 3.22Å; L442-V446 WeakPolarHBondContact O-CG2 3.47Å; L442-V446 PolarHBondContact O-N 2.9Å; V443-V446 PolarHBondContact O-N 3.14Å; V446-Q448 PolarHBondContact O-N 3.41Å; V446-S449 PolarHBondContact O-N 2.96Å
447	V	59.8	Low	49.3	Very low	109 Å²	109	80.8 Å²	80.8	66%	0.661	46%	0.455	S	S	*	.	H	α-helix	trans	-56.8	-38.3	179.6	168.1	0	0	0	0	110.7	V443	V443-V447 HydrophobicContact CG1-CG2 4.18Å; V443-V447 WeakPolarHBondContact O-CB 3.42Å; V443-V447 VanDerWaalsContact O-CG2 3.24Å; V443-V447 WeakPolarHBondContact O-CG2 3.48Å; V443-V447 PolarHBondContact O-N 3.32Å
448	Q	55.8	Low	47.6	Very low	49 Å²	49	85.3 Å²	85.3	23%	0.229	49%	0.488	C	S	.	.	H	α-helix	trans	-88.9	-14.5	-179.5	-65.4	-176.8	57.3	0	0	113.4	L176 D307 H444 A445 V446 G450	L176-Q448 HydrophobicContact CD2-CG 4.48Å; D307-Q448 PolarHBondContact OD2-NE2 2.89Å; H444-Q448 WeakPolarHBondContact O-CB 3.36Å; H444-Q448 WeakPolarHBondContact O-CG 3.45Å; H444-Q448 PolarHBondContact O-N 2.88Å; H444-Q448 PolarHBondContact O-NE2 3.17Å; A445-Q448 PolarHBondContact O-N 2.97Å; V446-Q448 PolarHBondContact O-N 3.41Å; Q448-G450 VanDerWaalsContact C-N 3.31Å; Q448-G450 PolarHBondContact O-N 3.43Å
449	S	51.3	Low	46.1	Very low	45 Å²	45	90.7 Å²	90.7	32%	0.315	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	1.9	178	-75.7	0	0	0	0	114.5	V255 A445 V446 R451	V255-S449 WeakPolarHBondContact CG2-OG 3.39Å; A445-S449 WeakPolarHBondContact O-CB 3.38Å; A445-S449 PolarHBondContact O-N 3.39Å; A445-S449 PolarHBondContact O-OG 3.49Å; V446-S449 PolarHBondContact O-N 2.96Å; S449-R451 PolarHBondContact O-N 3.27Å
450	G	41.1	Very low	44.5	Very low	71 Å²	71	95.2 Å²	95.2	73%	0.732	53%	0.532	S	S	*	.	S	Bend	trans	-61.7	8.9	171.3	0	0	0	0	0	115.9	Q448	Q448-G450 VanDerWaalsContact C-N 3.31Å; Q448-G450 PolarHBondContact O-N 3.43Å
451	R	40.2	Very low	42.9	Very low	107 Å²	107	99.9 Å²	99.9	40%	0.404	56%	0.561	S	S	.	*	S	Bend	trans	-137.5	100.3	175.5	-77.1	-174.3	168.4	136.2	2.3	112.6	W173 N174 S449	W173-R451 HydrophobicContact CH2-CB 4.45Å; N174-R451 PolarHBondContact O-NH1 3.35Å; N174-R451 PolarHBondContact O-NH2 3.09Å; S449-R451 PolarHBondContact O-N 3.27Å
452	R	30.4	Very low	41	Very low	248 Å²	248	105 Å²	105	94%	0.936	59%	0.588	S	S	*	*			trans	75.3	137.6	154.3	-69.2	-175.6	171.9	168.6	-2.1	120.9
453	S	29	Very low	39.7	Very low	98 Å²	98	105.5 Å²	105.5	69%	0.685	60%	0.598	S	S	*	*			trans	-62.6	134.3	-174.8	48.3	0	0	0	0	115.9
454	I	26.7	Very low	38.4	Very low	156 Å²	156	108.2 Å²	108.2	80%	0.8	61%	0.605	S	S	*	*				70	109.5	99.4	-56.9	160.1	0	0	0	114.8
455	S	28.2	Very low	37	Very low	124 Å²	124	112.3 Å²	112.3	87%	0.867	63%	0.632	S	S	*	*				-152.3	137.4	128.5	56.6	0	0	0	0	109.9
456	T	29.6	Very low	35.8	Very low	131 Å²	131	117.5 Å²	117.5	80%	0.804	67%	0.665	S	S	*	*			trans	-104.9	170.3	-172.2	14.9	0	0	0	0	111.2
457	P	31.2	Very low	35	Very low	115 Å²	115	123.5 Å²	123.5	75%	0.747	68%	0.679	S	S	*	*			trans	-113.9	161.7	-131.4	41.4	-31.3	0	0	0	113.7
458	S	26.9	Very low	33.9	Very low	104 Å²	104	125.3 Å²	125.3	73%	0.727	69%	0.69	S	S	*	*			trans	-164.7	121.5	156.1	64.1	0	0	0	0	112.1
459	Q	29.9	Very low	33.7	Very low	174 Å²	174	126 Å²	126	81%	0.813	70%	0.695	S	S	*	*				154	112.3	122.3	-85.8	179.7	-15.5	0	0	110.3	V461	Q459-V461 PolarHBondContact O-N 2.84Å
460	Q	27.8	Very low	33.8	Very low	196 Å²	196	130.8 Å²	130.8	92%	0.916	72%	0.722	S	S	*	*			trans	-62.7	124.4	162.6	-71.9	169.5	-40.7	0	0	108.1
461	V	29.2	Very low	34.6	Very low	126 Å²	126	128 Å²	128	76%	0.764	69%	0.694	S	S	*	*			trans	-114.2	112.6	171.2	178.4	0	0	0	0	107.3	Q459	Q459-V461 PolarHBondContact O-N 2.84Å
462	L	26.7	Very low	36.1	Very low	113 Å²	113	128 Å²	128	59%	0.592	69%	0.694	S	S	*	*			trans	-79.6	120.2	159.2	-77.7	161.7	0	0	0	107.1	F464	L462-F464 HydrophobicContact CB-CD2 4.24Å; L462-F464 HydrophobicContact CB-CE2 3.48Å; L462-F464 VanDerWaalsContact CB-CE2 3.48Å; L462-F464 HydrophobicContact CB-CZ 3.76Å; L462-F464 HydrophobicContact CD1-CE2 4.4Å; L462-F464 HydrophobicContact CD1-CZ 4.03Å; L462-F464 HydrophobicContact CG-CZ 4.45Å; L462-F464 WeakPolarHBondContact O-CD2 3.48Å
463	S	31.1	Very low	38.2	Very low	79 Å²	79	116.3 Å²	116.3	55%	0.552	65%	0.65	S	S	*	*			trans	-83.3	120.4	172.3	61.3	0	0	0	0	109.9
464	F	34.8	Very low	40.5	Very low	116 Å²	116	116.6 Å²	116.6	51%	0.509	64%	0.639	S	S	.	*			trans	-107.6	122.9	176.5	-64.7	-83.2	0	0	0	109.8	L462 T571	L462-F464 HydrophobicContact CB-CD2 4.24Å; L462-F464 HydrophobicContact CB-CE2 3.48Å; L462-F464 VanDerWaalsContact CB-CE2 3.48Å; L462-F464 HydrophobicContact CB-CZ 3.76Å; L462-F464 HydrophobicContact CD1-CE2 4.4Å; L462-F464 HydrophobicContact CD1-CZ 4.03Å; L462-F464 HydrophobicContact CG-CZ 4.45Å; L462-F464 WeakPolarHBondContact O-CD2 3.48Å; F464-T571 HydrophobicContact CD1-CG2 3.54Å; F464-T571 HydrophobicContact CE1-CG2 3.87Å
465	V	33.1	Very low	42.9	Very low	114 Å²	114	110.6 Å²	110.6	69%	0.691	61%	0.61	S	S	*	*			trans	-96.9	111.1	165	179.6	0	0	0	0	107.2	R467	V465-R467 HydrophobicContact CG1-CG 4.42Å; V465-R467 PolarHBondContact O-N 3.06Å
466	P	32.3	Very low	44.9	Very low	114 Å²	114	107.8 Å²	107.8	74%	0.74	59%	0.591	S	S	*	*			trans	-76.8	113.3	173.6	29.3	-27.7	0	0	0	108.4
467	R	40.4	Very low	46.9	Very low	205 Å²	205	102.3 Å²	102.3	77%	0.774	56%	0.561	S	S	*	*			trans	-106.4	126	158	-71.8	-172.8	179.3	-178.3	0.5	107.4	V465 L469	V465-R467 HydrophobicContact CG1-CG 4.42Å; V465-R467 PolarHBondContact O-N 3.06Å; R467-L469 PolarHBondContact O-N 2.91Å
468	T	37.3	Very low	49	Very low	147 Å²	147	97.1 Å²	97.1	90%	0.902	53%	0.527	S	S	*	.			trans	-58	100.1	173.4	19.9	0	0	0	0	109.2
469	L	49.9	Very low	51.3	Low	64 Å²	64	101.1 Å²	101.1	34%	0.335	53%	0.526	S	S	.	.			trans	-101.7	130.4	176.3	-73.4	147.7	0	0	0	108.5	R467 Y570 H574	R467-L469 PolarHBondContact O-N 2.91Å; L469-Y570 HydrophobicContact CB-CD1 3.93Å; L469-Y570 HydrophobicContact CB-CE1 4.2Å; L469-H574 VanDerWaalsContact CD1-CD2 3.41Å; L469-H574 WeakPolarHBondContact CD1-CD2 3.43Å
470	V	53.3	Low	52.8	Low	144 Å²	144	94.7 Å²	94.7	87%	0.873	50%	0.497	S	S	*	.			trans	-106.2	132.5	-172.7	-171.9	0	0	0	0	109.6
471	G	59.8	Low	54.5	Low	14 Å²	14	87.7 Å²	87.7	14%	0.144	46%	0.463	C	S	.	.	S	Bend	trans	117.2	134.4	169.8	0	0	0	0	0	114.9	Y570	G471-Y570 PolarHBondContact O-OH 3.09Å
472	R	71.3	Confident	55.6	Low	107 Å²	107	84.3 Å²	84.3	40%	0.404	44%	0.438	S	S	.	.			trans	-58.2	140.6	-174.6	-70	-179.8	176.7	157	2	112.8	F474 E494 E561 H565	R472-F474 HydrophobicContact CB-CE2 3.82Å; R472-F474 HydrophobicContact CB-CZ 4.03Å; R472-E494 HydrophobicContact CB-CB 4.31Å; R472-E494 WeakPolarHBondContact CB-OE2 3.38Å; R472-E494 WeakPolarHBondContact CG-OE2 3.36Å; R472-E494 PolarHBondContact N-OE2 3.19Å; R472-E494 PolarHBondContact O-N 3.14Å; R472-E561 IonicContact CZ-OE1 2.69Å; R472-E561 IonicContact NE-OE1 2.74Å; R472-E561 PolarHBondContact NE-OE1 2.83Å; R472-E561 IonicContact NH2-OE1 2.67Å; R472-E561 PolarHBondContact NH2-OE1 2.97Å; R472-E561 IonicContact NH2-OE2 2.85Å; R472-H565 WeakPolarHBondContact CA-NE2 3.25Å; R472-H565 WeakPolarHBondContact CB-NE2 3.43Å
473	L	74.5	Confident	57	Low	1 Å²	1	82.3 Å²	82.3	1%	0.005	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	135.9	-176.6	-78	163.3	0	0	0	110.7	V491 R493 F557 H565 Y570 F573	L473-V491 HydrophobicContact CD2-CG1 3.8Å; L473-R493 HydrophobicContact CD2-CG 3.59Å; L473-F557 HydrophobicContact CB-CE1 3.96Å; L473-F557 HydrophobicContact CB-CZ 4.4Å; L473-F557 WeakPolarHBondContact O-CD1 3.43Å; L473-F557 VanDerWaalsContact O-CE1 3.31Å; L473-F557 WeakPolarHBondContact O-CE1 3.28Å; L473-H565 PolarHBondContact N-CD2 2.93Å; L473-H565 PolarHBondContact N-NE2 3.12Å; L473-H565 VanDerWaalsContact N-NE2 3.1Å; L473-Y570 HydrophobicContact CD1-CD1 3.36Å; L473-Y570 HydrophobicContact CD1-CD2 4.06Å; L473-Y570 HydrophobicContact CD1-CE1 3.48Å; L473-Y570 VanDerWaalsContact CD1-CE1 3.48Å; L473-Y570 HydrophobicContact CD1-CE2 4.19Å; L473-Y570 HydrophobicContact CD1-CG 3.66Å; L473-Y570 HydrophobicContact CD2-CE1 4.48Å; L473-Y570 HydrophobicContact CG-CD1 4.08Å; L473-Y570 HydrophobicContact CG-CE1 3.75Å; L473-F573 HydrophobicContact CD1-CB 4.34Å; L473-F573 HydrophobicContact CD2-CB 4.34Å
474	F	77	Confident	58.6	Low	105 Å²	105	82.4 Å²	82.4	46%	0.461	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	131.5	172.9	-56.5	-86	0	0	0	110.1	R472 V491 D492	R472-F474 HydrophobicContact CB-CE2 3.82Å; R472-F474 HydrophobicContact CB-CZ 4.03Å; F474-V491 CarbonylContact O-C 3.42Å; F474-V491 WeakPolarHBondContact O-CA 3.47Å; F474-D492 PolarHBondContact N-O 3.5Å; F474-D492 PolarHBondContact O-N 3.18Å
475	C	76.1	Confident	60	Low	29 Å²	29	80.8 Å²	80.8	20%	0.196	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	101.9	170.1	-172.3	0	0	0	0	110.3	R490 L553 F557 F573	C475-R490 CarbonylContact C-O 3.57Å; C475-R490 WeakPolarHBondContact CA-O 3.38Å; C475-R490 PolarHBondContact SG-O 2.89Å; C475-R490 VanDerWaalsContact SG-O 3.34Å; C475-L553 HydrophobicContact CB-CD1 4.22Å; C475-F557 HydrophobicContact CB-CE2 3.93Å; C475-F573 HydrophobicContact CB-CE1 4.14Å
476	S	70.5	Confident	62	Low	65 Å²	65	76.1 Å²	76.1	46%	0.455	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-10.2	-175.1	62.3	0	0	0	0	114.5	R490 D492	S476-R490 PolarHBondContact N-O 3.05Å; S476-R490 WeakPolarHBondContact OG-CD 3.42Å; S476-R490 WeakPolarHBondContact OG-CG 3.47Å; S476-R490 PolarHBondContact OG-NE 2.94Å; S476-D492 WeakPolarHBondContact CB-OD2 3.41Å; S476-D492 PolarHBondContact OG-OD2 3.4Å
477	G	72.8	Confident	64.4	Low	17 Å²	17	70.8 Å²	70.8	18%	0.175	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	138.4	-179.5	0	0	0	0	0	114.7	L489 R490	G477-L489 CarbonylContact O-C 3.56Å; G477-L489 VanDerWaalsContact O-CA 3.31Å; G477-L489 WeakPolarHBondContact O-CA 3.42Å; G477-R490 PolarHBondContact O-N 3.33Å
478	V	74.5	Confident	66.6	Low	5 Å²	5	63 Å²	63	3%	0.03	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120.7	172	-172.8	0	0	0	0	107.8	Y487 K488 L489 Q546 I549 R550 L553	V478-Y487 HydrophobicContact CG1-CD1 4.13Å; V478-Y487 HydrophobicContact CG1-CG 4.38Å; V478-K488 CarbonylContact C-O 3.39Å; V478-K488 WeakPolarHBondContact CA-O 3.35Å; V478-L489 HydrophobicContact CB-CD2 4.17Å; V478-L489 HydrophobicContact CG1-CD2 3.91Å; V478-L489 HydrophobicContact CG2-CD2 3.65Å; V478-Q546 HydrophobicContact CG1-CG 4.2Å; V478-Q546 PolarHBondContact O-NE2 3.4Å; V478-I549 HydrophobicContact CG1-CG2 4.01Å; V478-I549 HydrophobicContact CG2-CG2 4.28Å; V478-R550 HydrophobicContact CB-CG 3.79Å; V478-R550 HydrophobicContact CG2-CG 3.75Å; V478-L553 HydrophobicContact CG2-CD1 3.81Å
479	R	74.8	Confident	68.8	Low	189 Å²	189	56 Å²	56	71%	0.713	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.5	176.4	-66.3	-174	-179.1	-176.6	0.8	110.3	Y487 K488	R479-Y487 CarbonylContact O-C 3.6Å; R479-Y487 VanDerWaalsContact O-CA 3.26Å; R479-Y487 WeakPolarHBondContact O-CA 3.27Å; R479-K488 PolarHBondContact N-O 3.3Å; R479-K488 PolarHBondContact O-N 3.12Å
480	L	62.7	Low	70.6	Confident	39 Å²	39	57.9 Å²	57.9	20%	0.204	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	141.6	171.5	-75	162.2	0	0	0	110.9	Y484 Y487 A542 L543	L480-Y484 HydrophobicContact CD1-CD1 4.16Å; L480-Y487 HydrophobicContact CD2-CD1 3.85Å; L480-Y487 HydrophobicContact CD2-CE1 3.41Å; L480-Y487 VanDerWaalsContact CD2-CE1 3.41Å; L480-Y487 HydrophobicContact CG-CD1 4.48Å; L480-Y487 HydrophobicContact CG-CE1 4.3Å; L480-A542 HydrophobicContact CD1-CB 4.44Å; L480-A542 HydrophobicContact CD2-CB 3.66Å; L480-L543 HydrophobicContact CD1-CB 4.49Å; L480-L543 HydrophobicContact CD1-CD2 3.44Å; L480-L543 VanDerWaalsContact CD1-CD2 3.44Å; L480-L543 HydrophobicContact CD1-CG 3.73Å
481	F	62.1	Low	72.1	Confident	48 Å²	48	51.1 Å²	51.1	21%	0.211	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	163.2	178.4	-166.9	-105.9	0	0	0	110.6	Y484 M486 K488 Y503 A582	F481-Y484 PolarHBondContact O-N 2.91Å; F481-M486 HydrophobicContact CB-CB 4.5Å; F481-M486 PolarHBondContact N-O 2.89Å; F481-M486 PolarHBondContact O-N 3.15Å; F481-K488 HydrophobicContact CB-CB 4.06Å; F481-K488 HydrophobicContact CG-CB 4.47Å; F481-Y503 HydrophobicContact CB-CD1 4.13Å; F481-Y503 HydrophobicContact CB-CE1 4.37Å; F481-Y503 AromaticContact CD1-CD1 3.22Å; F481-Y503 HydrophobicContact CD1-CD1 3.22Å; F481-Y503 AromaticContact CD1-CE1 3.41Å; F481-Y503 HydrophobicContact CD1-CE1 3.41Å; F481-Y503 VanDerWaalsContact CD1-CE1 3.41Å; F481-Y503 HydrophobicContact CD1-CG 4.34Å; F481-Y503 HydrophobicContact CD2-CD1 4.24Å; F481-Y503 AromaticContact CD2-CE1 3.7Å; F481-Y503 HydrophobicContact CD2-CE1 3.7Å; F481-Y503 AromaticContact CE1-CD1 3.57Å; F481-Y503 HydrophobicContact CE1-CD1 3.57Å; F481-Y503 AromaticContact CE1-CE1 3.42Å; F481-Y503 HydrophobicContact CE1-CE1 3.42Å; F481-Y503 VanDerWaalsContact CE1-CE1 3.42Å; F481-Y503 AromaticContact CE2-CE1 3.71Å; F481-Y503 HydrophobicContact CE2-CE1 3.71Å; F481-Y503 AromaticContact CG-CD1 3.6Å; F481-Y503 HydrophobicContact CG-CD1 3.6Å; F481-Y503 AromaticContact CG-CE1 3.55Å; F481-Y503 HydrophobicContact CG-CE1 3.55Å; F481-Y503 HydrophobicContact CZ-CD1 4.21Å; F481-Y503 AromaticContact CZ-CE1 3.57Å; F481-Y503 HydrophobicContact CZ-CE1 3.57Å; F481-A582 HydrophobicContact CE1-CB 4.12Å; F481-A582 HydrophobicContact CZ-CB 4.41Å
482	F	52.8	Low	73.1	Confident	55 Å²	55	52.1 Å²	52.1	24%	0.241	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	42.1	78.5	172.9	-149.7	-103.4	0	0	0	114.9	E356 Y484 T485 M486	E356-F482 HydrophobicContact CG-CE1 4.39Å; E356-F482 WeakPolarHBondContact OE2-CZ 3.39Å; F482-Y484 PolarHBondContact O-N 3.49Å; F482-T485 PolarHBondContact O-N 3.29Å; F482-T485 VanDerWaalsContact O-N 3.11Å; F482-T485 PolarHBondContact O-OG1 3.26Å; F482-M486 HydrophobicContact CB-CB 4.45Å; F482-M486 HydrophobicContact CB-CG 4.47Å; F482-M486 HydrophobicContact CB-SD 4.49Å
483	F	56.6	Low	73.5	Confident	72 Å²	72	49.7 Å²	49.7	32%	0.316	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	50.2	33.5	177.4	-55.6	-91.1	0	0	0	115.6	T485 L615	F483-T485 PolarHBondContact O-N 3.01Å; F483-L615 HydrophobicContact CD1-CD1 4.33Å; F483-L615 HydrophobicContact CE1-CD1 4Å
484	Y	63.4	Low	73.5	Confident	81 Å²	81	53.8 Å²	53.8	32%	0.318	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	69.8	11.8	177.6	-40.4	-69	0	0	0	115.5	L480 F481 F482 R539 A542	L480-Y484 HydrophobicContact CD1-CD1 4.16Å; F481-Y484 PolarHBondContact O-N 2.91Å; F482-Y484 PolarHBondContact O-N 3.49Å; Y484-R539 HydrophobicContact CD1-CG 4.18Å; Y484-R539 HydrophobicContact CD2-CB 4.21Å; Y484-R539 HydrophobicContact CE1-CB 4.48Å; Y484-R539 HydrophobicContact CE1-CG 3.78Å; Y484-R539 HydrophobicContact CE2-CB 4.07Å; Y484-R539 HydrophobicContact CE2-CG 4.15Å; Y484-R539 HydrophobicContact CG-CB 4.47Å; Y484-R539 WeakPolarHBondContact OH-CD 3.24Å; Y484-A542 WeakPolarHBondContact O-CB 3.45Å
485	T	64	Low	73.2	Confident	81 Å²	81	56.3 Å²	56.3	50%	0.497	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-22.8	177	61.6	0	0	0	0	112.7	F482 F483	F482-T485 PolarHBondContact O-N 3.29Å; F482-T485 VanDerWaalsContact O-N 3.11Å; F482-T485 PolarHBondContact O-OG1 3.26Å; F483-T485 PolarHBondContact O-N 3.01Å
486	M	76.1	Confident	72.9	Confident	16 Å²	16	58.8 Å²	58.8	8%	0.079	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	159.2	-176.2	-60.3	-169.8	80	0	0	112.6	F481 F482 R504	F481-M486 HydrophobicContact CB-CB 4.5Å; F481-M486 PolarHBondContact N-O 2.89Å; F481-M486 PolarHBondContact O-N 3.15Å; F482-M486 HydrophobicContact CB-CB 4.45Å; F482-M486 HydrophobicContact CB-CG 4.47Å; F482-M486 HydrophobicContact CB-SD 4.49Å; M486-R504 CarbonylContact C-O 3.58Å; M486-R504 WeakPolarHBondContact CA-O 3.48Å
487	Y	82.6	Confident	72.9	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.008	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.4	175.7	-56.5	-89.5	0	0	0	109	V478 R479 L480 Y503 R504 Y506 F509 A542 R545 Q546 I549	V478-Y487 HydrophobicContact CG1-CD1 4.13Å; V478-Y487 HydrophobicContact CG1-CG 4.38Å; R479-Y487 CarbonylContact O-C 3.6Å; R479-Y487 VanDerWaalsContact O-CA 3.26Å; R479-Y487 WeakPolarHBondContact O-CA 3.27Å; L480-Y487 HydrophobicContact CD2-CD1 3.85Å; L480-Y487 HydrophobicContact CD2-CE1 3.41Å; L480-Y487 VanDerWaalsContact CD2-CE1 3.41Å; L480-Y487 HydrophobicContact CG-CD1 4.48Å; L480-Y487 HydrophobicContact CG-CE1 4.3Å; Y487-Y503 WeakPolarHBondContact O-CA 3.23Å; Y487-R504 WeakPolarHBondContact CD2-O 3.44Å; Y487-R504 PolarHBondContact N-O 3.45Å; Y487-R504 PolarHBondContact O-N 3.32Å; Y487-Y506 HydrophobicContact CE2-CD2 4.45Å; Y487-F509 HydrophobicContact CD2-CD2 4.47Å; Y487-F509 AromaticContact CD2-CE2 3.98Å; Y487-F509 HydrophobicContact CD2-CE2 3.98Å; Y487-F509 HydrophobicContact CG-CE2 4.38Å; Y487-A542 PolarHBondContact OH-O 3.02Å; Y487-R545 WeakPolarHBondContact OH-CB 3.42Å; Y487-Q546 HydrophobicContact CD1-CB 4.22Å; Y487-Q546 HydrophobicContact CD1-CG 4.25Å; Y487-Q546 HydrophobicContact CE1-CB 3.81Å; Y487-Q546 HydrophobicContact CE1-CG 4.35Å; Y487-I549 HydrophobicContact CD1-CD1 3.76Å; Y487-I549 HydrophobicContact CD2-CD1 3.39Å; Y487-I549 HydrophobicContact CE1-CD1 3.71Å; Y487-I549 HydrophobicContact CE2-CD1 3.37Å; Y487-I549 HydrophobicContact CG-CD1 3.62Å
488	K	85.6	Confident	73	Confident	41 Å²	41	70.3 Å²	70.3	18%	0.178	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	116.4	169.5	-178.4	170.8	-175.8	148.7	0	108.8	V478 R479 F481 Y501 L502 Y503 D583	V478-K488 CarbonylContact C-O 3.39Å; V478-K488 WeakPolarHBondContact CA-O 3.35Å; R479-K488 PolarHBondContact N-O 3.3Å; R479-K488 PolarHBondContact O-N 3.12Å; F481-K488 HydrophobicContact CB-CB 4.06Å; F481-K488 HydrophobicContact CG-CB 4.47Å; K488-Y501 HydrophobicContact CD-CD1 4.34Å; K488-Y501 VanDerWaalsContact CE-CG 3.49Å; K488-Y501 HydrophobicContact CG-CD1 4.32Å; K488-L502 CarbonylContact C-O 3.51Å; K488-L502 WeakPolarHBondContact CA-O 3.37Å; K488-Y503 HydrophobicContact CB-CD1 4.01Å; K488-Y503 HydrophobicContact CB-CE1 3.86Å; K488-Y503 HydrophobicContact CD-CE1 3.77Å; K488-Y503 WeakPolarHBondContact CE-OH 3.36Å; K488-Y503 HydrophobicContact CG-CD1 4.27Å; K488-Y503 HydrophobicContact CG-CE1 3.76Å; K488-Y503 PolarHBondContact NZ-OH 3.17Å; K488-D583 IonicContact NZ-OD1 3.64Å; K488-D583 PolarHBondContact NZ-OD1 2.9Å; K488-D583 VanDerWaalsContact NZ-OD1 3.11Å
489	L	85.6	Confident	73.2	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	132	176.8	-57.9	171.8	0	0	0	109.1	G477 V478 V491 Y501 L502 R504 F509 L553 F572 F573	G477-L489 CarbonylContact O-C 3.56Å; G477-L489 VanDerWaalsContact O-CA 3.31Å; G477-L489 WeakPolarHBondContact O-CA 3.42Å; V478-L489 HydrophobicContact CB-CD2 4.17Å; V478-L489 HydrophobicContact CG1-CD2 3.91Å; V478-L489 HydrophobicContact CG2-CD2 3.65Å; L489-V491 HydrophobicContact CB-CG2 4.28Å; L489-Y501 VanDerWaalsContact O-CA 3.31Å; L489-Y501 WeakPolarHBondContact O-CA 3.42Å; L489-L502 HydrophobicContact CB-CB 4.24Å; L489-L502 HydrophobicContact CD1-CB 4.45Å; L489-L502 PolarHBondContact N-O 3.05Å; L489-L502 PolarHBondContact O-N 3.43Å; L489-R504 HydrophobicContact CD1-CB 4.36Å; L489-R504 HydrophobicContact CD1-CG 3.92Å; L489-F509 HydrophobicContact CD1-CE1 4.25Å; L489-F509 HydrophobicContact CD1-CZ 3.8Å; L489-F509 HydrophobicContact CD2-CZ 3.93Å; L489-F509 HydrophobicContact CG-CZ 4.25Å; L489-L553 HydrophobicContact CD2-CD1 4Å; L489-F572 HydrophobicContact CD1-CE1 4.26Å; L489-F573 HydrophobicContact CD1-CE1 4.02Å
490	R	86.3	Confident	73.3	Confident	105 Å²	105	63.6 Å²	63.6	40%	0.396	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120.2	164.5	-178.6	180	162.5	175.7	-0.2	107.8	C475 S476 G477 D492 P499 Y501	C475-R490 CarbonylContact C-O 3.57Å; C475-R490 WeakPolarHBondContact CA-O 3.38Å; C475-R490 PolarHBondContact SG-O 2.89Å; C475-R490 VanDerWaalsContact SG-O 3.34Å; S476-R490 PolarHBondContact N-O 3.05Å; S476-R490 WeakPolarHBondContact OG-CD 3.42Å; S476-R490 WeakPolarHBondContact OG-CG 3.47Å; S476-R490 PolarHBondContact OG-NE 2.94Å; G477-R490 PolarHBondContact O-N 3.33Å; R490-D492 IonicContact CZ-OD1 2.7Å; R490-D492 IonicContact NE-OD1 3.57Å; R490-D492 PolarHBondContact NE-OD1 2.92Å; R490-D492 IonicContact NE-OD2 3.23Å; R490-D492 IonicContact NH2-OD1 3.98Å; R490-D492 PolarHBondContact NH2-OD1 2.73Å; R490-P499 HydrophobicContact CG-CB 3.92Å; R490-Y501 HydrophobicContact CB-CD1 4.26Å; R490-Y501 HydrophobicContact CB-CE1 4.02Å; R490-Y501 HydrophobicContact CG-CE1 4Å
491	V	84.2	Confident	74.2	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.006	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	114.6	-177.5	-177.8	0	0	0	0	108.7	L473 F474 L489 S500 L502 F573	L473-V491 HydrophobicContact CD2-CG1 3.8Å; F474-V491 CarbonylContact O-C 3.42Å; F474-V491 WeakPolarHBondContact O-CA 3.47Å; L489-V491 HydrophobicContact CB-CG2 4.28Å; V491-S500 PolarHBondContact N-O 2.7Å; V491-S500 PolarHBondContact O-N 2.97Å; V491-S500 PolarHBondContact O-OG 3.18Å; V491-L502 HydrophobicContact CG2-CD1 3.61Å; V491-L502 HydrophobicContact CG2-CG 3.89Å; V491-F573 HydrophobicContact CG1-CB 4.47Å; V491-F573 HydrophobicContact CG1-CD1 4.41Å; V491-F573 HydrophobicContact CG2-CD1 3.61Å; V491-F573 HydrophobicContact CG2-CE1 4.19Å
492	D	82.4	Confident	75.2	Confident	36 Å²	36	63.5 Å²	63.5	19%	0.193	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	138.4	174.5	-51.7	-90.4	0	0	0	107.9	F474 S476 R490 P499	F474-D492 PolarHBondContact N-O 3.5Å; F474-D492 PolarHBondContact O-N 3.18Å; S476-D492 WeakPolarHBondContact CB-OD2 3.41Å; S476-D492 PolarHBondContact OG-OD2 3.4Å; R490-D492 IonicContact CZ-OD1 2.7Å; R490-D492 IonicContact NE-OD1 3.57Å; R490-D492 PolarHBondContact NE-OD1 2.92Å; R490-D492 IonicContact NE-OD2 3.23Å; R490-D492 IonicContact NH2-OD1 3.98Å; R490-D492 PolarHBondContact NH2-OD1 2.73Å; D492-P499 WeakPolarHBondContact OD1-CB 3.4Å
493	R	80	Confident	76.5	Confident	55 Å²	55	61 Å²	61	21%	0.208	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.6	178	-74.1	173.8	-173.7	161.8	-1.4	108.8	L473 N495 V496 F573 P575	L473-R493 HydrophobicContact CD2-CG 3.59Å; R493-N495 PolarHBondContact O-N 2.83Å; R493-V496 HydrophobicContact CB-CB 4.05Å; R493-V496 HydrophobicContact CB-CG2 3.78Å; R493-V496 PolarHBondContact O-N 3.14Å; R493-F573 PolarHBondContact NH2-O 3.45Å; R493-P575 VanDerWaalsContact NH2-CD 3.28Å
494	E	74.4	Confident	77.8	Confident	87 Å²	87	58 Å²	58	41%	0.407	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	133.3	172.8	-161.3	168.5	-153.9	0	0	109.6	R472 V496	R472-E494 HydrophobicContact CB-CB 4.31Å; R472-E494 WeakPolarHBondContact CB-OE2 3.38Å; R472-E494 WeakPolarHBondContact CG-OE2 3.36Å; R472-E494 PolarHBondContact N-OE2 3.19Å; R472-E494 PolarHBondContact O-N 3.14Å; E494-V496 VanDerWaalsContact C-N 3.32Å; E494-V496 PolarHBondContact O-N 3.14Å
495	N	69.7	Low	78.7	Confident	159 Å²	159	55.6 Å²	55.6	85%	0.85	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	9.5	-174.1	-52.7	-43.1	0	0	0	117.4	R493	R493-N495 PolarHBondContact O-N 2.83Å
496	V	70.9	Confident	79.7	Confident	80 Å²	80	52 Å²	52	49%	0.485	26%	0.256	S	S	.	.			trans	-113.7	112.9	173.5	-172.3	0	0	0	0	110.5	R493 E494 V498	R493-V496 HydrophobicContact CB-CB 4.05Å; R493-V496 HydrophobicContact CB-CG2 3.78Å; R493-V496 PolarHBondContact O-N 3.14Å; E494-V496 VanDerWaalsContact C-N 3.32Å; E494-V496 PolarHBondContact O-N 3.14Å; V496-V498 VanDerWaalsContact C-N 3.28Å; V496-V498 WeakPolarHBondContact CG1-O 3.36Å; V496-V498 PolarHBondContact O-N 2.96Å
497	K	70.1	Confident	80	Confident	214 Å²	214	56 Å²	56	93%	0.93	28%	0.278	S	S	*	.	S	Bend	trans	-67	-25.6	-178.3	-70.5	-173.6	179	-179.9	0	114.1
498	V	73.4	Confident	80.1	Confident	111 Å²	111	57.9 Å²	57.9	67%	0.673	29%	0.287	S	S	*	.	S	Bend	trans	-105.2	119.4	-176.3	-176.6	0	0	0	0	109.2	V496	V496-V498 VanDerWaalsContact C-N 3.28Å; V496-V498 WeakPolarHBondContact CG1-O 3.36Å; V496-V498 PolarHBondContact O-N 2.96Å
499	P	78.8	Confident	80.2	Confident	27 Å²	27	56 Å²	56	18%	0.175	28%	0.278	C	S	.	.			trans	-65.8	145.1	175	26.9	-33	0	0	0	110.7	R490 D492	R490-P499 HydrophobicContact CG-CB 3.92Å; D492-P499 WeakPolarHBondContact OD1-CB 3.4Å
500	S	77.5	Confident	80.2	Confident	25 Å²	25	56.8 Å²	56.8	18%	0.175	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	142.9	169.1	56.9	0	0	0	0	110.2	V491	V491-S500 PolarHBondContact N-O 2.7Å; V491-S500 PolarHBondContact O-N 2.97Å; V491-S500 PolarHBondContact O-OG 3.18Å
501	Y	81.6	Confident	80	Confident	86 Å²	86	56.4 Å²	56.4	34%	0.337	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.1	174.8	-66.8	-75.3	0	0	0	109.6	K488 L489 R490	K488-Y501 HydrophobicContact CD-CD1 4.34Å; K488-Y501 VanDerWaalsContact CE-CG 3.49Å; K488-Y501 HydrophobicContact CG-CD1 4.32Å; L489-Y501 VanDerWaalsContact O-CA 3.31Å; L489-Y501 WeakPolarHBondContact O-CA 3.42Å; R490-Y501 HydrophobicContact CB-CD1 4.26Å; R490-Y501 HydrophobicContact CB-CE1 4.02Å; R490-Y501 HydrophobicContact CG-CE1 4Å
502	L	82.4	Confident	80.1	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	153.7	178.6	-46	178.6	0	0	0	110	K488 L489 V491 F573 P575 D579	K488-L502 CarbonylContact C-O 3.51Å; K488-L502 WeakPolarHBondContact CA-O 3.37Å; L489-L502 HydrophobicContact CB-CB 4.24Å; L489-L502 HydrophobicContact CD1-CB 4.45Å; L489-L502 PolarHBondContact N-O 3.05Å; L489-L502 PolarHBondContact O-N 3.43Å; V491-L502 HydrophobicContact CG2-CD1 3.61Å; V491-L502 HydrophobicContact CG2-CG 3.89Å; L502-F573 VanDerWaalsContact CD1-C 3.44Å; L502-F573 VanDerWaalsContact CD1-CA 3.42Å; L502-F573 HydrophobicContact CD1-CB 4.12Å; L502-F573 HydrophobicContact CD1-CD1 3.95Å; L502-F573 HydrophobicContact CD1-CG 4.49Å; L502-F573 WeakPolarHBondContact CD1-O 3.25Å; L502-P575 HydrophobicContact CD2-CB 4.07Å; L502-P575 HydrophobicContact CD2-CG 3.87Å; L502-D579 HydrophobicContact CD2-CB 4.4Å; L502-D579 WeakPolarHBondContact CD2-OD2 3.35Å
503	Y	81	Confident	80.2	Confident	1 Å²	1	55.7 Å²	55.7	0%	0.004	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.6	178.4	-57.7	-95.4	0	0	0	107.7	F481 Y487 K488 R578 D579 A582 D583	F481-Y503 HydrophobicContact CB-CD1 4.13Å; F481-Y503 HydrophobicContact CB-CE1 4.37Å; F481-Y503 AromaticContact CD1-CD1 3.22Å; F481-Y503 HydrophobicContact CD1-CD1 3.22Å; F481-Y503 AromaticContact CD1-CE1 3.41Å; F481-Y503 HydrophobicContact CD1-CE1 3.41Å; F481-Y503 VanDerWaalsContact CD1-CE1 3.41Å; F481-Y503 HydrophobicContact CD1-CG 4.34Å; F481-Y503 HydrophobicContact CD2-CD1 4.24Å; F481-Y503 AromaticContact CD2-CE1 3.7Å; F481-Y503 HydrophobicContact CD2-CE1 3.7Å; F481-Y503 AromaticContact CE1-CD1 3.57Å; F481-Y503 HydrophobicContact CE1-CD1 3.57Å; F481-Y503 AromaticContact CE1-CE1 3.42Å; F481-Y503 HydrophobicContact CE1-CE1 3.42Å; F481-Y503 VanDerWaalsContact CE1-CE1 3.42Å; F481-Y503 AromaticContact CE2-CE1 3.71Å; F481-Y503 HydrophobicContact CE2-CE1 3.71Å; F481-Y503 AromaticContact CG-CD1 3.6Å; F481-Y503 HydrophobicContact CG-CD1 3.6Å; F481-Y503 AromaticContact CG-CE1 3.55Å; F481-Y503 HydrophobicContact CG-CE1 3.55Å; F481-Y503 HydrophobicContact CZ-CD1 4.21Å; F481-Y503 AromaticContact CZ-CE1 3.57Å; F481-Y503 HydrophobicContact CZ-CE1 3.57Å; Y487-Y503 WeakPolarHBondContact O-CA 3.23Å; K488-Y503 HydrophobicContact CB-CD1 4.01Å; K488-Y503 HydrophobicContact CB-CE1 3.86Å; K488-Y503 HydrophobicContact CD-CE1 3.77Å; K488-Y503 WeakPolarHBondContact CE-OH 3.36Å; K488-Y503 HydrophobicContact CG-CD1 4.27Å; K488-Y503 HydrophobicContact CG-CE1 3.76Å; K488-Y503 PolarHBondContact NZ-OH 3.17Å; Y503-R578 PolarHBondContact O-NH2 3.39Å; Y503-D579 HydrophobicContact CD2-CB 4.19Å; Y503-D579 WeakPolarHBondContact CD2-OD1 3.2Å; Y503-D579 PolarHBondContact N-OD1 3.09Å; Y503-A582 HydrophobicContact CD1-CB 4.12Å; Y503-A582 HydrophobicContact CD2-CB 3.47Å; Y503-A582 VanDerWaalsContact CD2-CB 3.47Å; Y503-A582 HydrophobicContact CE1-CB 3.93Å; Y503-A582 HydrophobicContact CE2-CB 3.28Å; Y503-A582 HydrophobicContact CG-CB 3.88Å; Y503-D583 PolarHBondContact OH-OD1 3.46Å
504	R	83.2	Confident	80.3	Confident	9 Å²	9	57.3 Å²	57.3	3%	0.034	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	145.5	-178.9	-60	-67.7	179.2	-92.2	4.3	110.7	M486 Y487 L489 E508 F509 F572 H574 D579	M486-R504 CarbonylContact C-O 3.58Å; M486-R504 WeakPolarHBondContact CA-O 3.48Å; Y487-R504 WeakPolarHBondContact CD2-O 3.44Å; Y487-R504 PolarHBondContact N-O 3.45Å; Y487-R504 PolarHBondContact O-N 3.32Å; L489-R504 HydrophobicContact CD1-CB 4.36Å; L489-R504 HydrophobicContact CD1-CG 3.92Å; R504-E508 WeakPolarHBondContact CA-OE2 3.46Å; R504-F509 HydrophobicContact CB-CE2 3.8Å; R504-F509 HydrophobicContact CB-CZ 4Å; R504-F572 HydrophobicContact CB-CZ 4.01Å; R504-F572 HydrophobicContact CG-CE1 3.95Å; R504-F572 HydrophobicContact CG-CE2 4.36Å; R504-F572 HydrophobicContact CG-CZ 3.71Å; R504-F572 PolarHBondContact NE-O 3.17Å; R504-F572 PolarHBondContact NH2-O 3.35Å; R504-H574 PolarHBondContact NH2-O 3.09Å; R504-D579 IonicContact CZ-OD2 3.2Å; R504-D579 VanDerWaalsContact NH1-CG 3.32Å; R504-D579 IonicContact NH1-OD1 3.11Å; R504-D579 PolarHBondContact NH1-OD1 3.32Å; R504-D579 IonicContact NH1-OD2 3.35Å; R504-D579 PolarHBondContact NH1-OD2 2.93Å; R504-D579 IonicContact NH2-OD2 3.78Å; R504-D579 PolarHBondContact NH2-OD2 2.97Å
505	S	83.2	Confident	80.6	Confident	31 Å²	31	54.8 Å²	54.8	22%	0.217	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	162.3	175	69.1	0	0	0	0	111.2	N507 E508 F509	S505-N507 PolarHBondContact O-N 3.12Å; S505-E508 VanDerWaalsContact CB-OE2 3.29Å; S505-E508 WeakPolarHBondContact CB-OE2 3.12Å; S505-E508 PolarHBondContact N-OE2 3.44Å; S505-E508 PolarHBondContact O-N 2.92Å; S505-E508 WeakPolarHBondContact OG-CG 3.47Å; S505-E508 PolarHBondContact OG-N 2.81Å; S505-E508 PolarHBondContact OG-OE2 2.93Å; S505-F509 WeakPolarHBondContact O-CD2 3.48Å; S505-F509 PolarHBondContact O-N 2.96Å
506	Y	85	Confident	81.2	Confident	7 Å²	7	47.2 Å²	47.2	3%	0.027	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-33.1	176.3	-167.5	-101.1	0	0	0	112.8	Y487 F509 L510 L528 P529 R545 E548 I549	Y487-Y506 HydrophobicContact CE2-CD2 4.45Å; Y506-F509 WeakPolarHBondContact O-CB 3.26Å; Y506-F509 PolarHBondContact O-N 2.74Å; Y506-L510 HydrophobicContact CD1-CD1 3.91Å; Y506-L510 HydrophobicContact CD1-CG 4.15Å; Y506-L510 HydrophobicContact CE1-CD1 3.92Å; Y506-L510 HydrophobicContact CE1-CD2 4.17Å; Y506-L510 HydrophobicContact CE1-CG 4.05Å; Y506-L510 PolarHBondContact O-N 3.16Å; Y506-L510 VanDerWaalsContact O-N 3.12Å; Y506-L528 HydrophobicContact CE2-CD2 4.3Å; Y506-P529 VanDerWaalsContact OH-CD 3.29Å; Y506-P529 WeakPolarHBondContact OH-CD 3.5Å; Y506-P529 PolarHBondContact OH-O 3.01Å; Y506-P529 VanDerWaalsContact OH-O 3.1Å; Y506-R545 HydrophobicContact CD2-CB 3.66Å; Y506-R545 HydrophobicContact CD2-CG 3.67Å; Y506-R545 HydrophobicContact CE1-CG 4.47Å; Y506-R545 HydrophobicContact CE2-CB 3.59Å; Y506-R545 HydrophobicContact CE2-CG 3.4Å; Y506-R545 HydrophobicContact CG-CG 4.3Å; Y506-E548 PolarHBondContact OH-OE2 2.88Å; Y506-I549 HydrophobicContact CD2-CD1 3.92Å; Y506-I549 HydrophobicContact CD2-CG1 4.18Å; Y506-I549 HydrophobicContact CE2-CD1 4.49Å; Y506-I549 HydrophobicContact CE2-CG1 4.31Å
507	N	82.6	Confident	81.9	Confident	99 Å²	99	47.5 Å²	47.5	53%	0.529	24%	0.238	S	C	.	.	H	α-helix	trans	-68.8	-39.9	179.1	-71.3	-10.8	0	0	0	111.7	S505 F509 L510 E511	S505-N507 PolarHBondContact O-N 3.12Å; N507-F509 PolarHBondContact O-N 3.43Å; N507-L510 WeakPolarHBondContact O-CA 3.35Å; N507-L510 WeakPolarHBondContact O-CB 3.3Å; N507-L510 PolarHBondContact O-N 3.18Å; N507-E511 WeakPolarHBondContact O-CG 3.33Å; N507-E511 PolarHBondContact O-N 3Å
508	E	83.3	Confident	82.4	Confident	42 Å²	42	47.2 Å²	47.2	20%	0.196	23%	0.232	C	C	.	.	H	α-helix	trans	-60.2	-34.8	173.8	-73.7	162	115.9	0	0	111.1	R504 S505 E511 L512 F572 R578	R504-E508 WeakPolarHBondContact CA-OE2 3.46Å; S505-E508 VanDerWaalsContact CB-OE2 3.29Å; S505-E508 WeakPolarHBondContact CB-OE2 3.12Å; S505-E508 PolarHBondContact N-OE2 3.44Å; S505-E508 PolarHBondContact O-N 2.92Å; S505-E508 WeakPolarHBondContact OG-CG 3.47Å; S505-E508 PolarHBondContact OG-N 2.81Å; S505-E508 PolarHBondContact OG-OE2 2.93Å; E508-E511 PolarHBondContact O-N 3.31Å; E508-L512 PolarHBondContact O-N 2.98Å; E508-F572 HydrophobicContact CB-CE2 4.01Å; E508-F572 WeakPolarHBondContact O-CE2 3.44Å; E508-R578 IonicContact OE1-CZ 3.56Å; E508-R578 IonicContact OE1-NH1 2.58Å; E508-R578 IonicContact OE1-NH2 3.48Å; E508-R578 PolarHBondContact OE1-NH2 2.8Å; E508-R578 IonicContact OE2-NH1 3.92Å; E508-R578 IonicContact OE2-NH2 3.58Å; E508-R578 PolarHBondContact OE2-NH2 3.36Å
509	F	88.1	Confident	82.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.6	-34.7	172.3	-70.5	-76.6	0	0	0	113.3	Y487 L489 R504 S505 Y506 N507 L512 L513 L528 I549 F552 L553 F572	Y487-F509 HydrophobicContact CD2-CD2 4.47Å; Y487-F509 AromaticContact CD2-CE2 3.98Å; Y487-F509 HydrophobicContact CD2-CE2 3.98Å; Y487-F509 HydrophobicContact CG-CE2 4.38Å; L489-F509 HydrophobicContact CD1-CE1 4.25Å; L489-F509 HydrophobicContact CD1-CZ 3.8Å; L489-F509 HydrophobicContact CD2-CZ 3.93Å; L489-F509 HydrophobicContact CG-CZ 4.25Å; R504-F509 HydrophobicContact CB-CE2 3.8Å; R504-F509 HydrophobicContact CB-CZ 4Å; S505-F509 WeakPolarHBondContact O-CD2 3.48Å; S505-F509 PolarHBondContact O-N 2.96Å; Y506-F509 WeakPolarHBondContact O-CB 3.26Å; Y506-F509 PolarHBondContact O-N 2.74Å; N507-F509 PolarHBondContact O-N 3.43Å; F509-L512 PolarHBondContact O-N 3.49Å; F509-L513 WeakPolarHBondContact O-CB 3.42Å; F509-L513 PolarHBondContact O-N 2.95Å; F509-L528 HydrophobicContact CB-CD1 3.68Å; F509-I549 HydrophobicContact CD1-CG2 4.1Å; F509-I549 HydrophobicContact CD2-CD1 3.62Å; F509-I549 HydrophobicContact CD2-CG1 3.94Å; F509-I549 HydrophobicContact CD2-CG2 4.44Å; F509-I549 HydrophobicContact CE1-CG2 3.68Å; F509-I549 HydrophobicContact CE2-CD1 3.66Å; F509-I549 HydrophobicContact CE2-CG1 4.21Å; F509-I549 HydrophobicContact CE2-CG2 4.07Å; F509-I549 HydrophobicContact CG-CD1 4.33Å; F509-I549 HydrophobicContact CG-CG1 4.15Å; F509-I549 HydrophobicContact CG-CG2 4.47Å; F509-I549 HydrophobicContact CZ-CD1 4.36Å; F509-I549 HydrophobicContact CZ-CG2 3.67Å; F509-F552 HydrophobicContact CD1-CD1 4.31Å; F509-F552 HydrophobicContact CD1-CE1 4.22Å; F509-L553 HydrophobicContact CE1-CD1 4.34Å; F509-L553 HydrophobicContact CE1-CD2 4.21Å; F509-F572 HydrophobicContact CD1-CE1 4.03Å; F509-F572 AromaticContact CD1-CZ 3.66Å; F509-F572 HydrophobicContact CD1-CZ 3.66Å; F509-F572 AromaticContact CE1-CE1 3.68Å; F509-F572 HydrophobicContact CE1-CE1 3.68Å; F509-F572 AromaticContact CE1-CZ 3.66Å; F509-F572 HydrophobicContact CE1-CZ 3.66Å; F509-F572 HydrophobicContact CG-CZ 4.15Å; F509-F572 HydrophobicContact CZ-CE1 4.29Å; F509-F572 HydrophobicContact CZ-CZ 4.14Å
510	L	85.1	Confident	83	Confident	18 Å²	18	49.1 Å²	49.1	9%	0.094	23%	0.225	C	C	.	.	H	α-helix	trans	-66.2	-41.7	173.2	-68.7	171.5	0	0	0	111	Y506 N507 L512 L513 E514 L528 R530	Y506-L510 HydrophobicContact CD1-CD1 3.91Å; Y506-L510 HydrophobicContact CD1-CG 4.15Å; Y506-L510 HydrophobicContact CE1-CD1 3.92Å; Y506-L510 HydrophobicContact CE1-CD2 4.17Å; Y506-L510 HydrophobicContact CE1-CG 4.05Å; Y506-L510 PolarHBondContact O-N 3.16Å; Y506-L510 VanDerWaalsContact O-N 3.12Å; N507-L510 WeakPolarHBondContact O-CA 3.35Å; N507-L510 WeakPolarHBondContact O-CB 3.3Å; N507-L510 PolarHBondContact O-N 3.18Å; L510-L512 PolarHBondContact O-N 3.33Å; L510-L513 WeakPolarHBondContact O-CB 3.17Å; L510-L513 PolarHBondContact O-N 3.08Å; L510-E514 WeakPolarHBondContact O-CG 3.39Å; L510-E514 PolarHBondContact O-N 2.72Å; L510-L528 HydrophobicContact CD2-CB 3.63Å; L510-R530 HydrophobicContact CD1-CG 4.24Å; L510-R530 HydrophobicContact CD2-CG 4.26Å
511	E	83.5	Confident	83.2	Confident	96 Å²	96	52.7 Å²	52.7	45%	0.449	25%	0.248	S	C	.	.	H	α-helix	trans	-61.6	-42.7	174.9	-71.1	172.3	-163.8	0	0	111.5	N507 E508 E514 A515	N507-E511 WeakPolarHBondContact O-CG 3.33Å; N507-E511 PolarHBondContact O-N 3Å; E508-E511 PolarHBondContact O-N 3.31Å; E511-E514 PolarHBondContact O-N 2.84Å; E511-A515 WeakPolarHBondContact O-CB 3.38Å; E511-A515 PolarHBondContact O-N 2.73Å
512	L	86.3	Confident	83.3	Confident	9 Å²	9	56.7 Å²	56.7	5%	0.047	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-45	173.2	178.4	63.9	0	0	0	111.7	E508 F509 L510 E514 A515 V516 F552 L556 F572	E508-L512 PolarHBondContact O-N 2.98Å; F509-L512 PolarHBondContact O-N 3.49Å; L510-L512 PolarHBondContact O-N 3.33Å; L512-E514 VanDerWaalsContact C-N 3.32Å; L512-E514 PolarHBondContact O-N 2.97Å; L512-A515 PolarHBondContact O-N 2.92Å; L512-V516 HydrophobicContact CD1-CG2 4.14Å; L512-V516 HydrophobicContact CG-CG2 4.42Å; L512-V516 WeakPolarHBondContact O-CB 3.38Å; L512-V516 VanDerWaalsContact O-CG2 3.27Å; L512-V516 WeakPolarHBondContact O-CG2 3.41Å; L512-V516 PolarHBondContact O-N 3.37Å; L512-F552 HydrophobicContact CD2-CE1 3.99Å; L512-F552 HydrophobicContact CD2-CZ 4.12Å; L512-F552 HydrophobicContact CG-CZ 4.28Å; L512-L556 HydrophobicContact CD2-CD2 4.37Å; L512-F572 HydrophobicContact CB-CD2 3.87Å; L512-F572 HydrophobicContact CB-CE2 3.97Å; L512-F572 HydrophobicContact CB-CG 4.44Å; L512-F572 HydrophobicContact CD1-CB 4.03Å; L512-F572 HydrophobicContact CD1-CD2 4.34Å; L512-F572 HydrophobicContact CD1-CG 4.25Å; L512-F572 HydrophobicContact CD2-CB 4.19Å; L512-F572 HydrophobicContact CD2-CD1 3.71Å; L512-F572 HydrophobicContact CD2-CD2 3.93Å; L512-F572 HydrophobicContact CD2-CE1 4Å; L512-F572 HydrophobicContact CD2-CE2 4.19Å; L512-F572 HydrophobicContact CD2-CG 3.67Å; L512-F572 HydrophobicContact CD2-CZ 4.22Å; L512-F572 HydrophobicContact CG-CD2 4.26Å; L512-F572 HydrophobicContact CG-CG 4.34Å
513	L	84.7	Confident	83.2	Confident	14 Å²	14	57.5 Å²	57.5	7%	0.073	28%	0.279	C	S	.	.	H	α-helix	trans	-58	-46	177.5	-178.9	70.3	0	0	0	111	F509 L510 V516 Y517 V525 L528 F552	F509-L513 WeakPolarHBondContact O-CB 3.42Å; F509-L513 PolarHBondContact O-N 2.95Å; L510-L513 WeakPolarHBondContact O-CB 3.17Å; L510-L513 PolarHBondContact O-N 3.08Å; L513-V516 PolarHBondContact O-N 2.96Å; L513-Y517 HydrophobicContact CD1-CD2 4.01Å; L513-Y517 HydrophobicContact CD1-CE2 3.53Å; L513-Y517 HydrophobicContact CD2-CE2 4.33Å; L513-Y517 HydrophobicContact CG-CD2 3.91Å; L513-Y517 HydrophobicContact CG-CE2 3.75Å; L513-Y517 VanDerWaalsContact O-CD2 3.23Å; L513-Y517 WeakPolarHBondContact O-CD2 3.44Å; L513-Y517 PolarHBondContact O-N 2.81Å; L513-V525 HydrophobicContact CD1-CB 4.48Å; L513-V525 HydrophobicContact CD1-CG2 3.48Å; L513-V525 VanDerWaalsContact CD1-CG2 3.48Å; L513-L528 HydrophobicContact CD2-CB 3.98Å; L513-L528 HydrophobicContact CD2-CG 4.32Å; L513-F552 HydrophobicContact CB-CE2 4.32Å; L513-F552 HydrophobicContact CB-CZ 4.41Å; L513-F552 HydrophobicContact CD1-CD2 3.92Å; L513-F552 HydrophobicContact CD1-CE2 3.47Å; L513-F552 VanDerWaalsContact CD1-CE2 3.47Å; L513-F552 HydrophobicContact CD1-CZ 4.33Å
514	E	82.4	Confident	83.2	Confident	88 Å²	88	66 Å²	66	41%	0.411	32%	0.316	S	S	.	.	H	α-helix	trans	-64.8	-43.5	178.1	-73.9	169	-140.5	0	0	112.2	L510 E511 L512 V516 Y517 Y518 R530	L510-E514 WeakPolarHBondContact O-CG 3.39Å; L510-E514 PolarHBondContact O-N 2.72Å; E511-E514 PolarHBondContact O-N 2.84Å; L512-E514 VanDerWaalsContact C-N 3.32Å; L512-E514 PolarHBondContact O-N 2.97Å; E514-V516 VanDerWaalsContact C-N 3.33Å; E514-V516 PolarHBondContact O-N 3.47Å; E514-Y517 PolarHBondContact O-N 3.28Å; E514-Y518 WeakPolarHBondContact O-CB 3.34Å; E514-Y518 PolarHBondContact O-N 3.22Å; E514-R530 IonicContact OE1-CZ 3.57Å; E514-R530 IonicContact OE1-NE 3.42Å; E514-R530 IonicContact OE1-NH2 3.05Å; E514-R530 PolarHBondContact OE1-NH2 3.48Å; E514-R530 IonicContact OE2-NH2 3.59Å; E514-R530 PolarHBondContact OE2-NH2 3.31Å
515	A	80.6	Confident	83.1	Confident	34 Å²	34	66 Å²	66	28%	0.281	32%	0.317	S	S	.	.	H	α-helix	trans	-63.2	-38.9	176.4	0	0	0	0	0	112.3	E511 L512 Y518 R519 L568	E511-A515 WeakPolarHBondContact O-CB 3.38Å; E511-A515 PolarHBondContact O-N 2.73Å; L512-A515 PolarHBondContact O-N 2.92Å; A515-Y518 PolarHBondContact O-N 3.41Å; A515-R519 WeakPolarHBondContact O-CB 3.32Å; A515-R519 PolarHBondContact O-N 2.87Å; A515-L568 HydrophobicContact CB-CD1 4.35Å; A515-L568 HydrophobicContact CB-CD2 4.37Å
516	V	81.9	Confident	83.2	Confident	0 Å²	0	68 Å²	68	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66	-45.6	175.5	170	0	0	0	0	110.9	L512 L513 E514 Y518 R519 F520 V523 L556	L512-V516 HydrophobicContact CD1-CG2 4.14Å; L512-V516 HydrophobicContact CG-CG2 4.42Å; L512-V516 WeakPolarHBondContact O-CB 3.38Å; L512-V516 VanDerWaalsContact O-CG2 3.27Å; L512-V516 WeakPolarHBondContact O-CG2 3.41Å; L512-V516 PolarHBondContact O-N 3.37Å; L513-V516 PolarHBondContact O-N 2.96Å; E514-V516 VanDerWaalsContact C-N 3.33Å; E514-V516 PolarHBondContact O-N 3.47Å; V516-Y518 VanDerWaalsContact C-N 3.33Å; V516-Y518 PolarHBondContact O-N 3.48Å; V516-R519 PolarHBondContact O-N 3.45Å; V516-F520 HydrophobicContact CG1-CD2 4.36Å; V516-F520 WeakPolarHBondContact O-CA 3.29Å; V516-F520 WeakPolarHBondContact O-CB 3.36Å; V516-F520 PolarHBondContact O-N 2.92Å; V516-V523 HydrophobicContact CG1-CG1 4.37Å; V516-L556 HydrophobicContact CG1-CD1 4.41Å; V516-L556 HydrophobicContact CG2-CD1 4.31Å
517	Y	84.8	Confident	83.2	Confident	87 Å²	87	71.4 Å²	71.4	34%	0.341	35%	0.348	S	S	.	.	H	α-helix	trans	-64.3	-37.8	176.2	-84.7	-62.1	0	0	0	112.8	L513 E514 F520 P521 V523 V525	L513-Y517 HydrophobicContact CD1-CD2 4.01Å; L513-Y517 HydrophobicContact CD1-CE2 3.53Å; L513-Y517 HydrophobicContact CD2-CE2 4.33Å; L513-Y517 HydrophobicContact CG-CD2 3.91Å; L513-Y517 HydrophobicContact CG-CE2 3.75Å; L513-Y517 VanDerWaalsContact O-CD2 3.23Å; L513-Y517 WeakPolarHBondContact O-CD2 3.44Å; L513-Y517 PolarHBondContact O-N 2.81Å; E514-Y517 PolarHBondContact O-N 3.28Å; Y517-F520 CarbonylContact O-C 3.53Å; Y517-P521 VanDerWaalsContact O-CA 3.3Å; Y517-P521 WeakPolarHBondContact O-CA 3.37Å; Y517-V523 WeakPolarHBondContact CE1-O 3.23Å; Y517-V525 HydrophobicContact CE2-CG2 4.09Å; Y517-V525 PolarHBondContact OH-O 3.42Å
518	Y	80.4	Confident	83.3	Confident	207 Å²	207	67.1 Å²	67.1	81%	0.812	33%	0.325	S	S	*	.	H	α-helix	trans	-64.9	-43.5	177.6	-175.7	-95.1	0	0	0	111.6	E514 A515 V516	E514-Y518 WeakPolarHBondContact O-CB 3.34Å; E514-Y518 PolarHBondContact O-N 3.22Å; A515-Y518 PolarHBondContact O-N 3.41Å; V516-Y518 VanDerWaalsContact C-N 3.33Å; V516-Y518 PolarHBondContact O-N 3.48Å
519	R	79.5	Confident	83.2	Confident	132 Å²	132	68 Å²	68	50%	0.498	33%	0.334	S	S	.	.	H	α-helix	trans	-81	-30.9	-179.1	-169.8	161.5	-175.5	155.3	-11.4	113.6	A515 V516 D567 L568	A515-R519 WeakPolarHBondContact O-CB 3.32Å; A515-R519 PolarHBondContact O-N 2.87Å; V516-R519 PolarHBondContact O-N 3.45Å; R519-D567 IonicContact CZ-OD1 2.79Å; R519-D567 VanDerWaalsContact CZ-OD1 3.29Å; R519-D567 IonicContact CZ-OD2 3.84Å; R519-D567 IonicContact NE-OD1 3.09Å; R519-D567 IonicContact NH1-OD1 2.8Å; R519-D567 PolarHBondContact NH1-OD1 3.03Å; R519-D567 VanDerWaalsContact NH1-OD1 3.17Å; R519-D567 IonicContact NH1-OD2 2.74Å; R519-D567 PolarHBondContact NH1-OD2 3.17Å; R519-D567 IonicContact NH2-OD1 3.63Å; R519-D567 PolarHBondContact NH2-OD1 3.26Å; R519-D567 IonicContact NH2-OD2 2.59Å; R519-D567 PolarHBondContact NH2-OD2 2.95Å; R519-D567 VanDerWaalsContact NH2-OD2 3.16Å; R519-L568 HydrophobicContact CB-CD1 3.74Å; R519-L568 VanDerWaalsContact CD-CD1 3.45Å; R519-L568 HydrophobicContact CG-CD1 4.2Å
520	F	85.9	Confident	82.5	Confident	46 Å²	46	76.7 Å²	76.7	20%	0.202	37%	0.367	C	S	.	.			trans	-129.9	75.2	-178.5	-50.4	-76.5	0	0	0	110.9	V516 Y517 L522 V523 V563	V516-F520 HydrophobicContact CG1-CD2 4.36Å; V516-F520 WeakPolarHBondContact O-CA 3.29Å; V516-F520 WeakPolarHBondContact O-CB 3.36Å; V516-F520 PolarHBondContact O-N 2.92Å; Y517-F520 CarbonylContact O-C 3.53Å; F520-L522 PolarHBondContact O-N 3.33Å; F520-V523 HydrophobicContact CB-CB 4.08Å; F520-V523 HydrophobicContact CB-CG2 3.51Å; F520-V523 HydrophobicContact CG-CG2 4.38Å; F520-V523 WeakPolarHBondContact O-CB 3.46Å; F520-V523 PolarHBondContact O-N 2.89Å; F520-V563 HydrophobicContact CD1-CG2 4.21Å; F520-V563 HydrophobicContact CD2-CG1 4.27Å; F520-V563 HydrophobicContact CE1-CG2 4.43Å; F520-V563 HydrophobicContact CG-CG2 4.25Å
521	P	82.6	Confident	81.3	Confident	100 Å²	100	78 Å²	78	65%	0.649	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.4	-172.9	-26.4	35.6	0	0	0	115.4	Y517	Y517-P521 VanDerWaalsContact O-CA 3.3Å; Y517-P521 WeakPolarHBondContact O-CA 3.37Å
522	L	82.7	Confident	79.8	Confident	171 Å²	171	84.8 Å²	84.8	90%	0.895	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-9.6	-178.8	-60.3	178	0	0	0	113.8	F520	F520-L522 PolarHBondContact O-N 3.33Å
523	V	80.4	Confident	78	Confident	17 Å²	17	89.7 Å²	89.7	10%	0.103	44%	0.441	C	S	.	.			trans	-77.6	131.2	-174.7	167.5	0	0	0	0	110.9	V516 Y517 F520 V525 V563	V516-V523 HydrophobicContact CG1-CG1 4.37Å; Y517-V523 WeakPolarHBondContact CE1-O 3.23Å; F520-V523 HydrophobicContact CB-CB 4.08Å; F520-V523 HydrophobicContact CB-CG2 3.51Å; F520-V523 HydrophobicContact CG-CG2 4.38Å; F520-V523 WeakPolarHBondContact O-CB 3.46Å; F520-V523 PolarHBondContact O-N 2.89Å; V523-V525 HydrophobicContact CG1-CG1 3.76Å; V523-V525 HydrophobicContact CG1-CG2 4.42Å; V523-V563 HydrophobicContact CG1-CG1 4.25Å; V523-V563 HydrophobicContact CG2-CG1 4.14Å; V523-V563 HydrophobicContact CG2-CG2 3.77Å
524	K	82.1	Confident	76	Confident	179 Å²	179	96 Å²	96	78%	0.778	47%	0.474	S	S	*	.			trans	-107.8	80.7	176.3	-70.5	-174.7	-179.5	177.4	0	110.6	H559	K524-H559 PolarHBondContact O-CE1 2.76Å
525	V	81.1	Confident	74.3	Confident	8 Å²	8	103.5 Å²	103.5	5%	0.048	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-83	156.4	170.2	-78.2	0	0	0	0	111.9	L513 Y517 V523 S527 F552 S555 L556	L513-V525 HydrophobicContact CD1-CB 4.48Å; L513-V525 HydrophobicContact CD1-CG2 3.48Å; L513-V525 VanDerWaalsContact CD1-CG2 3.48Å; Y517-V525 HydrophobicContact CE2-CG2 4.09Å; Y517-V525 PolarHBondContact OH-O 3.42Å; V523-V525 HydrophobicContact CG1-CG1 3.76Å; V523-V525 HydrophobicContact CG1-CG2 4.42Å; V525-S527 PolarHBondContact O-N 2.93Å; V525-F552 HydrophobicContact CB-CD2 4.31Å; V525-F552 HydrophobicContact CB-CE2 4.19Å; V525-F552 HydrophobicContact CG2-CE2 4.19Å; V525-S555 WeakPolarHBondContact CA-OG 3.33Å; V525-L556 HydrophobicContact CG1-CB 4.35Å; V525-L556 HydrophobicContact CG1-CD1 4.14Å
526	H	85.1	Confident	72.9	Confident	74 Å²	74	106.9 Å²	106.9	34%	0.343	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-60	124.2	176.7	-175.9	86	0	0	0	111.1	F551 F552 S555	H526-F551 HydrophobicContact CB-CB 4.48Å; H526-F552 WeakPolarHBondContact O-CD2 3.45Å; H526-S555 PolarHBondContact N-OG 3.3Å
527	S	83.5	Confident	71.9	Confident	79 Å²	79	111.5 Å²	111.5	55%	0.552	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-68.2	138.7	-176.5	58.3	0	0	0	0	112.4	V525	V525-S527 PolarHBondContact O-N 2.93Å
528	L	86.1	Confident	71	Confident	9 Å²	9	112 Å²	112	5%	0.047	56%	0.557	C	S	.	*			trans	-100.2	115.2	170.8	-65.7	174.2	0	0	0	109.6	Y506 F509 L510 L513 R530 E548 F552	Y506-L528 HydrophobicContact CE2-CD2 4.3Å; F509-L528 HydrophobicContact CB-CD1 3.68Å; L510-L528 HydrophobicContact CD2-CB 3.63Å; L513-L528 HydrophobicContact CD2-CB 3.98Å; L513-L528 HydrophobicContact CD2-CG 4.32Å; L528-R530 PolarHBondContact O-N 3.17Å; L528-E548 HydrophobicContact CD2-CB 3.94Å; L528-F552 HydrophobicContact CD1-CB 4.42Å; L528-F552 HydrophobicContact CD1-CD1 4.03Å; L528-F552 HydrophobicContact CD1-CE1 4.46Å; L528-F552 HydrophobicContact CD1-CG 4.06Å; L528-F552 HydrophobicContact CD2-CB 3.85Å; L528-F552 HydrophobicContact CD2-CG 4.38Å; L528-F552 HydrophobicContact CG-CB 4.16Å; L528-F552 HydrophobicContact CG-CG 4.2Å
529	P	81.3	Confident	70.4	Confident	61 Å²	61	109 Å²	109	40%	0.396	54%	0.544	S	S	.	.			trans	-66.2	124.5	-176.8	22.6	-31.6	0	0	0	112.8	Y506 G531 E548	Y506-P529 VanDerWaalsContact OH-CD 3.29Å; Y506-P529 WeakPolarHBondContact OH-CD 3.5Å; Y506-P529 PolarHBondContact OH-O 3.01Å; Y506-P529 VanDerWaalsContact OH-O 3.1Å; P529-G531 PolarHBondContact O-N 3.18Å; P529-E548 WeakPolarHBondContact CD-OE2 3.14Å; P529-E548 WeakPolarHBondContact CG-OE1 3.29Å; P529-E548 WeakPolarHBondContact CG-OE2 3.46Å
530	R	72.7	Confident	70.1	Confident	181 Å²	181	106.7 Å²	106.7	68%	0.683	55%	0.545	S	S	*	.			trans	-70.6	79.4	165.9	-71.7	-177.5	175.6	176.8	-4.9	109.7	L510 E514 L528	L510-R530 HydrophobicContact CD1-CG 4.24Å; L510-R530 HydrophobicContact CD2-CG 4.26Å; E514-R530 IonicContact OE1-CZ 3.57Å; E514-R530 IonicContact OE1-NE 3.42Å; E514-R530 IonicContact OE1-NH2 3.05Å; E514-R530 PolarHBondContact OE1-NH2 3.48Å; E514-R530 IonicContact OE2-NH2 3.59Å; E514-R530 PolarHBondContact OE2-NH2 3.31Å; L528-R530 PolarHBondContact O-N 3.17Å
531	G	60.5	Low	69.7	Low	45 Å²	45	107.5 Å²	107.5	46%	0.464	55%	0.553	S	S	.	*			trans	-65.8	133.8	-176	0	0	0	0	0	113.6	P529 S533	P529-G531 PolarHBondContact O-N 3.18Å; G531-S533 PolarHBondContact O-N 3.29Å
532	R	52.1	Low	69.4	Low	240 Å²	240	102.9 Å²	102.9	91%	0.906	52%	0.524	S	S	*	.			trans	-66.6	109.3	162.5	-69.7	-178.6	-176.3	178.5	1	108.1	L534	R532-L534 PolarHBondContact O-N 2.91Å
533	S	46.8	Very low	69.2	Low	111 Å²	111	98.3 Å²	98.3	78%	0.776	50%	0.5	S	S	*	.			trans	-68.7	91.5	-179.3	-170.5	0	0	0	0	110.8	G531	G531-S533 PolarHBondContact O-N 3.29Å
534	L	42.9	Very low	69.3	Low	148 Å²	148	105.9 Å²	105.9	78%	0.775	53%	0.527	S	S	*	.			trans	-78.7	119.5	161.2	-88.3	134.4	0	0	0	108	R532 S536	R532-L534 PolarHBondContact O-N 2.91Å; L534-S536 PolarHBondContact O-N 2.85Å
535	R	48.5	Very low	69.5	Low	244 Å²	244	100.3 Å²	100.3	92%	0.921	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	3	-164.5	-93.4	178.6	166.7	170.2	-3.3	118.2
536	S	49.4	Very low	69.6	Low	106 Å²	106	101.4 Å²	101.4	74%	0.741	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-3.8	-159	51.4	0	0	0	0	118	L534	L534-S536 PolarHBondContact O-N 2.85Å
537	N	61.3	Low	69.5	Low	96 Å²	96	102.6 Å²	102.6	51%	0.513	51%	0.514	S	S	.	.			trans	-160.2	73.2	174	-131.6	-36.2	0	0	0	115.6	R539 V540 V541	N537-R539 VanDerWaalsContact C-N 3.25Å; N537-R539 PolarHBondContact O-N 3.35Å; N537-R539 VanDerWaalsContact O-N 3.16Å; N537-V540 HydrophobicContact CB-CB 4.19Å; N537-V540 HydrophobicContact CB-CG2 4.18Å; N537-V540 PolarHBondContact O-N 3.34Å; N537-V541 WeakPolarHBondContact O-CG2 3.25Å; N537-V541 PolarHBondContact O-N 3.44Å; N537-V541 VanDerWaalsContact O-N 3.15Å
538	V	66.8	Low	69.7	Low	98 Å²	98	99.9 Å²	99.9	59%	0.594	49%	0.492	S	S	*	.	H	α-helix	trans	-52.1	-40.6	-175.6	-178	0	0	0	0	112.9	A542	V538-A542 WeakPolarHBondContact O-CB 3.45Å; V538-A542 PolarHBondContact O-N 3.03Å
539	R	67.4	Low	69.7	Low	143 Å²	143	99.4 Å²	99.4	54%	0.54	49%	0.49	S	S	.	.	H	α-helix	trans	-67.1	-45.6	-178.7	-178.2	177.6	178.4	178	-2.6	113	Y484 N537 V541 A542 L543	Y484-R539 HydrophobicContact CD1-CG 4.18Å; Y484-R539 HydrophobicContact CD2-CB 4.21Å; Y484-R539 HydrophobicContact CE1-CB 4.48Å; Y484-R539 HydrophobicContact CE1-CG 3.78Å; Y484-R539 HydrophobicContact CE2-CB 4.07Å; Y484-R539 HydrophobicContact CE2-CG 4.15Å; Y484-R539 HydrophobicContact CG-CB 4.47Å; Y484-R539 WeakPolarHBondContact OH-CD 3.24Å; N537-R539 VanDerWaalsContact C-N 3.25Å; N537-R539 PolarHBondContact O-N 3.35Å; N537-R539 VanDerWaalsContact O-N 3.16Å; R539-V541 VanDerWaalsContact C-N 3.31Å; R539-A542 PolarHBondContact O-N 3.43Å; R539-L543 HydrophobicContact CG-CD1 4.11Å; R539-L543 WeakPolarHBondContact O-CG 3.48Å; R539-L543 PolarHBondContact O-N 3.01Å
540	V	73.3	Confident	70	Confident	85 Å²	85	102.5 Å²	102.5	52%	0.515	49%	0.493	S	S	.	.	H	α-helix	trans	-64	-42.4	179.7	177.4	0	0	0	0	110	N537 A542 L543 R544	N537-V540 HydrophobicContact CB-CB 4.19Å; N537-V540 HydrophobicContact CB-CG2 4.18Å; N537-V540 PolarHBondContact O-N 3.34Å; V540-A542 VanDerWaalsContact C-N 3.35Å; V540-A542 PolarHBondContact O-N 3.45Å; V540-L543 PolarHBondContact O-N 3.11Å; V540-R544 WeakPolarHBondContact O-CB 3.41Å; V540-R544 PolarHBondContact O-N 3.19Å
541	V	77.3	Confident	70.7	Confident	62 Å²	62	99 Å²	99	38%	0.376	48%	0.483	S	S	.	.	H	α-helix	trans	-60.7	-45	175.4	174.7	0	0	0	0	110.9	N537 R539 R544 R545	N537-V541 WeakPolarHBondContact O-CG2 3.25Å; N537-V541 PolarHBondContact O-N 3.44Å; N537-V541 VanDerWaalsContact O-N 3.15Å; R539-V541 VanDerWaalsContact C-N 3.31Å; V541-R544 PolarHBondContact O-N 3.42Å; V541-R545 HydrophobicContact CG1-CG 4.39Å; V541-R545 WeakPolarHBondContact O-CB 3.42Å; V541-R545 VanDerWaalsContact O-CG 3.24Å; V541-R545 WeakPolarHBondContact O-CG 3.38Å; V541-R545 PolarHBondContact O-N 3.06Å
542	A	77.3	Confident	72.1	Confident	4 Å²	4	96.9 Å²	96.9	3%	0.033	46%	0.461	C	S	.	.	H	α-helix	trans	-66.9	-39	179.6	0	0	0	0	0	113.1	L480 Y484 Y487 V538 R539 V540 R545 Q546	L480-A542 HydrophobicContact CD1-CB 4.44Å; L480-A542 HydrophobicContact CD2-CB 3.66Å; Y484-A542 WeakPolarHBondContact O-CB 3.45Å; Y487-A542 PolarHBondContact OH-O 3.02Å; V538-A542 WeakPolarHBondContact O-CB 3.45Å; V538-A542 PolarHBondContact O-N 3.03Å; R539-A542 PolarHBondContact O-N 3.43Å; V540-A542 VanDerWaalsContact C-N 3.35Å; V540-A542 PolarHBondContact O-N 3.45Å; A542-R545 PolarHBondContact O-N 2.98Å; A542-Q546 WeakPolarHBondContact O-CB 3.24Å; A542-Q546 PolarHBondContact O-N 3.22Å
543	L	76.9	Confident	73.8	Confident	75 Å²	75	85.7 Å²	85.7	39%	0.393	42%	0.42	S	S	.	.	H	α-helix	trans	-64.4	-41.5	174.2	-77.4	166.6	0	0	0	112.2	L480 R539 V540 Q546 L547	L480-L543 HydrophobicContact CD1-CB 4.49Å; L480-L543 HydrophobicContact CD1-CD2 3.44Å; L480-L543 VanDerWaalsContact CD1-CD2 3.44Å; L480-L543 HydrophobicContact CD1-CG 3.73Å; R539-L543 HydrophobicContact CG-CD1 4.11Å; R539-L543 WeakPolarHBondContact O-CG 3.48Å; R539-L543 PolarHBondContact O-N 3.01Å; V540-L543 PolarHBondContact O-N 3.11Å; L543-Q546 WeakPolarHBondContact O-CB 3.39Å; L543-Q546 PolarHBondContact O-N 3.41Å; L543-L547 PolarHBondContact O-N 3Å
544	R	82.7	Confident	75.7	Confident	176 Å²	176	88.9 Å²	88.9	66%	0.664	42%	0.415	S	S	*	.	H	α-helix	trans	-61.2	-49.7	173.9	-175.1	-174	-177.9	163.8	8.6	111.1	V540 V541 Q546 L547 E548	V540-R544 WeakPolarHBondContact O-CB 3.41Å; V540-R544 PolarHBondContact O-N 3.19Å; V541-R544 PolarHBondContact O-N 3.42Å; R544-Q546 VanDerWaalsContact C-N 3.26Å; R544-Q546 PolarHBondContact O-N 2.88Å; R544-L547 WeakPolarHBondContact O-CB 3.38Å; R544-L547 PolarHBondContact O-N 3.35Å; R544-L547 VanDerWaalsContact O-N 3.07Å; R544-E548 IonicContact NE-OE1 3.69Å; R544-E548 PolarHBondContact NE-OE1 3.11Å; R544-E548 PolarHBondContact O-N 3.22Å; R544-E548 VanDerWaalsContact O-N 3.14Å
545	R	85.9	Confident	77.8	Confident	62 Å²	62	83.2 Å²	83.2	23%	0.234	39%	0.388	C	S	.	.	H	α-helix	trans	-60.6	-32.3	176.7	-75.9	177	168.7	178.3	-3.5	112.9	Y487 Y506 V541 A542 L547 E548 I549	Y487-R545 WeakPolarHBondContact OH-CB 3.42Å; Y506-R545 HydrophobicContact CD2-CB 3.66Å; Y506-R545 HydrophobicContact CD2-CG 3.67Å; Y506-R545 HydrophobicContact CE1-CG 4.47Å; Y506-R545 HydrophobicContact CE2-CB 3.59Å; Y506-R545 HydrophobicContact CE2-CG 3.4Å; Y506-R545 HydrophobicContact CG-CG 4.3Å; V541-R545 HydrophobicContact CG1-CG 4.39Å; V541-R545 WeakPolarHBondContact O-CB 3.42Å; V541-R545 VanDerWaalsContact O-CG 3.24Å; V541-R545 WeakPolarHBondContact O-CG 3.38Å; V541-R545 PolarHBondContact O-N 3.06Å; A542-R545 PolarHBondContact O-N 2.98Å; R545-L547 VanDerWaalsContact C-N 3.31Å; R545-L547 PolarHBondContact O-N 3.23Å; R545-E548 PolarHBondContact O-N 3.31Å; R545-I549 WeakPolarHBondContact O-CB 3.37Å; R545-I549 VanDerWaalsContact O-CG1 3.27Å; R545-I549 WeakPolarHBondContact O-CG1 3.26Å; R545-I549 PolarHBondContact O-N 3.29Å
546	Q	84.1	Confident	79.7	Confident	30 Å²	30	71.6 Å²	71.6	14%	0.14	34%	0.344	C	S	.	.	H	α-helix	trans	-59.8	-41.4	173.5	-169.9	-173	-10.3	0	0	111.6	V478 Y487 A542 L543 R544 R550	V478-Q546 HydrophobicContact CG1-CG 4.2Å; V478-Q546 PolarHBondContact O-NE2 3.4Å; Y487-Q546 HydrophobicContact CD1-CB 4.22Å; Y487-Q546 HydrophobicContact CD1-CG 4.25Å; Y487-Q546 HydrophobicContact CE1-CB 3.81Å; Y487-Q546 HydrophobicContact CE1-CG 4.35Å; A542-Q546 WeakPolarHBondContact O-CB 3.24Å; A542-Q546 PolarHBondContact O-N 3.22Å; L543-Q546 WeakPolarHBondContact O-CB 3.39Å; L543-Q546 PolarHBondContact O-N 3.41Å; R544-Q546 VanDerWaalsContact C-N 3.26Å; R544-Q546 PolarHBondContact O-N 2.88Å; Q546-R550 VanDerWaalsContact O-CG 3.3Å; Q546-R550 WeakPolarHBondContact O-CG 3.5Å; Q546-R550 PolarHBondContact O-N 3.26Å; Q546-R550 VanDerWaalsContact O-N 3.13Å
547	L	83.6	Confident	81.5	Confident	100 Å²	100	68.7 Å²	68.7	52%	0.524	32%	0.318	S	S	.	.	H	α-helix	trans	-68.1	-44.3	176	-69.9	166.6	0	0	0	111.2	L543 R544 R545 I549 R550 F551	L543-L547 PolarHBondContact O-N 3Å; R544-L547 WeakPolarHBondContact O-CB 3.38Å; R544-L547 PolarHBondContact O-N 3.35Å; R544-L547 VanDerWaalsContact O-N 3.07Å; R545-L547 VanDerWaalsContact C-N 3.31Å; R545-L547 PolarHBondContact O-N 3.23Å; L547-I549 VanDerWaalsContact C-N 3.35Å; L547-I549 PolarHBondContact O-N 2.93Å; L547-R550 WeakPolarHBondContact O-CB 3.24Å; L547-R550 PolarHBondContact O-N 3.47Å; L547-R550 VanDerWaalsContact O-N 3.1Å; L547-F551 HydrophobicContact CB-CE2 4.38Å; L547-F551 WeakPolarHBondContact O-CD2 3.17Å; L547-F551 PolarHBondContact O-N 3.39Å
548	E	86.7	Confident	82.6	Confident	21 Å²	21	71.1 Å²	71.1	10%	0.098	33%	0.328	C	S	.	.	H	α-helix	trans	-57.9	-45.1	176.1	-65.5	168	-175.9	0	0	111.7	Y506 L528 P529 R544 R545 R550 F551 F552	Y506-E548 PolarHBondContact OH-OE2 2.88Å; L528-E548 HydrophobicContact CD2-CB 3.94Å; P529-E548 WeakPolarHBondContact CD-OE2 3.14Å; P529-E548 WeakPolarHBondContact CG-OE1 3.29Å; P529-E548 WeakPolarHBondContact CG-OE2 3.46Å; R544-E548 IonicContact NE-OE1 3.69Å; R544-E548 PolarHBondContact NE-OE1 3.11Å; R544-E548 PolarHBondContact O-N 3.22Å; R544-E548 VanDerWaalsContact O-N 3.14Å; R545-E548 PolarHBondContact O-N 3.31Å; E548-R550 VanDerWaalsContact C-N 3.33Å; E548-R550 PolarHBondContact O-N 2.81Å; E548-F551 PolarHBondContact O-N 3.3Å; E548-F552 WeakPolarHBondContact O-CB 3.44Å; E548-F552 PolarHBondContact O-N 2.67Å
549	I	86.9	Confident	83.5	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.4	-42.9	174.8	-70.2	162.6	0	0	0	110.6	V478 Y487 Y506 F509 R545 L547 F551 F552 L553	V478-I549 HydrophobicContact CG1-CG2 4.01Å; V478-I549 HydrophobicContact CG2-CG2 4.28Å; Y487-I549 HydrophobicContact CD1-CD1 3.76Å; Y487-I549 HydrophobicContact CD2-CD1 3.39Å; Y487-I549 HydrophobicContact CE1-CD1 3.71Å; Y487-I549 HydrophobicContact CE2-CD1 3.37Å; Y487-I549 HydrophobicContact CG-CD1 3.62Å; Y506-I549 HydrophobicContact CD2-CD1 3.92Å; Y506-I549 HydrophobicContact CD2-CG1 4.18Å; Y506-I549 HydrophobicContact CE2-CD1 4.49Å; Y506-I549 HydrophobicContact CE2-CG1 4.31Å; F509-I549 HydrophobicContact CD1-CG2 4.1Å; F509-I549 HydrophobicContact CD2-CD1 3.62Å; F509-I549 HydrophobicContact CD2-CG1 3.94Å; F509-I549 HydrophobicContact CD2-CG2 4.44Å; F509-I549 HydrophobicContact CE1-CG2 3.68Å; F509-I549 HydrophobicContact CE2-CD1 3.66Å; F509-I549 HydrophobicContact CE2-CG1 4.21Å; F509-I549 HydrophobicContact CE2-CG2 4.07Å; F509-I549 HydrophobicContact CG-CD1 4.33Å; F509-I549 HydrophobicContact CG-CG1 4.15Å; F509-I549 HydrophobicContact CG-CG2 4.47Å; F509-I549 HydrophobicContact CZ-CD1 4.36Å; F509-I549 HydrophobicContact CZ-CG2 3.67Å; R545-I549 WeakPolarHBondContact O-CB 3.37Å; R545-I549 VanDerWaalsContact O-CG1 3.27Å; R545-I549 WeakPolarHBondContact O-CG1 3.26Å; R545-I549 PolarHBondContact O-N 3.29Å; L547-I549 VanDerWaalsContact C-N 3.35Å; L547-I549 PolarHBondContact O-N 2.93Å; I549-F551 VanDerWaalsContact C-N 3.32Å; I549-F551 PolarHBondContact O-N 3.11Å; I549-F552 PolarHBondContact O-N 3.12Å; I549-L553 HydrophobicContact CG2-CD1 3.96Å; I549-L553 HydrophobicContact CG2-CG 4.12Å; I549-L553 WeakPolarHBondContact O-CB 3.24Å; I549-L553 VanDerWaalsContact O-CG 3.31Å; I549-L553 WeakPolarHBondContact O-CG 3.31Å; I549-L553 PolarHBondContact O-N 2.98Å
550	R	86.6	Confident	84.3	Confident	125 Å²	125	65.3 Å²	65.3	47%	0.472	31%	0.31	S	S	.	.	H	α-helix	trans	-62.6	-39.5	178.2	-72.3	176	92	150	5.7	112	V478 Q546 L547 E548 R554	V478-R550 HydrophobicContact CB-CG 3.79Å; V478-R550 HydrophobicContact CG2-CG 3.75Å; Q546-R550 VanDerWaalsContact O-CG 3.3Å; Q546-R550 WeakPolarHBondContact O-CG 3.5Å; Q546-R550 PolarHBondContact O-N 3.26Å; Q546-R550 VanDerWaalsContact O-N 3.13Å; L547-R550 WeakPolarHBondContact O-CB 3.24Å; L547-R550 PolarHBondContact O-N 3.47Å; L547-R550 VanDerWaalsContact O-N 3.1Å; E548-R550 VanDerWaalsContact C-N 3.33Å; E548-R550 PolarHBondContact O-N 2.81Å; R550-R554 VanDerWaalsContact O-CB 3.31Å; R550-R554 WeakPolarHBondContact O-CB 3.49Å; R550-R554 PolarHBondContact O-N 3.23Å
551	F	87.5	Confident	84.7	Confident	108 Å²	108	66.2 Å²	66.2	47%	0.474	31%	0.309	S	S	.	.	H	α-helix	trans	-68.4	-41.7	174.9	-68.1	-54.9	0	0	0	112.4	H526 L547 E548 I549 R554 S555	H526-F551 HydrophobicContact CB-CB 4.48Å; L547-F551 HydrophobicContact CB-CE2 4.38Å; L547-F551 WeakPolarHBondContact O-CD2 3.17Å; L547-F551 PolarHBondContact O-N 3.39Å; E548-F551 PolarHBondContact O-N 3.3Å; I549-F551 VanDerWaalsContact C-N 3.32Å; I549-F551 PolarHBondContact O-N 3.11Å; F551-R554 PolarHBondContact O-N 2.94Å; F551-S555 VanDerWaalsContact O-CB 3.28Å; F551-S555 WeakPolarHBondContact O-CB 3.32Å; F551-S555 PolarHBondContact O-N 3.21Å
552	F	90.2	Very high	84.9	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-57.3	-52.7	172.9	168.7	-111	0	0	0	112.3	F509 L512 L513 V525 H526 L528 E548 I549 R554 S555 L556	F509-F552 HydrophobicContact CD1-CD1 4.31Å; F509-F552 HydrophobicContact CD1-CE1 4.22Å; L512-F552 HydrophobicContact CD2-CE1 3.99Å; L512-F552 HydrophobicContact CD2-CZ 4.12Å; L512-F552 HydrophobicContact CG-CZ 4.28Å; L513-F552 HydrophobicContact CB-CE2 4.32Å; L513-F552 HydrophobicContact CB-CZ 4.41Å; L513-F552 HydrophobicContact CD1-CD2 3.92Å; L513-F552 HydrophobicContact CD1-CE2 3.47Å; L513-F552 VanDerWaalsContact CD1-CE2 3.47Å; L513-F552 HydrophobicContact CD1-CZ 4.33Å; V525-F552 HydrophobicContact CB-CD2 4.31Å; V525-F552 HydrophobicContact CB-CE2 4.19Å; V525-F552 HydrophobicContact CG2-CE2 4.19Å; H526-F552 WeakPolarHBondContact O-CD2 3.45Å; L528-F552 HydrophobicContact CD1-CB 4.42Å; L528-F552 HydrophobicContact CD1-CD1 4.03Å; L528-F552 HydrophobicContact CD1-CE1 4.46Å; L528-F552 HydrophobicContact CD1-CG 4.06Å; L528-F552 HydrophobicContact CD2-CB 3.85Å; L528-F552 HydrophobicContact CD2-CG 4.38Å; L528-F552 HydrophobicContact CG-CB 4.16Å; L528-F552 HydrophobicContact CG-CG 4.2Å; E548-F552 WeakPolarHBondContact O-CB 3.44Å; E548-F552 PolarHBondContact O-N 2.67Å; I549-F552 PolarHBondContact O-N 3.12Å; F552-R554 PolarHBondContact O-N 3.23Å; F552-S555 WeakPolarHBondContact O-CB 3.44Å; F552-S555 PolarHBondContact O-N 2.89Å; F552-S555 VanDerWaalsContact O-N 3.17Å; F552-L556 HydrophobicContact CZ-CD2 4.25Å; F552-L556 WeakPolarHBondContact O-CB 3.42Å; F552-L556 PolarHBondContact O-N 3.16Å
553	L	87.6	Confident	85.2	Confident	6 Å²	6	70.3 Å²	70.3	3%	0.031	32%	0.324	C	S	.	.	H	α-helix	trans	-62.8	-42.4	179.5	-66.8	-175.2	0	0	0	112	C475 V478 L489 F509 I549 S555 L556 F557 F573	C475-L553 HydrophobicContact CB-CD1 4.22Å; V478-L553 HydrophobicContact CG2-CD1 3.81Å; L489-L553 HydrophobicContact CD2-CD1 4Å; F509-L553 HydrophobicContact CE1-CD1 4.34Å; F509-L553 HydrophobicContact CE1-CD2 4.21Å; I549-L553 HydrophobicContact CG2-CD1 3.96Å; I549-L553 HydrophobicContact CG2-CG 4.12Å; I549-L553 WeakPolarHBondContact O-CB 3.24Å; I549-L553 VanDerWaalsContact O-CG 3.31Å; I549-L553 WeakPolarHBondContact O-CG 3.31Å; I549-L553 PolarHBondContact O-N 2.98Å; L553-S555 VanDerWaalsContact C-N 3.31Å; L553-S555 PolarHBondContact O-N 3.29Å; L553-L556 PolarHBondContact O-N 3.19Å; L553-F557 WeakPolarHBondContact O-CD2 3.48Å; L553-F557 PolarHBondContact O-N 3.38Å; L553-F573 HydrophobicContact CD1-CZ 4.45Å; L553-F573 HydrophobicContact CD2-CE2 4.41Å; L553-F573 HydrophobicContact CD2-CZ 3.66Å
554	R	86.8	Confident	85.5	Confident	177 Å²	177	66.8 Å²	66.8	67%	0.668	31%	0.306	S	S	*	.	H	α-helix	trans	-61.1	-41.8	175.2	-174.7	177.5	179.2	176.3	-0	111.6	R550 F551 F552 M558	R550-R554 VanDerWaalsContact O-CB 3.31Å; R550-R554 WeakPolarHBondContact O-CB 3.49Å; R550-R554 PolarHBondContact O-N 3.23Å; F551-R554 PolarHBondContact O-N 2.94Å; F552-R554 PolarHBondContact O-N 3.23Å; R554-M558 HydrophobicContact CG-CG 4.48Å; R554-M558 WeakPolarHBondContact O-CB 3.36Å; R554-M558 WeakPolarHBondContact O-CG 3.24Å; R554-M558 PolarHBondContact O-N 3.27Å
555	S	87.7	Confident	85.5	Confident	30 Å²	30	60.4 Å²	60.4	21%	0.21	28%	0.283	C	S	.	.	H	α-helix	trans	-65.9	-42.8	177.3	179.3	0	0	0	0	111.6	V525 H526 F551 F552 L553 M558 H559	V525-S555 WeakPolarHBondContact CA-OG 3.33Å; H526-S555 PolarHBondContact N-OG 3.3Å; F551-S555 VanDerWaalsContact O-CB 3.28Å; F551-S555 WeakPolarHBondContact O-CB 3.32Å; F551-S555 PolarHBondContact O-N 3.21Å; F552-S555 WeakPolarHBondContact O-CB 3.44Å; F552-S555 PolarHBondContact O-N 2.89Å; F552-S555 VanDerWaalsContact O-N 3.17Å; L553-S555 VanDerWaalsContact C-N 3.31Å; L553-S555 PolarHBondContact O-N 3.29Å; S555-M558 PolarHBondContact O-N 2.76Å; S555-H559 PolarHBondContact O-ND1 3.29Å
556	L	87.7	Confident	85.4	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.4	-48.9	178.5	-178.3	66.2	0	0	0	112.2	L512 V516 V525 F552 L553 M558 H559 V563 V569	L512-L556 HydrophobicContact CD2-CD2 4.37Å; V516-L556 HydrophobicContact CG1-CD1 4.41Å; V516-L556 HydrophobicContact CG2-CD1 4.31Å; V525-L556 HydrophobicContact CG1-CB 4.35Å; V525-L556 HydrophobicContact CG1-CD1 4.14Å; F552-L556 HydrophobicContact CZ-CD2 4.25Å; F552-L556 WeakPolarHBondContact O-CB 3.42Å; F552-L556 PolarHBondContact O-N 3.16Å; L553-L556 PolarHBondContact O-N 3.19Å; L556-M558 VanDerWaalsContact C-N 3.26Å; L556-M558 PolarHBondContact O-N 2.82Å; L556-H559 PolarHBondContact O-N 2.9Å; L556-V563 HydrophobicContact CD1-CG1 4.3Å; L556-V569 HydrophobicContact CD1-CG2 4.33Å; L556-V569 HydrophobicContact CD2-CG1 4.4Å; L556-V569 HydrophobicContact CD2-CG2 4.08Å; L556-V569 HydrophobicContact CG-CG2 4.49Å
557	F	86.6	Confident	85	Confident	44 Å²	44	60 Å²	60	19%	0.193	29%	0.288	C	S	.	.	H	α-helix	trans	-75.9	-7.2	-178.9	-72.3	-66.1	0	0	0	114.6	L473 C475 L553 A564 V569 F573	L473-F557 HydrophobicContact CB-CE1 3.96Å; L473-F557 HydrophobicContact CB-CZ 4.4Å; L473-F557 WeakPolarHBondContact O-CD1 3.43Å; L473-F557 VanDerWaalsContact O-CE1 3.31Å; L473-F557 WeakPolarHBondContact O-CE1 3.28Å; C475-F557 HydrophobicContact CB-CE2 3.93Å; L553-F557 WeakPolarHBondContact O-CD2 3.48Å; L553-F557 PolarHBondContact O-N 3.38Å; F557-A564 HydrophobicContact CD1-CB 4.45Å; F557-V569 HydrophobicContact CE1-CG1 4.25Å; F557-V569 HydrophobicContact CZ-CG1 4.33Å; F557-F573 HydrophobicContact CE2-CE2 4.03Å; F557-F573 AromaticContact CE2-CZ 3.88Å; F557-F573 HydrophobicContact CE2-CZ 3.88Å; F557-F573 HydrophobicContact CZ-CD2 4.14Å; F557-F573 AromaticContact CZ-CE2 3.65Å; F557-F573 HydrophobicContact CZ-CE2 3.65Å; F557-F573 AromaticContact CZ-CZ 3.9Å; F557-F573 HydrophobicContact CZ-CZ 3.9Å
558	M	85.6	Confident	84.9	Confident	147 Å²	147	56.8 Å²	56.8	72%	0.724	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-5	173.4	-69.2	-77.4	-82.4	0	0	113.1	R554 S555 L556	R554-M558 HydrophobicContact CG-CG 4.48Å; R554-M558 WeakPolarHBondContact O-CB 3.36Å; R554-M558 WeakPolarHBondContact O-CG 3.24Å; R554-M558 PolarHBondContact O-N 3.27Å; S555-M558 PolarHBondContact O-N 2.76Å; L556-M558 VanDerWaalsContact C-N 3.26Å; L556-M558 PolarHBondContact O-N 2.82Å
559	H	86.2	Confident	84.7	Confident	61 Å²	61	55.8 Å²	55.8	28%	0.282	27%	0.266	S	S	.	.	S	Bend	trans	-78.1	171.7	172.8	-79.9	79.2	0	0	0	111.5	K524 S555 L556 V563	K524-H559 PolarHBondContact O-CE1 2.76Å; S555-H559 PolarHBondContact O-ND1 3.29Å; L556-H559 PolarHBondContact O-N 2.9Å; H559-V563 HydrophobicContact CB-CB 4.17Å; H559-V563 HydrophobicContact CB-CG1 4.3Å
560	A	83.3	Confident	84.3	Confident	58 Å²	58	57.3 Å²	57.3	48%	0.479	27%	0.272	S	S	.	.			trans	-54.1	152.3	177.1	0	0	0	0	0	112.1	E562 V563 A564	A560-E562 WeakPolarHBondContact CB-OE2 3.39Å; A560-E562 PolarHBondContact O-N 2.84Å; A560-E562 VanDerWaalsContact O-N 3.14Å; A560-V563 PolarHBondContact O-N 2.58Å; A560-A564 PolarHBondContact O-N 3.48Å
561	E	81	Confident	83.9	Confident	105 Å²	105	53.8 Å²	53.8	49%	0.491	26%	0.264	S	S	.	.	H	α-helix	trans	-58.2	-32.9	-171.5	-69	-168	177.5	0	0	113	R472 V563 H565	R472-E561 IonicContact CZ-OE1 2.69Å; R472-E561 IonicContact NE-OE1 2.74Å; R472-E561 PolarHBondContact NE-OE1 2.83Å; R472-E561 IonicContact NH2-OE1 2.67Å; R472-E561 PolarHBondContact NH2-OE1 2.97Å; R472-E561 IonicContact NH2-OE2 2.85Å; E561-V563 PolarHBondContact O-N 3Å; E561-H565 WeakPolarHBondContact O-CA 3.45Å; E561-H565 WeakPolarHBondContact O-CB 3.46Å; E561-H565 PolarHBondContact O-N 3.03Å
562	E	81.3	Confident	83.7	Confident	139 Å²	139	49.9 Å²	49.9	65%	0.65	25%	0.247	S	C	*	.	H	α-helix	trans	-62.2	-27.6	178.8	-55.3	85.5	170.4	0	0	112.4	A560 S566	A560-E562 WeakPolarHBondContact CB-OE2 3.39Å; A560-E562 PolarHBondContact O-N 2.84Å; A560-E562 VanDerWaalsContact O-N 3.14Å; E562-S566 WeakPolarHBondContact O-CB 3.47Å
563	V	83.4	Confident	83.4	Confident	13 Å²	13	49.9 Å²	49.9	8%	0.079	25%	0.247	C	C	.	.	H	α-helix	trans	-92.4	-53.7	177.3	-177.4	0	0	0	0	109.9	F520 V523 L556 H559 A560 E561 H565 S566	F520-V563 HydrophobicContact CD1-CG2 4.21Å; F520-V563 HydrophobicContact CD2-CG1 4.27Å; F520-V563 HydrophobicContact CE1-CG2 4.43Å; F520-V563 HydrophobicContact CG-CG2 4.25Å; V523-V563 HydrophobicContact CG1-CG1 4.25Å; V523-V563 HydrophobicContact CG2-CG1 4.14Å; V523-V563 HydrophobicContact CG2-CG2 3.77Å; L556-V563 HydrophobicContact CD1-CG1 4.3Å; H559-V563 HydrophobicContact CB-CB 4.17Å; H559-V563 HydrophobicContact CB-CG1 4.3Å; A560-V563 PolarHBondContact O-N 2.58Å; E561-V563 PolarHBondContact O-N 3Å; V563-H565 PolarHBondContact O-N 3.28Å; V563-S566 PolarHBondContact O-N 3.24Å; V563-S566 PolarHBondContact O-OG 3.31Å
564	A	84	Confident	82.8	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-63.5	-28.9	-174.6	0	0	0	0	0	113	F557 A560 V569	F557-A564 HydrophobicContact CD1-CB 4.45Å; A560-A564 PolarHBondContact O-N 3.48Å; A564-V569 WeakPolarHBondContact O-CG1 3.31Å
565	H	83.5	Confident	82.1	Confident	42 Å²	42	46.3 Å²	46.3	19%	0.194	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	29.6	-179.2	-60.6	101	0	0	0	112.1	R472 L473 E561 V563 Y570	R472-H565 WeakPolarHBondContact CA-NE2 3.25Å; R472-H565 WeakPolarHBondContact CB-NE2 3.43Å; L473-H565 PolarHBondContact N-CD2 2.93Å; L473-H565 PolarHBondContact N-NE2 3.12Å; L473-H565 VanDerWaalsContact N-NE2 3.1Å; E561-H565 WeakPolarHBondContact O-CA 3.45Å; E561-H565 WeakPolarHBondContact O-CB 3.46Å; E561-H565 PolarHBondContact O-N 3.03Å; V563-H565 PolarHBondContact O-N 3.28Å; H565-Y570 HydrophobicContact CB-CE2 3.85Å; H565-Y570 WeakPolarHBondContact O-CD2 3.45Å; H565-Y570 VanDerWaalsContact O-CE2 3.25Å; H565-Y570 WeakPolarHBondContact O-CE2 3.21Å
566	S	83.2	Confident	81.2	Confident	9 Å²	9	47.6 Å²	47.6	6%	0.063	25%	0.245	C	C	.	.			trans	-66.7	156	172.2	58.1	0	0	0	0	112.7	E562 V563 L568 V569 Y570	E562-S566 WeakPolarHBondContact O-CB 3.47Å; V563-S566 PolarHBondContact O-N 3.24Å; V563-S566 PolarHBondContact O-OG 3.31Å; S566-L568 PolarHBondContact O-N 3.29Å; S566-V569 PolarHBondContact O-N 3.29Å; S566-V569 WeakPolarHBondContact OG-CG2 3.45Å; S566-Y570 WeakPolarHBondContact O-CD2 3.29Å; S566-Y570 PolarHBondContact O-N 3.27Å
567	D	75.7	Confident	80	Confident	75 Å²	75	50.6 Å²	50.6	40%	0.401	26%	0.258	S	S	.	.	H	α-helix	trans	-49.1	-39.4	171.4	56.3	-12.7	0	0	0	113	R519 T571	R519-D567 IonicContact CZ-OD1 2.79Å; R519-D567 VanDerWaalsContact CZ-OD1 3.29Å; R519-D567 IonicContact CZ-OD2 3.84Å; R519-D567 IonicContact NE-OD1 3.09Å; R519-D567 IonicContact NH1-OD1 2.8Å; R519-D567 PolarHBondContact NH1-OD1 3.03Å; R519-D567 VanDerWaalsContact NH1-OD1 3.17Å; R519-D567 IonicContact NH1-OD2 2.74Å; R519-D567 PolarHBondContact NH1-OD2 3.17Å; R519-D567 IonicContact NH2-OD1 3.63Å; R519-D567 PolarHBondContact NH2-OD1 3.26Å; R519-D567 IonicContact NH2-OD2 2.59Å; R519-D567 PolarHBondContact NH2-OD2 2.95Å; R519-D567 VanDerWaalsContact NH2-OD2 3.16Å; D567-T571 WeakPolarHBondContact O-CB 3.4Å; D567-T571 PolarHBondContact O-N 3.43Å; D567-T571 PolarHBondContact O-OG1 3.22Å
568	L	81	Confident	79.2	Confident	31 Å²	31	51.7 Å²	51.7	16%	0.162	26%	0.261	C	S	.	.	H	α-helix	trans	-58.7	-48.7	174.2	-69.7	175	0	0	0	111.9	A515 R519 S566 T571 F572	A515-L568 HydrophobicContact CB-CD1 4.35Å; A515-L568 HydrophobicContact CB-CD2 4.37Å; R519-L568 HydrophobicContact CB-CD1 3.74Å; R519-L568 VanDerWaalsContact CD-CD1 3.45Å; R519-L568 HydrophobicContact CG-CD1 4.2Å; S566-L568 PolarHBondContact O-N 3.29Å; L568-T571 PolarHBondContact O-N 3.43Å; L568-F572 PolarHBondContact O-N 3.35Å; L568-F572 VanDerWaalsContact O-N 3.11Å
569	V	83.5	Confident	78.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-67.8	-45.6	-179.3	179	0	0	0	0	110.2	L556 F557 A564 S566 T571 F572 F573	L556-V569 HydrophobicContact CD1-CG2 4.33Å; L556-V569 HydrophobicContact CD2-CG1 4.4Å; L556-V569 HydrophobicContact CD2-CG2 4.08Å; L556-V569 HydrophobicContact CG-CG2 4.49Å; F557-V569 HydrophobicContact CE1-CG1 4.25Å; F557-V569 HydrophobicContact CZ-CG1 4.33Å; A564-V569 WeakPolarHBondContact O-CG1 3.31Å; S566-V569 PolarHBondContact O-N 3.29Å; S566-V569 WeakPolarHBondContact OG-CG2 3.45Å; V569-T571 VanDerWaalsContact C-N 3.27Å; V569-T571 PolarHBondContact O-N 3.01Å; V569-F572 PolarHBondContact O-N 3.34Å; V569-F573 HydrophobicContact CG1-CD2 3.61Å; V569-F573 HydrophobicContact CG1-CE2 3.8Å; V569-F573 VanDerWaalsContact O-CD2 3.26Å; V569-F573 WeakPolarHBondContact O-CD2 3.48Å; V569-F573 PolarHBondContact O-N 2.73Å
570	Y	78.4	Confident	77.6	Confident	33 Å²	33	48 Å²	48	13%	0.129	24%	0.242	C	C	.	.	H	α-helix	trans	-56.9	-41.4	175.7	-88.7	-84	0	0	0	112.6	L469 G471 L473 H565 S566 F573 H574	L469-Y570 HydrophobicContact CB-CD1 3.93Å; L469-Y570 HydrophobicContact CB-CE1 4.2Å; G471-Y570 PolarHBondContact O-OH 3.09Å; L473-Y570 HydrophobicContact CD1-CD1 3.36Å; L473-Y570 HydrophobicContact CD1-CD2 4.06Å; L473-Y570 HydrophobicContact CD1-CE1 3.48Å; L473-Y570 VanDerWaalsContact CD1-CE1 3.48Å; L473-Y570 HydrophobicContact CD1-CE2 4.19Å; L473-Y570 HydrophobicContact CD1-CG 3.66Å; L473-Y570 HydrophobicContact CD2-CE1 4.48Å; L473-Y570 HydrophobicContact CG-CD1 4.08Å; L473-Y570 HydrophobicContact CG-CE1 3.75Å; H565-Y570 HydrophobicContact CB-CE2 3.85Å; H565-Y570 WeakPolarHBondContact O-CD2 3.45Å; H565-Y570 VanDerWaalsContact O-CE2 3.25Å; H565-Y570 WeakPolarHBondContact O-CE2 3.21Å; S566-Y570 WeakPolarHBondContact O-CD2 3.29Å; S566-Y570 PolarHBondContact O-N 3.27Å; Y570-F573 CarbonylContact O-C 3.6Å; Y570-F573 PolarHBondContact O-N 3.43Å; Y570-H574 PolarHBondContact O-N 3.35Å
571	T	77.4	Confident	76.6	Confident	51 Å²	51	49.4 Å²	49.4	31%	0.313	24%	0.235	S	C	.	.	H	α-helix	trans	-66.8	-43.4	-179.4	-53.2	0	0	0	0	111.2	F464 D567 L568 V569 F573 H574	F464-T571 HydrophobicContact CD1-CG2 3.54Å; F464-T571 HydrophobicContact CE1-CG2 3.87Å; D567-T571 WeakPolarHBondContact O-CB 3.4Å; D567-T571 PolarHBondContact O-N 3.43Å; D567-T571 PolarHBondContact O-OG1 3.22Å; L568-T571 PolarHBondContact O-N 3.43Å; V569-T571 VanDerWaalsContact C-N 3.27Å; V569-T571 PolarHBondContact O-N 3.01Å; T571-F573 VanDerWaalsContact C-N 3.28Å; T571-F573 PolarHBondContact O-N 2.94Å; T571-H574 WeakPolarHBondContact O-CB 3.45Å; T571-H574 PolarHBondContact O-N 3.13Å
572	F	84	Confident	75.4	Confident	26 Å²	26	44.9 Å²	44.9	11%	0.114	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-40.3	176.5	-175	-91.6	0	0	0	112.3	L489 R504 E508 F509 L512 L568 V569 H574	L489-F572 HydrophobicContact CD1-CE1 4.26Å; R504-F572 HydrophobicContact CB-CZ 4.01Å; R504-F572 HydrophobicContact CG-CE1 3.95Å; R504-F572 HydrophobicContact CG-CE2 4.36Å; R504-F572 HydrophobicContact CG-CZ 3.71Å; R504-F572 PolarHBondContact NE-O 3.17Å; R504-F572 PolarHBondContact NH2-O 3.35Å; E508-F572 HydrophobicContact CB-CE2 4.01Å; E508-F572 WeakPolarHBondContact O-CE2 3.44Å; F509-F572 HydrophobicContact CD1-CE1 4.03Å; F509-F572 AromaticContact CD1-CZ 3.66Å; F509-F572 HydrophobicContact CD1-CZ 3.66Å; F509-F572 AromaticContact CE1-CE1 3.68Å; F509-F572 HydrophobicContact CE1-CE1 3.68Å; F509-F572 AromaticContact CE1-CZ 3.66Å; F509-F572 HydrophobicContact CE1-CZ 3.66Å; F509-F572 HydrophobicContact CG-CZ 4.15Å; F509-F572 HydrophobicContact CZ-CE1 4.29Å; F509-F572 HydrophobicContact CZ-CZ 4.14Å; L512-F572 HydrophobicContact CB-CD2 3.87Å; L512-F572 HydrophobicContact CB-CE2 3.97Å; L512-F572 HydrophobicContact CB-CG 4.44Å; L512-F572 HydrophobicContact CD1-CB 4.03Å; L512-F572 HydrophobicContact CD1-CD2 4.34Å; L512-F572 HydrophobicContact CD1-CG 4.25Å; L512-F572 HydrophobicContact CD2-CB 4.19Å; L512-F572 HydrophobicContact CD2-CD1 3.71Å; L512-F572 HydrophobicContact CD2-CD2 3.93Å; L512-F572 HydrophobicContact CD2-CE1 4Å; L512-F572 HydrophobicContact CD2-CE2 4.19Å; L512-F572 HydrophobicContact CD2-CG 3.67Å; L512-F572 HydrophobicContact CD2-CZ 4.22Å; L512-F572 HydrophobicContact CG-CD2 4.26Å; L512-F572 HydrophobicContact CG-CG 4.34Å; L568-F572 PolarHBondContact O-N 3.35Å; L568-F572 VanDerWaalsContact O-N 3.11Å; V569-F572 PolarHBondContact O-N 3.34Å; F572-H574 VanDerWaalsContact C-N 3.32Å; F572-H574 PolarHBondContact O-N 3.03Å
573	F	83.1	Confident	73.9	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	15.3	179.8	-71.3	-76	0	0	0	114.3	L473 C475 L489 V491 R493 L502 L553 F557 V569 Y570 T571	L473-F573 HydrophobicContact CD1-CB 4.34Å; L473-F573 HydrophobicContact CD2-CB 4.34Å; C475-F573 HydrophobicContact CB-CE1 4.14Å; L489-F573 HydrophobicContact CD1-CE1 4.02Å; V491-F573 HydrophobicContact CG1-CB 4.47Å; V491-F573 HydrophobicContact CG1-CD1 4.41Å; V491-F573 HydrophobicContact CG2-CD1 3.61Å; V491-F573 HydrophobicContact CG2-CE1 4.19Å; R493-F573 PolarHBondContact NH2-O 3.45Å; L502-F573 VanDerWaalsContact CD1-C 3.44Å; L502-F573 VanDerWaalsContact CD1-CA 3.42Å; L502-F573 HydrophobicContact CD1-CB 4.12Å; L502-F573 HydrophobicContact CD1-CD1 3.95Å; L502-F573 HydrophobicContact CD1-CG 4.49Å; L502-F573 WeakPolarHBondContact CD1-O 3.25Å; L553-F573 HydrophobicContact CD1-CZ 4.45Å; L553-F573 HydrophobicContact CD2-CE2 4.41Å; L553-F573 HydrophobicContact CD2-CZ 3.66Å; F557-F573 HydrophobicContact CE2-CE2 4.03Å; F557-F573 AromaticContact CE2-CZ 3.88Å; F557-F573 HydrophobicContact CE2-CZ 3.88Å; F557-F573 HydrophobicContact CZ-CD2 4.14Å; F557-F573 AromaticContact CZ-CE2 3.65Å; F557-F573 HydrophobicContact CZ-CE2 3.65Å; F557-F573 AromaticContact CZ-CZ 3.9Å; F557-F573 HydrophobicContact CZ-CZ 3.9Å; V569-F573 HydrophobicContact CG1-CD2 3.61Å; V569-F573 HydrophobicContact CG1-CE2 3.8Å; V569-F573 VanDerWaalsContact O-CD2 3.26Å; V569-F573 WeakPolarHBondContact O-CD2 3.48Å; V569-F573 PolarHBondContact O-N 2.73Å; Y570-F573 CarbonylContact O-C 3.6Å; Y570-F573 PolarHBondContact O-N 3.43Å; T571-F573 VanDerWaalsContact C-N 3.28Å; T571-F573 PolarHBondContact O-N 2.94Å
574	H	74.9	Confident	72.3	Confident	73 Å²	73	46.9 Å²	46.9	34%	0.338	23%	0.229	S	C	.	.	S	Bend	trans	-85.1	134.4	171.9	-163.2	-84.9	0	0	0	110.8	L469 R504 Y570 T571 F572 I576	L469-H574 VanDerWaalsContact CD1-CD2 3.41Å; L469-H574 WeakPolarHBondContact CD1-CD2 3.43Å; R504-H574 PolarHBondContact NH2-O 3.09Å; Y570-H574 PolarHBondContact O-N 3.35Å; T571-H574 WeakPolarHBondContact O-CB 3.45Å; T571-H574 PolarHBondContact O-N 3.13Å; F572-H574 VanDerWaalsContact C-N 3.32Å; F572-H574 PolarHBondContact O-N 3.03Å; H574-I576 PolarHBondContact O-N 3Å
575	P	73.4	Confident	70.6	Confident	35 Å²	35	51.2 Å²	51.2	23%	0.227	25%	0.25	C	S	.	.			trans	-54.4	128.6	168.6	-25.1	32.6	0	0	0	111.4	R493 L502	R493-P575 VanDerWaalsContact NH2-CD 3.28Å; L502-P575 HydrophobicContact CD2-CB 4.07Å; L502-P575 HydrophobicContact CD2-CG 3.87Å
576	I	68.8	Low	68.7	Low	56 Å²	56	51.8 Å²	51.8	29%	0.287	26%	0.259	S	S	.	.			trans	-110.3	167.7	170	62.1	167.4	0	0	0	109.2	E275 H574 R578 D579	E275-I576 WeakPolarHBondContact OE2-CB 3.33Å; H574-I576 PolarHBondContact O-N 3Å; I576-R578 HydrophobicContact CD1-CB 4.13Å; I576-R578 HydrophobicContact CG1-CB 4.19Å; I576-R578 PolarHBondContact O-N 3Å; I576-D579 VanDerWaalsContact CG1-OD2 3.31Å; I576-D579 WeakPolarHBondContact CG1-OD2 3.48Å; I576-D579 PolarHBondContact N-OD2 3.35Å; I576-D579 WeakPolarHBondContact O-CA 3.26Å; I576-D579 VanDerWaalsContact O-CB 3.28Å; I576-D579 WeakPolarHBondContact O-CB 3.34Å; I576-D579 PolarHBondContact O-N 3.02Å
577	F	61.3	Low	67	Low	64 Å²	64	59.4 Å²	59.4	28%	0.281	29%	0.291	S	S	.	.	H	α-helix	trans	-60.7	-33.4	-173.5	179.9	-101.2	0	0	0	112.4	E275 H279 D579 E580 R581	E275-F577 HydrophobicContact CG-CB 4.06Å; E275-F577 WeakPolarHBondContact OE2-CB 3.4Å; E275-F577 PolarHBondContact OE2-N 3.44Å; H279-F577 AromaticContact CE1-CD1 3.78Å; H279-F577 AromaticContact ND1-CD1 3.91Å; F577-D579 PolarHBondContact O-N 2.89Å; F577-E580 PolarHBondContact O-N 2.77Å; F577-R581 HydrophobicContact CE1-CG 4.22Å; F577-R581 HydrophobicContact CZ-CG 4.42Å; F577-R581 PolarHBondContact O-N 3.41Å; F577-R581 VanDerWaalsContact O-N 3.1Å
578	R	69.5	Low	66	Low	66 Å²	66	60.1 Å²	60.1	25%	0.249	30%	0.298	C	S	.	.	H	α-helix	trans	-53	-37.8	168.5	-178.1	177.7	71.4	-168.5	-2.3	113.1	E275 Y503 E508 I576 R581 A582	E275-R578 WeakPolarHBondContact OE1-CB 3.16Å; E275-R578 PolarHBondContact OE1-N 2.88Å; Y503-R578 PolarHBondContact O-NH2 3.39Å; E508-R578 IonicContact OE1-CZ 3.56Å; E508-R578 IonicContact OE1-NH1 2.58Å; E508-R578 IonicContact OE1-NH2 3.48Å; E508-R578 PolarHBondContact OE1-NH2 2.8Å; E508-R578 IonicContact OE2-NH1 3.92Å; E508-R578 IonicContact OE2-NH2 3.58Å; E508-R578 PolarHBondContact OE2-NH2 3.36Å; I576-R578 HydrophobicContact CD1-CB 4.13Å; I576-R578 HydrophobicContact CG1-CB 4.19Å; I576-R578 PolarHBondContact O-N 3Å; R578-R581 PolarHBondContact O-N 3.39Å; R578-A582 VanDerWaalsContact O-CB 3.27Å; R578-A582 WeakPolarHBondContact O-CB 3.39Å; R578-A582 PolarHBondContact O-N 3.05Å
579	D	71.8	Confident	65.4	Low	5 Å²	5	60 Å²	60	3%	0.027	30%	0.298	C	S	.	.	H	α-helix	trans	-71.6	-37.3	-175.8	-60.7	-35.5	0	0	0	112	L502 Y503 R504 I576 F577 D583	L502-D579 HydrophobicContact CD2-CB 4.4Å; L502-D579 WeakPolarHBondContact CD2-OD2 3.35Å; Y503-D579 HydrophobicContact CD2-CB 4.19Å; Y503-D579 WeakPolarHBondContact CD2-OD1 3.2Å; Y503-D579 PolarHBondContact N-OD1 3.09Å; R504-D579 IonicContact CZ-OD2 3.2Å; R504-D579 VanDerWaalsContact NH1-CG 3.32Å; R504-D579 IonicContact NH1-OD1 3.11Å; R504-D579 PolarHBondContact NH1-OD1 3.32Å; R504-D579 IonicContact NH1-OD2 3.35Å; R504-D579 PolarHBondContact NH1-OD2 2.93Å; R504-D579 IonicContact NH2-OD2 3.78Å; R504-D579 PolarHBondContact NH2-OD2 2.97Å; I576-D579 VanDerWaalsContact CG1-OD2 3.31Å; I576-D579 WeakPolarHBondContact CG1-OD2 3.48Å; I576-D579 PolarHBondContact N-OD2 3.35Å; I576-D579 WeakPolarHBondContact O-CA 3.26Å; I576-D579 VanDerWaalsContact O-CB 3.28Å; I576-D579 WeakPolarHBondContact O-CB 3.34Å; I576-D579 PolarHBondContact O-N 3.02Å; F577-D579 PolarHBondContact O-N 2.89Å; D579-D583 PolarHBondContact O-N 3.33Å
580	E	67.1	Low	65.1	Low	125 Å²	125	61 Å²	61	58%	0.584	30%	0.303	S	S	*	.	H	α-helix	trans	-67.5	-42.8	173.5	-62.1	-177.6	167.4	0	0	111.4	F577 D583 I584	F577-E580 PolarHBondContact O-N 2.77Å; E580-D583 PolarHBondContact O-N 3.28Å; E580-I584 PolarHBondContact O-N 2.96Å
581	R	61.8	Low	65.5	Low	88 Å²	88	61 Å²	61	33%	0.332	30%	0.304	S	S	.	.	H	α-helix	trans	-66.4	-40.3	176.7	-95.8	-173.4	153.8	-177.5	-8.5	113.2	H279 Y362 F577 R578 D583 I584 M585	H279-R581 PolarHBondContact CD2-NH1 3.44Å; Y362-R581 PolarHBondContact OH-NH1 2.96Å; Y362-R581 PolarHBondContact OH-NH2 3.07Å; F577-R581 HydrophobicContact CE1-CG 4.22Å; F577-R581 HydrophobicContact CZ-CG 4.42Å; F577-R581 PolarHBondContact O-N 3.41Å; F577-R581 VanDerWaalsContact O-N 3.1Å; R578-R581 PolarHBondContact O-N 3.39Å; R581-D583 PolarHBondContact O-N 2.98Å; R581-I584 CarbonylContact O-C 3.13Å; R581-I584 WeakPolarHBondContact O-CA 3.39Å; R581-I584 WeakPolarHBondContact O-CB 3.46Å; R581-I584 PolarHBondContact O-N 3.3Å; R581-M585 WeakPolarHBondContact O-CG 3.47Å; R581-M585 PolarHBondContact O-N 2.83Å
582	A	56.3	Low	65.9	Low	10 Å²	10	58.5 Å²	58.5	8%	0.083	29%	0.289	C	S	.	.	H	α-helix	trans	-65.8	-29.3	-178.7	0	0	0	0	0	112.1	F481 Y503 R578 M585 S586	F481-A582 HydrophobicContact CE1-CB 4.12Å; F481-A582 HydrophobicContact CZ-CB 4.41Å; Y503-A582 HydrophobicContact CD1-CB 4.12Å; Y503-A582 HydrophobicContact CD2-CB 3.47Å; Y503-A582 VanDerWaalsContact CD2-CB 3.47Å; Y503-A582 HydrophobicContact CE1-CB 3.93Å; Y503-A582 HydrophobicContact CE2-CB 3.28Å; Y503-A582 HydrophobicContact CG-CB 3.88Å; R578-A582 VanDerWaalsContact O-CB 3.27Å; R578-A582 WeakPolarHBondContact O-CB 3.39Å; R578-A582 PolarHBondContact O-N 3.05Å; A582-M585 PolarHBondContact O-N 2.59Å; A582-S586 WeakPolarHBondContact O-CB 3.37Å; A582-S586 PolarHBondContact O-N 3.09Å
583	D	49.9	Very low	66.1	Low	69 Å²	69	58.3 Å²	58.3	37%	0.369	29%	0.288	S	S	.	.	H	α-helix	trans	-69.9	-33.9	170.9	-120.8	23.7	0	0	0	112.1	K488 Y503 D579 E580 R581 S586	K488-D583 IonicContact NZ-OD1 3.64Å; K488-D583 PolarHBondContact NZ-OD1 2.9Å; K488-D583 VanDerWaalsContact NZ-OD1 3.11Å; Y503-D583 PolarHBondContact OH-OD1 3.46Å; D579-D583 PolarHBondContact O-N 3.33Å; E580-D583 PolarHBondContact O-N 3.28Å; R581-D583 PolarHBondContact O-N 2.98Å; D583-S586 PolarHBondContact O-OG 2.92Å
584	I	50.4	Low	66.1	Low	126 Å²	126	58.3 Å²	58.3	65%	0.646	29%	0.288	S	S	*	.	H	α-helix	trans	-68.6	-45.1	171	-60	168.9	0	0	0	111.1	E580 R581 S586 K587	E580-I584 PolarHBondContact O-N 2.96Å; R581-I584 CarbonylContact O-C 3.13Å; R581-I584 WeakPolarHBondContact O-CA 3.39Å; R581-I584 WeakPolarHBondContact O-CB 3.46Å; R581-I584 PolarHBondContact O-N 3.3Å; I584-S586 VanDerWaalsContact C-N 3.29Å; I584-S586 PolarHBondContact O-N 3.06Å; I584-K587 PolarHBondContact O-N 3.32Å
585	M	46.7	Very low	66.6	Low	92 Å²	92	55.9 Å²	55.9	45%	0.453	28%	0.277	S	S	.	.	H	α-helix	trans	-72.4	-19.6	179.3	-66.9	-171	81.2	0	0	112.9	R581 A582 K587 T588	R581-M585 WeakPolarHBondContact O-CG 3.47Å; R581-M585 PolarHBondContact O-N 2.83Å; A582-M585 PolarHBondContact O-N 2.59Å; M585-K587 CarbonylContact O-C 3.39Å; M585-K587 PolarHBondContact O-N 2.95Å; M585-K587 VanDerWaalsContact O-N 3.13Å; M585-T588 WeakPolarHBondContact O-CG2 3.43Å; M585-T588 PolarHBondContact O-N 3.4Å
586	S	44.5	Very low	66.9	Low	53 Å²	53	54.3 Å²	54.3	37%	0.371	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-19.2	176.2	81.7	0	0	0	0	113	A582 D583 I584 T588	A582-S586 WeakPolarHBondContact O-CB 3.37Å; A582-S586 PolarHBondContact O-N 3.09Å; D583-S586 PolarHBondContact O-OG 2.92Å; I584-S586 VanDerWaalsContact C-N 3.29Å; I584-S586 PolarHBondContact O-N 3.06Å; S586-T588 PolarHBondContact O-N 3.09Å
587	K	47.5	Very low	67.2	Low	169 Å²	169	52 Å²	52	74%	0.735	26%	0.256	S	S	*	.	S	Bend	trans	-78.9	63.5	164.7	-63.2	-179.7	-178	176	0	109.6	I584 M585 T589	I584-K587 PolarHBondContact O-N 3.32Å; M585-K587 CarbonylContact O-C 3.39Å; M585-K587 PolarHBondContact O-N 2.95Å; M585-K587 VanDerWaalsContact O-N 3.13Å; K587-T589 VanDerWaalsContact C-N 3.26Å; K587-T589 PolarHBondContact O-N 3.23Å
588	T	55	Low	67.7	Low	91 Å²	91	50.5 Å²	50.5	56%	0.558	25%	0.249	S	C	*	.			trans	-71.7	77.2	179.5	39.8	0	0	0	0	111.1	M585 S586	M585-T588 WeakPolarHBondContact O-CG2 3.43Å; M585-T588 PolarHBondContact O-N 3.4Å; S586-T588 PolarHBondContact O-N 3.09Å
589	T	68.2	Low	67.5	Low	28 Å²	28	50 Å²	50	17%	0.172	26%	0.256	C	S	.	.			trans	-79.1	128	169.2	41.3	0	0	0	0	109.4	K587 E591 R702	K587-T589 VanDerWaalsContact C-N 3.26Å; K587-T589 PolarHBondContact O-N 3.23Å; T589-E591 PolarHBondContact O-N 3.19Å; T589-E591 PolarHBondContact OG1-OE1 3.48Å; T589-R702 HydrophobicContact CG2-CG 4.38Å; T589-R702 VanDerWaalsContact CG2-NE 3.33Å
590	Q	77.7	Confident	67.2	Low	20 Å²	20	59.4 Å²	59.4	9%	0.093	30%	0.299	C	S	.	.			trans	-65.6	128.3	168.3	-61.4	-171.3	79.3	0	0	107.6	S614 L679 L703	Q590-S614 PolarHBondContact NE2-OG 3.29Å; Q590-S614 PolarHBondContact OE1-OG 3.12Å; Q590-L679 PolarHBondContact NE2-O 2.61Å; Q590-L679 PolarHBondContact OE1-O 2.67Å; Q590-L703 HydrophobicContact CB-CB 3.95Å; Q590-L703 HydrophobicContact CB-CD1 3.87Å; Q590-L703 HydrophobicContact CB-CG 4.41Å; Q590-L703 WeakPolarHBondContact O-CB 3Å; Q590-L703 PolarHBondContact O-N 3.06Å
591	E	85.4	Confident	67.1	Low	33 Å²	33	55.1 Å²	55.1	15%	0.154	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	152.3	-174.5	-71.8	169.1	175.6	0	0	111.1	T589 A610 R611 W700 F701	T589-E591 PolarHBondContact O-N 3.19Å; T589-E591 PolarHBondContact OG1-OE1 3.48Å; E591-A610 CarbonylContact O-C 3.52Å; E591-A610 VanDerWaalsContact O-CA 3.3Å; E591-A610 WeakPolarHBondContact O-CA 3.3Å; E591-R611 HydrophobicContact CB-CG 4.11Å; E591-R611 PolarHBondContact N-O 3.43Å; E591-R611 VanDerWaalsContact N-O 3.08Å; E591-R611 PolarHBondContact O-N 3.35Å; E591-R611 IonicContact OE2-CZ 3.77Å; E591-R611 IonicContact OE2-NE 3.91Å; E591-R611 PolarHBondContact OE2-NE 3.5Å; E591-R611 IonicContact OE2-NH2 3.14Å; E591-R611 PolarHBondContact OE2-NH2 3.06Å; E591-W700 HydrophobicContact CB-CE3 3.87Å; E591-W700 HydrophobicContact CB-CZ3 4.47Å; E591-F701 CarbonylContact C-O 3.01Å; E591-F701 VanDerWaalsContact CA-O 3.24Å; E591-F701 WeakPolarHBondContact CA-O 3.48Å
592	I	86.3	Confident	67.5	Low	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.9	173.6	-167	170.3	0	0	0	110.3	V594 I607 H609 A610 V626 V670 I682 F701 L703	I592-V594 HydrophobicContact CD1-CG2 4.43Å; I592-V594 HydrophobicContact CG1-CG2 4.17Å; I592-V594 HydrophobicContact CG2-CG2 4.14Å; I592-I607 HydrophobicContact CD1-CG2 3.95Å; I592-H609 CarbonylContact C-O 3.54Å; I592-H609 WeakPolarHBondContact CA-O 3.18Å; I592-H609 WeakPolarHBondContact CG1-O 3.32Å; I592-A610 HydrophobicContact CB-CB 4.33Å; I592-A610 HydrophobicContact CG1-CB 4.12Å; I592-V626 HydrophobicContact CD1-CG1 4.36Å; I592-V626 HydrophobicContact CD1-CG2 3.63Å; I592-V670 HydrophobicContact CD1-CG1 3.62Å; I592-V670 HydrophobicContact CG2-CG1 4.34Å; I592-I682 HydrophobicContact CG2-CD1 3.98Å; I592-I682 HydrophobicContact CG2-CG1 4.28Å; I592-I682 HydrophobicContact CG2-CG2 4.29Å; I592-F701 HydrophobicContact CG2-CB 4.37Å; I592-F701 PolarHBondContact N-O 3.31Å; I592-F701 PolarHBondContact O-N 3.01Å; I592-L703 HydrophobicContact CB-CD2 4.12Å; I592-L703 HydrophobicContact CB-CG 4.39Å; I592-L703 HydrophobicContact CG2-CD2 3.64Å; I592-L703 HydrophobicContact CG2-CG 4.23Å
593	K	87.9	Confident	68.3	Low	22 Å²	22	53.2 Å²	53.2	10%	0.096	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	122.8	174.3	-170.4	-178.1	-175	-169.7	0	109.4	D368 N608 H609 N698 E699 W700	D368-K593 IonicContact OD1-NZ 3.72Å; D368-K593 PolarHBondContact OD1-NZ 2.84Å; D368-K593 IonicContact OD2-NZ 3.18Å; D368-K593 PolarHBondContact OD2-NZ 2.82Å; K593-N608 HydrophobicContact CB-CB 3.99Å; K593-N608 HydrophobicContact CD-CB 3.94Å; K593-N608 HydrophobicContact CG-CB 3.97Å; K593-N608 PolarHBondContact O-N 2.95Å; K593-H609 PolarHBondContact N-O 3.48Å; K593-N698 WeakPolarHBondContact CE-OD1 3.45Å; K593-E699 VanDerWaalsContact CA-O 3.32Å; K593-E699 WeakPolarHBondContact CA-O 3.46Å; K593-W700 HydrophobicContact CB-CD2 3.72Å; K593-W700 HydrophobicContact CB-CE3 3.76Å; K593-W700 HydrophobicContact CB-CG 4.29Å; K593-W700 HydrophobicContact CB-CH2 4.07Å; K593-W700 HydrophobicContact CB-CZ2 4.02Å; K593-W700 HydrophobicContact CB-CZ3 3.93Å; K593-W700 HydrophobicContact CD-CZ2 4.12Å; K593-W700 HydrophobicContact CG-CD2 4.3Å; K593-W700 HydrophobicContact CG-CG 4.49Å
594	V	84.4	Confident	69.6	Low	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	130.1	-178.6	179.9	0	0	0	0	108.7	I592 V596 V605 I607 V670 I682 I684 E699 F701	I592-V594 HydrophobicContact CD1-CG2 4.43Å; I592-V594 HydrophobicContact CG1-CG2 4.17Å; I592-V594 HydrophobicContact CG2-CG2 4.14Å; V594-V596 HydrophobicContact CG1-CG2 3.92Å; V594-V605 HydrophobicContact CG1-CG1 3.75Å; V594-I607 HydrophobicContact CG1-CD1 3.98Å; V594-I607 HydrophobicContact CG2-CD1 3.9Å; V594-V670 HydrophobicContact CG2-CG2 4.47Å; V594-I682 HydrophobicContact CG2-CD1 3.97Å; V594-I684 HydrophobicContact CB-CD1 4.45Å; V594-I684 HydrophobicContact CG1-CD1 4.05Å; V594-E699 PolarHBondContact N-O 3.33Å; V594-E699 PolarHBondContact O-N 3.27Å; V594-F701 HydrophobicContact CB-CD2 4.01Å; V594-F701 HydrophobicContact CB-CE2 3.9Å; V594-F701 HydrophobicContact CG2-CD2 4.35Å
595	Q	84.8	Confident	71	Confident	21 Å²	21	45.5 Å²	45.5	10%	0.098	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.5	169.7	166.7	-175.1	-38.8	0	0	109.8	V605 F606 K696 I697 N698	Q595-V605 CarbonylContact O-C 3.6Å; Q595-V605 WeakPolarHBondContact O-CA 3.23Å; Q595-F606 HydrophobicContact CB-CB 4.09Å; Q595-F606 HydrophobicContact CG-CB 4.42Å; Q595-F606 PolarHBondContact N-O 3.14Å; Q595-F606 PolarHBondContact O-N 3.23Å; Q595-K696 HydrophobicContact CG-CG 4.43Å; Q595-I697 CarbonylContact C-O 3.46Å; Q595-I697 WeakPolarHBondContact CA-O 3.43Å; Q595-I697 WeakPolarHBondContact CG-O 3.46Å; Q595-N698 HydrophobicContact CB-CB 4.09Å; Q595-N698 HydrophobicContact CG-CB 4.27Å
596	V	79.6	Confident	72.8	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.7	177.5	-177.8	0	0	0	0	107.5	V594 L603 E604 V605 I684 M686 K696 I697	V594-V596 HydrophobicContact CG1-CG2 3.92Å; V596-L603 HydrophobicContact CG1-CD1 3.6Å; V596-E604 WeakPolarHBondContact CA-O 3.3Å; V596-V605 HydrophobicContact CG1-CG2 4.32Å; V596-V605 HydrophobicContact CG2-CG1 4.04Å; V596-V605 HydrophobicContact CG2-CG2 4.37Å; V596-I684 HydrophobicContact CG2-CD1 3.81Å; V596-M686 HydrophobicContact CG1-CE 3.83Å; V596-M686 HydrophobicContact CG1-SD 4.26Å; V596-K696 CarbonylContact O-C 3.34Å; V596-K696 WeakPolarHBondContact O-CA 3.38Å; V596-I697 HydrophobicContact CB-CB 4.47Å; V596-I697 PolarHBondContact N-O 3.38Å; V596-I697 PolarHBondContact O-N 3.14Å
597	A	75.9	Confident	74.9	Confident	7 Å²	7	38.9 Å²	38.9	6%	0.058	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	145.7	177.9	0	0	0	0	0	110.8	E604 F695 K696	A597-E604 HydrophobicContact CB-CB 4.46Å; A597-E604 PolarHBondContact N-O 2.98Å; A597-E604 PolarHBondContact O-N 2.98Å; A597-F695 WeakPolarHBondContact CA-O 3.27Å; A597-K696 HydrophobicContact CB-CB 4.41Å; A597-K696 HydrophobicContact CB-CG 4.26Å
598	F	72.1	Confident	76.7	Confident	34 Å²	34	31.1 Å²	31.1	15%	0.149	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	106.3	171	-169.3	-109.1	0	0	0	109.5	M602 F662 F695	F598-M602 WeakPolarHBondContact CA-O 3.47Å; F598-M602 WeakPolarHBondContact CD2-O 3.39Å; F598-F662 HydrophobicContact CD2-CD2 4.01Å; F598-F662 HydrophobicContact CD2-CE2 4.37Å; F598-F662 HydrophobicContact CE2-CB 3.91Å; F598-F662 AromaticContact CE2-CD2 3.53Å; F598-F662 HydrophobicContact CE2-CD2 3.53Å; F598-F662 HydrophobicContact CE2-CE2 4.29Å; F598-F662 AromaticContact CE2-CG 3.87Å; F598-F662 HydrophobicContact CE2-CG 3.87Å; F598-F662 HydrophobicContact CZ-CB 4.25Å; F598-F662 HydrophobicContact CZ-CD2 4.5Å; F598-F662 HydrophobicContact CZ-CG 4.44Å; F598-F695 PolarHBondContact N-O 2.82Å; F598-F695 VanDerWaalsContact N-O 3.08Å
599	C	65	Low	78.3	Confident	56 Å²	56	26.8 Å²	26.8	38%	0.378	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	128.5	-174.7	-68.1	0	0	0	0	109.1	G601 M602	C599-G601 VanDerWaalsContact C-N 3.27Å; C599-G601 PolarHBondContact O-N 3.48Å; C599-G601 VanDerWaalsContact O-N 3.14Å; C599-M602 PolarHBondContact N-O 3.32Å; C599-M602 WeakPolarHBondContact O-CA 2.94Å; C599-M602 WeakPolarHBondContact O-CB 3.32Å; C599-M602 PolarHBondContact O-N 3.25Å
600	Q	65.9	Low	79.1	Confident	201 Å²	201	25.5 Å²	25.5	94%	0.939	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	40.3	176.2	-61.8	178.1	-18.3	0	0	114.6	M602	Q600-M602 PolarHBondContact O-N 3.12Å
601	G	64	Low	79.4	Confident	35 Å²	35	27.7 Å²	27.7	36%	0.361	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	1.6	-179.7	0	0	0	0	0	115	C599	C599-G601 VanDerWaalsContact C-N 3.27Å; C599-G601 PolarHBondContact O-N 3.48Å; C599-G601 VanDerWaalsContact O-N 3.14Å
602	M	69.4	Low	79	Confident	53 Å²	53	28.3 Å²	28.3	26%	0.261	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.9	-179	-62.6	-64.1	-77.8	0	0	110.6	F598 C599 Q600 H659 R661	F598-M602 WeakPolarHBondContact CA-O 3.47Å; F598-M602 WeakPolarHBondContact CD2-O 3.39Å; C599-M602 PolarHBondContact N-O 3.32Å; C599-M602 WeakPolarHBondContact O-CA 2.94Å; C599-M602 WeakPolarHBondContact O-CB 3.32Å; C599-M602 PolarHBondContact O-N 3.25Å; Q600-M602 PolarHBondContact O-N 3.12Å; M602-H659 HydrophobicContact CE-CB 3.58Å; M602-R661 HydrophobicContact SD-CG 4.23Å
603	L	74.5	Confident	78.7	Confident	6 Å²	6	28.3 Å²	28.3	3%	0.031	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	117.3	168.7	-179.8	66.4	0	0	0	109.3	V596 V605 L630 F662 M686	V596-L603 HydrophobicContact CG1-CD1 3.6Å; L603-V605 HydrophobicContact CD1-CG2 4.37Å; L603-V605 HydrophobicContact CD2-CG2 4.14Å; L603-V605 HydrophobicContact CG-CG2 3.99Å; L603-L630 HydrophobicContact CD2-CD2 3.5Å; L603-L630 VanDerWaalsContact CD2-CD2 3.5Å; L603-F662 HydrophobicContact CB-CD2 3.93Å; L603-F662 HydrophobicContact CB-CE2 3.86Å; L603-F662 HydrophobicContact CD1-CE2 4.24Å; L603-F662 HydrophobicContact CD2-CE2 3.98Å; L603-F662 HydrophobicContact CG-CE2 4.24Å; L603-M686 HydrophobicContact CD1-CE 3.32Å; L603-M686 HydrophobicContact CD2-CE 4.01Å; L603-M686 HydrophobicContact CG-CE 4.31Å
604	E	76.3	Confident	78.1	Confident	31 Å²	31	29.6 Å²	29.6	15%	0.145	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.8	172.6	-61.1	-169.5	164	0	0	109.1	V596 A597 M656	V596-E604 WeakPolarHBondContact CA-O 3.3Å; A597-E604 HydrophobicContact CB-CB 4.46Å; A597-E604 PolarHBondContact N-O 2.98Å; A597-E604 PolarHBondContact O-N 2.98Å; E604-M656 HydrophobicContact CB-CE 3.58Å; E604-M656 HydrophobicContact CG-CE 3.43Å; E604-M656 VanDerWaalsContact CG-CE 3.43Å; E604-M656 WeakPolarHBondContact OE1-CE 3.07Å; E604-M656 WeakPolarHBondContact OE2-CE 3.32Å
605	V	80.3	Confident	77.5	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	116	173.2	-170.6	0	0	0	0	110.4	V594 Q595 V596 L603 I607 V657 Y668	V594-V605 HydrophobicContact CG1-CG1 3.75Å; Q595-V605 CarbonylContact O-C 3.6Å; Q595-V605 WeakPolarHBondContact O-CA 3.23Å; V596-V605 HydrophobicContact CG1-CG2 4.32Å; V596-V605 HydrophobicContact CG2-CG1 4.04Å; V596-V605 HydrophobicContact CG2-CG2 4.37Å; L603-V605 HydrophobicContact CD1-CG2 4.37Å; L603-V605 HydrophobicContact CD2-CG2 4.14Å; L603-V605 HydrophobicContact CG-CG2 3.99Å; V605-I607 HydrophobicContact CG1-CD1 4.18Å; V605-V657 PolarHBondContact O-N 3.21Å; V605-Y668 HydrophobicContact CB-CE1 4.31Å; V605-Y668 HydrophobicContact CB-CE2 4.17Å; V605-Y668 VanDerWaalsContact CB-OH 3.3Å; V605-Y668 WeakPolarHBondContact CB-OH 3.42Å; V605-Y668 HydrophobicContact CG1-CD1 4.38Å; V605-Y668 HydrophobicContact CG1-CE1 3.48Å; V605-Y668 VanDerWaalsContact CG1-CE1 3.48Å; V605-Y668 HydrophobicContact CG1-CE2 4.24Å; V605-Y668 WeakPolarHBondContact CG1-OH 3.44Å; V605-Y668 HydrophobicContact CG2-CD2 4.29Å; V605-Y668 HydrophobicContact CG2-CE1 4.36Å; V605-Y668 HydrophobicContact CG2-CE2 3.75Å
606	F	84.3	Confident	76.7	Confident	6 Å²	6	32 Å²	32	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122	179.8	-162.1	-98.6	0	0	0	109.6	S418 V422 Q595 N608 N654 M656	S418-F606 VanDerWaalsContact O-CE2 3.29Å; S418-F606 WeakPolarHBondContact O-CE2 3.19Å; V422-F606 HydrophobicContact CG2-CE2 3.39Å; V422-F606 HydrophobicContact CG2-CZ 3.75Å; Q595-F606 HydrophobicContact CB-CB 4.09Å; Q595-F606 HydrophobicContact CG-CB 4.42Å; Q595-F606 PolarHBondContact N-O 3.14Å; Q595-F606 PolarHBondContact O-N 3.23Å; F606-N608 WeakPolarHBondContact CD1-OD1 3.35Å; F606-N608 PolarHBondContact O-OD1 3.32Å; F606-N654 HydrophobicContact CE1-CB 3.99Å; F606-N654 VanDerWaalsContact CZ-C 3.5Å; F606-N654 HydrophobicContact CZ-CB 3.87Å; F606-M656 HydrophobicContact CD2-CB 3.9Å; F606-M656 HydrophobicContact CD2-CG 3.92Å; F606-M656 HydrophobicContact CE2-CB 4.32Å
607	I	87.5	Confident	76.1	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	110.2	175.8	-54.8	-58.5	0	0	0	107.2	I592 V594 V605 V626 T642 F653 N654 E655 V657 V670	I592-I607 HydrophobicContact CD1-CG2 3.95Å; V594-I607 HydrophobicContact CG1-CD1 3.98Å; V594-I607 HydrophobicContact CG2-CD1 3.9Å; V605-I607 HydrophobicContact CG1-CD1 4.18Å; I607-V626 HydrophobicContact CD1-CG1 4.21Å; I607-V626 HydrophobicContact CG1-CG1 4.2Å; I607-V626 HydrophobicContact CG2-CB 4.22Å; I607-V626 HydrophobicContact CG2-CG1 4.21Å; I607-V626 HydrophobicContact CG2-CG2 4.01Å; I607-T642 HydrophobicContact CB-CG2 4.1Å; I607-T642 HydrophobicContact CG1-CG2 4.13Å; I607-T642 HydrophobicContact CG2-CG2 4.33Å; I607-F653 HydrophobicContact CB-CB 4.39Å; I607-F653 HydrophobicContact CG2-CB 3.99Å; I607-F653 HydrophobicContact CG2-CD2 3.62Å; I607-F653 HydrophobicContact CG2-CE2 4.4Å; I607-F653 HydrophobicContact CG2-CG 3.98Å; I607-F653 WeakPolarHBondContact O-CB 3.25Å; I607-N654 VanDerWaalsContact O-CA 3.23Å; I607-N654 WeakPolarHBondContact O-CA 3.37Å; I607-N654 PolarHBondContact O-N 3.14Å; I607-E655 PolarHBondContact N-O 3.44Å; I607-E655 PolarHBondContact O-N 2.93Å; I607-E655 VanDerWaalsContact O-N 3.13Å; I607-V657 HydrophobicContact CG1-CG2 3.9Å; I607-V670 HydrophobicContact CD1-CG1 4.44Å; I607-V670 HydrophobicContact CD1-CG2 4.23Å
608	N	86.1	Confident	75.8	Confident	6 Å²	6	41 Å²	41	3%	0.032	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-83.6	-174.5	-57.2	50.2	0	0	0	110.8	K593 F606 F653 N654	K593-N608 HydrophobicContact CB-CB 3.99Å; K593-N608 HydrophobicContact CD-CB 3.94Å; K593-N608 HydrophobicContact CG-CB 3.97Å; K593-N608 PolarHBondContact O-N 2.95Å; F606-N608 WeakPolarHBondContact CD1-OD1 3.35Å; F606-N608 PolarHBondContact O-OD1 3.32Å; N608-F653 WeakPolarHBondContact O-CA 3.45Å; N608-F653 PolarHBondContact O-N 3.04Å; N608-N654 WeakPolarHBondContact CA-OD1 3.25Å; N608-N654 PolarHBondContact O-N 2.96Å; N608-N654 PolarHBondContact O-OD1 3.45Å
609	H	88.3	Confident	75.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	154.5	-172.4	-52.4	-81.9	0	0	0	109.9	H364 D368 I592 K593 P651 T652 W700	H364-H609 HydrophobicContact CB-CB 4.44Å; H364-H609 AromaticContact CD2-CE1 3.97Å; H364-H609 AromaticContact CD2-ND1 3.37Å; H364-H609 PolarHBondContact CD2-ND1 3.4Å; H364-H609 AromaticContact CG-CG 3.64Å; H364-H609 AromaticContact CG-ND1 3.46Å; H364-H609 AromaticContact ND1-CG 3.79Å; H364-H609 AromaticContact ND1-ND1 3.92Å; H364-H609 AromaticContact NE2-ND1 3.81Å; D368-H609 IonicContact OD1-CD2 2.8Å; D368-H609 IonicContact OD1-NE2 3.6Å; D368-H609 PolarHBondContact OD1-NE2 3.32Å; D368-H609 IonicContact OD2-CD2 3.66Å; D368-H609 IonicContact OD2-NE2 3.38Å; I592-H609 CarbonylContact C-O 3.54Å; I592-H609 WeakPolarHBondContact CA-O 3.18Å; I592-H609 WeakPolarHBondContact CG1-O 3.32Å; K593-H609 PolarHBondContact N-O 3.48Å; H609-P651 CarbonylContact C-O 3.52Å; H609-P651 VanDerWaalsContact CA-O 3.3Å; H609-P651 WeakPolarHBondContact CA-O 3.34Å; H609-T652 WeakPolarHBondContact CE1-CG2 3.47Å; H609-T652 PolarHBondContact CE1-OG1 3.15Å; H609-T652 WeakPolarHBondContact ND1-CB 3.35Å; H609-T652 VanDerWaalsContact ND1-CG2 3.33Å; H609-T652 WeakPolarHBondContact ND1-CG2 3.18Å; H609-T652 PolarHBondContact ND1-OG1 2.87Å; H609-W700 HydrophobicContact CB-CH2 3.85Å
610	A	86.4	Confident	75.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	155.2	158.4	0	0	0	0	0	109.7	H364 E591 I592 L613 D650 P651 F653	H364-A610 PolarHBondContact CE1-O 3.47Å; E591-A610 CarbonylContact O-C 3.52Å; E591-A610 VanDerWaalsContact O-CA 3.3Å; E591-A610 WeakPolarHBondContact O-CA 3.3Å; I592-A610 HydrophobicContact CB-CB 4.33Å; I592-A610 HydrophobicContact CG1-CB 4.12Å; A610-L613 HydrophobicContact CB-CD1 4.02Å; A610-L613 HydrophobicContact CB-CD2 4.06Å; A610-L613 HydrophobicContact CB-CG 4.08Å; A610-D650 CarbonylContact O-C 3.52Å; A610-D650 WeakPolarHBondContact O-CA 3.48Å; A610-P651 HydrophobicContact CB-CG 3.88Å; A610-P651 PolarHBondContact N-O 3.14Å; A610-F653 HydrophobicContact CB-CE2 4.1Å
611	R	82.6	Confident	76	Confident	66 Å²	66	41.2 Å²	41.2	25%	0.249	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	155.7	174.7	71	-176	179.5	-174.3	-4	112.4	E591 L613 D650 W700	E591-R611 HydrophobicContact CB-CG 4.11Å; E591-R611 PolarHBondContact N-O 3.43Å; E591-R611 VanDerWaalsContact N-O 3.08Å; E591-R611 PolarHBondContact O-N 3.35Å; E591-R611 IonicContact OE2-CZ 3.77Å; E591-R611 IonicContact OE2-NE 3.91Å; E591-R611 PolarHBondContact OE2-NE 3.5Å; E591-R611 IonicContact OE2-NH2 3.14Å; E591-R611 PolarHBondContact OE2-NH2 3.06Å; R611-L613 PolarHBondContact O-N 3.44Å; R611-D650 WeakPolarHBondContact CA-OD1 3.5Å; R611-D650 WeakPolarHBondContact CB-OD1 3.5Å; R611-W700 HydrophobicContact CB-CH2 4.16Å; R611-W700 HydrophobicContact CB-CZ3 4.03Å; R611-W700 HydrophobicContact CG-CE3 4.12Å; R611-W700 HydrophobicContact CG-CH2 3.96Å; R611-W700 HydrophobicContact CG-CZ3 3.54Å
612	N	78.1	Confident	76.5	Confident	46 Å²	46	39.5 Å²	39.5	25%	0.246	22%	0.216	C	C	.	.	S	Bend	trans	60.3	20.6	178.7	-65.7	-39.2	0	0	0	115.2	R649 D650	N612-R649 PolarHBondContact O-NH2 3.29Å; N612-R649 VanDerWaalsContact O-NH2 3.07Å; N612-D650 PolarHBondContact N-OD1 3.39Å
613	L	80	Confident	77	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-55.2	146.7	-176.9	-62.6	175.7	0	0	0	112.4	A610 R611 P622 T624 R649 P651 P672 L679 L703	A610-L613 HydrophobicContact CB-CD1 4.02Å; A610-L613 HydrophobicContact CB-CD2 4.06Å; A610-L613 HydrophobicContact CB-CG 4.08Å; R611-L613 PolarHBondContact O-N 3.44Å; L613-P622 HydrophobicContact CB-CG 4.36Å; L613-T624 HydrophobicContact CD1-CG2 3.54Å; L613-T624 WeakPolarHBondContact CD1-OG1 3.39Å; L613-R649 WeakPolarHBondContact CB-O 3.47Å; L613-R649 WeakPolarHBondContact CG-O 3.22Å; L613-R649 PolarHBondContact N-O 2.87Å; L613-R649 WeakPolarHBondContact O-CG 3.46Å; L613-R649 PolarHBondContact O-NE 3.23Å; L613-R649 PolarHBondContact O-NH2 3.45Å; L613-P651 VanDerWaalsContact CD1-CD 3.47Å; L613-P651 HydrophobicContact CD1-CG 3.7Å; L613-P672 HydrophobicContact CD2-CB 4.46Å; L613-L679 HydrophobicContact CD1-CD1 4.45Å; L613-L703 HydrophobicContact CD2-CD1 3.52Å
614	S	75.1	Confident	77.4	Confident	49 Å²	49	38.8 Å²	38.8	34%	0.343	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-64.6	140.3	-176.8	-66.6	0	0	0	0	112.6	Q590	Q590-S614 PolarHBondContact NE2-OG 3.29Å; Q590-S614 PolarHBondContact OE1-OG 3.12Å
615	L	71.9	Confident	77.8	Confident	40 Å²	40	38.4 Å²	38.4	21%	0.209	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-67.9	141.5	168.6	-69.6	172	0	0	0	110.2	F483 N617 G618 H620 F621 R649	F483-L615 HydrophobicContact CD1-CD1 4.33Å; F483-L615 HydrophobicContact CE1-CD1 4Å; L615-N617 PolarHBondContact O-N 2.94Å; L615-G618 PolarHBondContact O-N 3.42Å; L615-H620 CarbonylContact C-O 3.6Å; L615-H620 WeakPolarHBondContact CA-O 3.47Å; L615-H620 WeakPolarHBondContact CD2-O 3.49Å; L615-F621 HydrophobicContact CD2-CD1 4.1Å; L615-F621 HydrophobicContact CD2-CE1 4.31Å; L615-F621 HydrophobicContact CD2-CG 4.32Å; L615-R649 HydrophobicContact CD2-CG 4Å
616	I	67.4	Low	78	Confident	31 Å²	31	38.3 Å²	38.3	16%	0.159	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-71.8	126.3	172.6	-56.1	150.6	0	0	0	108.2	G618 S619 H620 P622 F674	I616-G618 PolarHBondContact O-N 2.87Å; I616-S619 PolarHBondContact O-N 3.49Å; I616-H620 HydrophobicContact CB-CB 4.22Å; I616-H620 HydrophobicContact CD1-CB 4.45Å; I616-H620 PolarHBondContact N-O 3.14Å; I616-H620 PolarHBondContact O-N 3.38Å; I616-P622 HydrophobicContact CD1-CB 4.08Å; I616-P622 HydrophobicContact CG1-CB 4.18Å; I616-F674 HydrophobicContact CD1-CD1 3.36Å; I616-F674 HydrophobicContact CD1-CD2 3.8Å; I616-F674 HydrophobicContact CD1-CE1 3.14Å; I616-F674 HydrophobicContact CD1-CE2 3.59Å; I616-F674 HydrophobicContact CD1-CG 3.67Å; I616-F674 HydrophobicContact CD1-CZ 3.24Å; I616-F674 HydrophobicContact CG1-CD1 3.66Å; I616-F674 HydrophobicContact CG1-CE1 3.82Å; I616-F674 HydrophobicContact CG1-CG 4.12Å; I616-F674 HydrophobicContact CG1-CZ 4.38Å; I616-F674 HydrophobicContact CG2-CE1 4.18Å
617	N	68.1	Low	77.9	Confident	149 Å²	149	39.2 Å²	39.2	80%	0.797	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	26.2	-177.4	-58.3	-15.8	0	0	0	113	L615 S619	L615-N617 PolarHBondContact O-N 2.94Å; N617-S619 PolarHBondContact O-N 3.29Å; N617-S619 PolarHBondContact O-OG 2.71Å
618	G	67.8	Low	77.5	Confident	49 Å²	49	39.3 Å²	39.3	51%	0.505	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	7.2	-177.2	0	0	0	0	0	116	L615 I616	L615-G618 PolarHBondContact O-N 3.42Å; I616-G618 PolarHBondContact O-N 2.87Å
619	S	67.5	Low	77	Confident	72 Å²	72	40.9 Å²	40.9	50%	0.503	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135	-32.5	-170.4	48.3	0	0	0	0	114.8	I616 N617	I616-S619 PolarHBondContact O-N 3.49Å; N617-S619 PolarHBondContact O-N 3.29Å; N617-S619 PolarHBondContact O-OG 2.71Å
620	H	69.2	Low	76.3	Confident	120 Å²	120	42 Å²	42	56%	0.556	23%	0.225	S	C	*	.	B	Isolated β-bridge	trans	-105.7	139	-175.7	-59.9	-74.2	0	0	0	112	L615 I616	L615-H620 CarbonylContact C-O 3.6Å; L615-H620 WeakPolarHBondContact CA-O 3.47Å; L615-H620 WeakPolarHBondContact CD2-O 3.49Å; I616-H620 HydrophobicContact CB-CB 4.22Å; I616-H620 HydrophobicContact CD1-CB 4.45Å; I616-H620 PolarHBondContact N-O 3.14Å; I616-H620 PolarHBondContact O-N 3.38Å
621	F	71.9	Confident	75.3	Confident	104 Å²	104	44.9 Å²	44.9	46%	0.456	24%	0.236	S	C	.	.			trans	-67.7	138	173	-71.2	-85.3	0	0	0	110.8	L615 G647 R649	L615-F621 HydrophobicContact CD2-CD1 4.1Å; L615-F621 HydrophobicContact CD2-CE1 4.31Å; L615-F621 HydrophobicContact CD2-CG 4.32Å; F621-G647 VanDerWaalsContact CB-C 3.48Å; F621-R649 HydrophobicContact CD1-CG 3.81Å; F621-R649 HydrophobicContact CE1-CG 4.05Å
622	P	72.9	Confident	74.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.257	C	S	.	.			trans	-77	143.8	-179.2	30.1	-32.2	0	0	0	113.7	L613 I616 G647 T648 F674 L679	L613-P622 HydrophobicContact CB-CG 4.36Å; I616-P622 HydrophobicContact CD1-CB 4.08Å; I616-P622 HydrophobicContact CG1-CB 4.18Å; P622-G647 PolarHBondContact O-N 3.29Å; P622-T648 WeakPolarHBondContact CG-O 3.35Å; P622-T648 PolarHBondContact O-N 2.85Å; P622-F674 HydrophobicContact CB-CB 4.31Å; P622-F674 HydrophobicContact CB-CD2 4.48Å; P622-F674 HydrophobicContact CB-CG 4.48Å; P622-L679 HydrophobicContact CB-CD1 4.08Å; P622-L679 HydrophobicContact CG-CD1 4.48Å
623	D	80.7	Confident	74.1	Confident	43 Å²	43	46.1 Å²	46.1	23%	0.23	25%	0.254	C	S	.	.			trans	-89.4	92.6	161.6	-57.8	-21.4	0	0	0	110.1	I644 I645 R646 G647 F674	D623-I644 HydrophobicContact CB-CG2 3.78Å; D623-I645 CarbonylContact C-O 3.43Å; D623-I645 VanDerWaalsContact CA-O 3.31Å; D623-I645 WeakPolarHBondContact CA-O 3.43Å; D623-R646 HydrophobicContact CB-CB 4.41Å; D623-R646 HydrophobicContact CB-CG 4.05Å; D623-R646 WeakPolarHBondContact OD1-CA 3.4Å; D623-R646 WeakPolarHBondContact OD1-CB 3.4Å; D623-G647 PolarHBondContact OD1-N 2.49Å; D623-F674 HydrophobicContact CB-CD2 3.59Å; D623-F674 HydrophobicContact CB-CE2 3.58Å; D623-F674 VanDerWaalsContact O-CD2 3.32Å; D623-F674 WeakPolarHBondContact O-CD2 3.24Å
624	T	82.5	Confident	73.4	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-93.9	140.1	-164.5	-42.5	0	0	0	0	111.6	L613 I644 I645 P651 F653 P672 L679	L613-T624 HydrophobicContact CD1-CG2 3.54Å; L613-T624 WeakPolarHBondContact CD1-OG1 3.39Å; T624-I644 WeakPolarHBondContact O-CA 3.22Å; T624-I645 PolarHBondContact N-O 2.94Å; T624-I645 PolarHBondContact O-N 3.34Å; T624-P651 HydrophobicContact CG2-CG 4.22Å; T624-F653 HydrophobicContact CG2-CZ 3.91Å; T624-P672 HydrophobicContact CG2-CB 3.9Å; T624-L679 HydrophobicContact CG2-CD1 3.96Å
625	Y	85.3	Confident	73.1	Confident	23 Å²	23	63.7 Å²	63.7	9%	0.09	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	156	163.3	67.7	-79	0	0	0	110	K627 K641 I644 P672 T673 N676	Y625-K627 HydrophobicContact CD2-CG 4.13Å; Y625-K627 HydrophobicContact CE2-CD 4.06Å; Y625-K627 HydrophobicContact CE2-CG 3.65Å; Y625-K627 VanDerWaalsContact CZ-CE 3.45Å; Y625-K627 WeakPolarHBondContact OH-CE 3.27Å; Y625-K627 PolarHBondContact OH-NZ 2.89Å; Y625-K627 VanDerWaalsContact OH-NZ 3.1Å; Y625-K641 HydrophobicContact CD2-CB 4.25Å; Y625-I644 HydrophobicContact CD1-CD1 4.49Å; Y625-I644 HydrophobicContact CD1-CG1 3.91Å; Y625-I644 HydrophobicContact CG-CG1 4.05Å; Y625-P672 CarbonylContact O-C 3.39Å; Y625-P672 WeakPolarHBondContact O-CA 3.36Å; Y625-T673 WeakPolarHBondContact CD1-O 3.16Å; Y625-T673 WeakPolarHBondContact CE1-O 3.45Å; Y625-T673 WeakPolarHBondContact CE1-OG1 3.42Å; Y625-T673 WeakPolarHBondContact CE2-OG1 3.45Å; Y625-T673 PolarHBondContact N-O 3.19Å; Y625-T673 VanDerWaalsContact N-O 3.08Å; Y625-T673 PolarHBondContact O-N 3.42Å; Y625-T673 PolarHBondContact O-OG1 3.02Å; Y625-T673 PolarHBondContact OH-OG1 2.94Å; Y625-N676 PolarHBondContact OH-OD1 3.33Å
626	V	83.9	Confident	72.8	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.5	-175.3	172.4	0	0	0	0	109.1	I592 I607 K641 T642 F653 V670 L671 P672	I592-V626 HydrophobicContact CD1-CG1 4.36Å; I592-V626 HydrophobicContact CD1-CG2 3.63Å; I607-V626 HydrophobicContact CD1-CG1 4.21Å; I607-V626 HydrophobicContact CG1-CG1 4.2Å; I607-V626 HydrophobicContact CG2-CB 4.22Å; I607-V626 HydrophobicContact CG2-CG1 4.21Å; I607-V626 HydrophobicContact CG2-CG2 4.01Å; V626-K641 CarbonylContact O-C 3.59Å; V626-K641 WeakPolarHBondContact O-CA 3.45Å; V626-T642 HydrophobicContact CB-CG2 4.03Å; V626-T642 PolarHBondContact N-OG1 3.16Å; V626-T642 PolarHBondContact O-N 3.01Å; V626-F653 HydrophobicContact CG2-CD2 4.06Å; V626-F653 HydrophobicContact CG2-CE1 4.12Å; V626-F653 HydrophobicContact CG2-CE2 3.53Å; V626-F653 HydrophobicContact CG2-CZ 3.57Å; V626-V670 HydrophobicContact CG1-CB 4.36Å; V626-V670 HydrophobicContact CG1-CG1 3.35Å; V626-L671 WeakPolarHBondContact CA-O 3.33Å; V626-P672 HydrophobicContact CG2-CB 4.49Å
627	K	82.7	Confident	72.9	Confident	26 Å²	26	78.9 Å²	78.9	11%	0.113	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	130.7	169.8	-62	177.4	-173.6	167.8	0	109.6	Y625 Y629 K640 V670 L671 N676	Y625-K627 HydrophobicContact CD2-CG 4.13Å; Y625-K627 HydrophobicContact CE2-CD 4.06Å; Y625-K627 HydrophobicContact CE2-CG 3.65Å; Y625-K627 VanDerWaalsContact CZ-CE 3.45Å; Y625-K627 WeakPolarHBondContact OH-CE 3.27Å; Y625-K627 PolarHBondContact OH-NZ 2.89Å; Y625-K627 VanDerWaalsContact OH-NZ 3.1Å; K627-Y629 HydrophobicContact CB-CE2 3.66Å; K627-Y629 WeakPolarHBondContact CD-OH 3.41Å; K627-K640 WeakPolarHBondContact CA-O 3.41Å; K627-V670 CarbonylContact O-C 3.53Å; K627-V670 WeakPolarHBondContact O-CA 3.43Å; K627-L671 HydrophobicContact CB-CB 4.41Å; K627-L671 PolarHBondContact N-O 3.21Å; K627-L671 PolarHBondContact O-N 3.07Å; K627-N676 PolarHBondContact NZ-OD1 3.25Å
628	C	78.4	Confident	73.1	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.007	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.7	-179.2	-61	0	0	0	0	110.7	K639 K640 V657 Y668 K669	C628-K639 WeakPolarHBondContact O-CA 3.25Å; C628-K640 PolarHBondContact N-O 3.48Å; C628-K640 PolarHBondContact O-N 3.33Å; C628-V657 HydrophobicContact CB-CG1 3.81Å; C628-Y668 HydrophobicContact CB-CE1 4.27Å; C628-Y668 HydrophobicContact CB-CE2 3.91Å; C628-Y668 VanDerWaalsContact CB-CZ 3.49Å; C628-Y668 WeakPolarHBondContact CB-OH 3.35Å; C628-Y668 PolarHBondContact SG-OH 3.21Å; C628-K669 CarbonylContact C-O 3.44Å; C628-K669 VanDerWaalsContact CA-O 3.28Å; C628-K669 WeakPolarHBondContact CA-O 3.39Å
629	Y	76	Confident	73.5	Confident	40 Å²	40	74.9 Å²	74.9	16%	0.157	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	137.7	179.7	-52.9	-96	0	0	0	110.3	K627 K639 Y668 K669 L671	K627-Y629 HydrophobicContact CB-CE2 3.66Å; K627-Y629 WeakPolarHBondContact CD-OH 3.41Å; Y629-K639 HydrophobicContact CD1-CB 3.9Å; Y629-K639 HydrophobicContact CD1-CG 4.09Å; Y629-K639 HydrophobicContact CE1-CB 3.71Å; Y629-K639 HydrophobicContact CE1-CD 3.77Å; Y629-K639 HydrophobicContact CE1-CG 3.47Å; Y629-K639 VanDerWaalsContact CE1-CG 3.47Å; Y629-Y668 WeakPolarHBondContact O-CA 3.48Å; Y629-K669 HydrophobicContact CD2-CB 4.39Å; Y629-K669 PolarHBondContact N-O 2.95Å; Y629-K669 PolarHBondContact O-N 3.05Å; Y629-L671 HydrophobicContact CD2-CD1 4.49Å; Y629-L671 HydrophobicContact CE2-CD1 3.77Å; Y629-L671 HydrophobicContact CE2-CG 4.28Å
630	L	73.4	Confident	74	Confident	22 Å²	22	76.5 Å²	76.5	12%	0.115	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	110	167.6	-60.7	169	0	0	0	108.9	L603 D633 S638 V660 I666 Y668	L603-L630 HydrophobicContact CD2-CD2 3.5Å; L603-L630 VanDerWaalsContact CD2-CD2 3.5Å; L630-D633 VanDerWaalsContact O-CB 3.29Å; L630-D633 WeakPolarHBondContact O-CB 3.43Å; L630-S638 WeakPolarHBondContact CA-OG 3.24Å; L630-S638 PolarHBondContact N-OG 2.89Å; L630-S638 PolarHBondContact O-OG 3.21Å; L630-V660 HydrophobicContact CD1-CB 3.75Å; L630-V660 HydrophobicContact CD1-CG1 4.44Å; L630-V660 HydrophobicContact CD1-CG2 3.54Å; L630-I666 HydrophobicContact CB-CD1 4.27Å; L630-I666 HydrophobicContact CB-CG2 3.57Å; L630-I666 HydrophobicContact CD1-CD1 4.43Å; L630-I666 HydrophobicContact CD2-CD1 4.29Å; L630-I666 HydrophobicContact CD2-CG2 3.51Å; L630-I666 HydrophobicContact CG-CG2 4.13Å; L630-Y668 HydrophobicContact CD2-CD2 3.67Å; L630-Y668 HydrophobicContact CD2-CE2 4.15Å
631	R	67.1	Low	74.6	Confident	61 Å²	61	77.8 Å²	77.8	23%	0.23	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	143.1	179	-69.2	-179	161.1	-156.6	-8.3	112	I666 R667 W709	R631-I666 CarbonylContact O-C 3.53Å; R631-I666 WeakPolarHBondContact O-CA 3.19Å; R631-R667 HydrophobicContact CB-CB 4.06Å; R631-R667 WeakPolarHBondContact CB-O 3.22Å; R631-R667 PolarHBondContact N-O 3.3Å; R631-R667 PolarHBondContact O-N 3.15Å; R631-W709 PolarHBondContact NH1-OXT 2.95Å; R631-W709 PolarHBondContact NH2-OXT 3.34Å
632	P	67.8	Low	75.2	Confident	105 Å²	105	73 Å²	73	68%	0.682	31%	0.311	S	S	*	.	S	Bend	cis	-81.7	116.5	7.8	29.3	-32.4	0	0	0	112.6	R634 F665	P632-R634 PolarHBondContact O-N 3.42Å; P632-F665 WeakPolarHBondContact CD-O 3.15Å
633	D	66.7	Low	75.8	Confident	34 Å²	34	80.3 Å²	80.3	18%	0.182	34%	0.338	C	S	.	.			trans	-100.5	62.7	-179.8	-165.4	6.5	0	0	0	110.7	L630 R635 R636 W637 S638	L630-D633 VanDerWaalsContact O-CB 3.29Å; L630-D633 WeakPolarHBondContact O-CB 3.43Å; D633-R635 PolarHBondContact O-N 2.93Å; D633-R635 VanDerWaalsContact O-N 3.08Å; D633-R636 PolarHBondContact O-N 3.21Å; D633-R636 VanDerWaalsContact O-N 3.16Å; D633-R636 VanDerWaalsContact OD1-C 3.3Å; D633-R636 VanDerWaalsContact OD1-CA 3.23Å; D633-R636 WeakPolarHBondContact OD1-CA 3.24Å; D633-R636 PolarHBondContact OD1-N 3.45Å; D633-R636 WeakPolarHBondContact OD2-CA 3.42Å; D633-W637 PolarHBondContact OD1-N 2.96Å; D633-W637 PolarHBondContact OD2-N 3.42Å; D633-S638 WeakPolarHBondContact CB-OG 3.21Å; D633-S638 PolarHBondContact OD1-N 3.38Å; D633-S638 PolarHBondContact OD2-N 3.48Å; D633-S638 PolarHBondContact OD2-OG 2.94Å
634	R	65.5	Low	76	Confident	241 Å²	241	82.5 Å²	82.5	91%	0.909	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-30.2	-174.1	-71.2	-172.4	178.6	-179.5	0.9	112.7	P632	P632-R634 PolarHBondContact O-N 3.42Å
635	R	67.7	Low	75.9	Confident	177 Å²	177	84.3 Å²	84.3	67%	0.668	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	5.2	-176.8	-65.6	-173	175	174.7	-1.8	114.6	D633 W637	D633-R635 PolarHBondContact O-N 2.93Å; D633-R635 VanDerWaalsContact O-N 3.08Å; R635-W637 HydrophobicContact CB-CD2 3.64Å; R635-W637 HydrophobicContact CB-CE3 4.21Å; R635-W637 HydrophobicContact CB-CG 3.87Å; R635-W637 HydrophobicContact CB-CZ2 4.23Å; R635-W637 VanDerWaalsContact CD-CH2 3.49Å; R635-W637 HydrophobicContact CG-CD2 4.5Å; R635-W637 HydrophobicContact CG-CZ2 4.4Å; R635-W637 VanDerWaalsContact O-CD1 3.32Å; R635-W637 PolarHBondContact O-N 2.89Å
636	R	67.4	Low	75.6	Confident	198 Å²	198	92.4 Å²	92.4	75%	0.747	39%	0.389	S	S	*	.	S	Bend	trans	59.4	25.1	-176.7	-62.9	-176.6	178.7	174.5	1.2	114.6	D633	D633-R636 PolarHBondContact O-N 3.21Å; D633-R636 VanDerWaalsContact O-N 3.16Å; D633-R636 VanDerWaalsContact OD1-C 3.3Å; D633-R636 VanDerWaalsContact OD1-CA 3.23Å; D633-R636 WeakPolarHBondContact OD1-CA 3.24Å; D633-R636 PolarHBondContact OD1-N 3.45Å; D633-R636 WeakPolarHBondContact OD2-CA 3.42Å
637	W	68.3	Low	75.2	Confident	191 Å²	191	94.6 Å²	94.6	72%	0.723	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-27.1	-175.9	-69.6	-16.5	0	0	0	112.8	D633 R635 K639	D633-W637 PolarHBondContact OD1-N 2.96Å; D633-W637 PolarHBondContact OD2-N 3.42Å; R635-W637 HydrophobicContact CB-CD2 3.64Å; R635-W637 HydrophobicContact CB-CE3 4.21Å; R635-W637 HydrophobicContact CB-CG 3.87Å; R635-W637 HydrophobicContact CB-CZ2 4.23Å; R635-W637 VanDerWaalsContact CD-CH2 3.49Å; R635-W637 HydrophobicContact CG-CD2 4.5Å; R635-W637 HydrophobicContact CG-CZ2 4.4Å; R635-W637 VanDerWaalsContact O-CD1 3.32Å; R635-W637 PolarHBondContact O-N 2.89Å; W637-K639 PolarHBondContact O-N 2.77Å
638	S	72	Confident	74.8	Confident	19 Å²	19	95 Å²	95	13%	0.133	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	0.5	179.6	69.7	0	0	0	0	113.3	L630 D633 K640	L630-S638 WeakPolarHBondContact CA-OG 3.24Å; L630-S638 PolarHBondContact N-OG 2.89Å; L630-S638 PolarHBondContact O-OG 3.21Å; D633-S638 WeakPolarHBondContact CB-OG 3.21Å; D633-S638 PolarHBondContact OD1-N 3.38Å; D633-S638 PolarHBondContact OD2-N 3.48Å; D633-S638 PolarHBondContact OD2-OG 2.94Å; S638-K640 PolarHBondContact O-N 3.43Å
639	K	76.3	Confident	74.8	Confident	96 Å²	96	97 Å²	97	42%	0.417	42%	0.423	S	S	.	.			trans	-65.2	116.6	178.9	-177	-176.1	178	-171.2	0	111.1	C628 Y629 W637	C628-K639 WeakPolarHBondContact O-CA 3.25Å; Y629-K639 HydrophobicContact CD1-CB 3.9Å; Y629-K639 HydrophobicContact CD1-CG 4.09Å; Y629-K639 HydrophobicContact CE1-CB 3.71Å; Y629-K639 HydrophobicContact CE1-CD 3.77Å; Y629-K639 HydrophobicContact CE1-CG 3.47Å; Y629-K639 VanDerWaalsContact CE1-CG 3.47Å; W637-K639 PolarHBondContact O-N 2.77Å
640	K	79.4	Confident	74.9	Confident	106 Å²	106	96 Å²	96	46%	0.461	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	161.3	169.6	-60.2	-76.8	-172.9	165.4	0	110.1	K627 C628 S638 V657	K627-K640 WeakPolarHBondContact CA-O 3.41Å; C628-K640 PolarHBondContact N-O 3.48Å; C628-K640 PolarHBondContact O-N 3.33Å; S638-K640 PolarHBondContact O-N 3.43Å; K640-V657 HydrophobicContact CB-CG1 3.15Å; K640-V657 HydrophobicContact CG-CG1 3.94Å
641	K	81.8	Confident	75.4	Confident	146 Å²	146	94.9 Å²	94.9	64%	0.635	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.4	145.7	178.9	68	176.8	-175.9	176.9	0	111.4	Y625 V626	Y625-K641 HydrophobicContact CD2-CB 4.25Å; V626-K641 CarbonylContact O-C 3.59Å; V626-K641 WeakPolarHBondContact O-CA 3.45Å
642	T	84.1	Confident	76.2	Confident	4 Å²	4	92.5 Å²	92.5	3%	0.025	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-77.2	171.2	169	63.8	0	0	0	0	111.4	I607 V626 F653 E655 V657	I607-T642 HydrophobicContact CB-CG2 4.1Å; I607-T642 HydrophobicContact CG1-CG2 4.13Å; I607-T642 HydrophobicContact CG2-CG2 4.33Å; V626-T642 HydrophobicContact CB-CG2 4.03Å; V626-T642 PolarHBondContact N-OG1 3.16Å; V626-T642 PolarHBondContact O-N 3.01Å; T642-F653 HydrophobicContact CG2-CB 4.31Å; T642-F653 HydrophobicContact CG2-CD1 4.38Å; T642-F653 HydrophobicContact CG2-CG 4.44Å; T642-F653 VanDerWaalsContact OG1-CD1 3.3Å; T642-F653 WeakPolarHBondContact OG1-CD1 3.36Å; T642-E655 VanDerWaalsContact CA-OE2 3.23Å; T642-E655 WeakPolarHBondContact CA-OE2 3.41Å; T642-E655 HydrophobicContact CG2-CB 4.01Å; T642-V657 HydrophobicContact CG2-CG2 3.96Å
643	R	84.5	Confident	77	Confident	153 Å²	153	88 Å²	88	58%	0.577	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-65.6	159.4	168.8	-58.5	163.4	-165.4	-177.4	4.6	110.4	E655	R643-E655 WeakPolarHBondContact CB-OE1 3.24Å; R643-E655 VanDerWaalsContact CD-OE1 3.32Å; R643-E655 WeakPolarHBondContact CD-OE1 3.34Å; R643-E655 WeakPolarHBondContact CG-OE1 3.24Å; R643-E655 VanDerWaalsContact N-CD 3.32Å; R643-E655 PolarHBondContact N-OE1 2.83Å; R643-E655 PolarHBondContact N-OE2 2.94Å; R643-E655 IonicContact NE-OE1 2.62Å
644	I	85.1	Confident	77.7	Confident	90 Å²	90	86.6 Å²	86.6	46%	0.462	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-87.1	118.1	178.7	-60.5	167.7	0	0	0	108.7	D623 T624 Y625 R646	D623-I644 HydrophobicContact CB-CG2 3.78Å; T624-I644 WeakPolarHBondContact O-CA 3.22Å; Y625-I644 HydrophobicContact CD1-CD1 4.49Å; Y625-I644 HydrophobicContact CD1-CG1 3.91Å; Y625-I644 HydrophobicContact CG-CG1 4.05Å; I644-R646 HydrophobicContact CG2-CG 4.15Å
645	I	80.8	Confident	78.5	Confident	38 Å²	38	76.4 Å²	76.4	20%	0.195	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-99.8	116.7	175.1	-59.2	-178.1	0	0	0	108.4	D623 T624 T648 P651 T652 F653	D623-I645 CarbonylContact C-O 3.43Å; D623-I645 VanDerWaalsContact CA-O 3.31Å; D623-I645 WeakPolarHBondContact CA-O 3.43Å; T624-I645 PolarHBondContact N-O 2.94Å; T624-I645 PolarHBondContact O-N 3.34Å; I645-T648 HydrophobicContact CG2-CG2 3.6Å; I645-P651 HydrophobicContact CB-CB 3.75Å; I645-P651 HydrophobicContact CD1-CB 3.85Å; I645-P651 HydrophobicContact CG1-CB 4.34Å; I645-P651 HydrophobicContact CG2-CB 3.76Å; I645-T652 WeakPolarHBondContact CD1-O 3.16Å; I645-F653 HydrophobicContact CD1-CB 4.46Å; I645-F653 HydrophobicContact CD1-CD1 3.61Å; I645-F653 HydrophobicContact CD1-CE1 4Å; I645-F653 HydrophobicContact CD1-CG 4.13Å; I645-F653 HydrophobicContact CG1-CD1 4.14Å; I645-F653 HydrophobicContact CG1-CE1 4.24Å
646	R	79.9	Confident	79.1	Confident	192 Å²	192	69.5 Å²	69.5	73%	0.725	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-91	145.9	-168.3	-61.2	-169.5	-174.8	175	0.9	112.8	D623 I644 T648	D623-R646 HydrophobicContact CB-CB 4.41Å; D623-R646 HydrophobicContact CB-CG 4.05Å; D623-R646 WeakPolarHBondContact OD1-CA 3.4Å; D623-R646 WeakPolarHBondContact OD1-CB 3.4Å; I644-R646 HydrophobicContact CG2-CG 4.15Å; R646-T648 PolarHBondContact O-N 3.18Å
647	G	74.5	Confident	79.4	Confident	46 Å²	46	60.8 Å²	60.8	47%	0.474	28%	0.277	S	S	.	.	S	Bend	trans	63.1	32.7	165.1	0	0	0	0	0	116	F621 P622 D623	F621-G647 VanDerWaalsContact CB-C 3.48Å; P622-G647 PolarHBondContact O-N 3.29Å; D623-G647 PolarHBondContact OD1-N 2.49Å
648	T	73.6	Confident	79.2	Confident	34 Å²	34	53 Å²	53	21%	0.209	25%	0.249	C	C	.	.			trans	-141	143.6	177.7	-178.3	0	0	0	0	111.9	P622 I645 R646 D650 P651	P622-T648 WeakPolarHBondContact CG-O 3.35Å; P622-T648 PolarHBondContact O-N 2.85Å; I645-T648 HydrophobicContact CG2-CG2 3.6Å; R646-T648 PolarHBondContact O-N 3.18Å; T648-D650 PolarHBondContact OG1-N 2.96Å; T648-D650 PolarHBondContact OG1-O 3.4Å; T648-P651 HydrophobicContact CG2-CB 3.91Å
649	R	78.6	Confident	78.5	Confident	43 Å²	43	57.2 Å²	57.2	16%	0.162	27%	0.266	C	S	.	.	S	Bend	trans	-81.4	-8.6	170.1	-67.3	179.2	66.9	177.7	-5	112.2	N612 L613 L615 F621	N612-R649 PolarHBondContact O-NH2 3.29Å; N612-R649 VanDerWaalsContact O-NH2 3.07Å; L613-R649 WeakPolarHBondContact CB-O 3.47Å; L613-R649 WeakPolarHBondContact CG-O 3.22Å; L613-R649 PolarHBondContact N-O 2.87Å; L613-R649 WeakPolarHBondContact O-CG 3.46Å; L613-R649 PolarHBondContact O-NE 3.23Å; L613-R649 PolarHBondContact O-NH2 3.45Å; L615-R649 HydrophobicContact CD2-CG 4Å; F621-R649 HydrophobicContact CD1-CG 3.81Å; F621-R649 HydrophobicContact CE1-CG 4.05Å
650	D	78.2	Confident	77.4	Confident	19 Å²	19	55.9 Å²	55.9	10%	0.102	27%	0.266	C	S	.	.	S	Bend	trans	-138.2	73.7	-171.2	-47.8	-76.2	0	0	0	109.2	S360 H364 A610 R611 N612 T648	S360-D650 WeakPolarHBondContact OG-CB 3.47Å; S360-D650 PolarHBondContact OG-OD1 3.48Å; S360-D650 PolarHBondContact OG-OD2 3.44Å; H364-D650 PolarHBondContact CE1-O 2.83Å; H364-D650 PolarHBondContact NE2-O 3.39Å; A610-D650 CarbonylContact O-C 3.52Å; A610-D650 WeakPolarHBondContact O-CA 3.48Å; R611-D650 WeakPolarHBondContact CA-OD1 3.5Å; R611-D650 WeakPolarHBondContact CB-OD1 3.5Å; N612-D650 PolarHBondContact N-OD1 3.39Å; T648-D650 PolarHBondContact OG1-N 2.96Å; T648-D650 PolarHBondContact OG1-O 3.4Å
651	P	83.9	Confident	76.2	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	28%	0.284	C	S	.	.			trans	-75.9	138.8	-178.5	30.5	-37	0	0	0	111.8	H609 A610 L613 T624 I645 T648 F653	H609-P651 CarbonylContact C-O 3.52Å; H609-P651 VanDerWaalsContact CA-O 3.3Å; H609-P651 WeakPolarHBondContact CA-O 3.34Å; A610-P651 HydrophobicContact CB-CG 3.88Å; A610-P651 PolarHBondContact N-O 3.14Å; L613-P651 VanDerWaalsContact CD1-CD 3.47Å; L613-P651 HydrophobicContact CD1-CG 3.7Å; T624-P651 HydrophobicContact CG2-CG 4.22Å; I645-P651 HydrophobicContact CB-CB 3.75Å; I645-P651 HydrophobicContact CD1-CB 3.85Å; I645-P651 HydrophobicContact CG1-CB 4.34Å; I645-P651 HydrophobicContact CG2-CB 3.76Å; T648-P651 HydrophobicContact CG2-CB 3.91Å; P651-F653 HydrophobicContact CB-CE1 4.04Å; P651-F653 HydrophobicContact CB-CE2 4Å; P651-F653 HydrophobicContact CB-CZ 3.68Å; P651-F653 HydrophobicContact CG-CD2 4.49Å; P651-F653 HydrophobicContact CG-CE1 4.21Å; P651-F653 HydrophobicContact CG-CE2 3.54Å; P651-F653 HydrophobicContact CG-CZ 3.36Å
652	T	83.9	Confident	74.7	Confident	10 Å²	10	56 Å²	56	6%	0.061	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	98.3	166.9	-66	0	0	0	0	109.7	H364 T425 H609 I645 N654	H364-T652 PolarHBondContact CD2-OG1 2.05Å; H364-T652 PolarHBondContact NE2-OG1 3.1Å; T425-T652 HydrophobicContact CG2-CG2 3.62Å; H609-T652 WeakPolarHBondContact CE1-CG2 3.47Å; H609-T652 PolarHBondContact CE1-OG1 3.15Å; H609-T652 WeakPolarHBondContact ND1-CB 3.35Å; H609-T652 VanDerWaalsContact ND1-CG2 3.33Å; H609-T652 WeakPolarHBondContact ND1-CG2 3.18Å; H609-T652 PolarHBondContact ND1-OG1 2.87Å; I645-T652 WeakPolarHBondContact CD1-O 3.16Å; T652-N654 HydrophobicContact CG2-CB 4.31Å
653	F	85.3	Confident	73	Confident	11 Å²	11	63.1 Å²	63.1	5%	0.048	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-54.6	177.3	-56.2	-74.9	0	0	0	110.6	I607 N608 A610 T624 V626 T642 I645 P651 E655	I607-F653 HydrophobicContact CB-CB 4.39Å; I607-F653 HydrophobicContact CG2-CB 3.99Å; I607-F653 HydrophobicContact CG2-CD2 3.62Å; I607-F653 HydrophobicContact CG2-CE2 4.4Å; I607-F653 HydrophobicContact CG2-CG 3.98Å; I607-F653 WeakPolarHBondContact O-CB 3.25Å; N608-F653 WeakPolarHBondContact O-CA 3.45Å; N608-F653 PolarHBondContact O-N 3.04Å; A610-F653 HydrophobicContact CB-CE2 4.1Å; T624-F653 HydrophobicContact CG2-CZ 3.91Å; V626-F653 HydrophobicContact CG2-CD2 4.06Å; V626-F653 HydrophobicContact CG2-CE1 4.12Å; V626-F653 HydrophobicContact CG2-CE2 3.53Å; V626-F653 HydrophobicContact CG2-CZ 3.57Å; T642-F653 HydrophobicContact CG2-CB 4.31Å; T642-F653 HydrophobicContact CG2-CD1 4.38Å; T642-F653 HydrophobicContact CG2-CG 4.44Å; T642-F653 VanDerWaalsContact OG1-CD1 3.3Å; T642-F653 WeakPolarHBondContact OG1-CD1 3.36Å; I645-F653 HydrophobicContact CD1-CB 4.46Å; I645-F653 HydrophobicContact CD1-CD1 3.61Å; I645-F653 HydrophobicContact CD1-CE1 4Å; I645-F653 HydrophobicContact CD1-CG 4.13Å; I645-F653 HydrophobicContact CG1-CD1 4.14Å; I645-F653 HydrophobicContact CG1-CE1 4.24Å; P651-F653 HydrophobicContact CB-CE1 4.04Å; P651-F653 HydrophobicContact CB-CE2 4Å; P651-F653 HydrophobicContact CB-CZ 3.68Å; P651-F653 HydrophobicContact CG-CD2 4.49Å; P651-F653 HydrophobicContact CG-CE1 4.21Å; P651-F653 HydrophobicContact CG-CE2 3.54Å; P651-F653 HydrophobicContact CG-CZ 3.36Å; F653-E655 WeakPolarHBondContact O-CG 3.46Å; F653-E655 PolarHBondContact O-N 3.18Å
654	N	81.4	Confident	71.2	Confident	4 Å²	4	59.1 Å²	59.1	2%	0.021	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	38.1	56.4	-170.3	-74.5	-10.5	0	0	0	111.2	V367 V422 T425 F606 I607 N608 T652	V367-N654 VanDerWaalsContact CG1-ND2 3.34Å; V367-N654 WeakPolarHBondContact CG1-ND2 2.95Å; V422-N654 WeakPolarHBondContact CG1-O 3.41Å; V422-N654 WeakPolarHBondContact CG2-O 3.19Å; T425-N654 HydrophobicContact CG2-CB 4Å; T425-N654 WeakPolarHBondContact CG2-ND2 3Å; T425-N654 PolarHBondContact OG1-ND2 2.92Å; F606-N654 HydrophobicContact CE1-CB 3.99Å; F606-N654 VanDerWaalsContact CZ-C 3.5Å; F606-N654 HydrophobicContact CZ-CB 3.87Å; I607-N654 VanDerWaalsContact O-CA 3.23Å; I607-N654 WeakPolarHBondContact O-CA 3.37Å; I607-N654 PolarHBondContact O-N 3.14Å; N608-N654 WeakPolarHBondContact CA-OD1 3.25Å; N608-N654 PolarHBondContact O-N 2.96Å; N608-N654 PolarHBondContact O-OD1 3.45Å; T652-N654 HydrophobicContact CG2-CB 4.31Å
655	E	82.9	Confident	69.4	Low	27 Å²	27	62 Å²	62	13%	0.126	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.8	-178.6	-84.1	177.9	-121.7	0	0	109.7	I607 T642 R643 F653	I607-E655 PolarHBondContact N-O 3.44Å; I607-E655 PolarHBondContact O-N 2.93Å; I607-E655 VanDerWaalsContact O-N 3.13Å; T642-E655 VanDerWaalsContact CA-OE2 3.23Å; T642-E655 WeakPolarHBondContact CA-OE2 3.41Å; T642-E655 HydrophobicContact CG2-CB 4.01Å; R643-E655 WeakPolarHBondContact CB-OE1 3.24Å; R643-E655 VanDerWaalsContact CD-OE1 3.32Å; R643-E655 WeakPolarHBondContact CD-OE1 3.34Å; R643-E655 WeakPolarHBondContact CG-OE1 3.24Å; R643-E655 VanDerWaalsContact N-CD 3.32Å; R643-E655 PolarHBondContact N-OE1 2.83Å; R643-E655 PolarHBondContact N-OE2 2.94Å; R643-E655 IonicContact NE-OE1 2.62Å; F653-E655 WeakPolarHBondContact O-CG 3.46Å; F653-E655 PolarHBondContact O-N 3.18Å
656	M	79	Confident	68	Low	33 Å²	33	61.1 Å²	61.1	16%	0.163	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	132.7	172	-142.4	-178.3	174.3	0	0	108.9	S418 E419 E604 F606 D658	S418-M656 VanDerWaalsContact CB-SD 3.51Å; E419-M656 HydrophobicContact CG-SD 4.29Å; E604-M656 HydrophobicContact CB-CE 3.58Å; E604-M656 HydrophobicContact CG-CE 3.43Å; E604-M656 VanDerWaalsContact CG-CE 3.43Å; E604-M656 WeakPolarHBondContact OE1-CE 3.07Å; E604-M656 WeakPolarHBondContact OE2-CE 3.32Å; F606-M656 HydrophobicContact CD2-CB 3.9Å; F606-M656 HydrophobicContact CD2-CG 3.92Å; F606-M656 HydrophobicContact CE2-CB 4.32Å; M656-D658 WeakPolarHBondContact CB-OD2 3.36Å; M656-D658 VanDerWaalsContact CG-CG 3.43Å; M656-D658 VanDerWaalsContact CG-OD1 3.32Å; M656-D658 WeakPolarHBondContact CG-OD1 3.47Å; M656-D658 WeakPolarHBondContact CG-OD2 3.39Å
657	V	73.9	Confident	66.6	Low	15 Å²	15	58.2 Å²	58.2	9%	0.091	29%	0.292	C	S	.	.			trans	-126.2	83.9	-170.7	-173.6	0	0	0	0	108.2	V605 I607 C628 K640 T642	V605-V657 PolarHBondContact O-N 3.21Å; I607-V657 HydrophobicContact CG1-CG2 3.9Å; C628-V657 HydrophobicContact CB-CG1 3.81Å; K640-V657 HydrophobicContact CB-CG1 3.15Å; K640-V657 HydrophobicContact CG-CG1 3.94Å; T642-V657 HydrophobicContact CG2-CG2 3.96Å
658	D	64.3	Low	65.5	Low	26 Å²	26	56.3 Å²	56.3	14%	0.139	27%	0.271	C	S	.	.			trans	-114.3	168.5	-152.4	-67	-46.9	0	0	0	120.3	M656	M656-D658 WeakPolarHBondContact CB-OD2 3.36Å; M656-D658 VanDerWaalsContact CG-CG 3.43Å; M656-D658 VanDerWaalsContact CG-OD1 3.32Å; M656-D658 WeakPolarHBondContact CG-OD1 3.47Å; M656-D658 WeakPolarHBondContact CG-OD2 3.39Å
659	H	57.8	Low	64.7	Low	108 Å²	108	55 Å²	55	50%	0.5	26%	0.262	S	S	.	.			trans	84	72.8	140.6	-58.4	-40.7	0	0	0	116.1	M602	M602-H659 HydrophobicContact CE-CB 3.58Å
660	V	53.6	Low	63.6	Low	68 Å²	68	53 Å²	53	41%	0.412	26%	0.255	S	S	.	.			trans	-121	125	161.9	-171.8	0	0	0	0	108.7	L630 F662	L630-V660 HydrophobicContact CD1-CB 3.75Å; L630-V660 HydrophobicContact CD1-CG1 4.44Å; L630-V660 HydrophobicContact CD1-CG2 3.54Å; V660-F662 PolarHBondContact O-N 2.97Å
661	R	53.9	Low	62.6	Low	223 Å²	223	52.8 Å²	52.8	84%	0.842	25%	0.254	S	S	*	.	B	Isolated β-bridge	trans	-55.5	128.6	168.2	-106.7	-174.6	-175.9	172.6	1.7	108.8	M602 N663	M602-R661 HydrophobicContact SD-CG 4.23Å; R661-N663 PolarHBondContact O-N 3.29Å
662	F	48.9	Very low	61.3	Low	33 Å²	33	52.8 Å²	52.8	15%	0.145	25%	0.254	C	S	.	.			trans	-72.8	122.7	-171.4	-133.1	-83.4	0	0	0	111.8	F598 L603 V660 I666 M686 C690	F598-F662 HydrophobicContact CD2-CD2 4.01Å; F598-F662 HydrophobicContact CD2-CE2 4.37Å; F598-F662 HydrophobicContact CE2-CB 3.91Å; F598-F662 AromaticContact CE2-CD2 3.53Å; F598-F662 HydrophobicContact CE2-CD2 3.53Å; F598-F662 HydrophobicContact CE2-CE2 4.29Å; F598-F662 AromaticContact CE2-CG 3.87Å; F598-F662 HydrophobicContact CE2-CG 3.87Å; F598-F662 HydrophobicContact CZ-CB 4.25Å; F598-F662 HydrophobicContact CZ-CD2 4.5Å; F598-F662 HydrophobicContact CZ-CG 4.44Å; L603-F662 HydrophobicContact CB-CD2 3.93Å; L603-F662 HydrophobicContact CB-CE2 3.86Å; L603-F662 HydrophobicContact CD1-CE2 4.24Å; L603-F662 HydrophobicContact CD2-CE2 3.98Å; L603-F662 HydrophobicContact CG-CE2 4.24Å; V660-F662 PolarHBondContact O-N 2.97Å; F662-I666 HydrophobicContact CE1-CD1 4.28Å; F662-I666 HydrophobicContact CE1-CG1 4.49Å; F662-I666 HydrophobicContact CE2-CD1 4.39Å; F662-I666 HydrophobicContact CZ-CB 4.44Å; F662-I666 HydrophobicContact CZ-CD1 4.09Å; F662-I666 HydrophobicContact CZ-CG1 4.42Å; F662-M686 HydrophobicContact CE2-CE 4.38Å; F662-M686 HydrophobicContact CZ-CB 4.46Å; F662-M686 HydrophobicContact CZ-CE 4.38Å; F662-C690 HydrophobicContact CD1-CB 4.27Å; F662-C690 HydrophobicContact CE1-CB 3.92Å; F662-C690 WeakPolarHBondContact CE1-SG 3.27Å; F662-C690 HydrophobicContact CZ-CB 4.29Å; F662-C690 WeakPolarHBondContact CZ-SG 3.34Å
663	N	50.1	Low	59.9	Low	152 Å²	152	52.6 Å²	52.6	81%	0.813	25%	0.253	S	S	*	.			trans	-132.6	97.2	161.6	-89.6	-11.7	0	0	0	107.5	R661	R661-N663 PolarHBondContact O-N 3.29Å
664	A	46.3	Very low	58.3	Low	70 Å²	70	53.1 Å²	53.1	58%	0.579	26%	0.255	S	S	*	.	S	Bend	trans	34.6	130.1	165.6	0	0	0	0	0	120.6
665	F	46.5	Very low	56.9	Low	150 Å²	150	60.8 Å²	60.8	66%	0.658	29%	0.288	S	S	*	.			trans	63.9	92.9	172.3	-56.1	-77.5	0	0	0	115.6	P632 E687	P632-F665 WeakPolarHBondContact CD-O 3.15Å; F665-E687 HydrophobicContact CD1-CG 4.39Å
666	I	50.8	Low	55.6	Low	20 Å²	20	65.5 Å²	65.5	10%	0.103	31%	0.314	C	S	.	.			trans	-123.4	132.7	174.4	-57.8	177.2	0	0	0	112.7	L630 R631 F662 M686	L630-I666 HydrophobicContact CB-CD1 4.27Å; L630-I666 HydrophobicContact CB-CG2 3.57Å; L630-I666 HydrophobicContact CD1-CD1 4.43Å; L630-I666 HydrophobicContact CD2-CD1 4.29Å; L630-I666 HydrophobicContact CD2-CG2 3.51Å; L630-I666 HydrophobicContact CG-CG2 4.13Å; R631-I666 CarbonylContact O-C 3.53Å; R631-I666 WeakPolarHBondContact O-CA 3.19Å; F662-I666 HydrophobicContact CE1-CD1 4.28Å; F662-I666 HydrophobicContact CE1-CG1 4.49Å; F662-I666 HydrophobicContact CE2-CD1 4.39Å; F662-I666 HydrophobicContact CZ-CB 4.44Å; F662-I666 HydrophobicContact CZ-CD1 4.09Å; F662-I666 HydrophobicContact CZ-CG1 4.42Å; I666-M686 HydrophobicContact CB-CB 4.49Å; I666-M686 HydrophobicContact CB-CG 4.22Å; I666-M686 HydrophobicContact CG2-CG 4.47Å; I666-M686 WeakPolarHBondContact O-CB 3.37Å; I666-M686 WeakPolarHBondContact O-CG 3.46Å; I666-M686 PolarHBondContact O-N 3.32Å; I666-M686 VanDerWaalsContact O-N 3.14Å
667	R	51.1	Low	54.8	Low	131 Å²	131	68 Å²	68	49%	0.494	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.5	160.4	-65.9	-178.8	-178.6	174.1	0.8	108.6	R631 V683 E687	R631-R667 HydrophobicContact CB-CB 4.06Å; R631-R667 WeakPolarHBondContact CB-O 3.22Å; R631-R667 PolarHBondContact N-O 3.3Å; R631-R667 PolarHBondContact O-N 3.15Å; R667-V683 HydrophobicContact CB-CG1 3.94Å; R667-V683 HydrophobicContact CG-CG1 4.36Å; R667-E687 IonicContact NE-OE1 3.48Å; R667-E687 IonicContact NH2-OE1 3.93Å
668	Y	52.7	Low	54.7	Low	5 Å²	5	70.1 Å²	70.1	2%	0.02	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	128.2	178.1	-168.1	-107.6	0	0	0	110.2	V605 C628 Y629 L630 V670 V683 I684	V605-Y668 HydrophobicContact CB-CE1 4.31Å; V605-Y668 HydrophobicContact CB-CE2 4.17Å; V605-Y668 VanDerWaalsContact CB-OH 3.3Å; V605-Y668 WeakPolarHBondContact CB-OH 3.42Å; V605-Y668 HydrophobicContact CG1-CD1 4.38Å; V605-Y668 HydrophobicContact CG1-CE1 3.48Å; V605-Y668 VanDerWaalsContact CG1-CE1 3.48Å; V605-Y668 HydrophobicContact CG1-CE2 4.24Å; V605-Y668 WeakPolarHBondContact CG1-OH 3.44Å; V605-Y668 HydrophobicContact CG2-CD2 4.29Å; V605-Y668 HydrophobicContact CG2-CE1 4.36Å; V605-Y668 HydrophobicContact CG2-CE2 3.75Å; C628-Y668 HydrophobicContact CB-CE1 4.27Å; C628-Y668 HydrophobicContact CB-CE2 3.91Å; C628-Y668 VanDerWaalsContact CB-CZ 3.49Å; C628-Y668 WeakPolarHBondContact CB-OH 3.35Å; C628-Y668 PolarHBondContact SG-OH 3.21Å; Y629-Y668 WeakPolarHBondContact O-CA 3.48Å; L630-Y668 HydrophobicContact CD2-CD2 3.67Å; L630-Y668 HydrophobicContact CD2-CE2 4.15Å; Y668-V670 HydrophobicContact CD1-CG2 3.48Å; Y668-V670 VanDerWaalsContact CD1-CG2 3.48Å; Y668-V670 HydrophobicContact CE1-CG2 3.16Å; Y668-V683 CarbonylContact O-C 3.55Å; Y668-V683 WeakPolarHBondContact O-CA 3.34Å; Y668-I684 HydrophobicContact CD1-CD1 4.35Å; Y668-I684 PolarHBondContact N-O 3.36Å; Y668-I684 VanDerWaalsContact N-O 3.08Å; Y668-I684 PolarHBondContact O-N 3.17Å
669	K	54.9	Low	55	Low	7 Å²	7	69.6 Å²	69.6	3%	0.03	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124	179.3	-177.1	168.1	-176.8	172	0	110.9	C628 Y629 L671 I682 A708	C628-K669 CarbonylContact C-O 3.44Å; C628-K669 VanDerWaalsContact CA-O 3.28Å; C628-K669 WeakPolarHBondContact CA-O 3.39Å; Y629-K669 HydrophobicContact CD2-CB 4.39Å; Y629-K669 PolarHBondContact N-O 2.95Å; Y629-K669 PolarHBondContact O-N 3.05Å; K669-L671 HydrophobicContact CD-CD1 4.47Å; K669-L671 HydrophobicContact CD-CD2 4.01Å; K669-L671 HydrophobicContact CD-CG 4.49Å; K669-L671 HydrophobicContact CG-CD1 4.48Å; K669-L671 HydrophobicContact CG-CD2 3.65Å; K669-L671 HydrophobicContact CG-CG 4.04Å; K669-I682 WeakPolarHBondContact CA-O 3.49Å; K669-A708 PolarHBondContact NZ-O 2.88Å
670	V	55.8	Low	55.9	Low	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	123.3	-178.9	171.7	0	0	0	0	108.5	I592 V594 I607 V626 K627 Y668 G681 I682	I592-V670 HydrophobicContact CD1-CG1 3.62Å; I592-V670 HydrophobicContact CG2-CG1 4.34Å; V594-V670 HydrophobicContact CG2-CG2 4.47Å; I607-V670 HydrophobicContact CD1-CG1 4.44Å; I607-V670 HydrophobicContact CD1-CG2 4.23Å; V626-V670 HydrophobicContact CG1-CB 4.36Å; V626-V670 HydrophobicContact CG1-CG1 3.35Å; K627-V670 CarbonylContact O-C 3.53Å; K627-V670 WeakPolarHBondContact O-CA 3.43Å; Y668-V670 HydrophobicContact CD1-CG2 3.48Å; Y668-V670 VanDerWaalsContact CD1-CG2 3.48Å; Y668-V670 HydrophobicContact CE1-CG2 3.16Å; V670-G681 CarbonylContact O-C 3.51Å; V670-G681 WeakPolarHBondContact O-CA 3.17Å; V670-I682 HydrophobicContact CB-CD1 4.13Å; V670-I682 HydrophobicContact CB-CG1 3.56Å; V670-I682 HydrophobicContact CG1-CG1 4.2Å; V670-I682 HydrophobicContact CG2-CD1 4.1Å; V670-I682 HydrophobicContact CG2-CG1 3.98Å; V670-I682 PolarHBondContact N-O 2.97Å; V670-I682 VanDerWaalsContact N-O 3.13Å; V670-I682 PolarHBondContact O-N 3.41Å; V670-I682 VanDerWaalsContact O-N 3.11Å
671	L	57.5	Low	57	Low	16 Å²	16	61.5 Å²	61.5	8%	0.084	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	97.9	-177.3	-49.8	177.7	0	0	0	110.6	V626 K627 Y629 K669 T673 F678	V626-L671 WeakPolarHBondContact CA-O 3.33Å; K627-L671 HydrophobicContact CB-CB 4.41Å; K627-L671 PolarHBondContact N-O 3.21Å; K627-L671 PolarHBondContact O-N 3.07Å; Y629-L671 HydrophobicContact CD2-CD1 4.49Å; Y629-L671 HydrophobicContact CE2-CD1 3.77Å; Y629-L671 HydrophobicContact CE2-CG 4.28Å; K669-L671 HydrophobicContact CD-CD1 4.47Å; K669-L671 HydrophobicContact CD-CD2 4.01Å; K669-L671 HydrophobicContact CD-CG 4.49Å; K669-L671 HydrophobicContact CG-CD1 4.48Å; K669-L671 HydrophobicContact CG-CD2 3.65Å; K669-L671 HydrophobicContact CG-CG 4.04Å; L671-T673 HydrophobicContact CB-CG2 4.33Å; L671-T673 PolarHBondContact O-N 3.49Å; L671-F678 HydrophobicContact CB-CD2 4.21Å; L671-F678 HydrophobicContact CB-CE2 3.93Å; L671-F678 HydrophobicContact CD1-CE2 4.45Å; L671-F678 HydrophobicContact CD2-CD2 4.21Å; L671-F678 HydrophobicContact CD2-CE2 3.26Å; L671-F678 HydrophobicContact CD2-CZ 3.91Å; L671-F678 HydrophobicContact CG-CE2 4.04Å
672	P	56.8	Low	58.1	Low	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	124.2	160.5	20.7	-33.3	0	0	0	110.3	L613 T624 Y625 V626 L679 G680 L703	L613-P672 HydrophobicContact CD2-CB 4.46Å; T624-P672 HydrophobicContact CG2-CB 3.9Å; Y625-P672 CarbonylContact O-C 3.39Å; Y625-P672 WeakPolarHBondContact O-CA 3.36Å; V626-P672 HydrophobicContact CG2-CB 4.49Å; P672-L679 HydrophobicContact CB-CB 4.21Å; P672-L679 HydrophobicContact CG-CB 4.4Å; P672-L679 PolarHBondContact O-N 3.26Å; P672-G680 WeakPolarHBondContact CD-O 3.17Å; P672-G680 VanDerWaalsContact CG-O 3.24Å; P672-G680 WeakPolarHBondContact CG-O 3.33Å; P672-L703 HydrophobicContact CG-CD1 3.72Å; P672-L703 HydrophobicContact CG-CD2 3.57Å; P672-L703 HydrophobicContact CG-CG 4.3Å
673	T	54.8	Low	59.4	Low	6 Å²	6	52.3 Å²	52.3	4%	0.037	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	145.1	-178.8	48.8	0	0	0	0	110.8	Y625 L671 T677	Y625-T673 WeakPolarHBondContact CD1-O 3.16Å; Y625-T673 WeakPolarHBondContact CE1-O 3.45Å; Y625-T673 WeakPolarHBondContact CE1-OG1 3.42Å; Y625-T673 WeakPolarHBondContact CE2-OG1 3.45Å; Y625-T673 PolarHBondContact N-O 3.19Å; Y625-T673 VanDerWaalsContact N-O 3.08Å; Y625-T673 PolarHBondContact O-N 3.42Å; Y625-T673 PolarHBondContact O-OG1 3.02Å; Y625-T673 PolarHBondContact OH-OG1 2.94Å; L671-T673 HydrophobicContact CB-CG2 4.33Å; L671-T673 PolarHBondContact O-N 3.49Å; T673-T677 CarbonylContact C-O 3.56Å; T673-T677 VanDerWaalsContact CA-O 3.22Å; T673-T677 WeakPolarHBondContact CA-O 3.43Å
674	F	51.2	Low	60.5	Low	22 Å²	22	45.2 Å²	45.2	10%	0.096	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	121.1	170.5	165.9	-100.7	0	0	0	108.5	I616 P622 D623 N676 T677 L679	I616-F674 HydrophobicContact CD1-CD1 3.36Å; I616-F674 HydrophobicContact CD1-CD2 3.8Å; I616-F674 HydrophobicContact CD1-CE1 3.14Å; I616-F674 HydrophobicContact CD1-CE2 3.59Å; I616-F674 HydrophobicContact CD1-CG 3.67Å; I616-F674 HydrophobicContact CD1-CZ 3.24Å; I616-F674 HydrophobicContact CG1-CD1 3.66Å; I616-F674 HydrophobicContact CG1-CE1 3.82Å; I616-F674 HydrophobicContact CG1-CG 4.12Å; I616-F674 HydrophobicContact CG1-CZ 4.38Å; I616-F674 HydrophobicContact CG2-CE1 4.18Å; P622-F674 HydrophobicContact CB-CB 4.31Å; P622-F674 HydrophobicContact CB-CD2 4.48Å; P622-F674 HydrophobicContact CB-CG 4.48Å; D623-F674 HydrophobicContact CB-CD2 3.59Å; D623-F674 HydrophobicContact CB-CE2 3.58Å; D623-F674 VanDerWaalsContact O-CD2 3.32Å; D623-F674 WeakPolarHBondContact O-CD2 3.24Å; F674-N676 PolarHBondContact O-N 3.12Å; F674-T677 PolarHBondContact N-O 3.35Å; F674-T677 WeakPolarHBondContact O-CA 3.16Å; F674-T677 VanDerWaalsContact O-CB 3.25Å; F674-T677 WeakPolarHBondContact O-CB 3.47Å; F674-T677 PolarHBondContact O-N 3.15Å; F674-T677 PolarHBondContact O-OG1 2.86Å; F674-L679 HydrophobicContact CB-CD1 4.29Å
675	K	51.4	Low	61.6	Low	164 Å²	164	45.9 Å²	45.9	71%	0.713	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	42.2	42.8	-179.2	-69.2	-170.3	176.7	-177.5	0	113.9	T677	K675-T677 VanDerWaalsContact C-N 3.26Å; K675-T677 PolarHBondContact O-N 3.44Å
676	N	56.9	Low	62.6	Low	126 Å²	126	39 Å²	39	67%	0.674	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.2	-1.2	-173.9	-64	-32.7	0	0	0	117.4	Y625 K627 F674	Y625-N676 PolarHBondContact OH-OD1 3.33Å; K627-N676 PolarHBondContact NZ-OD1 3.25Å; F674-N676 PolarHBondContact O-N 3.12Å
677	T	62.4	Low	63	Low	85 Å²	85	43.1 Å²	43.1	52%	0.521	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	129.5	167.1	-45.6	0	0	0	0	110.3	T673 F674 K675	T673-T677 CarbonylContact C-O 3.56Å; T673-T677 VanDerWaalsContact CA-O 3.22Å; T673-T677 WeakPolarHBondContact CA-O 3.43Å; F674-T677 PolarHBondContact N-O 3.35Å; F674-T677 WeakPolarHBondContact O-CA 3.16Å; F674-T677 VanDerWaalsContact O-CB 3.25Å; F674-T677 WeakPolarHBondContact O-CB 3.47Å; F674-T677 PolarHBondContact O-N 3.15Å; F674-T677 PolarHBondContact O-OG1 2.86Å; K675-T677 VanDerWaalsContact C-N 3.26Å; K675-T677 PolarHBondContact O-N 3.44Å
678	F	71.5	Confident	63	Low	60 Å²	60	43 Å²	43	26%	0.263	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	121.2	179.4	-179.3	-117.2	0	0	0	110.7	L671 G680 G681 P707	L671-F678 HydrophobicContact CB-CD2 4.21Å; L671-F678 HydrophobicContact CB-CE2 3.93Å; L671-F678 HydrophobicContact CD1-CE2 4.45Å; L671-F678 HydrophobicContact CD2-CD2 4.21Å; L671-F678 HydrophobicContact CD2-CE2 3.26Å; L671-F678 HydrophobicContact CD2-CZ 3.91Å; L671-F678 HydrophobicContact CG-CE2 4.04Å; F678-G680 WeakPolarHBondContact CE2-O 3.42Å; F678-G680 VanDerWaalsContact CZ-CA 3.45Å; F678-G680 WeakPolarHBondContact CZ-O 3.4Å; F678-G681 VanDerWaalsContact CZ-N 3.29Å; F678-P707 HydrophobicContact CE1-CB 4.34Å; F678-P707 HydrophobicContact CZ-CB 4.46Å
679	L	71.1	Confident	63.2	Low	15 Å²	15	43.9 Å²	43.9	8%	0.079	23%	0.23	C	C	.	.			trans	-93.5	-15.1	177.9	-64.6	172.9	0	0	0	112.8	Q590 L613 P622 T624 P672 F674	Q590-L679 PolarHBondContact NE2-O 2.61Å; Q590-L679 PolarHBondContact OE1-O 2.67Å; L613-L679 HydrophobicContact CD1-CD1 4.45Å; P622-L679 HydrophobicContact CB-CD1 4.08Å; P622-L679 HydrophobicContact CG-CD1 4.48Å; T624-L679 HydrophobicContact CG2-CD1 3.96Å; P672-L679 HydrophobicContact CB-CB 4.21Å; P672-L679 HydrophobicContact CG-CB 4.4Å; P672-L679 PolarHBondContact O-N 3.26Å; F674-L679 HydrophobicContact CB-CD1 4.29Å
680	G	75.2	Confident	63.2	Low	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.242	C	C	.	.			trans	145.2	174.5	178.5	0	0	0	0	0	110.6	P672 F678 E704	P672-G680 WeakPolarHBondContact CD-O 3.17Å; P672-G680 VanDerWaalsContact CG-O 3.24Å; P672-G680 WeakPolarHBondContact CG-O 3.33Å; F678-G680 WeakPolarHBondContact CE2-O 3.42Å; F678-G680 VanDerWaalsContact CZ-CA 3.45Å; F678-G680 WeakPolarHBondContact CZ-O 3.4Å; G680-E704 CarbonylContact C-O 3.53Å; G680-E704 WeakPolarHBondContact CA-O 3.16Å
681	G	76.6	Confident	63	Low	6 Å²	6	51.5 Å²	51.5	6%	0.062	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-160.8	166.8	178.1	0	0	0	0	0	114.3	V670 F678 E704	V670-G681 CarbonylContact O-C 3.51Å; V670-G681 WeakPolarHBondContact O-CA 3.17Å; F678-G681 VanDerWaalsContact CZ-N 3.29Å; G681-E704 PolarHBondContact N-O 2.79Å; G681-E704 PolarHBondContact O-N 2.6Å
682	I	77.9	Confident	62.9	Low	9 Å²	9	55.4 Å²	55.4	5%	0.046	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	154.5	177.9	60	162.4	0	0	0	110	I592 V594 K669 V670 I684 F701 R702 L703	I592-I682 HydrophobicContact CG2-CD1 3.98Å; I592-I682 HydrophobicContact CG2-CG1 4.28Å; I592-I682 HydrophobicContact CG2-CG2 4.29Å; V594-I682 HydrophobicContact CG2-CD1 3.97Å; K669-I682 WeakPolarHBondContact CA-O 3.49Å; V670-I682 HydrophobicContact CB-CD1 4.13Å; V670-I682 HydrophobicContact CB-CG1 3.56Å; V670-I682 HydrophobicContact CG1-CG1 4.2Å; V670-I682 HydrophobicContact CG2-CD1 4.1Å; V670-I682 HydrophobicContact CG2-CG1 3.98Å; V670-I682 PolarHBondContact N-O 2.97Å; V670-I682 VanDerWaalsContact N-O 3.13Å; V670-I682 PolarHBondContact O-N 3.41Å; V670-I682 VanDerWaalsContact O-N 3.11Å; I682-I684 HydrophobicContact CD1-CD1 4.01Å; I682-I684 HydrophobicContact CD1-CG1 4.03Å; I682-F701 HydrophobicContact CB-CB 4.24Å; I682-F701 HydrophobicContact CD1-CB 3.59Å; I682-F701 HydrophobicContact CD1-CD1 4.11Å; I682-F701 HydrophobicContact CD1-CD2 3.76Å; I682-F701 HydrophobicContact CD1-CE2 4.45Å; I682-F701 HydrophobicContact CD1-CG 3.55Å; I682-F701 HydrophobicContact CG1-CB 4.42Å; I682-F701 HydrophobicContact CG2-CB 3.59Å; I682-R702 VanDerWaalsContact CG2-O 3.24Å; I682-R702 WeakPolarHBondContact CG2-O 3.39Å; I682-L703 HydrophobicContact CG2-CD2 4.21Å
683	V	75.3	Confident	62.9	Low	54 Å²	54	60.8 Å²	60.8	33%	0.327	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120.1	169.2	-179.6	0	0	0	0	108.8	R667 Y668 P685	R667-V683 HydrophobicContact CB-CG1 3.94Å; R667-V683 HydrophobicContact CG-CG1 4.36Å; Y668-V683 CarbonylContact O-C 3.55Å; Y668-V683 WeakPolarHBondContact O-CA 3.34Å; V683-P685 WeakPolarHBondContact O-CD 3.36Å
684	I	74.6	Confident	63.1	Low	4 Å²	4	63.3 Å²	63.3	2%	0.021	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	112.8	175	-53.7	175.9	0	0	0	107.5	V594 V596 Y668 I682 M686 L689 I697 F701	V594-I684 HydrophobicContact CB-CD1 4.45Å; V594-I684 HydrophobicContact CG1-CD1 4.05Å; V596-I684 HydrophobicContact CG2-CD1 3.81Å; Y668-I684 HydrophobicContact CD1-CD1 4.35Å; Y668-I684 PolarHBondContact N-O 3.36Å; Y668-I684 VanDerWaalsContact N-O 3.08Å; Y668-I684 PolarHBondContact O-N 3.17Å; I682-I684 HydrophobicContact CD1-CD1 4.01Å; I682-I684 HydrophobicContact CD1-CG1 4.03Å; I684-M686 HydrophobicContact CG2-SD 4.25Å; I684-M686 PolarHBondContact O-N 3.21Å; I684-L689 HydrophobicContact CG2-CD1 4.32Å; I684-I697 HydrophobicContact CG2-CD1 4.44Å; I684-F701 HydrophobicContact CD1-CE1 4.14Å; I684-F701 HydrophobicContact CD1-CE2 3.92Å; I684-F701 HydrophobicContact CD1-CZ 3.66Å; I684-F701 HydrophobicContact CG1-CD1 4.5Å; I684-F701 HydrophobicContact CG1-CE1 3.95Å; I684-F701 HydrophobicContact CG1-CZ 3.99Å
685	P	68.5	Low	63.8	Low	83 Å²	83	64.8 Å²	64.8	54%	0.539	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	123.4	175.5	27.1	-30.5	0	0	0	109.9	V683 L689	V683-P685 WeakPolarHBondContact O-CD 3.36Å; P685-L689 WeakPolarHBondContact O-CD1 3.29Å
686	M	67.3	Low	64.7	Low	5 Å²	5	62.1 Å²	62.1	3%	0.025	36%	0.358	C	S	.	.			trans	-95.8	4.6	179	-49.2	-69.9	-66.6	0	0	113.2	V596 L603 F662 I666 I684 N688 L689 C690	V596-M686 HydrophobicContact CG1-CE 3.83Å; V596-M686 HydrophobicContact CG1-SD 4.26Å; L603-M686 HydrophobicContact CD1-CE 3.32Å; L603-M686 HydrophobicContact CD2-CE 4.01Å; L603-M686 HydrophobicContact CG-CE 4.31Å; F662-M686 HydrophobicContact CE2-CE 4.38Å; F662-M686 HydrophobicContact CZ-CB 4.46Å; F662-M686 HydrophobicContact CZ-CE 4.38Å; I666-M686 HydrophobicContact CB-CB 4.49Å; I666-M686 HydrophobicContact CB-CG 4.22Å; I666-M686 HydrophobicContact CG2-CG 4.47Å; I666-M686 WeakPolarHBondContact O-CB 3.37Å; I666-M686 WeakPolarHBondContact O-CG 3.46Å; I666-M686 PolarHBondContact O-N 3.32Å; I666-M686 VanDerWaalsContact O-N 3.14Å; I684-M686 HydrophobicContact CG2-SD 4.25Å; I684-M686 PolarHBondContact O-N 3.21Å; M686-N688 PolarHBondContact O-N 2.9Å; M686-L689 HydrophobicContact CE-CB 4.29Å; M686-L689 HydrophobicContact CE-CD1 4.1Å; M686-L689 PolarHBondContact O-N 3.42Å; M686-L689 HydrophobicContact SD-CD1 3.69Å; M686-C690 PolarHBondContact O-SG 3.42Å
687	E	58.7	Low	65.6	Low	107 Å²	107	57.6 Å²	57.6	50%	0.5	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.9	-166.6	-66.7	172.2	-165.9	0	0	113.5	F665 R667	F665-E687 HydrophobicContact CD1-CG 4.39Å; R667-E687 IonicContact NE-OE1 3.48Å; R667-E687 IonicContact NH2-OE1 3.93Å
688	N	53	Low	66.5	Low	130 Å²	130	56.4 Å²	56.4	70%	0.695	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.4	0.5	175.3	-62.9	-21.5	0	0	0	114.6	M686 T691	M686-N688 PolarHBondContact O-N 2.9Å; N688-T691 PolarHBondContact O-OG1 2.93Å
689	L	57	Low	67.1	Low	23 Å²	23	59.3 Å²	59.3	12%	0.12	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-12.6	-170	-57.5	-173.4	0	0	0	113.6	I684 P685 M686 F695 I697	I684-L689 HydrophobicContact CG2-CD1 4.32Å; P685-L689 WeakPolarHBondContact O-CD1 3.29Å; M686-L689 HydrophobicContact CE-CB 4.29Å; M686-L689 HydrophobicContact CE-CD1 4.1Å; M686-L689 PolarHBondContact O-N 3.42Å; M686-L689 HydrophobicContact SD-CD1 3.69Å; L689-F695 HydrophobicContact CB-CD1 4Å; L689-F695 HydrophobicContact CB-CE1 4.02Å; L689-F695 HydrophobicContact CD1-CE1 3.79Å; L689-F695 HydrophobicContact CD1-CZ 4.43Å; L689-F695 HydrophobicContact CD2-CD1 3.88Å; L689-F695 HydrophobicContact CD2-CD2 4.41Å; L689-F695 HydrophobicContact CD2-CE1 3.18Å; L689-F695 HydrophobicContact CD2-CE2 3.81Å; L689-F695 HydrophobicContact CD2-CG 4.44Å; L689-F695 HydrophobicContact CD2-CZ 3.15Å; L689-F695 HydrophobicContact CG-CD1 4.32Å; L689-F695 HydrophobicContact CG-CE1 3.82Å; L689-F695 HydrophobicContact CG-CZ 4.26Å; L689-I697 HydrophobicContact CD1-CD1 3.7Å; L689-I697 HydrophobicContact CD2-CD1 4.33Å
690	C	53.3	Low	67.6	Low	42 Å²	42	62 Å²	62	28%	0.284	35%	0.348	S	S	.	.	S	Bend	trans	-96.5	-8.6	-166.7	-44.5	0	0	0	0	113.1	F662 M686	F662-C690 HydrophobicContact CD1-CB 4.27Å; F662-C690 HydrophobicContact CE1-CB 3.92Å; F662-C690 WeakPolarHBondContact CE1-SG 3.27Å; F662-C690 HydrophobicContact CZ-CB 4.29Å; F662-C690 WeakPolarHBondContact CZ-SG 3.34Å; M686-C690 PolarHBondContact O-SG 3.42Å
691	T	51.8	Low	67.9	Low	125 Å²	125	64.3 Å²	64.3	77%	0.767	36%	0.358	S	S	*	.	S	Bend	trans	-96.4	-11.4	-177.9	41.2	0	0	0	0	113.5	N688	N688-T691 PolarHBondContact O-OG1 2.93Å
692	I	56.5	Low	68.3	Low	97 Å²	97	72.3 Å²	72.3	50%	0.497	39%	0.387	S	S	.	.	S	Bend	trans	-107.8	106	-177.7	-56.1	171.6	0	0	0	108.3	G694 F695	I692-G694 PolarHBondContact O-N 2.87Å; I692-F695 HydrophobicContact CB-CB 4.11Å; I692-F695 HydrophobicContact CG2-CB 4.28Å; I692-F695 WeakPolarHBondContact O-CB 3.39Å; I692-F695 PolarHBondContact O-N 3.29Å
693	S	55.5	Low	68.3	Low	113 Å²	113	72.3 Å²	72.3	79%	0.79	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	130.3	171.1	47.8	0	0	0	0	109.9
694	G	58.4	Low	68.4	Low	60 Å²	60	75 Å²	75	62%	0.619	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	6.9	-178.1	0	0	0	0	0	115.2	I692 K696	I692-G694 PolarHBondContact O-N 2.87Å; G694-K696 PolarHBondContact O-N 2.93Å
695	F	66.1	Low	67.9	Low	53 Å²	53	80.8 Å²	80.8	23%	0.232	43%	0.426	C	S	.	.			trans	-62.1	128.7	174.7	-177.3	-91.4	0	0	0	111.7	A597 F598 L689 I692 I697	A597-F695 WeakPolarHBondContact CA-O 3.27Å; F598-F695 PolarHBondContact N-O 2.82Å; F598-F695 VanDerWaalsContact N-O 3.08Å; L689-F695 HydrophobicContact CB-CD1 4Å; L689-F695 HydrophobicContact CB-CE1 4.02Å; L689-F695 HydrophobicContact CD1-CE1 3.79Å; L689-F695 HydrophobicContact CD1-CZ 4.43Å; L689-F695 HydrophobicContact CD2-CD1 3.88Å; L689-F695 HydrophobicContact CD2-CD2 4.41Å; L689-F695 HydrophobicContact CD2-CE1 3.18Å; L689-F695 HydrophobicContact CD2-CE2 3.81Å; L689-F695 HydrophobicContact CD2-CG 4.44Å; L689-F695 HydrophobicContact CD2-CZ 3.15Å; L689-F695 HydrophobicContact CG-CD1 4.32Å; L689-F695 HydrophobicContact CG-CE1 3.82Å; L689-F695 HydrophobicContact CG-CZ 4.26Å; I692-F695 HydrophobicContact CB-CB 4.11Å; I692-F695 HydrophobicContact CG2-CB 4.28Å; I692-F695 WeakPolarHBondContact O-CB 3.39Å; I692-F695 PolarHBondContact O-N 3.29Å; F695-I697 HydrophobicContact CE1-CB 4.42Å; F695-I697 HydrophobicContact CE1-CD1 3.42Å; F695-I697 VanDerWaalsContact CE1-CD1 3.42Å; F695-I697 HydrophobicContact CE1-CG1 3.35Å; F695-I697 HydrophobicContact CZ-CD1 3.55Å; F695-I697 HydrophobicContact CZ-CG1 3.34Å
696	K	71.1	Confident	67.3	Low	107 Å²	107	86.7 Å²	86.7	47%	0.465	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	121.6	-180	-177.9	173.3	176.7	169.4	0	110.6	Q595 V596 A597 G694	Q595-K696 HydrophobicContact CG-CG 4.43Å; V596-K696 CarbonylContact O-C 3.34Å; V596-K696 WeakPolarHBondContact O-CA 3.38Å; A597-K696 HydrophobicContact CB-CB 4.41Å; A597-K696 HydrophobicContact CB-CG 4.26Å; G694-K696 PolarHBondContact O-N 2.93Å
697	I	76.5	Confident	66.4	Low	31 Å²	31	88.7 Å²	88.7	16%	0.159	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	140.4	164.9	-68.2	160.6	0	0	0	107.8	Q595 V596 I684 L689 F695 E699 F701	Q595-I697 CarbonylContact C-O 3.46Å; Q595-I697 WeakPolarHBondContact CA-O 3.43Å; Q595-I697 WeakPolarHBondContact CG-O 3.46Å; V596-I697 HydrophobicContact CB-CB 4.47Å; V596-I697 PolarHBondContact N-O 3.38Å; V596-I697 PolarHBondContact O-N 3.14Å; I684-I697 HydrophobicContact CG2-CD1 4.44Å; L689-I697 HydrophobicContact CD1-CD1 3.7Å; L689-I697 HydrophobicContact CD2-CD1 4.33Å; F695-I697 HydrophobicContact CE1-CB 4.42Å; F695-I697 HydrophobicContact CE1-CD1 3.42Å; F695-I697 VanDerWaalsContact CE1-CD1 3.42Å; F695-I697 HydrophobicContact CE1-CG1 3.35Å; F695-I697 HydrophobicContact CZ-CD1 3.55Å; F695-I697 HydrophobicContact CZ-CG1 3.34Å; I697-E699 HydrophobicContact CG2-CB 4.09Å; I697-E699 HydrophobicContact CG2-CG 4Å; I697-F701 HydrophobicContact CG2-CE2 4.25Å; I697-F701 HydrophobicContact CG2-CZ 3.86Å
698	N	81.5	Confident	65.8	Low	61 Å²	61	85.9 Å²	85.9	33%	0.326	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	81.2	169.5	-178.1	14.8	0	0	0	109.5	K593 Q595	K593-N698 WeakPolarHBondContact CE-OD1 3.45Å; Q595-N698 HydrophobicContact CB-CB 4.09Å; Q595-N698 HydrophobicContact CG-CB 4.27Å
699	E	82.2	Confident	65.4	Low	121 Å²	121	90.7 Å²	90.7	57%	0.565	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.8	158.9	-166.2	-70.1	-61.7	157.5	0	0	112.7	K593 V594 I697 F701	K593-E699 VanDerWaalsContact CA-O 3.32Å; K593-E699 WeakPolarHBondContact CA-O 3.46Å; V594-E699 PolarHBondContact N-O 3.33Å; V594-E699 PolarHBondContact O-N 3.27Å; I697-E699 HydrophobicContact CG2-CB 4.09Å; I697-E699 HydrophobicContact CG2-CG 4Å; E699-F701 HydrophobicContact CB-CE2 4.17Å; E699-F701 HydrophobicContact CB-CZ 4.4Å; E699-F701 WeakPolarHBondContact O-CD2 3.37Å; E699-F701 WeakPolarHBondContact O-CE2 3.35Å
700	W	83.1	Confident	65.9	Low	71 Å²	71	94.1 Å²	94.1	27%	0.269	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	121.3	168.1	-73.1	93.4	0	0	0	110.3	E591 K593 H609 R611	E591-W700 HydrophobicContact CB-CE3 3.87Å; E591-W700 HydrophobicContact CB-CZ3 4.47Å; K593-W700 HydrophobicContact CB-CD2 3.72Å; K593-W700 HydrophobicContact CB-CE3 3.76Å; K593-W700 HydrophobicContact CB-CG 4.29Å; K593-W700 HydrophobicContact CB-CH2 4.07Å; K593-W700 HydrophobicContact CB-CZ2 4.02Å; K593-W700 HydrophobicContact CB-CZ3 3.93Å; K593-W700 HydrophobicContact CD-CZ2 4.12Å; K593-W700 HydrophobicContact CG-CD2 4.3Å; K593-W700 HydrophobicContact CG-CG 4.49Å; H609-W700 HydrophobicContact CB-CH2 3.85Å; R611-W700 HydrophobicContact CB-CH2 4.16Å; R611-W700 HydrophobicContact CB-CZ3 4.03Å; R611-W700 HydrophobicContact CG-CE3 4.12Å; R611-W700 HydrophobicContact CG-CH2 3.96Å; R611-W700 HydrophobicContact CG-CZ3 3.54Å
701	F	81.8	Confident	66.5	Low	49 Å²	49	96.8 Å²	96.8	22%	0.215	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	135.1	176.1	-62.4	-93.2	0	0	0	111	E591 I592 V594 I682 I684 I697 E699	E591-F701 CarbonylContact C-O 3.01Å; E591-F701 VanDerWaalsContact CA-O 3.24Å; E591-F701 WeakPolarHBondContact CA-O 3.48Å; I592-F701 HydrophobicContact CG2-CB 4.37Å; I592-F701 PolarHBondContact N-O 3.31Å; I592-F701 PolarHBondContact O-N 3.01Å; V594-F701 HydrophobicContact CB-CD2 4.01Å; V594-F701 HydrophobicContact CB-CE2 3.9Å; V594-F701 HydrophobicContact CG2-CD2 4.35Å; I682-F701 HydrophobicContact CB-CB 4.24Å; I682-F701 HydrophobicContact CD1-CB 3.59Å; I682-F701 HydrophobicContact CD1-CD1 4.11Å; I682-F701 HydrophobicContact CD1-CD2 3.76Å; I682-F701 HydrophobicContact CD1-CE2 4.45Å; I682-F701 HydrophobicContact CD1-CG 3.55Å; I682-F701 HydrophobicContact CG1-CB 4.42Å; I682-F701 HydrophobicContact CG2-CB 3.59Å; I684-F701 HydrophobicContact CD1-CE1 4.14Å; I684-F701 HydrophobicContact CD1-CE2 3.92Å; I684-F701 HydrophobicContact CD1-CZ 3.66Å; I684-F701 HydrophobicContact CG1-CD1 4.5Å; I684-F701 HydrophobicContact CG1-CE1 3.95Å; I684-F701 HydrophobicContact CG1-CZ 3.99Å; I697-F701 HydrophobicContact CG2-CE2 4.25Å; I697-F701 HydrophobicContact CG2-CZ 3.86Å; E699-F701 HydrophobicContact CB-CE2 4.17Å; E699-F701 HydrophobicContact CB-CZ 4.4Å; E699-F701 WeakPolarHBondContact O-CD2 3.37Å; E699-F701 WeakPolarHBondContact O-CE2 3.35Å
702	R	83.7	Confident	67.4	Low	174 Å²	174	95.3 Å²	95.3	66%	0.657	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	127.1	175.4	-177.9	175.1	176.4	170.6	1.4	111	T589 I682 E704	T589-R702 HydrophobicContact CG2-CG 4.38Å; T589-R702 VanDerWaalsContact CG2-NE 3.33Å; I682-R702 VanDerWaalsContact CG2-O 3.24Å; I682-R702 WeakPolarHBondContact CG2-O 3.39Å; R702-E704 PolarHBondContact O-N 3.12Å
703	L	79.2	Confident	68	Low	9 Å²	9	95.2 Å²	95.2	5%	0.047	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-74.7	124.5	177.5	-67.1	169.4	0	0	0	110.6	Q590 I592 L613 P672 I682	Q590-L703 HydrophobicContact CB-CB 3.95Å; Q590-L703 HydrophobicContact CB-CD1 3.87Å; Q590-L703 HydrophobicContact CB-CG 4.41Å; Q590-L703 WeakPolarHBondContact O-CB 3Å; Q590-L703 PolarHBondContact O-N 3.06Å; I592-L703 HydrophobicContact CB-CD2 4.12Å; I592-L703 HydrophobicContact CB-CG 4.39Å; I592-L703 HydrophobicContact CG2-CD2 3.64Å; I592-L703 HydrophobicContact CG2-CG 4.23Å; L613-L703 HydrophobicContact CD2-CD1 3.52Å; P672-L703 HydrophobicContact CG-CD1 3.72Å; P672-L703 HydrophobicContact CG-CD2 3.57Å; P672-L703 HydrophobicContact CG-CG 4.3Å; I682-L703 HydrophobicContact CG2-CD2 4.21Å
704	E	76	Confident	68.8	Low	111 Å²	111	94.1 Å²	94.1	52%	0.519	44%	0.444	S	S	.	.	B	Isolated β-bridge	trans	-89.4	134.1	176.8	-61.6	-177.7	172.5	0	0	110.9	G680 G681 R702 R706	G680-E704 CarbonylContact C-O 3.53Å; G680-E704 WeakPolarHBondContact CA-O 3.16Å; G681-E704 PolarHBondContact N-O 2.79Å; G681-E704 PolarHBondContact O-N 2.6Å; R702-E704 PolarHBondContact O-N 3.12Å; E704-R706 PolarHBondContact O-N 2.75Å
705	N	64.3	Low	69.5	Low	124 Å²	124	96.3 Å²	96.3	66%	0.663	43%	0.432	S	S	*	.	S	Bend	trans	-72.2	-12.5	-179.7	-78.5	-18.4	0	0	0	113.6
706	R	56.2	Low	69.7	Low	208 Å²	208	99.4 Å²	99.4	79%	0.785	45%	0.446	S	S	*	.	S	Bend	trans	-97.2	130	176.7	-71	-173.3	178.8	-176.7	0.3	108.7	E704 A708	E704-R706 PolarHBondContact O-N 2.75Å; R706-A708 PolarHBondContact O-N 3.47Å
707	P	49.1	Very low	69.6	Low	47 Å²	47	98.8 Å²	98.8	31%	0.305	45%	0.445	S	S	.	.			trans	-65.2	98.2	159.1	29.1	-29.9	0	0	0	105.6	F678 W709	F678-P707 HydrophobicContact CE1-CB 4.34Å; F678-P707 HydrophobicContact CZ-CB 4.46Å; P707-W709 HydrophobicContact CB-CD2 4.32Å; P707-W709 HydrophobicContact CB-CG 4.35Å; P707-W709 HydrophobicContact CB-CZ2 4.12Å; P707-W709 VanDerWaalsContact CB-NE1 3.3Å; P707-W709 PolarHBondContact O-N 3.01Å
708	A	44.6	Very low	69	Low	48 Å²	48	104.5 Å²	104.5	40%	0.397	47%	0.469	S	S	.	.			trans	-60.4	96.8	164	0	0	0	0	0	105.6	K669 R706	K669-A708 PolarHBondContact NZ-O 2.88Å; R706-A708 PolarHBondContact O-N 3.47Å
709	W	46.6	Very low	67.9	Low	231 Å²	231	108.5 Å²	108.5	88%	0.875	48%	0.482	S	S	*	.			trans	-79.9	0	-178.6	-77.5	108.9	0	0	0	109.4	R631 P707	R631-W709 PolarHBondContact NH1-OXT 2.95Å; R631-W709 PolarHBondContact NH2-OXT 3.34Å; P707-W709 HydrophobicContact CB-CD2 4.32Å; P707-W709 HydrophobicContact CB-CG 4.35Å; P707-W709 HydrophobicContact CB-CZ2 4.12Å; P707-W709 VanDerWaalsContact CB-NE1 3.3Å; P707-W709 PolarHBondContact O-N 3.01Å

Retrieved 709 of 709 residues in 3109 ms (Link to these results)

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