A0A087XP74_POEFO Loading...

Antigen peptide transporter 1

AlphaFold DB , UniProt , Accession A0A087XP74, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 734 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	40.6	Very low	54.7	Low	233 Å²	233	121.6 Å²	121.6	100%	1.148	59%	0.586	S	S	*	*				0	-3.8	0	-77.4	170.2	78.3	0	0	115.2
2	Q	40.3	Very low	55.9	Low	178 Å²	178	113.8 Å²	113.8	83%	0.832	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-78.2	-18.1	177.7	-102.5	169.7	-20.1	0	0	115.6
3	K	40.2	Very low	57.3	Low	196 Å²	196	110.9 Å²	110.9	85%	0.852	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-77.1	-15.8	-178.5	-75.9	-173.3	176.7	-177.9	0	114.9
4	M	46.8	Very low	58.5	Low	132 Å²	132	107.9 Å²	107.9	65%	0.65	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-83.5	-14.6	177.8	-83.4	-159.3	-166.2	0	0	114.3	Y6 F7	M4-Y6 VanDerWaalsContact C-N 3.3Å; M4-Y6 PolarHBondContact O-N 2.69Å; M4-F7 PolarHBondContact O-N 2.67Å
5	S	52.3	Low	59.4	Low	52 Å²	52	106.1 Å²	106.1	36%	0.364	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-22.9	-176.1	-168.8	0	0	0	0	113.7
6	Y	54.5	Low	60.5	Low	201 Å²	201	99.5 Å²	99.5	79%	0.788	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-20.6	179.3	-71.3	-77.9	0	0	0	113.4	M4 P9	M4-Y6 VanDerWaalsContact C-N 3.3Å; M4-Y6 PolarHBondContact O-N 2.69Å; Y6-P9 WeakPolarHBondContact O-CD 3.46Å
7	F	58.7	Low	61.4	Low	134 Å²	134	95.3 Å²	95.3	59%	0.588	47%	0.474	S	S	*	.	H	α-helix	trans	-85	-21.1	178.8	-89.8	-85.7	0	0	0	113.1	M4 L10 V11	M4-F7 PolarHBondContact O-N 2.67Å; F7-L10 HydrophobicContact CD1-CD2 4.39Å; F7-L10 HydrophobicContact CE1-CD2 4.48Å; F7-L10 WeakPolarHBondContact O-CB 3.31Å; F7-L10 PolarHBondContact O-N 3.46Å; F7-V11 VanDerWaalsContact O-CG2 3.27Å; F7-V11 WeakPolarHBondContact O-CG2 3.18Å; F7-V11 PolarHBondContact O-N 2.91Å
8	F	66	Low	62	Low	3 Å²	3	94.3 Å²	94.3	1%	0.013	48%	0.477	C	S	.	.	H	α-helix	trans	-59.9	-43.8	-177.1	-177.5	-103.4	0	0	0	114.4	L10 V11 C12 L54 Y58 L62 V65	F8-L10 VanDerWaalsContact C-N 3.33Å; F8-L10 PolarHBondContact O-N 3.02Å; F8-V11 PolarHBondContact O-N 3.06Å; F8-C12 PolarHBondContact O-N 3.44Å; F8-C12 PolarHBondContact O-SG 3.22Å; F8-L54 HydrophobicContact CE2-CD2 3.88Å; F8-L54 HydrophobicContact CZ-CD2 4.42Å; F8-Y58 AromaticContact CD2-CD1 3.36Å; F8-Y58 HydrophobicContact CD2-CD1 3.36Å; F8-Y58 AromaticContact CD2-CE1 3.87Å; F8-Y58 HydrophobicContact CD2-CE1 3.87Å; F8-Y58 AromaticContact CD2-CG 3.97Å; F8-Y58 HydrophobicContact CD2-CG 3.97Å; F8-Y58 AromaticContact CE2-CD1 3.68Å; F8-Y58 HydrophobicContact CE2-CD1 3.68Å; F8-Y58 AromaticContact CE2-CG 3.86Å; F8-Y58 HydrophobicContact CE2-CG 3.86Å; F8-Y58 HydrophobicContact CG-CD1 4.49Å; F8-L62 HydrophobicContact CD1-CD1 3.99Å; F8-V65 HydrophobicContact CE1-CG2 4.28Å
9	P	64.6	Low	62.5	Low	60 Å²	60	89.8 Å²	89.8	39%	0.39	46%	0.456	S	S	.	.	H	α-helix	trans	-64	-39.2	175.3	-18.9	31.7	0	0	0	112.1	Y6 C12 I13 L62	Y6-P9 WeakPolarHBondContact O-CD 3.46Å; P9-C12 PolarHBondContact O-N 3.43Å; P9-I13 VanDerWaalsContact O-CG1 3.28Å; P9-I13 WeakPolarHBondContact O-CG1 3.49Å; P9-I13 PolarHBondContact O-N 3.07Å; P9-L62 HydrophobicContact CG-CD1 4.09Å
10	L	68	Low	63	Low	101 Å²	101	85.6 Å²	85.6	53%	0.529	43%	0.434	S	S	.	.	H	α-helix	trans	-64.9	-41.9	178.1	-154.9	97.7	0	0	0	111	F7 F8 I13 C14	F7-L10 HydrophobicContact CD1-CD2 4.39Å; F7-L10 HydrophobicContact CE1-CD2 4.48Å; F7-L10 WeakPolarHBondContact O-CB 3.31Å; F7-L10 PolarHBondContact O-N 3.46Å; F8-L10 VanDerWaalsContact C-N 3.33Å; F8-L10 PolarHBondContact O-N 3.02Å; L10-I13 PolarHBondContact O-N 3.3Å; L10-C14 WeakPolarHBondContact O-CB 3.49Å; L10-C14 PolarHBondContact O-N 3.4Å; L10-C14 PolarHBondContact O-SG 2.73Å
11	V	70.2	Confident	63.4	Low	48 Å²	48	85 Å²	85	29%	0.291	43%	0.43	S	S	.	.	H	α-helix	trans	-65.5	-40.2	175.7	171.3	0	0	0	0	111.3	F7 F8 C14 M15	F7-V11 VanDerWaalsContact O-CG2 3.27Å; F7-V11 WeakPolarHBondContact O-CG2 3.18Å; F7-V11 PolarHBondContact O-N 2.91Å; F8-V11 PolarHBondContact O-N 3.06Å; V11-C14 PolarHBondContact O-N 3.32Å; V11-M15 HydrophobicContact CG1-CG 4.31Å; V11-M15 VanDerWaalsContact O-CB 3.32Å; V11-M15 WeakPolarHBondContact O-CB 3.33Å; V11-M15 VanDerWaalsContact O-CG 3.23Å; V11-M15 WeakPolarHBondContact O-CG 3.33Å; V11-M15 PolarHBondContact O-N 2.84Å
12	C	68.9	Low	64.7	Low	28 Å²	28	76.6 Å²	76.6	19%	0.189	40%	0.397	C	S	.	.	H	α-helix	trans	-63.2	-44	175.2	-68.9	0	0	0	0	111.7	F8 P9 M15 D16	F8-C12 PolarHBondContact O-N 3.44Å; F8-C12 PolarHBondContact O-SG 3.22Å; P9-C12 PolarHBondContact O-N 3.43Å; C12-M15 PolarHBondContact O-N 2.93Å; C12-D16 VanDerWaalsContact O-CB 3.24Å; C12-D16 WeakPolarHBondContact O-CB 3.33Å; C12-D16 PolarHBondContact O-N 3.07Å
13	I	73.5	Confident	66.1	Low	76 Å²	76	69.1 Å²	69.1	39%	0.39	36%	0.363	S	S	.	.	H	α-helix	trans	-64.7	-45.3	176.9	-66.7	164.6	0	0	0	110.5	P9 L10 M15 D16 V17 Y112	P9-I13 VanDerWaalsContact O-CG1 3.28Å; P9-I13 WeakPolarHBondContact O-CG1 3.49Å; P9-I13 PolarHBondContact O-N 3.07Å; L10-I13 PolarHBondContact O-N 3.3Å; I13-M15 PolarHBondContact O-N 3.1Å; I13-D16 PolarHBondContact O-N 3.02Å; I13-V17 HydrophobicContact CG2-CG2 4.44Å; I13-V17 WeakPolarHBondContact O-CB 3.39Å; I13-V17 VanDerWaalsContact O-CG2 3.24Å; I13-V17 WeakPolarHBondContact O-CG2 3.43Å; I13-V17 PolarHBondContact O-N 3.25Å; I13-Y112 HydrophobicContact CG1-CE1 4.37Å
14	C	73.9	Confident	67.3	Low	69 Å²	69	66.3 Å²	66.3	47%	0.466	35%	0.347	S	S	.	.	H	α-helix	trans	-62.1	-42.7	177.3	-71.6	0	0	0	0	112.1	L10 V11 V17 C18	L10-C14 WeakPolarHBondContact O-CB 3.49Å; L10-C14 PolarHBondContact O-N 3.4Å; L10-C14 PolarHBondContact O-SG 2.73Å; V11-C14 PolarHBondContact O-N 3.32Å; C14-V17 PolarHBondContact O-N 3.21Å; C14-C18 WeakPolarHBondContact O-CB 3.35Å; C14-C18 PolarHBondContact O-N 2.71Å; C14-C18 PolarHBondContact O-SG 3.44Å
15	M	72.1	Confident	68.2	Low	81 Å²	81	66 Å²	66	40%	0.399	35%	0.347	S	S	.	.	H	α-helix	trans	-69.8	-34.8	177.9	-72.1	-68.5	-79	0	0	112.3	V11 C12 I13 C18 A19 L54	V11-M15 HydrophobicContact CG1-CG 4.31Å; V11-M15 VanDerWaalsContact O-CB 3.32Å; V11-M15 WeakPolarHBondContact O-CB 3.33Å; V11-M15 VanDerWaalsContact O-CG 3.23Å; V11-M15 WeakPolarHBondContact O-CG 3.33Å; V11-M15 PolarHBondContact O-N 2.84Å; C12-M15 PolarHBondContact O-N 2.93Å; I13-M15 PolarHBondContact O-N 3.1Å; M15-C18 PolarHBondContact O-N 2.98Å; M15-A19 VanDerWaalsContact O-CB 3.31Å; M15-A19 WeakPolarHBondContact O-CB 3.32Å; M15-A19 PolarHBondContact O-N 2.88Å; M15-L54 HydrophobicContact CB-CD1 4.18Å; M15-L54 HydrophobicContact CE-CD1 3.88Å; M15-L54 HydrophobicContact CG-CD1 3.88Å
16	D	76.8	Confident	68.7	Low	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-63.3	-46.6	172.6	-173.1	50.6	0	0	0	111.5	C12 I13 C18 A19 V20 R47 L51 Y112	C12-D16 VanDerWaalsContact O-CB 3.24Å; C12-D16 WeakPolarHBondContact O-CB 3.33Å; C12-D16 PolarHBondContact O-N 3.07Å; I13-D16 PolarHBondContact O-N 3.02Å; D16-C18 PolarHBondContact O-N 3.26Å; D16-A19 PolarHBondContact O-N 2.85Å; D16-V20 VanDerWaalsContact O-CG2 3.32Å; D16-V20 WeakPolarHBondContact O-CG2 3.41Å; D16-V20 PolarHBondContact O-N 3.14Å; D16-R47 VanDerWaalsContact CG-NH2 3.28Å; D16-R47 IonicContact OD1-CZ 3.31Å; D16-R47 VanDerWaalsContact OD1-CZ 3.25Å; D16-R47 IonicContact OD1-NE 2.91Å; D16-R47 PolarHBondContact OD1-NE 3.22Å; D16-R47 IonicContact OD1-NH2 2.63Å; D16-R47 PolarHBondContact OD1-NH2 2.89Å; D16-R47 IonicContact OD2-CZ 2.63Å; D16-R47 IonicContact OD2-NE 3.01Å; D16-R47 IonicContact OD2-NH2 3.15Å; D16-R47 PolarHBondContact OD2-NH2 3.35Å; D16-L51 HydrophobicContact CB-CD2 4.13Å; D16-Y112 WeakPolarHBondContact CB-OH 3.49Å; D16-Y112 VanDerWaalsContact CG-OH 3.29Å; D16-Y112 PolarHBondContact OD2-OH 3.36Å
17	V	75.8	Confident	68.9	Low	28 Å²	28	57.2 Å²	57.2	17%	0.17	32%	0.316	C	S	.	.	H	α-helix	trans	-62.7	-42.1	175.8	171.4	0	0	0	0	110.9	I13 C14 V20 H21 W105	I13-V17 HydrophobicContact CG2-CG2 4.44Å; I13-V17 WeakPolarHBondContact O-CB 3.39Å; I13-V17 VanDerWaalsContact O-CG2 3.24Å; I13-V17 WeakPolarHBondContact O-CG2 3.43Å; I13-V17 PolarHBondContact O-N 3.25Å; C14-V17 PolarHBondContact O-N 3.21Å; V17-V20 PolarHBondContact O-N 3.47Å; V17-H21 WeakPolarHBondContact O-CB 3.29Å; V17-H21 PolarHBondContact O-CD2 3.12Å; V17-H21 VanDerWaalsContact O-CD2 3.25Å; V17-H21 PolarHBondContact O-N 3.15Å; V17-W105 HydrophobicContact CG1-CZ3 4.33Å; V17-W105 HydrophobicContact CG2-CH2 4.35Å; V17-W105 HydrophobicContact CG2-CZ3 3.81Å
18	C	73.4	Confident	69	Low	78 Å²	78	57.4 Å²	57.4	53%	0.527	32%	0.322	S	S	.	.	H	α-helix	trans	-63.1	-40.8	173.5	-74.1	0	0	0	0	112.4	C14 M15 D16 H21 A22	C14-C18 WeakPolarHBondContact O-CB 3.35Å; C14-C18 PolarHBondContact O-N 2.71Å; C14-C18 PolarHBondContact O-SG 3.44Å; M15-C18 PolarHBondContact O-N 2.98Å; D16-C18 PolarHBondContact O-N 3.26Å; C18-H21 PolarHBondContact O-N 2.61Å; C18-A22 VanDerWaalsContact O-CB 3.29Å; C18-A22 WeakPolarHBondContact O-CB 3.12Å; C18-A22 PolarHBondContact O-N 3.42Å
19	A	71.1	Confident	69	Low	9 Å²	9	59.2 Å²	59.2	7%	0.074	34%	0.335	C	S	.	.	H	α-helix	trans	-65	-44.4	177.5	0	0	0	0	0	111.4	M15 D16 H21 A22 I23 I50	M15-A19 VanDerWaalsContact O-CB 3.31Å; M15-A19 WeakPolarHBondContact O-CB 3.32Å; M15-A19 PolarHBondContact O-N 2.88Å; D16-A19 PolarHBondContact O-N 2.85Å; A19-H21 PolarHBondContact O-N 2.91Å; A19-A22 PolarHBondContact O-N 3.38Å; A19-I23 WeakPolarHBondContact O-CD1 3.4Å; A19-I23 WeakPolarHBondContact O-CG1 3.39Å; A19-I23 PolarHBondContact O-N 3.33Å; A19-I50 HydrophobicContact CB-CD1 4.2Å
20	V	72.6	Confident	68.7	Low	4 Å²	4	61.9 Å²	61.9	2%	0.024	35%	0.352	C	S	.	.	H	α-helix	trans	-61.8	-42.3	175.3	172.7	0	0	0	0	110.9	D16 V17 I23 R24 H103 V108	D16-V20 VanDerWaalsContact O-CG2 3.32Å; D16-V20 WeakPolarHBondContact O-CG2 3.41Å; D16-V20 PolarHBondContact O-N 3.14Å; V17-V20 PolarHBondContact O-N 3.47Å; V20-I23 PolarHBondContact O-N 3.01Å; V20-R24 PolarHBondContact O-N 3.3Å; V20-R24 VanDerWaalsContact O-N 3.15Å; V20-H103 HydrophobicContact CG1-CB 4.23Å; V20-H103 PolarHBondContact O-CD2 2.97Å; V20-V108 HydrophobicContact CG1-CG2 4.33Å
21	H	71.2	Confident	68.3	Low	75 Å²	75	64.4 Å²	64.4	35%	0.347	37%	0.365	S	S	.	.	H	α-helix	trans	-72	-30.6	176.1	-81.3	-60.3	0	0	0	114.3	V17 C18 A19 R24 L25	V17-H21 WeakPolarHBondContact O-CB 3.29Å; V17-H21 PolarHBondContact O-CD2 3.12Å; V17-H21 VanDerWaalsContact O-CD2 3.25Å; V17-H21 PolarHBondContact O-N 3.15Å; C18-H21 PolarHBondContact O-N 2.61Å; A19-H21 PolarHBondContact O-N 2.91Å; H21-R24 VanDerWaalsContact O-CB 3.3Å; H21-R24 WeakPolarHBondContact O-CB 3.49Å; H21-R24 PolarHBondContact O-N 3.06Å; H21-L25 PolarHBondContact O-N 3.19Å
22	A	68.6	Low	67.8	Low	56 Å²	56	65.6 Å²	65.6	46%	0.463	37%	0.37	S	S	.	.	H	α-helix	trans	-68.7	-38.2	173.4	0	0	0	0	0	111.7	C18 A19 R24 L25 A26	C18-A22 VanDerWaalsContact O-CB 3.29Å; C18-A22 WeakPolarHBondContact O-CB 3.12Å; C18-A22 PolarHBondContact O-N 3.42Å; A19-A22 PolarHBondContact O-N 3.38Å; A22-R24 VanDerWaalsContact C-N 3.29Å; A22-R24 PolarHBondContact O-N 3.45Å; A22-L25 PolarHBondContact O-N 2.97Å; A22-L25 VanDerWaalsContact O-N 3.16Å; A22-A26 PolarHBondContact O-N 3.48Å
23	I	67.9	Low	67.3	Low	21 Å²	21	68.6 Å²	68.6	11%	0.108	38%	0.383	C	S	.	.	H	α-helix	trans	-63.3	-36.5	173.1	-67.1	161.5	0	0	0	110.7	A19 V20 L25 A26 Q27 G43 R47 W102	A19-I23 WeakPolarHBondContact O-CD1 3.4Å; A19-I23 WeakPolarHBondContact O-CG1 3.39Å; A19-I23 PolarHBondContact O-N 3.33Å; V20-I23 PolarHBondContact O-N 3.01Å; I23-L25 VanDerWaalsContact C-N 3.34Å; I23-L25 PolarHBondContact O-N 2.84Å; I23-A26 PolarHBondContact O-N 3.26Å; I23-Q27 WeakPolarHBondContact O-CG 3.49Å; I23-Q27 PolarHBondContact O-N 3.48Å; I23-G43 VanDerWaalsContact CD1-O 3.27Å; I23-G43 WeakPolarHBondContact CD1-O 3.15Å; I23-R47 HydrophobicContact CD1-CB 4.4Å; I23-W102 HydrophobicContact CG2-CZ3 4.37Å
24	R	66.9	Low	66.6	Low	137 Å²	137	68.7 Å²	68.7	52%	0.517	39%	0.391	S	S	.	.	H	α-helix	trans	-60.2	-39.5	171.6	-170.5	-173.2	173.6	-170.2	-1.2	112.9	V20 H21 A22 Q27 H103	V20-R24 PolarHBondContact O-N 3.3Å; V20-R24 VanDerWaalsContact O-N 3.15Å; H21-R24 VanDerWaalsContact O-CB 3.3Å; H21-R24 WeakPolarHBondContact O-CB 3.49Å; H21-R24 PolarHBondContact O-N 3.06Å; A22-R24 VanDerWaalsContact C-N 3.29Å; A22-R24 PolarHBondContact O-N 3.45Å; R24-Q27 WeakPolarHBondContact O-CB 3.23Å; R24-Q27 PolarHBondContact O-N 2.87Å; R24-H103 HydrophobicContact CB-CB 4.28Å; R24-H103 HydrophobicContact CG-CB 4.27Å
25	L	65.4	Low	66.3	Low	124 Å²	124	70.8 Å²	70.8	65%	0.649	39%	0.394	S	S	*	.	H	α-helix	trans	-71.5	-37.4	178.5	-78.6	157	0	0	0	111.7	H21 A22 I23 Q27 L28	H21-L25 PolarHBondContact O-N 3.19Å; A22-L25 PolarHBondContact O-N 2.97Å; A22-L25 VanDerWaalsContact O-N 3.16Å; I23-L25 VanDerWaalsContact C-N 3.34Å; I23-L25 PolarHBondContact O-N 2.84Å; L25-Q27 PolarHBondContact O-N 3.13Å; L25-L28 HydrophobicContact CD2-CD1 4.45Å; L25-L28 PolarHBondContact O-N 2.72Å
26	A	63.2	Low	66	Low	47 Å²	47	69.1 Å²	69.1	39%	0.388	39%	0.389	S	S	.	.	H	α-helix	trans	-63.9	-29	175.3	0	0	0	0	0	112.8	A22 I23 L28 S29 L32	A22-A26 PolarHBondContact O-N 3.48Å; I23-A26 PolarHBondContact O-N 3.26Å; A26-L28 VanDerWaalsContact C-N 3.31Å; A26-L28 PolarHBondContact O-N 3.24Å; A26-S29 WeakPolarHBondContact O-CB 3.43Å; A26-S29 PolarHBondContact O-N 3.5Å; A26-S29 PolarHBondContact O-OG 2.74Å; A26-L32 HydrophobicContact CB-CD1 4.42Å; A26-L32 WeakPolarHBondContact O-CD1 3.32Å
27	Q	58.2	Low	65.6	Low	23 Å²	23	71.7 Å²	71.7	11%	0.107	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-16.8	176.5	-81	173.8	8	0	0	115.1	I23 R24 L25 S29 W100 H103	I23-Q27 WeakPolarHBondContact O-CG 3.49Å; I23-Q27 PolarHBondContact O-N 3.48Å; R24-Q27 WeakPolarHBondContact O-CB 3.23Å; R24-Q27 PolarHBondContact O-N 2.87Å; L25-Q27 PolarHBondContact O-N 3.13Å; Q27-S29 PolarHBondContact O-N 3.33Å; Q27-W100 HydrophobicContact CB-CZ3 3.94Å; Q27-W100 HydrophobicContact CG-CZ3 4Å; Q27-H103 PolarHBondContact NE2-CE1 2.99Å; Q27-H103 PolarHBondContact NE2-NE2 3.3Å; Q27-H103 PolarHBondContact OE1-CE1 2.86Å; Q27-H103 PolarHBondContact OE1-NE2 2.99Å
28	L	61.5	Low	65.4	Low	138 Å²	138	75.8 Å²	75.8	72%	0.723	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-2.4	173.7	-73.2	159.7	0	0	0	112.7	L25 A26	L25-L28 HydrophobicContact CD2-CD1 4.45Å; L25-L28 PolarHBondContact O-N 2.72Å; A26-L28 VanDerWaalsContact C-N 3.31Å; A26-L28 PolarHBondContact O-N 3.24Å
29	S	64.6	Low	65.4	Low	40 Å²	40	73 Å²	73	28%	0.28	40%	0.4	S	S	.	.	S	Bend	trans	-83.3	134.3	178.9	71.2	0	0	0	0	111.9	A26 Q27 L31 L32	A26-S29 WeakPolarHBondContact O-CB 3.43Å; A26-S29 PolarHBondContact O-N 3.5Å; A26-S29 PolarHBondContact O-OG 2.74Å; Q27-S29 PolarHBondContact O-N 3.33Å; S29-L31 PolarHBondContact O-N 3.08Å; S29-L31 VanDerWaalsContact O-N 3.13Å; S29-L32 PolarHBondContact O-N 2.94Å; S29-L32 WeakPolarHBondContact OG-CD1 3.44Å
30	P	59.2	Low	65.5	Low	117 Å²	117	72.6 Å²	72.6	76%	0.76	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.6	-176.4	-22.3	31	0	0	0	114.8
31	L	60.1	Low	65.7	Low	153 Å²	153	76.9 Å²	76.9	80%	0.801	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-37.8	-178.3	-93	152.2	0	0	0	113.1	S29 S34	S29-L31 PolarHBondContact O-N 3.08Å; S29-L31 VanDerWaalsContact O-N 3.13Å; L31-S34 PolarHBondContact O-OG 3.4Å
32	L	59.2	Low	66	Low	74 Å²	74	74.8 Å²	74.8	39%	0.387	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-85.3	-13.9	-173.3	-85	159.3	0	0	0	113.1	A26 S29 S34 T39	A26-L32 HydrophobicContact CB-CD1 4.42Å; A26-L32 WeakPolarHBondContact O-CD1 3.32Å; S29-L32 PolarHBondContact O-N 2.94Å; S29-L32 WeakPolarHBondContact OG-CD1 3.44Å; L32-S34 VanDerWaalsContact C-N 3.26Å; L32-S34 PolarHBondContact O-N 3Å; L32-T39 HydrophobicContact CB-CG2 3.91Å; L32-T39 HydrophobicContact CD2-CG2 3.35Å; L32-T39 HydrophobicContact CG-CG2 4.24Å; L32-T39 WeakPolarHBondContact O-CG2 3.34Å
33	L	58.5	Low	66.4	Low	90 Å²	90	72.3 Å²	72.3	47%	0.471	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-67.5	-21.5	175.9	-90	145.9	0	0	0	114.1	H35 W100	L33-H35 PolarHBondContact O-N 3.37Å; L33-W100 HydrophobicContact CD2-CH2 3.67Å; L33-W100 HydrophobicContact CD2-CZ2 3.91Å; L33-W100 HydrophobicContact CG-CH2 4.3Å
34	S	59	Low	66.8	Low	78 Å²	78	71.3 Å²	71.3	55%	0.545	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-73.6	-22.1	-176.4	58.5	0	0	0	0	114.2	L31 L32	L31-S34 PolarHBondContact O-OG 3.4Å; L32-S34 VanDerWaalsContact C-N 3.26Å; L32-S34 PolarHBondContact O-N 3Å
35	H	67.2	Low	67.5	Low	113 Å²	113	69.8 Å²	69.8	52%	0.523	39%	0.388	S	S	.	.			trans	-138.9	72.3	-176.9	-66	-60.7	0	0	0	113.2	L33 F37 I38 T39	L33-H35 PolarHBondContact O-N 3.37Å; H35-F37 PolarHBondContact O-N 3.31Å; H35-F37 VanDerWaalsContact O-N 3.09Å; H35-I38 HydrophobicContact CB-CB 4.06Å; H35-I38 HydrophobicContact CB-CD1 3.73Å; H35-I38 HydrophobicContact CB-CG1 3.98Å; H35-I38 PolarHBondContact O-N 3Å; H35-T39 WeakPolarHBondContact O-CG2 3.09Å; H35-T39 PolarHBondContact O-N 3.19Å
36	P	66.5	Low	68.2	Low	47 Å²	47	67.3 Å²	67.3	31%	0.305	38%	0.378	S	S	.	.	H	α-helix	trans	-53.2	-31.9	-175.6	9.2	-23.5	0	0	0	116	T39 L40 L99	P36-T39 PolarHBondContact O-OG1 3.31Å; P36-L40 WeakPolarHBondContact O-CB 3.47Å; P36-L40 PolarHBondContact O-N 3.47Å; P36-L99 HydrophobicContact CB-CD2 3.22Å; P36-L99 HydrophobicContact CG-CD2 4.48Å
37	F	68.5	Low	69.1	Low	54 Å²	54	65.4 Å²	65.4	24%	0.237	36%	0.361	C	S	.	.	H	α-helix	trans	-73.7	-37	178.3	-101.8	-87.6	0	0	0	113	H35 T39 L40 W41 A86 W89	H35-F37 PolarHBondContact O-N 3.31Å; H35-F37 VanDerWaalsContact O-N 3.09Å; F37-T39 VanDerWaalsContact C-N 3.28Å; F37-L40 PolarHBondContact O-N 3.39Å; F37-W41 PolarHBondContact O-N 3.01Å; F37-W41 VanDerWaalsContact O-N 3.1Å; F37-A86 HydrophobicContact CE1-CB 3.88Å; F37-W89 HydrophobicContact CE2-CB 4.03Å; F37-W89 AromaticContact CE2-CD1 3.94Å; F37-W89 AromaticContact CE2-CD2 3.8Å; F37-W89 HydrophobicContact CE2-CD2 3.8Å; F37-W89 HydrophobicContact CE2-CE3 4.33Å; F37-W89 AromaticContact CE2-CG 3.64Å; F37-W89 HydrophobicContact CE2-CG 3.64Å; F37-W89 HydrophobicContact CZ-CB 3.63Å; F37-W89 AromaticContact CZ-CD2 3.89Å; F37-W89 HydrophobicContact CZ-CD2 3.89Å; F37-W89 HydrophobicContact CZ-CE3 4.1Å; F37-W89 AromaticContact CZ-CG 3.69Å; F37-W89 HydrophobicContact CZ-CG 3.69Å
38	I	71.6	Confident	70.2	Confident	114 Å²	114	65.3 Å²	65.3	59%	0.585	36%	0.364	S	S	*	.	H	α-helix	trans	-68	-36.4	178.5	-61	-179.5	0	0	0	109.4	H35 G42	H35-I38 HydrophobicContact CB-CB 4.06Å; H35-I38 HydrophobicContact CB-CD1 3.73Å; H35-I38 HydrophobicContact CB-CG1 3.98Å; H35-I38 PolarHBondContact O-N 3Å; I38-G42 WeakPolarHBondContact O-CA 3.23Å; I38-G42 PolarHBondContact O-N 3.27Å
39	T	71.4	Confident	71.2	Confident	18 Å²	18	65.9 Å²	65.9	11%	0.11	36%	0.361	C	S	.	.	H	α-helix	trans	-70.6	-37.7	177.8	67.9	0	0	0	0	112.4	L32 H35 P36 F37 G43	L32-T39 HydrophobicContact CB-CG2 3.91Å; L32-T39 HydrophobicContact CD2-CG2 3.35Å; L32-T39 HydrophobicContact CG-CG2 4.24Å; L32-T39 WeakPolarHBondContact O-CG2 3.34Å; H35-T39 WeakPolarHBondContact O-CG2 3.09Å; H35-T39 PolarHBondContact O-N 3.19Å; P36-T39 PolarHBondContact O-OG1 3.31Å; F37-T39 VanDerWaalsContact C-N 3.28Å; T39-G43 PolarHBondContact O-N 3.27Å
40	L	73.9	Confident	72	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.01	36%	0.364	C	S	.	.	H	α-helix	trans	-64.4	-51.9	176.2	-175.1	68	0	0	0	112.1	P36 F37 G43 A44 F81 P82 I85 W102	P36-L40 WeakPolarHBondContact O-CB 3.47Å; P36-L40 PolarHBondContact O-N 3.47Å; F37-L40 PolarHBondContact O-N 3.39Å; L40-G43 PolarHBondContact O-N 3.43Å; L40-A44 PolarHBondContact O-N 3.27Å; L40-A44 VanDerWaalsContact O-N 3.08Å; L40-F81 HydrophobicContact CD1-CD1 4.18Å; L40-F81 HydrophobicContact CD1-CE1 4.14Å; L40-P82 HydrophobicContact CD2-CB 4.34Å; L40-P82 HydrophobicContact CG-CB 4.15Å; L40-P82 HydrophobicContact CG-CG 4.36Å; L40-I85 HydrophobicContact CD2-CB 3.94Å; L40-I85 HydrophobicContact CD2-CG2 3.79Å; L40-W102 HydrophobicContact CD1-CD2 4.32Å; L40-W102 HydrophobicContact CD1-CE3 3.76Å; L40-W102 HydrophobicContact CD1-CZ3 4.06Å
41	W	77.8	Confident	72.9	Confident	93 Å²	93	62.1 Å²	62.1	35%	0.352	33%	0.331	S	S	.	.	H	α-helix	trans	-70.7	-36.9	178.8	-79.7	94.2	0	0	0	112.5	F37 A44 L45 F79 P82 V83	F37-W41 PolarHBondContact O-N 3.01Å; F37-W41 VanDerWaalsContact O-N 3.1Å; W41-A44 PolarHBondContact O-N 2.93Å; W41-L45 PolarHBondContact O-N 3.08Å; W41-F79 HydrophobicContact CE3-CD1 4.21Å; W41-F79 HydrophobicContact CE3-CE1 4.44Å; W41-F79 AromaticContact CZ3-CD1 3.89Å; W41-F79 HydrophobicContact CZ3-CD1 3.89Å; W41-F79 HydrophobicContact CZ3-CE1 4.41Å; W41-P82 HydrophobicContact CD2-CB 4.1Å; W41-P82 HydrophobicContact CE3-CB 4.4Å; W41-P82 HydrophobicContact CH2-CB 4.49Å; W41-P82 HydrophobicContact CZ2-CB 4.18Å; W41-V83 HydrophobicContact CH2-CG2 3.72Å; W41-V83 HydrophobicContact CZ2-CG2 4.2Å
42	G	77.5	Confident	73.8	Confident	31 Å²	31	55.5 Å²	55.5	32%	0.32	30%	0.299	S	S	.	.	H	α-helix	trans	-62.3	-42.8	173.2	0	0	0	0	0	112.3	I38 A44 L45 T46	I38-G42 WeakPolarHBondContact O-CA 3.23Å; I38-G42 PolarHBondContact O-N 3.27Å; G42-A44 VanDerWaalsContact C-N 3.35Å; G42-A44 PolarHBondContact O-N 3.15Å; G42-L45 PolarHBondContact O-N 3.07Å; G42-T46 WeakPolarHBondContact O-CG2 3.08Å; G42-T46 PolarHBondContact O-N 3.06Å; G42-T46 PolarHBondContact O-OG1 3.29Å
43	G	75.8	Confident	74.9	Confident	5 Å²	5	57.9 Å²	57.9	5%	0.052	31%	0.307	C	S	.	.	H	α-helix	trans	-63.7	-37	173.8	0	0	0	0	0	113.2	I23 T39 L40 T46 R47	I23-G43 VanDerWaalsContact CD1-O 3.27Å; I23-G43 WeakPolarHBondContact CD1-O 3.15Å; T39-G43 PolarHBondContact O-N 3.27Å; L40-G43 PolarHBondContact O-N 3.43Å; G43-T46 WeakPolarHBondContact CA-OG1 3.42Å; G43-T46 PolarHBondContact O-OG1 3.12Å; G43-R47 VanDerWaalsContact O-CB 3.23Å; G43-R47 WeakPolarHBondContact O-CB 3.43Å; G43-R47 PolarHBondContact O-N 3.37Å
44	A	77.9	Confident	75.7	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-69.7	-39.2	177.2	0	0	0	0	0	112.4	L40 W41 G42 R47 A48 C78 F79 P82 W102	L40-A44 PolarHBondContact O-N 3.27Å; L40-A44 VanDerWaalsContact O-N 3.08Å; W41-A44 PolarHBondContact O-N 2.93Å; G42-A44 VanDerWaalsContact C-N 3.35Å; G42-A44 PolarHBondContact O-N 3.15Å; A44-R47 PolarHBondContact O-N 2.81Å; A44-A48 WeakPolarHBondContact O-CB 3.33Å; A44-A48 PolarHBondContact O-N 3.06Å; A44-C78 WeakPolarHBondContact CB-O 3.23Å; A44-F79 HydrophobicContact CB-CD1 3.85Å; A44-F79 HydrophobicContact CB-CE1 3.87Å; A44-P82 HydrophobicContact CB-CB 4.5Å; A44-P82 HydrophobicContact CB-CG 3.47Å; A44-P82 VanDerWaalsContact CB-CG 3.47Å; A44-W102 HydrophobicContact CB-CH2 4Å
45	L	80.9	Confident	76.4	Confident	104 Å²	104	50.9 Å²	50.9	55%	0.545	26%	0.264	S	S	.	.	H	α-helix	trans	-65.1	-43.6	174.8	-81	162.6	0	0	0	112.1	W41 G42 A48 F49 F79	W41-L45 PolarHBondContact O-N 3.08Å; G42-L45 PolarHBondContact O-N 3.07Å; L45-A48 PolarHBondContact O-N 3.26Å; L45-F49 WeakPolarHBondContact O-CB 3.37Å; L45-F49 PolarHBondContact O-N 3.05Å; L45-F79 HydrophobicContact CD2-CE1 4.21Å; L45-F79 HydrophobicContact CD2-CZ 3.93Å; L45-F79 HydrophobicContact CG-CE1 4.12Å; L45-F79 HydrophobicContact CG-CZ 4.28Å
46	T	80	Confident	76.8	Confident	72 Å²	72	51 Å²	51	44%	0.442	26%	0.263	S	S	.	.	H	α-helix	trans	-65.7	-41.8	176.8	53.6	0	0	0	0	111.5	G42 G43 F49 I50	G42-T46 WeakPolarHBondContact O-CG2 3.08Å; G42-T46 PolarHBondContact O-N 3.06Å; G42-T46 PolarHBondContact O-OG1 3.29Å; G43-T46 WeakPolarHBondContact CA-OG1 3.42Å; G43-T46 PolarHBondContact O-OG1 3.12Å; T46-F49 PolarHBondContact O-N 3.1Å; T46-I50 VanDerWaalsContact O-CG1 3.26Å; T46-I50 WeakPolarHBondContact O-CG1 3.35Å; T46-I50 PolarHBondContact O-N 3Å
47	R	81.3	Confident	77.1	Confident	8 Å²	8	52.3 Å²	52.3	3%	0.03	27%	0.27	C	S	.	.	H	α-helix	trans	-59.6	-46.3	173.7	-171.5	-178.7	178.1	-148.8	-3.1	112.1	D16 I23 G43 A44 F49 I50 L51 L77	D16-R47 VanDerWaalsContact CG-NH2 3.28Å; D16-R47 IonicContact OD1-CZ 3.31Å; D16-R47 VanDerWaalsContact OD1-CZ 3.25Å; D16-R47 IonicContact OD1-NE 2.91Å; D16-R47 PolarHBondContact OD1-NE 3.22Å; D16-R47 IonicContact OD1-NH2 2.63Å; D16-R47 PolarHBondContact OD1-NH2 2.89Å; D16-R47 IonicContact OD2-CZ 2.63Å; D16-R47 IonicContact OD2-NE 3.01Å; D16-R47 IonicContact OD2-NH2 3.15Å; D16-R47 PolarHBondContact OD2-NH2 3.35Å; I23-R47 HydrophobicContact CD1-CB 4.4Å; G43-R47 VanDerWaalsContact O-CB 3.23Å; G43-R47 WeakPolarHBondContact O-CB 3.43Å; G43-R47 PolarHBondContact O-N 3.37Å; A44-R47 PolarHBondContact O-N 2.81Å; R47-F49 PolarHBondContact O-N 3.35Å; R47-I50 PolarHBondContact O-N 2.97Å; R47-L51 HydrophobicContact CG-CD1 4.32Å; R47-L51 WeakPolarHBondContact O-CG 3.34Å; R47-L51 PolarHBondContact O-N 3.48Å; R47-L77 PolarHBondContact NH1-O 3.06Å
48	A	82.3	Confident	77.4	Confident	20 Å²	20	53.5 Å²	53.5	17%	0.165	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-40.2	176.5	0	0	0	0	0	112.3	A44 L45 G52 C78 F79	A44-A48 WeakPolarHBondContact O-CB 3.33Å; A44-A48 PolarHBondContact O-N 3.06Å; L45-A48 PolarHBondContact O-N 3.26Å; A48-G52 PolarHBondContact O-N 3.34Å; A48-C78 VanDerWaalsContact CA-SG 3.55Å; A48-C78 HydrophobicContact CB-CB 3.91Å; A48-F79 HydrophobicContact CB-CE2 3.88Å; A48-F79 HydrophobicContact CB-CZ 3.94Å
49	F	82.3	Confident	76.8	Confident	151 Å²	151	54.2 Å²	54.2	66%	0.662	29%	0.285	S	S	*	.	H	α-helix	trans	-65.9	-44.2	177.4	-173.8	-97.6	0	0	0	112	L45 T46 R47 F53	L45-F49 WeakPolarHBondContact O-CB 3.37Å; L45-F49 PolarHBondContact O-N 3.05Å; T46-F49 PolarHBondContact O-N 3.1Å; R47-F49 PolarHBondContact O-N 3.35Å; F49-F53 WeakPolarHBondContact O-CB 3.39Å; F49-F53 PolarHBondContact O-N 3.02Å
50	I	81.1	Confident	76.3	Confident	65 Å²	65	54.6 Å²	54.6	33%	0.333	29%	0.293	S	S	.	.	H	α-helix	trans	-62.2	-49.5	178.1	-69.1	164.9	0	0	0	110.5	A19 T46 R47 F53 L54	A19-I50 HydrophobicContact CB-CD1 4.2Å; T46-I50 VanDerWaalsContact O-CG1 3.26Å; T46-I50 WeakPolarHBondContact O-CG1 3.35Å; T46-I50 PolarHBondContact O-N 3Å; R47-I50 PolarHBondContact O-N 2.97Å; I50-F53 PolarHBondContact O-N 3.29Å; I50-L54 VanDerWaalsContact O-CB 3.28Å; I50-L54 WeakPolarHBondContact O-CB 3.49Å; I50-L54 PolarHBondContact O-N 3.18Å
51	L	79.4	Confident	75.7	Confident	13 Å²	13	55.2 Å²	55.2	7%	0.068	30%	0.3	C	S	.	.	H	α-helix	trans	-67.7	-40.4	-179.4	-68.8	176.3	0	0	0	112.4	D16 R47 L54 A55 I74 L77	D16-L51 HydrophobicContact CB-CD2 4.13Å; R47-L51 HydrophobicContact CG-CD1 4.32Å; R47-L51 WeakPolarHBondContact O-CG 3.34Å; R47-L51 PolarHBondContact O-N 3.48Å; L51-L54 PolarHBondContact O-N 3.24Å; L51-A55 WeakPolarHBondContact O-CB 3.42Å; L51-A55 PolarHBondContact O-N 2.9Å; L51-I74 HydrophobicContact CB-CG2 3.8Å; L51-I74 HydrophobicContact CD1-CG2 4.33Å; L51-L77 HydrophobicContact CD1-CD2 4.35Å
52	G	78.4	Confident	75	Confident	14 Å²	14	53.5 Å²	53.5	14%	0.144	30%	0.298	C	S	.	.	H	α-helix	trans	-63.9	-45.6	174.5	0	0	0	0	0	112.3	A48 L54 A55 F56	A48-G52 PolarHBondContact O-N 3.34Å; G52-L54 VanDerWaalsContact C-N 3.33Å; G52-L54 PolarHBondContact O-N 2.9Å; G52-A55 WeakPolarHBondContact O-CB 3.22Å; G52-A55 PolarHBondContact O-N 3.36Å; G52-F56 WeakPolarHBondContact O-CD2 3.5Å; G52-F56 PolarHBondContact O-N 3.43Å; G52-F56 VanDerWaalsContact O-N 3.15Å
53	F	80.9	Confident	74.4	Confident	123 Å²	123	57.4 Å²	57.4	54%	0.539	32%	0.317	S	S	.	.	H	α-helix	trans	-60.9	-42.6	176.8	-176.8	-97.8	0	0	0	111.5	F49 I50 F56 T57	F49-F53 WeakPolarHBondContact O-CB 3.39Å; F49-F53 PolarHBondContact O-N 3.02Å; I50-F53 PolarHBondContact O-N 3.29Å; F53-F56 PolarHBondContact O-N 3.34Å; F53-T57 HydrophobicContact CD1-CG2 4.27Å; F53-T57 HydrophobicContact CD2-CG2 3.99Å; F53-T57 HydrophobicContact CE1-CG2 3.94Å; F53-T57 HydrophobicContact CE2-CG2 3.63Å; F53-T57 HydrophobicContact CG-CG2 4.3Å; F53-T57 HydrophobicContact CZ-CG2 3.62Å; F53-T57 WeakPolarHBondContact O-CB 3.23Å; F53-T57 WeakPolarHBondContact O-CG2 3.4Å; F53-T57 PolarHBondContact O-N 3.31Å; F53-T57 PolarHBondContact O-OG1 2.95Å
54	L	76.3	Confident	73.9	Confident	21 Å²	21	61.4 Å²	61.4	11%	0.11	33%	0.331	C	S	.	.	H	α-helix	trans	-68.6	-35.1	179.3	-152.7	144.2	0	0	0	111.8	F8 M15 I50 L51 G52 F56 Y58	F8-L54 HydrophobicContact CE2-CD2 3.88Å; F8-L54 HydrophobicContact CZ-CD2 4.42Å; M15-L54 HydrophobicContact CB-CD1 4.18Å; M15-L54 HydrophobicContact CE-CD1 3.88Å; M15-L54 HydrophobicContact CG-CD1 3.88Å; I50-L54 VanDerWaalsContact O-CB 3.28Å; I50-L54 WeakPolarHBondContact O-CB 3.49Å; I50-L54 PolarHBondContact O-N 3.18Å; L51-L54 PolarHBondContact O-N 3.24Å; G52-L54 VanDerWaalsContact C-N 3.33Å; G52-L54 PolarHBondContact O-N 2.9Å; L54-F56 PolarHBondContact O-N 2.93Å; L54-Y58 VanDerWaalsContact O-CB 3.24Å; L54-Y58 WeakPolarHBondContact O-CB 3.47Å; L54-Y58 PolarHBondContact O-N 2.93Å
55	A	73.3	Confident	73.4	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.008	34%	0.339	C	S	.	.	H	α-helix	trans	-62.1	-39	172.6	0	0	0	0	0	113.1	L51 G52 V65 R66 I74	L51-A55 WeakPolarHBondContact O-CB 3.42Å; L51-A55 PolarHBondContact O-N 2.9Å; G52-A55 WeakPolarHBondContact O-CB 3.22Å; G52-A55 PolarHBondContact O-N 3.36Å; A55-V65 HydrophobicContact CB-CG1 3.79Å; A55-R66 WeakPolarHBondContact O-CG 3.48Å; A55-R66 PolarHBondContact O-NE 3.38Å; A55-I74 HydrophobicContact CB-CD1 4.22Å
56	F	75.5	Confident	72.9	Confident	116 Å²	116	62.6 Å²	62.6	51%	0.509	33%	0.331	S	S	.	.	H	α-helix	trans	-85.9	-35.4	-178.1	-82.7	-75.9	0	0	0	114.5	G52 F53 L54 R66 L71	G52-F56 WeakPolarHBondContact O-CD2 3.5Å; G52-F56 PolarHBondContact O-N 3.43Å; G52-F56 VanDerWaalsContact O-N 3.15Å; F53-F56 PolarHBondContact O-N 3.34Å; L54-F56 PolarHBondContact O-N 2.93Å; F56-R66 PolarHBondContact O-NH2 3Å; F56-L71 HydrophobicContact CE2-CD1 4.14Å; F56-L71 HydrophobicContact CE2-CD2 3.81Å; F56-L71 HydrophobicContact CE2-CG 4.49Å; F56-L71 HydrophobicContact CZ-CD1 4.01Å; F56-L71 HydrophobicContact CZ-CD2 4.48Å
57	T	74.3	Confident	72.6	Confident	74 Å²	74	61 Å²	61	45%	0.454	32%	0.323	S	S	.	.	H	α-helix	trans	-92.7	-22.6	-172	56.6	0	0	0	0	114.4	F53 P59	F53-T57 HydrophobicContact CD1-CG2 4.27Å; F53-T57 HydrophobicContact CD2-CG2 3.99Å; F53-T57 HydrophobicContact CE1-CG2 3.94Å; F53-T57 HydrophobicContact CE2-CG2 3.63Å; F53-T57 HydrophobicContact CG-CG2 4.3Å; F53-T57 HydrophobicContact CZ-CG2 3.62Å; F53-T57 WeakPolarHBondContact O-CB 3.23Å; F53-T57 WeakPolarHBondContact O-CG2 3.4Å; F53-T57 PolarHBondContact O-N 3.31Å; F53-T57 PolarHBondContact O-OG1 2.95Å; T57-P59 WeakPolarHBondContact O-CD 3.36Å
58	Y	74.1	Confident	72.2	Confident	79 Å²	79	67.3 Å²	67.3	31%	0.31	35%	0.351	S	S	.	.			trans	-74.3	121.3	-176.9	-160.3	-99.4	0	0	0	111.9	F8 L54 G60 G61 R66	F8-Y58 AromaticContact CD2-CD1 3.36Å; F8-Y58 HydrophobicContact CD2-CD1 3.36Å; F8-Y58 AromaticContact CD2-CE1 3.87Å; F8-Y58 HydrophobicContact CD2-CE1 3.87Å; F8-Y58 AromaticContact CD2-CG 3.97Å; F8-Y58 HydrophobicContact CD2-CG 3.97Å; F8-Y58 AromaticContact CE2-CD1 3.68Å; F8-Y58 HydrophobicContact CE2-CD1 3.68Å; F8-Y58 AromaticContact CE2-CG 3.86Å; F8-Y58 HydrophobicContact CE2-CG 3.86Å; F8-Y58 HydrophobicContact CG-CD1 4.49Å; L54-Y58 VanDerWaalsContact O-CB 3.24Å; L54-Y58 WeakPolarHBondContact O-CB 3.47Å; L54-Y58 PolarHBondContact O-N 2.93Å; Y58-G60 PolarHBondContact O-N 3.22Å; Y58-G60 VanDerWaalsContact O-N 3.11Å; Y58-G61 PolarHBondContact O-N 2.87Å; Y58-R66 PolarHBondContact O-NH2 2.74Å
59	P	59.3	Low	71.6	Confident	128 Å²	128	69.3 Å²	69.3	83%	0.831	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.8	-173.2	-17.2	28.6	0	0	0	114.8	T57	T57-P59 WeakPolarHBondContact O-CD 3.36Å
60	G	60.7	Low	71.1	Confident	26 Å²	26	62.2 Å²	62.2	27%	0.268	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	17.3	179.8	0	0	0	0	0	115.2	Y58	Y58-G60 PolarHBondContact O-N 3.22Å; Y58-G60 VanDerWaalsContact O-N 3.11Å
61	G	60	Low	70.9	Confident	15 Å²	15	62.1 Å²	62.1	16%	0.155	33%	0.326	C	S	.	.			trans	-68.3	145.2	-178.2	0	0	0	0	0	113.4	Y58	Y58-G61 PolarHBondContact O-N 2.87Å
62	L	63.7	Low	70.7	Confident	58 Å²	58	63.1 Å²	63.1	30%	0.304	33%	0.33	S	S	.	.			trans	-60.5	127.9	174	-90.1	97.1	0	0	0	109.7	F8 P9 W64 V65	F8-L62 HydrophobicContact CD1-CD1 3.99Å; P9-L62 HydrophobicContact CG-CD1 4.09Å; L62-W64 PolarHBondContact O-N 3.26Å; L62-W64 VanDerWaalsContact O-N 3.09Å; L62-V65 HydrophobicContact CB-CG2 3.99Å; L62-V65 PolarHBondContact O-N 3.5Å
63	P	64.9	Low	70.6	Confident	113 Å²	113	63.4 Å²	63.4	73%	0.734	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-54.5	-33.1	-179.6	-26.4	33.3	0	0	0	113.6	V65 R66	P63-V65 VanDerWaalsContact C-N 3.32Å; P63-V65 PolarHBondContact O-N 3.13Å; P63-R66 PolarHBondContact O-N 3.2Å
64	W	66.3	Low	70.6	Confident	89 Å²	89	58.8 Å²	58.8	34%	0.337	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-56.4	-38.1	174.2	142.8	-97.4	0	0	0	113.4	L62 R66 S67 E69 W119	L62-W64 PolarHBondContact O-N 3.26Å; L62-W64 VanDerWaalsContact O-N 3.09Å; W64-R66 PolarHBondContact O-N 3.33Å; W64-S67 VanDerWaalsContact O-CB 3.22Å; W64-S67 WeakPolarHBondContact O-CB 3.25Å; W64-S67 PolarHBondContact O-N 2.97Å; W64-S67 PolarHBondContact O-OG 3.09Å; W64-E69 HydrophobicContact CH2-CB 3.45Å; W64-E69 VanDerWaalsContact CH2-CB 3.45Å; W64-E69 HydrophobicContact CZ3-CB 3.38Å; W64-E69 HydrophobicContact CZ3-CG 4.39Å; W64-E69 WeakPolarHBondContact CZ3-OE2 3.44Å; W64-W119 AromaticContact CH2-CD1 3.32Å; W64-W119 AromaticContact CH2-CE2 3.79Å; W64-W119 HydrophobicContact CH2-CZ2 4.4Å; W64-W119 AromaticContact CH2-NE1 2.77Å; W64-W119 AromaticContact CZ2-CD1 3.59Å; W64-W119 AromaticContact CZ2-CE2 3.86Å; W64-W119 HydrophobicContact CZ2-CG 4.5Å; W64-W119 HydrophobicContact CZ2-CZ2 4.42Å; W64-W119 AromaticContact CZ2-NE1 3.17Å; W64-W119 AromaticContact CZ3-NE1 3.48Å
65	V	67.3	Low	70.7	Confident	28 Å²	28	59.7 Å²	59.7	17%	0.17	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-70.7	-24.9	-176.1	-178.7	0	0	0	0	111.7	F8 A55 L62 P63 S67 I74	F8-V65 HydrophobicContact CE1-CG2 4.28Å; A55-V65 HydrophobicContact CB-CG1 3.79Å; L62-V65 HydrophobicContact CB-CG2 3.99Å; L62-V65 PolarHBondContact O-N 3.5Å; P63-V65 VanDerWaalsContact C-N 3.32Å; P63-V65 PolarHBondContact O-N 3.13Å; V65-S67 VanDerWaalsContact C-N 3.33Å; V65-I74 HydrophobicContact CG1-CD1 4Å
66	R	70.3	Confident	71.1	Confident	101 Å²	101	61.6 Å²	61.6	38%	0.381	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-84.4	-7.4	174.4	-62.9	-179	-179.3	-180	0.5	113.4	A55 F56 Y58 P63 W64	A55-R66 WeakPolarHBondContact O-CG 3.48Å; A55-R66 PolarHBondContact O-NE 3.38Å; F56-R66 PolarHBondContact O-NH2 3Å; Y58-R66 PolarHBondContact O-NH2 2.74Å; P63-R66 PolarHBondContact O-N 3.2Å; W64-R66 PolarHBondContact O-N 3.33Å
67	S	74.1	Confident	71.4	Confident	39 Å²	39	56.9 Å²	56.9	27%	0.273	31%	0.311	S	S	.	.	S	Bend	trans	-71.3	163.4	174.7	78.2	0	0	0	0	110.9	W64 V65 E69 G70 L71	W64-S67 VanDerWaalsContact O-CB 3.22Å; W64-S67 WeakPolarHBondContact O-CB 3.25Å; W64-S67 PolarHBondContact O-N 2.97Å; W64-S67 PolarHBondContact O-OG 3.09Å; V65-S67 VanDerWaalsContact C-N 3.33Å; S67-E69 PolarHBondContact O-N 3.3Å; S67-E69 PolarHBondContact OG-N 3.29Å; S67-G70 PolarHBondContact O-N 3.45Å; S67-G70 VanDerWaalsContact O-N 3.1Å; S67-G70 PolarHBondContact OG-N 3.33Å; S67-L71 PolarHBondContact O-N 3.35Å; S67-L71 VanDerWaalsContact O-N 3.07Å
68	F	72.1	Confident	71.6	Confident	140 Å²	140	53.4 Å²	53.4	61%	0.614	29%	0.289	S	S	*	.	H	α-helix	trans	-54.9	-40.8	174.6	-174.6	-107.2	0	0	0	112	G70 L71 Q72	F68-G70 PolarHBondContact O-N 3.34Å; F68-L71 PolarHBondContact O-N 2.73Å; F68-Q72 HydrophobicContact CE1-CG 4.35Å; F68-Q72 VanDerWaalsContact O-CG 3.3Å; F68-Q72 WeakPolarHBondContact O-CG 3.46Å; F68-Q72 PolarHBondContact O-N 2.69Å
69	E	68.7	Low	72	Confident	61 Å²	61	52.2 Å²	52.2	29%	0.285	29%	0.286	S	S	.	.	H	α-helix	trans	-68.4	-33	178.5	-60.6	-176.7	179.4	0	0	112.5	W64 S67 S73	W64-E69 HydrophobicContact CH2-CB 3.45Å; W64-E69 VanDerWaalsContact CH2-CB 3.45Å; W64-E69 HydrophobicContact CZ3-CB 3.38Å; W64-E69 HydrophobicContact CZ3-CG 4.39Å; W64-E69 WeakPolarHBondContact CZ3-OE2 3.44Å; S67-E69 PolarHBondContact O-N 3.3Å; S67-E69 PolarHBondContact OG-N 3.29Å; E69-S73 PolarHBondContact O-N 3.49Å; E69-S73 VanDerWaalsContact O-N 3.09Å; E69-S73 PolarHBondContact O-OG 2.82Å
70	G	71.7	Confident	72.9	Confident	2 Å²	2	49.7 Å²	49.7	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-67.5	-43.8	174.3	0	0	0	0	0	112.6	S67 F68 Q72 S73 I74	S67-G70 PolarHBondContact O-N 3.45Å; S67-G70 VanDerWaalsContact O-N 3.1Å; S67-G70 PolarHBondContact OG-N 3.33Å; F68-G70 PolarHBondContact O-N 3.34Å; G70-Q72 VanDerWaalsContact C-N 3.35Å; G70-Q72 PolarHBondContact O-N 3.15Å; G70-S73 WeakPolarHBondContact O-CB 3.31Å; G70-S73 PolarHBondContact O-N 2.79Å; G70-I74 WeakPolarHBondContact O-CG1 3.3Å; G70-I74 PolarHBondContact O-N 3.09Å; G70-I74 VanDerWaalsContact O-N 3.09Å
71	L	76.7	Confident	73.5	Confident	63 Å²	63	49.6 Å²	49.6	33%	0.33	26%	0.255	S	S	.	.	H	α-helix	trans	-65.6	-36.8	175.7	-73.8	164.7	0	0	0	112.5	F56 S67 F68 S73 I74 A75	F56-L71 HydrophobicContact CE2-CD1 4.14Å; F56-L71 HydrophobicContact CE2-CD2 3.81Å; F56-L71 HydrophobicContact CE2-CG 4.49Å; F56-L71 HydrophobicContact CZ-CD1 4.01Å; F56-L71 HydrophobicContact CZ-CD2 4.48Å; S67-L71 PolarHBondContact O-N 3.35Å; S67-L71 VanDerWaalsContact O-N 3.07Å; F68-L71 PolarHBondContact O-N 2.73Å; L71-S73 VanDerWaalsContact C-N 3.35Å; L71-I74 PolarHBondContact O-N 2.9Å; L71-A75 WeakPolarHBondContact O-CB 3.31Å; L71-A75 PolarHBondContact O-N 3.02Å
72	Q	75.8	Confident	74.2	Confident	35 Å²	35	48.9 Å²	48.9	16%	0.164	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-41.2	173.1	-74.2	178.6	-37.7	0	0	112.2	F68 G70 I74 A75 I76	F68-Q72 HydrophobicContact CE1-CG 4.35Å; F68-Q72 VanDerWaalsContact O-CG 3.3Å; F68-Q72 WeakPolarHBondContact O-CG 3.46Å; F68-Q72 PolarHBondContact O-N 2.69Å; G70-Q72 VanDerWaalsContact C-N 3.35Å; G70-Q72 PolarHBondContact O-N 3.15Å; Q72-I74 VanDerWaalsContact C-N 3.33Å; Q72-I74 PolarHBondContact O-N 3.12Å; Q72-A75 PolarHBondContact O-N 2.82Å; Q72-I76 VanDerWaalsContact O-CG1 3.28Å; Q72-I76 WeakPolarHBondContact O-CG1 3.33Å; Q72-I76 PolarHBondContact O-N 3.09Å
73	S	77.6	Confident	74.9	Confident	19 Å²	19	49.1 Å²	49.1	13%	0.133	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-40.2	176.8	-55.8	0	0	0	0	111.4	E69 G70 L71 I76 L77 T115	E69-S73 PolarHBondContact O-N 3.49Å; E69-S73 VanDerWaalsContact O-N 3.09Å; E69-S73 PolarHBondContact O-OG 2.82Å; G70-S73 WeakPolarHBondContact O-CB 3.31Å; G70-S73 PolarHBondContact O-N 2.79Å; L71-S73 VanDerWaalsContact C-N 3.35Å; S73-I76 PolarHBondContact O-N 2.61Å; S73-L77 WeakPolarHBondContact O-CB 3.31Å; S73-L77 PolarHBondContact O-N 2.71Å; S73-T115 VanDerWaalsContact O-CG2 3.22Å; S73-T115 WeakPolarHBondContact O-CG2 3.46Å
74	I	79.7	Confident	75.4	Confident	26 Å²	26	48.6 Å²	48.6	13%	0.133	24%	0.236	C	C	.	.	H	α-helix	trans	-64.4	-43.5	173.7	-65.6	167.9	0	0	0	110.8	L51 A55 V65 G70 L71 Q72 I76 L77 C78	L51-I74 HydrophobicContact CB-CG2 3.8Å; L51-I74 HydrophobicContact CD1-CG2 4.33Å; A55-I74 HydrophobicContact CB-CD1 4.22Å; V65-I74 HydrophobicContact CG1-CD1 4Å; G70-I74 WeakPolarHBondContact O-CG1 3.3Å; G70-I74 PolarHBondContact O-N 3.09Å; G70-I74 VanDerWaalsContact O-N 3.09Å; L71-I74 PolarHBondContact O-N 2.9Å; Q72-I74 VanDerWaalsContact C-N 3.33Å; Q72-I74 PolarHBondContact O-N 3.12Å; I74-I76 PolarHBondContact O-N 2.91Å; I74-L77 PolarHBondContact O-N 2.95Å; I74-C78 WeakPolarHBondContact O-CB 3.25Å; I74-C78 PolarHBondContact O-N 2.82Å; I74-C78 PolarHBondContact O-SG 3.2Å
75	A	79.5	Confident	75.6	Confident	40 Å²	40	44.4 Å²	44.4	33%	0.331	22%	0.22	S	C	.	.	H	α-helix	trans	-61.8	-43.7	177.6	0	0	0	0	0	112.1	L71 Q72 C78 F79	L71-A75 WeakPolarHBondContact O-CB 3.31Å; L71-A75 PolarHBondContact O-N 3.02Å; Q72-A75 PolarHBondContact O-N 2.82Å; A75-C78 PolarHBondContact O-N 2.86Å; A75-F79 HydrophobicContact CB-CD2 4.34Å; A75-F79 WeakPolarHBondContact O-CB 3.48Å; A75-F79 VanDerWaalsContact O-CD2 3.24Å; A75-F79 WeakPolarHBondContact O-CD2 3.38Å; A75-F79 PolarHBondContact O-N 2.85Å
76	I	80.6	Confident	75.9	Confident	42 Å²	42	44.2 Å²	44.2	22%	0.215	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-45.8	176.6	-67.8	165.2	0	0	0	110.4	Q72 S73 I74 C78 H80	Q72-I76 VanDerWaalsContact O-CG1 3.28Å; Q72-I76 WeakPolarHBondContact O-CG1 3.33Å; Q72-I76 PolarHBondContact O-N 3.09Å; S73-I76 PolarHBondContact O-N 2.61Å; I74-I76 PolarHBondContact O-N 2.91Å; I76-C78 VanDerWaalsContact C-N 3.27Å; I76-C78 PolarHBondContact O-N 3.35Å; I76-H80 WeakPolarHBondContact O-CB 3.47Å; I76-H80 PolarHBondContact O-N 3.36Å
77	L	81.4	Confident	75.9	Confident	17 Å²	17	43.7 Å²	43.7	9%	0.089	23%	0.226	C	C	.	.	H	α-helix	trans	-59.5	-36.6	178.2	-175	65.5	0	0	0	112.8	R47 L51 S73 I74 Y112 T115	R47-L77 PolarHBondContact NH1-O 3.06Å; L51-L77 HydrophobicContact CD1-CD2 4.35Å; S73-L77 WeakPolarHBondContact O-CB 3.31Å; S73-L77 PolarHBondContact O-N 2.71Å; I74-L77 PolarHBondContact O-N 2.95Å; L77-Y112 HydrophobicContact CD1-CD1 4.04Å; L77-Y112 HydrophobicContact CD1-CD2 4.43Å; L77-Y112 HydrophobicContact CD1-CE1 4.16Å; L77-Y112 HydrophobicContact CD1-CE2 4.49Å; L77-Y112 HydrophobicContact CD1-CG 4.18Å; L77-Y112 HydrophobicContact CD2-CD1 4.44Å; L77-Y112 HydrophobicContact CD2-CE1 3.84Å; L77-T115 WeakPolarHBondContact CA-OG1 3.49Å; L77-T115 HydrophobicContact CB-CG2 4.15Å; L77-T115 WeakPolarHBondContact CB-OG1 3.22Å; L77-T115 WeakPolarHBondContact CD1-OG1 3.41Å
78	C	79.6	Confident	75.5	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-84.2	-40.3	-177.7	-64	0	0	0	0	113.5	A44 A48 I74 A75 I76 P82	A44-C78 WeakPolarHBondContact CB-O 3.23Å; A48-C78 VanDerWaalsContact CA-SG 3.55Å; A48-C78 HydrophobicContact CB-CB 3.91Å; I74-C78 WeakPolarHBondContact O-CB 3.25Å; I74-C78 PolarHBondContact O-N 2.82Å; I74-C78 PolarHBondContact O-SG 3.2Å; A75-C78 PolarHBondContact O-N 2.86Å; I76-C78 VanDerWaalsContact C-N 3.27Å; I76-C78 PolarHBondContact O-N 3.35Å; C78-P82 WeakPolarHBondContact O-CD 3.31Å
79	F	81.4	Confident	75.3	Confident	54 Å²	54	43.4 Å²	43.4	24%	0.237	22%	0.215	C	C	.	.	H	α-helix	trans	-102.7	-14.6	-169.2	-64.5	-68.9	0	0	0	115	W41 A44 L45 A48 A75 F81 P82 V83	W41-F79 HydrophobicContact CE3-CD1 4.21Å; W41-F79 HydrophobicContact CE3-CE1 4.44Å; W41-F79 AromaticContact CZ3-CD1 3.89Å; W41-F79 HydrophobicContact CZ3-CD1 3.89Å; W41-F79 HydrophobicContact CZ3-CE1 4.41Å; A44-F79 HydrophobicContact CB-CD1 3.85Å; A44-F79 HydrophobicContact CB-CE1 3.87Å; L45-F79 HydrophobicContact CD2-CE1 4.21Å; L45-F79 HydrophobicContact CD2-CZ 3.93Å; L45-F79 HydrophobicContact CG-CE1 4.12Å; L45-F79 HydrophobicContact CG-CZ 4.28Å; A48-F79 HydrophobicContact CB-CE2 3.88Å; A48-F79 HydrophobicContact CB-CZ 3.94Å; A75-F79 HydrophobicContact CB-CD2 4.34Å; A75-F79 WeakPolarHBondContact O-CB 3.48Å; A75-F79 VanDerWaalsContact O-CD2 3.24Å; A75-F79 WeakPolarHBondContact O-CD2 3.38Å; A75-F79 PolarHBondContact O-N 2.85Å; F79-F81 VanDerWaalsContact C-N 3.32Å; F79-F81 PolarHBondContact O-N 3.43Å; F79-P82 WeakPolarHBondContact O-CD 3.47Å; F79-V83 WeakPolarHBondContact O-CB 3.48Å; F79-V83 WeakPolarHBondContact O-CG2 3.43Å; F79-V83 PolarHBondContact O-N 2.93Å
80	H	79.2	Confident	75.4	Confident	76 Å²	76	48 Å²	48	35%	0.352	24%	0.237	S	C	.	.	H	α-helix	trans	-56.6	-44	-179.7	174.4	-91.2	0	0	0	112.7	I76 Y84	I76-H80 WeakPolarHBondContact O-CB 3.47Å; I76-H80 PolarHBondContact O-N 3.36Å; H80-Y84 WeakPolarHBondContact O-CB 3.21Å; H80-Y84 PolarHBondContact O-N 2.83Å
81	F	73.3	Confident	75.1	Confident	23 Å²	23	50.8 Å²	50.8	10%	0.101	25%	0.251	C	S	.	.	H	α-helix	trans	-70.3	-47.1	-178	-174	-92.9	0	0	0	113.4	L40 F79 V83 Y84 I85 W102	L40-F81 HydrophobicContact CD1-CD1 4.18Å; L40-F81 HydrophobicContact CD1-CE1 4.14Å; F79-F81 VanDerWaalsContact C-N 3.32Å; F79-F81 PolarHBondContact O-N 3.43Å; F81-V83 VanDerWaalsContact C-N 3.31Å; F81-V83 PolarHBondContact O-N 3.13Å; F81-Y84 PolarHBondContact O-N 3.16Å; F81-I85 HydrophobicContact CD1-CG1 4.26Å; F81-I85 HydrophobicContact CE1-CD1 4.39Å; F81-I85 HydrophobicContact CE1-CG1 3.76Å; F81-I85 HydrophobicContact CE2-CD1 4.36Å; F81-I85 HydrophobicContact CE2-CG1 4.27Å; F81-I85 HydrophobicContact CZ-CD1 3.92Å; F81-I85 HydrophobicContact CZ-CG1 3.76Å; F81-I85 WeakPolarHBondContact O-CG1 3.35Å; F81-I85 PolarHBondContact O-N 3.26Å; F81-W102 HydrophobicContact CD1-CB 3.99Å; F81-W102 AromaticContact CD1-CD1 3.29Å; F81-W102 AromaticContact CD1-CD2 3.82Å; F81-W102 HydrophobicContact CD1-CD2 3.82Å; F81-W102 AromaticContact CD1-CE2 3.94Å; F81-W102 AromaticContact CD1-CG 3.43Å; F81-W102 HydrophobicContact CD1-CG 3.43Å; F81-W102 VanDerWaalsContact CD1-CG 3.43Å; F81-W102 AromaticContact CD1-NE1 3.61Å; F81-W102 HydrophobicContact CE1-CB 3.48Å; F81-W102 VanDerWaalsContact CE1-CB 3.48Å; F81-W102 AromaticContact CE1-CD1 3.68Å; F81-W102 HydrophobicContact CE1-CD2 4.17Å; F81-W102 AromaticContact CE1-CG 3.48Å; F81-W102 HydrophobicContact CE1-CG 3.48Å; F81-W102 VanDerWaalsContact CE1-CG 3.48Å; F81-W102 AromaticContact CG-CD1 3.63Å; F81-W102 HydrophobicContact CG-CG 4.23Å; F81-W102 AromaticContact CG-NE1 3.81Å; F81-W102 HydrophobicContact CZ-CB 4.04Å; F81-W102 HydrophobicContact CZ-CG 4.31Å
82	P	75.1	Confident	74.2	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-55.8	-41	170.5	-25	28.4	0	0	0	114.3	L40 W41 A44 C78 F79 A86	L40-P82 HydrophobicContact CD2-CB 4.34Å; L40-P82 HydrophobicContact CG-CB 4.15Å; L40-P82 HydrophobicContact CG-CG 4.36Å; W41-P82 HydrophobicContact CD2-CB 4.1Å; W41-P82 HydrophobicContact CE3-CB 4.4Å; W41-P82 HydrophobicContact CH2-CB 4.49Å; W41-P82 HydrophobicContact CZ2-CB 4.18Å; A44-P82 HydrophobicContact CB-CB 4.5Å; A44-P82 HydrophobicContact CB-CG 3.47Å; A44-P82 VanDerWaalsContact CB-CG 3.47Å; C78-P82 WeakPolarHBondContact O-CD 3.31Å; F79-P82 WeakPolarHBondContact O-CD 3.47Å; P82-A86 VanDerWaalsContact O-CB 3.27Å; P82-A86 WeakPolarHBondContact O-CB 3.27Å; P82-A86 PolarHBondContact O-N 3.47Å
83	V	77.6	Confident	73.4	Confident	63 Å²	63	51.9 Å²	51.9	38%	0.382	27%	0.273	S	S	.	.	H	α-helix	trans	-65.6	-44.4	177.4	170.8	0	0	0	0	110.7	W41 F79 F81 I85 A86 L87	W41-V83 HydrophobicContact CH2-CG2 3.72Å; W41-V83 HydrophobicContact CZ2-CG2 4.2Å; F79-V83 WeakPolarHBondContact O-CB 3.48Å; F79-V83 WeakPolarHBondContact O-CG2 3.43Å; F79-V83 PolarHBondContact O-N 2.93Å; F81-V83 VanDerWaalsContact C-N 3.31Å; F81-V83 PolarHBondContact O-N 3.13Å; V83-I85 PolarHBondContact O-N 2.92Å; V83-A86 PolarHBondContact O-N 3.37Å; V83-L87 HydrophobicContact CG1-CD1 3.96Å; V83-L87 WeakPolarHBondContact O-CB 3.23Å; V83-L87 VanDerWaalsContact O-CG 3.31Å; V83-L87 WeakPolarHBondContact O-CG 3.32Å; V83-L87 PolarHBondContact O-N 3.35Å
84	Y	75.3	Confident	72.2	Confident	103 Å²	103	56.6 Å²	56.6	40%	0.404	31%	0.306	S	S	.	.	H	α-helix	trans	-58.9	-47.2	176.6	176.5	-104.9	0	0	0	112.4	H80 F81 L87 L88	H80-Y84 WeakPolarHBondContact O-CB 3.21Å; H80-Y84 PolarHBondContact O-N 2.83Å; F81-Y84 PolarHBondContact O-N 3.16Å; Y84-L87 PolarHBondContact O-N 3.29Å; Y84-L88 HydrophobicContact CD1-CD1 3.85Å; Y84-L88 HydrophobicContact CE1-CD1 3.28Å; Y84-L88 HydrophobicContact CE1-CG 4.25Å; Y84-L88 HydrophobicContact CE2-CD1 4.2Å; Y84-L88 HydrophobicContact CE2-CG 4.39Å; Y84-L88 VanDerWaalsContact CZ-CD1 3.48Å; Y84-L88 WeakPolarHBondContact O-CG 3.49Å; Y84-L88 PolarHBondContact O-N 3.38Å
85	I	70.6	Confident	71.2	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-69	-37.3	179	-64.9	-66.4	0	0	0	111.9	L40 F81 V83 L87 L88 W89 E98 L99	L40-I85 HydrophobicContact CD2-CB 3.94Å; L40-I85 HydrophobicContact CD2-CG2 3.79Å; F81-I85 HydrophobicContact CD1-CG1 4.26Å; F81-I85 HydrophobicContact CE1-CD1 4.39Å; F81-I85 HydrophobicContact CE1-CG1 3.76Å; F81-I85 HydrophobicContact CE2-CD1 4.36Å; F81-I85 HydrophobicContact CE2-CG1 4.27Å; F81-I85 HydrophobicContact CZ-CD1 3.92Å; F81-I85 HydrophobicContact CZ-CG1 3.76Å; F81-I85 WeakPolarHBondContact O-CG1 3.35Å; F81-I85 PolarHBondContact O-N 3.26Å; V83-I85 PolarHBondContact O-N 2.92Å; I85-L87 VanDerWaalsContact C-N 3.32Å; I85-L87 PolarHBondContact O-N 2.97Å; I85-L88 HydrophobicContact CD1-CD1 4.34Å; I85-L88 PolarHBondContact O-N 3.23Å; I85-W89 WeakPolarHBondContact O-CB 3.36Å; I85-W89 PolarHBondContact O-N 2.99Å; I85-E98 HydrophobicContact CD1-CB 4.04Å; I85-L99 HydrophobicContact CG2-CD1 3.58Å; I85-L99 HydrophobicContact CG2-CG 4.29Å
86	A	73.6	Confident	70.1	Confident	24 Å²	24	58.8 Å²	58.8	20%	0.198	32%	0.317	C	S	.	.	H	α-helix	trans	-61.7	-41.1	174.2	0	0	0	0	0	111.9	F37 P82 V83 W89 Q90	F37-A86 HydrophobicContact CE1-CB 3.88Å; P82-A86 VanDerWaalsContact O-CB 3.27Å; P82-A86 WeakPolarHBondContact O-CB 3.27Å; P82-A86 PolarHBondContact O-N 3.47Å; V83-A86 PolarHBondContact O-N 3.37Å; A86-W89 PolarHBondContact O-N 3.29Å; A86-Q90 PolarHBondContact O-N 3.27Å
87	L	69.6	Low	68.9	Low	90 Å²	90	65.2 Å²	65.2	47%	0.471	35%	0.346	S	S	.	.	H	α-helix	trans	-66.5	-42.6	175.2	-73.8	167	0	0	0	112	V83 Y84 I85 W89 Q90 L91	V83-L87 HydrophobicContact CG1-CD1 3.96Å; V83-L87 WeakPolarHBondContact O-CB 3.23Å; V83-L87 VanDerWaalsContact O-CG 3.31Å; V83-L87 WeakPolarHBondContact O-CG 3.32Å; V83-L87 PolarHBondContact O-N 3.35Å; Y84-L87 PolarHBondContact O-N 3.29Å; I85-L87 VanDerWaalsContact C-N 3.32Å; I85-L87 PolarHBondContact O-N 2.97Å; L87-W89 VanDerWaalsContact C-N 3.33Å; L87-W89 PolarHBondContact O-N 3.01Å; L87-Q90 PolarHBondContact O-N 2.96Å; L87-L91 WeakPolarHBondContact O-CB 3.46Å; L87-L91 WeakPolarHBondContact O-CD1 3.36Å; L87-L91 VanDerWaalsContact O-CG 3.29Å; L87-L91 WeakPolarHBondContact O-CG 3.29Å; L87-L91 PolarHBondContact O-N 3.19Å
88	L	67	Low	67.6	Low	14 Å²	14	67.5 Å²	67.5	7%	0.073	36%	0.356	C	S	.	.	H	α-helix	trans	-63.4	-37.5	176.8	-75.8	177.2	0	0	0	113	Y84 I85 L91 G92 Q93 T95 E98	Y84-L88 HydrophobicContact CD1-CD1 3.85Å; Y84-L88 HydrophobicContact CE1-CD1 3.28Å; Y84-L88 HydrophobicContact CE1-CG 4.25Å; Y84-L88 HydrophobicContact CE2-CD1 4.2Å; Y84-L88 HydrophobicContact CE2-CG 4.39Å; Y84-L88 VanDerWaalsContact CZ-CD1 3.48Å; Y84-L88 WeakPolarHBondContact O-CG 3.49Å; Y84-L88 PolarHBondContact O-N 3.38Å; I85-L88 HydrophobicContact CD1-CD1 4.34Å; I85-L88 PolarHBondContact O-N 3.23Å; L88-L91 CarbonylContact O-C 3.57Å; L88-L91 PolarHBondContact O-N 3.35Å; L88-G92 PolarHBondContact O-N 3.06Å; L88-Q93 PolarHBondContact O-N 2.91Å; L88-T95 HydrophobicContact CB-CG2 3.89Å; L88-E98 WeakPolarHBondContact CD1-OE2 3.49Å
89	W	67.8	Low	66.6	Low	158 Å²	158	68.1 Å²	68.1	60%	0.598	36%	0.359	S	S	*	.	H	α-helix	trans	-66.3	-42.5	174.2	-177.8	73.9	0	0	0	111.8	F37 I85 A86 L87 L91 G92 T95	F37-W89 HydrophobicContact CE2-CB 4.03Å; F37-W89 AromaticContact CE2-CD1 3.94Å; F37-W89 AromaticContact CE2-CD2 3.8Å; F37-W89 HydrophobicContact CE2-CD2 3.8Å; F37-W89 HydrophobicContact CE2-CE3 4.33Å; F37-W89 AromaticContact CE2-CG 3.64Å; F37-W89 HydrophobicContact CE2-CG 3.64Å; F37-W89 HydrophobicContact CZ-CB 3.63Å; F37-W89 AromaticContact CZ-CD2 3.89Å; F37-W89 HydrophobicContact CZ-CD2 3.89Å; F37-W89 HydrophobicContact CZ-CE3 4.1Å; F37-W89 AromaticContact CZ-CG 3.69Å; F37-W89 HydrophobicContact CZ-CG 3.69Å; I85-W89 WeakPolarHBondContact O-CB 3.36Å; I85-W89 PolarHBondContact O-N 2.99Å; A86-W89 PolarHBondContact O-N 3.29Å; L87-W89 VanDerWaalsContact C-N 3.33Å; L87-W89 PolarHBondContact O-N 3.01Å; W89-L91 PolarHBondContact O-N 2.93Å; W89-G92 PolarHBondContact O-N 3.41Å; W89-T95 HydrophobicContact CB-CG2 4.43Å
90	Q	69.6	Low	65.4	Low	158 Å²	158	70 Å²	70	74%	0.738	37%	0.365	S	S	*	.	H	α-helix	trans	-65.1	-23.7	174.6	-165.7	167.9	4.4	0	0	112.7	A86 L87 G92	A86-Q90 PolarHBondContact O-N 3.27Å; L87-Q90 PolarHBondContact O-N 2.96Å; Q90-G92 VanDerWaalsContact C-N 3.3Å
91	L	67.1	Low	64.4	Low	60 Å²	60	67.4 Å²	67.4	31%	0.314	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	4.4	173.3	-73.2	161.6	0	0	0	113.8	L87 L88 W89 W302 K303	L87-L91 WeakPolarHBondContact O-CB 3.46Å; L87-L91 WeakPolarHBondContact O-CD1 3.36Å; L87-L91 VanDerWaalsContact O-CG 3.29Å; L87-L91 WeakPolarHBondContact O-CG 3.29Å; L87-L91 PolarHBondContact O-N 3.19Å; L88-L91 CarbonylContact O-C 3.57Å; L88-L91 PolarHBondContact O-N 3.35Å; W89-L91 PolarHBondContact O-N 2.93Å; L91-W302 HydrophobicContact CD2-CH2 4.35Å; L91-W302 HydrophobicContact CD2-CZ2 4.49Å; L91-K303 HydrophobicContact CD2-CD 4.12Å
92	G	55.9	Low	63.9	Low	71 Å²	71	66.8 Å²	66.8	73%	0.732	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	17.5	171.3	0	0	0	0	0	115.6	L88 W89 Q90	L88-G92 PolarHBondContact O-N 3.06Å; W89-G92 PolarHBondContact O-N 3.41Å; Q90-G92 VanDerWaalsContact C-N 3.3Å
93	Q	60	Low	63.3	Low	50 Å²	50	67.6 Å²	67.6	23%	0.234	36%	0.359	C	S	.	.			trans	-84.8	148.6	177.3	-61	-166.2	12.5	0	0	112	L88 T95	L88-Q93 PolarHBondContact O-N 2.91Å; Q93-T95 PolarHBondContact O-N 2.84Å
94	S	52.9	Low	63	Low	118 Å²	118	66.5 Å²	66.5	83%	0.825	36%	0.355	S	S	*	.			trans	-72	93.3	174.7	61.1	0	0	0	0	110.5	V96	S94-V96 VanDerWaalsContact C-N 3.33Å; S94-V96 PolarHBondContact O-N 3.39Å
95	T	58.8	Low	62.6	Low	9 Å²	9	69.1 Å²	69.1	6%	0.055	36%	0.364	C	S	.	.			trans	-87.5	5.6	-173.4	50.9	0	0	0	0	114.2	L88 W89 Q93 E97 E98 L99	L88-T95 HydrophobicContact CB-CG2 3.89Å; W89-T95 HydrophobicContact CB-CG2 4.43Å; Q93-T95 PolarHBondContact O-N 2.84Å; T95-E97 PolarHBondContact O-N 2.72Å; T95-E98 PolarHBondContact O-N 3.15Å; T95-L99 WeakPolarHBondContact O-CB 3.33Å; T95-L99 PolarHBondContact O-N 3.29Å
96	V	55.8	Low	62.5	Low	103 Å²	103	76.6 Å²	76.6	62%	0.624	40%	0.399	S	S	*	.	H	α-helix	trans	-61.7	-46.7	-171	-176.5	0	0	0	0	111.3	S94 L99 W100	S94-V96 VanDerWaalsContact C-N 3.33Å; S94-V96 PolarHBondContact O-N 3.39Å; V96-L99 PolarHBondContact O-N 2.78Å; V96-W100 PolarHBondContact O-NE1 2.94Å
97	E	54.6	Low	62.4	Low	178 Å²	178	78 Å²	78	83%	0.832	40%	0.399	S	S	*	.	H	α-helix	trans	-70.2	-33.7	177.6	-72	-178.3	161.5	0	0	113.2	T95	T95-E97 PolarHBondContact O-N 2.72Å
98	E	55.3	Low	62.4	Low	65 Å²	65	74.4 Å²	74.4	30%	0.304	38%	0.38	S	S	.	.	H	α-helix	trans	-74.1	-27.7	177.5	-72.2	-167.7	148.9	0	0	113.2	I85 L88 T95 W100 G101 R107	I85-E98 HydrophobicContact CD1-CB 4.04Å; L88-E98 WeakPolarHBondContact CD1-OE2 3.49Å; T95-E98 PolarHBondContact O-N 3.15Å; E98-W100 PolarHBondContact O-N 3.12Å; E98-G101 PolarHBondContact O-N 3.08Å; E98-R107 PolarHBondContact O-NH1 3.34Å
99	L	58.3	Low	62.6	Low	12 Å²	12	78.3 Å²	78.3	6%	0.063	40%	0.401	C	S	.	.	H	α-helix	trans	-61.7	-33.1	177.7	-128.5	105.8	0	0	0	112.3	P36 I85 T95 V96	P36-L99 HydrophobicContact CB-CD2 3.22Å; P36-L99 HydrophobicContact CG-CD2 4.48Å; I85-L99 HydrophobicContact CG2-CD1 3.58Å; I85-L99 HydrophobicContact CG2-CG 4.29Å; T95-L99 WeakPolarHBondContact O-CB 3.33Å; T95-L99 PolarHBondContact O-N 3.29Å; V96-L99 PolarHBondContact O-N 2.78Å
100	W	56.8	Low	62.9	Low	94 Å²	94	76 Å²	76	36%	0.356	40%	0.397	S	S	.	.	H	α-helix	trans	-89.9	-11.8	-175.6	-58.9	112.2	0	0	0	113.9	Q27 L33 V96 E98 H103	Q27-W100 HydrophobicContact CB-CZ3 3.94Å; Q27-W100 HydrophobicContact CG-CZ3 4Å; L33-W100 HydrophobicContact CD2-CH2 3.67Å; L33-W100 HydrophobicContact CD2-CZ2 3.91Å; L33-W100 HydrophobicContact CG-CH2 4.3Å; V96-W100 PolarHBondContact O-NE1 2.94Å; E98-W100 PolarHBondContact O-N 3.12Å; W100-H103 PolarHBondContact O-CE1 3.13Å; W100-H103 PolarHBondContact O-ND1 2.91Å
101	G	57.4	Low	63	Low	21 Å²	21	69.1 Å²	69.1	22%	0.216	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-84.2	-2.4	-176	0	0	0	0	0	115.9	E98 H103 S104 R107	E98-G101 PolarHBondContact O-N 3.08Å; G101-H103 PolarHBondContact O-N 3Å; G101-S104 PolarHBondContact O-N 3.22Å; G101-S104 PolarHBondContact O-OG 3.2Å; G101-R107 VanDerWaalsContact C-NH1 3.28Å; G101-R107 VanDerWaalsContact CA-NH1 3.3Å; G101-R107 WeakPolarHBondContact O-CD 3.47Å
102	W	62.5	Low	63.5	Low	10 Å²	10	69.5 Å²	69.5	4%	0.038	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-55.1	-23.5	-175.7	-169.3	17.8	0	0	0	114.6	I23 L40 A44 F81	I23-W102 HydrophobicContact CG2-CZ3 4.37Å; L40-W102 HydrophobicContact CD1-CD2 4.32Å; L40-W102 HydrophobicContact CD1-CE3 3.76Å; L40-W102 HydrophobicContact CD1-CZ3 4.06Å; A44-W102 HydrophobicContact CB-CH2 4Å; F81-W102 HydrophobicContact CD1-CB 3.99Å; F81-W102 AromaticContact CD1-CD1 3.29Å; F81-W102 AromaticContact CD1-CD2 3.82Å; F81-W102 HydrophobicContact CD1-CD2 3.82Å; F81-W102 AromaticContact CD1-CE2 3.94Å; F81-W102 AromaticContact CD1-CG 3.43Å; F81-W102 HydrophobicContact CD1-CG 3.43Å; F81-W102 VanDerWaalsContact CD1-CG 3.43Å; F81-W102 AromaticContact CD1-NE1 3.61Å; F81-W102 HydrophobicContact CE1-CB 3.48Å; F81-W102 VanDerWaalsContact CE1-CB 3.48Å; F81-W102 AromaticContact CE1-CD1 3.68Å; F81-W102 HydrophobicContact CE1-CD2 4.17Å; F81-W102 AromaticContact CE1-CG 3.48Å; F81-W102 HydrophobicContact CE1-CG 3.48Å; F81-W102 VanDerWaalsContact CE1-CG 3.48Å; F81-W102 AromaticContact CG-CD1 3.63Å; F81-W102 HydrophobicContact CG-CG 4.23Å; F81-W102 AromaticContact CG-NE1 3.81Å; F81-W102 HydrophobicContact CZ-CB 4.04Å; F81-W102 HydrophobicContact CZ-CG 4.31Å
103	H	63.8	Low	64.1	Low	17 Å²	17	68.8 Å²	68.8	8%	0.079	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-88.9	-1.9	-176.3	-32	86.6	0	0	0	113.5	V20 R24 Q27 W100 G101	V20-H103 HydrophobicContact CG1-CB 4.23Å; V20-H103 PolarHBondContact O-CD2 2.97Å; R24-H103 HydrophobicContact CB-CB 4.28Å; R24-H103 HydrophobicContact CG-CB 4.27Å; Q27-H103 PolarHBondContact NE2-CE1 2.99Å; Q27-H103 PolarHBondContact NE2-NE2 3.3Å; Q27-H103 PolarHBondContact OE1-CE1 2.86Å; Q27-H103 PolarHBondContact OE1-NE2 2.99Å; W100-H103 PolarHBondContact O-CE1 3.13Å; W100-H103 PolarHBondContact O-ND1 2.91Å; G101-H103 PolarHBondContact O-N 3Å
104	S	70.8	Confident	64.9	Low	41 Å²	41	68.1 Å²	68.1	29%	0.287	35%	0.353	S	S	.	.	S	Bend	trans	-73.9	143.3	178.9	73.8	0	0	0	0	110.8	G101 E106 R107 V108	G101-S104 PolarHBondContact O-N 3.22Å; G101-S104 PolarHBondContact O-OG 3.2Å; S104-E106 PolarHBondContact O-N 3.41Å; S104-R107 PolarHBondContact O-N 3.03Å; S104-R107 VanDerWaalsContact O-N 3.1Å; S104-R107 WeakPolarHBondContact OG-CG 3.44Å; S104-V108 PolarHBondContact O-N 3Å; S104-V108 VanDerWaalsContact O-N 3.14Å
105	W	66.8	Low	66.1	Low	157 Å²	157	63.2 Å²	63.2	60%	0.595	32%	0.318	S	S	*	.	H	α-helix	trans	-58.5	-34.1	-178.8	-168.8	-111.7	0	0	0	112.5	V17 R107 V108 L109	V17-W105 HydrophobicContact CG1-CZ3 4.33Å; V17-W105 HydrophobicContact CG2-CH2 4.35Å; V17-W105 HydrophobicContact CG2-CZ3 3.81Å; W105-R107 PolarHBondContact O-N 3.46Å; W105-V108 PolarHBondContact O-N 3.22Å; W105-L109 HydrophobicContact CG-CD1 4.43Å; W105-L109 WeakPolarHBondContact O-CB 3.31Å; W105-L109 WeakPolarHBondContact O-CG 3.39Å; W105-L109 PolarHBondContact O-N 3.46Å
106	E	68.5	Low	66.6	Low	158 Å²	158	65.1 Å²	65.1	74%	0.738	33%	0.334	S	S	*	.	H	α-helix	trans	-60.1	-42.9	176.2	-63.7	176.5	179.8	0	0	112.5	S104 L109 Q110	S104-E106 PolarHBondContact O-N 3.41Å; E106-L109 PolarHBondContact O-N 3.34Å; E106-Q110 WeakPolarHBondContact O-CB 3.45Å; E106-Q110 PolarHBondContact O-N 3.26Å
107	R	70.4	Confident	67.1	Low	55 Å²	55	63.8 Å²	63.8	21%	0.208	33%	0.327	C	S	.	.	H	α-helix	trans	-79.1	-29.6	-178.8	-67.9	-170.1	-173.9	175.5	-2.5	113.1	E98 G101 S104 W105 Q110 G111	E98-R107 PolarHBondContact O-NH1 3.34Å; G101-R107 VanDerWaalsContact C-NH1 3.28Å; G101-R107 VanDerWaalsContact CA-NH1 3.3Å; G101-R107 WeakPolarHBondContact O-CD 3.47Å; S104-R107 PolarHBondContact O-N 3.03Å; S104-R107 VanDerWaalsContact O-N 3.1Å; S104-R107 WeakPolarHBondContact OG-CG 3.44Å; W105-R107 PolarHBondContact O-N 3.46Å; R107-Q110 PolarHBondContact O-N 3.28Å; R107-G111 PolarHBondContact O-N 2.9Å
108	V	69.8	Low	67.9	Low	13 Å²	13	57 Å²	57	8%	0.079	30%	0.298	C	S	.	.	H	α-helix	trans	-62.7	-49.2	169.4	174.9	0	0	0	0	109.6	V20 S104 W105 Q110 G111 Y112	V20-V108 HydrophobicContact CG1-CG2 4.33Å; S104-V108 PolarHBondContact O-N 3Å; S104-V108 VanDerWaalsContact O-N 3.14Å; W105-V108 PolarHBondContact O-N 3.22Å; V108-Q110 VanDerWaalsContact C-N 3.35Å; V108-Q110 PolarHBondContact O-N 2.7Å; V108-G111 PolarHBondContact O-N 3.12Å; V108-G111 VanDerWaalsContact O-N 3.14Å; V108-Y112 HydrophobicContact CG1-CD2 3.92Å; V108-Y112 HydrophobicContact CG1-CE2 3.67Å; V108-Y112 WeakPolarHBondContact O-CD2 3.48Å; V108-Y112 PolarHBondContact O-N 3.43Å; V108-Y112 VanDerWaalsContact O-N 3.08Å
109	L	72.4	Confident	68.7	Low	97 Å²	97	58.4 Å²	58.4	51%	0.508	30%	0.301	S	S	.	.	H	α-helix	trans	-59.1	-42.9	175.3	-78.7	167.9	0	0	0	112.6	W105 E106 G111 Y112 A113	W105-L109 HydrophobicContact CG-CD1 4.43Å; W105-L109 WeakPolarHBondContact O-CB 3.31Å; W105-L109 WeakPolarHBondContact O-CG 3.39Å; W105-L109 PolarHBondContact O-N 3.46Å; E106-L109 PolarHBondContact O-N 3.34Å; L109-G111 VanDerWaalsContact C-N 3.33Å; L109-G111 PolarHBondContact O-N 3.06Å; L109-Y112 PolarHBondContact O-N 3.41Å; L109-A113 PolarHBondContact O-N 3.28Å
110	Q	73.8	Confident	69	Low	108 Å²	108	61.9 Å²	61.9	51%	0.505	32%	0.319	S	S	.	.	H	α-helix	trans	-59.7	-42.3	174.7	-171.1	-177.3	4.6	0	0	111.8	E106 R107 V108 Y112 A113 V114	E106-Q110 WeakPolarHBondContact O-CB 3.45Å; E106-Q110 PolarHBondContact O-N 3.26Å; R107-Q110 PolarHBondContact O-N 3.28Å; V108-Q110 VanDerWaalsContact C-N 3.35Å; V108-Q110 PolarHBondContact O-N 2.7Å; Q110-Y112 PolarHBondContact O-N 3.46Å; Q110-A113 PolarHBondContact O-N 2.88Å; Q110-V114 VanDerWaalsContact O-CG2 3.29Å; Q110-V114 WeakPolarHBondContact O-CG2 3.38Å; Q110-V114 PolarHBondContact O-N 3.41Å
111	G	72.1	Confident	69.5	Low	15 Å²	15	61.4 Å²	61.4	16%	0.155	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-42.1	175.9	0	0	0	0	0	112.9	R107 V108 L109 T115	R107-G111 PolarHBondContact O-N 2.9Å; V108-G111 PolarHBondContact O-N 3.12Å; V108-G111 VanDerWaalsContact O-N 3.14Å; L109-G111 VanDerWaalsContact C-N 3.33Å; L109-G111 PolarHBondContact O-N 3.06Å; G111-T115 WeakPolarHBondContact O-CB 3.14Å; G111-T115 PolarHBondContact O-N 3.41Å; G111-T115 PolarHBondContact O-OG1 3.32Å
112	Y	76.1	Confident	70	Confident	68 Å²	68	63.7 Å²	63.7	27%	0.267	32%	0.32	S	S	.	.	H	α-helix	trans	-66.3	-41	174.7	-79.8	-75.6	0	0	0	112.5	I13 D16 L77 V108 L109 Q110 T115 A116	I13-Y112 HydrophobicContact CG1-CE1 4.37Å; D16-Y112 WeakPolarHBondContact CB-OH 3.49Å; D16-Y112 VanDerWaalsContact CG-OH 3.29Å; D16-Y112 PolarHBondContact OD2-OH 3.36Å; L77-Y112 HydrophobicContact CD1-CD1 4.04Å; L77-Y112 HydrophobicContact CD1-CD2 4.43Å; L77-Y112 HydrophobicContact CD1-CE1 4.16Å; L77-Y112 HydrophobicContact CD1-CE2 4.49Å; L77-Y112 HydrophobicContact CD1-CG 4.18Å; L77-Y112 HydrophobicContact CD2-CD1 4.44Å; L77-Y112 HydrophobicContact CD2-CE1 3.84Å; V108-Y112 HydrophobicContact CG1-CD2 3.92Å; V108-Y112 HydrophobicContact CG1-CE2 3.67Å; V108-Y112 WeakPolarHBondContact O-CD2 3.48Å; V108-Y112 PolarHBondContact O-N 3.43Å; V108-Y112 VanDerWaalsContact O-N 3.08Å; L109-Y112 PolarHBondContact O-N 3.41Å; Q110-Y112 PolarHBondContact O-N 3.46Å; Y112-T115 PolarHBondContact O-N 2.99Å; Y112-A116 WeakPolarHBondContact O-CB 3.26Å; Y112-A116 PolarHBondContact O-N 2.95Å
113	A	69.2	Low	70	Confident	56 Å²	56	65 Å²	65	46%	0.463	33%	0.331	S	S	.	.	H	α-helix	trans	-62.6	-46.1	176.4	0	0	0	0	0	111.9	L109 Q110 T115 A116 V117	L109-A113 PolarHBondContact O-N 3.28Å; Q110-A113 PolarHBondContact O-N 2.88Å; A113-T115 VanDerWaalsContact C-N 3.32Å; A113-T115 PolarHBondContact O-N 3.39Å; A113-A116 PolarHBondContact O-N 3.17Å; A113-V117 WeakPolarHBondContact O-CG2 3.46Å; A113-V117 PolarHBondContact O-N 2.93Å
114	V	76	Confident	69.8	Low	35 Å²	35	69.1 Å²	69.1	21%	0.212	35%	0.346	C	S	.	.	H	α-helix	trans	-62.3	-40.5	176.2	171.3	0	0	0	0	111.3	Q110 V117 S118	Q110-V114 VanDerWaalsContact O-CG2 3.29Å; Q110-V114 WeakPolarHBondContact O-CG2 3.38Å; Q110-V114 PolarHBondContact O-N 3.41Å; V114-V117 PolarHBondContact O-N 2.98Å; V114-S118 VanDerWaalsContact O-CB 3.26Å; V114-S118 WeakPolarHBondContact O-CB 3.39Å; V114-S118 PolarHBondContact O-N 2.72Å; V114-S118 PolarHBondContact O-OG 3.18Å
115	T	78.1	Confident	69.1	Low	15 Å²	15	69 Å²	69	9%	0.092	34%	0.339	C	S	.	.	H	α-helix	trans	-65.5	-40.1	177.1	-54.4	0	0	0	0	111.2	S73 L77 G111 Y112 A113 S118 W119	S73-T115 VanDerWaalsContact O-CG2 3.22Å; S73-T115 WeakPolarHBondContact O-CG2 3.46Å; L77-T115 WeakPolarHBondContact CA-OG1 3.49Å; L77-T115 HydrophobicContact CB-CG2 4.15Å; L77-T115 WeakPolarHBondContact CB-OG1 3.22Å; L77-T115 WeakPolarHBondContact CD1-OG1 3.41Å; G111-T115 WeakPolarHBondContact O-CB 3.14Å; G111-T115 PolarHBondContact O-N 3.41Å; G111-T115 PolarHBondContact O-OG1 3.32Å; Y112-T115 PolarHBondContact O-N 2.99Å; A113-T115 VanDerWaalsContact C-N 3.32Å; A113-T115 PolarHBondContact O-N 3.39Å; T115-S118 PolarHBondContact O-N 2.85Å; T115-W119 WeakPolarHBondContact O-CB 3.27Å; T115-W119 PolarHBondContact O-N 2.91Å
116	A	69.3	Low	68.4	Low	49 Å²	49	63.4 Å²	63.4	41%	0.405	32%	0.321	S	S	.	.	H	α-helix	trans	-64.9	-43.9	176.4	0	0	0	0	0	112.3	Y112 A113 W119 L120	Y112-A116 WeakPolarHBondContact O-CB 3.26Å; Y112-A116 PolarHBondContact O-N 2.95Å; A113-A116 PolarHBondContact O-N 3.17Å; A116-W119 PolarHBondContact O-N 3.35Å; A116-L120 WeakPolarHBondContact O-CB 3.43Å; A116-L120 VanDerWaalsContact O-CG 3.29Å; A116-L120 WeakPolarHBondContact O-CG 3.3Å; A116-L120 PolarHBondContact O-N 3.27Å
117	V	66.8	Low	67.4	Low	76 Å²	76	56.8 Å²	56.8	46%	0.461	29%	0.292	S	S	.	.	H	α-helix	trans	-65.3	-44.2	175.8	173.7	0	0	0	0	111	A113 V114 W119 L120 Y121	A113-V117 WeakPolarHBondContact O-CG2 3.46Å; A113-V117 PolarHBondContact O-N 2.93Å; V114-V117 PolarHBondContact O-N 2.98Å; V117-W119 VanDerWaalsContact C-N 3.33Å; V117-W119 PolarHBondContact O-N 3.27Å; V117-L120 PolarHBondContact O-N 3.01Å; V117-Y121 WeakPolarHBondContact O-CB 3.35Å; V117-Y121 PolarHBondContact O-N 2.84Å
118	S	72.6	Confident	66.3	Low	34 Å²	34	57.5 Å²	57.5	24%	0.238	31%	0.305	C	S	.	.	H	α-helix	trans	-65.4	-37.9	178.5	-56.4	0	0	0	0	111.8	V114 T115 Y121 W122	V114-S118 VanDerWaalsContact O-CB 3.26Å; V114-S118 WeakPolarHBondContact O-CB 3.39Å; V114-S118 PolarHBondContact O-N 2.72Å; V114-S118 PolarHBondContact O-OG 3.18Å; T115-S118 PolarHBondContact O-N 2.85Å; S118-Y121 PolarHBondContact O-N 2.7Å; S118-W122 VanDerWaalsContact O-CB 3.29Å; S118-W122 WeakPolarHBondContact O-CB 3.48Å; S118-W122 PolarHBondContact O-N 3.17Å
119	W	72	Confident	64.8	Low	96 Å²	96	65.4 Å²	65.4	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-64.9	-46.1	174.1	174.6	67.9	0	0	0	112.1	W64 T115 A116 V117 Y121 W122 S123	W64-W119 AromaticContact CH2-CD1 3.32Å; W64-W119 AromaticContact CH2-CE2 3.79Å; W64-W119 HydrophobicContact CH2-CZ2 4.4Å; W64-W119 AromaticContact CH2-NE1 2.77Å; W64-W119 AromaticContact CZ2-CD1 3.59Å; W64-W119 AromaticContact CZ2-CE2 3.86Å; W64-W119 HydrophobicContact CZ2-CG 4.5Å; W64-W119 HydrophobicContact CZ2-CZ2 4.42Å; W64-W119 AromaticContact CZ2-NE1 3.17Å; W64-W119 AromaticContact CZ3-NE1 3.48Å; T115-W119 WeakPolarHBondContact O-CB 3.27Å; T115-W119 PolarHBondContact O-N 2.91Å; A116-W119 PolarHBondContact O-N 3.35Å; V117-W119 VanDerWaalsContact C-N 3.33Å; V117-W119 PolarHBondContact O-N 3.27Å; W119-Y121 VanDerWaalsContact C-N 3.29Å; W119-Y121 PolarHBondContact O-N 3.13Å; W119-W122 PolarHBondContact O-N 2.91Å; W119-S123 VanDerWaalsContact O-CB 3.24Å; W119-S123 WeakPolarHBondContact O-CB 3.43Å; W119-S123 PolarHBondContact O-N 3.12Å; W119-S123 PolarHBondContact O-OG 3.36Å
120	L	64.4	Low	63.2	Low	84 Å²	84	66.5 Å²	66.5	44%	0.44	34%	0.343	S	S	.	.	H	α-helix	trans	-60.1	-40.4	175.1	-75.6	168.6	0	0	0	111.8	A116 V117 S123 R124	A116-L120 WeakPolarHBondContact O-CB 3.43Å; A116-L120 VanDerWaalsContact O-CG 3.29Å; A116-L120 WeakPolarHBondContact O-CG 3.3Å; A116-L120 PolarHBondContact O-N 3.27Å; V117-L120 PolarHBondContact O-N 3.01Å; L120-S123 PolarHBondContact O-OG 2.92Å; L120-R124 VanDerWaalsContact O-CB 3.32Å; L120-R124 WeakPolarHBondContact O-CB 3.35Å; L120-R124 PolarHBondContact O-N 2.92Å
121	Y	66.8	Low	61.4	Low	84 Å²	84	65.8 Å²	65.8	33%	0.329	35%	0.346	S	S	.	.	H	α-helix	trans	-66.2	-46.6	176	-174.1	-101.8	0	0	0	112	V117 S118 W119 Y125 I126 P313 V317	V117-Y121 WeakPolarHBondContact O-CB 3.35Å; V117-Y121 PolarHBondContact O-N 2.84Å; S118-Y121 PolarHBondContact O-N 2.7Å; W119-Y121 VanDerWaalsContact C-N 3.29Å; W119-Y121 PolarHBondContact O-N 3.13Å; Y121-Y125 AromaticContact CD2-CD2 3.84Å; Y121-Y125 HydrophobicContact CD2-CD2 3.84Å; Y121-Y125 HydrophobicContact CD2-CE2 4.39Å; Y121-Y125 HydrophobicContact CE2-CD2 4.06Å; Y121-Y125 HydrophobicContact CG-CD2 4.49Å; Y121-Y125 PolarHBondContact O-N 2.77Å; Y121-I126 HydrophobicContact CD1-CD1 4.07Å; Y121-I126 HydrophobicContact CE1-CD1 3.9Å; Y121-I126 HydrophobicContact CE1-CG1 4.35Å; Y121-P313 HydrophobicContact CD2-CB 3.93Å; Y121-P313 HydrophobicContact CE2-CB 3.77Å; Y121-P313 HydrophobicContact CE2-CG 4.08Å; Y121-V317 HydrophobicContact CD2-CG2 4.47Å
122	W	67.9	Low	59.6	Low	70 Å²	70	75.8 Å²	75.8	27%	0.265	38%	0.379	S	S	.	.	I	π-helix	trans	-69.4	-46.8	-176.5	-159.9	-74.2	0	0	0	112.6	S118 W119 R124 I126 S127 M130	S118-W122 VanDerWaalsContact O-CB 3.29Å; S118-W122 WeakPolarHBondContact O-CB 3.48Å; S118-W122 PolarHBondContact O-N 3.17Å; W119-W122 PolarHBondContact O-N 2.91Å; W122-R124 PolarHBondContact O-N 2.85Å; W122-I126 HydrophobicContact CD2-CB 3.93Å; W122-I126 HydrophobicContact CD2-CD1 3.61Å; W122-I126 HydrophobicContact CD2-CG1 4.36Å; W122-I126 HydrophobicContact CD2-CG2 3.91Å; W122-I126 HydrophobicContact CE3-CB 4.5Å; W122-I126 HydrophobicContact CE3-CD1 3.28Å; W122-I126 HydrophobicContact CE3-CG1 4.46Å; W122-I126 HydrophobicContact CE3-CG2 4.49Å; W122-I126 HydrophobicContact CG-CB 4.01Å; W122-I126 HydrophobicContact CG-CD1 4.22Å; W122-I126 HydrophobicContact CG-CG2 4.35Å; W122-I126 HydrophobicContact CH2-CD1 4.13Å; W122-I126 HydrophobicContact CH2-CG2 4.18Å; W122-I126 HydrophobicContact CZ2-CB 4.47Å; W122-I126 HydrophobicContact CZ2-CD1 4.41Å; W122-I126 HydrophobicContact CZ2-CG2 3.55Å; W122-I126 HydrophobicContact CZ3-CD1 3.57Å; W122-I126 PolarHBondContact O-N 2.85Å; W122-S127 PolarHBondContact O-N 2.85Å; W122-S127 PolarHBondContact O-OG 2.8Å; W122-M130 HydrophobicContact CZ2-CE 3.64Å
123	S	63	Low	57.4	Low	38 Å²	38	77.9 Å²	77.9	27%	0.266	40%	0.399	S	S	.	.	I	π-helix	trans	-64.4	-20.8	-179.2	59.3	0	0	0	0	113.5	W119 L120 S127	W119-S123 VanDerWaalsContact O-CB 3.24Å; W119-S123 WeakPolarHBondContact O-CB 3.43Å; W119-S123 PolarHBondContact O-N 3.12Å; W119-S123 PolarHBondContact O-OG 3.36Å; L120-S123 PolarHBondContact O-OG 2.92Å; S123-S127 PolarHBondContact O-OG 2.85Å
124	R	58.6	Low	55.6	Low	102 Å²	102	81.8 Å²	81.8	39%	0.385	42%	0.419	S	S	.	.	I	π-helix	trans	-104.8	-37.2	-177.2	-161.3	166.9	176.4	147.9	-4.1	113.8	L120 W122 S128 E320	L120-R124 VanDerWaalsContact O-CB 3.32Å; L120-R124 WeakPolarHBondContact O-CB 3.35Å; L120-R124 PolarHBondContact O-N 2.92Å; W122-R124 PolarHBondContact O-N 2.85Å; R124-S128 WeakPolarHBondContact O-CB 3.45Å; R124-E320 IonicContact CZ-OE1 3.01Å; R124-E320 IonicContact NE-OE1 2.67Å; R124-E320 PolarHBondContact NE-OE1 3.18Å; R124-E320 VanDerWaalsContact NE-OE1 3.17Å; R124-E320 IonicContact NH2-OE1 3.89Å; R124-E320 PolarHBondContact NH2-OE1 3.36Å
125	Y	56.3	Low	53.4	Low	40 Å²	40	84.8 Å²	84.8	16%	0.157	44%	0.442	C	S	.	.	I	π-helix	trans	-113.1	-39.7	-173.1	-58.4	-63.9	0	0	0	114.4	Y121 F129 W316 V317 E320	Y121-Y125 AromaticContact CD2-CD2 3.84Å; Y121-Y125 HydrophobicContact CD2-CD2 3.84Å; Y121-Y125 HydrophobicContact CD2-CE2 4.39Å; Y121-Y125 HydrophobicContact CE2-CD2 4.06Å; Y121-Y125 HydrophobicContact CG-CD2 4.49Å; Y121-Y125 PolarHBondContact O-N 2.77Å; Y125-F129 WeakPolarHBondContact O-CB 3.27Å; Y125-F129 PolarHBondContact O-N 3.07Å; Y125-F129 VanDerWaalsContact O-N 3.11Å; Y125-W316 HydrophobicContact CD1-CE3 4.46Å; Y125-W316 AromaticContact CD1-CH2 3.2Å; Y125-W316 HydrophobicContact CD1-CH2 3.2Å; Y125-W316 HydrophobicContact CD1-CZ2 4.29Å; Y125-W316 AromaticContact CD1-CZ3 3.29Å; Y125-W316 HydrophobicContact CD1-CZ3 3.29Å; Y125-W316 HydrophobicContact CD2-CE3 4.18Å; Y125-W316 HydrophobicContact CD2-CH2 4.33Å; Y125-W316 AromaticContact CD2-CZ3 3.56Å; Y125-W316 HydrophobicContact CD2-CZ3 3.56Å; Y125-W316 AromaticContact CE1-CE3 3.94Å; Y125-W316 HydrophobicContact CE1-CE3 3.94Å; Y125-W316 AromaticContact CE1-CH2 2.79Å; Y125-W316 HydrophobicContact CE1-CH2 2.79Å; Y125-W316 AromaticContact CE1-CZ2 3.51Å; Y125-W316 HydrophobicContact CE1-CZ2 3.51Å; Y125-W316 AromaticContact CE1-CZ3 3.03Å; Y125-W316 HydrophobicContact CE1-CZ3 3.03Å; Y125-W316 AromaticContact CE2-CE3 3.57Å; Y125-W316 HydrophobicContact CE2-CE3 3.57Å; Y125-W316 AromaticContact CE2-CH2 3.99Å; Y125-W316 HydrophobicContact CE2-CH2 3.99Å; Y125-W316 AromaticContact CE2-CZ3 3.27Å; Y125-W316 HydrophobicContact CE2-CZ3 3.27Å; Y125-W316 AromaticContact CG-CH2 3.96Å; Y125-W316 HydrophobicContact CG-CH2 3.96Å; Y125-W316 AromaticContact CG-CZ3 3.54Å; Y125-W316 HydrophobicContact CG-CZ3 3.54Å; Y125-W316 AromaticContact CZ-CE3 3.39Å; Y125-W316 AromaticContact CZ-CH2 3.2Å; Y125-W316 AromaticContact CZ-CZ2 3.77Å; Y125-W316 AromaticContact CZ-CZ3 2.95Å; Y125-W316 WeakPolarHBondContact OH-CZ3 3.41Å; Y125-V317 HydrophobicContact CE2-CG2 4.02Å; Y125-E320 PolarHBondContact OH-OE1 3.34Å; Y125-E320 PolarHBondContact OH-OE2 3.48Å
126	I	53.4	Low	51.1	Low	39 Å²	39	92.7 Å²	92.7	20%	0.2	48%	0.478	C	S	.	.	I	π-helix	trans	-82.8	-38	-178.3	-64.6	169.5	0	0	0	110.9	Y121 W122 S128 F129 M130	Y121-I126 HydrophobicContact CD1-CD1 4.07Å; Y121-I126 HydrophobicContact CE1-CD1 3.9Å; Y121-I126 HydrophobicContact CE1-CG1 4.35Å; W122-I126 HydrophobicContact CD2-CB 3.93Å; W122-I126 HydrophobicContact CD2-CD1 3.61Å; W122-I126 HydrophobicContact CD2-CG1 4.36Å; W122-I126 HydrophobicContact CD2-CG2 3.91Å; W122-I126 HydrophobicContact CE3-CB 4.5Å; W122-I126 HydrophobicContact CE3-CD1 3.28Å; W122-I126 HydrophobicContact CE3-CG1 4.46Å; W122-I126 HydrophobicContact CE3-CG2 4.49Å; W122-I126 HydrophobicContact CG-CB 4.01Å; W122-I126 HydrophobicContact CG-CD1 4.22Å; W122-I126 HydrophobicContact CG-CG2 4.35Å; W122-I126 HydrophobicContact CH2-CD1 4.13Å; W122-I126 HydrophobicContact CH2-CG2 4.18Å; W122-I126 HydrophobicContact CZ2-CB 4.47Å; W122-I126 HydrophobicContact CZ2-CD1 4.41Å; W122-I126 HydrophobicContact CZ2-CG2 3.55Å; W122-I126 HydrophobicContact CZ3-CD1 3.57Å; W122-I126 PolarHBondContact O-N 2.85Å; I126-S128 VanDerWaalsContact C-N 3.31Å; I126-S128 PolarHBondContact O-N 2.81Å; I126-F129 PolarHBondContact O-N 2.82Å; I126-F129 VanDerWaalsContact O-N 3.15Å; I126-M130 HydrophobicContact CG2-CE 3.37Å; I126-M130 PolarHBondContact O-N 3.16Å
127	S	47.5	Very low	49.2	Very low	19 Å²	19	99.1 Å²	99.1	13%	0.133	50%	0.497	C	S	.	.	H	α-helix	trans	-58	-45.5	169.4	67.5	0	0	0	0	110.4	W122 S123 F129 M130 T131	W122-S127 PolarHBondContact O-N 2.85Å; W122-S127 PolarHBondContact O-OG 2.8Å; S123-S127 PolarHBondContact O-OG 2.85Å; S127-F129 VanDerWaalsContact C-N 3.28Å; S127-F129 PolarHBondContact O-N 3.15Å; S127-M130 PolarHBondContact O-N 2.95Å; S127-T131 WeakPolarHBondContact O-CA 3.41Å; S127-T131 VanDerWaalsContact O-CB 3.29Å; S127-T131 WeakPolarHBondContact O-CB 3.46Å; S127-T131 PolarHBondContact O-N 2.99Å; S127-T131 PolarHBondContact O-OG1 2.92Å
128	S	45.4	Very low	47.5	Very low	70 Å²	70	105.3 Å²	105.3	49%	0.49	52%	0.518	S	S	.	.	H	α-helix	trans	-59	-35.3	174.5	172.3	0	0	0	0	113.1	R124 I126	R124-S128 WeakPolarHBondContact O-CB 3.45Å; I126-S128 VanDerWaalsContact C-N 3.31Å; I126-S128 PolarHBondContact O-N 2.81Å
129	F	38.3	Very low	45.3	Very low	178 Å²	178	113.2 Å²	113.2	78%	0.781	55%	0.551	S	S	*	*	H	α-helix	trans	-77.5	-40.8	177.4	-165.1	-98.4	0	0	0	113.2	Y125 I126 S127	Y125-F129 WeakPolarHBondContact O-CB 3.27Å; Y125-F129 PolarHBondContact O-N 3.07Å; Y125-F129 VanDerWaalsContact O-N 3.11Å; I126-F129 PolarHBondContact O-N 2.82Å; I126-F129 VanDerWaalsContact O-N 3.15Å; S127-F129 VanDerWaalsContact C-N 3.28Å; S127-F129 PolarHBondContact O-N 3.15Å
130	M	39.6	Very low	43.3	Very low	121 Å²	121	118 Å²	118	60%	0.596	57%	0.574	S	S	*	*	H	α-helix	trans	-86.6	-26.7	-178.7	-82.9	-160.5	-92.2	0	0	114.4	W122 I126 S127	W122-M130 HydrophobicContact CZ2-CE 3.64Å; I126-M130 HydrophobicContact CG2-CE 3.37Å; I126-M130 PolarHBondContact O-N 3.16Å; S127-M130 PolarHBondContact O-N 2.95Å
131	T	36.8	Very low	41.6	Very low	93 Å²	93	123.7 Å²	123.7	57%	0.571	60%	0.595	S	S	*	*			trans	-99.5	26.5	-178.9	65	0	0	0	0	113.9	S127 T133	S127-T131 WeakPolarHBondContact O-CA 3.41Å; S127-T131 VanDerWaalsContact O-CB 3.29Å; S127-T131 WeakPolarHBondContact O-CB 3.46Å; S127-T131 PolarHBondContact O-N 2.99Å; S127-T131 PolarHBondContact O-OG1 2.92Å; T131-T133 PolarHBondContact O-N 2.9Å
132	R	33.3	Very low	39.9	Very low	225 Å²	225	125.4 Å²	125.4	85%	0.849	62%	0.617	S	S	*	*			trans	-71.7	62.3	160.2	-92.6	-173.7	172.9	178.9	1.3	111.1
133	T	29.3	Very low	38.8	Very low	112 Å²	112	123.8 Å²	123.8	69%	0.687	62%	0.622	S	S	*	*			trans	-79.7	132	147.5	19.6	0	0	0	0	107.6	T131 S135	T131-T133 PolarHBondContact O-N 2.9Å; T133-S135 PolarHBondContact O-N 2.85Å
134	P	32.9	Very low	38	Very low	137 Å²	137	124.6 Å²	124.6	89%	0.89	63%	0.626	S	S	*	*			trans	-71.3	97.6	-174	29.1	-32	0	0	0	109.3
135	S	29.6	Very low	38	Very low	99 Å²	99	124.8 Å²	124.8	69%	0.692	64%	0.635	S	S	*	*			trans	-125.1	109.2	177.9	-179	0	0	0	0	111.1	T133	T133-S135 PolarHBondContact O-N 2.85Å
136	Q	29.8	Very low	38.2	Very low	181 Å²	181	125.7 Å²	125.7	85%	0.846	65%	0.647	S	S	*	*			trans	62.2	79.4	156.8	-61.6	-171.5	-6.9	0	0	118.2	K138	Q136-K138 PolarHBondContact O-N 3.11Å
137	K	28.8	Very low	39	Very low	183 Å²	183	133.3 Å²	133.3	80%	0.796	67%	0.673	S	S	*	*			trans	-53.9	118.2	144.8	-94.3	177.5	172.5	177.9	0	108.3	E139	K137-E139 PolarHBondContact O-N 2.96Å
138	K	30.3	Very low	40.5	Very low	206 Å²	206	135.6 Å²	135.6	90%	0.896	68%	0.684	S	S	*	*			trans	-55.7	123.3	153.6	-86.4	178.9	173.8	176.8	0	107.3	Q136 K140	Q136-K138 PolarHBondContact O-N 3.11Å; K138-K140 PolarHBondContact O-N 2.79Å
139	E	27	Very low	42	Very low	201 Å²	201	132.4 Å²	132.4	94%	0.939	66%	0.662	S	S	*	*			trans	-59	92.5	177	-74.1	179.4	144.8	0	0	110.8	K137	K137-E139 PolarHBondContact O-N 2.96Å
140	K	30.7	Very low	43.9	Very low	197 Å²	197	127.3 Å²	127.3	86%	0.857	64%	0.642	S	S	*	*			trans	-91.9	135.1	137.9	-88.4	-180	171.9	-179.5	0	105.8	K138	K138-K140 PolarHBondContact O-N 2.79Å
141	K	27.9	Very low	46	Very low	202 Å²	202	128 Å²	128	88%	0.878	64%	0.642	S	S	*	*			trans	-39.6	134.1	173.1	-74.3	-179.6	175.4	-179.7	0	109.5	G143	K141-G143 PolarHBondContact O-N 3.31Å
142	P	32.1	Very low	48.2	Very low	121 Å²	121	127.9 Å²	127.9	79%	0.786	63%	0.631	S	S	*	*			trans	-67.5	105.8	-178.8	28.6	-30.2	0	0	0	107.6
143	G	44.1	Very low	50.5	Low	35 Å²	35	117.6 Å²	117.6	36%	0.361	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-63.4	149.8	155.4	0	0	0	0	0	109	K141 D145 E453	K141-G143 PolarHBondContact O-N 3.31Å; G143-D145 PolarHBondContact O-N 2.81Å; G143-E453 WeakPolarHBondContact CA-OE1 3.32Å
144	P	46.4	Very low	52.9	Low	56 Å²	56	117.3 Å²	117.3	36%	0.364	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-47	135.6	177	17.5	-30.8	0	0	0	111.5	S146 E453	P144-S146 PolarHBondContact O-N 3.22Å; P144-E453 WeakPolarHBondContact CD-OE1 3.39Å; P144-E453 HydrophobicContact CG-CG 3.93Å
145	D	59.1	Low	55.4	Low	105 Å²	105	112.9 Å²	112.9	56%	0.561	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-50.7	136.9	-175.9	-90.9	-33.8	0	0	0	110.6	G143 R147 D148	G143-D145 PolarHBondContact O-N 2.81Å; D145-R147 CarbonylContact O-C 3.59Å; D145-R147 PolarHBondContact O-N 2.84Å; D145-D148 WeakPolarHBondContact O-CB 3.43Å; D145-D148 PolarHBondContact O-N 3.41Å
146	S	60.4	Low	57.9	Low	60 Å²	60	111.7 Å²	111.7	42%	0.42	55%	0.545	S	S	.	.	H	α-helix	trans	-49.5	-21.7	176.7	169.9	0	0	0	0	114	P144 L150	P144-S146 PolarHBondContact O-N 3.22Å; S146-L150 WeakPolarHBondContact O-CB 3.4Å; S146-L150 PolarHBondContact O-N 3.01Å; S146-L150 VanDerWaalsContact O-N 3.11Å
147	R	69.9	Low	60.5	Low	199 Å²	199	104.8 Å²	104.8	75%	0.751	51%	0.513	S	S	*	.	H	α-helix	trans	-65.9	-35.6	170.9	-74.2	-177.5	172.4	-176.9	-2.8	113.7	D145 K151	D145-R147 CarbonylContact O-C 3.59Å; D145-R147 PolarHBondContact O-N 2.84Å; R147-K151 VanDerWaalsContact O-CG 3.31Å; R147-K151 WeakPolarHBondContact O-CG 3.05Å; R147-K151 PolarHBondContact O-N 3.41Å
148	D	78.3	Confident	63.2	Low	66 Å²	66	101.9 Å²	101.9	35%	0.353	51%	0.505	S	S	.	.	H	α-helix	trans	-74.5	-40.9	178.8	-70.9	-17	0	0	0	111.2	D145 L150 K151 R152	D145-D148 WeakPolarHBondContact O-CB 3.43Å; D145-D148 PolarHBondContact O-N 3.41Å; D148-L150 VanDerWaalsContact C-N 3.32Å; D148-L150 PolarHBondContact O-N 3.12Å; D148-K151 PolarHBondContact O-N 3.32Å; D148-K151 IonicContact OD1-NZ 2.99Å; D148-R152 WeakPolarHBondContact O-CD 3.48Å; D148-R152 VanDerWaalsContact O-CG 3.25Å; D148-R152 WeakPolarHBondContact O-CG 3.36Å; D148-R152 PolarHBondContact O-N 3.04Å
149	S	77.6	Confident	66	Low	3 Å²	3	96.7 Å²	96.7	2%	0.021	49%	0.493	C	S	.	.	H	α-helix	trans	-59.8	-42.5	170.9	-53.9	0	0	0	0	111.5	R152 L153 F456	S149-R152 PolarHBondContact O-N 3.19Å; S149-L153 WeakPolarHBondContact O-CG 3.44Å; S149-L153 PolarHBondContact O-N 3.19Å; S149-F456 WeakPolarHBondContact O-CE2 3.18Å
150	L	78.9	Confident	68.8	Low	72 Å²	72	89.9 Å²	89.9	38%	0.377	46%	0.459	S	S	.	.	H	α-helix	trans	-62	-47.6	174.5	-174.7	111.1	0	0	0	112.1	S146 D148 R152 L153 M154 I449	S146-L150 WeakPolarHBondContact O-CB 3.4Å; S146-L150 PolarHBondContact O-N 3.01Å; S146-L150 VanDerWaalsContact O-N 3.11Å; D148-L150 VanDerWaalsContact C-N 3.32Å; D148-L150 PolarHBondContact O-N 3.12Å; L150-R152 PolarHBondContact O-N 2.98Å; L150-L153 PolarHBondContact O-N 3.24Å; L150-M154 HydrophobicContact CD2-SD 4.02Å; L150-M154 HydrophobicContact CG-SD 4.49Å; L150-M154 WeakPolarHBondContact O-CG 3.5Å; L150-M154 PolarHBondContact O-N 2.96Å; L150-I449 HydrophobicContact CB-CG2 4.27Å; L150-I449 HydrophobicContact CD1-CD1 3.67Å; L150-I449 HydrophobicContact CD1-CG1 4.43Å
151	K	83.4	Confident	71.5	Confident	136 Å²	136	82.9 Å²	82.9	59%	0.591	44%	0.435	S	S	*	.	H	α-helix	trans	-57.9	-38.5	177	-78.7	173.5	-176.3	171.8	0	112.1	R147 D148 M154 G155	R147-K151 VanDerWaalsContact O-CG 3.31Å; R147-K151 WeakPolarHBondContact O-CG 3.05Å; R147-K151 PolarHBondContact O-N 3.41Å; D148-K151 PolarHBondContact O-N 3.32Å; D148-K151 IonicContact OD1-NZ 2.99Å; K151-M154 WeakPolarHBondContact O-CB 3.34Å; K151-M154 PolarHBondContact O-N 3.22Å; K151-G155 PolarHBondContact O-N 2.94Å
152	R	81.3	Confident	74.5	Confident	89 Å²	89	77.9 Å²	77.9	34%	0.336	42%	0.422	S	S	.	.	H	α-helix	trans	-70.4	-44.7	178.7	-70.7	167.7	177.4	-148.6	-3.3	112.1	D148 S149 L150 M154 G155 Y156 F456 D460	D148-R152 WeakPolarHBondContact O-CD 3.48Å; D148-R152 VanDerWaalsContact O-CG 3.25Å; D148-R152 WeakPolarHBondContact O-CG 3.36Å; D148-R152 PolarHBondContact O-N 3.04Å; S149-R152 PolarHBondContact O-N 3.19Å; L150-R152 PolarHBondContact O-N 2.98Å; R152-M154 VanDerWaalsContact C-N 3.26Å; R152-M154 PolarHBondContact O-N 2.89Å; R152-G155 WeakPolarHBondContact O-CA 3.48Å; R152-G155 PolarHBondContact O-N 3.09Å; R152-Y156 WeakPolarHBondContact O-CD2 3.48Å; R152-Y156 PolarHBondContact O-N 3.05Å; R152-F456 HydrophobicContact CB-CD1 4.38Å; R152-F456 HydrophobicContact CB-CD2 4.39Å; R152-F456 HydrophobicContact CB-CE1 3.99Å; R152-F456 HydrophobicContact CB-CE2 3.96Å; R152-F456 HydrophobicContact CB-CZ 3.76Å; R152-D460 IonicContact CZ-OD1 3.37Å; R152-D460 IonicContact CZ-OD2 3.5Å; R152-D460 IonicContact NH1-OD1 3.8Å; R152-D460 PolarHBondContact NH1-OD1 2.88Å; R152-D460 IonicContact NH1-OD2 2.73Å; R152-D460 PolarHBondContact NH1-OD2 3.47Å; R152-D460 IonicContact NH2-OD1 3.49Å; R152-D460 IonicContact NH2-OD2 2.82Å; R152-D460 PolarHBondContact NH2-OD2 2.96Å
153	L	81.8	Confident	77.3	Confident	9 Å²	9	76.8 Å²	76.8	5%	0.047	40%	0.402	C	S	.	.	H	α-helix	trans	-56.2	-44.2	170.9	-75.2	169.5	0	0	0	111	S149 L150 G155 Y156 M157 M272 L276 I449 F456	S149-L153 WeakPolarHBondContact O-CG 3.44Å; S149-L153 PolarHBondContact O-N 3.19Å; L150-L153 PolarHBondContact O-N 3.24Å; L153-G155 PolarHBondContact O-N 3.04Å; L153-Y156 PolarHBondContact O-N 2.87Å; L153-Y156 VanDerWaalsContact O-N 3.11Å; L153-M157 HydrophobicContact CB-CE 4.37Å; L153-M157 WeakPolarHBondContact O-CG 3.43Å; L153-M157 PolarHBondContact O-N 3.21Å; L153-M157 VanDerWaalsContact O-N 3.08Å; L153-M272 HydrophobicContact CD2-CE 3.48Å; L153-M272 VanDerWaalsContact CD2-CE 3.48Å; L153-M272 HydrophobicContact CD2-SD 4Å; L153-L276 HydrophobicContact CD1-CD2 4.43Å; L153-L276 HydrophobicContact CD2-CD2 4.15Å; L153-I449 HydrophobicContact CD1-CG1 4.13Å; L153-I449 HydrophobicContact CD1-CG2 4.43Å; L153-F456 HydrophobicContact CD2-CE2 4.22Å; L153-F456 HydrophobicContact CD2-CZ 3.77Å; L153-F456 HydrophobicContact CG-CE2 3.86Å; L153-F456 HydrophobicContact CG-CZ 3.75Å
154	M	80.9	Confident	79.4	Confident	107 Å²	107	77 Å²	77	53%	0.527	39%	0.393	S	S	.	.	H	α-helix	trans	-59.8	-35.2	173.5	-72.3	-178.4	69.9	0	0	112.4	L150 K151 R152 Y156 M157 L158	L150-M154 HydrophobicContact CD2-SD 4.02Å; L150-M154 HydrophobicContact CG-SD 4.49Å; L150-M154 WeakPolarHBondContact O-CG 3.5Å; L150-M154 PolarHBondContact O-N 2.96Å; K151-M154 WeakPolarHBondContact O-CB 3.34Å; K151-M154 PolarHBondContact O-N 3.22Å; R152-M154 VanDerWaalsContact C-N 3.26Å; R152-M154 PolarHBondContact O-N 2.89Å; M154-Y156 VanDerWaalsContact C-N 3.33Å; M154-Y156 PolarHBondContact O-N 3.01Å; M154-M157 HydrophobicContact CB-CE 4.49Å; M154-M157 HydrophobicContact CG-CE 4.01Å; M154-M157 CarbonylContact O-C 3.33Å; M154-M157 PolarHBondContact O-N 2.84Å; M154-M157 VanDerWaalsContact O-N 3.15Å; M154-L158 WeakPolarHBondContact O-CB 3.41Å; M154-L158 PolarHBondContact O-N 3.14Å
155	G	84.4	Confident	81.5	Confident	43 Å²	43	79.8 Å²	79.8	44%	0.443	40%	0.404	S	S	.	.	H	α-helix	trans	-58.5	-40.5	173.2	0	0	0	0	0	113.4	K151 R152 L153 P159	K151-G155 PolarHBondContact O-N 2.94Å; R152-G155 WeakPolarHBondContact O-CA 3.48Å; R152-G155 PolarHBondContact O-N 3.09Å; L153-G155 PolarHBondContact O-N 3.04Å; G155-P159 WeakPolarHBondContact O-CD 3.39Å
156	Y	82	Confident	83.1	Confident	74 Å²	74	78.3 Å²	78.3	29%	0.29	40%	0.398	S	S	.	.	H	α-helix	trans	-74.6	-25.6	174.8	-74.2	-81.5	0	0	0	113.3	R152 L153 M154 P159 V237 F456	R152-Y156 WeakPolarHBondContact O-CD2 3.48Å; R152-Y156 PolarHBondContact O-N 3.05Å; L153-Y156 PolarHBondContact O-N 2.87Å; L153-Y156 VanDerWaalsContact O-N 3.11Å; M154-Y156 VanDerWaalsContact C-N 3.33Å; M154-Y156 PolarHBondContact O-N 3.01Å; Y156-P159 WeakPolarHBondContact O-CD 3.41Å; Y156-V237 HydrophobicContact CD1-CG2 3.9Å; Y156-V237 HydrophobicContact CD2-CG2 4.43Å; Y156-V237 HydrophobicContact CE1-CG2 4.3Å; Y156-V237 HydrophobicContact CG-CG2 3.97Å; Y156-F456 HydrophobicContact CD2-CE1 4.34Å; Y156-F456 AromaticContact CE2-CE1 3.92Å; Y156-F456 HydrophobicContact CE2-CE1 3.92Å
157	M	84.4	Confident	84.5	Confident	36 Å²	36	75.7 Å²	75.7	18%	0.177	38%	0.38	C	S	.	.	H	α-helix	trans	-83.1	-24.2	175.7	-66.7	-173	-72.5	0	0	113.3	L153 M154 P159 Y160 S161 F164 M230 I233	L153-M157 HydrophobicContact CB-CE 4.37Å; L153-M157 WeakPolarHBondContact O-CG 3.43Å; L153-M157 PolarHBondContact O-N 3.21Å; L153-M157 VanDerWaalsContact O-N 3.08Å; M154-M157 HydrophobicContact CB-CE 4.49Å; M154-M157 HydrophobicContact CG-CE 4.01Å; M154-M157 CarbonylContact O-C 3.33Å; M154-M157 PolarHBondContact O-N 2.84Å; M154-M157 VanDerWaalsContact O-N 3.15Å; M157-P159 VanDerWaalsContact C-CD 3.44Å; M157-Y160 CarbonylContact O-C 3.56Å; M157-Y160 WeakPolarHBondContact O-CA 3.19Å; M157-Y160 PolarHBondContact O-N 2.97Å; M157-S161 PolarHBondContact O-N 3.25Å; M157-F164 HydrophobicContact CB-CE2 3.97Å; M157-F164 HydrophobicContact CG-CE2 4.2Å; M157-F164 HydrophobicContact CG-CZ 4.29Å; M157-F164 HydrophobicContact SD-CE2 4.44Å; M157-F164 HydrophobicContact SD-CZ 4.07Å; M157-M230 HydrophobicContact SD-CE 4.25Å; M157-I233 HydrophobicContact CG-CD1 4.01Å
158	L	85.8	Confident	85.4	Confident	122 Å²	122	71.3 Å²	71.3	64%	0.639	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-55.8	-41.7	-174.7	-166.1	73.6	0	0	0	114.5	M154 Y160 S161	M154-L158 WeakPolarHBondContact O-CB 3.41Å; M154-L158 PolarHBondContact O-N 3.14Å; L158-Y160 PolarHBondContact O-N 2.81Å; L158-Y160 VanDerWaalsContact O-N 3.11Å; L158-S161 VanDerWaalsContact O-CB 3.26Å; L158-S161 WeakPolarHBondContact O-CB 3.34Å; L158-S161 PolarHBondContact O-N 3.11Å; L158-S161 PolarHBondContact O-OG 2.99Å
159	P	88.5	Confident	86.1	Confident	98 Å²	98	70.5 Å²	70.5	64%	0.636	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-59.5	-22.9	176.4	-23.6	35.3	0	0	0	113.5	G155 Y156 M157	G155-P159 WeakPolarHBondContact O-CD 3.39Å; Y156-P159 WeakPolarHBondContact O-CD 3.41Å; M157-P159 VanDerWaalsContact C-CD 3.44Å
160	Y	87.6	Confident	86.7	Confident	57 Å²	57	71.5 Å²	71.5	22%	0.224	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-104	13.7	-179.6	-54.7	-76.8	0	0	0	113.1	M157 L158 T162 R163 F164 T229 L232 I233	M157-Y160 CarbonylContact O-C 3.56Å; M157-Y160 WeakPolarHBondContact O-CA 3.19Å; M157-Y160 PolarHBondContact O-N 2.97Å; L158-Y160 PolarHBondContact O-N 2.81Å; L158-Y160 VanDerWaalsContact O-N 3.11Å; Y160-T162 PolarHBondContact O-N 3.4Å; Y160-T162 VanDerWaalsContact O-N 3.15Å; Y160-R163 WeakPolarHBondContact O-CB 3.43Å; Y160-R163 PolarHBondContact O-N 3.07Å; Y160-F164 WeakPolarHBondContact O-CD2 3.21Å; Y160-F164 PolarHBondContact O-N 3.46Å; Y160-T229 HydrophobicContact CD1-CG2 4.21Å; Y160-T229 HydrophobicContact CG-CG2 3.92Å; Y160-L232 HydrophobicContact CE1-CD1 4.23Å; Y160-I233 HydrophobicContact CD2-CD1 3.97Å; Y160-I233 HydrophobicContact CD2-CG1 3.64Å; Y160-I233 HydrophobicContact CE2-CD1 4.48Å; Y160-I233 HydrophobicContact CE2-CG1 3.66Å
161	S	87	Confident	87.3	Confident	51 Å²	51	68.5 Å²	68.5	36%	0.357	36%	0.362	S	S	.	.	H	α-helix	trans	-53	-37.1	-176.8	50.8	0	0	0	0	113.9	M157 L158 R163 F164 I165	M157-S161 PolarHBondContact O-N 3.25Å; L158-S161 VanDerWaalsContact O-CB 3.26Å; L158-S161 WeakPolarHBondContact O-CB 3.34Å; L158-S161 PolarHBondContact O-N 3.11Å; L158-S161 PolarHBondContact O-OG 2.99Å; S161-R163 VanDerWaalsContact C-N 3.33Å; S161-R163 PolarHBondContact O-N 3.17Å; S161-F164 PolarHBondContact O-N 3.37Å; S161-I165 WeakPolarHBondContact O-CG1 3.28Å; S161-I165 PolarHBondContact O-N 2.88Å
162	T	89.7	Confident	87.6	Confident	97 Å²	97	64.8 Å²	64.8	60%	0.595	35%	0.351	S	S	*	.	H	α-helix	trans	-61.5	-39.6	175.7	53.6	0	0	0	0	112.5	Y160 I165 V166	Y160-T162 PolarHBondContact O-N 3.4Å; Y160-T162 VanDerWaalsContact O-N 3.15Å; T162-I165 PolarHBondContact O-N 3.48Å; T162-V166 WeakPolarHBondContact O-CG2 3.39Å; T162-V166 PolarHBondContact O-N 3.12Å; T162-V166 VanDerWaalsContact O-N 3.13Å
163	R	91.3	Very high	88	Confident	97 Å²	97	64.8 Å²	64.8	37%	0.366	36%	0.358	S	S	.	.	H	α-helix	trans	-68.3	-39.7	176.8	-59.7	-172.4	-178.4	-176	-0.6	111.5	Y160 S161 I165 V166 V167 T225 T229 L232	Y160-R163 WeakPolarHBondContact O-CB 3.43Å; Y160-R163 PolarHBondContact O-N 3.07Å; S161-R163 VanDerWaalsContact C-N 3.33Å; S161-R163 PolarHBondContact O-N 3.17Å; R163-I165 VanDerWaalsContact C-N 3.33Å; R163-I165 PolarHBondContact O-N 3.32Å; R163-V166 WeakPolarHBondContact O-CB 3.43Å; R163-V166 PolarHBondContact O-N 3.46Å; R163-V167 WeakPolarHBondContact O-CG2 3.17Å; R163-V167 PolarHBondContact O-N 3.04Å; R163-T225 HydrophobicContact CB-CG2 4.49Å; R163-T229 HydrophobicContact CB-CG2 4.37Å; R163-T229 WeakPolarHBondContact CD-OG1 3.21Å; R163-L232 VanDerWaalsContact NH1-CD1 3.34Å
164	F	88.6	Confident	88.4	Confident	40 Å²	40	64.4 Å²	64.4	18%	0.175	36%	0.356	C	S	.	.	H	α-helix	trans	-65.2	-35	175.1	-78.1	-73.3	0	0	0	112.8	M157 Y160 S161 V167 L168 Y226 T229 M230 I233	M157-F164 HydrophobicContact CB-CE2 3.97Å; M157-F164 HydrophobicContact CG-CE2 4.2Å; M157-F164 HydrophobicContact CG-CZ 4.29Å; M157-F164 HydrophobicContact SD-CE2 4.44Å; M157-F164 HydrophobicContact SD-CZ 4.07Å; Y160-F164 WeakPolarHBondContact O-CD2 3.21Å; Y160-F164 PolarHBondContact O-N 3.46Å; S161-F164 PolarHBondContact O-N 3.37Å; F164-V167 PolarHBondContact O-N 3.44Å; F164-L168 WeakPolarHBondContact O-CB 3.26Å; F164-L168 PolarHBondContact O-N 3.14Å; F164-Y226 HydrophobicContact CE1-CD2 4.19Å; F164-Y226 AromaticContact CE1-CE2 3.92Å; F164-Y226 HydrophobicContact CE1-CE2 3.92Å; F164-T229 HydrophobicContact CE2-CG2 4.09Å; F164-T229 HydrophobicContact CZ-CG2 4.34Å; F164-M230 HydrophobicContact CE1-CE 4.46Å; F164-M230 HydrophobicContact CZ-CE 4.22Å; F164-M230 HydrophobicContact CZ-SD 4.29Å; F164-I233 HydrophobicContact CE2-CD1 4.06Å; F164-I233 HydrophobicContact CZ-CD1 4.1Å
165	I	90.4	Very high	88.8	Confident	115 Å²	115	59.3 Å²	59.3	59%	0.59	33%	0.331	S	S	*	.	H	α-helix	trans	-64.1	-43.2	172.8	-67.5	164.8	0	0	0	110.6	S161 T162 R163 L168 A169	S161-I165 WeakPolarHBondContact O-CG1 3.28Å; S161-I165 PolarHBondContact O-N 2.88Å; T162-I165 PolarHBondContact O-N 3.48Å; R163-I165 VanDerWaalsContact C-N 3.33Å; R163-I165 PolarHBondContact O-N 3.32Å; I165-L168 PolarHBondContact O-N 3.45Å; I165-A169 PolarHBondContact O-N 3.07Å
166	V	92.1	Very high	88.9	Confident	74 Å²	74	63.7 Å²	63.7	45%	0.448	34%	0.335	S	S	.	.	H	α-helix	trans	-61.8	-45.5	175.4	172.4	0	0	0	0	111.1	T162 R163 L168 A169 L170	T162-V166 WeakPolarHBondContact O-CG2 3.39Å; T162-V166 PolarHBondContact O-N 3.12Å; T162-V166 VanDerWaalsContact O-N 3.13Å; R163-V166 WeakPolarHBondContact O-CB 3.43Å; R163-V166 PolarHBondContact O-N 3.46Å; V166-L168 PolarHBondContact O-N 3.23Å; V166-A169 PolarHBondContact O-N 3.38Å; V166-L170 HydrophobicContact CG1-CD1 3.89Å; V166-L170 HydrophobicContact CG1-CG 4.34Å; V166-L170 WeakPolarHBondContact O-CG 3.3Å; V166-L170 PolarHBondContact O-N 3.22Å
167	V	91.1	Very high	89.1	Confident	5 Å²	5	60.4 Å²	60.4	3%	0.03	32%	0.323	C	S	.	.	H	α-helix	trans	-56.5	-49.4	174.7	166.5	0	0	0	0	110.6	R163 F164 A169 L170 V171 T225 Y226	R163-V167 WeakPolarHBondContact O-CG2 3.17Å; R163-V167 PolarHBondContact O-N 3.04Å; F164-V167 PolarHBondContact O-N 3.44Å; V167-A169 VanDerWaalsContact C-N 3.31Å; V167-A169 PolarHBondContact O-N 2.92Å; V167-L170 PolarHBondContact O-N 2.8Å; V167-V171 HydrophobicContact CG1-CG2 4.37Å; V167-V171 WeakPolarHBondContact O-CG2 3.38Å; V167-V171 PolarHBondContact O-N 2.86Å; V167-T225 HydrophobicContact CG2-CG2 4.03Å; V167-Y226 HydrophobicContact CG1-CD2 4.13Å
168	L	89.3	Confident	89.1	Confident	106 Å²	106	60.1 Å²	60.1	56%	0.555	32%	0.321	S	S	*	.	H	α-helix	trans	-60	-41.5	179.3	-175	66.6	0	0	0	112.1	F164 I165 V166 V171 V172	F164-L168 WeakPolarHBondContact O-CB 3.26Å; F164-L168 PolarHBondContact O-N 3.14Å; I165-L168 PolarHBondContact O-N 3.45Å; V166-L168 PolarHBondContact O-N 3.23Å; L168-V171 PolarHBondContact O-N 2.81Å; L168-V172 WeakPolarHBondContact O-CG2 3.49Å; L168-V172 PolarHBondContact O-N 3.33Å; L168-V172 VanDerWaalsContact O-N 3.12Å
169	A	90.9	Very high	89.1	Confident	49 Å²	49	54.3 Å²	54.3	41%	0.405	29%	0.291	S	S	.	.	H	α-helix	trans	-64.2	-42.9	176.1	0	0	0	0	0	112.1	I165 V166 V167 V172 L173	I165-A169 PolarHBondContact O-N 3.07Å; V166-A169 PolarHBondContact O-N 3.38Å; V167-A169 VanDerWaalsContact C-N 3.31Å; V167-A169 PolarHBondContact O-N 2.92Å; A169-V172 PolarHBondContact O-N 2.85Å; A169-L173 WeakPolarHBondContact O-CG 3.48Å; A169-L173 PolarHBondContact O-N 2.89Å
170	L	91.9	Very high	89	Confident	25 Å²	25	50 Å²	50	13%	0.131	26%	0.263	C	S	.	.	H	α-helix	trans	-65.8	-40.2	177.3	-69.8	171.1	0	0	0	112.2	V166 V167 V172 L173 S174 F218 M221 C222	V166-L170 HydrophobicContact CG1-CD1 3.89Å; V166-L170 HydrophobicContact CG1-CG 4.34Å; V166-L170 WeakPolarHBondContact O-CG 3.3Å; V166-L170 PolarHBondContact O-N 3.22Å; V167-L170 PolarHBondContact O-N 2.8Å; L170-V172 VanDerWaalsContact C-N 3.31Å; L170-V172 PolarHBondContact O-N 3.27Å; L170-L173 PolarHBondContact O-N 3.23Å; L170-S174 WeakPolarHBondContact O-CB 3.47Å; L170-S174 PolarHBondContact O-N 3.23Å; L170-S174 PolarHBondContact O-OG 2.98Å; L170-F218 HydrophobicContact CD2-CB 4.35Å; L170-F218 HydrophobicContact CD2-CD1 3.84Å; L170-F218 HydrophobicContact CD2-CG 4.37Å; L170-M221 HydrophobicContact CD1-CB 4.14Å; L170-C222 HydrophobicContact CB-CB 3.86Å; L170-C222 HydrophobicContact CD1-CB 4.31Å
171	V	90.4	Very high	88.9	Confident	8 Å²	8	50 Å²	50	5%	0.048	27%	0.266	C	S	.	.	H	α-helix	trans	-59.1	-43.3	174.2	168	0	0	0	0	111	V167 L168 S174 S175 C222 A288	V167-V171 HydrophobicContact CG1-CG2 4.37Å; V167-V171 WeakPolarHBondContact O-CG2 3.38Å; V167-V171 PolarHBondContact O-N 2.86Å; L168-V171 PolarHBondContact O-N 2.81Å; V171-S174 PolarHBondContact O-OG 3.42Å; V171-S175 WeakPolarHBondContact O-CB 3.39Å; V171-S175 PolarHBondContact O-N 2.83Å; V171-S175 PolarHBondContact O-OG 3.5Å; V171-C222 WeakPolarHBondContact CG2-SG 3.35Å; V171-A288 HydrophobicContact CG1-CB 3.54Å
172	V	89.7	Confident	89.1	Confident	59 Å²	59	47.6 Å²	47.6	36%	0.358	25%	0.25	S	C	.	.	H	α-helix	trans	-64.7	-45.8	178.2	163.9	0	0	0	0	111.1	L168 A169 L170 Y176 F292	L168-V172 WeakPolarHBondContact O-CG2 3.49Å; L168-V172 PolarHBondContact O-N 3.33Å; L168-V172 VanDerWaalsContact O-N 3.12Å; A169-V172 PolarHBondContact O-N 2.85Å; L170-V172 VanDerWaalsContact C-N 3.31Å; L170-V172 PolarHBondContact O-N 3.27Å; V172-Y176 WeakPolarHBondContact O-CB 3.48Å; V172-Y176 PolarHBondContact O-N 2.88Å; V172-F292 HydrophobicContact CG1-CE2 4.24Å; V172-F292 HydrophobicContact CG1-CZ 3.86Å; V172-F292 HydrophobicContact CG2-CE2 4.39Å
173	L	89.4	Confident	88.9	Confident	89 Å²	89	45.2 Å²	45.2	47%	0.466	23%	0.232	S	C	.	.	H	α-helix	trans	-65.7	-44	179.5	-71.9	169.6	0	0	0	112.4	A169 L170 Y176 G177 F218	A169-L173 WeakPolarHBondContact O-CG 3.48Å; A169-L173 PolarHBondContact O-N 2.89Å; L170-L173 PolarHBondContact O-N 3.23Å; L173-Y176 PolarHBondContact O-N 3.47Å; L173-G177 PolarHBondContact O-N 2.87Å; L173-F218 HydrophobicContact CB-CD2 3.97Å; L173-F218 HydrophobicContact CB-CE2 4.22Å; L173-F218 HydrophobicContact CB-CG 4.49Å
174	S	90.9	Very high	88.7	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.007	22%	0.223	C	C	.	.	H	α-helix	trans	-65.1	-46.7	178.4	69.3	0	0	0	0	111	L170 V171 Y176 G177 E178 S215	L170-S174 WeakPolarHBondContact O-CB 3.47Å; L170-S174 PolarHBondContact O-N 3.23Å; L170-S174 PolarHBondContact O-OG 2.98Å; V171-S174 PolarHBondContact O-OG 3.42Å; S174-Y176 VanDerWaalsContact C-N 3.31Å; S174-Y176 PolarHBondContact O-N 2.83Å; S174-G177 PolarHBondContact O-N 3.22Å; S174-E178 PolarHBondContact O-N 3Å; S174-S215 PolarHBondContact O-OG 3.34Å
175	S	88.8	Confident	88.6	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.5	-44.9	177.6	-62.1	0	0	0	0	111.1	V171 G177 E178 M179	V171-S175 WeakPolarHBondContact O-CB 3.39Å; V171-S175 PolarHBondContact O-N 2.83Å; V171-S175 PolarHBondContact O-OG 3.5Å; S175-G177 PolarHBondContact O-N 2.96Å; S175-E178 PolarHBondContact O-N 3.3Å; S175-M179 WeakPolarHBondContact O-CB 3.25Å; S175-M179 WeakPolarHBondContact O-CG 3.33Å; S175-M179 PolarHBondContact O-N 3.38Å
176	Y	86.4	Confident	88.5	Confident	135 Å²	135	37.7 Å²	37.7	53%	0.529	20%	0.201	S	C	.	.	H	α-helix	trans	-60	-45.5	179.1	-179.4	-98.4	0	0	0	112.5	V172 L173 S174 M179 A180 F292 F296	V172-Y176 WeakPolarHBondContact O-CB 3.48Å; V172-Y176 PolarHBondContact O-N 2.88Å; L173-Y176 PolarHBondContact O-N 3.47Å; S174-Y176 VanDerWaalsContact C-N 3.31Å; S174-Y176 PolarHBondContact O-N 2.83Å; Y176-M179 PolarHBondContact O-N 3.32Å; Y176-A180 PolarHBondContact O-N 2.69Å; Y176-F292 HydrophobicContact CD2-CE1 4.48Å; Y176-F296 HydrophobicContact CD2-CZ 4.38Å; Y176-F296 HydrophobicContact CE2-CZ 4.1Å
177	G	86.3	Confident	88	Confident	4 Å²	4	39.6 Å²	39.6	4%	0.041	20%	0.2	C	C	.	.	H	α-helix	trans	-68.4	-35.7	179.7	0	0	0	0	0	113.3	L173 S174 S175 A180 S215	L173-G177 PolarHBondContact O-N 2.87Å; S174-G177 PolarHBondContact O-N 3.22Å; S175-G177 PolarHBondContact O-N 2.96Å; G177-A180 WeakPolarHBondContact O-CB 2.89Å; G177-A180 PolarHBondContact O-N 3.13Å; G177-S215 VanDerWaalsContact C-OG 3.26Å; G177-S215 WeakPolarHBondContact CA-OG 3.46Å
178	E	85.2	Confident	87.6	Confident	31 Å²	31	40.8 Å²	40.8	15%	0.145	21%	0.205	C	C	.	.	H	α-helix	trans	-67	-38.4	173.5	-70.6	-179.1	106.4	0	0	111.8	S174 S175 A180 I181 S215 R289	S174-E178 PolarHBondContact O-N 3Å; S175-E178 PolarHBondContact O-N 3.3Å; E178-A180 PolarHBondContact O-N 3.35Å; E178-I181 WeakPolarHBondContact O-CB 3.31Å; E178-I181 PolarHBondContact O-N 3.38Å; E178-I181 VanDerWaalsContact O-N 3.17Å; E178-S215 PolarHBondContact N-OG 3.29Å; E178-R289 VanDerWaalsContact CD-CZ 3.43Å; E178-R289 IonicContact OE1-CZ 3.49Å; E178-R289 VanDerWaalsContact OE1-CZ 3.28Å; E178-R289 IonicContact OE1-NH1 3.39Å; E178-R289 PolarHBondContact OE1-NH1 3.22Å; E178-R289 IonicContact OE1-NH2 3.53Å; E178-R289 PolarHBondContact OE1-NH2 3.05Å; E178-R289 IonicContact OE2-CZ 3.62Å; E178-R289 IonicContact OE2-NE 3.43Å; E178-R289 IonicContact OE2-NH1 2.69Å; E178-R289 PolarHBondContact OE2-NH1 2.95Å; E178-R289 IonicContact OE2-NH2 3.35Å; E178-R289 PolarHBondContact OE2-NH2 3.02Å
179	M	86.3	Confident	87.3	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69.5	-14.8	177.7	-67.9	-44.8	117.9	0	0	113.4	S175 Y176 I181 P182 R289 F292 L293 F296 Y427	S175-M179 WeakPolarHBondContact O-CB 3.25Å; S175-M179 WeakPolarHBondContact O-CG 3.33Å; S175-M179 PolarHBondContact O-N 3.38Å; Y176-M179 PolarHBondContact O-N 3.32Å; M179-I181 VanDerWaalsContact C-N 3.29Å; M179-P182 WeakPolarHBondContact O-CD 3.4Å; M179-R289 HydrophobicContact CE-CG 4.35Å; M179-F292 HydrophobicContact CG-CB 3.92Å; M179-L293 HydrophobicContact CE-CD2 4.28Å; M179-L293 HydrophobicContact CE-CG 4.28Å; M179-L293 HydrophobicContact SD-CD1 4.39Å; M179-L293 HydrophobicContact SD-CD2 3.27Å; M179-L293 WeakPolarHBondContact SD-CD2 3.46Å; M179-L293 HydrophobicContact SD-CG 3.54Å; M179-L293 VanDerWaalsContact SD-CG 3.54Å; M179-F296 HydrophobicContact CB-CD2 3.77Å; M179-F296 HydrophobicContact CB-CE2 3.55Å; M179-F296 HydrophobicContact CB-CZ 4.35Å; M179-F296 HydrophobicContact CG-CD2 4.21Å; M179-F296 HydrophobicContact CG-CE2 4.24Å; M179-Y427 HydrophobicContact CB-CE1 4.42Å; M179-Y427 VanDerWaalsContact O-CE1 3.27Å; M179-Y427 WeakPolarHBondContact O-CE1 3.44Å; M179-Y427 PolarHBondContact O-OH 3.45Å; M179-Y427 HydrophobicContact SD-CE1 4.39Å
180	A	85	Confident	86.8	Confident	7 Å²	7	35.8 Å²	35.8	6%	0.058	18%	0.175	C	C	.	.	H	α-helix	trans	-70.6	-27.4	172.8	0	0	0	0	0	112.2	Y176 G177 E178 Q183 Y184 L211	Y176-A180 PolarHBondContact O-N 2.69Å; G177-A180 WeakPolarHBondContact O-CB 2.89Å; G177-A180 PolarHBondContact O-N 3.13Å; E178-A180 PolarHBondContact O-N 3.35Å; A180-Q183 PolarHBondContact O-N 3.26Å; A180-Y184 HydrophobicContact CB-CD2 4.08Å; A180-Y184 HydrophobicContact CB-CE2 4.06Å; A180-Y184 VanDerWaalsContact O-CD2 3.23Å; A180-Y184 WeakPolarHBondContact O-CD2 3.18Å; A180-Y184 PolarHBondContact O-N 3.05Å; A180-L211 HydrophobicContact CB-CD1 3.62Å
181	I	87	Confident	86.2	Confident	56 Å²	56	37.6 Å²	37.6	29%	0.287	18%	0.18	S	C	.	.	H	α-helix	trans	-60.9	-50.8	-172.6	-59.4	167.9	0	0	0	112.1	E178 M179 Q183 Y184 T185	E178-I181 WeakPolarHBondContact O-CB 3.31Å; E178-I181 PolarHBondContact O-N 3.38Å; E178-I181 VanDerWaalsContact O-N 3.17Å; M179-I181 VanDerWaalsContact C-N 3.29Å; I181-Q183 VanDerWaalsContact C-N 3.3Å; I181-Q183 PolarHBondContact O-N 3.32Å; I181-Y184 PolarHBondContact O-N 3.18Å; I181-T185 WeakPolarHBondContact O-CB 3.1Å; I181-T185 PolarHBondContact O-N 3.18Å; I181-T185 PolarHBondContact O-OG1 2.86Å
182	P	90	Very high	85.5	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.013	21%	0.206	C	C	.	.	H	α-helix	trans	-58.4	-39.4	177.3	-27.7	38.1	0	0	0	113.5	M179 T185 G186 S423 L426 Y427	M179-P182 WeakPolarHBondContact O-CD 3.4Å; P182-T185 WeakPolarHBondContact O-CB 3.43Å; P182-T185 PolarHBondContact O-N 3.42Å; P182-G186 PolarHBondContact O-N 3.34Å; P182-S423 PolarHBondContact O-OG 3.37Å; P182-S423 VanDerWaalsContact O-OG 3.11Å; P182-L426 HydrophobicContact CB-CB 3.78Å; P182-L426 HydrophobicContact CB-CD1 4.33Å; P182-L426 HydrophobicContact CG-CB 4.22Å; P182-Y427 HydrophobicContact CB-CD1 3.75Å; P182-Y427 HydrophobicContact CB-CD2 4.2Å; P182-Y427 HydrophobicContact CB-CE1 3.53Å; P182-Y427 HydrophobicContact CB-CE2 3.99Å; P182-Y427 HydrophobicContact CB-CG 4.08Å; P182-Y427 HydrophobicContact CG-CD1 3.72Å; P182-Y427 HydrophobicContact CG-CE1 3.54Å; P182-Y427 HydrophobicContact CG-CG 4.47Å
183	Q	86.7	Confident	84.7	Confident	47 Å²	47	44.9 Å²	44.9	22%	0.22	22%	0.215	C	C	.	.	H	α-helix	trans	-65.5	-44.9	178.8	-178.9	173.5	24.2	0	0	112.6	A180 I181 T185 G186 R187 Y427	A180-Q183 PolarHBondContact O-N 3.26Å; I181-Q183 VanDerWaalsContact C-N 3.3Å; I181-Q183 PolarHBondContact O-N 3.32Å; Q183-T185 VanDerWaalsContact C-N 3.3Å; Q183-G186 PolarHBondContact O-N 3.1Å; Q183-R187 PolarHBondContact O-N 2.75Å; Q183-Y427 VanDerWaalsContact CB-OH 3.31Å; Q183-Y427 WeakPolarHBondContact CB-OH 3.41Å; Q183-Y427 PolarHBondContact N-OH 3.45Å
184	Y	86.3	Confident	84	Confident	47 Å²	47	45.4 Å²	45.4	18%	0.184	22%	0.218	C	C	.	.	H	α-helix	trans	-68.4	-32.6	175.6	-78.2	-74.2	0	0	0	111.9	A180 I181 R187 M188 A204 I207 M208 L211	A180-Y184 HydrophobicContact CB-CD2 4.08Å; A180-Y184 HydrophobicContact CB-CE2 4.06Å; A180-Y184 VanDerWaalsContact O-CD2 3.23Å; A180-Y184 WeakPolarHBondContact O-CD2 3.18Å; A180-Y184 PolarHBondContact O-N 3.05Å; I181-Y184 PolarHBondContact O-N 3.18Å; Y184-R187 PolarHBondContact O-N 2.97Å; Y184-M188 WeakPolarHBondContact O-CB 3.43Å; Y184-M188 PolarHBondContact O-N 3.11Å; Y184-A204 HydrophobicContact CD1-CB 4.17Å; Y184-I207 HydrophobicContact CE1-CD1 4.47Å; Y184-I207 HydrophobicContact CE1-CG2 4.13Å; Y184-I207 HydrophobicContact CE2-CG2 3.84Å; Y184-M208 VanDerWaalsContact CB-CG 3.45Å; Y184-M208 VanDerWaalsContact CB-SD 3.52Å; Y184-M208 HydrophobicContact CD2-CG 4.24Å; Y184-M208 HydrophobicContact CG-CG 3.93Å; Y184-L211 HydrophobicContact CE2-CD1 3.96Å
185	T	87.4	Confident	82.8	Confident	47 Å²	47	54 Å²	54	29%	0.288	26%	0.258	S	S	.	.	H	α-helix	trans	-63.3	-42.9	174	-55.3	0	0	0	0	111.2	I181 P182 Q183 M188 A189 V422 L426	I181-T185 WeakPolarHBondContact O-CB 3.1Å; I181-T185 PolarHBondContact O-N 3.18Å; I181-T185 PolarHBondContact O-OG1 2.86Å; P182-T185 WeakPolarHBondContact O-CB 3.43Å; P182-T185 PolarHBondContact O-N 3.42Å; Q183-T185 VanDerWaalsContact C-N 3.3Å; T185-M188 WeakPolarHBondContact O-CB 3.29Å; T185-M188 PolarHBondContact O-N 2.82Å; T185-A189 PolarHBondContact O-N 2.95Å; T185-V422 HydrophobicContact CG2-CG1 4.37Å; T185-L426 HydrophobicContact CG2-CD1 3.68Å
186	G	86.6	Confident	81.5	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65	-45.8	174.2	0	0	0	0	0	113.7	P182 Q183 M188 A189 D190 G419 S423	P182-G186 PolarHBondContact O-N 3.34Å; Q183-G186 PolarHBondContact O-N 3.1Å; G186-M188 PolarHBondContact O-N 2.88Å; G186-A189 WeakPolarHBondContact O-CA 3.4Å; G186-A189 WeakPolarHBondContact O-CB 3.23Å; G186-A189 PolarHBondContact O-N 3.14Å; G186-D190 PolarHBondContact O-N 3.11Å; G186-G419 WeakPolarHBondContact CA-O 3.42Å; G186-G419 WeakPolarHBondContact O-CA 3.47Å; G186-S423 VanDerWaalsContact CA-OG 3.26Å; G186-S423 WeakPolarHBondContact CA-OG 3.29Å
187	R	83.1	Confident	80.4	Confident	114 Å²	114	56.4 Å²	56.4	43%	0.43	29%	0.285	S	S	.	.	H	α-helix	trans	-56.5	-39.6	174.1	-75.1	-176.3	177.7	169	-0.1	112.1	Q183 Y184 A189 D190 W191	Q183-R187 PolarHBondContact O-N 2.75Å; Y184-R187 PolarHBondContact O-N 2.97Å; R187-A189 VanDerWaalsContact C-N 3.34Å; R187-D190 PolarHBondContact O-N 3.09Å; R187-W191 PolarHBondContact O-N 2.89Å
188	M	81.9	Confident	79.6	Confident	30 Å²	30	61.3 Å²	61.3	15%	0.148	32%	0.317	C	S	.	.	H	α-helix	trans	-64.7	-39.1	175.9	-167.1	-170.8	-98.8	0	0	111.8	Y184 T185 G186 W191 I192 F201 I205 M208	Y184-M188 WeakPolarHBondContact O-CB 3.43Å; Y184-M188 PolarHBondContact O-N 3.11Å; T185-M188 WeakPolarHBondContact O-CB 3.29Å; T185-M188 PolarHBondContact O-N 2.82Å; G186-M188 PolarHBondContact O-N 2.88Å; M188-W191 PolarHBondContact O-N 3.47Å; M188-I192 HydrophobicContact CG-CD1 4.26Å; M188-I192 WeakPolarHBondContact O-CG1 3.43Å; M188-I192 PolarHBondContact O-N 3.4Å; M188-F201 HydrophobicContact CE-CD2 3.81Å; M188-F201 HydrophobicContact CE-CE2 3.39Å; M188-F201 HydrophobicContact CE-CZ 3.82Å; M188-F201 HydrophobicContact CG-CD2 3.82Å; M188-F201 HydrophobicContact CG-CE2 3.66Å; M188-F201 HydrophobicContact SD-CD2 4.24Å; M188-F201 HydrophobicContact SD-CE2 3.56Å; M188-F201 VanDerWaalsContact SD-CE2 3.56Å; M188-F201 HydrophobicContact SD-CZ 4.27Å; M188-I205 HydrophobicContact CE-CD1 3.61Å; M188-I205 HydrophobicContact CE-CG1 3.21Å; M188-M208 HydrophobicContact CE-CE 3.65Å
189	A	82.9	Confident	79.1	Confident	22 Å²	22	65.2 Å²	65.2	18%	0.182	34%	0.338	C	S	.	.	H	α-helix	trans	-62	-42.4	174.3	0	0	0	0	0	111.9	T185 G186 R187 I192 I193 V422	T185-A189 PolarHBondContact O-N 2.95Å; G186-A189 WeakPolarHBondContact O-CA 3.4Å; G186-A189 WeakPolarHBondContact O-CB 3.23Å; G186-A189 PolarHBondContact O-N 3.14Å; R187-A189 VanDerWaalsContact C-N 3.34Å; A189-I192 PolarHBondContact O-N 3.39Å; A189-I193 WeakPolarHBondContact O-CD1 3.27Å; A189-I193 VanDerWaalsContact O-CG1 3.26Å; A189-I193 WeakPolarHBondContact O-CG1 3.4Å; A189-I193 PolarHBondContact O-N 3.14Å; A189-V422 HydrophobicContact CB-CB 4.48Å; A189-V422 HydrophobicContact CB-CG2 4.2Å
190	D	80.9	Confident	78.4	Confident	27 Å²	27	66.6 Å²	66.6	14%	0.144	35%	0.349	C	S	.	.	H	α-helix	trans	-63.7	-39.2	174.8	-78.3	-27.1	0	0	0	112.4	G186 R187 I193 N194 S417 S418 G419	G186-D190 PolarHBondContact O-N 3.11Å; R187-D190 PolarHBondContact O-N 3.09Å; D190-I193 PolarHBondContact O-N 3.2Å; D190-N194 WeakPolarHBondContact O-CB 3.48Å; D190-N194 PolarHBondContact O-N 3.09Å; D190-N194 PolarHBondContact O-ND2 3.34Å; D190-S417 PolarHBondContact OD1-OG 3.29Å; D190-S417 WeakPolarHBondContact OD2-CB 3.37Å; D190-S417 PolarHBondContact OD2-OG 3.29Å; D190-S418 PolarHBondContact OD1-N 3.44Å; D190-S418 PolarHBondContact OD1-OG 3.03Å; D190-G419 VanDerWaalsContact CG-N 3.28Å; D190-G419 WeakPolarHBondContact OD1-CA 3.49Å; D190-G419 PolarHBondContact OD1-N 3.32Å; D190-G419 WeakPolarHBondContact OD2-CA 3.24Å; D190-G419 PolarHBondContact OD2-N 3.11Å
191	W	78.1	Confident	78.1	Confident	63 Å²	63	70.3 Å²	70.3	24%	0.239	37%	0.365	C	S	.	.	H	α-helix	trans	-67.7	-40	177.5	-69.7	-24.2	0	0	0	113.9	R187 M188 I193 N194 E195 A200 A204	R187-W191 PolarHBondContact O-N 2.89Å; M188-W191 PolarHBondContact O-N 3.47Å; W191-I193 PolarHBondContact O-N 2.95Å; W191-N194 PolarHBondContact O-N 3.31Å; W191-E195 PolarHBondContact O-N 3.46Å; W191-E195 VanDerWaalsContact O-N 3.14Å; W191-A200 HydrophobicContact CE3-CB 4.42Å; W191-A200 HydrophobicContact CH2-CB 3.86Å; W191-A200 WeakPolarHBondContact CH2-O 3.2Å; W191-A200 HydrophobicContact CZ2-CB 3.97Å; W191-A200 HydrophobicContact CZ3-CB 4.08Å; W191-A200 WeakPolarHBondContact CZ3-O 3.41Å; W191-A204 HydrophobicContact CE3-CB 4.47Å; W191-A204 HydrophobicContact CH2-CB 3.85Å; W191-A204 HydrophobicContact CZ3-CB 3.39Å
192	I	77.1	Confident	77.7	Confident	115 Å²	115	70.5 Å²	70.5	59%	0.59	37%	0.371	S	S	*	.	H	α-helix	trans	-61.2	-36.5	175.7	-70.1	167	0	0	0	110.5	M188 A189	M188-I192 HydrophobicContact CG-CD1 4.26Å; M188-I192 WeakPolarHBondContact O-CG1 3.43Å; M188-I192 PolarHBondContact O-N 3.4Å; A189-I192 PolarHBondContact O-N 3.39Å
193	I	73.5	Confident	77.3	Confident	105 Å²	105	76.2 Å²	76.2	54%	0.538	40%	0.397	S	S	.	.	H	α-helix	trans	-75.8	-34.2	-178.9	-67.3	166.6	0	0	0	111.8	A189 D190 W191 S418	A189-I193 WeakPolarHBondContact O-CD1 3.27Å; A189-I193 VanDerWaalsContact O-CG1 3.26Å; A189-I193 WeakPolarHBondContact O-CG1 3.4Å; A189-I193 PolarHBondContact O-N 3.14Å; D190-I193 PolarHBondContact O-N 3.2Å; W191-I193 PolarHBondContact O-N 2.95Å; I193-S418 WeakPolarHBondContact CD1-OG 3.5Å
194	N	73.3	Confident	77	Confident	100 Å²	100	74.1 Å²	74.1	54%	0.535	39%	0.388	S	S	.	.	H	α-helix	trans	-96.5	3.3	-174.5	-65.9	-32.6	0	0	0	114.8	D190 W191 E196	D190-N194 WeakPolarHBondContact O-CB 3.48Å; D190-N194 PolarHBondContact O-N 3.09Å; D190-N194 PolarHBondContact O-ND2 3.34Å; W191-N194 PolarHBondContact O-N 3.31Å; N194-E196 HydrophobicContact CB-CG 4.31Å; N194-E196 PolarHBondContact O-N 2.99Å
195	E	65.4	Low	76.9	Confident	183 Å²	183	75 Å²	75	86%	0.855	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	36.1	179.9	-66.4	-174.6	171.4	0	0	114.5	W191	W191-E195 PolarHBondContact O-N 3.46Å; W191-E195 VanDerWaalsContact O-N 3.14Å
196	E	62.4	Low	76.9	Confident	120 Å²	120	76.8 Å²	76.8	56%	0.561	41%	0.406	S	S	*	.			trans	-80.9	154.3	178.4	-70.7	-174.5	163.9	0	0	112.7	N194	N194-E196 HydrophobicContact CB-CG 4.31Å; N194-E196 PolarHBondContact O-N 2.99Å
197	A	63.7	Low	76.9	Confident	64 Å²	64	80 Å²	80	53%	0.529	42%	0.423	S	S	.	.			trans	-42	137.2	-164.8	0	0	0	0	0	116.8	D199 A200	A197-D199 PolarHBondContact O-N 3.32Å; A197-A200 PolarHBondContact O-N 2.99Å
198	P	68.9	Low	77	Confident	108 Å²	108	75.9 Å²	75.9	70%	0.701	41%	0.409	S	S	*	.	H	α-helix	trans	-61.4	-21.6	-175.6	23.3	-33.5	0	0	0	114.8	A200 F201 S202	P198-A200 PolarHBondContact O-N 2.99Å; P198-F201 PolarHBondContact O-N 3.43Å; P198-S202 PolarHBondContact O-N 2.99Å
199	D	73.9	Confident	77.3	Confident	113 Å²	113	78.5 Å²	78.5	60%	0.604	43%	0.426	S	S	*	.	H	α-helix	trans	-66	-37.2	178.9	-66.5	-28.4	0	0	0	112.2	A197 S202 Q203	A197-D199 PolarHBondContact O-N 3.32Å; D199-S202 PolarHBondContact O-N 3.19Å; D199-S202 PolarHBondContact O-OG 2.95Å; D199-Q203 WeakPolarHBondContact O-CG 3.32Å; D199-Q203 PolarHBondContact O-N 3.04Å; D199-Q203 VanDerWaalsContact O-N 3.09Å
200	A	72.9	Confident	77.7	Confident	28 Å²	28	81.9 Å²	81.9	23%	0.231	45%	0.445	C	S	.	.	H	α-helix	trans	-66	-39.9	178.9	0	0	0	0	0	111.7	W191 A197 P198 Q203 A204	W191-A200 HydrophobicContact CE3-CB 4.42Å; W191-A200 HydrophobicContact CH2-CB 3.86Å; W191-A200 WeakPolarHBondContact CH2-O 3.2Å; W191-A200 HydrophobicContact CZ2-CB 3.97Å; W191-A200 HydrophobicContact CZ3-CB 4.08Å; W191-A200 WeakPolarHBondContact CZ3-O 3.41Å; A197-A200 PolarHBondContact O-N 2.99Å; P198-A200 PolarHBondContact O-N 2.99Å; A200-Q203 PolarHBondContact O-N 3.05Å; A200-A204 PolarHBondContact O-N 3.04Å
201	F	77.1	Confident	78.1	Confident	86 Å²	86	82.9 Å²	82.9	38%	0.377	45%	0.45	S	S	.	.	H	α-helix	trans	-59.1	-47.6	175	179.5	-93.4	0	0	0	111.8	M188 P198 Q203 A204 I205	M188-F201 HydrophobicContact CE-CD2 3.81Å; M188-F201 HydrophobicContact CE-CE2 3.39Å; M188-F201 HydrophobicContact CE-CZ 3.82Å; M188-F201 HydrophobicContact CG-CD2 3.82Å; M188-F201 HydrophobicContact CG-CE2 3.66Å; M188-F201 HydrophobicContact SD-CD2 4.24Å; M188-F201 HydrophobicContact SD-CE2 3.56Å; M188-F201 VanDerWaalsContact SD-CE2 3.56Å; M188-F201 HydrophobicContact SD-CZ 4.27Å; P198-F201 PolarHBondContact O-N 3.43Å; F201-Q203 VanDerWaalsContact C-N 3.3Å; F201-Q203 PolarHBondContact O-N 3.09Å; F201-A204 PolarHBondContact O-N 3.47Å; F201-I205 HydrophobicContact CD1-CD1 4.01Å; F201-I205 HydrophobicContact CE1-CD1 3.34Å; F201-I205 HydrophobicContact CE1-CG1 4.37Å; F201-I205 HydrophobicContact CE2-CD1 4.36Å; F201-I205 HydrophobicContact CZ-CD1 3.55Å; F201-I205 PolarHBondContact O-N 3.27Å; F201-I205 VanDerWaalsContact O-N 3.1Å
202	S	80.2	Confident	78.6	Confident	60 Å²	60	82.9 Å²	82.9	42%	0.42	46%	0.457	S	S	.	.	H	α-helix	trans	-62.3	-37.5	177.4	80.4	0	0	0	0	112.4	P198 D199 T206	P198-S202 PolarHBondContact O-N 2.99Å; D199-S202 PolarHBondContact O-N 3.19Å; D199-S202 PolarHBondContact O-OG 2.95Å; S202-T206 WeakPolarHBondContact O-CB 3.47Å; S202-T206 PolarHBondContact O-N 2.92Å; S202-T206 PolarHBondContact O-OG1 2.76Å
203	Q	81.1	Confident	79.3	Confident	122 Å²	122	84.6 Å²	84.6	57%	0.57	46%	0.46	S	S	*	.	H	α-helix	trans	-66.8	-44.2	177.2	-72.6	175.7	15.7	0	0	111.8	D199 A200 F201 T206 I207	D199-Q203 WeakPolarHBondContact O-CG 3.32Å; D199-Q203 PolarHBondContact O-N 3.04Å; D199-Q203 VanDerWaalsContact O-N 3.09Å; A200-Q203 PolarHBondContact O-N 3.05Å; F201-Q203 VanDerWaalsContact C-N 3.3Å; F201-Q203 PolarHBondContact O-N 3.09Å; Q203-T206 PolarHBondContact O-N 3.26Å; Q203-I207 VanDerWaalsContact O-CG1 3.28Å; Q203-I207 WeakPolarHBondContact O-CG1 3.5Å; Q203-I207 PolarHBondContact O-N 2.77Å
204	A	80.6	Confident	80.2	Confident	2 Å²	2	81.1 Å²	81.1	2%	0.017	45%	0.447	C	S	.	.	H	α-helix	trans	-64.7	-41.3	177.1	0	0	0	0	0	112.7	Y184 W191 A200 F201 T206 I207 M208	Y184-A204 HydrophobicContact CD1-CB 4.17Å; W191-A204 HydrophobicContact CE3-CB 4.47Å; W191-A204 HydrophobicContact CH2-CB 3.85Å; W191-A204 HydrophobicContact CZ3-CB 3.39Å; A200-A204 PolarHBondContact O-N 3.04Å; F201-A204 PolarHBondContact O-N 3.47Å; A204-T206 VanDerWaalsContact C-N 3.32Å; A204-T206 PolarHBondContact O-N 3.17Å; A204-I207 PolarHBondContact O-N 3.02Å; A204-M208 WeakPolarHBondContact O-CB 3.14Å; A204-M208 VanDerWaalsContact O-CG 3.3Å; A204-M208 WeakPolarHBondContact O-CG 3.48Å; A204-M208 PolarHBondContact O-N 2.98Å
205	I	84.4	Confident	81	Confident	65 Å²	65	76.5 Å²	76.5	33%	0.333	42%	0.423	S	S	.	.	H	α-helix	trans	-61.4	-43.3	174.1	-70	-175.5	0	0	0	110.9	M188 F201 I207 M208 T209	M188-I205 HydrophobicContact CE-CD1 3.61Å; M188-I205 HydrophobicContact CE-CG1 3.21Å; F201-I205 HydrophobicContact CD1-CD1 4.01Å; F201-I205 HydrophobicContact CE1-CD1 3.34Å; F201-I205 HydrophobicContact CE1-CG1 4.37Å; F201-I205 HydrophobicContact CE2-CD1 4.36Å; F201-I205 HydrophobicContact CZ-CD1 3.55Å; F201-I205 PolarHBondContact O-N 3.27Å; F201-I205 VanDerWaalsContact O-N 3.1Å; I205-I207 PolarHBondContact O-N 3.19Å; I205-M208 HydrophobicContact CG1-CE 4.01Å; I205-M208 PolarHBondContact O-N 3.43Å; I205-T209 WeakPolarHBondContact O-CB 3.23Å; I205-T209 PolarHBondContact O-N 2.87Å; I205-T209 PolarHBondContact O-OG1 3.48Å
206	T	86.4	Confident	82.3	Confident	85 Å²	85	70.1 Å²	70.1	52%	0.521	40%	0.402	S	S	.	.	H	α-helix	trans	-61.8	-46.1	179	-57	0	0	0	0	110.7	S202 Q203 A204 T209 V210	S202-T206 WeakPolarHBondContact O-CB 3.47Å; S202-T206 PolarHBondContact O-N 2.92Å; S202-T206 PolarHBondContact O-OG1 2.76Å; Q203-T206 PolarHBondContact O-N 3.26Å; A204-T206 VanDerWaalsContact C-N 3.32Å; A204-T206 PolarHBondContact O-N 3.17Å; T206-T209 PolarHBondContact O-N 3.12Å; T206-V210 VanDerWaalsContact O-CG2 3.31Å; T206-V210 WeakPolarHBondContact O-CG2 3.42Å; T206-V210 PolarHBondContact O-N 2.92Å
207	I	86.1	Confident	83.8	Confident	69 Å²	69	67.3 Å²	67.3	35%	0.354	39%	0.392	S	S	.	.	H	α-helix	trans	-62.9	-46.1	176.8	-67.2	165.1	0	0	0	111	Y184 Q203 A204 I205 T209 V210 L211	Y184-I207 HydrophobicContact CE1-CD1 4.47Å; Y184-I207 HydrophobicContact CE1-CG2 4.13Å; Y184-I207 HydrophobicContact CE2-CG2 3.84Å; Q203-I207 VanDerWaalsContact O-CG1 3.28Å; Q203-I207 WeakPolarHBondContact O-CG1 3.5Å; Q203-I207 PolarHBondContact O-N 2.77Å; A204-I207 PolarHBondContact O-N 3.02Å; I205-I207 PolarHBondContact O-N 3.19Å; I207-T209 VanDerWaalsContact C-N 3.31Å; I207-T209 PolarHBondContact O-N 3.47Å; I207-V210 PolarHBondContact O-N 3.46Å; I207-L211 HydrophobicContact CG2-CD1 3.69Å; I207-L211 HydrophobicContact CG2-CG 4.18Å; I207-L211 WeakPolarHBondContact O-CB 3.29Å; I207-L211 VanDerWaalsContact O-CG 3.32Å; I207-L211 WeakPolarHBondContact O-CG 3.38Å; I207-L211 PolarHBondContact O-N 3.11Å
208	M	85.6	Confident	85.2	Confident	27 Å²	27	67.7 Å²	67.7	13%	0.133	38%	0.382	C	S	.	.	H	α-helix	trans	-58.9	-43	176.4	-76.1	-170.3	-64.5	0	0	111.7	Y184 M188 A204 I205 T212	Y184-M208 VanDerWaalsContact CB-CG 3.45Å; Y184-M208 VanDerWaalsContact CB-SD 3.52Å; Y184-M208 HydrophobicContact CD2-CG 4.24Å; Y184-M208 HydrophobicContact CG-CG 3.93Å; M188-M208 HydrophobicContact CE-CE 3.65Å; A204-M208 WeakPolarHBondContact O-CB 3.14Å; A204-M208 VanDerWaalsContact O-CG 3.3Å; A204-M208 WeakPolarHBondContact O-CG 3.48Å; A204-M208 PolarHBondContact O-N 2.98Å; I205-M208 HydrophobicContact CG1-CE 4.01Å; I205-M208 PolarHBondContact O-N 3.43Å; M208-T212 VanDerWaalsContact O-CB 3.24Å; M208-T212 WeakPolarHBondContact O-CB 3.36Å; M208-T212 PolarHBondContact O-N 3.13Å; M208-T212 PolarHBondContact O-OG1 2.73Å
209	T	88.3	Confident	86.2	Confident	85 Å²	85	65.1 Å²	65.1	52%	0.521	36%	0.361	S	S	.	.	H	α-helix	trans	-64.4	-46.4	179	-54.9	0	0	0	0	111	I205 T206 I207 T212 F213	I205-T209 WeakPolarHBondContact O-CB 3.23Å; I205-T209 PolarHBondContact O-N 2.87Å; I205-T209 PolarHBondContact O-OG1 3.48Å; T206-T209 PolarHBondContact O-N 3.12Å; I207-T209 VanDerWaalsContact C-N 3.31Å; I207-T209 PolarHBondContact O-N 3.47Å; T209-T212 PolarHBondContact O-N 3.29Å; T209-F213 WeakPolarHBondContact O-CB 3.48Å; T209-F213 PolarHBondContact O-N 2.71Å
210	V	90.9	Very high	87.1	Confident	93 Å²	93	65.8 Å²	65.8	56%	0.564	36%	0.359	S	S	*	.	H	α-helix	trans	-63.6	-45.2	178.3	171.4	0	0	0	0	111.2	T206 I207 F213 A214	T206-V210 VanDerWaalsContact O-CG2 3.31Å; T206-V210 WeakPolarHBondContact O-CG2 3.42Å; T206-V210 PolarHBondContact O-N 2.92Å; I207-V210 PolarHBondContact O-N 3.46Å; V210-F213 PolarHBondContact O-N 3.28Å; V210-A214 VanDerWaalsContact O-CB 3.28Å; V210-A214 WeakPolarHBondContact O-CB 3.48Å; V210-A214 PolarHBondContact O-N 3.15Å
211	L	89.8	Confident	88.1	Confident	47 Å²	47	67.9 Å²	67.9	25%	0.246	36%	0.364	C	S	.	.	H	α-helix	trans	-65.5	-41.1	178	-72.3	175.6	0	0	0	111.9	A180 Y184 I207 A214 S215	A180-L211 HydrophobicContact CB-CD1 3.62Å; Y184-L211 HydrophobicContact CE2-CD1 3.96Å; I207-L211 HydrophobicContact CG2-CD1 3.69Å; I207-L211 HydrophobicContact CG2-CG 4.18Å; I207-L211 WeakPolarHBondContact O-CB 3.29Å; I207-L211 VanDerWaalsContact O-CG 3.32Å; I207-L211 WeakPolarHBondContact O-CG 3.38Å; I207-L211 PolarHBondContact O-N 3.11Å; L211-A214 PolarHBondContact O-N 3.05Å; L211-S215 WeakPolarHBondContact O-CB 3.26Å; L211-S215 PolarHBondContact O-N 3.24Å; L211-S215 PolarHBondContact O-OG 2.95Å
212	T	88.6	Confident	88.8	Confident	64 Å²	64	63.9 Å²	63.9	39%	0.393	35%	0.347	S	S	.	.	H	α-helix	trans	-63.7	-45.6	177.6	-57.3	0	0	0	0	110.7	M208 T209 S215 A216	M208-T212 VanDerWaalsContact O-CB 3.24Å; M208-T212 WeakPolarHBondContact O-CB 3.36Å; M208-T212 PolarHBondContact O-N 3.13Å; M208-T212 PolarHBondContact O-OG1 2.73Å; T209-T212 PolarHBondContact O-N 3.29Å; T212-S215 PolarHBondContact O-N 2.91Å; T212-A216 WeakPolarHBondContact O-CB 3.35Å; T212-A216 PolarHBondContact O-N 2.9Å
213	F	91.8	Very high	89.2	Confident	150 Å²	150	64.1 Å²	64.1	66%	0.658	34%	0.344	S	S	*	.	H	α-helix	trans	-63.6	-45.7	176.6	-173.1	-99.1	0	0	0	111.6	T209 V210 A216 V217	T209-F213 WeakPolarHBondContact O-CB 3.48Å; T209-F213 PolarHBondContact O-N 2.71Å; V210-F213 PolarHBondContact O-N 3.28Å; F213-A216 PolarHBondContact O-N 3.43Å; F213-V217 HydrophobicContact CD1-CG2 4.29Å; F213-V217 HydrophobicContact CE1-CG2 3.93Å; F213-V217 HydrophobicContact CZ-CG2 4.13Å; F213-V217 WeakPolarHBondContact O-CG2 3.41Å; F213-V217 PolarHBondContact O-N 2.86Å
214	A	92.3	Very high	89.7	Confident	32 Å²	32	62.3 Å²	62.3	26%	0.264	34%	0.337	S	S	.	.	H	α-helix	trans	-61.3	-45.5	177.5	0	0	0	0	0	112.2	V210 L211 V217 F218	V210-A214 VanDerWaalsContact O-CB 3.28Å; V210-A214 WeakPolarHBondContact O-CB 3.48Å; V210-A214 PolarHBondContact O-N 3.15Å; L211-A214 PolarHBondContact O-N 3.05Å; A214-V217 PolarHBondContact O-N 3.17Å; A214-F218 HydrophobicContact CB-CE2 4.37Å; A214-F218 VanDerWaalsContact O-CD2 3.24Å; A214-F218 WeakPolarHBondContact O-CD2 3.19Å; A214-F218 WeakPolarHBondContact O-CG 3.38Å; A214-F218 PolarHBondContact O-N 3.37Å
215	S	91.6	Very high	90.2	Very high	3 Å²	3	64.2 Å²	64.2	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-60.5	-44.1	175.4	-79.7	0	0	0	0	112.3	S174 G177 E178 L211 T212 V217 F218 E219	S174-S215 PolarHBondContact O-OG 3.34Å; G177-S215 VanDerWaalsContact C-OG 3.26Å; G177-S215 WeakPolarHBondContact CA-OG 3.46Å; E178-S215 PolarHBondContact N-OG 3.29Å; L211-S215 WeakPolarHBondContact O-CB 3.26Å; L211-S215 PolarHBondContact O-N 3.24Å; L211-S215 PolarHBondContact O-OG 2.95Å; T212-S215 PolarHBondContact O-N 2.91Å; S215-V217 VanDerWaalsContact C-N 3.33Å; S215-V217 PolarHBondContact O-N 3.38Å; S215-F218 PolarHBondContact O-N 3.18Å; S215-E219 WeakPolarHBondContact O-CB 3.38Å; S215-E219 PolarHBondContact O-N 3.02Å
216	A	91.3	Very high	90.5	Very high	50 Å²	50	61.1 Å²	61.1	41%	0.413	33%	0.333	S	S	.	.	H	α-helix	trans	-62.4	-39.1	177.2	0	0	0	0	0	112.1	T212 F213 F220	T212-A216 WeakPolarHBondContact O-CB 3.35Å; T212-A216 PolarHBondContact O-N 2.9Å; F213-A216 PolarHBondContact O-N 3.43Å; A216-F220 WeakPolarHBondContact O-CB 3.4Å; A216-F220 PolarHBondContact O-N 2.78Å
217	V	94.4	Very high	90.7	Very high	60 Å²	60	61 Å²	61	36%	0.364	33%	0.329	S	S	.	.	H	α-helix	trans	-66.3	-43.2	174.3	174.8	0	0	0	0	111.3	F213 A214 S215 F220 M221	F213-V217 HydrophobicContact CD1-CG2 4.29Å; F213-V217 HydrophobicContact CE1-CG2 3.93Å; F213-V217 HydrophobicContact CZ-CG2 4.13Å; F213-V217 WeakPolarHBondContact O-CG2 3.41Å; F213-V217 PolarHBondContact O-N 2.86Å; A214-V217 PolarHBondContact O-N 3.17Å; S215-V217 VanDerWaalsContact C-N 3.33Å; S215-V217 PolarHBondContact O-N 3.38Å; V217-F220 PolarHBondContact O-N 2.9Å; V217-M221 HydrophobicContact CG1-CG 4.37Å; V217-M221 WeakPolarHBondContact O-CB 3.47Å; V217-M221 VanDerWaalsContact O-CG 3.27Å; V217-M221 WeakPolarHBondContact O-CG 3.44Å; V217-M221 PolarHBondContact O-N 3Å
218	F	93	Very high	90.9	Very high	73 Å²	73	61.1 Å²	61.1	32%	0.32	33%	0.333	S	S	.	.	H	α-helix	trans	-65.6	-39	177.7	-66.9	-37.6	0	0	0	112.6	L170 L173 A214 S215 M221 C222	L170-F218 HydrophobicContact CD2-CB 4.35Å; L170-F218 HydrophobicContact CD2-CD1 3.84Å; L170-F218 HydrophobicContact CD2-CG 4.37Å; L173-F218 HydrophobicContact CB-CD2 3.97Å; L173-F218 HydrophobicContact CB-CE2 4.22Å; L173-F218 HydrophobicContact CB-CG 4.49Å; A214-F218 HydrophobicContact CB-CE2 4.37Å; A214-F218 VanDerWaalsContact O-CD2 3.24Å; A214-F218 WeakPolarHBondContact O-CD2 3.19Å; A214-F218 WeakPolarHBondContact O-CG 3.38Å; A214-F218 PolarHBondContact O-N 3.37Å; S215-F218 PolarHBondContact O-N 3.18Å; F218-M221 PolarHBondContact O-N 3.48Å; F218-C222 WeakPolarHBondContact O-CB 3.31Å; F218-C222 PolarHBondContact O-N 2.9Å
219	E	90.7	Very high	91.1	Very high	54 Å²	54	60 Å²	60	25%	0.252	33%	0.327	S	S	.	.	H	α-helix	trans	-62.3	-48.8	173.8	-174.3	176.8	-169.1	0	0	110.9	S215 M221 C222 D223 W285	S215-E219 WeakPolarHBondContact O-CB 3.38Å; S215-E219 PolarHBondContact O-N 3.02Å; E219-M221 PolarHBondContact O-N 3.2Å; E219-C222 WeakPolarHBondContact O-CB 3.39Å; E219-C222 PolarHBondContact O-N 3.15Å; E219-C222 VanDerWaalsContact O-N 3.17Å; E219-D223 PolarHBondContact O-N 3.05Å; E219-W285 VanDerWaalsContact OE1-CZ2 3.31Å; E219-W285 WeakPolarHBondContact OE1-CZ2 3.26Å
220	F	92.6	Very high	91.1	Very high	127 Å²	127	56.1 Å²	56.1	56%	0.557	30%	0.304	S	S	*	.	H	α-helix	trans	-58.8	-44.7	175.8	175	-107.3	0	0	0	112.6	A216 V217 C222 L224	A216-F220 WeakPolarHBondContact O-CB 3.4Å; A216-F220 PolarHBondContact O-N 2.78Å; V217-F220 PolarHBondContact O-N 2.9Å; F220-C222 VanDerWaalsContact C-N 3.35Å; F220-L224 HydrophobicContact CE1-CD2 4.42Å; F220-L224 HydrophobicContact CZ-CD2 4.38Å; F220-L224 VanDerWaalsContact O-CB 3.22Å; F220-L224 WeakPolarHBondContact O-CB 3.33Å; F220-L224 PolarHBondContact O-N 3Å
221	M	93.2	Very high	90.9	Very high	71 Å²	71	55 Å²	55	35%	0.35	30%	0.3	S	S	.	.	H	α-helix	trans	-65.2	-38.2	176.6	-72.5	-69.3	100	0	0	112.5	L170 V217 F218 E219 L224 T225	L170-M221 HydrophobicContact CD1-CB 4.14Å; V217-M221 HydrophobicContact CG1-CG 4.37Å; V217-M221 WeakPolarHBondContact O-CB 3.47Å; V217-M221 VanDerWaalsContact O-CG 3.27Å; V217-M221 WeakPolarHBondContact O-CG 3.44Å; V217-M221 PolarHBondContact O-N 3Å; F218-M221 PolarHBondContact O-N 3.48Å; E219-M221 PolarHBondContact O-N 3.2Å; M221-L224 HydrophobicContact CE-CD2 4.06Å; M221-T225 VanDerWaalsContact O-CB 3.26Å; M221-T225 WeakPolarHBondContact O-CB 3.03Å; M221-T225 PolarHBondContact O-N 3.09Å; M221-T225 PolarHBondContact O-OG1 3.49Å
222	C	91.3	Very high	90.8	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.02	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-56	175.5	175.6	0	0	0	0	110.6	L170 V171 F218 E219 F220 L224 T225 Y226	L170-C222 HydrophobicContact CB-CB 3.86Å; L170-C222 HydrophobicContact CD1-CB 4.31Å; V171-C222 WeakPolarHBondContact CG2-SG 3.35Å; F218-C222 WeakPolarHBondContact O-CB 3.31Å; F218-C222 PolarHBondContact O-N 2.9Å; E219-C222 WeakPolarHBondContact O-CB 3.39Å; E219-C222 PolarHBondContact O-N 3.15Å; E219-C222 VanDerWaalsContact O-N 3.17Å; F220-C222 VanDerWaalsContact C-N 3.35Å; C222-L224 VanDerWaalsContact C-N 3.34Å; C222-L224 PolarHBondContact O-N 3.16Å; C222-T225 PolarHBondContact O-N 3.15Å; C222-Y226 VanDerWaalsContact O-CB 3.24Å; C222-Y226 WeakPolarHBondContact O-CB 3.43Å; C222-Y226 PolarHBondContact O-N 2.8Å
223	D	89.9	Confident	90.7	Very high	64 Å²	64	53.6 Å²	53.6	34%	0.342	29%	0.29	S	S	.	.	H	α-helix	trans	-61.4	-42.3	-178.4	-81.3	-8	0	0	0	111.8	E219 N227	E219-D223 PolarHBondContact O-N 3.05Å; D223-N227 VanDerWaalsContact O-CB 3.25Å; D223-N227 WeakPolarHBondContact O-CB 3.36Å; D223-N227 VanDerWaalsContact O-CG 3.3Å; D223-N227 PolarHBondContact O-N 2.89Å; D223-N227 PolarHBondContact O-ND2 2.72Å
224	L	91.1	Very high	90.4	Very high	84 Å²	84	48.3 Å²	48.3	44%	0.44	27%	0.267	S	S	.	.	H	α-helix	trans	-61.9	-49.8	176.5	-176.9	64.5	0	0	0	111.3	F220 M221 C222 Y226 V228	F220-L224 HydrophobicContact CE1-CD2 4.42Å; F220-L224 HydrophobicContact CZ-CD2 4.38Å; F220-L224 VanDerWaalsContact O-CB 3.22Å; F220-L224 WeakPolarHBondContact O-CB 3.33Å; F220-L224 PolarHBondContact O-N 3Å; M221-L224 HydrophobicContact CE-CD2 4.06Å; C222-L224 VanDerWaalsContact C-N 3.34Å; C222-L224 PolarHBondContact O-N 3.16Å; L224-Y226 VanDerWaalsContact C-N 3.33Å; L224-Y226 PolarHBondContact O-N 3.25Å; L224-V228 HydrophobicContact CD1-CG2 4.25Å; L224-V228 WeakPolarHBondContact O-CB 3.38Å; L224-V228 VanDerWaalsContact O-CG2 3.24Å; L224-V228 WeakPolarHBondContact O-CG2 3.37Å; L224-V228 PolarHBondContact O-N 3.45Å
225	T	91.6	Very high	90.1	Very high	42 Å²	42	51 Å²	51	26%	0.258	28%	0.28	S	S	.	.	H	α-helix	trans	-63.3	-41.8	-178.8	-57.8	0	0	0	0	111.3	R163 V167 M221 C222 T229	R163-T225 HydrophobicContact CB-CG2 4.49Å; V167-T225 HydrophobicContact CG2-CG2 4.03Å; M221-T225 VanDerWaalsContact O-CB 3.26Å; M221-T225 WeakPolarHBondContact O-CB 3.03Å; M221-T225 PolarHBondContact O-N 3.09Å; M221-T225 PolarHBondContact O-OG1 3.49Å; C222-T225 PolarHBondContact O-N 3.15Å; T225-T229 VanDerWaalsContact O-CB 3.3Å; T225-T229 WeakPolarHBondContact O-CB 3.44Å; T225-T229 PolarHBondContact O-N 3.18Å; T225-T229 VanDerWaalsContact O-N 3.09Å; T225-T229 PolarHBondContact O-OG1 2.91Å
226	Y	90.9	Very high	89.9	Confident	1 Å²	1	53.8 Å²	53.8	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-66.1	-51.7	179.4	179.1	-87.2	0	0	0	111.5	F164 V167 C222 L224 V228 T229 M230 L276 S277 S281 M284	F164-Y226 HydrophobicContact CE1-CD2 4.19Å; F164-Y226 AromaticContact CE1-CE2 3.92Å; F164-Y226 HydrophobicContact CE1-CE2 3.92Å; V167-Y226 HydrophobicContact CG1-CD2 4.13Å; C222-Y226 VanDerWaalsContact O-CB 3.24Å; C222-Y226 WeakPolarHBondContact O-CB 3.43Å; C222-Y226 PolarHBondContact O-N 2.8Å; L224-Y226 VanDerWaalsContact C-N 3.33Å; L224-Y226 PolarHBondContact O-N 3.25Å; Y226-V228 PolarHBondContact O-N 3.35Å; Y226-T229 PolarHBondContact O-N 3.45Å; Y226-T229 VanDerWaalsContact O-N 3.15Å; Y226-M230 HydrophobicContact CD1-CG 4.35Å; Y226-M230 HydrophobicContact CE1-CB 4.45Å; Y226-M230 HydrophobicContact CE1-CG 3.71Å; Y226-M230 HydrophobicContact CE2-CE 4.31Å; Y226-M230 HydrophobicContact CE2-CG 4.17Å; Y226-M230 PolarHBondContact O-N 3.43Å; Y226-M230 WeakPolarHBondContact OH-CE 3.44Å; Y226-L276 PolarHBondContact OH-O 2.97Å; Y226-S277 WeakPolarHBondContact CE1-O 3.24Å; Y226-S277 PolarHBondContact OH-O 3.04Å; Y226-S281 VanDerWaalsContact CE1-CB 3.44Å; Y226-S281 PolarHBondContact OH-N 3.44Å; Y226-M284 HydrophobicContact CD2-CE 3.94Å; Y226-M284 HydrophobicContact CE2-CE 3.43Å; Y226-M284 VanDerWaalsContact CE2-CE 3.43Å
227	N	89.1	Confident	89.6	Confident	82 Å²	82	51.6 Å²	51.6	44%	0.439	28%	0.281	S	S	.	.	H	α-helix	trans	-64.3	-40.5	-177.6	-75.1	-44.5	0	0	0	112.3	D223 T229 M230 S231	D223-N227 VanDerWaalsContact O-CB 3.25Å; D223-N227 WeakPolarHBondContact O-CB 3.36Å; D223-N227 VanDerWaalsContact O-CG 3.3Å; D223-N227 PolarHBondContact O-N 2.89Å; D223-N227 PolarHBondContact O-ND2 2.72Å; N227-T229 VanDerWaalsContact C-N 3.35Å; N227-T229 PolarHBondContact O-N 3.43Å; N227-M230 PolarHBondContact O-N 2.86Å; N227-S231 WeakPolarHBondContact O-CB 3.45Å; N227-S231 PolarHBondContact O-N 3.08Å
228	V	90.3	Very high	89.2	Confident	72 Å²	72	51.4 Å²	51.4	44%	0.436	28%	0.277	S	S	.	.	H	α-helix	trans	-62.7	-42.9	173.9	170.8	0	0	0	0	111	L224 Y226 S231 L232	L224-V228 HydrophobicContact CD1-CG2 4.25Å; L224-V228 WeakPolarHBondContact O-CB 3.38Å; L224-V228 VanDerWaalsContact O-CG2 3.24Å; L224-V228 WeakPolarHBondContact O-CG2 3.37Å; L224-V228 PolarHBondContact O-N 3.45Å; Y226-V228 PolarHBondContact O-N 3.35Å; V228-S231 PolarHBondContact O-N 3.37Å; V228-L232 WeakPolarHBondContact O-CG 3.41Å; V228-L232 PolarHBondContact O-N 2.87Å
229	T	90.8	Very high	88.9	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.012	28%	0.281	C	S	.	.	H	α-helix	trans	-65.6	-42.6	179.3	-59.1	0	0	0	0	111.4	Y160 R163 F164 T225 Y226 N227 L232 I233	Y160-T229 HydrophobicContact CD1-CG2 4.21Å; Y160-T229 HydrophobicContact CG-CG2 3.92Å; R163-T229 HydrophobicContact CB-CG2 4.37Å; R163-T229 WeakPolarHBondContact CD-OG1 3.21Å; F164-T229 HydrophobicContact CE2-CG2 4.09Å; F164-T229 HydrophobicContact CZ-CG2 4.34Å; T225-T229 VanDerWaalsContact O-CB 3.3Å; T225-T229 WeakPolarHBondContact O-CB 3.44Å; T225-T229 PolarHBondContact O-N 3.18Å; T225-T229 VanDerWaalsContact O-N 3.09Å; T225-T229 PolarHBondContact O-OG1 2.91Å; Y226-T229 PolarHBondContact O-N 3.45Å; Y226-T229 VanDerWaalsContact O-N 3.15Å; N227-T229 VanDerWaalsContact C-N 3.35Å; N227-T229 PolarHBondContact O-N 3.43Å; T229-L232 PolarHBondContact O-N 2.9Å; T229-I233 HydrophobicContact CG2-CD1 4.13Å; T229-I233 WeakPolarHBondContact O-CG1 3.09Å; T229-I233 PolarHBondContact O-N 2.56Å; T229-I233 VanDerWaalsContact O-N 3.15Å
230	M	88.3	Confident	88.8	Confident	5 Å²	5	48.5 Å²	48.5	3%	0.025	28%	0.279	C	S	.	.	H	α-helix	trans	-68.6	-35.1	177	-80	-55.7	-151.7	0	0	113.2	M157 F164 Y226 N227 L232 I233 H234 L276 L280	M157-M230 HydrophobicContact SD-CE 4.25Å; F164-M230 HydrophobicContact CE1-CE 4.46Å; F164-M230 HydrophobicContact CZ-CE 4.22Å; F164-M230 HydrophobicContact CZ-SD 4.29Å; Y226-M230 HydrophobicContact CD1-CG 4.35Å; Y226-M230 HydrophobicContact CE1-CB 4.45Å; Y226-M230 HydrophobicContact CE1-CG 3.71Å; Y226-M230 HydrophobicContact CE2-CE 4.31Å; Y226-M230 HydrophobicContact CE2-CG 4.17Å; Y226-M230 PolarHBondContact O-N 3.43Å; Y226-M230 WeakPolarHBondContact OH-CE 3.44Å; N227-M230 PolarHBondContact O-N 2.86Å; M230-L232 VanDerWaalsContact C-N 3.33Å; M230-L232 PolarHBondContact O-N 2.94Å; M230-I233 PolarHBondContact O-N 2.84Å; M230-I233 HydrophobicContact SD-CD1 3.77Å; M230-H234 WeakPolarHBondContact O-CB 3.36Å; M230-H234 PolarHBondContact O-N 3.18Å; M230-L276 HydrophobicContact CE-CD2 4.27Å; M230-L276 HydrophobicContact CE-CG 4.16Å; M230-L276 WeakPolarHBondContact CE-O 3.38Å; M230-L280 HydrophobicContact CE-CD2 4.06Å
231	S	87.2	Confident	88.6	Confident	69 Å²	69	42.6 Å²	42.6	48%	0.483	25%	0.253	S	S	.	.	H	α-helix	trans	-61.5	-39.7	173.3	-178.4	0	0	0	0	112.2	N227 V228 H234 T235	N227-S231 WeakPolarHBondContact O-CB 3.45Å; N227-S231 PolarHBondContact O-N 3.08Å; V228-S231 PolarHBondContact O-N 3.37Å; S231-H234 WeakPolarHBondContact O-CB 3.45Å; S231-H234 PolarHBondContact O-N 3.04Å; S231-T235 PolarHBondContact O-N 2.9Å; S231-T235 VanDerWaalsContact O-N 3.08Å; S231-T235 PolarHBondContact O-OG1 2.93Å
232	L	87.5	Confident	88.5	Confident	71 Å²	71	44.5 Å²	44.5	37%	0.372	26%	0.26	S	S	.	.	H	α-helix	trans	-65.3	-42.4	174.8	-68.6	169.8	0	0	0	112.5	Y160 R163 V228 T229 M230 H234 S236	Y160-L232 HydrophobicContact CE1-CD1 4.23Å; R163-L232 VanDerWaalsContact NH1-CD1 3.34Å; V228-L232 WeakPolarHBondContact O-CG 3.41Å; V228-L232 PolarHBondContact O-N 2.87Å; T229-L232 PolarHBondContact O-N 2.9Å; M230-L232 VanDerWaalsContact C-N 3.33Å; M230-L232 PolarHBondContact O-N 2.94Å; L232-H234 VanDerWaalsContact C-N 3.32Å; L232-S236 WeakPolarHBondContact O-CB 3.11Å; L232-S236 PolarHBondContact O-N 3.02Å
233	I	86.9	Confident	88.4	Confident	10 Å²	10	49.3 Å²	49.3	5%	0.051	28%	0.282	C	S	.	.	H	α-helix	trans	-62.2	-44.2	176.2	-67.5	160.5	0	0	0	109.8	M157 Y160 F164 T229 M230 S236 V237	M157-I233 HydrophobicContact CG-CD1 4.01Å; Y160-I233 HydrophobicContact CD2-CD1 3.97Å; Y160-I233 HydrophobicContact CD2-CG1 3.64Å; Y160-I233 HydrophobicContact CE2-CD1 4.48Å; Y160-I233 HydrophobicContact CE2-CG1 3.66Å; F164-I233 HydrophobicContact CE2-CD1 4.06Å; F164-I233 HydrophobicContact CZ-CD1 4.1Å; T229-I233 HydrophobicContact CG2-CD1 4.13Å; T229-I233 WeakPolarHBondContact O-CG1 3.09Å; T229-I233 PolarHBondContact O-N 2.56Å; T229-I233 VanDerWaalsContact O-N 3.15Å; M230-I233 PolarHBondContact O-N 2.84Å; M230-I233 HydrophobicContact SD-CD1 3.77Å; I233-S236 PolarHBondContact O-N 2.72Å; I233-V237 HydrophobicContact CG2-CG2 4.24Å; I233-V237 WeakPolarHBondContact O-CG2 3.19Å; I233-V237 PolarHBondContact O-N 3.41Å
234	H	85.6	Confident	88.4	Confident	39 Å²	39	47 Å²	47	18%	0.181	27%	0.271	C	S	.	.	H	α-helix	trans	-54.6	-55.8	176.8	179.2	57.9	0	0	0	112	M230 S231 L232 S236 V237 Q238 N270 S273	M230-H234 WeakPolarHBondContact O-CB 3.36Å; M230-H234 PolarHBondContact O-N 3.18Å; S231-H234 WeakPolarHBondContact O-CB 3.45Å; S231-H234 PolarHBondContact O-N 3.04Å; L232-H234 VanDerWaalsContact C-N 3.32Å; H234-S236 VanDerWaalsContact C-N 3.29Å; H234-S236 PolarHBondContact O-N 2.93Å; H234-V237 PolarHBondContact O-N 2.94Å; H234-Q238 WeakPolarHBondContact O-CB 3.44Å; H234-Q238 PolarHBondContact O-N 3.41Å; H234-N270 PolarHBondContact CE1-OD1 3.46Å; H234-N270 PolarHBondContact NE2-OD1 2.91Å; H234-S273 WeakPolarHBondContact CB-OG 3.29Å; H234-S273 VanDerWaalsContact CG-OG 3.27Å; H234-S273 WeakPolarHBondContact ND1-CB 3.45Å; H234-S273 PolarHBondContact ND1-OG 2.86Å
235	T	85.8	Confident	88.4	Confident	88 Å²	88	43.3 Å²	43.3	54%	0.54	25%	0.252	S	S	.	.	H	α-helix	trans	-60.8	-39.3	-179.6	-55.7	0	0	0	0	111.8	S231 G239	S231-T235 PolarHBondContact O-N 2.9Å; S231-T235 VanDerWaalsContact O-N 3.08Å; S231-T235 PolarHBondContact O-OG1 2.93Å; T235-G239 PolarHBondContact O-N 3.11Å
236	S	86.4	Confident	88.3	Confident	63 Å²	63	46.5 Å²	46.5	44%	0.441	27%	0.268	S	S	.	.	H	α-helix	trans	-65	-44.5	177.3	-174.9	0	0	0	0	112.4	L232 I233 H234 A240	L232-S236 WeakPolarHBondContact O-CB 3.11Å; L232-S236 PolarHBondContact O-N 3.02Å; I233-S236 PolarHBondContact O-N 2.72Å; H234-S236 VanDerWaalsContact C-N 3.29Å; H234-S236 PolarHBondContact O-N 2.93Å; S236-A240 WeakPolarHBondContact O-CB 3.5Å; S236-A240 PolarHBondContact O-N 3.39Å
237	V	85.2	Confident	88.2	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.024	30%	0.298	C	S	.	.	H	α-helix	trans	-66.8	-47.5	179.1	171.2	0	0	0	0	110	Y156 I233 H234 G239 A240 V241 T269	Y156-V237 HydrophobicContact CD1-CG2 3.9Å; Y156-V237 HydrophobicContact CD2-CG2 4.43Å; Y156-V237 HydrophobicContact CE1-CG2 4.3Å; Y156-V237 HydrophobicContact CG-CG2 3.97Å; I233-V237 HydrophobicContact CG2-CG2 4.24Å; I233-V237 WeakPolarHBondContact O-CG2 3.19Å; I233-V237 PolarHBondContact O-N 3.41Å; H234-V237 PolarHBondContact O-N 2.94Å; V237-G239 VanDerWaalsContact C-N 3.32Å; V237-G239 PolarHBondContact O-N 2.94Å; V237-A240 PolarHBondContact O-N 2.98Å; V237-V241 HydrophobicContact CG1-CG2 4.25Å; V237-V241 VanDerWaalsContact O-CG2 3.23Å; V237-V241 WeakPolarHBondContact O-CG2 3.09Å; V237-V241 PolarHBondContact O-N 2.71Å; V237-T269 HydrophobicContact CG1-CG2 4.42Å
238	Q	85.6	Confident	88.3	Confident	56 Å²	56	51.3 Å²	51.3	26%	0.262	28%	0.28	S	S	.	.	H	α-helix	trans	-60.1	-42.2	178.8	-168	179.7	23.2	0	0	111.8	H234 V241 F242 T269	H234-Q238 WeakPolarHBondContact O-CB 3.44Å; H234-Q238 PolarHBondContact O-N 3.41Å; Q238-V241 PolarHBondContact O-N 2.94Å; Q238-F242 WeakPolarHBondContact O-CB 3.42Å; Q238-F242 PolarHBondContact O-N 2.91Å; Q238-T269 HydrophobicContact CB-CG2 4.02Å; Q238-T269 HydrophobicContact CG-CG2 4.29Å
239	G	88.1	Confident	88.3	Confident	40 Å²	40	48.5 Å²	48.5	41%	0.412	26%	0.262	S	S	.	.	H	α-helix	trans	-62.6	-43.2	174.7	0	0	0	0	0	113	T235 V237 F242 Q243	T235-G239 PolarHBondContact O-N 3.11Å; V237-G239 VanDerWaalsContact C-N 3.32Å; V237-G239 PolarHBondContact O-N 2.94Å; G239-F242 PolarHBondContact O-N 3.21Å; G239-Q243 WeakPolarHBondContact O-CB 3.37Å; G239-Q243 PolarHBondContact O-N 3.39Å
240	A	88.3	Confident	88.3	Confident	26 Å²	26	51 Å²	51	22%	0.215	28%	0.275	C	S	.	.	H	α-helix	trans	-64.3	-42.2	176.9	0	0	0	0	0	112.1	S236 V237 Q243 A244 L459	S236-A240 WeakPolarHBondContact O-CB 3.5Å; S236-A240 PolarHBondContact O-N 3.39Å; V237-A240 PolarHBondContact O-N 2.98Å; A240-Q243 PolarHBondContact O-N 3.34Å; A240-A244 WeakPolarHBondContact O-CB 3.24Å; A240-A244 PolarHBondContact O-N 2.88Å; A240-L459 HydrophobicContact CB-CD2 3.96Å
241	V	88.4	Confident	88.3	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.012	29%	0.288	C	S	.	.	H	α-helix	trans	-63.8	-47.7	177.3	173.5	0	0	0	0	110.2	V237 Q238 Q243 A244 V245 I265 I455 L459	V237-V241 HydrophobicContact CG1-CG2 4.25Å; V237-V241 VanDerWaalsContact O-CG2 3.23Å; V237-V241 WeakPolarHBondContact O-CG2 3.09Å; V237-V241 PolarHBondContact O-N 2.71Å; Q238-V241 PolarHBondContact O-N 2.94Å; V241-Q243 VanDerWaalsContact C-N 3.32Å; V241-Q243 PolarHBondContact O-N 3.34Å; V241-A244 PolarHBondContact O-N 3.41Å; V241-V245 HydrophobicContact CG1-CG2 4.49Å; V241-V245 WeakPolarHBondContact O-CG2 3.48Å; V241-V245 PolarHBondContact O-N 3.06Å; V241-I265 HydrophobicContact CG1-CG1 4.28Å; V241-I455 HydrophobicContact CG1-CG2 4.48Å; V241-I455 HydrophobicContact CG2-CG2 3.32Å; V241-L459 HydrophobicContact CB-CD2 4.46Å; V241-L459 HydrophobicContact CG2-CD1 3.87Å; V241-L459 HydrophobicContact CG2-CD2 3.93Å; V241-L459 HydrophobicContact CG2-CG 3.84Å
242	F	89.8	Confident	88.4	Confident	112 Å²	112	50 Å²	50	49%	0.491	27%	0.268	S	S	.	.	H	α-helix	trans	-58.5	-45.4	177.1	-176.3	-106.6	0	0	0	111.4	Q238 G239 A244 V245 L246	Q238-F242 WeakPolarHBondContact O-CB 3.42Å; Q238-F242 PolarHBondContact O-N 2.91Å; G239-F242 PolarHBondContact O-N 3.21Å; F242-A244 PolarHBondContact O-N 3.32Å; F242-V245 PolarHBondContact O-N 2.87Å; F242-L246 HydrophobicContact CD1-CD1 3.85Å; F242-L246 HydrophobicContact CD1-CG 4.42Å; F242-L246 HydrophobicContact CE1-CD1 3.39Å; F242-L246 HydrophobicContact CE1-CG 4.12Å; F242-L246 HydrophobicContact CZ-CD1 3.83Å; F242-L246 HydrophobicContact CZ-CD2 4.32Å; F242-L246 HydrophobicContact CZ-CG 4.18Å; F242-L246 WeakPolarHBondContact O-CG 3.16Å; F242-L246 PolarHBondContact O-N 3.45Å
243	Q	90.8	Very high	88.5	Confident	104 Å²	104	49.7 Å²	49.7	49%	0.486	26%	0.264	S	S	.	.	H	α-helix	trans	-63.3	-40.5	176.2	-171.7	179.1	33	0	0	112.6	G239 A240 V241 L246 R247	G239-Q243 WeakPolarHBondContact O-CB 3.37Å; G239-Q243 PolarHBondContact O-N 3.39Å; A240-Q243 PolarHBondContact O-N 3.34Å; V241-Q243 VanDerWaalsContact C-N 3.32Å; V241-Q243 PolarHBondContact O-N 3.34Å; Q243-L246 PolarHBondContact O-N 2.64Å; Q243-R247 WeakPolarHBondContact O-CG 3.3Å; Q243-R247 PolarHBondContact O-N 3.25Å
244	A	89.8	Confident	88.5	Confident	14 Å²	14	53.6 Å²	53.6	12%	0.116	29%	0.285	C	S	.	.	H	α-helix	trans	-65.7	-40.5	177.9	0	0	0	0	0	111.8	A240 V241 F242 R247 Q248 L459	A240-A244 WeakPolarHBondContact O-CB 3.24Å; A240-A244 PolarHBondContact O-N 2.88Å; V241-A244 PolarHBondContact O-N 3.41Å; F242-A244 PolarHBondContact O-N 3.32Å; A244-R247 PolarHBondContact O-N 3.1Å; A244-Q248 WeakPolarHBondContact O-CG 3.43Å; A244-Q248 PolarHBondContact O-NE2 2.86Å; A244-L459 HydrophobicContact CB-CD2 3.96Å
245	V	89.9	Confident	88.5	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-65.1	-44.1	175.5	173.8	0	0	0	0	111	V241 F242 R247 Q248 F252 F253 I265 Y458	V241-V245 HydrophobicContact CG1-CG2 4.49Å; V241-V245 WeakPolarHBondContact O-CG2 3.48Å; V241-V245 PolarHBondContact O-N 3.06Å; F242-V245 PolarHBondContact O-N 2.87Å; V245-R247 PolarHBondContact O-N 2.93Å; V245-R247 VanDerWaalsContact O-N 3.14Å; V245-Q248 WeakPolarHBondContact O-CB 3.42Å; V245-Q248 WeakPolarHBondContact O-CG 3.4Å; V245-Q248 PolarHBondContact O-N 3.35Å; V245-F252 HydrophobicContact CG1-CE1 4.32Å; V245-F253 HydrophobicContact CG1-CE1 3.88Å; V245-F253 HydrophobicContact CG1-CZ 3.91Å; V245-F253 VanDerWaalsContact O-CZ 3.25Å; V245-F253 WeakPolarHBondContact O-CZ 3.37Å; V245-I265 HydrophobicContact CB-CD1 4.2Å; V245-I265 HydrophobicContact CG1-CD1 4.08Å; V245-I265 HydrophobicContact CG2-CD1 4.04Å; V245-I265 HydrophobicContact CG2-CG1 4.24Å; V245-Y458 HydrophobicContact CG2-CD1 4.42Å
246	L	89.8	Confident	88.4	Confident	110 Å²	110	52.5 Å²	52.5	58%	0.576	29%	0.289	S	S	*	.	H	α-helix	trans	-60.6	-23.1	177.8	-75.4	-179	0	0	0	114.2	F242 Q243	F242-L246 HydrophobicContact CD1-CD1 3.85Å; F242-L246 HydrophobicContact CD1-CG 4.42Å; F242-L246 HydrophobicContact CE1-CD1 3.39Å; F242-L246 HydrophobicContact CE1-CG 4.12Å; F242-L246 HydrophobicContact CZ-CD1 3.83Å; F242-L246 HydrophobicContact CZ-CD2 4.32Å; F242-L246 HydrophobicContact CZ-CG 4.18Å; F242-L246 WeakPolarHBondContact O-CG 3.16Å; F242-L246 PolarHBondContact O-N 3.45Å; Q243-L246 PolarHBondContact O-N 2.64Å
247	R	89.1	Confident	88.3	Confident	170 Å²	170	53.3 Å²	53.3	64%	0.642	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-8.4	178	-71.2	177.6	-178	-173	4.2	113.7	Q243 A244 V245 P463	Q243-R247 WeakPolarHBondContact O-CG 3.3Å; Q243-R247 PolarHBondContact O-N 3.25Å; A244-R247 PolarHBondContact O-N 3.1Å; V245-R247 PolarHBondContact O-N 2.93Å; V245-R247 VanDerWaalsContact O-N 3.14Å; R247-P463 WeakPolarHBondContact O-CG 3.17Å
248	Q	90.6	Very high	88.2	Confident	14 Å²	14	58.3 Å²	58.3	7%	0.065	32%	0.324	C	S	.	.	S	Bend	trans	-72.3	155.9	-179.7	-55	-54.6	-41.7	0	0	111.6	A244 V245 F252 F253 R461	A244-Q248 WeakPolarHBondContact O-CG 3.43Å; A244-Q248 PolarHBondContact O-NE2 2.86Å; V245-Q248 WeakPolarHBondContact O-CB 3.42Å; V245-Q248 WeakPolarHBondContact O-CG 3.4Å; V245-Q248 PolarHBondContact O-N 3.35Å; Q248-F252 HydrophobicContact CB-CB 4.24Å; Q248-F252 HydrophobicContact CB-CD1 3.66Å; Q248-F252 HydrophobicContact CB-CE1 4.34Å; Q248-F252 HydrophobicContact CB-CG 4.09Å; Q248-F252 HydrophobicContact CG-CD1 4.1Å; Q248-F252 HydrophobicContact CG-CE1 4.34Å; Q248-F253 HydrophobicContact CB-CE2 4.18Å; Q248-R461 PolarHBondContact NE2-O 3.4Å; Q248-R461 VanDerWaalsContact OE1-CD 3.26Å; Q248-R461 VanDerWaalsContact OE1-CG 3.3Å; Q248-R461 PolarHBondContact OE1-O 2.82Å
249	E	90.7	Very high	87.8	Confident	13 Å²	13	58.3 Å²	58.3	6%	0.061	34%	0.339	C	S	.	.			trans	-71.9	158.4	178.4	70	-80.6	-175.1	0	0	113.6	A251 F252 F253 R461 P463 Q464 I465	E249-A251 HydrophobicContact CG-CB 3.82Å; E249-A251 PolarHBondContact O-N 3.14Å; E249-F252 VanDerWaalsContact O-CB 3.32Å; E249-F252 WeakPolarHBondContact O-CB 3.35Å; E249-F252 PolarHBondContact O-N 3.27Å; E249-F253 WeakPolarHBondContact O-CD2 3.23Å; E249-R461 IonicContact OE1-CZ 3.68Å; E249-R461 VanDerWaalsContact OE1-CZ 3.28Å; E249-R461 IonicContact OE1-NH1 3.34Å; E249-R461 PolarHBondContact OE1-NH1 3.3Å; E249-R461 IonicContact OE1-NH2 2.92Å; E249-R461 PolarHBondContact OE1-NH2 2.91Å; E249-R461 IonicContact OE2-CZ 3.84Å; E249-R461 IonicContact OE2-NH1 3.52Å; E249-R461 PolarHBondContact OE2-NH1 2.96Å; E249-R461 IonicContact OE2-NH2 3.17Å; E249-P463 WeakPolarHBondContact OE2-CA 3.49Å; E249-Q464 PolarHBondContact OE2-N 3.27Å; E249-I465 HydrophobicContact CB-CD1 3.47Å; E249-I465 VanDerWaalsContact CB-CD1 3.47Å; E249-I465 HydrophobicContact CB-CG1 3.78Å; E249-I465 HydrophobicContact CG-CD1 4.34Å; E249-I465 HydrophobicContact CG-CG1 4.34Å
250	I	90.9	Very high	87.4	Confident	55 Å²	55	60 Å²	60	28%	0.282	34%	0.336	S	S	.	.	H	α-helix	trans	-59.1	-32.1	177.9	-61.7	-55.9	0	0	0	112.5	F252 F253 D254 F533 Y534	I250-F252 PolarHBondContact O-N 2.69Å; I250-F253 HydrophobicContact CD1-CD2 4.47Å; I250-F253 PolarHBondContact O-N 3.23Å; I250-D254 PolarHBondContact O-N 3.33Å; I250-F533 HydrophobicContact CB-CB 3.97Å; I250-F533 HydrophobicContact CB-CG 4.34Å; I250-F533 HydrophobicContact CD1-CD1 4.46Å; I250-F533 HydrophobicContact CG1-CB 3.76Å; I250-F533 HydrophobicContact CG1-CD1 3.61Å; I250-F533 HydrophobicContact CG1-CD2 4.3Å; I250-F533 HydrophobicContact CG1-CE1 4.26Å; I250-F533 HydrophobicContact CG1-CG 3.64Å; I250-F533 HydrophobicContact CG2-CB 4.37Å; I250-Y534 HydrophobicContact CB-CE2 4.5Å; I250-Y534 HydrophobicContact CG2-CE2 4.1Å
251	A	88.8	Confident	87.2	Confident	36 Å²	36	59.2 Å²	59.2	30%	0.298	33%	0.328	S	S	.	.	H	α-helix	trans	-56.6	-33.1	175.1	0	0	0	0	0	113.1	E249 A255 Y534	E249-A251 HydrophobicContact CG-CB 3.82Å; E249-A251 PolarHBondContact O-N 3.14Å; A251-A255 VanDerWaalsContact O-CB 3.3Å; A251-A255 WeakPolarHBondContact O-CB 3.44Å; A251-A255 PolarHBondContact O-N 3.17Å; A251-A255 VanDerWaalsContact O-N 3.13Å; A251-Y534 HydrophobicContact CB-CD1 4.35Å; A251-Y534 HydrophobicContact CB-CE1 3.61Å
252	F	89.2	Confident	87	Confident	16 Å²	16	62.9 Å²	62.9	7%	0.07	35%	0.351	C	S	.	.	H	α-helix	trans	-69.5	-40	175.6	165.5	-98.4	0	0	0	112.1	V245 Q248 E249 I250 A255 T256 L261 Y458	V245-F252 HydrophobicContact CG1-CE1 4.32Å; Q248-F252 HydrophobicContact CB-CB 4.24Å; Q248-F252 HydrophobicContact CB-CD1 3.66Å; Q248-F252 HydrophobicContact CB-CE1 4.34Å; Q248-F252 HydrophobicContact CB-CG 4.09Å; Q248-F252 HydrophobicContact CG-CD1 4.1Å; Q248-F252 HydrophobicContact CG-CE1 4.34Å; E249-F252 VanDerWaalsContact O-CB 3.32Å; E249-F252 WeakPolarHBondContact O-CB 3.35Å; E249-F252 PolarHBondContact O-N 3.27Å; I250-F252 PolarHBondContact O-N 2.69Å; F252-A255 PolarHBondContact O-N 2.93Å; F252-T256 WeakPolarHBondContact O-CB 3.37Å; F252-T256 PolarHBondContact O-N 3.39Å; F252-T256 VanDerWaalsContact O-N 3.08Å; F252-T256 PolarHBondContact O-OG1 3.13Å; F252-L261 HydrophobicContact CE1-CD1 4.34Å; F252-L261 HydrophobicContact CE1-CD2 3.65Å; F252-L261 HydrophobicContact CZ-CD2 3.42Å; F252-L261 VanDerWaalsContact CZ-CD2 3.42Å; F252-Y458 HydrophobicContact CE2-CD1 4.35Å; F252-Y458 AromaticContact CE2-CE1 3.7Å; F252-Y458 HydrophobicContact CE2-CE1 3.7Å; F252-Y458 AromaticContact CZ-CD1 3.96Å; F252-Y458 HydrophobicContact CZ-CD1 3.96Å; F252-Y458 AromaticContact CZ-CE1 3.41Å; F252-Y458 HydrophobicContact CZ-CE1 3.41Å; F252-Y458 VanDerWaalsContact CZ-CE1 3.41Å
253	F	89.6	Confident	86.4	Confident	64 Å²	64	60 Å²	60	28%	0.281	34%	0.344	S	S	.	.	H	α-helix	trans	-73.4	-33.7	177.3	-67	-79.2	0	0	0	112.8	V245 Q248 E249 I250 A255 L261	V245-F253 HydrophobicContact CG1-CE1 3.88Å; V245-F253 HydrophobicContact CG1-CZ 3.91Å; V245-F253 VanDerWaalsContact O-CZ 3.25Å; V245-F253 WeakPolarHBondContact O-CZ 3.37Å; Q248-F253 HydrophobicContact CB-CE2 4.18Å; E249-F253 WeakPolarHBondContact O-CD2 3.23Å; I250-F253 HydrophobicContact CD1-CD2 4.47Å; I250-F253 PolarHBondContact O-N 3.23Å; F253-A255 VanDerWaalsContact C-N 3.31Å; F253-L261 HydrophobicContact CD1-CD1 3.51Å; F253-L261 HydrophobicContact CE1-CD1 3.88Å
254	D	86.8	Confident	85.6	Confident	92 Å²	92	58.1 Å²	58.1	49%	0.492	33%	0.333	S	S	.	.	H	α-helix	trans	-70.3	-29.7	174.4	-77.8	-5.2	0	0	0	111.2	I250 K528 Y534	I250-D254 PolarHBondContact O-N 3.33Å; D254-K528 IonicContact OD2-NZ 3.55Å; D254-Y534 PolarHBondContact OD2-OH 2.97Å
255	A	85.3	Confident	85.2	Confident	81 Å²	81	58.6 Å²	58.6	67%	0.669	33%	0.333	S	S	*	.	H	α-helix	trans	-84.3	-24.3	178.2	0	0	0	0	0	114.2	A251 F252 F253	A251-A255 VanDerWaalsContact O-CB 3.3Å; A251-A255 WeakPolarHBondContact O-CB 3.44Å; A251-A255 PolarHBondContact O-N 3.17Å; A251-A255 VanDerWaalsContact O-N 3.13Å; F252-A255 PolarHBondContact O-N 2.93Å; F253-A255 VanDerWaalsContact C-N 3.31Å
256	T	83.3	Confident	84.7	Confident	23 Å²	23	60.7 Å²	60.7	14%	0.141	35%	0.346	C	S	.	.	S	Bend	trans	-116.3	120.2	-172.9	-43.8	0	0	0	0	110.8	F252 T258 E260 L261	F252-T256 WeakPolarHBondContact O-CB 3.37Å; F252-T256 PolarHBondContact O-N 3.39Å; F252-T256 VanDerWaalsContact O-N 3.08Å; F252-T256 PolarHBondContact O-OG1 3.13Å; T256-T258 PolarHBondContact O-N 3.38Å; T256-E260 HydrophobicContact CG2-CB 4.5Å; T256-E260 HydrophobicContact CG2-CG 4.43Å; T256-L261 HydrophobicContact CG2-CD2 3.63Å; T256-L261 HydrophobicContact CG2-CG 3.88Å
257	P	84.5	Confident	84.3	Confident	81 Å²	81	58.1 Å²	58.1	53%	0.526	34%	0.335	S	S	.	.			trans	-54.8	136.9	178.5	-25.3	33.5	0	0	0	112.8	G259 E260 L261	P257-G259 VanDerWaalsContact C-N 3.29Å; P257-G259 PolarHBondContact O-N 2.99Å; P257-E260 HydrophobicContact CB-CB 4.24Å; P257-E260 WeakPolarHBondContact O-CA 3.4Å; P257-E260 WeakPolarHBondContact O-CB 3.25Å; P257-E260 PolarHBondContact O-N 3.43Å; P257-L261 PolarHBondContact O-N 3.15Å; P257-L261 VanDerWaalsContact O-N 3.09Å
258	T	82.3	Confident	83.9	Confident	109 Å²	109	52 Å²	52	67%	0.669	32%	0.315	S	S	*	.	H	α-helix	trans	-59.8	-37.6	-177.5	-44.9	0	0	0	0	112.8	T256 E260 L261 V262	T256-T258 PolarHBondContact O-N 3.38Å; T258-E260 VanDerWaalsContact C-N 3.28Å; T258-E260 PolarHBondContact O-N 3.48Å; T258-L261 PolarHBondContact O-N 3.28Å; T258-V262 WeakPolarHBondContact O-CG2 3.32Å; T258-V262 PolarHBondContact O-N 3.44Å
259	G	78.4	Confident	83.4	Confident	55 Å²	55	51.4 Å²	51.4	57%	0.567	31%	0.312	S	S	*	.	H	α-helix	trans	-63.2	-34.8	176	0	0	0	0	0	112.8	P257 S263	P257-G259 VanDerWaalsContact C-N 3.29Å; P257-G259 PolarHBondContact O-N 2.99Å; G259-S263 WeakPolarHBondContact O-CB 3.36Å; G259-S263 PolarHBondContact O-N 2.83Å
260	E	80.1	Confident	82.9	Confident	75 Å²	75	54 Å²	54	35%	0.35	33%	0.326	S	S	.	.	H	α-helix	trans	-68.2	-42.9	174.2	-176.1	174.6	-178	0	0	111.1	T256 P257 T258 S263 R264	T256-E260 HydrophobicContact CG2-CB 4.5Å; T256-E260 HydrophobicContact CG2-CG 4.43Å; P257-E260 HydrophobicContact CB-CB 4.24Å; P257-E260 WeakPolarHBondContact O-CA 3.4Å; P257-E260 WeakPolarHBondContact O-CB 3.25Å; P257-E260 PolarHBondContact O-N 3.43Å; T258-E260 VanDerWaalsContact C-N 3.28Å; T258-E260 PolarHBondContact O-N 3.48Å; E260-S263 PolarHBondContact O-N 2.94Å; E260-R264 HydrophobicContact CG-CG 4.39Å; E260-R264 WeakPolarHBondContact O-CB 3.27Å; E260-R264 WeakPolarHBondContact O-CG 3.26Å; E260-R264 PolarHBondContact O-N 3.15Å; E260-R264 IonicContact OE1-CZ 3.91Å; E260-R264 IonicContact OE1-NE 3.52Å; E260-R264 PolarHBondContact OE1-NE 3.44Å; E260-R264 IonicContact OE1-NH2 2.78Å; E260-R264 PolarHBondContact OE1-NH2 3.11Å
261	L	82.8	Confident	82.4	Confident	10 Å²	10	55.6 Å²	55.6	5%	0.052	34%	0.335	C	S	.	.	H	α-helix	trans	-60.8	-45.5	175.2	-65.4	174.5	0	0	0	112.1	F252 F253 T256 P257 T258 R264 I265	F252-L261 HydrophobicContact CE1-CD1 4.34Å; F252-L261 HydrophobicContact CE1-CD2 3.65Å; F252-L261 HydrophobicContact CZ-CD2 3.42Å; F252-L261 VanDerWaalsContact CZ-CD2 3.42Å; F253-L261 HydrophobicContact CD1-CD1 3.51Å; F253-L261 HydrophobicContact CE1-CD1 3.88Å; T256-L261 HydrophobicContact CG2-CD2 3.63Å; T256-L261 HydrophobicContact CG2-CG 3.88Å; P257-L261 PolarHBondContact O-N 3.15Å; P257-L261 VanDerWaalsContact O-N 3.09Å; T258-L261 PolarHBondContact O-N 3.28Å; L261-R264 PolarHBondContact O-N 3.19Å; L261-I265 WeakPolarHBondContact O-CB 3.39Å; L261-I265 VanDerWaalsContact O-CG1 3.25Å; L261-I265 WeakPolarHBondContact O-CG1 3.39Å; L261-I265 PolarHBondContact O-N 3.06Å
262	V	84	Confident	82.2	Confident	80 Å²	80	54.2 Å²	54.2	49%	0.485	32%	0.323	S	S	.	.	H	α-helix	trans	-62.6	-48.8	178.3	172.9	0	0	0	0	110.5	T258 R264 I265 T266	T258-V262 WeakPolarHBondContact O-CG2 3.32Å; T258-V262 PolarHBondContact O-N 3.44Å; V262-R264 VanDerWaalsContact C-N 3.29Å; V262-R264 PolarHBondContact O-N 3.08Å; V262-I265 PolarHBondContact O-N 3.22Å; V262-T266 HydrophobicContact CG1-CG2 4.47Å; V262-T266 WeakPolarHBondContact O-CB 3.42Å; V262-T266 PolarHBondContact O-N 3.45Å; V262-T266 PolarHBondContact O-OG1 3Å
263	S	78.8	Confident	81.7	Confident	52 Å²	52	54.1 Å²	54.1	36%	0.364	32%	0.324	S	S	.	.	H	α-helix	trans	-59.4	-40.5	177.5	-173.2	0	0	0	0	111.8	G259 E260 T267 D268	G259-S263 WeakPolarHBondContact O-CB 3.36Å; G259-S263 PolarHBondContact O-N 2.83Å; E260-S263 PolarHBondContact O-N 2.94Å; S263-T267 VanDerWaalsContact O-CA 3.3Å; S263-T267 WeakPolarHBondContact O-CA 3.4Å; S263-T267 WeakPolarHBondContact O-CB 3.39Å; S263-T267 PolarHBondContact O-N 3.45Å; S263-T267 PolarHBondContact O-OG1 2.84Å; S263-T267 PolarHBondContact OG-OG1 3.08Å; S263-D268 PolarHBondContact O-N 3.39Å; S263-D268 VanDerWaalsContact O-N 3.12Å
264	R	73.6	Confident	81.1	Confident	64 Å²	64	56.6 Å²	56.6	24%	0.242	34%	0.337	C	S	.	.	I	π-helix	trans	-70.5	-37.5	178.7	-71.2	174.5	176.3	-129.8	4.6	112.8	E260 L261 V262 D268 Y458	E260-R264 HydrophobicContact CG-CG 4.39Å; E260-R264 WeakPolarHBondContact O-CB 3.27Å; E260-R264 WeakPolarHBondContact O-CG 3.26Å; E260-R264 PolarHBondContact O-N 3.15Å; E260-R264 IonicContact OE1-CZ 3.91Å; E260-R264 IonicContact OE1-NE 3.52Å; E260-R264 PolarHBondContact OE1-NE 3.44Å; E260-R264 IonicContact OE1-NH2 2.78Å; E260-R264 PolarHBondContact OE1-NH2 3.11Å; L261-R264 PolarHBondContact O-N 3.19Å; V262-R264 VanDerWaalsContact C-N 3.29Å; V262-R264 PolarHBondContact O-N 3.08Å; R264-D268 WeakPolarHBondContact O-CB 3.43Å; R264-Y458 HydrophobicContact CB-CE2 4.26Å; R264-Y458 WeakPolarHBondContact CD-OH 3.42Å; R264-Y458 PolarHBondContact NE-OH 3.33Å; R264-Y458 PolarHBondContact NH1-OH 2.85Å
265	I	80.4	Confident	80.7	Confident	24 Å²	24	53.3 Å²	53.3	12%	0.123	32%	0.323	C	S	.	.	I	π-helix	trans	-72.9	-37.3	177.6	-66.5	165.5	0	0	0	111.2	V241 V245 L261 V262 T269	V241-I265 HydrophobicContact CG1-CG1 4.28Å; V245-I265 HydrophobicContact CB-CD1 4.2Å; V245-I265 HydrophobicContact CG1-CD1 4.08Å; V245-I265 HydrophobicContact CG2-CD1 4.04Å; V245-I265 HydrophobicContact CG2-CG1 4.24Å; L261-I265 WeakPolarHBondContact O-CB 3.39Å; L261-I265 VanDerWaalsContact O-CG1 3.25Å; L261-I265 WeakPolarHBondContact O-CG1 3.39Å; L261-I265 PolarHBondContact O-N 3.06Å; V262-I265 PolarHBondContact O-N 3.22Å; I265-T269 WeakPolarHBondContact O-CB 3.37Å; I265-T269 PolarHBondContact O-OG1 2.92Å
266	T	80.1	Confident	80.5	Confident	50 Å²	50	50 Å²	50	31%	0.307	29%	0.293	S	S	.	.	I	π-helix	trans	-95.6	-69.6	-174.2	57.5	0	0	0	0	111.5	V262 T269 N270	V262-T266 HydrophobicContact CG1-CG2 4.47Å; V262-T266 WeakPolarHBondContact O-CB 3.42Å; V262-T266 PolarHBondContact O-N 3.45Å; V262-T266 PolarHBondContact O-OG1 3Å; T266-T269 PolarHBondContact O-N 3.47Å; T266-N270 WeakPolarHBondContact O-CB 3.2Å; T266-N270 PolarHBondContact O-N 3.43Å; T266-N270 PolarHBondContact O-OD1 3.25Å
267	T	80.5	Confident	80.4	Confident	57 Å²	57	50 Å²	50	35%	0.35	29%	0.294	S	S	.	.	I	π-helix	trans	-56.8	-54.4	-178.3	-40.4	0	0	0	0	112.1	S263 T269 N270 D271	S263-T267 VanDerWaalsContact O-CA 3.3Å; S263-T267 WeakPolarHBondContact O-CA 3.4Å; S263-T267 WeakPolarHBondContact O-CB 3.39Å; S263-T267 PolarHBondContact O-N 3.45Å; S263-T267 PolarHBondContact O-OG1 2.84Å; S263-T267 PolarHBondContact OG-OG1 3.08Å; T267-T269 VanDerWaalsContact C-N 3.32Å; T267-T269 PolarHBondContact O-N 3.2Å; T267-N270 PolarHBondContact O-N 2.89Å; T267-D271 WeakPolarHBondContact O-CB 3.49Å; T267-D271 VanDerWaalsContact O-CG 3.25Å; T267-D271 PolarHBondContact O-N 3.49Å
268	D	80.5	Confident	80.4	Confident	41 Å²	41	49.9 Å²	49.9	22%	0.219	29%	0.287	C	S	.	.	I	π-helix	trans	-66.2	-36.8	-175.2	-63.5	-7.9	0	0	0	111.5	S263 R264 M272	S263-D268 PolarHBondContact O-N 3.39Å; S263-D268 VanDerWaalsContact O-N 3.12Å; R264-D268 WeakPolarHBondContact O-CB 3.43Å; D268-M272 WeakPolarHBondContact O-CB 3.44Å; D268-M272 PolarHBondContact O-N 3.13Å
269	T	80.3	Confident	80.7	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-69.2	-38.6	175.7	-51	0	0	0	0	112	V237 Q238 I265 T266 T267 S273	V237-T269 HydrophobicContact CG1-CG2 4.42Å; Q238-T269 HydrophobicContact CB-CG2 4.02Å; Q238-T269 HydrophobicContact CG-CG2 4.29Å; I265-T269 WeakPolarHBondContact O-CB 3.37Å; I265-T269 PolarHBondContact O-OG1 2.92Å; T266-T269 PolarHBondContact O-N 3.47Å; T267-T269 VanDerWaalsContact C-N 3.32Å; T267-T269 PolarHBondContact O-N 3.2Å; T269-S273 WeakPolarHBondContact O-CB 3.4Å; T269-S273 PolarHBondContact O-N 3.2Å
270	N	81.5	Confident	81.1	Confident	67 Å²	67	45.6 Å²	45.6	36%	0.358	25%	0.245	S	C	.	.	H	α-helix	trans	-66	-51.4	175.1	-74.4	-3.8	0	0	0	110.4	H234 T266 T267 M272 S273 E274	H234-N270 PolarHBondContact CE1-OD1 3.46Å; H234-N270 PolarHBondContact NE2-OD1 2.91Å; T266-N270 WeakPolarHBondContact O-CB 3.2Å; T266-N270 PolarHBondContact O-N 3.43Å; T266-N270 PolarHBondContact O-OD1 3.25Å; T267-N270 PolarHBondContact O-N 2.89Å; N270-M272 VanDerWaalsContact C-N 3.31Å; N270-M272 PolarHBondContact O-N 3.41Å; N270-S273 CarbonylContact O-C 3.59Å; N270-S273 PolarHBondContact O-N 3.28Å; N270-E274 VanDerWaalsContact O-CB 3.28Å; N270-E274 WeakPolarHBondContact O-CB 3.11Å; N270-E274 PolarHBondContact O-N 3.41Å
271	D	80.7	Confident	81.4	Confident	89 Å²	89	42.7 Å²	42.7	48%	0.476	23%	0.233	S	C	.	.	H	α-helix	trans	-57.9	-44.4	178.6	-73	0.8	0	0	0	111.2	T267 A275	T267-D271 WeakPolarHBondContact O-CB 3.49Å; T267-D271 VanDerWaalsContact O-CG 3.25Å; T267-D271 PolarHBondContact O-N 3.49Å; D271-A275 WeakPolarHBondContact O-CB 3.37Å; D271-A275 PolarHBondContact O-N 2.66Å
272	M	83.1	Confident	81.7	Confident	7 Å²	7	44.1 Å²	44.1	3%	0.034	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-49	174.7	-175.5	-148.1	105.4	0	0	110.7	L153 D268 N270 L276 S452 I455	L153-M272 HydrophobicContact CD2-CE 3.48Å; L153-M272 VanDerWaalsContact CD2-CE 3.48Å; L153-M272 HydrophobicContact CD2-SD 4Å; D268-M272 WeakPolarHBondContact O-CB 3.44Å; D268-M272 PolarHBondContact O-N 3.13Å; N270-M272 VanDerWaalsContact C-N 3.31Å; N270-M272 PolarHBondContact O-N 3.41Å; M272-L276 HydrophobicContact CE-CD2 4.35Å; M272-L276 VanDerWaalsContact O-CB 3.23Å; M272-L276 WeakPolarHBondContact O-CB 3.25Å; M272-L276 PolarHBondContact O-N 2.99Å; M272-S452 WeakPolarHBondContact SD-CB 3.26Å; M272-I455 HydrophobicContact CB-CD1 3.89Å; M272-I455 HydrophobicContact CG-CD1 4.24Å; M272-I455 HydrophobicContact SD-CD1 3.74Å
273	S	79.3	Confident	82	Confident	14 Å²	14	41.2 Å²	41.2	10%	0.098	22%	0.222	C	C	.	.	H	α-helix	trans	-74.9	-35.9	-173.5	-168.9	0	0	0	0	113.5	H234 T269 N270 S277	H234-S273 WeakPolarHBondContact CB-OG 3.29Å; H234-S273 VanDerWaalsContact CG-OG 3.27Å; H234-S273 WeakPolarHBondContact ND1-CB 3.45Å; H234-S273 PolarHBondContact ND1-OG 2.86Å; T269-S273 WeakPolarHBondContact O-CB 3.4Å; T269-S273 PolarHBondContact O-N 3.2Å; N270-S273 CarbonylContact O-C 3.59Å; N270-S273 PolarHBondContact O-N 3.28Å; S273-S277 WeakPolarHBondContact O-CA 3.02Å; S273-S277 WeakPolarHBondContact O-CB 3.14Å; S273-S277 PolarHBondContact O-N 3.38Å; S273-S277 PolarHBondContact O-OG 3.11Å
274	E	77.8	Confident	82.3	Confident	117 Å²	117	41.6 Å²	41.6	55%	0.547	22%	0.218	S	C	.	.	H	α-helix	trans	-65.4	-48.7	174.2	-175.9	175.8	-178.9	0	0	109.3	N270 L276 S277 E278	N270-E274 VanDerWaalsContact O-CB 3.28Å; N270-E274 WeakPolarHBondContact O-CB 3.11Å; N270-E274 PolarHBondContact O-N 3.41Å; E274-L276 VanDerWaalsContact C-N 3.32Å; E274-L276 PolarHBondContact O-N 3.43Å; E274-S277 WeakPolarHBondContact CA-OG 3.25Å; E274-S277 PolarHBondContact O-N 3.4Å; E274-S277 PolarHBondContact O-OG 2.63Å; E274-S277 VanDerWaalsContact O-OG 3.08Å; E274-E278 PolarHBondContact O-N 3.41Å
275	A	78.6	Confident	83	Confident	23 Å²	23	40.3 Å²	40.3	19%	0.19	21%	0.214	C	C	.	.	I	π-helix	trans	-63.8	-37.9	177.2	0	0	0	0	0	112.3	D271 K279 A448	D271-A275 WeakPolarHBondContact O-CB 3.37Å; D271-A275 PolarHBondContact O-N 2.66Å; A275-K279 WeakPolarHBondContact O-CB 3.22Å; A275-K279 PolarHBondContact O-N 3.46Å; A275-A448 HydrophobicContact CB-CB 3.47Å; A275-A448 VanDerWaalsContact CB-CB 3.47Å
276	L	80.3	Confident	83.4	Confident	10 Å²	10	41.5 Å²	41.5	5%	0.052	22%	0.217	C	C	.	.	I	π-helix	trans	-77	-29.6	177.1	-152	75.4	0	0	0	112.6	L153 Y226 M230 M272 E274 L280 I449	L153-L276 HydrophobicContact CD1-CD2 4.43Å; L153-L276 HydrophobicContact CD2-CD2 4.15Å; Y226-L276 PolarHBondContact OH-O 2.97Å; M230-L276 HydrophobicContact CE-CD2 4.27Å; M230-L276 HydrophobicContact CE-CG 4.16Å; M230-L276 WeakPolarHBondContact CE-O 3.38Å; M272-L276 HydrophobicContact CE-CD2 4.35Å; M272-L276 VanDerWaalsContact O-CB 3.23Å; M272-L276 WeakPolarHBondContact O-CB 3.25Å; M272-L276 PolarHBondContact O-N 2.99Å; E274-L276 VanDerWaalsContact C-N 3.32Å; E274-L276 PolarHBondContact O-N 3.43Å; L276-L280 HydrophobicContact CD1-CD2 4.25Å; L276-L280 HydrophobicContact CG-CD2 4.14Å; L276-L280 WeakPolarHBondContact O-CB 3.39Å; L276-I449 HydrophobicContact CD1-CG1 4.37Å
277	S	81.7	Confident	83.8	Confident	24 Å²	24	42.3 Å²	42.3	17%	0.168	22%	0.222	C	C	.	.	I	π-helix	trans	-75.3	-67.3	175.5	56	0	0	0	0	109.8	Y226 S273 E274 S281	Y226-S277 WeakPolarHBondContact CE1-O 3.24Å; Y226-S277 PolarHBondContact OH-O 3.04Å; S273-S277 WeakPolarHBondContact O-CA 3.02Å; S273-S277 WeakPolarHBondContact O-CB 3.14Å; S273-S277 PolarHBondContact O-N 3.38Å; S273-S277 PolarHBondContact O-OG 3.11Å; E274-S277 WeakPolarHBondContact CA-OG 3.25Å; E274-S277 PolarHBondContact O-N 3.4Å; E274-S277 PolarHBondContact O-OG 2.63Å; E274-S277 VanDerWaalsContact O-OG 3.08Å; S277-S281 WeakPolarHBondContact O-CB 3.45Å; S277-S281 PolarHBondContact O-N 2.85Å
278	E	83.8	Confident	84.2	Confident	78 Å²	78	40.5 Å²	40.5	36%	0.364	21%	0.212	S	C	.	.	I	π-helix	trans	-67.4	-53.8	-172.6	-164.4	-157.2	153.9	0	0	112.4	E274 L280 S281 L282	E274-E278 PolarHBondContact O-N 3.41Å; E278-L280 PolarHBondContact O-N 2.85Å; E278-S281 WeakPolarHBondContact O-CB 3.42Å; E278-S281 PolarHBondContact O-N 3.41Å; E278-L282 HydrophobicContact CG-CD1 4.25Å; E278-L282 WeakPolarHBondContact O-CG 3.43Å; E278-L282 PolarHBondContact O-N 3.17Å; E278-L282 VanDerWaalsContact O-N 3.13Å
279	K	88.4	Confident	84.5	Confident	42 Å²	42	39.8 Å²	39.8	18%	0.183	21%	0.207	C	C	.	.	I	π-helix	trans	-74.6	-32.7	-168.5	-47.6	-53.6	-172.5	-158.7	0	112.7	A275 L283 Y441 E444 V445	A275-K279 WeakPolarHBondContact O-CB 3.22Å; A275-K279 PolarHBondContact O-N 3.46Å; K279-L283 VanDerWaalsContact O-CB 3.25Å; K279-L283 WeakPolarHBondContact O-CB 3.3Å; K279-L283 PolarHBondContact O-N 2.8Å; K279-Y441 HydrophobicContact CB-CD1 4.38Å; K279-Y441 HydrophobicContact CD-CD1 3.86Å; K279-Y441 HydrophobicContact CD-CE1 3.98Å; K279-E444 VanDerWaalsContact CD-OE2 3.28Å; K279-E444 WeakPolarHBondContact CD-OE2 3.45Å; K279-E444 VanDerWaalsContact CE-OE2 3.25Å; K279-E444 WeakPolarHBondContact CE-OE2 3.42Å; K279-E444 HydrophobicContact CG-CB 4.42Å; K279-E444 WeakPolarHBondContact CG-OE2 3.49Å; K279-V445 HydrophobicContact CB-CG2 3.89Å
280	L	87	Confident	84.9	Confident	32 Å²	32	43.2 Å²	43.2	17%	0.168	22%	0.222	C	C	.	.	H	α-helix	trans	-68.3	-38.4	173.5	-176.6	60.8	0	0	0	111.4	M230 L276 E278 L283 M284 V445	M230-L280 HydrophobicContact CE-CD2 4.06Å; L276-L280 HydrophobicContact CD1-CD2 4.25Å; L276-L280 HydrophobicContact CG-CD2 4.14Å; L276-L280 WeakPolarHBondContact O-CB 3.39Å; E278-L280 PolarHBondContact O-N 2.85Å; L280-L283 PolarHBondContact O-N 3.45Å; L280-M284 HydrophobicContact CD1-CG 4.44Å; L280-M284 HydrophobicContact CG-CE 4.49Å; L280-M284 WeakPolarHBondContact O-CG 3.43Å; L280-M284 PolarHBondContact O-N 3.08Å; L280-V445 HydrophobicContact CB-CG2 4.25Å; L280-V445 HydrophobicContact CD1-CG1 4.1Å
281	S	86.8	Confident	85.2	Confident	14 Å²	14	42.8 Å²	42.8	10%	0.098	23%	0.227	C	C	.	.	H	α-helix	trans	-57.9	-53.2	175.4	-165.5	0	0	0	0	110.5	Y226 S277 E278 L283 M284 W285	Y226-S281 VanDerWaalsContact CE1-CB 3.44Å; Y226-S281 PolarHBondContact OH-N 3.44Å; S277-S281 WeakPolarHBondContact O-CB 3.45Å; S277-S281 PolarHBondContact O-N 2.85Å; E278-S281 WeakPolarHBondContact O-CB 3.42Å; E278-S281 PolarHBondContact O-N 3.41Å; S281-L283 VanDerWaalsContact C-N 3.31Å; S281-L283 PolarHBondContact O-N 2.85Å; S281-M284 PolarHBondContact O-N 3.46Å; S281-W285 WeakPolarHBondContact O-CB 3Å; S281-W285 PolarHBondContact O-N 3.32Å
282	L	88.9	Confident	85.6	Confident	41 Å²	41	40.8 Å²	40.8	22%	0.215	22%	0.215	C	C	.	.	H	α-helix	trans	-60.3	-41.9	178.6	-67.1	170.4	0	0	0	111.3	E278 M284 W285 Y286 Y441	E278-L282 HydrophobicContact CG-CD1 4.25Å; E278-L282 WeakPolarHBondContact O-CG 3.43Å; E278-L282 PolarHBondContact O-N 3.17Å; E278-L282 VanDerWaalsContact O-N 3.13Å; L282-M284 PolarHBondContact O-N 3.13Å; L282-W285 PolarHBondContact O-N 3.32Å; L282-Y286 HydrophobicContact CB-CD2 4.39Å; L282-Y286 HydrophobicContact CD2-CE2 4.31Å; L282-Y286 WeakPolarHBondContact O-CB 3.34Å; L282-Y286 VanDerWaalsContact O-CD2 3.23Å; L282-Y286 WeakPolarHBondContact O-CD2 3.42Å; L282-Y286 PolarHBondContact O-N 2.95Å; L282-Y441 HydrophobicContact CB-CD2 3.81Å; L282-Y441 HydrophobicContact CB-CE2 3.79Å; L282-Y441 HydrophobicContact CB-CG 4.32Å; L282-Y441 HydrophobicContact CD1-CE1 3.97Å; L282-Y441 HydrophobicContact CD1-CE2 4.02Å; L282-Y441 HydrophobicContact CG-CE2 4.44Å
283	L	90.1	Very high	86	Confident	19 Å²	19	40.5 Å²	40.5	10%	0.099	21%	0.213	C	C	.	.	H	α-helix	trans	-61.1	-46.1	176.6	-177.6	64.9	0	0	0	111.7	K279 L280 S281 T287 V438 Y442 V445	K279-L283 VanDerWaalsContact O-CB 3.25Å; K279-L283 WeakPolarHBondContact O-CB 3.3Å; K279-L283 PolarHBondContact O-N 2.8Å; L280-L283 PolarHBondContact O-N 3.45Å; S281-L283 VanDerWaalsContact C-N 3.31Å; S281-L283 PolarHBondContact O-N 2.85Å; L283-T287 WeakPolarHBondContact O-CB 3.44Å; L283-T287 PolarHBondContact O-N 3.44Å; L283-T287 PolarHBondContact O-OG1 2.93Å; L283-V438 HydrophobicContact CD1-CB 4.46Å; L283-V438 HydrophobicContact CD1-CG1 4.09Å; L283-V438 HydrophobicContact CD1-CG2 4.48Å; L283-Y442 HydrophobicContact CD2-CD2 4.34Å; L283-V445 HydrophobicContact CD2-CB 4.27Å; L283-V445 HydrophobicContact CD2-CG1 4.46Å; L283-V445 HydrophobicContact CD2-CG2 4.05Å
284	M	85.6	Confident	86.5	Confident	59 Å²	59	42.6 Å²	42.6	29%	0.291	22%	0.223	S	C	.	.	H	α-helix	trans	-61.3	-45.7	177	-72.2	-171.4	-59.5	0	0	111.3	Y226 L280 S281 L282 T287 A288	Y226-M284 HydrophobicContact CD2-CE 3.94Å; Y226-M284 HydrophobicContact CE2-CE 3.43Å; Y226-M284 VanDerWaalsContact CE2-CE 3.43Å; L280-M284 HydrophobicContact CD1-CG 4.44Å; L280-M284 HydrophobicContact CG-CE 4.49Å; L280-M284 WeakPolarHBondContact O-CG 3.43Å; L280-M284 PolarHBondContact O-N 3.08Å; S281-M284 PolarHBondContact O-N 3.46Å; L282-M284 PolarHBondContact O-N 3.13Å; M284-T287 PolarHBondContact O-N 3.41Å; M284-A288 PolarHBondContact O-N 2.95Å
285	W	86.9	Confident	87.1	Confident	37 Å²	37	44.4 Å²	44.4	14%	0.14	23%	0.226	C	C	.	.	H	α-helix	trans	-62.2	-52.9	-179.8	-172.3	71.3	0	0	0	112.4	E219 S281 L282 T287 A288 R289	E219-W285 VanDerWaalsContact OE1-CZ2 3.31Å; E219-W285 WeakPolarHBondContact OE1-CZ2 3.26Å; S281-W285 WeakPolarHBondContact O-CB 3Å; S281-W285 PolarHBondContact O-N 3.32Å; L282-W285 PolarHBondContact O-N 3.32Å; W285-T287 VanDerWaalsContact C-N 3.3Å; W285-T287 PolarHBondContact O-N 2.88Å; W285-A288 PolarHBondContact O-N 3.39Å; W285-R289 WeakPolarHBondContact O-CG 3.33Å; W285-R289 PolarHBondContact O-N 3.46Å
286	Y	90.1	Very high	87.6	Confident	50 Å²	50	44 Å²	44	20%	0.196	22%	0.22	C	C	.	.	H	α-helix	trans	-67.9	-28.5	178.9	-78.2	-70.1	0	0	0	113.2	L282 F290 A434 A437 Y441	L282-Y286 HydrophobicContact CB-CD2 4.39Å; L282-Y286 HydrophobicContact CD2-CE2 4.31Å; L282-Y286 WeakPolarHBondContact O-CB 3.34Å; L282-Y286 VanDerWaalsContact O-CD2 3.23Å; L282-Y286 WeakPolarHBondContact O-CD2 3.42Å; L282-Y286 PolarHBondContact O-N 2.95Å; Y286-F290 WeakPolarHBondContact O-CB 3.36Å; Y286-F290 PolarHBondContact O-N 3.44Å; Y286-A434 HydrophobicContact CD1-CB 4.03Å; Y286-A437 HydrophobicContact CD1-CB 3.7Å; Y286-A437 HydrophobicContact CD2-CB 3.41Å; Y286-A437 VanDerWaalsContact CD2-CB 3.41Å; Y286-A437 HydrophobicContact CE1-CB 3.83Å; Y286-A437 HydrophobicContact CE2-CB 3.58Å; Y286-A437 HydrophobicContact CG-CB 3.47Å; Y286-A437 VanDerWaalsContact CG-CB 3.47Å; Y286-Y441 HydrophobicContact CD2-CD2 4.29Å; Y286-Y441 HydrophobicContact CD2-CE2 4.05Å; Y286-Y441 AromaticContact CE2-CE2 3.95Å; Y286-Y441 HydrophobicContact CE2-CE2 3.95Å
287	T	89.1	Confident	88	Confident	67 Å²	67	43.6 Å²	43.6	41%	0.411	22%	0.218	S	C	.	.	H	α-helix	trans	-67.9	-41.9	173.2	-58.2	0	0	0	0	111.3	L283 M284 W285 F290 A291	L283-T287 WeakPolarHBondContact O-CB 3.44Å; L283-T287 PolarHBondContact O-N 3.44Å; L283-T287 PolarHBondContact O-OG1 2.93Å; M284-T287 PolarHBondContact O-N 3.41Å; W285-T287 VanDerWaalsContact C-N 3.3Å; W285-T287 PolarHBondContact O-N 2.88Å; T287-F290 PolarHBondContact O-N 3.29Å; T287-A291 PolarHBondContact O-N 3.33Å
288	A	87.1	Confident	88.4	Confident	18 Å²	18	46 Å²	46	15%	0.149	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-48.1	174.1	0	0	0	0	0	111.1	V171 M284 W285 F290 A291 F292	V171-A288 HydrophobicContact CG1-CB 3.54Å; M284-A288 PolarHBondContact O-N 2.95Å; W285-A288 PolarHBondContact O-N 3.39Å; A288-F290 VanDerWaalsContact C-N 3.33Å; A288-F290 PolarHBondContact O-N 2.99Å; A288-A291 PolarHBondContact O-N 2.95Å; A288-A291 VanDerWaalsContact O-N 3.16Å; A288-F292 VanDerWaalsContact O-CD2 3.24Å; A288-F292 WeakPolarHBondContact O-CD2 3.35Å; A288-F292 PolarHBondContact O-N 3.49Å; A288-F292 VanDerWaalsContact O-N 3.11Å
289	R	87.6	Confident	88.5	Confident	27 Å²	27	45.6 Å²	45.6	10%	0.102	24%	0.237	C	C	.	.	H	α-helix	trans	-58.8	-43.2	176.4	-68.7	-177.2	85.8	133.2	12.9	112	E178 M179 W285 A291 F292 L293	E178-R289 VanDerWaalsContact CD-CZ 3.43Å; E178-R289 IonicContact OE1-CZ 3.49Å; E178-R289 VanDerWaalsContact OE1-CZ 3.28Å; E178-R289 IonicContact OE1-NH1 3.39Å; E178-R289 PolarHBondContact OE1-NH1 3.22Å; E178-R289 IonicContact OE1-NH2 3.53Å; E178-R289 PolarHBondContact OE1-NH2 3.05Å; E178-R289 IonicContact OE2-CZ 3.62Å; E178-R289 IonicContact OE2-NE 3.43Å; E178-R289 IonicContact OE2-NH1 2.69Å; E178-R289 PolarHBondContact OE2-NH1 2.95Å; E178-R289 IonicContact OE2-NH2 3.35Å; E178-R289 PolarHBondContact OE2-NH2 3.02Å; M179-R289 HydrophobicContact CE-CG 4.35Å; W285-R289 WeakPolarHBondContact O-CG 3.33Å; W285-R289 PolarHBondContact O-N 3.46Å; R289-A291 VanDerWaalsContact C-N 3.3Å; R289-A291 PolarHBondContact O-N 2.84Å; R289-F292 PolarHBondContact O-N 2.83Å; R289-L293 HydrophobicContact CB-CD1 4.32Å; R289-L293 VanDerWaalsContact O-CB 3.29Å; R289-L293 WeakPolarHBondContact O-CB 3.43Å; R289-L293 WeakPolarHBondContact O-CD1 3.44Å; R289-L293 VanDerWaalsContact O-CG 3.23Å; R289-L293 WeakPolarHBondContact O-CG 3.48Å; R289-L293 PolarHBondContact O-N 2.72Å
290	F	88.9	Confident	88.3	Confident	72 Å²	72	45.3 Å²	45.3	32%	0.316	24%	0.236	S	C	.	.	H	α-helix	trans	-54.6	-45.3	175.9	171.4	-93.2	0	0	0	111.9	Y286 T287 A288 L294 F431 A434 V435	Y286-F290 WeakPolarHBondContact O-CB 3.36Å; Y286-F290 PolarHBondContact O-N 3.44Å; T287-F290 PolarHBondContact O-N 3.29Å; A288-F290 VanDerWaalsContact C-N 3.33Å; A288-F290 PolarHBondContact O-N 2.99Å; F290-L294 WeakPolarHBondContact O-CB 3.35Å; F290-L294 PolarHBondContact O-N 2.72Å; F290-F431 HydrophobicContact CD2-CD2 4.08Å; F290-F431 AromaticContact CD2-CE2 3.48Å; F290-F431 HydrophobicContact CD2-CE2 3.48Å; F290-F431 VanDerWaalsContact CD2-CE2 3.48Å; F290-F431 HydrophobicContact CD2-CZ 4.12Å; F290-F431 HydrophobicContact CE2-CD2 4.24Å; F290-F431 AromaticContact CE2-CE2 3.23Å; F290-F431 HydrophobicContact CE2-CE2 3.23Å; F290-F431 AromaticContact CE2-CZ 3.46Å; F290-F431 HydrophobicContact CE2-CZ 3.46Å; F290-F431 VanDerWaalsContact CE2-CZ 3.46Å; F290-F431 HydrophobicContact CG-CE2 4.47Å; F290-F431 HydrophobicContact CZ-CE2 4.06Å; F290-F431 HydrophobicContact CZ-CZ 4.24Å; F290-A434 HydrophobicContact CB-CB 4.42Å; F290-V435 HydrophobicContact CD2-CG2 3.73Å; F290-V435 HydrophobicContact CE2-CG2 3.62Å
291	A	88.6	Confident	88.2	Confident	58 Å²	58	44.2 Å²	44.2	48%	0.479	23%	0.232	S	C	.	.	H	α-helix	trans	-65.2	-44.1	178.6	0	0	0	0	0	112.4	T287 A288 R289 Y295	T287-A291 PolarHBondContact O-N 3.33Å; A288-A291 PolarHBondContact O-N 2.95Å; A288-A291 VanDerWaalsContact O-N 3.16Å; R289-A291 VanDerWaalsContact C-N 3.3Å; R289-A291 PolarHBondContact O-N 2.84Å; A291-Y295 PolarHBondContact O-N 3.06Å; A291-Y295 VanDerWaalsContact O-N 3.09Å
292	F	89	Confident	88.1	Confident	47 Å²	47	50.9 Å²	50.9	21%	0.206	26%	0.255	C	S	.	.	H	α-helix	trans	-65.9	-44.6	176.7	-77.8	-70.3	0	0	0	112.4	V172 Y176 M179 A288 R289 L294 Y295 F296	V172-F292 HydrophobicContact CG1-CE2 4.24Å; V172-F292 HydrophobicContact CG1-CZ 3.86Å; V172-F292 HydrophobicContact CG2-CE2 4.39Å; Y176-F292 HydrophobicContact CD2-CE1 4.48Å; M179-F292 HydrophobicContact CG-CB 3.92Å; A288-F292 VanDerWaalsContact O-CD2 3.24Å; A288-F292 WeakPolarHBondContact O-CD2 3.35Å; A288-F292 PolarHBondContact O-N 3.49Å; A288-F292 VanDerWaalsContact O-N 3.11Å; R289-F292 PolarHBondContact O-N 2.83Å; F292-L294 VanDerWaalsContact C-N 3.34Å; F292-L294 PolarHBondContact O-N 2.96Å; F292-Y295 WeakPolarHBondContact O-CB 3.33Å; F292-Y295 PolarHBondContact O-N 2.86Å; F292-F296 HydrophobicContact CD1-CE2 4.44Å; F292-F296 WeakPolarHBondContact O-CD2 3.16Å; F292-F296 PolarHBondContact O-N 3.08Å
293	L	90.5	Very high	87.8	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-59.1	-45.7	177.8	-76.2	162.7	0	0	0	111.2	M179 R289 Y295 F296 M297 Y427 Q430 F431 A434	M179-L293 HydrophobicContact CE-CD2 4.28Å; M179-L293 HydrophobicContact CE-CG 4.28Å; M179-L293 HydrophobicContact SD-CD1 4.39Å; M179-L293 HydrophobicContact SD-CD2 3.27Å; M179-L293 WeakPolarHBondContact SD-CD2 3.46Å; M179-L293 HydrophobicContact SD-CG 3.54Å; M179-L293 VanDerWaalsContact SD-CG 3.54Å; R289-L293 HydrophobicContact CB-CD1 4.32Å; R289-L293 VanDerWaalsContact O-CB 3.29Å; R289-L293 WeakPolarHBondContact O-CB 3.43Å; R289-L293 WeakPolarHBondContact O-CD1 3.44Å; R289-L293 VanDerWaalsContact O-CG 3.23Å; R289-L293 WeakPolarHBondContact O-CG 3.48Å; R289-L293 PolarHBondContact O-N 2.72Å; L293-Y295 VanDerWaalsContact C-N 3.33Å; L293-Y295 PolarHBondContact O-N 2.96Å; L293-F296 PolarHBondContact O-N 3.2Å; L293-M297 WeakPolarHBondContact O-CB 3.5Å; L293-M297 WeakPolarHBondContact O-CG 3.28Å; L293-M297 PolarHBondContact O-N 3.12Å; L293-Y427 HydrophobicContact CD2-CD1 3.76Å; L293-Q430 HydrophobicContact CD1-CB 3.96Å; L293-Q430 HydrophobicContact CD2-CB 3.73Å; L293-F431 HydrophobicContact CB-CB 4.33Å; L293-F431 HydrophobicContact CB-CD2 3.99Å; L293-F431 HydrophobicContact CD1-CB 4.45Å; L293-A434 HydrophobicContact CD1-CB 4.06Å
294	L	89.6	Confident	87.4	Confident	58 Å²	58	51 Å²	51	30%	0.304	25%	0.253	S	S	.	.	H	α-helix	trans	-60.8	-44	176.3	-172.5	65.6	0	0	0	111.4	F290 F292 M297 V298 T305 F431	F290-L294 WeakPolarHBondContact O-CB 3.35Å; F290-L294 PolarHBondContact O-N 2.72Å; F292-L294 VanDerWaalsContact C-N 3.34Å; F292-L294 PolarHBondContact O-N 2.96Å; L294-M297 PolarHBondContact O-N 3.27Å; L294-V298 VanDerWaalsContact O-CG2 3.28Å; L294-V298 WeakPolarHBondContact O-CG2 3.41Å; L294-V298 PolarHBondContact O-N 2.75Å; L294-T305 HydrophobicContact CD1-CG2 4.19Å; L294-F431 HydrophobicContact CB-CE2 4.28Å; L294-F431 HydrophobicContact CD1-CE2 4.23Å; L294-F431 HydrophobicContact CD1-CZ 4.41Å
295	Y	90.6	Very high	87.5	Confident	156 Å²	156	48.6 Å²	48.6	61%	0.612	24%	0.241	S	C	*	.	H	α-helix	trans	-58.7	-51.1	176.3	171.1	-96.8	0	0	0	112.1	A291 F292 L293 V298 S299	A291-Y295 PolarHBondContact O-N 3.06Å; A291-Y295 VanDerWaalsContact O-N 3.09Å; F292-Y295 WeakPolarHBondContact O-CB 3.33Å; F292-Y295 PolarHBondContact O-N 2.86Å; L293-Y295 VanDerWaalsContact C-N 3.33Å; L293-Y295 PolarHBondContact O-N 2.96Å; Y295-V298 PolarHBondContact O-N 2.78Å; Y295-S299 WeakPolarHBondContact O-CB 3.35Å; Y295-S299 PolarHBondContact O-N 3.35Å
296	F	89.3	Confident	87.3	Confident	14 Å²	14	50.8 Å²	50.8	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-64.9	-41.6	-179.8	-79.9	-73.4	0	0	0	112	Y176 M179 F292 L293 V298 S299 Q300 Y427	Y176-F296 HydrophobicContact CD2-CZ 4.38Å; Y176-F296 HydrophobicContact CE2-CZ 4.1Å; M179-F296 HydrophobicContact CB-CD2 3.77Å; M179-F296 HydrophobicContact CB-CE2 3.55Å; M179-F296 HydrophobicContact CB-CZ 4.35Å; M179-F296 HydrophobicContact CG-CD2 4.21Å; M179-F296 HydrophobicContact CG-CE2 4.24Å; F292-F296 HydrophobicContact CD1-CE2 4.44Å; F292-F296 WeakPolarHBondContact O-CD2 3.16Å; F292-F296 PolarHBondContact O-N 3.08Å; L293-F296 PolarHBondContact O-N 3.2Å; F296-V298 PolarHBondContact O-N 2.82Å; F296-S299 WeakPolarHBondContact CA-OG 3.17Å; F296-S299 PolarHBondContact O-N 3.41Å; F296-S299 PolarHBondContact O-OG 3.23Å; F296-Q300 WeakPolarHBondContact O-CG 3.48Å; F296-Q300 PolarHBondContact O-N 3.34Å; F296-Q300 VanDerWaalsContact O-N 3.1Å; F296-Y427 HydrophobicContact CB-CD1 4.47Å; F296-Y427 HydrophobicContact CB-CD2 4.38Å; F296-Y427 HydrophobicContact CB-CE1 4.06Å; F296-Y427 HydrophobicContact CB-CE2 3.97Å; F296-Y427 HydrophobicContact CG-CE1 4.35Å
297	M	89.4	Confident	86.9	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-60	-45.9	176.3	-72	176.9	75.3	0	0	112.3	L293 L294 S299 Q300 S301 T305 T308 F424 Y427 E428 F431	L293-M297 WeakPolarHBondContact O-CB 3.5Å; L293-M297 WeakPolarHBondContact O-CG 3.28Å; L293-M297 PolarHBondContact O-N 3.12Å; L294-M297 PolarHBondContact O-N 3.27Å; M297-S299 VanDerWaalsContact C-N 3.31Å; M297-S299 PolarHBondContact O-N 3.09Å; M297-Q300 PolarHBondContact O-N 3.43Å; M297-S301 PolarHBondContact O-N 2.75Å; M297-S301 VanDerWaalsContact O-N 3.15Å; M297-T305 HydrophobicContact CB-CG2 4.23Å; M297-T305 PolarHBondContact O-OG1 2.9Å; M297-T308 HydrophobicContact CE-CG2 4.09Å; M297-F424 HydrophobicContact CB-CE2 4.14Å; M297-F424 HydrophobicContact CE-CE1 3.98Å; M297-F424 HydrophobicContact CE-CE2 3.99Å; M297-F424 HydrophobicContact CE-CZ 3.51Å; M297-F424 HydrophobicContact CG-CE2 4.43Å; M297-Y427 HydrophobicContact CG-CG 4.47Å; M297-E428 HydrophobicContact CE-CB 4.06Å; M297-E428 HydrophobicContact CE-CG 4.46Å; M297-F431 HydrophobicContact SD-CB 3.75Å; M297-F431 HydrophobicContact SD-CD1 4.35Å; M297-F431 HydrophobicContact SD-CD2 4.16Å; M297-F431 HydrophobicContact SD-CG 3.84Å
298	V	88.6	Confident	86.6	Confident	74 Å²	74	47.7 Å²	47.7	45%	0.448	24%	0.239	S	C	.	.	H	α-helix	trans	-63.6	-39.5	177.3	173.4	0	0	0	0	111	L294 Y295 F296 Q300 W302 T305	L294-V298 VanDerWaalsContact O-CG2 3.28Å; L294-V298 WeakPolarHBondContact O-CG2 3.41Å; L294-V298 PolarHBondContact O-N 2.75Å; Y295-V298 PolarHBondContact O-N 2.78Å; F296-V298 PolarHBondContact O-N 2.82Å; V298-Q300 VanDerWaalsContact C-N 3.27Å; V298-Q300 PolarHBondContact O-N 2.74Å; V298-W302 PolarHBondContact O-N 3.43Å; V298-T305 WeakPolarHBondContact CA-OG1 3.24Å; V298-T305 HydrophobicContact CG2-CG2 3.78Å; V298-T305 PolarHBondContact N-OG1 3.37Å
299	S	87.3	Confident	86.4	Confident	71 Å²	71	49.2 Å²	49.2	50%	0.497	25%	0.249	S	C	.	.	H	α-helix	trans	-64.5	-30.3	179.6	76.3	0	0	0	0	113.4	Y295 F296 M297	Y295-S299 WeakPolarHBondContact O-CB 3.35Å; Y295-S299 PolarHBondContact O-N 3.35Å; F296-S299 WeakPolarHBondContact CA-OG 3.17Å; F296-S299 PolarHBondContact O-N 3.41Å; F296-S299 PolarHBondContact O-OG 3.23Å; M297-S299 VanDerWaalsContact C-N 3.31Å; M297-S299 PolarHBondContact O-N 3.09Å
300	Q	83.4	Confident	86	Confident	35 Å²	35	53.7 Å²	53.7	16%	0.164	27%	0.272	C	S	.	.	H	α-helix	trans	-78.1	-56.3	177.7	-69.1	-66.3	-14.3	0	0	111.5	F296 M297 V298 D420 F424 Y427	F296-Q300 WeakPolarHBondContact O-CG 3.48Å; F296-Q300 PolarHBondContact O-N 3.34Å; F296-Q300 VanDerWaalsContact O-N 3.1Å; M297-Q300 PolarHBondContact O-N 3.43Å; V298-Q300 VanDerWaalsContact C-N 3.27Å; V298-Q300 PolarHBondContact O-N 2.74Å; Q300-D420 PolarHBondContact OE1-OD1 3.48Å; Q300-D420 VanDerWaalsContact OE1-OD1 3.14Å; Q300-F424 HydrophobicContact CB-CD2 4.43Å; Q300-Y427 HydrophobicContact CG-CE2 4.47Å
301	S	84.7	Confident	85.4	Confident	10 Å²	10	50.5 Å²	50.5	7%	0.07	26%	0.26	C	S	.	.	H	α-helix	trans	-159.3	103	178	178.7	0	0	0	0	111.1	M297 K303 M304 T305	M297-S301 PolarHBondContact O-N 2.75Å; M297-S301 VanDerWaalsContact O-N 3.15Å; S301-K303 PolarHBondContact O-N 2.85Å; S301-K303 VanDerWaalsContact O-N 3.1Å; S301-M304 PolarHBondContact O-N 2.98Å; S301-M304 VanDerWaalsContact O-N 3.08Å; S301-M304 PolarHBondContact OG-N 3Å; S301-T305 PolarHBondContact O-N 3.25Å; S301-T305 PolarHBondContact O-OG1 3.34Å
302	W	85.3	Confident	84.8	Confident	153 Å²	153	50.1 Å²	50.1	58%	0.58	25%	0.249	S	C	*	.	H	α-helix	trans	-56.6	-27.8	174.4	74.4	-90.8	0	0	0	113	L91 V298 L306	L91-W302 HydrophobicContact CD2-CH2 4.35Å; L91-W302 HydrophobicContact CD2-CZ2 4.49Å; V298-W302 PolarHBondContact O-N 3.43Å; W302-L306 HydrophobicContact CZ3-CD2 4.4Å; W302-L306 WeakPolarHBondContact O-CB 3.45Å; W302-L306 PolarHBondContact O-N 3.33Å
303	K	81.9	Confident	84.1	Confident	62 Å²	62	49.6 Å²	49.6	27%	0.27	25%	0.251	S	S	.	.	H	α-helix	trans	-67.4	-44	177	-62.4	-178.3	-175.6	176.1	0	111.5	L91 S301 L307 Y406 L410	L91-K303 HydrophobicContact CD2-CD 4.12Å; S301-K303 PolarHBondContact O-N 2.85Å; S301-K303 VanDerWaalsContact O-N 3.1Å; K303-L307 PolarHBondContact O-N 2.92Å; K303-Y406 HydrophobicContact CB-CE1 4.29Å; K303-L410 HydrophobicContact CB-CD2 4.29Å; K303-L410 HydrophobicContact CD-CD2 4.29Å
304	M	82.4	Confident	83.4	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-73.3	-38.1	177.3	-66.4	176.9	69.4	0	0	111.2	S301 L306 L307 T308 I403 Y406 L410 L421 F424	S301-M304 PolarHBondContact O-N 2.98Å; S301-M304 VanDerWaalsContact O-N 3.08Å; S301-M304 PolarHBondContact OG-N 3Å; M304-L306 VanDerWaalsContact C-N 3.3Å; M304-L306 PolarHBondContact O-N 3.32Å; M304-L307 WeakPolarHBondContact O-CB 3.24Å; M304-L307 PolarHBondContact O-N 2.96Å; M304-L307 VanDerWaalsContact O-N 3.17Å; M304-T308 PolarHBondContact O-N 2.69Å; M304-T308 PolarHBondContact O-OG1 2.99Å; M304-I403 HydrophobicContact CE-CG2 3.94Å; M304-Y406 HydrophobicContact CG-CD1 4.28Å; M304-Y406 HydrophobicContact CG-CE1 4.42Å; M304-L410 HydrophobicContact CG-CD2 4.17Å; M304-L421 HydrophobicContact CE-CD1 3.45Å; M304-L421 VanDerWaalsContact CE-CD1 3.45Å; M304-L421 HydrophobicContact SD-CD1 4.44Å; M304-F424 HydrophobicContact CB-CD1 4.23Å; M304-F424 HydrophobicContact CB-CD2 3.98Å; M304-F424 HydrophobicContact CB-CE1 3.75Å; M304-F424 HydrophobicContact CB-CE2 3.46Å; M304-F424 VanDerWaalsContact CB-CE2 3.46Å; M304-F424 HydrophobicContact CB-CG 4.34Å; M304-F424 HydrophobicContact CB-CZ 3.35Å; M304-F424 HydrophobicContact CE-CB 4.02Å; M304-F424 HydrophobicContact CE-CD1 3.32Å; M304-F424 HydrophobicContact CE-CD2 4.29Å; M304-F424 HydrophobicContact CE-CE1 3.84Å; M304-F424 HydrophobicContact CE-CG 3.6Å; M304-F424 HydrophobicContact SD-CD1 4.4Å; M304-F424 HydrophobicContact SD-CD2 4.38Å; M304-F424 HydrophobicContact SD-CG 4.19Å
305	T	86.6	Confident	82.6	Confident	7 Å²	7	52.5 Å²	52.5	4%	0.043	27%	0.266	C	S	.	.	H	α-helix	trans	-60.5	-41.9	174.3	-45.7	0	0	0	0	111.6	L294 M297 V298 S301 L307 T308 C309	L294-T305 HydrophobicContact CD1-CG2 4.19Å; M297-T305 HydrophobicContact CB-CG2 4.23Å; M297-T305 PolarHBondContact O-OG1 2.9Å; V298-T305 WeakPolarHBondContact CA-OG1 3.24Å; V298-T305 HydrophobicContact CG2-CG2 3.78Å; V298-T305 PolarHBondContact N-OG1 3.37Å; S301-T305 PolarHBondContact O-N 3.25Å; S301-T305 PolarHBondContact O-OG1 3.34Å; T305-L307 VanDerWaalsContact C-N 3.29Å; T305-L307 PolarHBondContact O-N 3.45Å; T305-T308 PolarHBondContact O-N 3.12Å; T305-C309 PolarHBondContact O-N 3.48Å; T305-C309 PolarHBondContact O-SG 3.3Å; T305-C309 VanDerWaalsContact O-SG 3.33Å
306	L	82.8	Confident	81.7	Confident	83 Å²	83	50 Å²	50	44%	0.435	26%	0.255	S	S	.	.	H	α-helix	trans	-60.4	-41	176.7	-174.4	66.6	0	0	0	111.5	W302 M304 C309 M310	W302-L306 HydrophobicContact CZ3-CD2 4.4Å; W302-L306 WeakPolarHBondContact O-CB 3.45Å; W302-L306 PolarHBondContact O-N 3.33Å; M304-L306 VanDerWaalsContact C-N 3.3Å; M304-L306 PolarHBondContact O-N 3.32Å; L306-C309 PolarHBondContact O-N 2.97Å; L306-M310 HydrophobicContact CD1-CE 4.23Å; L306-M310 HydrophobicContact CD2-CE 4.02Å; L306-M310 HydrophobicContact CG-CE 3.9Å; L306-M310 HydrophobicContact CG-SD 4.49Å; L306-M310 WeakPolarHBondContact O-CB 3.35Å; L306-M310 VanDerWaalsContact O-CG 3.3Å; L306-M310 WeakPolarHBondContact O-CG 2.97Å; L306-M310 PolarHBondContact O-N 3.12Å
307	L	82.2	Confident	81.1	Confident	49 Å²	49	51 Å²	51	26%	0.257	26%	0.262	S	S	.	.	H	α-helix	trans	-61.5	-44.6	174.5	-179	64.3	0	0	0	111.6	K303 M304 T305 M310 G311 I403 Y406	K303-L307 PolarHBondContact O-N 2.92Å; M304-L307 WeakPolarHBondContact O-CB 3.24Å; M304-L307 PolarHBondContact O-N 2.96Å; M304-L307 VanDerWaalsContact O-N 3.17Å; T305-L307 VanDerWaalsContact C-N 3.29Å; T305-L307 PolarHBondContact O-N 3.45Å; L307-M310 PolarHBondContact O-N 3.06Å; L307-G311 PolarHBondContact O-N 3.33Å; L307-I403 HydrophobicContact CD2-CG1 4.26Å; L307-Y406 HydrophobicContact CD2-CD1 3.81Å; L307-Y406 HydrophobicContact CD2-CG 3.89Å
308	T	83.8	Confident	80.5	Confident	3 Å²	3	54 Å²	54	2%	0.018	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-45.1	174.3	-53.2	0	0	0	0	111.3	M297 M304 T305 M310 G311 L312 I403 E428 F431	M297-T308 HydrophobicContact CE-CG2 4.09Å; M304-T308 PolarHBondContact O-N 2.69Å; M304-T308 PolarHBondContact O-OG1 2.99Å; T305-T308 PolarHBondContact O-N 3.12Å; T308-M310 VanDerWaalsContact C-N 3.32Å; T308-M310 PolarHBondContact O-N 3.17Å; T308-G311 WeakPolarHBondContact O-CA 3.38Å; T308-G311 PolarHBondContact O-N 2.96Å; T308-L312 PolarHBondContact O-N 3.01Å; T308-L312 VanDerWaalsContact O-N 3.1Å; T308-I403 WeakPolarHBondContact OG1-CD1 3.36Å; T308-E428 HydrophobicContact CG2-CG 4.17Å; T308-F431 HydrophobicContact CG2-CD1 4.38Å; T308-F431 HydrophobicContact CG2-CE1 4.44Å
309	C	81.3	Confident	79.7	Confident	51 Å²	51	51.8 Å²	51.8	35%	0.345	27%	0.265	S	S	.	.	H	α-helix	trans	-62.6	-36.2	177.1	-69.9	0	0	0	0	112.6	T305 L306 G311 L312 P313	T305-C309 PolarHBondContact O-N 3.48Å; T305-C309 PolarHBondContact O-SG 3.3Å; T305-C309 VanDerWaalsContact O-SG 3.33Å; L306-C309 PolarHBondContact O-N 2.97Å; C309-G311 VanDerWaalsContact C-N 3.28Å; C309-L312 PolarHBondContact O-N 3.3Å; C309-P313 VanDerWaalsContact O-CD 3.27Å; C309-P313 WeakPolarHBondContact O-CD 3.03Å
310	M	79.3	Confident	79.1	Confident	120 Å²	120	51.3 Å²	51.3	59%	0.591	26%	0.255	S	S	*	.	H	α-helix	trans	-68.1	-27.9	172.5	-73.3	178	176.4	0	0	112.6	L306 L307 T308 P313	L306-M310 HydrophobicContact CD1-CE 4.23Å; L306-M310 HydrophobicContact CD2-CE 4.02Å; L306-M310 HydrophobicContact CG-CE 3.9Å; L306-M310 HydrophobicContact CG-SD 4.49Å; L306-M310 WeakPolarHBondContact O-CB 3.35Å; L306-M310 VanDerWaalsContact O-CG 3.3Å; L306-M310 WeakPolarHBondContact O-CG 2.97Å; L306-M310 PolarHBondContact O-N 3.12Å; L307-M310 PolarHBondContact O-N 3.06Å; T308-M310 VanDerWaalsContact C-N 3.32Å; T308-M310 PolarHBondContact O-N 3.17Å; M310-P313 WeakPolarHBondContact O-CD 3.4Å
311	G	76.8	Confident	78.8	Confident	6 Å²	6	55 Å²	55	6%	0.062	28%	0.275	C	S	.	.	H	α-helix	trans	-75.3	-26.6	174	0	0	0	0	0	114.3	L307 T308 C309 I314 I315	L307-G311 PolarHBondContact O-N 3.33Å; T308-G311 WeakPolarHBondContact O-CA 3.38Å; T308-G311 PolarHBondContact O-N 2.96Å; C309-G311 VanDerWaalsContact C-N 3.28Å; G311-I314 WeakPolarHBondContact O-CB 3.38Å; G311-I314 PolarHBondContact O-N 2.96Å; G311-I315 PolarHBondContact O-N 3.39Å
312	L	77.1	Confident	78.5	Confident	49 Å²	49	56.3 Å²	56.3	26%	0.257	28%	0.283	S	S	.	.	H	α-helix	trans	-55.7	-46	-177.7	-72.9	175.6	0	0	0	114	T308 C309 I314 I315 W316 F431	T308-L312 PolarHBondContact O-N 3.01Å; T308-L312 VanDerWaalsContact O-N 3.1Å; C309-L312 PolarHBondContact O-N 3.3Å; L312-I314 PolarHBondContact O-N 2.87Å; L312-I315 HydrophobicContact CD2-CD1 4.41Å; L312-I315 PolarHBondContact O-N 3.42Å; L312-W316 WeakPolarHBondContact O-CB 3.3Å; L312-W316 PolarHBondContact O-N 2.99Å; L312-F431 HydrophobicContact CD1-CE1 4.1Å; L312-F431 HydrophobicContact CD1-CZ 4.33Å; L312-F431 HydrophobicContact CD2-CE1 4.07Å
313	P	73.9	Confident	78.1	Confident	37 Å²	37	49.6 Å²	49.6	24%	0.24	26%	0.261	C	S	.	.	H	α-helix	trans	-56	-37.1	173.9	-28	35.2	0	0	0	113.7	Y121 C309 M310 W316 V317	Y121-P313 HydrophobicContact CD2-CB 3.93Å; Y121-P313 HydrophobicContact CE2-CB 3.77Å; Y121-P313 HydrophobicContact CE2-CG 4.08Å; C309-P313 VanDerWaalsContact O-CD 3.27Å; C309-P313 WeakPolarHBondContact O-CD 3.03Å; M310-P313 WeakPolarHBondContact O-CD 3.4Å; P313-W316 PolarHBondContact O-N 3.33Å; P313-V317 WeakPolarHBondContact O-CB 3.41Å; P313-V317 WeakPolarHBondContact O-CG2 3.17Å; P313-V317 PolarHBondContact O-N 3.31Å
314	I	74.6	Confident	78	Confident	81 Å²	81	52 Å²	52	42%	0.415	27%	0.273	S	S	.	.	H	α-helix	trans	-72.1	-44.3	-179	-56.3	175.8	0	0	0	110.2	G311 L312 W316 I318 T395	G311-I314 WeakPolarHBondContact O-CB 3.38Å; G311-I314 PolarHBondContact O-N 2.96Å; L312-I314 PolarHBondContact O-N 2.87Å; I314-W316 PolarHBondContact O-N 3.31Å; I314-I318 HydrophobicContact CG2-CD1 3.8Å; I314-I318 PolarHBondContact O-N 3.02Å; I314-T395 HydrophobicContact CG2-CG2 3.88Å
315	I	73.9	Confident	77.9	Confident	39 Å²	39	57.9 Å²	57.9	20%	0.2	30%	0.298	C	S	.	.	H	α-helix	trans	-58.3	-28.5	173.6	-65.3	164	0	0	0	111.1	G311 L312 P319 T395 L399	G311-I315 PolarHBondContact O-N 3.39Å; L312-I315 HydrophobicContact CD2-CD1 4.41Å; L312-I315 PolarHBondContact O-N 3.42Å; I315-P319 WeakPolarHBondContact O-CD 3.16Å; I315-P319 WeakPolarHBondContact O-CG 3.4Å; I315-T395 HydrophobicContact CG1-CG2 4.09Å; I315-L399 HydrophobicContact CD1-CD2 3.3Å; I315-L399 HydrophobicContact CG1-CD2 4.19Å
316	W	72.1	Confident	77.7	Confident	102 Å²	102	59.4 Å²	59.4	39%	0.386	31%	0.305	S	S	.	.	H	α-helix	trans	-91.1	-45.6	-176.8	-172.3	49.3	0	0	0	114.1	Y125 L312 P313 I314 I318 P319 E320	Y125-W316 HydrophobicContact CD1-CE3 4.46Å; Y125-W316 AromaticContact CD1-CH2 3.2Å; Y125-W316 HydrophobicContact CD1-CH2 3.2Å; Y125-W316 HydrophobicContact CD1-CZ2 4.29Å; Y125-W316 AromaticContact CD1-CZ3 3.29Å; Y125-W316 HydrophobicContact CD1-CZ3 3.29Å; Y125-W316 HydrophobicContact CD2-CE3 4.18Å; Y125-W316 HydrophobicContact CD2-CH2 4.33Å; Y125-W316 AromaticContact CD2-CZ3 3.56Å; Y125-W316 HydrophobicContact CD2-CZ3 3.56Å; Y125-W316 AromaticContact CE1-CE3 3.94Å; Y125-W316 HydrophobicContact CE1-CE3 3.94Å; Y125-W316 AromaticContact CE1-CH2 2.79Å; Y125-W316 HydrophobicContact CE1-CH2 2.79Å; Y125-W316 AromaticContact CE1-CZ2 3.51Å; Y125-W316 HydrophobicContact CE1-CZ2 3.51Å; Y125-W316 AromaticContact CE1-CZ3 3.03Å; Y125-W316 HydrophobicContact CE1-CZ3 3.03Å; Y125-W316 AromaticContact CE2-CE3 3.57Å; Y125-W316 HydrophobicContact CE2-CE3 3.57Å; Y125-W316 AromaticContact CE2-CH2 3.99Å; Y125-W316 HydrophobicContact CE2-CH2 3.99Å; Y125-W316 AromaticContact CE2-CZ3 3.27Å; Y125-W316 HydrophobicContact CE2-CZ3 3.27Å; Y125-W316 AromaticContact CG-CH2 3.96Å; Y125-W316 HydrophobicContact CG-CH2 3.96Å; Y125-W316 AromaticContact CG-CZ3 3.54Å; Y125-W316 HydrophobicContact CG-CZ3 3.54Å; Y125-W316 AromaticContact CZ-CE3 3.39Å; Y125-W316 AromaticContact CZ-CH2 3.2Å; Y125-W316 AromaticContact CZ-CZ2 3.77Å; Y125-W316 AromaticContact CZ-CZ3 2.95Å; Y125-W316 WeakPolarHBondContact OH-CZ3 3.41Å; L312-W316 WeakPolarHBondContact O-CB 3.3Å; L312-W316 PolarHBondContact O-N 2.99Å; P313-W316 PolarHBondContact O-N 3.33Å; I314-W316 PolarHBondContact O-N 3.31Å; W316-I318 PolarHBondContact O-N 2.7Å; W316-P319 WeakPolarHBondContact O-CD 3.4Å; W316-E320 WeakPolarHBondContact CZ2-OE2 3.31Å; W316-E320 WeakPolarHBondContact O-CB 3.5Å; W316-E320 PolarHBondContact O-N 2.63Å; W316-E320 VanDerWaalsContact O-N 3.07Å
317	V	75.6	Confident	77.7	Confident	36 Å²	36	61.6 Å²	61.6	22%	0.218	31%	0.313	C	S	.	.	H	α-helix	trans	-64.4	-41.6	-174.2	169.7	0	0	0	0	112.1	Y121 Y125 P313 L321	Y121-V317 HydrophobicContact CD2-CG2 4.47Å; Y125-V317 HydrophobicContact CE2-CG2 4.02Å; P313-V317 WeakPolarHBondContact O-CB 3.41Å; P313-V317 WeakPolarHBondContact O-CG2 3.17Å; P313-V317 PolarHBondContact O-N 3.31Å; V317-L321 PolarHBondContact O-N 2.91Å; V317-L321 VanDerWaalsContact O-N 3.12Å
318	I	77.3	Confident	77.9	Confident	64 Å²	64	62 Å²	62	33%	0.328	32%	0.318	S	S	.	.	H	α-helix	trans	-68.7	-50.1	-174.8	-65	172.4	0	0	0	111.4	I314 W316 L321 T322 A391 T395	I314-I318 HydrophobicContact CG2-CD1 3.8Å; I314-I318 PolarHBondContact O-N 3.02Å; W316-I318 PolarHBondContact O-N 2.7Å; I318-L321 PolarHBondContact O-N 2.87Å; I318-T322 PolarHBondContact O-N 3.3Å; I318-T322 PolarHBondContact O-OG1 3.34Å; I318-A391 HydrophobicContact CG2-CB 3.88Å; I318-T395 HydrophobicContact CD1-CG2 4.34Å
319	P	72.2	Confident	78.1	Confident	27 Å²	27	62.6 Å²	62.6	18%	0.175	32%	0.321	C	S	.	.	H	α-helix	trans	-66.2	-31.9	174.2	-25.4	39	0	0	0	113.8	I315 W316 T322 G323 N392	I315-P319 WeakPolarHBondContact O-CD 3.16Å; I315-P319 WeakPolarHBondContact O-CG 3.4Å; W316-P319 WeakPolarHBondContact O-CD 3.4Å; P319-T322 WeakPolarHBondContact CA-OG1 3.35Å; P319-T322 PolarHBondContact O-OG1 3.12Å; P319-G323 VanDerWaalsContact O-CA 3.29Å; P319-G323 WeakPolarHBondContact O-CA 3.35Å; P319-G323 PolarHBondContact O-N 3.44Å; P319-N392 HydrophobicContact CG-CB 4.09Å; P319-N392 WeakPolarHBondContact CG-OD1 3.44Å
320	E	74.6	Confident	78.4	Confident	61 Å²	61	61.3 Å²	61.3	29%	0.285	31%	0.314	S	S	.	.	H	α-helix	trans	-67	-42.1	177.2	-168.8	-177.6	132.1	0	0	111.7	R124 Y125 W316 H324	R124-E320 IonicContact CZ-OE1 3.01Å; R124-E320 IonicContact NE-OE1 2.67Å; R124-E320 PolarHBondContact NE-OE1 3.18Å; R124-E320 VanDerWaalsContact NE-OE1 3.17Å; R124-E320 IonicContact NH2-OE1 3.89Å; R124-E320 PolarHBondContact NH2-OE1 3.36Å; Y125-E320 PolarHBondContact OH-OE1 3.34Å; Y125-E320 PolarHBondContact OH-OE2 3.48Å; W316-E320 WeakPolarHBondContact CZ2-OE2 3.31Å; W316-E320 WeakPolarHBondContact O-CB 3.5Å; W316-E320 PolarHBondContact O-N 2.63Å; W316-E320 VanDerWaalsContact O-N 3.07Å; E320-H324 WeakPolarHBondContact O-CB 3.17Å; E320-H324 PolarHBondContact O-N 3.38Å
321	L	76.5	Confident	78.9	Confident	112 Å²	112	58.3 Å²	58.3	59%	0.586	31%	0.308	S	S	*	.	H	α-helix	trans	-63.9	-47.1	178.3	-168	82.9	0	0	0	111.6	V317 I318	V317-L321 PolarHBondContact O-N 2.91Å; V317-L321 VanDerWaalsContact O-N 3.12Å; I318-L321 PolarHBondContact O-N 2.87Å
322	T	78.8	Confident	79.6	Confident	39 Å²	39	63.6 Å²	63.6	24%	0.239	33%	0.329	C	S	.	.	H	α-helix	trans	-73	-37.2	-179.5	52.1	0	0	0	0	111.9	I318 P319 F325 H326 A391	I318-T322 PolarHBondContact O-N 3.3Å; I318-T322 PolarHBondContact O-OG1 3.34Å; P319-T322 WeakPolarHBondContact CA-OG1 3.35Å; P319-T322 PolarHBondContact O-OG1 3.12Å; T322-F325 PolarHBondContact O-N 3.38Å; T322-H326 PolarHBondContact O-N 3.44Å; T322-A391 HydrophobicContact CG2-CB 4.23Å
323	G	77	Confident	80.3	Confident	11 Å²	11	61.7 Å²	61.7	11%	0.113	32%	0.32	C	S	.	.	H	α-helix	trans	-66.2	-36.7	177	0	0	0	0	0	113.6	P319 F325 H326 Q327	P319-G323 VanDerWaalsContact O-CA 3.29Å; P319-G323 WeakPolarHBondContact O-CA 3.35Å; P319-G323 PolarHBondContact O-N 3.44Å; G323-F325 VanDerWaalsContact C-N 3.3Å; G323-F325 PolarHBondContact O-N 2.96Å; G323-H326 PolarHBondContact O-N 3.15Å; G323-Q327 WeakPolarHBondContact O-CB 3.21Å; G323-Q327 WeakPolarHBondContact O-CG 3.19Å; G323-Q327 PolarHBondContact O-N 3.02Å
324	H	79.9	Confident	81.1	Confident	114 Å²	114	66.7 Å²	66.7	53%	0.528	34%	0.34	S	S	.	.	H	α-helix	trans	-62.6	-38.5	177.3	-170.4	58.1	0	0	0	112.5	E320 T328	E320-H324 WeakPolarHBondContact O-CB 3.17Å; E320-H324 PolarHBondContact O-N 3.38Å; H324-T328 WeakPolarHBondContact O-CB 3.28Å; H324-T328 PolarHBondContact O-N 2.9Å; H324-T328 PolarHBondContact O-OG1 3.35Å
325	F	80.6	Confident	82	Confident	124 Å²	124	67 Å²	67	54%	0.544	34%	0.342	S	S	.	.	H	α-helix	trans	-65	-45.5	174.6	-175.5	-104.7	0	0	0	111.3	T322 G323 T328 I329 A384	T322-F325 PolarHBondContact O-N 3.38Å; G323-F325 VanDerWaalsContact C-N 3.3Å; G323-F325 PolarHBondContact O-N 2.96Å; F325-T328 PolarHBondContact O-N 2.73Å; F325-I329 HydrophobicContact CD1-CD1 4.48Å; F325-I329 HydrophobicContact CE1-CD1 3.75Å; F325-I329 HydrophobicContact CE2-CD1 4.3Å; F325-I329 HydrophobicContact CZ-CD1 3.64Å; F325-I329 HydrophobicContact CZ-CG1 4.45Å; F325-I329 PolarHBondContact O-N 2.84Å; F325-I329 VanDerWaalsContact O-N 3.17Å; F325-A384 HydrophobicContact CD1-CB 3.68Å; F325-A384 HydrophobicContact CE1-CB 3.87Å
326	H	82.6	Confident	82.9	Confident	40 Å²	40	65.5 Å²	65.5	19%	0.185	34%	0.335	C	S	.	.	H	α-helix	trans	-58.2	-50.9	174.9	171	59.6	0	0	0	111.9	T322 G323 T328 I329 A330 E381 A384	T322-H326 PolarHBondContact O-N 3.44Å; G323-H326 PolarHBondContact O-N 3.15Å; H326-T328 VanDerWaalsContact C-N 3.28Å; H326-T328 PolarHBondContact O-N 3.12Å; H326-I329 PolarHBondContact O-N 3.12Å; H326-I329 VanDerWaalsContact O-N 3.12Å; H326-A330 WeakPolarHBondContact O-CB 3.34Å; H326-A330 PolarHBondContact O-N 3.28Å; H326-E381 IonicContact CE1-OE1 3.95Å; H326-A384 HydrophobicContact CB-CB 4.14Å
327	Q	81.5	Confident	83.9	Confident	128 Å²	128	63.9 Å²	63.9	60%	0.598	33%	0.334	S	S	*	.	H	α-helix	trans	-58.4	-37.8	178.4	-72.3	174.7	3.4	0	0	112.7	G323 A330 A331	G323-Q327 WeakPolarHBondContact O-CB 3.21Å; G323-Q327 WeakPolarHBondContact O-CG 3.19Å; G323-Q327 PolarHBondContact O-N 3.02Å; Q327-A330 PolarHBondContact O-N 3.08Å; Q327-A331 WeakPolarHBondContact O-CB 3.4Å; Q327-A331 PolarHBondContact O-N 3.38Å
328	T	87.3	Confident	84.7	Confident	59 Å²	59	64.7 Å²	64.7	36%	0.362	34%	0.344	S	S	.	.	H	α-helix	trans	-66.9	-37.7	178.4	-58.4	0	0	0	0	112.1	H324 F325 H326	H324-T328 WeakPolarHBondContact O-CB 3.28Å; H324-T328 PolarHBondContact O-N 2.9Å; H324-T328 PolarHBondContact O-OG1 3.35Å; F325-T328 PolarHBondContact O-N 2.73Å; H326-T328 VanDerWaalsContact C-N 3.28Å; H326-T328 PolarHBondContact O-N 3.12Å
329	I	87.8	Confident	85.4	Confident	14 Å²	14	65.3 Å²	65.3	7%	0.072	35%	0.345	C	S	.	.	H	α-helix	trans	-76.1	-40.9	176.2	-61.3	-161.3	0	0	0	110.9	F325 H326 A331 K332 V333 K380 E381	F325-I329 HydrophobicContact CD1-CD1 4.48Å; F325-I329 HydrophobicContact CE1-CD1 3.75Å; F325-I329 HydrophobicContact CE2-CD1 4.3Å; F325-I329 HydrophobicContact CZ-CD1 3.64Å; F325-I329 HydrophobicContact CZ-CG1 4.45Å; F325-I329 PolarHBondContact O-N 2.84Å; F325-I329 VanDerWaalsContact O-N 3.17Å; H326-I329 PolarHBondContact O-N 3.12Å; H326-I329 VanDerWaalsContact O-N 3.12Å; I329-A331 VanDerWaalsContact C-N 3.26Å; I329-A331 PolarHBondContact O-N 3.46Å; I329-K332 WeakPolarHBondContact O-CA 3.07Å; I329-K332 WeakPolarHBondContact O-CB 3.3Å; I329-K332 PolarHBondContact O-N 2.98Å; I329-V333 HydrophobicContact CG2-CG2 4.33Å; I329-V333 WeakPolarHBondContact O-CG2 3.33Å; I329-V333 PolarHBondContact O-N 3.16Å; I329-K380 HydrophobicContact CD1-CB 3.87Å; I329-K380 HydrophobicContact CG2-CB 4.21Å; I329-E381 HydrophobicContact CG2-CB 3.81Å; I329-E381 HydrophobicContact CG2-CG 4.46Å
330	A	87.3	Confident	86.4	Confident	25 Å²	25	64 Å²	64	21%	0.207	34%	0.336	C	S	.	.	H	α-helix	trans	-55.5	-41.6	175	0	0	0	0	0	111.9	H326 Q327 K332 V333 Q334 E381	H326-A330 WeakPolarHBondContact O-CB 3.34Å; H326-A330 PolarHBondContact O-N 3.28Å; Q327-A330 PolarHBondContact O-N 3.08Å; A330-K332 VanDerWaalsContact C-N 3.32Å; A330-K332 PolarHBondContact O-N 2.84Å; A330-V333 WeakPolarHBondContact O-CB 3.34Å; A330-V333 PolarHBondContact O-N 3.24Å; A330-Q334 PolarHBondContact O-N 2.95Å; A330-E381 HydrophobicContact CB-CG 4.46Å; A330-E381 VanDerWaalsContact CB-OE1 3.31Å; A330-E381 WeakPolarHBondContact CB-OE1 3.37Å
331	A	89.3	Confident	87.3	Confident	57 Å²	57	65.4 Å²	65.4	47%	0.471	35%	0.345	S	S	.	.	H	α-helix	trans	-61.6	-37.6	174.3	0	0	0	0	0	113	Q327 I329 Q334 D335	Q327-A331 WeakPolarHBondContact O-CB 3.4Å; Q327-A331 PolarHBondContact O-N 3.38Å; I329-A331 VanDerWaalsContact C-N 3.26Å; I329-A331 PolarHBondContact O-N 3.46Å; A331-Q334 PolarHBondContact O-N 2.71Å; A331-D335 PolarHBondContact O-N 3.11Å; A331-D335 VanDerWaalsContact O-N 3.08Å
332	K	92	Very high	88.1	Confident	117 Å²	117	66.3 Å²	66.3	51%	0.509	35%	0.347	S	S	.	.	H	α-helix	trans	-70	-36.4	175.7	-67.6	176.9	-177.5	179.7	0	112.1	I329 A330 Q334 D335 S336 L377	I329-K332 WeakPolarHBondContact O-CA 3.07Å; I329-K332 WeakPolarHBondContact O-CB 3.3Å; I329-K332 PolarHBondContact O-N 2.98Å; A330-K332 VanDerWaalsContact C-N 3.32Å; A330-K332 PolarHBondContact O-N 2.84Å; K332-Q334 VanDerWaalsContact C-N 3.35Å; K332-D335 PolarHBondContact O-N 3.35Å; K332-S336 WeakPolarHBondContact O-CB 3.43Å; K332-S336 PolarHBondContact O-N 3.43Å; K332-L377 HydrophobicContact CB-CD1 4.33Å; K332-L377 HydrophobicContact CB-CD2 4.46Å
333	V	92.6	Very high	88.8	Confident	8 Å²	8	64.8 Å²	64.8	5%	0.048	34%	0.338	C	S	.	.	H	α-helix	trans	-61.1	-47.4	173.9	171.9	0	0	0	0	109.7	I329 A330 D335 S336 L337 T374 L377 N378 E381	I329-V333 HydrophobicContact CG2-CG2 4.33Å; I329-V333 WeakPolarHBondContact O-CG2 3.33Å; I329-V333 PolarHBondContact O-N 3.16Å; A330-V333 WeakPolarHBondContact O-CB 3.34Å; A330-V333 PolarHBondContact O-N 3.24Å; V333-D335 PolarHBondContact O-N 3.4Å; V333-S336 PolarHBondContact O-N 3.24Å; V333-L337 HydrophobicContact CG1-CD1 4.02Å; V333-L337 PolarHBondContact O-N 2.7Å; V333-T374 HydrophobicContact CG1-CG2 4.48Å; V333-L377 HydrophobicContact CG2-CB 3.76Å; V333-N378 WeakPolarHBondContact CG1-OD1 3.36Å; V333-E381 HydrophobicContact CG2-CB 4.14Å; V333-E381 WeakPolarHBondContact CG2-OE2 3.3Å
334	Q	90.1	Very high	89.7	Confident	143 Å²	143	65.1 Å²	65.1	67%	0.668	34%	0.339	S	S	*	.	H	α-helix	trans	-61.6	-42	178.5	-167.8	178.3	5	0	0	112.4	A330 A331 K332 L337 A338	A330-Q334 PolarHBondContact O-N 2.95Å; A331-Q334 PolarHBondContact O-N 2.71Å; K332-Q334 VanDerWaalsContact C-N 3.35Å; Q334-L337 PolarHBondContact O-N 3.32Å; Q334-A338 WeakPolarHBondContact O-CB 3.48Å; Q334-A338 PolarHBondContact O-N 2.62Å
335	D	92.4	Very high	90.3	Very high	87 Å²	87	63.8 Å²	63.8	47%	0.465	34%	0.339	S	S	.	.	H	α-helix	trans	-63.8	-41.1	174.9	-178	65.9	0	0	0	112.5	A331 K332 V333 A338 K339	A331-D335 PolarHBondContact O-N 3.11Å; A331-D335 VanDerWaalsContact O-N 3.08Å; K332-D335 PolarHBondContact O-N 3.35Å; V333-D335 PolarHBondContact O-N 3.4Å; D335-A338 PolarHBondContact O-N 2.9Å; D335-K339 WeakPolarHBondContact O-CG 3.5Å; D335-K339 PolarHBondContact O-N 3.5Å; D335-K339 VanDerWaalsContact O-N 3.15Å; D335-K339 WeakPolarHBondContact OD2-CE 3.19Å; D335-K339 IonicContact OD2-NZ 2.77Å; D335-K339 PolarHBondContact OD2-NZ 3.42Å
336	S	93.6	Very high	90.8	Very high	7 Å²	7	62.5 Å²	62.5	5%	0.049	34%	0.335	C	S	.	.	H	α-helix	trans	-64.2	-43.2	175.8	-169.8	0	0	0	0	112	K332 V333 K339 A340 T374	K332-S336 WeakPolarHBondContact O-CB 3.43Å; K332-S336 PolarHBondContact O-N 3.43Å; V333-S336 PolarHBondContact O-N 3.24Å; S336-K339 WeakPolarHBondContact O-CB 3.12Å; S336-K339 PolarHBondContact O-N 3.34Å; S336-A340 PolarHBondContact O-N 3.28Å; S336-A340 VanDerWaalsContact O-N 3.1Å; S336-T374 WeakPolarHBondContact OG-CA 3.35Å; S336-T374 PolarHBondContact OG-N 2.97Å; S336-T374 PolarHBondContact OG-OG1 3.12Å
337	L	93.6	Very high	91.5	Very high	68 Å²	68	61.5 Å²	61.5	36%	0.356	33%	0.332	S	S	.	.	H	α-helix	trans	-62.7	-40.6	174.1	-80	169.8	0	0	0	112.2	V333 Q334 K339 A340 N341 T374	V333-L337 HydrophobicContact CG1-CD1 4.02Å; V333-L337 PolarHBondContact O-N 2.7Å; Q334-L337 PolarHBondContact O-N 3.32Å; L337-K339 VanDerWaalsContact C-N 3.29Å; L337-K339 PolarHBondContact O-N 2.98Å; L337-A340 PolarHBondContact O-N 3.36Å; L337-N341 WeakPolarHBondContact O-CB 3.41Å; L337-N341 PolarHBondContact O-N 2.86Å; L337-T374 HydrophobicContact CD1-CG2 4.48Å; L337-T374 HydrophobicContact CD2-CG2 3.69Å; L337-T374 HydrophobicContact CG-CG2 3.65Å
338	A	91.4	Very high	92.1	Very high	53 Å²	53	62.6 Å²	62.6	44%	0.438	34%	0.335	S	S	.	.	H	α-helix	trans	-60	-40.5	176.5	0	0	0	0	0	111.7	Q334 D335 N341 Q342	Q334-A338 WeakPolarHBondContact O-CB 3.48Å; Q334-A338 PolarHBondContact O-N 2.62Å; D335-A338 PolarHBondContact O-N 2.9Å; A338-N341 PolarHBondContact O-N 3.4Å; A338-Q342 WeakPolarHBondContact O-CB 3.28Å; A338-Q342 PolarHBondContact O-N 3.37Å
339	K	92.4	Very high	92.3	Very high	78 Å²	78	64.2 Å²	64.2	34%	0.339	35%	0.348	S	S	.	.	H	α-helix	trans	-64.9	-39.9	174.5	-70.7	164.2	178.4	157.7	0	112.7	D335 S336 L337 Q342 V343	D335-K339 WeakPolarHBondContact O-CG 3.5Å; D335-K339 PolarHBondContact O-N 3.5Å; D335-K339 VanDerWaalsContact O-N 3.15Å; D335-K339 WeakPolarHBondContact OD2-CE 3.19Å; D335-K339 IonicContact OD2-NZ 2.77Å; D335-K339 PolarHBondContact OD2-NZ 3.42Å; S336-K339 WeakPolarHBondContact O-CB 3.12Å; S336-K339 PolarHBondContact O-N 3.34Å; L337-K339 VanDerWaalsContact C-N 3.29Å; L337-K339 PolarHBondContact O-N 2.98Å; K339-Q342 WeakPolarHBondContact O-CB 3.39Å; K339-Q342 PolarHBondContact O-N 2.86Å; K339-V343 PolarHBondContact O-N 2.88Å
340	A	93.9	Very high	92.7	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-62.8	-46.9	174	0	0	0	0	0	111.1	S336 L337 Q342 V343 A344 Y367 R370 L371	S336-A340 PolarHBondContact O-N 3.28Å; S336-A340 VanDerWaalsContact O-N 3.1Å; L337-A340 PolarHBondContact O-N 3.36Å; A340-Q342 VanDerWaalsContact C-N 3.28Å; A340-Q342 PolarHBondContact O-N 3.42Å; A340-V343 WeakPolarHBondContact O-CB 3.2Å; A340-V343 PolarHBondContact O-N 3.21Å; A340-V343 VanDerWaalsContact O-N 3.15Å; A340-A344 PolarHBondContact O-N 3.37Å; A340-A344 VanDerWaalsContact O-N 3.14Å; A340-Y367 HydrophobicContact CB-CD2 4.41Å; A340-Y367 HydrophobicContact CB-CE2 3.95Å; A340-Y367 WeakPolarHBondContact O-CD2 3.49Å; A340-Y367 VanDerWaalsContact O-CE2 3.25Å; A340-Y367 WeakPolarHBondContact O-CE2 3.35Å; A340-R370 HydrophobicContact CB-CB 3.78Å; A340-L371 HydrophobicContact CB-CD2 4.38Å
341	N	92.6	Very high	93.1	Very high	89 Å²	89	69.2 Å²	69.2	48%	0.476	37%	0.37	S	S	.	.	H	α-helix	trans	-62.3	-34.5	177.4	-73	-14.4	0	0	0	112.6	L337 A338 A344 T345	L337-N341 WeakPolarHBondContact O-CB 3.41Å; L337-N341 PolarHBondContact O-N 2.86Å; A338-N341 PolarHBondContact O-N 3.4Å; N341-A344 PolarHBondContact O-N 2.87Å; N341-T345 WeakPolarHBondContact O-CB 3.34Å; N341-T345 PolarHBondContact O-N 3.32Å; N341-T345 PolarHBondContact O-OG1 3.37Å
342	Q	92.8	Very high	93.4	Very high	131 Å²	131	75.4 Å²	75.4	61%	0.612	39%	0.387	S	S	*	.	H	α-helix	trans	-61.1	-44.4	174.3	-175.3	-179.3	-3.4	0	0	111.5	A338 K339 A340 T345 E346	A338-Q342 WeakPolarHBondContact O-CB 3.28Å; A338-Q342 PolarHBondContact O-N 3.37Å; K339-Q342 WeakPolarHBondContact O-CB 3.39Å; K339-Q342 PolarHBondContact O-N 2.86Å; A340-Q342 VanDerWaalsContact C-N 3.28Å; A340-Q342 PolarHBondContact O-N 3.42Å; Q342-T345 PolarHBondContact O-N 3.48Å; Q342-E346 WeakPolarHBondContact O-CB 3.29Å; Q342-E346 PolarHBondContact O-N 3.32Å
343	V	94.1	Very high	93.7	Very high	8 Å²	8	73.2 Å²	73.2	5%	0.048	38%	0.383	C	S	.	.	H	α-helix	trans	-59	-51.7	175.1	176.2	0	0	0	0	110	K339 A340 T345 E346 T347 K366 Y367 R370	K339-V343 PolarHBondContact O-N 2.88Å; A340-V343 WeakPolarHBondContact O-CB 3.2Å; A340-V343 PolarHBondContact O-N 3.21Å; A340-V343 VanDerWaalsContact O-N 3.15Å; V343-T345 VanDerWaalsContact C-N 3.29Å; V343-T345 PolarHBondContact O-N 3.21Å; V343-E346 PolarHBondContact O-N 2.9Å; V343-E346 VanDerWaalsContact O-N 3.16Å; V343-T347 PolarHBondContact O-N 3.04Å; V343-T347 PolarHBondContact O-OG1 3.13Å; V343-K366 HydrophobicContact CG1-CD 4.18Å; V343-K366 HydrophobicContact CG1-CG 4.2Å; V343-K366 HydrophobicContact CG2-CG 4.43Å; V343-Y367 HydrophobicContact CB-CD2 4.43Å; V343-R370 HydrophobicContact CG2-CG 4.3Å
344	A	95	Very high	93.9	Very high	18 Å²	18	73.5 Å²	73.5	15%	0.149	39%	0.385	C	S	.	.	H	α-helix	trans	-57.7	-42.1	178.9	0	0	0	0	0	112.6	A340 N341 T347 F348 Y367	A340-A344 PolarHBondContact O-N 3.37Å; A340-A344 VanDerWaalsContact O-N 3.14Å; N341-A344 PolarHBondContact O-N 2.87Å; A344-T347 PolarHBondContact O-N 3.28Å; A344-F348 HydrophobicContact CB-CD2 4.43Å; A344-F348 HydrophobicContact CB-CE2 4.14Å; A344-F348 WeakPolarHBondContact O-CB 3.36Å; A344-F348 WeakPolarHBondContact O-CD2 3.33Å; A344-F348 WeakPolarHBondContact O-CG 3.5Å; A344-F348 PolarHBondContact O-N 2.94Å; A344-Y367 HydrophobicContact CB-CD2 4.27Å; A344-Y367 HydrophobicContact CB-CE2 3.95Å
345	T	92.8	Very high	94.3	Very high	85 Å²	85	74 Å²	74	52%	0.521	38%	0.38	S	S	.	.	H	α-helix	trans	-63	-44.7	178	-56.2	0	0	0	0	111.3	N341 Q342 V343 S349	N341-T345 WeakPolarHBondContact O-CB 3.34Å; N341-T345 PolarHBondContact O-N 3.32Å; N341-T345 PolarHBondContact O-OG1 3.37Å; Q342-T345 PolarHBondContact O-N 3.48Å; V343-T345 VanDerWaalsContact C-N 3.29Å; V343-T345 PolarHBondContact O-N 3.21Å; T345-S349 WeakPolarHBondContact O-CB 3.46Å; T345-S349 PolarHBondContact O-N 2.88Å; T345-S349 PolarHBondContact O-OG 3.25Å
346	E	92.6	Very high	94.5	Very high	98 Å²	98	74 Å²	74	46%	0.458	39%	0.388	S	S	.	.	H	α-helix	trans	-63.2	-46.9	177.4	-175.6	178.9	-167.3	0	0	111.5	Q342 V343 N350 K366	Q342-E346 WeakPolarHBondContact O-CB 3.29Å; Q342-E346 PolarHBondContact O-N 3.32Å; V343-E346 PolarHBondContact O-N 2.9Å; V343-E346 VanDerWaalsContact O-N 3.16Å; E346-N350 WeakPolarHBondContact O-CB 3.25Å; E346-N350 PolarHBondContact O-N 2.63Å; E346-N350 VanDerWaalsContact O-N 3.12Å; E346-N350 PolarHBondContact O-ND2 3.04Å; E346-K366 IonicContact OE2-NZ 2.69Å
347	T	95.3	Very high	94.7	Very high	19 Å²	19	81.3 Å²	81.3	12%	0.117	42%	0.419	C	S	.	.	H	α-helix	trans	-61.1	-50.1	179.2	-51.7	0	0	0	0	111.4	V343 A344 N350 M351 V354 E363	V343-T347 PolarHBondContact O-N 3.04Å; V343-T347 PolarHBondContact O-OG1 3.13Å; A344-T347 PolarHBondContact O-N 3.28Å; T347-N350 CarbonylContact O-C 3.58Å; T347-N350 PolarHBondContact O-N 3.01Å; T347-M351 WeakPolarHBondContact O-CA 3.36Å; T347-M351 PolarHBondContact O-N 3.4Å; T347-V354 HydrophobicContact CG2-CG2 4.03Å; T347-E363 HydrophobicContact CG2-CB 3.82Å; T347-E363 HydrophobicContact CG2-CG 4.03Å; T347-E363 PolarHBondContact OG1-OE2 3.13Å
348	F	95.5	Very high	94.9	Very high	151 Å²	151	81.7 Å²	81.7	66%	0.662	43%	0.432	S	S	*	.	H	α-helix	trans	-71.4	-36.8	-177.9	-64	-40.4	0	0	0	113	A344 N350 M351	A344-F348 HydrophobicContact CB-CD2 4.43Å; A344-F348 HydrophobicContact CB-CE2 4.14Å; A344-F348 WeakPolarHBondContact O-CB 3.36Å; A344-F348 WeakPolarHBondContact O-CD2 3.33Å; A344-F348 WeakPolarHBondContact O-CG 3.5Å; A344-F348 PolarHBondContact O-N 2.94Å; F348-N350 PolarHBondContact O-N 3.09Å; F348-M351 WeakPolarHBondContact O-CB 3.39Å; F348-M351 PolarHBondContact O-N 2.82Å
349	S	92.1	Very high	95.2	Very high	92 Å²	92	82.6 Å²	82.6	64%	0.643	43%	0.429	S	S	*	.	H	α-helix	trans	-63.3	-31.6	175.5	-59.4	0	0	0	0	111.8	T345	T345-S349 WeakPolarHBondContact O-CB 3.46Å; T345-S349 PolarHBondContact O-N 2.88Å; T345-S349 PolarHBondContact O-OG 3.25Å
350	N	95.1	Very high	95.4	Very high	78 Å²	78	81.5 Å²	81.5	42%	0.417	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	28.5	-179.8	-61.4	-69.9	0	0	0	112.7	E346 T347 F348 K352 T353 V354	E346-N350 WeakPolarHBondContact O-CB 3.25Å; E346-N350 PolarHBondContact O-N 2.63Å; E346-N350 VanDerWaalsContact O-N 3.12Å; E346-N350 PolarHBondContact O-ND2 3.04Å; T347-N350 CarbonylContact O-C 3.58Å; T347-N350 PolarHBondContact O-N 3.01Å; F348-N350 PolarHBondContact O-N 3.09Å; N350-K352 PolarHBondContact O-N 3.43Å; N350-K352 VanDerWaalsContact O-N 3.1Å; N350-T353 WeakPolarHBondContact O-CA 3.5Å; N350-T353 VanDerWaalsContact O-CB 3.28Å; N350-T353 WeakPolarHBondContact O-CB 3.44Å; N350-T353 PolarHBondContact O-N 3.47Å; N350-V354 PolarHBondContact O-N 3.25Å
351	M	95.8	Very high	95.6	Very high	67 Å²	67	88.1 Å²	88.1	33%	0.33	46%	0.461	S	S	.	.	H	α-helix	trans	-57.2	-34.2	-172.8	-169.5	63.9	-175.3	0	0	113.2	T347 F348 T353 V354 R355	T347-M351 WeakPolarHBondContact O-CA 3.36Å; T347-M351 PolarHBondContact O-N 3.4Å; F348-M351 WeakPolarHBondContact O-CB 3.39Å; F348-M351 PolarHBondContact O-N 2.82Å; M351-T353 VanDerWaalsContact C-N 3.31Å; M351-T353 PolarHBondContact O-N 2.99Å; M351-V354 PolarHBondContact O-N 3.36Å; M351-R355 HydrophobicContact CE-CG 4.07Å; M351-R355 HydrophobicContact CG-CG 4.46Å; M351-R355 WeakPolarHBondContact O-CB 3.44Å; M351-R355 WeakPolarHBondContact O-CG 3.48Å; M351-R355 PolarHBondContact O-N 3.28Å
352	K	96.5	Very high	95.8	Very high	187 Å²	187	85.4 Å²	85.4	81%	0.813	45%	0.454	S	S	*	.	H	α-helix	trans	-61	-40.9	174.7	-68.8	-176.1	-177.6	178.3	0	111.9	N350 S356	N350-K352 PolarHBondContact O-N 3.43Å; N350-K352 VanDerWaalsContact O-N 3.1Å; K352-S356 VanDerWaalsContact O-CB 3.3Å; K352-S356 WeakPolarHBondContact O-CB 3.35Å; K352-S356 PolarHBondContact O-N 3.33Å; K352-S356 PolarHBondContact O-OG 3.49Å
353	T	97.6	Very high	96	Very high	70 Å²	70	81 Å²	81	43%	0.429	43%	0.433	S	S	.	.	H	α-helix	trans	-67.5	-47.7	176.1	-51.2	0	0	0	0	110.4	N350 M351 R355 S356 F357	N350-T353 WeakPolarHBondContact O-CA 3.5Å; N350-T353 VanDerWaalsContact O-CB 3.28Å; N350-T353 WeakPolarHBondContact O-CB 3.44Å; N350-T353 PolarHBondContact O-N 3.47Å; M351-T353 VanDerWaalsContact C-N 3.31Å; M351-T353 PolarHBondContact O-N 2.99Å; T353-R355 VanDerWaalsContact C-N 3.28Å; T353-R355 PolarHBondContact O-N 2.66Å; T353-S356 WeakPolarHBondContact CA-OG 3.45Å; T353-S356 PolarHBondContact O-N 2.87Å; T353-S356 VanDerWaalsContact O-N 3.14Å; T353-S356 PolarHBondContact O-OG 3.29Å; T353-F357 HydrophobicContact CG2-CD2 3.72Å; T353-F357 HydrophobicContact CG2-CE2 3.9Å; T353-F357 VanDerWaalsContact O-CD2 3.29Å; T353-F357 WeakPolarHBondContact O-CD2 3.17Å; T353-F357 PolarHBondContact O-N 2.94Å
354	V	97.8	Very high	96.1	Very high	14 Å²	14	84.8 Å²	84.8	9%	0.085	46%	0.457	C	S	.	.	H	α-helix	trans	-56.3	-45.8	178.4	179.6	0	0	0	0	110.7	T347 N350 M351 F357 A358 N359 E360 E363	T347-V354 HydrophobicContact CG2-CG2 4.03Å; N350-V354 PolarHBondContact O-N 3.25Å; M351-V354 PolarHBondContact O-N 3.36Å; V354-F357 PolarHBondContact O-N 3.37Å; V354-A358 PolarHBondContact O-N 3.1Å; V354-N359 PolarHBondContact O-N 2.86Å; V354-N359 VanDerWaalsContact O-N 3.12Å; V354-E360 HydrophobicContact CG1-CG 4.26Å; V354-E363 HydrophobicContact CG1-CG 4.24Å; V354-E363 HydrophobicContact CG2-CG 4.33Å
355	R	97.4	Very high	96.2	Very high	154 Å²	154	87.1 Å²	87.1	58%	0.581	47%	0.465	S	S	*	.	H	α-helix	trans	-66.2	-42.8	175.3	-70.9	-59.6	-162.8	176.1	-3.4	113.1	M351 T353 F357 A358 E360	M351-R355 HydrophobicContact CE-CG 4.07Å; M351-R355 HydrophobicContact CG-CG 4.46Å; M351-R355 WeakPolarHBondContact O-CB 3.44Å; M351-R355 WeakPolarHBondContact O-CG 3.48Å; M351-R355 PolarHBondContact O-N 3.28Å; T353-R355 VanDerWaalsContact C-N 3.28Å; T353-R355 PolarHBondContact O-N 2.66Å; R355-F357 PolarHBondContact O-N 3.16Å; R355-A358 PolarHBondContact O-N 2.91Å; R355-A358 VanDerWaalsContact O-N 3.17Å; R355-E360 WeakPolarHBondContact CD-OE1 3.44Å; R355-E360 IonicContact CZ-OE1 3.99Å; R355-E360 IonicContact NE-OE1 2.7Å; R355-E360 IonicContact NH1-OE1 2.7Å; R355-E360 PolarHBondContact NH1-OE1 2.74Å
356	S	97.8	Very high	96.3	Very high	88 Å²	88	86.7 Å²	86.7	62%	0.615	46%	0.456	S	S	*	.	H	α-helix	trans	-66.6	-25.5	-179	68.6	0	0	0	0	112.7	K352 T353	K352-S356 VanDerWaalsContact O-CB 3.3Å; K352-S356 WeakPolarHBondContact O-CB 3.35Å; K352-S356 PolarHBondContact O-N 3.33Å; K352-S356 PolarHBondContact O-OG 3.49Å; T353-S356 WeakPolarHBondContact CA-OG 3.45Å; T353-S356 PolarHBondContact O-N 2.87Å; T353-S356 VanDerWaalsContact O-N 3.14Å; T353-S356 PolarHBondContact O-OG 3.29Å
357	F	97.5	Very high	96.5	Very high	159 Å²	159	85.9 Å²	85.9	70%	0.697	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	3.4	176	-75.3	-86.6	0	0	0	113.7	T353 V354 R355 N359	T353-F357 HydrophobicContact CG2-CD2 3.72Å; T353-F357 HydrophobicContact CG2-CE2 3.9Å; T353-F357 VanDerWaalsContact O-CD2 3.29Å; T353-F357 WeakPolarHBondContact O-CD2 3.17Å; T353-F357 PolarHBondContact O-N 2.94Å; V354-F357 PolarHBondContact O-N 3.37Å; R355-F357 PolarHBondContact O-N 3.16Å; F357-N359 PolarHBondContact O-N 3.14Å
358	A	97.2	Very high	96.6	Very high	77 Å²	77	91 Å²	91	64%	0.636	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	39.5	-178.8	0	0	0	0	0	114	V354 R355 E360	V354-A358 PolarHBondContact O-N 3.1Å; R355-A358 PolarHBondContact O-N 2.91Å; R355-A358 VanDerWaalsContact O-N 3.17Å; A358-E360 WeakPolarHBondContact CA-OE2 3.49Å
359	N	96.9	Very high	96.7	Very high	72 Å²	72	88.6 Å²	88.6	39%	0.385	46%	0.457	S	S	.	.			trans	-104	27.7	-174.9	-166.9	45.9	0	0	0	113.2	V354 F357 D361 G362 E363	V354-N359 PolarHBondContact O-N 2.86Å; V354-N359 VanDerWaalsContact O-N 3.12Å; F357-N359 PolarHBondContact O-N 3.14Å; N359-D361 VanDerWaalsContact C-N 3.32Å; N359-D361 PolarHBondContact O-N 2.91Å; N359-G362 PolarHBondContact O-N 2.9Å; N359-E363 PolarHBondContact O-N 2.98Å; N359-E363 VanDerWaalsContact O-N 3.13Å
360	E	97.3	Very high	96.8	Very high	54 Å²	54	88.2 Å²	88.2	25%	0.252	44%	0.441	S	S	.	.	H	α-helix	trans	-59.8	-42.1	-179	-62.7	92.4	146.5	0	0	112.1	V354 R355 A358 T364	V354-E360 HydrophobicContact CG1-CG 4.26Å; R355-E360 WeakPolarHBondContact CD-OE1 3.44Å; R355-E360 IonicContact CZ-OE1 3.99Å; R355-E360 IonicContact NE-OE1 2.7Å; R355-E360 IonicContact NH1-OE1 2.7Å; R355-E360 PolarHBondContact NH1-OE1 2.74Å; A358-E360 WeakPolarHBondContact CA-OE2 3.49Å; E360-T364 WeakPolarHBondContact O-CB 3.42Å; E360-T364 PolarHBondContact O-N 3.31Å; E360-T364 PolarHBondContact O-OG1 2.73Å
361	D	97.7	Very high	96.8	Very high	139 Å²	139	87.8 Å²	87.8	74%	0.743	44%	0.439	S	S	*	.	H	α-helix	trans	-68.4	-37.4	179.3	-66.3	-33.5	0	0	0	111.8	N359 T364 E365	N359-D361 VanDerWaalsContact C-N 3.32Å; N359-D361 PolarHBondContact O-N 2.91Å; D361-T364 WeakPolarHBondContact O-CB 3.18Å; D361-T364 PolarHBondContact O-N 3.42Å; D361-E365 WeakPolarHBondContact O-CB 3.16Å; D361-E365 PolarHBondContact O-N 3.27Å
362	G	96.4	Very high	96.9	Very high	33 Å²	33	88.5 Å²	88.5	34%	0.34	44%	0.444	S	S	.	.	H	α-helix	trans	-64.9	-43.8	177.8	0	0	0	0	0	112.6	N359 E365 K366	N359-G362 PolarHBondContact O-N 2.9Å; G362-E365 PolarHBondContact O-N 3.32Å; G362-K366 WeakPolarHBondContact O-CB 3.23Å; G362-K366 PolarHBondContact O-N 3.28Å
363	E	97.1	Very high	96.7	Very high	37 Å²	37	84 Å²	84	17%	0.173	43%	0.426	C	S	.	.	H	α-helix	trans	-69.1	-35.2	174.6	-66.4	-58.5	147.7	0	0	112	T347 V354 N359 K366 Y367	T347-E363 HydrophobicContact CG2-CB 3.82Å; T347-E363 HydrophobicContact CG2-CG 4.03Å; T347-E363 PolarHBondContact OG1-OE2 3.13Å; V354-E363 HydrophobicContact CG1-CG 4.24Å; V354-E363 HydrophobicContact CG2-CG 4.33Å; N359-E363 PolarHBondContact O-N 2.98Å; N359-E363 VanDerWaalsContact O-N 3.13Å; E363-K366 PolarHBondContact O-N 2.99Å; E363-Y367 PolarHBondContact O-N 3.4Å
364	T	96.8	Very high	96.6	Very high	89 Å²	89	80.9 Å²	80.9	55%	0.546	41%	0.406	S	S	.	.	H	α-helix	trans	-61.1	-46	174	-60.7	0	0	0	0	111.4	E360 D361 Y367 R368	E360-T364 WeakPolarHBondContact O-CB 3.42Å; E360-T364 PolarHBondContact O-N 3.31Å; E360-T364 PolarHBondContact O-OG1 2.73Å; D361-T364 WeakPolarHBondContact O-CB 3.18Å; D361-T364 PolarHBondContact O-N 3.42Å; T364-Y367 PolarHBondContact O-N 3.45Å; T364-R368 WeakPolarHBondContact O-CB 3.28Å; T364-R368 PolarHBondContact O-N 3.34Å
365	E	97.2	Very high	96.5	Very high	66 Å²	66	86.5 Å²	86.5	31%	0.308	43%	0.427	S	S	.	.	H	α-helix	trans	-65.3	-42	178	179	56.5	-156.4	0	0	112	D361 G362 Y367 R368 Q369	D361-E365 WeakPolarHBondContact O-CB 3.16Å; D361-E365 PolarHBondContact O-N 3.27Å; G362-E365 PolarHBondContact O-N 3.32Å; E365-Y367 VanDerWaalsContact C-N 3.32Å; E365-Y367 PolarHBondContact O-N 2.71Å; E365-R368 WeakPolarHBondContact O-CB 3.32Å; E365-R368 PolarHBondContact O-N 3.46Å; E365-R368 IonicContact OE1-CZ 3.9Å; E365-R368 IonicContact OE1-NE 3.28Å; E365-R368 IonicContact OE1-NH2 2.7Å; E365-R368 PolarHBondContact OE1-NH2 3.36Å; E365-R368 IonicContact OE2-CZ 3.74Å; E365-R368 IonicContact OE2-NE 2.66Å; E365-R368 PolarHBondContact OE2-NE 3.01Å; E365-R368 IonicContact OE2-NH2 3.17Å; E365-R368 PolarHBondContact OE2-NH2 3.3Å; E365-Q369 WeakPolarHBondContact O-CG 3.02Å; E365-Q369 PolarHBondContact O-N 2.91Å; E365-Q369 PolarHBondContact OE1-NE2 2.97Å
366	K	95.8	Very high	96.3	Very high	77 Å²	77	82 Å²	82	34%	0.335	42%	0.419	S	S	.	.	H	α-helix	trans	-60.4	-41.2	175.8	-171.2	-178.7	177.2	-167.9	0	111.8	V343 E346 G362 E363 R370	V343-K366 HydrophobicContact CG1-CD 4.18Å; V343-K366 HydrophobicContact CG1-CG 4.2Å; V343-K366 HydrophobicContact CG2-CG 4.43Å; E346-K366 IonicContact OE2-NZ 2.69Å; G362-K366 WeakPolarHBondContact O-CB 3.23Å; G362-K366 PolarHBondContact O-N 3.28Å; E363-K366 PolarHBondContact O-N 2.99Å; K366-R370 WeakPolarHBondContact O-CG 3.37Å; K366-R370 PolarHBondContact O-N 2.96Å
367	Y	97	Very high	96.1	Very high	81 Å²	81	79.4 Å²	79.4	32%	0.318	40%	0.398	S	S	.	.	H	α-helix	trans	-67.1	-43.2	174.3	-173.2	-108.2	0	0	0	111.7	A340 V343 A344 E363 T364 E365 Q369 R370 L371	A340-Y367 HydrophobicContact CB-CD2 4.41Å; A340-Y367 HydrophobicContact CB-CE2 3.95Å; A340-Y367 WeakPolarHBondContact O-CD2 3.49Å; A340-Y367 VanDerWaalsContact O-CE2 3.25Å; A340-Y367 WeakPolarHBondContact O-CE2 3.35Å; V343-Y367 HydrophobicContact CB-CD2 4.43Å; A344-Y367 HydrophobicContact CB-CD2 4.27Å; A344-Y367 HydrophobicContact CB-CE2 3.95Å; E363-Y367 PolarHBondContact O-N 3.4Å; T364-Y367 PolarHBondContact O-N 3.45Å; E365-Y367 VanDerWaalsContact C-N 3.32Å; E365-Y367 PolarHBondContact O-N 2.71Å; Y367-Q369 VanDerWaalsContact C-N 3.35Å; Y367-Q369 PolarHBondContact O-N 3.11Å; Y367-R370 PolarHBondContact O-N 3.25Å; Y367-R370 VanDerWaalsContact O-N 3.16Å; Y367-L371 HydrophobicContact CD1-CD1 3.81Å; Y367-L371 HydrophobicContact CD1-CG 4.22Å; Y367-L371 HydrophobicContact CE1-CD1 3.42Å; Y367-L371 VanDerWaalsContact CE1-CD1 3.42Å; Y367-L371 HydrophobicContact CE1-CD2 4.33Å; Y367-L371 HydrophobicContact CE1-CG 3.92Å; Y367-L371 PolarHBondContact O-N 3.22Å
368	R	97.4	Very high	95.9	Very high	125 Å²	125	74.8 Å²	74.8	47%	0.472	38%	0.381	S	S	.	.	H	α-helix	trans	-57.1	-44.8	176.9	-171	177.2	73	89.2	-4.8	112.3	T364 E365 R370 L371 D372	T364-R368 WeakPolarHBondContact O-CB 3.28Å; T364-R368 PolarHBondContact O-N 3.34Å; E365-R368 WeakPolarHBondContact O-CB 3.32Å; E365-R368 PolarHBondContact O-N 3.46Å; E365-R368 IonicContact OE1-CZ 3.9Å; E365-R368 IonicContact OE1-NE 3.28Å; E365-R368 IonicContact OE1-NH2 2.7Å; E365-R368 PolarHBondContact OE1-NH2 3.36Å; E365-R368 IonicContact OE2-CZ 3.74Å; E365-R368 IonicContact OE2-NE 2.66Å; E365-R368 PolarHBondContact OE2-NE 3.01Å; E365-R368 IonicContact OE2-NH2 3.17Å; E365-R368 PolarHBondContact OE2-NH2 3.3Å; R368-R370 VanDerWaalsContact C-N 3.31Å; R368-R370 PolarHBondContact O-N 3.21Å; R368-L371 WeakPolarHBondContact O-CB 3.33Å; R368-L371 PolarHBondContact O-N 3.36Å; R368-L371 VanDerWaalsContact O-N 3.1Å; R368-D372 IonicContact NH1-OD2 3.25Å; R368-D372 PolarHBondContact O-N 2.95Å
369	Q	96.1	Very high	95.8	Very high	102 Å²	102	76.5 Å²	76.5	48%	0.477	37%	0.374	S	S	.	.	H	α-helix	trans	-59.6	-40.2	177.5	-71.7	172.7	9.6	0	0	112.5	E365 Y367 L371 D372 E373	E365-Q369 WeakPolarHBondContact O-CG 3.02Å; E365-Q369 PolarHBondContact O-N 2.91Å; E365-Q369 PolarHBondContact OE1-NE2 2.97Å; Y367-Q369 VanDerWaalsContact C-N 3.35Å; Y367-Q369 PolarHBondContact O-N 3.11Å; Q369-L371 VanDerWaalsContact C-N 3.35Å; Q369-D372 PolarHBondContact O-N 3.35Å; Q369-E373 WeakPolarHBondContact O-CG 3.31Å; Q369-E373 PolarHBondContact O-N 2.93Å; Q369-E373 VanDerWaalsContact O-N 3.12Å
370	R	94.8	Very high	95.6	Very high	84 Å²	84	79 Å²	79	32%	0.317	38%	0.381	S	S	.	.	H	α-helix	trans	-67.2	-35.1	175.1	-63.9	-59.1	-168.2	174.3	0.5	112.7	A340 V343 K366 Y367 R368 E373 T374	A340-R370 HydrophobicContact CB-CB 3.78Å; V343-R370 HydrophobicContact CG2-CG 4.3Å; K366-R370 WeakPolarHBondContact O-CG 3.37Å; K366-R370 PolarHBondContact O-N 2.96Å; Y367-R370 PolarHBondContact O-N 3.25Å; Y367-R370 VanDerWaalsContact O-N 3.16Å; R368-R370 VanDerWaalsContact C-N 3.31Å; R368-R370 PolarHBondContact O-N 3.21Å; R370-E373 IonicContact NH1-OE2 3.08Å; R370-E373 PolarHBondContact NH1-OE2 3.38Å; R370-T374 PolarHBondContact O-N 3.42Å; R370-T374 VanDerWaalsContact O-N 3.12Å; R370-T374 PolarHBondContact O-OG1 3.32Å
371	L	95.7	Very high	95.3	Very high	69 Å²	69	78.4 Å²	78.4	36%	0.361	38%	0.378	S	S	.	.	H	α-helix	trans	-68.7	-38.4	174.2	-71.2	-177.7	0	0	0	112	A340 Y367 R368 Q369 T374 Y375	A340-L371 HydrophobicContact CB-CD2 4.38Å; Y367-L371 HydrophobicContact CD1-CD1 3.81Å; Y367-L371 HydrophobicContact CD1-CG 4.22Å; Y367-L371 HydrophobicContact CE1-CD1 3.42Å; Y367-L371 VanDerWaalsContact CE1-CD1 3.42Å; Y367-L371 HydrophobicContact CE1-CD2 4.33Å; Y367-L371 HydrophobicContact CE1-CG 3.92Å; Y367-L371 PolarHBondContact O-N 3.22Å; R368-L371 WeakPolarHBondContact O-CB 3.33Å; R368-L371 PolarHBondContact O-N 3.36Å; R368-L371 VanDerWaalsContact O-N 3.1Å; Q369-L371 VanDerWaalsContact C-N 3.35Å; L371-T374 CarbonylContact O-C 3.58Å; L371-T374 WeakPolarHBondContact O-CB 3.43Å; L371-T374 PolarHBondContact O-N 2.9Å; L371-Y375 WeakPolarHBondContact O-CB 3.43Å; L371-Y375 PolarHBondContact O-N 3.43Å
372	D	96.4	Very high	95	Very high	81 Å²	81	74.5 Å²	74.5	43%	0.433	37%	0.366	S	S	.	.	H	α-helix	trans	-64.2	-41.5	176.3	-77.5	-25.5	0	0	0	111.8	R368 Q369 T374 Y375 S376	R368-D372 IonicContact NH1-OD2 3.25Å; R368-D372 PolarHBondContact O-N 2.95Å; Q369-D372 PolarHBondContact O-N 3.35Å; D372-T374 VanDerWaalsContact C-N 3.33Å; D372-T374 PolarHBondContact O-N 3.5Å; D372-Y375 PolarHBondContact O-N 3.21Å; D372-S376 PolarHBondContact O-N 2.84Å
373	E	93.9	Very high	94.8	Very high	93 Å²	93	78 Å²	78	44%	0.435	38%	0.38	S	S	.	.	H	α-helix	trans	-55.5	-49.4	170.5	-72.5	177.3	171.1	0	0	110.8	Q369 R370 Y375 S376 L377	Q369-E373 WeakPolarHBondContact O-CG 3.31Å; Q369-E373 PolarHBondContact O-N 2.93Å; Q369-E373 VanDerWaalsContact O-N 3.12Å; R370-E373 IonicContact NH1-OE2 3.08Å; R370-E373 PolarHBondContact NH1-OE2 3.38Å; E373-Y375 PolarHBondContact O-N 2.96Å; E373-S376 PolarHBondContact O-N 3.02Å; E373-S376 PolarHBondContact O-OG 3.41Å; E373-L377 PolarHBondContact O-N 3.04Å
374	T	94.5	Very high	94.4	Very high	4 Å²	4	76.5 Å²	76.5	3%	0.025	37%	0.374	C	S	.	.	H	α-helix	trans	-61.6	-43.4	178.9	-55.9	0	0	0	0	111.7	V333 S336 L337 R370 L371 D372 S376 L377 N378	V333-T374 HydrophobicContact CG1-CG2 4.48Å; S336-T374 WeakPolarHBondContact OG-CA 3.35Å; S336-T374 PolarHBondContact OG-N 2.97Å; S336-T374 PolarHBondContact OG-OG1 3.12Å; L337-T374 HydrophobicContact CD1-CG2 4.48Å; L337-T374 HydrophobicContact CD2-CG2 3.69Å; L337-T374 HydrophobicContact CG-CG2 3.65Å; R370-T374 PolarHBondContact O-N 3.42Å; R370-T374 VanDerWaalsContact O-N 3.12Å; R370-T374 PolarHBondContact O-OG1 3.32Å; L371-T374 CarbonylContact O-C 3.58Å; L371-T374 WeakPolarHBondContact O-CB 3.43Å; L371-T374 PolarHBondContact O-N 2.9Å; D372-T374 VanDerWaalsContact C-N 3.33Å; D372-T374 PolarHBondContact O-N 3.5Å; T374-S376 VanDerWaalsContact C-N 3.32Å; T374-S376 PolarHBondContact O-N 3.18Å; T374-L377 PolarHBondContact O-N 2.63Å; T374-L377 VanDerWaalsContact O-N 3.12Å; T374-N378 PolarHBondContact O-N 2.95Å
375	Y	95.4	Very high	94	Very high	133 Å²	133	78.7 Å²	78.7	52%	0.522	37%	0.374	S	S	.	.	H	α-helix	trans	-61.9	-39.9	179.1	179	-123.8	0	0	0	112	L371 D372 E373 L377 N378 K379	L371-Y375 WeakPolarHBondContact O-CB 3.43Å; L371-Y375 PolarHBondContact O-N 3.43Å; D372-Y375 PolarHBondContact O-N 3.21Å; E373-Y375 PolarHBondContact O-N 2.96Å; Y375-L377 VanDerWaalsContact C-N 3.26Å; Y375-L377 PolarHBondContact O-N 3.17Å; Y375-N378 PolarHBondContact O-N 3.2Å; Y375-K379 HydrophobicContact CE1-CD 4.48Å; Y375-K379 HydrophobicContact CE2-CG 4.45Å; Y375-K379 PolarHBondContact O-N 3.47Å; Y375-K379 VanDerWaalsContact O-N 3.1Å; Y375-K379 WeakPolarHBondContact OH-CE 3.43Å
376	S	94.3	Very high	93.6	Very high	58 Å²	58	78.2 Å²	78.2	41%	0.406	38%	0.381	S	S	.	.	H	α-helix	trans	-62.8	-33.4	175.9	82.6	0	0	0	0	112.9	D372 E373 T374	D372-S376 PolarHBondContact O-N 2.84Å; E373-S376 PolarHBondContact O-N 3.02Å; E373-S376 PolarHBondContact O-OG 3.41Å; T374-S376 VanDerWaalsContact C-N 3.32Å; T374-S376 PolarHBondContact O-N 3.18Å
377	L	92.9	Very high	93.3	Very high	35 Å²	35	76.8 Å²	76.8	18%	0.183	38%	0.383	C	S	.	.	H	α-helix	trans	-77.3	-42.4	176.1	-66.8	170.6	0	0	0	111.5	K332 V333 E373 T374 Y375 K379 K380 E381	K332-L377 HydrophobicContact CB-CD1 4.33Å; K332-L377 HydrophobicContact CB-CD2 4.46Å; V333-L377 HydrophobicContact CG2-CB 3.76Å; E373-L377 PolarHBondContact O-N 3.04Å; T374-L377 PolarHBondContact O-N 2.63Å; T374-L377 VanDerWaalsContact O-N 3.12Å; Y375-L377 VanDerWaalsContact C-N 3.26Å; Y375-L377 PolarHBondContact O-N 3.17Å; L377-K379 VanDerWaalsContact C-N 3.26Å; L377-K379 PolarHBondContact O-N 3.25Å; L377-K380 WeakPolarHBondContact O-CA 3.47Å; L377-K380 WeakPolarHBondContact O-CB 3.21Å; L377-K380 PolarHBondContact O-N 3.17Å; L377-E381 PolarHBondContact O-N 3.29Å
378	N	92.8	Very high	92.6	Very high	62 Å²	62	73.9 Å²	73.9	33%	0.332	38%	0.375	S	S	.	.	H	α-helix	trans	-55.6	-39.3	175.2	-82	-15	0	0	0	112.1	V333 T374 Y375 K380 E381 A382	V333-N378 WeakPolarHBondContact CG1-OD1 3.36Å; T374-N378 PolarHBondContact O-N 2.95Å; Y375-N378 PolarHBondContact O-N 3.2Å; N378-K380 VanDerWaalsContact C-N 3.33Å; N378-K380 PolarHBondContact O-N 3.25Å; N378-E381 PolarHBondContact O-N 3.27Å; N378-A382 VanDerWaalsContact O-CB 3.32Å; N378-A382 WeakPolarHBondContact O-CB 3.42Å; N378-A382 PolarHBondContact O-N 3.05Å
379	K	94.8	Very high	92.1	Very high	113 Å²	113	70.6 Å²	70.6	49%	0.491	37%	0.369	S	S	.	.	H	α-helix	trans	-59.2	-44.6	174.1	-73.5	-176.4	-176.4	178.9	0	112.3	Y375 L377 A382 V383	Y375-K379 HydrophobicContact CE1-CD 4.48Å; Y375-K379 HydrophobicContact CE2-CG 4.45Å; Y375-K379 PolarHBondContact O-N 3.47Å; Y375-K379 VanDerWaalsContact O-N 3.1Å; Y375-K379 WeakPolarHBondContact OH-CE 3.43Å; L377-K379 VanDerWaalsContact C-N 3.26Å; L377-K379 PolarHBondContact O-N 3.25Å; K379-A382 PolarHBondContact O-N 2.87Å; K379-V383 WeakPolarHBondContact O-CG2 3.15Å; K379-V383 PolarHBondContact O-N 2.9Å; K379-V383 VanDerWaalsContact O-N 3.17Å
380	K	92.6	Very high	91.7	Very high	123 Å²	123	73.9 Å²	73.9	54%	0.535	38%	0.377	S	S	.	.	H	α-helix	trans	-67.9	-39.1	178.7	-64.2	175.3	-177.9	172.3	0	111.1	I329 L377 N378 V383 A384	I329-K380 HydrophobicContact CD1-CB 3.87Å; I329-K380 HydrophobicContact CG2-CB 4.21Å; L377-K380 WeakPolarHBondContact O-CA 3.47Å; L377-K380 WeakPolarHBondContact O-CB 3.21Å; L377-K380 PolarHBondContact O-N 3.17Å; N378-K380 VanDerWaalsContact C-N 3.33Å; N378-K380 PolarHBondContact O-N 3.25Å; K380-V383 PolarHBondContact O-N 3.03Å; K380-A384 WeakPolarHBondContact O-CB 3.24Å; K380-A384 PolarHBondContact O-N 3.5Å
381	E	91.1	Very high	91.2	Very high	42 Å²	42	70.3 Å²	70.3	20%	0.196	37%	0.366	C	S	.	.	H	α-helix	trans	-63	-45.5	175.5	-168.9	-173.9	-179.6	0	0	111.4	H326 I329 A330 V333 L377 N378 V383 A384 Y385	H326-E381 IonicContact CE1-OE1 3.95Å; I329-E381 HydrophobicContact CG2-CB 3.81Å; I329-E381 HydrophobicContact CG2-CG 4.46Å; A330-E381 HydrophobicContact CB-CG 4.46Å; A330-E381 VanDerWaalsContact CB-OE1 3.31Å; A330-E381 WeakPolarHBondContact CB-OE1 3.37Å; V333-E381 HydrophobicContact CG2-CB 4.14Å; V333-E381 WeakPolarHBondContact CG2-OE2 3.3Å; L377-E381 PolarHBondContact O-N 3.29Å; N378-E381 PolarHBondContact O-N 3.27Å; E381-V383 VanDerWaalsContact C-N 3.33Å; E381-V383 PolarHBondContact O-N 2.83Å; E381-A384 CarbonylContact O-C 3.5Å; E381-A384 WeakPolarHBondContact O-CB 3.22Å; E381-A384 PolarHBondContact O-N 2.81Å; E381-A384 VanDerWaalsContact O-N 3.15Å; E381-Y385 VanDerWaalsContact O-CB 3.31Å; E381-Y385 WeakPolarHBondContact O-CB 3.25Å; E381-Y385 PolarHBondContact O-N 2.93Å
382	A	91.4	Very high	90.6	Very high	58 Å²	58	69.4 Å²	69.4	48%	0.479	36%	0.361	S	S	.	.	H	α-helix	trans	-60.4	-42.5	179	0	0	0	0	0	111.7	N378 K379 Y385 A386	N378-A382 VanDerWaalsContact O-CB 3.32Å; N378-A382 WeakPolarHBondContact O-CB 3.42Å; N378-A382 PolarHBondContact O-N 3.05Å; K379-A382 PolarHBondContact O-N 2.87Å; A382-Y385 PolarHBondContact O-N 3.19Å; A382-A386 VanDerWaalsContact O-CB 3.32Å; A382-A386 WeakPolarHBondContact O-CB 3.5Å; A382-A386 PolarHBondContact O-N 2.76Å
383	V	92.5	Very high	90	Very high	106 Å²	106	68.1 Å²	68.1	64%	0.642	36%	0.358	S	S	*	.	H	α-helix	trans	-64.5	-44.8	173.9	173.6	0	0	0	0	111.1	K379 K380 E381 Y385 A386 A387	K379-V383 WeakPolarHBondContact O-CG2 3.15Å; K379-V383 PolarHBondContact O-N 2.9Å; K379-V383 VanDerWaalsContact O-N 3.17Å; K380-V383 PolarHBondContact O-N 3.03Å; E381-V383 VanDerWaalsContact C-N 3.33Å; E381-V383 PolarHBondContact O-N 2.83Å; V383-Y385 VanDerWaalsContact C-N 3.34Å; V383-Y385 PolarHBondContact O-N 2.92Å; V383-A386 PolarHBondContact O-N 2.92Å; V383-A387 WeakPolarHBondContact O-CB 3.37Å; V383-A387 PolarHBondContact O-N 3.37Å
384	A	88.6	Confident	89.6	Confident	6 Å²	6	67.8 Å²	67.8	5%	0.05	36%	0.358	C	S	.	.	H	α-helix	trans	-62	-41.4	177.6	0	0	0	0	0	112.1	F325 H326 K380 E381 S388	F325-A384 HydrophobicContact CD1-CB 3.68Å; F325-A384 HydrophobicContact CE1-CB 3.87Å; H326-A384 HydrophobicContact CB-CB 4.14Å; K380-A384 WeakPolarHBondContact O-CB 3.24Å; K380-A384 PolarHBondContact O-N 3.5Å; E381-A384 CarbonylContact O-C 3.5Å; E381-A384 WeakPolarHBondContact O-CB 3.22Å; E381-A384 PolarHBondContact O-N 2.81Å; E381-A384 VanDerWaalsContact O-N 3.15Å; A384-S388 VanDerWaalsContact O-CB 3.32Å; A384-S388 WeakPolarHBondContact O-CB 3.43Å; A384-S388 PolarHBondContact O-N 2.89Å
385	Y	88.1	Confident	89.1	Confident	135 Å²	135	68.5 Å²	68.5	53%	0.529	36%	0.362	S	S	.	.	H	α-helix	trans	-63.9	-48.3	175.9	173	-99.6	0	0	0	111.5	E381 A382 V383 A387 S388 T389	E381-Y385 VanDerWaalsContact O-CB 3.31Å; E381-Y385 WeakPolarHBondContact O-CB 3.25Å; E381-Y385 PolarHBondContact O-N 2.93Å; A382-Y385 PolarHBondContact O-N 3.19Å; V383-Y385 VanDerWaalsContact C-N 3.34Å; V383-Y385 PolarHBondContact O-N 2.92Å; Y385-A387 VanDerWaalsContact C-N 3.35Å; Y385-A387 PolarHBondContact O-N 3.06Å; Y385-S388 PolarHBondContact O-N 3.19Å; Y385-T389 WeakPolarHBondContact O-CB 3.25Å; Y385-T389 PolarHBondContact O-N 3.39Å; Y385-T389 PolarHBondContact O-OG1 3.15Å
386	A	90.2	Very high	88.4	Confident	56 Å²	56	63.9 Å²	63.9	46%	0.463	35%	0.348	S	S	.	.	H	α-helix	trans	-60.7	-44.2	178	0	0	0	0	0	111.5	A382 V383 T389 W390	A382-A386 VanDerWaalsContact O-CB 3.32Å; A382-A386 WeakPolarHBondContact O-CB 3.5Å; A382-A386 PolarHBondContact O-N 2.76Å; V383-A386 PolarHBondContact O-N 2.92Å; A386-T389 PolarHBondContact O-N 3.28Å; A386-W390 VanDerWaalsContact O-CB 3.23Å; A386-W390 WeakPolarHBondContact O-CB 3.36Å; A386-W390 PolarHBondContact O-N 2.89Å
387	A	88.3	Confident	88	Confident	47 Å²	47	65.5 Å²	65.5	39%	0.388	35%	0.351	S	S	.	.	H	α-helix	trans	-63.5	-43.2	176.8	0	0	0	0	0	112.4	V383 Y385 A391	V383-A387 WeakPolarHBondContact O-CB 3.37Å; V383-A387 PolarHBondContact O-N 3.37Å; Y385-A387 VanDerWaalsContact C-N 3.35Å; Y385-A387 PolarHBondContact O-N 3.06Å; A387-A391 VanDerWaalsContact O-CB 3.3Å; A387-A391 WeakPolarHBondContact O-CB 3.45Å; A387-A391 PolarHBondContact O-N 3.35Å
388	S	83.9	Confident	87.7	Confident	19 Å²	19	66.4 Å²	66.4	13%	0.133	36%	0.364	C	S	.	.	H	α-helix	trans	-62.4	-47.4	176.3	-175.8	0	0	0	0	111.9	A384 Y385 W390 A391 N392	A384-S388 VanDerWaalsContact O-CB 3.32Å; A384-S388 WeakPolarHBondContact O-CB 3.43Å; A384-S388 PolarHBondContact O-N 2.89Å; Y385-S388 PolarHBondContact O-N 3.19Å; S388-W390 PolarHBondContact O-N 3.19Å; S388-A391 PolarHBondContact O-N 3.1Å; S388-N392 PolarHBondContact O-N 3.41Å
389	T	85.4	Confident	87.2	Confident	56 Å²	56	64.4 Å²	64.4	34%	0.344	35%	0.353	S	S	.	.	H	α-helix	trans	-64.4	-42.7	179.4	-54.9	0	0	0	0	111.6	Y385 A386 S393	Y385-T389 WeakPolarHBondContact O-CB 3.25Å; Y385-T389 PolarHBondContact O-N 3.39Å; Y385-T389 PolarHBondContact O-OG1 3.15Å; A386-T389 PolarHBondContact O-N 3.28Å; T389-S393 WeakPolarHBondContact O-CB 3.48Å; T389-S393 PolarHBondContact O-N 3.16Å; T389-S393 PolarHBondContact O-OG 2.92Å
390	W	88.6	Confident	86.7	Confident	171 Å²	171	62.4 Å²	62.4	65%	0.648	34%	0.344	S	S	*	.	H	α-helix	trans	-62	-47.1	175	171	74.7	0	0	0	111.4	A386 S388 N392 S393 M394	A386-W390 VanDerWaalsContact O-CB 3.23Å; A386-W390 WeakPolarHBondContact O-CB 3.36Å; A386-W390 PolarHBondContact O-N 2.89Å; S388-W390 PolarHBondContact O-N 3.19Å; W390-N392 PolarHBondContact O-N 3.35Å; W390-S393 PolarHBondContact O-N 3.39Å; W390-M394 HydrophobicContact CD2-CG 4.18Å; W390-M394 HydrophobicContact CG-CG 4.31Å; W390-M394 HydrophobicContact CZ2-CG 4.04Å; W390-M394 WeakPolarHBondContact O-CB 3.46Å; W390-M394 VanDerWaalsContact O-CG 3.31Å; W390-M394 WeakPolarHBondContact O-CG 3.31Å; W390-M394 PolarHBondContact O-N 3.42Å
391	A	84.9	Confident	86.4	Confident	10 Å²	10	61.3 Å²	61.3	8%	0.083	35%	0.348	C	S	.	.	H	α-helix	trans	-59.7	-46.7	178.4	0	0	0	0	0	111.7	I318 T322 A387 S388 S393 M394 T395	I318-A391 HydrophobicContact CG2-CB 3.88Å; T322-A391 HydrophobicContact CG2-CB 4.23Å; A387-A391 VanDerWaalsContact O-CB 3.3Å; A387-A391 WeakPolarHBondContact O-CB 3.45Å; A387-A391 PolarHBondContact O-N 3.35Å; S388-A391 PolarHBondContact O-N 3.1Å; A391-S393 PolarHBondContact O-N 3.19Å; A391-M394 PolarHBondContact O-N 3.36Å; A391-T395 PolarHBondContact O-N 3.27Å; A391-T395 PolarHBondContact O-OG1 3.15Å
392	N	81.9	Confident	86.1	Confident	50 Å²	50	62.6 Å²	62.6	27%	0.267	36%	0.361	S	S	.	.	H	α-helix	trans	-60.7	-44.6	176.9	-170.1	45	0	0	0	112.5	P319 S388 W390 T396	P319-N392 HydrophobicContact CG-CB 4.09Å; P319-N392 WeakPolarHBondContact CG-OD1 3.44Å; S388-N392 PolarHBondContact O-N 3.41Å; W390-N392 PolarHBondContact O-N 3.35Å; N392-T396 WeakPolarHBondContact O-CB 3.09Å; N392-T396 PolarHBondContact O-N 3.06Å; N392-T396 PolarHBondContact O-OG1 2.82Å
393	S	84.8	Confident	85.8	Confident	53 Å²	53	59.9 Å²	59.9	37%	0.371	34%	0.338	S	S	.	.	H	α-helix	trans	-65.2	-43.7	179.3	-58.1	0	0	0	0	111.8	T389 W390 A391 T396 L397	T389-S393 WeakPolarHBondContact O-CB 3.48Å; T389-S393 PolarHBondContact O-N 3.16Å; T389-S393 PolarHBondContact O-OG 2.92Å; W390-S393 PolarHBondContact O-N 3.39Å; A391-S393 PolarHBondContact O-N 3.19Å; S393-T396 PolarHBondContact O-N 2.94Å; S393-L397 WeakPolarHBondContact O-CB 3.05Å; S393-L397 WeakPolarHBondContact O-CG 3.42Å; S393-L397 PolarHBondContact O-N 3.4Å
394	M	85.2	Confident	85.6	Confident	87 Å²	87	59.7 Å²	59.7	43%	0.429	33%	0.333	S	S	.	.	H	α-helix	trans	-63.6	-45.4	177.7	-75.2	-63	102.6	0	0	111.9	W390 A391 T396 L397 A398	W390-M394 HydrophobicContact CD2-CG 4.18Å; W390-M394 HydrophobicContact CG-CG 4.31Å; W390-M394 HydrophobicContact CZ2-CG 4.04Å; W390-M394 WeakPolarHBondContact O-CB 3.46Å; W390-M394 VanDerWaalsContact O-CG 3.31Å; W390-M394 WeakPolarHBondContact O-CG 3.31Å; W390-M394 PolarHBondContact O-N 3.42Å; A391-M394 PolarHBondContact O-N 3.36Å; M394-T396 VanDerWaalsContact C-N 3.34Å; M394-T396 PolarHBondContact O-N 3.47Å; M394-L397 HydrophobicContact CE-CD1 3.93Å; M394-L397 PolarHBondContact O-N 2.81Å; M394-A398 VanDerWaalsContact O-CB 3.28Å; M394-A398 WeakPolarHBondContact O-CB 3.21Å; M394-A398 PolarHBondContact O-N 3.39Å
395	T	83.1	Confident	85.5	Confident	18 Å²	18	68 Å²	68	11%	0.11	36%	0.364	C	S	.	.	H	α-helix	trans	-62.9	-41.8	178.6	-58.7	0	0	0	0	111.7	I314 I315 I318 A391 A398 L399	I314-T395 HydrophobicContact CG2-CG2 3.88Å; I315-T395 HydrophobicContact CG1-CG2 4.09Å; I318-T395 HydrophobicContact CD1-CG2 4.34Å; A391-T395 PolarHBondContact O-N 3.27Å; A391-T395 PolarHBondContact O-OG1 3.15Å; T395-A398 PolarHBondContact O-N 3.46Å; T395-L399 PolarHBondContact O-N 2.94Å
396	T	81.6	Confident	85.4	Confident	36 Å²	36	64.4 Å²	64.4	22%	0.221	35%	0.35	C	S	.	.	H	α-helix	trans	-65.5	-44.9	177.4	-57	0	0	0	0	111.8	N392 S393 M394 L399 K400	N392-T396 WeakPolarHBondContact O-CB 3.09Å; N392-T396 PolarHBondContact O-N 3.06Å; N392-T396 PolarHBondContact O-OG1 2.82Å; S393-T396 PolarHBondContact O-N 2.94Å; M394-T396 VanDerWaalsContact C-N 3.34Å; M394-T396 PolarHBondContact O-N 3.47Å; T396-L399 PolarHBondContact O-N 2.75Å; T396-K400 WeakPolarHBondContact O-CG 3.46Å; T396-K400 PolarHBondContact O-N 3.44Å; T396-K400 VanDerWaalsContact O-N 3.13Å
397	L	85.6	Confident	85.2	Confident	92 Å²	92	61.7 Å²	61.7	48%	0.482	33%	0.328	S	S	.	.	H	α-helix	trans	-65.2	-40.5	177	-74.4	170.9	0	0	0	112.2	S393 M394 L399 K400 V401	S393-L397 WeakPolarHBondContact O-CB 3.05Å; S393-L397 WeakPolarHBondContact O-CG 3.42Å; S393-L397 PolarHBondContact O-N 3.4Å; M394-L397 HydrophobicContact CE-CD1 3.93Å; M394-L397 PolarHBondContact O-N 2.81Å; L397-L399 VanDerWaalsContact C-N 3.34Å; L397-L399 PolarHBondContact O-N 2.91Å; L397-K400 PolarHBondContact O-N 2.81Å; L397-V401 WeakPolarHBondContact O-CG2 3.44Å; L397-V401 PolarHBondContact O-N 3.11Å
398	A	85.7	Confident	85	Confident	55 Å²	55	60.7 Å²	60.7	46%	0.455	32%	0.322	S	S	.	.	H	α-helix	trans	-61	-43.2	176.4	0	0	0	0	0	111.6	M394 T395 K400 V401 C402	M394-A398 VanDerWaalsContact O-CB 3.28Å; M394-A398 WeakPolarHBondContact O-CB 3.21Å; M394-A398 PolarHBondContact O-N 3.39Å; T395-A398 PolarHBondContact O-N 3.46Å; A398-K400 PolarHBondContact O-N 3.24Å; A398-V401 PolarHBondContact O-N 3.35Å; A398-C402 PolarHBondContact O-N 3.16Å; A398-C402 PolarHBondContact O-SG 2.84Å
399	L	83.3	Confident	85.1	Confident	20 Å²	20	61.4 Å²	61.4	11%	0.105	33%	0.326	C	S	.	.	H	α-helix	trans	-62.1	-43.3	176.2	-176.6	63	0	0	0	111.8	I315 T395 T396 L397 V401 C402 I403	I315-L399 HydrophobicContact CD1-CD2 3.3Å; I315-L399 HydrophobicContact CG1-CD2 4.19Å; T395-L399 PolarHBondContact O-N 2.94Å; T396-L399 PolarHBondContact O-N 2.75Å; L397-L399 VanDerWaalsContact C-N 3.34Å; L397-L399 PolarHBondContact O-N 2.91Å; L399-V401 VanDerWaalsContact C-N 3.34Å; L399-V401 PolarHBondContact O-N 3.18Å; L399-C402 WeakPolarHBondContact O-CB 3.35Å; L399-C402 PolarHBondContact O-N 3.22Å; L399-C402 VanDerWaalsContact O-N 3.16Å; L399-I403 HydrophobicContact CD1-CD1 4.21Å; L399-I403 HydrophobicContact CD1-CG1 4.3Å; L399-I403 HydrophobicContact CD2-CD1 4.36Å; L399-I403 HydrophobicContact CG-CD1 3.85Å; L399-I403 HydrophobicContact CG-CG1 4.35Å; L399-I403 WeakPolarHBondContact O-CG1 3.21Å; L399-I403 PolarHBondContact O-N 3.49Å
400	K	83.6	Confident	85	Confident	70 Å²	70	59.1 Å²	59.1	30%	0.304	31%	0.311	S	S	.	.	H	α-helix	trans	-58.1	-45.1	176.3	-72.9	175.2	178.6	179.7	0	112.2	T396 L397 A398 C402 I403 L404 L429	T396-K400 WeakPolarHBondContact O-CG 3.46Å; T396-K400 PolarHBondContact O-N 3.44Å; T396-K400 VanDerWaalsContact O-N 3.13Å; L397-K400 PolarHBondContact O-N 2.81Å; A398-K400 PolarHBondContact O-N 3.24Å; K400-C402 VanDerWaalsContact C-N 3.35Å; K400-I403 PolarHBondContact O-N 3.4Å; K400-L404 WeakPolarHBondContact O-CB 3.18Å; K400-L404 PolarHBondContact O-N 3.01Å; K400-L429 VanDerWaalsContact NZ-CD1 3.29Å
401	V	87.3	Confident	84.9	Confident	101 Å²	101	52.9 Å²	52.9	61%	0.612	29%	0.292	S	S	*	.	H	α-helix	trans	-62.7	-42.6	176.5	174.3	0	0	0	0	110.9	L397 A398 L399 L404 Y405	L397-V401 WeakPolarHBondContact O-CG2 3.44Å; L397-V401 PolarHBondContact O-N 3.11Å; A398-V401 PolarHBondContact O-N 3.35Å; L399-V401 VanDerWaalsContact C-N 3.34Å; L399-V401 PolarHBondContact O-N 3.18Å; V401-L404 PolarHBondContact O-N 3.43Å; V401-Y405 WeakPolarHBondContact O-CB 3.24Å; V401-Y405 PolarHBondContact O-N 3.33Å
402	C	85.1	Confident	84.9	Confident	68 Å²	68	58.1 Å²	58.1	46%	0.459	32%	0.323	S	S	.	.	H	α-helix	trans	-61.5	-43.8	175.9	-70.8	0	0	0	0	112.4	A398 L399 K400 Y405 Y406	A398-C402 PolarHBondContact O-N 3.16Å; A398-C402 PolarHBondContact O-SG 2.84Å; L399-C402 WeakPolarHBondContact O-CB 3.35Å; L399-C402 PolarHBondContact O-N 3.22Å; L399-C402 VanDerWaalsContact O-N 3.16Å; K400-C402 VanDerWaalsContact C-N 3.35Å; C402-Y405 PolarHBondContact O-N 3.4Å; C402-Y406 WeakPolarHBondContact O-CB 3.34Å; C402-Y406 PolarHBondContact O-N 3.4Å
403	I	85.3	Confident	85	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-64.6	-43	177.3	-69.5	171.2	0	0	0	110.5	M304 L307 T308 L399 K400 G407 F424 E428	M304-I403 HydrophobicContact CE-CG2 3.94Å; L307-I403 HydrophobicContact CD2-CG1 4.26Å; T308-I403 WeakPolarHBondContact OG1-CD1 3.36Å; L399-I403 HydrophobicContact CD1-CD1 4.21Å; L399-I403 HydrophobicContact CD1-CG1 4.3Å; L399-I403 HydrophobicContact CD2-CD1 4.36Å; L399-I403 HydrophobicContact CG-CD1 3.85Å; L399-I403 HydrophobicContact CG-CG1 4.35Å; L399-I403 WeakPolarHBondContact O-CG1 3.21Å; L399-I403 PolarHBondContact O-N 3.49Å; K400-I403 PolarHBondContact O-N 3.4Å; I403-G407 WeakPolarHBondContact O-CA 3.38Å; I403-G407 PolarHBondContact O-N 2.63Å; I403-F424 HydrophobicContact CG2-CD1 4.01Å; I403-F424 HydrophobicContact CG2-CE1 3.89Å; I403-E428 HydrophobicContact CD1-CG 3.69Å; I403-E428 WeakPolarHBondContact CD1-OE1 3.43Å
404	L	86.3	Confident	84.7	Confident	102 Å²	102	63.2 Å²	63.2	53%	0.534	35%	0.352	S	S	.	.	H	α-helix	trans	-66.7	-40.8	178.7	-173.1	63.3	0	0	0	112	K400 V401 G408 L421	K400-L404 WeakPolarHBondContact O-CB 3.18Å; K400-L404 PolarHBondContact O-N 3.01Å; V401-L404 PolarHBondContact O-N 3.43Å; L404-G408 WeakPolarHBondContact O-CA 3.23Å; L404-G408 PolarHBondContact O-N 2.95Å; L404-L421 HydrophobicContact CD1-CD2 4.37Å
405	Y	87	Confident	84.4	Confident	179 Å²	179	62.1 Å²	62.1	70%	0.702	36%	0.356	S	S	*	.	H	α-helix	trans	-63.4	-49.1	176.4	176.8	-99.7	0	0	0	111.8	V401 C402 T409	V401-Y405 WeakPolarHBondContact O-CB 3.24Å; V401-Y405 PolarHBondContact O-N 3.33Å; C402-Y405 PolarHBondContact O-N 3.4Å; Y405-T409 PolarHBondContact O-N 2.97Å; Y405-T409 VanDerWaalsContact O-N 3.08Å; Y405-T409 PolarHBondContact O-OG1 3.39Å
406	Y	85.6	Confident	84.4	Confident	60 Å²	60	62 Å²	62	24%	0.235	36%	0.356	C	S	.	.	H	α-helix	trans	-68.1	-46.2	179.1	-176.1	-106.9	0	0	0	111.7	K303 M304 L307 C402 G408 T409 L410	K303-Y406 HydrophobicContact CB-CE1 4.29Å; M304-Y406 HydrophobicContact CG-CD1 4.28Å; M304-Y406 HydrophobicContact CG-CE1 4.42Å; L307-Y406 HydrophobicContact CD2-CD1 3.81Å; L307-Y406 HydrophobicContact CD2-CG 3.89Å; C402-Y406 WeakPolarHBondContact O-CB 3.34Å; C402-Y406 PolarHBondContact O-N 3.4Å; Y406-G408 PolarHBondContact O-N 3.05Å; Y406-T409 WeakPolarHBondContact O-CB 3.23Å; Y406-T409 PolarHBondContact O-N 3.47Å; Y406-T409 VanDerWaalsContact O-N 3.15Å; Y406-L410 HydrophobicContact CD1-CD1 3.95Å; Y406-L410 HydrophobicContact CD2-CD1 4.19Å; Y406-L410 HydrophobicContact CE1-CD1 3.54Å; Y406-L410 HydrophobicContact CE1-CD2 4.02Å; Y406-L410 HydrophobicContact CE1-CG 4.46Å; Y406-L410 HydrophobicContact CE2-CD1 3.81Å; Y406-L410 HydrophobicContact CG-CD1 4.26Å; Y406-L410 VanDerWaalsContact CZ-CD1 3.47Å; Y406-L410 WeakPolarHBondContact O-CD1 3.43Å; Y406-L410 PolarHBondContact O-N 3.44Å
407	G	86	Confident	84.6	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-59.2	-45.9	176.3	0	0	0	0	0	112.3	I403 T409 L410 V411	I403-G407 WeakPolarHBondContact O-CA 3.38Å; I403-G407 PolarHBondContact O-N 2.63Å; G407-T409 VanDerWaalsContact C-N 3.29Å; G407-T409 PolarHBondContact O-N 3.33Å; G407-L410 WeakPolarHBondContact O-CA 3.46Å; G407-L410 WeakPolarHBondContact O-CB 3.46Å; G407-L410 PolarHBondContact O-N 3.44Å; G407-V411 WeakPolarHBondContact O-CG2 3.5Å; G407-V411 PolarHBondContact O-N 3Å
408	G	85	Confident	84.5	Confident	25 Å²	25	59.5 Å²	59.5	26%	0.258	35%	0.347	S	S	.	.	H	α-helix	trans	-59.6	-38.1	174	0	0	0	0	0	112.7	L404 Y406 L410 V411 T412	L404-G408 WeakPolarHBondContact O-CA 3.23Å; L404-G408 PolarHBondContact O-N 2.95Å; Y406-G408 PolarHBondContact O-N 3.05Å; G408-L410 VanDerWaalsContact C-N 3.32Å; G408-L410 PolarHBondContact O-N 2.86Å; G408-V411 PolarHBondContact O-N 3.27Å; G408-T412 WeakPolarHBondContact O-CG2 3.25Å; G408-T412 PolarHBondContact O-N 3.32Å; G408-T412 PolarHBondContact O-OG1 3.4Å
409	T	85.9	Confident	84.5	Confident	34 Å²	34	56.9 Å²	56.9	21%	0.209	33%	0.325	C	S	.	.	H	α-helix	trans	-67.1	-31.7	173.7	-53.6	0	0	0	0	112.6	Y405 Y406 G407 T412 R413	Y405-T409 PolarHBondContact O-N 2.97Å; Y405-T409 VanDerWaalsContact O-N 3.08Å; Y405-T409 PolarHBondContact O-OG1 3.39Å; Y406-T409 WeakPolarHBondContact O-CB 3.23Å; Y406-T409 PolarHBondContact O-N 3.47Å; Y406-T409 VanDerWaalsContact O-N 3.15Å; G407-T409 VanDerWaalsContact C-N 3.29Å; G407-T409 PolarHBondContact O-N 3.33Å; T409-T412 WeakPolarHBondContact CA-OG1 3.41Å; T409-T412 PolarHBondContact O-OG1 3.19Å; T409-T412 VanDerWaalsContact O-OG1 3.06Å; T409-R413 WeakPolarHBondContact O-CD 3.04Å; T409-R413 VanDerWaalsContact O-CG 3.25Å; T409-R413 WeakPolarHBondContact O-CG 3.42Å; T409-R413 PolarHBondContact O-N 3.43Å
410	L	83.7	Confident	84.7	Confident	8 Å²	8	58.4 Å²	58.4	4%	0.042	33%	0.334	C	S	.	.	H	α-helix	trans	-70.9	-37.4	173.4	-96.1	65.8	0	0	0	111.6	K303 M304 Y406 G407 G408 R413 G414 A415 V416	K303-L410 HydrophobicContact CB-CD2 4.29Å; K303-L410 HydrophobicContact CD-CD2 4.29Å; M304-L410 HydrophobicContact CG-CD2 4.17Å; Y406-L410 HydrophobicContact CD1-CD1 3.95Å; Y406-L410 HydrophobicContact CD2-CD1 4.19Å; Y406-L410 HydrophobicContact CE1-CD1 3.54Å; Y406-L410 HydrophobicContact CE1-CD2 4.02Å; Y406-L410 HydrophobicContact CE1-CG 4.46Å; Y406-L410 HydrophobicContact CE2-CD1 3.81Å; Y406-L410 HydrophobicContact CG-CD1 4.26Å; Y406-L410 VanDerWaalsContact CZ-CD1 3.47Å; Y406-L410 WeakPolarHBondContact O-CD1 3.43Å; Y406-L410 PolarHBondContact O-N 3.44Å; G407-L410 WeakPolarHBondContact O-CA 3.46Å; G407-L410 WeakPolarHBondContact O-CB 3.46Å; G407-L410 PolarHBondContact O-N 3.44Å; G408-L410 VanDerWaalsContact C-N 3.32Å; G408-L410 PolarHBondContact O-N 2.86Å; L410-R413 PolarHBondContact O-N 3.18Å; L410-G414 PolarHBondContact O-N 3.3Å; L410-A415 HydrophobicContact CG-CB 4.41Å; L410-A415 PolarHBondContact O-N 2.96Å; L410-V416 HydrophobicContact CB-CB 4.37Å; L410-V416 HydrophobicContact CB-CG2 4.06Å; L410-V416 HydrophobicContact CD2-CG2 3.87Å; L410-V416 HydrophobicContact CG-CG2 4.46Å
411	V	86.9	Confident	84.9	Confident	41 Å²	41	56 Å²	56	25%	0.248	32%	0.324	C	S	.	.	H	α-helix	trans	-66	-46.2	175.6	175.7	0	0	0	0	111.2	G407 G408 R413 G414 V416 L421	G407-V411 WeakPolarHBondContact O-CG2 3.5Å; G407-V411 PolarHBondContact O-N 3Å; G408-V411 PolarHBondContact O-N 3.27Å; V411-R413 PolarHBondContact O-N 3.36Å; V411-R413 VanDerWaalsContact O-N 3.17Å; V411-G414 PolarHBondContact O-N 2.93Å; V411-V416 WeakPolarHBondContact CA-O 3.42Å; V411-V416 HydrophobicContact CG2-CB 4.49Å; V411-L421 HydrophobicContact CG2-CB 3.94Å; V411-L421 HydrophobicContact CG2-CD2 3.8Å; V411-L421 HydrophobicContact CG2-CG 4.48Å
412	T	84.3	Confident	85	Confident	119 Å²	119	54 Å²	54	73%	0.73	31%	0.312	S	S	*	.	H	α-helix	trans	-64.2	-22.3	178.2	56.1	0	0	0	0	113.5	G408 T409	G408-T412 WeakPolarHBondContact O-CG2 3.25Å; G408-T412 PolarHBondContact O-N 3.32Å; G408-T412 PolarHBondContact O-OG1 3.4Å; T409-T412 WeakPolarHBondContact CA-OG1 3.41Å; T409-T412 PolarHBondContact O-OG1 3.19Å; T409-T412 VanDerWaalsContact O-OG1 3.06Å
413	R	83.9	Confident	85.3	Confident	142 Å²	142	50.8 Å²	50.8	54%	0.536	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	1.8	174.7	-67.2	175.3	-176.9	-179.2	2.9	113.7	T409 L410 V411 A415	T409-R413 WeakPolarHBondContact O-CD 3.04Å; T409-R413 VanDerWaalsContact O-CG 3.25Å; T409-R413 WeakPolarHBondContact O-CG 3.42Å; T409-R413 PolarHBondContact O-N 3.43Å; L410-R413 PolarHBondContact O-N 3.18Å; V411-R413 PolarHBondContact O-N 3.36Å; V411-R413 VanDerWaalsContact O-N 3.17Å; R413-A415 VanDerWaalsContact C-N 3.26Å; R413-A415 PolarHBondContact O-N 3.03Å
414	G	79.1	Confident	85.6	Confident	68 Å²	68	50.7 Å²	50.7	70%	0.701	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	16.8	179.8	0	0	0	0	0	114.7	L410 V411	L410-G414 PolarHBondContact O-N 3.3Å; V411-G414 PolarHBondContact O-N 2.93Å
415	A	77.8	Confident	85.7	Confident	64 Å²	64	48.3 Å²	48.3	53%	0.529	28%	0.28	S	S	.	.	S	Bend	trans	-84.9	-20.3	-178.4	0	0	0	0	0	113.5	L410 R413	L410-A415 HydrophobicContact CG-CB 4.41Å; L410-A415 PolarHBondContact O-N 2.96Å; R413-A415 VanDerWaalsContact C-N 3.26Å; R413-A415 PolarHBondContact O-N 3.03Å
416	V	83.6	Confident	85.9	Confident	17 Å²	17	42.5 Å²	42.5	10%	0.103	26%	0.26	C	S	.	.	S	Bend	trans	-146.2	144.5	-178.1	180	0	0	0	0	107.6	L410 V411 D420	L410-V416 HydrophobicContact CB-CB 4.37Å; L410-V416 HydrophobicContact CB-CG2 4.06Å; L410-V416 HydrophobicContact CD2-CG2 3.87Å; L410-V416 HydrophobicContact CG-CG2 4.46Å; V411-V416 WeakPolarHBondContact CA-O 3.42Å; V411-V416 HydrophobicContact CG2-CB 4.49Å; V416-D420 HydrophobicContact CG1-CB 3.46Å; V416-D420 VanDerWaalsContact CG1-CB 3.46Å
417	S	85.7	Confident	86.2	Confident	37 Å²	37	39.7 Å²	39.7	26%	0.259	25%	0.249	S	C	.	.			trans	-76.9	164.1	175.6	82.2	0	0	0	0	112.4	D190 G419 D420 L421	D190-S417 PolarHBondContact OD1-OG 3.29Å; D190-S417 WeakPolarHBondContact OD2-CB 3.37Å; D190-S417 PolarHBondContact OD2-OG 3.29Å; S417-G419 VanDerWaalsContact C-N 3.27Å; S417-G419 PolarHBondContact O-N 3.31Å; S417-G419 PolarHBondContact OG-N 2.69Å; S417-D420 PolarHBondContact O-N 3.46Å; S417-D420 WeakPolarHBondContact OG-CB 3.45Å; S417-D420 PolarHBondContact OG-N 3.3Å; S417-D420 PolarHBondContact OG-OD2 3.22Å; S417-L421 PolarHBondContact O-N 3.44Å; S417-L421 VanDerWaalsContact O-N 3.13Å
418	S	84.5	Confident	86.3	Confident	37 Å²	37	39.9 Å²	39.9	26%	0.259	25%	0.25	S	S	.	.	H	α-helix	trans	-58.2	-39.4	170.6	31.2	0	0	0	0	112.5	D190 I193 L421 V422	D190-S418 PolarHBondContact OD1-N 3.44Å; D190-S418 PolarHBondContact OD1-OG 3.03Å; I193-S418 WeakPolarHBondContact CD1-OG 3.5Å; S418-L421 WeakPolarHBondContact O-CB 3.5Å; S418-L421 PolarHBondContact O-N 2.93Å; S418-V422 WeakPolarHBondContact O-CG2 3.03Å; S418-V422 PolarHBondContact O-N 2.88Å
419	G	85.6	Confident	86.3	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-71.5	-37.3	179	0	0	0	0	0	113.3	G186 D190 S417 L421 V422 S423	G186-G419 WeakPolarHBondContact CA-O 3.42Å; G186-G419 WeakPolarHBondContact O-CA 3.47Å; D190-G419 VanDerWaalsContact CG-N 3.28Å; D190-G419 WeakPolarHBondContact OD1-CA 3.49Å; D190-G419 PolarHBondContact OD1-N 3.32Å; D190-G419 WeakPolarHBondContact OD2-CA 3.24Å; D190-G419 PolarHBondContact OD2-N 3.11Å; S417-G419 VanDerWaalsContact C-N 3.27Å; S417-G419 PolarHBondContact O-N 3.31Å; S417-G419 PolarHBondContact OG-N 2.69Å; G419-L421 VanDerWaalsContact C-N 3.3Å; G419-L421 PolarHBondContact O-N 3.27Å; G419-V422 PolarHBondContact O-N 3.2Å; G419-S423 WeakPolarHBondContact O-CB 3.28Å; G419-S423 PolarHBondContact O-N 2.91Å; G419-S423 PolarHBondContact O-OG 3.48Å
420	D	86.6	Confident	86.5	Confident	53 Å²	53	43.6 Å²	43.6	28%	0.283	26%	0.261	S	S	.	.	H	α-helix	trans	-64.9	-37.7	173.5	-68.9	-18.5	0	0	0	110.6	Q300 V416 S417 S423 F424	Q300-D420 PolarHBondContact OE1-OD1 3.48Å; Q300-D420 VanDerWaalsContact OE1-OD1 3.14Å; V416-D420 HydrophobicContact CG1-CB 3.46Å; V416-D420 VanDerWaalsContact CG1-CB 3.46Å; S417-D420 PolarHBondContact O-N 3.46Å; S417-D420 WeakPolarHBondContact OG-CB 3.45Å; S417-D420 PolarHBondContact OG-N 3.3Å; S417-D420 PolarHBondContact OG-OD2 3.22Å; D420-S423 PolarHBondContact O-N 3.47Å; D420-F424 VanDerWaalsContact O-CB 3.24Å; D420-F424 WeakPolarHBondContact O-CB 3.47Å; D420-F424 PolarHBondContact O-N 2.99Å
421	L	88.2	Confident	86.7	Confident	20 Å²	20	43.4 Å²	43.4	11%	0.105	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-44.9	172.3	177.6	59	0	0	0	111.9	M304 L404 V411 S417 S418 G419 F424 V425	M304-L421 HydrophobicContact CE-CD1 3.45Å; M304-L421 VanDerWaalsContact CE-CD1 3.45Å; M304-L421 HydrophobicContact SD-CD1 4.44Å; L404-L421 HydrophobicContact CD1-CD2 4.37Å; V411-L421 HydrophobicContact CG2-CB 3.94Å; V411-L421 HydrophobicContact CG2-CD2 3.8Å; V411-L421 HydrophobicContact CG2-CG 4.48Å; S417-L421 PolarHBondContact O-N 3.44Å; S417-L421 VanDerWaalsContact O-N 3.13Å; S418-L421 WeakPolarHBondContact O-CB 3.5Å; S418-L421 PolarHBondContact O-N 2.93Å; G419-L421 VanDerWaalsContact C-N 3.3Å; G419-L421 PolarHBondContact O-N 3.27Å; L421-F424 PolarHBondContact O-N 3.33Å; L421-V425 HydrophobicContact CD1-CG2 4.34Å; L421-V425 WeakPolarHBondContact O-CG2 3.4Å; L421-V425 PolarHBondContact O-N 3.14Å
422	V	90	Very high	86.5	Confident	57 Å²	57	43 Å²	43	35%	0.345	26%	0.261	S	S	.	.	H	α-helix	trans	-60.9	-47.6	175.3	170.7	0	0	0	0	110.9	T185 A189 S418 G419 F424 V425 L426	T185-V422 HydrophobicContact CG2-CG1 4.37Å; A189-V422 HydrophobicContact CB-CB 4.48Å; A189-V422 HydrophobicContact CB-CG2 4.2Å; S418-V422 WeakPolarHBondContact O-CG2 3.03Å; S418-V422 PolarHBondContact O-N 2.88Å; G419-V422 PolarHBondContact O-N 3.2Å; V422-F424 VanDerWaalsContact C-N 3.31Å; V422-F424 PolarHBondContact O-N 3.37Å; V422-V425 PolarHBondContact O-N 3.43Å; V422-L426 HydrophobicContact CG1-CD1 4.22Å; V422-L426 WeakPolarHBondContact O-CG 3.47Å; V422-L426 PolarHBondContact O-N 2.93Å; V422-L426 VanDerWaalsContact O-N 3.11Å
423	S	90.6	Very high	86.6	Confident	1 Å²	1	40 Å²	40	1%	0.007	24%	0.244	C	C	.	.	H	α-helix	trans	-57.6	-45.4	176.2	-57.1	0	0	0	0	111.2	P182 G186 G419 D420 L426 Y427	P182-S423 PolarHBondContact O-OG 3.37Å; P182-S423 VanDerWaalsContact O-OG 3.11Å; G186-S423 VanDerWaalsContact CA-OG 3.26Å; G186-S423 WeakPolarHBondContact CA-OG 3.29Å; G419-S423 WeakPolarHBondContact O-CB 3.28Å; G419-S423 PolarHBondContact O-N 2.91Å; G419-S423 PolarHBondContact O-OG 3.48Å; D420-S423 PolarHBondContact O-N 3.47Å; S423-L426 PolarHBondContact O-N 2.96Å; S423-Y427 WeakPolarHBondContact O-CD2 3.45Å; S423-Y427 PolarHBondContact O-N 2.93Å
424	F	91.1	Very high	86.8	Confident	1 Å²	1	33.2 Å²	33.2	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-62.7	-44.3	-178.7	-171.1	-80.8	0	0	0	111.9	M297 Q300 M304 I403 D420 L421 V422 L426 Y427 E428	M297-F424 HydrophobicContact CB-CE2 4.14Å; M297-F424 HydrophobicContact CE-CE1 3.98Å; M297-F424 HydrophobicContact CE-CE2 3.99Å; M297-F424 HydrophobicContact CE-CZ 3.51Å; M297-F424 HydrophobicContact CG-CE2 4.43Å; Q300-F424 HydrophobicContact CB-CD2 4.43Å; M304-F424 HydrophobicContact CB-CD1 4.23Å; M304-F424 HydrophobicContact CB-CD2 3.98Å; M304-F424 HydrophobicContact CB-CE1 3.75Å; M304-F424 HydrophobicContact CB-CE2 3.46Å; M304-F424 VanDerWaalsContact CB-CE2 3.46Å; M304-F424 HydrophobicContact CB-CG 4.34Å; M304-F424 HydrophobicContact CB-CZ 3.35Å; M304-F424 HydrophobicContact CE-CB 4.02Å; M304-F424 HydrophobicContact CE-CD1 3.32Å; M304-F424 HydrophobicContact CE-CD2 4.29Å; M304-F424 HydrophobicContact CE-CE1 3.84Å; M304-F424 HydrophobicContact CE-CG 3.6Å; M304-F424 HydrophobicContact SD-CD1 4.4Å; M304-F424 HydrophobicContact SD-CD2 4.38Å; M304-F424 HydrophobicContact SD-CG 4.19Å; I403-F424 HydrophobicContact CG2-CD1 4.01Å; I403-F424 HydrophobicContact CG2-CE1 3.89Å; D420-F424 VanDerWaalsContact O-CB 3.24Å; D420-F424 WeakPolarHBondContact O-CB 3.47Å; D420-F424 PolarHBondContact O-N 2.99Å; L421-F424 PolarHBondContact O-N 3.33Å; V422-F424 VanDerWaalsContact C-N 3.31Å; V422-F424 PolarHBondContact O-N 3.37Å; F424-L426 VanDerWaalsContact C-N 3.32Å; F424-L426 PolarHBondContact O-N 3.47Å; F424-Y427 PolarHBondContact O-N 3.22Å; F424-E428 HydrophobicContact CE1-CB 4.39Å; F424-E428 WeakPolarHBondContact O-CB 3.46Å; F424-E428 PolarHBondContact O-N 2.89Å
425	V	89.1	Confident	87.1	Confident	52 Å²	52	31.5 Å²	31.5	32%	0.315	20%	0.195	S	C	.	.	H	α-helix	trans	-63	-40.3	177.4	171.5	0	0	0	0	111.2	L421 V422 E428 L429	L421-V425 HydrophobicContact CD1-CG2 4.34Å; L421-V425 WeakPolarHBondContact O-CG2 3.4Å; L421-V425 PolarHBondContact O-N 3.14Å; V422-V425 PolarHBondContact O-N 3.43Å; V425-E428 PolarHBondContact O-N 3.24Å; V425-L429 PolarHBondContact O-N 2.79Å
426	L	90.6	Very high	87.3	Confident	57 Å²	57	34.3 Å²	34.3	30%	0.298	20%	0.197	S	C	.	.	H	α-helix	trans	-66.4	-41.1	176	-70	175.4	0	0	0	112.2	P182 T185 V422 S423 F424 Q430	P182-L426 HydrophobicContact CB-CB 3.78Å; P182-L426 HydrophobicContact CB-CD1 4.33Å; P182-L426 HydrophobicContact CG-CB 4.22Å; T185-L426 HydrophobicContact CG2-CD1 3.68Å; V422-L426 HydrophobicContact CG1-CD1 4.22Å; V422-L426 WeakPolarHBondContact O-CG 3.47Å; V422-L426 PolarHBondContact O-N 2.93Å; V422-L426 VanDerWaalsContact O-N 3.11Å; S423-L426 PolarHBondContact O-N 2.96Å; F424-L426 VanDerWaalsContact C-N 3.32Å; F424-L426 PolarHBondContact O-N 3.47Å; L426-Q430 PolarHBondContact O-N 3.38Å
427	Y	91.6	Very high	87.5	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.1	-40.5	173.5	-74.1	-49.8	0	0	0	112.3	M179 P182 Q183 L293 F296 M297 Q300 S423 F424 L429 Q430 F431	M179-Y427 HydrophobicContact CB-CE1 4.42Å; M179-Y427 VanDerWaalsContact O-CE1 3.27Å; M179-Y427 WeakPolarHBondContact O-CE1 3.44Å; M179-Y427 PolarHBondContact O-OH 3.45Å; M179-Y427 HydrophobicContact SD-CE1 4.39Å; P182-Y427 HydrophobicContact CB-CD1 3.75Å; P182-Y427 HydrophobicContact CB-CD2 4.2Å; P182-Y427 HydrophobicContact CB-CE1 3.53Å; P182-Y427 HydrophobicContact CB-CE2 3.99Å; P182-Y427 HydrophobicContact CB-CG 4.08Å; P182-Y427 HydrophobicContact CG-CD1 3.72Å; P182-Y427 HydrophobicContact CG-CE1 3.54Å; P182-Y427 HydrophobicContact CG-CG 4.47Å; Q183-Y427 VanDerWaalsContact CB-OH 3.31Å; Q183-Y427 WeakPolarHBondContact CB-OH 3.41Å; Q183-Y427 PolarHBondContact N-OH 3.45Å; L293-Y427 HydrophobicContact CD2-CD1 3.76Å; F296-Y427 HydrophobicContact CB-CD1 4.47Å; F296-Y427 HydrophobicContact CB-CD2 4.38Å; F296-Y427 HydrophobicContact CB-CE1 4.06Å; F296-Y427 HydrophobicContact CB-CE2 3.97Å; F296-Y427 HydrophobicContact CG-CE1 4.35Å; M297-Y427 HydrophobicContact CG-CG 4.47Å; Q300-Y427 HydrophobicContact CG-CE2 4.47Å; S423-Y427 WeakPolarHBondContact O-CD2 3.45Å; S423-Y427 PolarHBondContact O-N 2.93Å; F424-Y427 PolarHBondContact O-N 3.22Å; Y427-L429 PolarHBondContact O-N 3.41Å; Y427-Q430 PolarHBondContact O-N 3.46Å; Y427-F431 VanDerWaalsContact O-CB 3.27Å; Y427-F431 WeakPolarHBondContact O-CB 3.38Å; Y427-F431 PolarHBondContact O-N 3.08Å
428	E	88.2	Confident	87.6	Confident	5 Å²	5	33.9 Å²	33.9	2%	0.023	19%	0.194	C	C	.	.	H	α-helix	trans	-62.6	-41.1	178.2	-178.3	-104.8	178.2	0	0	112.1	M297 T308 I403 F424 V425 Q430 F431 A432	M297-E428 HydrophobicContact CE-CB 4.06Å; M297-E428 HydrophobicContact CE-CG 4.46Å; T308-E428 HydrophobicContact CG2-CG 4.17Å; I403-E428 HydrophobicContact CD1-CG 3.69Å; I403-E428 WeakPolarHBondContact CD1-OE1 3.43Å; F424-E428 HydrophobicContact CE1-CB 4.39Å; F424-E428 WeakPolarHBondContact O-CB 3.46Å; F424-E428 PolarHBondContact O-N 2.89Å; V425-E428 PolarHBondContact O-N 3.24Å; E428-Q430 PolarHBondContact O-N 3.32Å; E428-F431 PolarHBondContact O-N 3.4Å; E428-A432 PolarHBondContact O-N 2.86Å
429	L	85.4	Confident	87.4	Confident	87 Å²	87	37.5 Å²	37.5	46%	0.455	21%	0.208	S	C	.	.	H	α-helix	trans	-59.7	-46.4	175.3	-175.5	67.9	0	0	0	111.8	K400 V425 Y427 S433	K400-L429 VanDerWaalsContact NZ-CD1 3.29Å; V425-L429 PolarHBondContact O-N 2.79Å; Y427-L429 PolarHBondContact O-N 3.41Å; L429-S433 PolarHBondContact O-N 2.99Å
430	Q	89.7	Confident	87.3	Confident	49 Å²	49	44.8 Å²	44.8	23%	0.229	24%	0.235	C	C	.	.	H	α-helix	trans	-67.6	-38.4	177.6	-67.4	-174.6	37.6	0	0	111.4	L293 L426 Y427 E428 S433 A434	L293-Q430 HydrophobicContact CD1-CB 3.96Å; L293-Q430 HydrophobicContact CD2-CB 3.73Å; L426-Q430 PolarHBondContact O-N 3.38Å; Y427-Q430 PolarHBondContact O-N 3.46Å; E428-Q430 PolarHBondContact O-N 3.32Å; Q430-S433 PolarHBondContact O-N 2.79Å; Q430-S433 PolarHBondContact O-OG 3.1Å; Q430-A434 WeakPolarHBondContact O-CB 3.21Å; Q430-A434 PolarHBondContact O-N 3.12Å
431	F	88.7	Confident	87.3	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.018	23%	0.228	C	C	.	.	H	α-helix	trans	-62.6	-45.3	177.8	-179.3	-100.2	0	0	0	112.1	F290 L293 L294 M297 T308 L312 Y427 E428 S433 A434 V435	F290-F431 HydrophobicContact CD2-CD2 4.08Å; F290-F431 AromaticContact CD2-CE2 3.48Å; F290-F431 HydrophobicContact CD2-CE2 3.48Å; F290-F431 VanDerWaalsContact CD2-CE2 3.48Å; F290-F431 HydrophobicContact CD2-CZ 4.12Å; F290-F431 HydrophobicContact CE2-CD2 4.24Å; F290-F431 AromaticContact CE2-CE2 3.23Å; F290-F431 HydrophobicContact CE2-CE2 3.23Å; F290-F431 AromaticContact CE2-CZ 3.46Å; F290-F431 HydrophobicContact CE2-CZ 3.46Å; F290-F431 VanDerWaalsContact CE2-CZ 3.46Å; F290-F431 HydrophobicContact CG-CE2 4.47Å; F290-F431 HydrophobicContact CZ-CE2 4.06Å; F290-F431 HydrophobicContact CZ-CZ 4.24Å; L293-F431 HydrophobicContact CB-CB 4.33Å; L293-F431 HydrophobicContact CB-CD2 3.99Å; L293-F431 HydrophobicContact CD1-CB 4.45Å; L294-F431 HydrophobicContact CB-CE2 4.28Å; L294-F431 HydrophobicContact CD1-CE2 4.23Å; L294-F431 HydrophobicContact CD1-CZ 4.41Å; M297-F431 HydrophobicContact SD-CB 3.75Å; M297-F431 HydrophobicContact SD-CD1 4.35Å; M297-F431 HydrophobicContact SD-CD2 4.16Å; M297-F431 HydrophobicContact SD-CG 3.84Å; T308-F431 HydrophobicContact CG2-CD1 4.38Å; T308-F431 HydrophobicContact CG2-CE1 4.44Å; L312-F431 HydrophobicContact CD1-CE1 4.1Å; L312-F431 HydrophobicContact CD1-CZ 4.33Å; L312-F431 HydrophobicContact CD2-CE1 4.07Å; Y427-F431 VanDerWaalsContact O-CB 3.27Å; Y427-F431 WeakPolarHBondContact O-CB 3.38Å; Y427-F431 PolarHBondContact O-N 3.08Å; E428-F431 PolarHBondContact O-N 3.4Å; F431-S433 VanDerWaalsContact C-N 3.31Å; F431-S433 PolarHBondContact O-N 3.12Å; F431-A434 PolarHBondContact O-N 3.04Å; F431-V435 HydrophobicContact CD1-CG2 4.29Å; F431-V435 HydrophobicContact CE1-CG2 3.95Å; F431-V435 HydrophobicContact CE2-CG2 4.32Å; F431-V435 HydrophobicContact CZ-CG2 3.96Å; F431-V435 WeakPolarHBondContact O-CG2 3.42Å; F431-V435 PolarHBondContact O-N 2.92Å
432	A	83.4	Confident	87.2	Confident	33 Å²	33	49.3 Å²	49.3	27%	0.273	25%	0.248	S	C	.	.	H	α-helix	trans	-57.4	-45.4	174.7	0	0	0	0	0	111.5	E428 A434 V435 E436	E428-A432 PolarHBondContact O-N 2.86Å; A432-A434 PolarHBondContact O-N 3.17Å; A432-V435 PolarHBondContact O-N 3.36Å; A432-E436 PolarHBondContact O-N 2.8Å
433	S	84.7	Confident	86.8	Confident	55 Å²	55	49.9 Å²	49.9	39%	0.385	25%	0.253	S	S	.	.	H	α-helix	trans	-64.6	-38.4	177.7	74.5	0	0	0	0	113	L429 Q430 F431 E436 A437	L429-S433 PolarHBondContact O-N 2.99Å; Q430-S433 PolarHBondContact O-N 2.79Å; Q430-S433 PolarHBondContact O-OG 3.1Å; F431-S433 VanDerWaalsContact C-N 3.31Å; F431-S433 PolarHBondContact O-N 3.12Å; S433-E436 PolarHBondContact O-N 3.46Å; S433-A437 WeakPolarHBondContact O-CB 3.45Å; S433-A437 PolarHBondContact O-N 3.2Å
434	A	88.9	Confident	86.5	Confident	1 Å²	1	53 Å²	53	1%	0.008	27%	0.267	C	S	.	.	H	α-helix	trans	-68	-41.2	178	0	0	0	0	0	111.8	Y286 F290 L293 Q430 F431 A432 A437 V438	Y286-A434 HydrophobicContact CD1-CB 4.03Å; F290-A434 HydrophobicContact CB-CB 4.42Å; L293-A434 HydrophobicContact CD1-CB 4.06Å; Q430-A434 WeakPolarHBondContact O-CB 3.21Å; Q430-A434 PolarHBondContact O-N 3.12Å; F431-A434 PolarHBondContact O-N 3.04Å; A432-A434 PolarHBondContact O-N 3.17Å; A434-A437 PolarHBondContact O-N 3.12Å; A434-V438 VanDerWaalsContact O-CG2 3.32Å; A434-V438 WeakPolarHBondContact O-CG2 3.42Å; A434-V438 PolarHBondContact O-N 3.35Å
435	V	84.7	Confident	86.3	Confident	32 Å²	32	53.4 Å²	53.4	19%	0.194	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-47.5	174.4	171.7	0	0	0	0	110.8	F290 F431 A432 A437 V438 M439	F290-V435 HydrophobicContact CD2-CG2 3.73Å; F290-V435 HydrophobicContact CE2-CG2 3.62Å; F431-V435 HydrophobicContact CD1-CG2 4.29Å; F431-V435 HydrophobicContact CE1-CG2 3.95Å; F431-V435 HydrophobicContact CE2-CG2 4.32Å; F431-V435 HydrophobicContact CZ-CG2 3.96Å; F431-V435 WeakPolarHBondContact O-CG2 3.42Å; F431-V435 PolarHBondContact O-N 2.92Å; A432-V435 PolarHBondContact O-N 3.36Å; V435-A437 PolarHBondContact O-N 2.77Å; V435-V438 PolarHBondContact O-N 3.23Å; V435-M439 HydrophobicContact CG1-CG 4.44Å; V435-M439 WeakPolarHBondContact O-CB 3.29Å; V435-M439 VanDerWaalsContact O-CG 3.27Å; V435-M439 WeakPolarHBondContact O-CG 3.19Å; V435-M439 PolarHBondContact O-N 3.48Å
436	E	82.4	Confident	86	Confident	123 Å²	123	56.7 Å²	56.7	58%	0.575	28%	0.28	S	S	*	.	H	α-helix	trans	-59	-46.5	177.7	-175	179.4	174.2	0	0	111.5	A432 S433 M439 R440	A432-E436 PolarHBondContact O-N 2.8Å; S433-E436 PolarHBondContact O-N 3.46Å; E436-M439 PolarHBondContact O-N 2.89Å; E436-R440 WeakPolarHBondContact O-CB 3.23Å; E436-R440 PolarHBondContact O-N 3.03Å
437	A	87	Confident	85.6	Confident	10 Å²	10	62 Å²	62	8%	0.083	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-47	178	0	0	0	0	0	112.6	Y286 S433 A434 V435 M439 R440 Y441	Y286-A437 HydrophobicContact CD1-CB 3.7Å; Y286-A437 HydrophobicContact CD2-CB 3.41Å; Y286-A437 VanDerWaalsContact CD2-CB 3.41Å; Y286-A437 HydrophobicContact CE1-CB 3.83Å; Y286-A437 HydrophobicContact CE2-CB 3.58Å; Y286-A437 HydrophobicContact CG-CB 3.47Å; Y286-A437 VanDerWaalsContact CG-CB 3.47Å; S433-A437 WeakPolarHBondContact O-CB 3.45Å; S433-A437 PolarHBondContact O-N 3.2Å; A434-A437 PolarHBondContact O-N 3.12Å; V435-A437 PolarHBondContact O-N 2.77Å; A437-M439 VanDerWaalsContact C-N 3.32Å; A437-M439 PolarHBondContact O-N 3.37Å; A437-R440 PolarHBondContact O-N 2.69Å; A437-Y441 HydrophobicContact CB-CD2 4.07Å; A437-Y441 HydrophobicContact CB-CE2 3.86Å; A437-Y441 WeakPolarHBondContact O-CB 3.42Å; A437-Y441 WeakPolarHBondContact O-CD2 3.31Å; A437-Y441 PolarHBondContact O-N 3.1Å
438	V	87.8	Confident	85.2	Confident	34 Å²	34	62.3 Å²	62.3	21%	0.206	30%	0.304	C	S	.	.	H	α-helix	trans	-59.9	-44.1	176.6	170.6	0	0	0	0	110.8	L283 A434 V435 R440 Y442	L283-V438 HydrophobicContact CD1-CB 4.46Å; L283-V438 HydrophobicContact CD1-CG1 4.09Å; L283-V438 HydrophobicContact CD1-CG2 4.48Å; A434-V438 VanDerWaalsContact O-CG2 3.32Å; A434-V438 WeakPolarHBondContact O-CG2 3.42Å; A434-V438 PolarHBondContact O-N 3.35Å; V435-V438 PolarHBondContact O-N 3.23Å; V438-R440 VanDerWaalsContact C-N 3.29Å; V438-R440 PolarHBondContact O-N 3.46Å; V438-Y442 WeakPolarHBondContact O-CB 3.27Å; V438-Y442 PolarHBondContact O-N 2.98Å
439	M	81.8	Confident	85	Confident	113 Å²	113	63 Å²	63	56%	0.557	31%	0.307	S	S	*	.	H	α-helix	trans	-65.1	-31.7	178.7	-72.2	-63.9	179	0	0	112.9	V435 E436 A437 P443	V435-M439 HydrophobicContact CG1-CG 4.44Å; V435-M439 WeakPolarHBondContact O-CB 3.29Å; V435-M439 VanDerWaalsContact O-CG 3.27Å; V435-M439 WeakPolarHBondContact O-CG 3.19Å; V435-M439 PolarHBondContact O-N 3.48Å; E436-M439 PolarHBondContact O-N 2.89Å; A437-M439 VanDerWaalsContact C-N 3.32Å; A437-M439 PolarHBondContact O-N 3.37Å; M439-P443 WeakPolarHBondContact O-CD 3.32Å; M439-P443 WeakPolarHBondContact O-CG 3.27Å
440	R	82.8	Confident	84.8	Confident	153 Å²	153	60.2 Å²	60.2	58%	0.577	30%	0.3	S	S	*	.	H	α-helix	trans	-75.8	-49.4	176.1	-177.1	178.1	-179.3	175.9	1	112.4	E436 A437 V438 P443 E444	E436-R440 WeakPolarHBondContact O-CB 3.23Å; E436-R440 PolarHBondContact O-N 3.03Å; A437-R440 PolarHBondContact O-N 2.69Å; V438-R440 VanDerWaalsContact C-N 3.29Å; V438-R440 PolarHBondContact O-N 3.46Å; R440-P443 WeakPolarHBondContact O-CD 3.48Å; R440-E444 IonicContact NE-OE1 2.78Å
441	Y	87.4	Confident	84.2	Confident	31 Å²	31	60 Å²	60	12%	0.122	31%	0.307	C	S	.	.	H	α-helix	trans	-81	-28.4	-171.7	-61.4	-50	0	0	0	113.5	K279 L282 Y286 A437 E444 V445	K279-Y441 HydrophobicContact CB-CD1 4.38Å; K279-Y441 HydrophobicContact CD-CD1 3.86Å; K279-Y441 HydrophobicContact CD-CE1 3.98Å; L282-Y441 HydrophobicContact CB-CD2 3.81Å; L282-Y441 HydrophobicContact CB-CE2 3.79Å; L282-Y441 HydrophobicContact CB-CG 4.32Å; L282-Y441 HydrophobicContact CD1-CE1 3.97Å; L282-Y441 HydrophobicContact CD1-CE2 4.02Å; L282-Y441 HydrophobicContact CG-CE2 4.44Å; Y286-Y441 HydrophobicContact CD2-CD2 4.29Å; Y286-Y441 HydrophobicContact CD2-CE2 4.05Å; Y286-Y441 AromaticContact CE2-CE2 3.95Å; Y286-Y441 HydrophobicContact CE2-CE2 3.95Å; A437-Y441 HydrophobicContact CB-CD2 4.07Å; A437-Y441 HydrophobicContact CB-CE2 3.86Å; A437-Y441 WeakPolarHBondContact O-CB 3.42Å; A437-Y441 WeakPolarHBondContact O-CD2 3.31Å; A437-Y441 PolarHBondContact O-N 3.1Å; Y441-E444 PolarHBondContact O-N 3.39Å; Y441-V445 WeakPolarHBondContact O-CG2 3.35Å; Y441-V445 PolarHBondContact O-N 2.84Å
442	Y	85.6	Confident	83.9	Confident	137 Å²	137	59.9 Å²	59.9	54%	0.537	31%	0.306	S	S	.	.	H	α-helix	trans	-60	-48.5	179.5	174.3	-97	0	0	0	113.3	L283 V438 E444 V445 K446	L283-Y442 HydrophobicContact CD2-CD2 4.34Å; V438-Y442 WeakPolarHBondContact O-CB 3.27Å; V438-Y442 PolarHBondContact O-N 2.98Å; Y442-E444 VanDerWaalsContact C-N 3.32Å; Y442-E444 PolarHBondContact O-N 3.09Å; Y442-V445 PolarHBondContact O-N 3.14Å; Y442-K446 WeakPolarHBondContact O-CB 3.48Å; Y442-K446 PolarHBondContact O-N 3.42Å
443	P	82.4	Confident	83.8	Confident	70 Å²	70	60.4 Å²	60.4	46%	0.455	30%	0.303	S	S	.	.	H	α-helix	trans	-61.1	-36.7	173	-23.5	34	0	0	0	113.6	M439 R440 K446 K447	M439-P443 WeakPolarHBondContact O-CD 3.32Å; M439-P443 WeakPolarHBondContact O-CG 3.27Å; R440-P443 WeakPolarHBondContact O-CD 3.48Å; P443-K446 PolarHBondContact O-N 3.33Å; P443-K447 WeakPolarHBondContact O-CB 3.49Å; P443-K447 PolarHBondContact O-N 3.44Å
444	E	83	Confident	83.4	Confident	65 Å²	65	62.8 Å²	62.8	30%	0.304	31%	0.306	S	S	.	.	H	α-helix	trans	-64.6	-48.1	178.5	-69.5	179.4	-171.6	0	0	111.5	K279 R440 Y441 Y442 K446 K447 A448	K279-E444 VanDerWaalsContact CD-OE2 3.28Å; K279-E444 WeakPolarHBondContact CD-OE2 3.45Å; K279-E444 VanDerWaalsContact CE-OE2 3.25Å; K279-E444 WeakPolarHBondContact CE-OE2 3.42Å; K279-E444 HydrophobicContact CG-CB 4.42Å; K279-E444 WeakPolarHBondContact CG-OE2 3.49Å; R440-E444 IonicContact NE-OE1 2.78Å; Y441-E444 PolarHBondContact O-N 3.39Å; Y442-E444 VanDerWaalsContact C-N 3.32Å; Y442-E444 PolarHBondContact O-N 3.09Å; E444-K446 VanDerWaalsContact C-N 3.33Å; E444-K446 PolarHBondContact O-N 3.2Å; E444-K447 WeakPolarHBondContact O-CB 3.01Å; E444-K447 PolarHBondContact O-N 3.03Å; E444-A448 PolarHBondContact O-N 3.01Å
445	V	87.1	Confident	83.2	Confident	10 Å²	10	63 Å²	63	6%	0.061	31%	0.307	C	S	.	.	H	α-helix	trans	-61	-42.7	174.7	172.4	0	0	0	0	110.8	K279 L280 L283 Y441 Y442 K447 A448 I449	K279-V445 HydrophobicContact CB-CG2 3.89Å; L280-V445 HydrophobicContact CB-CG2 4.25Å; L280-V445 HydrophobicContact CD1-CG1 4.1Å; L283-V445 HydrophobicContact CD2-CB 4.27Å; L283-V445 HydrophobicContact CD2-CG1 4.46Å; L283-V445 HydrophobicContact CD2-CG2 4.05Å; Y441-V445 WeakPolarHBondContact O-CG2 3.35Å; Y441-V445 PolarHBondContact O-N 2.84Å; Y442-V445 PolarHBondContact O-N 3.14Å; V445-K447 VanDerWaalsContact C-N 3.32Å; V445-K447 PolarHBondContact O-N 3.4Å; V445-A448 WeakPolarHBondContact O-CB 3.15Å; V445-A448 PolarHBondContact O-N 2.94Å; V445-I449 HydrophobicContact CG1-CD1 3.96Å; V445-I449 WeakPolarHBondContact O-CG1 3.36Å; V445-I449 PolarHBondContact O-N 2.99Å
446	K	83.4	Confident	83.1	Confident	122 Å²	122	61.9 Å²	61.9	53%	0.53	30%	0.3	S	S	.	.	H	α-helix	trans	-62.5	-39.8	176.6	-173	179.7	178.5	-176.1	0	112.1	Y442 P443 E444 I449 G450	Y442-K446 WeakPolarHBondContact O-CB 3.48Å; Y442-K446 PolarHBondContact O-N 3.42Å; P443-K446 PolarHBondContact O-N 3.33Å; E444-K446 VanDerWaalsContact C-N 3.33Å; E444-K446 PolarHBondContact O-N 3.2Å; K446-I449 PolarHBondContact O-N 3.04Å; K446-G450 PolarHBondContact O-N 3.34Å
447	K	81.3	Confident	83.2	Confident	169 Å²	169	60.7 Å²	60.7	74%	0.735	29%	0.294	S	S	*	.	H	α-helix	trans	-63.2	-42.4	174.6	-176.7	-174.5	174.2	-168.7	0	110.8	P443 E444 V445 G450 A451	P443-K447 WeakPolarHBondContact O-CB 3.49Å; P443-K447 PolarHBondContact O-N 3.44Å; E444-K447 WeakPolarHBondContact O-CB 3.01Å; E444-K447 PolarHBondContact O-N 3.03Å; V445-K447 VanDerWaalsContact C-N 3.32Å; V445-K447 PolarHBondContact O-N 3.4Å; K447-G450 PolarHBondContact O-N 3.39Å; K447-A451 PolarHBondContact O-N 3.31Å
448	A	83.9	Confident	83	Confident	6 Å²	6	61.4 Å²	61.4	5%	0.05	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-44	176.5	0	0	0	0	0	112.5	A275 E444 V445 G450 A451 S452	A275-A448 HydrophobicContact CB-CB 3.47Å; A275-A448 VanDerWaalsContact CB-CB 3.47Å; E444-A448 PolarHBondContact O-N 3.01Å; V445-A448 WeakPolarHBondContact O-CB 3.15Å; V445-A448 PolarHBondContact O-N 2.94Å; A448-G450 VanDerWaalsContact C-N 3.3Å; A448-G450 PolarHBondContact O-N 2.71Å; A448-A451 PolarHBondContact O-N 3.43Å; A448-S452 PolarHBondContact O-N 3.46Å
449	I	84.5	Confident	82.9	Confident	18 Å²	18	61.4 Å²	61.4	9%	0.092	29%	0.294	C	S	.	.	H	α-helix	trans	-60.5	-41.1	174.1	-66	159.1	0	0	0	110.6	L150 L153 L276 V445 K446 S452	L150-I449 HydrophobicContact CB-CG2 4.27Å; L150-I449 HydrophobicContact CD1-CD1 3.67Å; L150-I449 HydrophobicContact CD1-CG1 4.43Å; L153-I449 HydrophobicContact CD1-CG1 4.13Å; L153-I449 HydrophobicContact CD1-CG2 4.43Å; L276-I449 HydrophobicContact CD1-CG1 4.37Å; V445-I449 HydrophobicContact CG1-CD1 3.96Å; V445-I449 WeakPolarHBondContact O-CG1 3.36Å; V445-I449 PolarHBondContact O-N 2.99Å; K446-I449 PolarHBondContact O-N 3.04Å; I449-S452 PolarHBondContact O-N 3.49Å; I449-S452 PolarHBondContact O-OG 3.01Å
450	G	80.9	Confident	83.2	Confident	30 Å²	30	60 Å²	60	31%	0.309	29%	0.288	S	S	.	.	H	α-helix	trans	-65.4	-39.9	174.2	0	0	0	0	0	113.2	K446 K447 A448 S452 E453	K446-G450 PolarHBondContact O-N 3.34Å; K447-G450 PolarHBondContact O-N 3.39Å; A448-G450 VanDerWaalsContact C-N 3.3Å; A448-G450 PolarHBondContact O-N 2.71Å; G450-S452 VanDerWaalsContact C-N 3.29Å; G450-S452 PolarHBondContact O-N 2.72Å; G450-E453 WeakPolarHBondContact O-CB 3.1Å; G450-E453 PolarHBondContact O-N 3Å
451	A	76.9	Confident	83.4	Confident	45 Å²	45	55.7 Å²	55.7	37%	0.372	27%	0.272	S	S	.	.	H	α-helix	trans	-64.8	-33.9	177.1	0	0	0	0	0	112.4	K447 A448 E453 K454	K447-A451 PolarHBondContact O-N 3.31Å; A448-A451 PolarHBondContact O-N 3.43Å; A451-E453 PolarHBondContact O-N 2.65Å; A451-E453 VanDerWaalsContact O-N 3.12Å; A451-K454 PolarHBondContact O-N 3.06Å
452	S	82.5	Confident	83.4	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.4	-20.6	176.6	78.2	0	0	0	0	114.1	M272 A448 I449 G450 K454 I455 F456	M272-S452 WeakPolarHBondContact SD-CB 3.26Å; A448-S452 PolarHBondContact O-N 3.46Å; I449-S452 PolarHBondContact O-N 3.49Å; I449-S452 PolarHBondContact O-OG 3.01Å; G450-S452 VanDerWaalsContact C-N 3.29Å; G450-S452 PolarHBondContact O-N 2.72Å; S452-K454 VanDerWaalsContact C-N 3.31Å; S452-K454 PolarHBondContact O-N 3.43Å; S452-I455 WeakPolarHBondContact O-CB 3.33Å; S452-I455 PolarHBondContact O-N 2.93Å; S452-I455 VanDerWaalsContact O-N 3.11Å; S452-F456 WeakPolarHBondContact O-CD2 3.42Å; S452-F456 PolarHBondContact O-N 3.11Å; S452-F456 WeakPolarHBondContact OG-CE2 3.01Å
453	E	81.3	Confident	83.4	Confident	44 Å²	44	59 Å²	59	21%	0.206	30%	0.295	C	S	.	.	H	α-helix	trans	-56.2	-45.3	179.7	-169.1	179.8	168.4	0	0	111.8	G143 P144 G450 A451 I455 F456 E457	G143-E453 WeakPolarHBondContact CA-OE1 3.32Å; P144-E453 WeakPolarHBondContact CD-OE1 3.39Å; P144-E453 HydrophobicContact CG-CG 3.93Å; G450-E453 WeakPolarHBondContact O-CB 3.1Å; G450-E453 PolarHBondContact O-N 3Å; A451-E453 PolarHBondContact O-N 2.65Å; A451-E453 VanDerWaalsContact O-N 3.12Å; E453-I455 VanDerWaalsContact C-N 3.3Å; E453-I455 PolarHBondContact O-N 2.9Å; E453-F456 CarbonylContact O-C 3.57Å; E453-F456 PolarHBondContact O-N 3.47Å; E453-F456 VanDerWaalsContact O-N 3.15Å; E453-E457 WeakPolarHBondContact O-CG 3.46Å; E453-E457 PolarHBondContact O-N 3.27Å
454	K	76.8	Confident	83.4	Confident	106 Å²	106	63.2 Å²	63.2	46%	0.461	31%	0.309	S	S	.	.	H	α-helix	trans	-65.4	-33.6	178.8	-64.9	-178	-177.8	176.9	0	112.8	A451 S452 F456 E457 Y458	A451-K454 PolarHBondContact O-N 3.06Å; S452-K454 VanDerWaalsContact C-N 3.31Å; S452-K454 PolarHBondContact O-N 3.43Å; K454-F456 VanDerWaalsContact C-N 3.33Å; K454-E457 WeakPolarHBondContact O-CB 3.47Å; K454-E457 PolarHBondContact O-N 3.35Å; K454-Y458 WeakPolarHBondContact O-CD2 3.5Å; K454-Y458 PolarHBondContact O-N 3.02Å
455	I	83.1	Confident	83.3	Confident	4 Å²	4	61.9 Å²	61.9	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-66.7	-42.6	175.9	-60.7	173.3	0	0	0	109.3	V241 M272 S452 E453 E457 Y458 L459	V241-I455 HydrophobicContact CG1-CG2 4.48Å; V241-I455 HydrophobicContact CG2-CG2 3.32Å; M272-I455 HydrophobicContact CB-CD1 3.89Å; M272-I455 HydrophobicContact CG-CD1 4.24Å; M272-I455 HydrophobicContact SD-CD1 3.74Å; S452-I455 WeakPolarHBondContact O-CB 3.33Å; S452-I455 PolarHBondContact O-N 2.93Å; S452-I455 VanDerWaalsContact O-N 3.11Å; E453-I455 VanDerWaalsContact C-N 3.3Å; E453-I455 PolarHBondContact O-N 2.9Å; I455-E457 VanDerWaalsContact C-N 3.33Å; I455-E457 PolarHBondContact O-N 3.48Å; I455-Y458 PolarHBondContact O-N 2.83Å; I455-L459 HydrophobicContact CG2-CD1 4.31Å; I455-L459 PolarHBondContact O-N 3.3Å; I455-L459 VanDerWaalsContact O-N 3.13Å
456	F	84	Confident	82.9	Confident	9 Å²	9	64 Å²	64	4%	0.039	32%	0.317	C	S	.	.	H	α-helix	trans	-67.6	-30.8	175.6	-66.8	-48.6	0	0	0	113.4	S149 R152 L153 Y156 S452 E453 K454 Y458 L459 D460	S149-F456 WeakPolarHBondContact O-CE2 3.18Å; R152-F456 HydrophobicContact CB-CD1 4.38Å; R152-F456 HydrophobicContact CB-CD2 4.39Å; R152-F456 HydrophobicContact CB-CE1 3.99Å; R152-F456 HydrophobicContact CB-CE2 3.96Å; R152-F456 HydrophobicContact CB-CZ 3.76Å; L153-F456 HydrophobicContact CD2-CE2 4.22Å; L153-F456 HydrophobicContact CD2-CZ 3.77Å; L153-F456 HydrophobicContact CG-CE2 3.86Å; L153-F456 HydrophobicContact CG-CZ 3.75Å; Y156-F456 HydrophobicContact CD2-CE1 4.34Å; Y156-F456 AromaticContact CE2-CE1 3.92Å; Y156-F456 HydrophobicContact CE2-CE1 3.92Å; S452-F456 WeakPolarHBondContact O-CD2 3.42Å; S452-F456 PolarHBondContact O-N 3.11Å; S452-F456 WeakPolarHBondContact OG-CE2 3.01Å; E453-F456 CarbonylContact O-C 3.57Å; E453-F456 PolarHBondContact O-N 3.47Å; E453-F456 VanDerWaalsContact O-N 3.15Å; K454-F456 VanDerWaalsContact C-N 3.33Å; F456-Y458 VanDerWaalsContact C-N 3.25Å; F456-Y458 PolarHBondContact O-N 3.41Å; F456-L459 HydrophobicContact CD1-CD1 3.69Å; F456-L459 HydrophobicContact CE1-CD1 4.08Å; F456-L459 PolarHBondContact O-N 2.9Å; F456-D460 WeakPolarHBondContact O-CB 3.49Å; F456-D460 PolarHBondContact O-N 3.45Å
457	E	83.8	Confident	82.8	Confident	99 Å²	99	63.2 Å²	63.2	46%	0.463	33%	0.325	S	S	.	.	H	α-helix	trans	-57.4	-39.9	170.8	-71.3	178.1	171.2	0	0	111.5	E453 K454 I455 R461	E453-E457 WeakPolarHBondContact O-CG 3.46Å; E453-E457 PolarHBondContact O-N 3.27Å; K454-E457 WeakPolarHBondContact O-CB 3.47Å; K454-E457 PolarHBondContact O-N 3.35Å; I455-E457 VanDerWaalsContact C-N 3.33Å; I455-E457 PolarHBondContact O-N 3.48Å; E457-R461 WeakPolarHBondContact O-CB 3.39Å; E457-R461 PolarHBondContact O-N 3.07Å; E457-R461 VanDerWaalsContact O-N 3.08Å
458	Y	82.3	Confident	82.9	Confident	25 Å²	25	58.7 Å²	58.7	10%	0.098	31%	0.313	C	S	.	.	H	α-helix	trans	-71.5	-40.6	175.7	-72.9	-64.1	0	0	0	113.4	V245 F252 R264 K454 I455 F456 D460 R461	V245-Y458 HydrophobicContact CG2-CD1 4.42Å; F252-Y458 HydrophobicContact CE2-CD1 4.35Å; F252-Y458 AromaticContact CE2-CE1 3.7Å; F252-Y458 HydrophobicContact CE2-CE1 3.7Å; F252-Y458 AromaticContact CZ-CD1 3.96Å; F252-Y458 HydrophobicContact CZ-CD1 3.96Å; F252-Y458 AromaticContact CZ-CE1 3.41Å; F252-Y458 HydrophobicContact CZ-CE1 3.41Å; F252-Y458 VanDerWaalsContact CZ-CE1 3.41Å; R264-Y458 HydrophobicContact CB-CE2 4.26Å; R264-Y458 WeakPolarHBondContact CD-OH 3.42Å; R264-Y458 PolarHBondContact NE-OH 3.33Å; R264-Y458 PolarHBondContact NH1-OH 2.85Å; K454-Y458 WeakPolarHBondContact O-CD2 3.5Å; K454-Y458 PolarHBondContact O-N 3.02Å; I455-Y458 PolarHBondContact O-N 2.83Å; F456-Y458 VanDerWaalsContact C-N 3.25Å; F456-Y458 PolarHBondContact O-N 3.41Å; Y458-D460 VanDerWaalsContact C-N 3.28Å; Y458-D460 PolarHBondContact O-N 3.48Å; Y458-R461 PolarHBondContact O-N 2.83Å
459	L	86.2	Confident	83	Confident	34 Å²	34	59.5 Å²	59.5	18%	0.178	32%	0.321	C	S	.	.	H	α-helix	trans	-63.2	-36.9	177.5	-75.8	166.4	0	0	0	112	A240 V241 A244 I455 F456	A240-L459 HydrophobicContact CB-CD2 3.96Å; V241-L459 HydrophobicContact CB-CD2 4.46Å; V241-L459 HydrophobicContact CG2-CD1 3.87Å; V241-L459 HydrophobicContact CG2-CD2 3.93Å; V241-L459 HydrophobicContact CG2-CG 3.84Å; A244-L459 HydrophobicContact CB-CD2 3.96Å; I455-L459 HydrophobicContact CG2-CD1 4.31Å; I455-L459 PolarHBondContact O-N 3.3Å; I455-L459 VanDerWaalsContact O-N 3.13Å; F456-L459 HydrophobicContact CD1-CD1 3.69Å; F456-L459 HydrophobicContact CE1-CD1 4.08Å; F456-L459 PolarHBondContact O-N 2.9Å
460	D	87.6	Confident	83.4	Confident	83 Å²	83	64.2 Å²	64.2	44%	0.444	36%	0.356	S	S	.	.	H	α-helix	trans	-85.3	-17	-179	-78	7.2	0	0	0	113.8	R152 F456 Y458 K462	R152-D460 IonicContact CZ-OD1 3.37Å; R152-D460 IonicContact CZ-OD2 3.5Å; R152-D460 IonicContact NH1-OD1 3.8Å; R152-D460 PolarHBondContact NH1-OD1 2.88Å; R152-D460 IonicContact NH1-OD2 2.73Å; R152-D460 PolarHBondContact NH1-OD2 3.47Å; R152-D460 IonicContact NH2-OD1 3.49Å; R152-D460 IonicContact NH2-OD2 2.82Å; R152-D460 PolarHBondContact NH2-OD2 2.96Å; F456-D460 WeakPolarHBondContact O-CB 3.49Å; F456-D460 PolarHBondContact O-N 3.45Å; Y458-D460 VanDerWaalsContact C-N 3.28Å; Y458-D460 PolarHBondContact O-N 3.48Å; D460-K462 PolarHBondContact O-N 3.25Å
461	R	87.3	Confident	83.9	Confident	62 Å²	62	65 Å²	65	23%	0.234	35%	0.353	C	S	.	.			trans	-60.1	114.2	-177.8	-169.1	-175.9	-173.3	-72	0.2	109	Q248 E249 E457 Y458	Q248-R461 PolarHBondContact NE2-O 3.4Å; Q248-R461 VanDerWaalsContact OE1-CD 3.26Å; Q248-R461 VanDerWaalsContact OE1-CG 3.3Å; Q248-R461 PolarHBondContact OE1-O 2.82Å; E249-R461 IonicContact OE1-CZ 3.68Å; E249-R461 VanDerWaalsContact OE1-CZ 3.28Å; E249-R461 IonicContact OE1-NH1 3.34Å; E249-R461 PolarHBondContact OE1-NH1 3.3Å; E249-R461 IonicContact OE1-NH2 2.92Å; E249-R461 PolarHBondContact OE1-NH2 2.91Å; E249-R461 IonicContact OE2-CZ 3.84Å; E249-R461 IonicContact OE2-NH1 3.52Å; E249-R461 PolarHBondContact OE2-NH1 2.96Å; E249-R461 IonicContact OE2-NH2 3.17Å; E457-R461 WeakPolarHBondContact O-CB 3.39Å; E457-R461 PolarHBondContact O-N 3.07Å; E457-R461 VanDerWaalsContact O-N 3.08Å; Y458-R461 PolarHBondContact O-N 2.83Å
462	K	86.7	Confident	84.7	Confident	181 Å²	181	65.4 Å²	65.4	79%	0.787	36%	0.356	S	S	*	.			trans	-86.1	132.8	171.2	-65.8	-177.2	-177.8	178	0	108.6	D460 Q464	D460-K462 PolarHBondContact O-N 3.25Å; K462-Q464 PolarHBondContact O-N 3.41Å
463	P	87	Confident	85.1	Confident	56 Å²	56	66.8 Å²	66.8	36%	0.364	37%	0.366	S	S	.	.			trans	-56.4	139.3	174.4	-24.4	34.1	0	0	0	110.7	R247 E249 I465	R247-P463 WeakPolarHBondContact O-CG 3.17Å; E249-P463 WeakPolarHBondContact OE2-CA 3.49Å; P463-I465 PolarHBondContact O-N 3Å
464	Q	82.8	Confident	85.3	Confident	159 Å²	159	73.9 Å²	73.9	74%	0.743	40%	0.398	S	S	*	.	S	Bend	trans	-75.8	-16	179.9	-64.7	-172.8	0.8	0	0	112.7	E249 K462	E249-Q464 PolarHBondContact OE2-N 3.27Å; K462-Q464 PolarHBondContact O-N 3.41Å
465	I	80	Confident	85.7	Confident	38 Å²	38	75.9 Å²	75.9	20%	0.195	41%	0.414	C	S	.	.	S	Bend	trans	-81.7	132.4	177.6	-56.7	-178.5	0	0	0	108.7	E249 P463 F533 Q535	E249-I465 HydrophobicContact CB-CD1 3.47Å; E249-I465 VanDerWaalsContact CB-CD1 3.47Å; E249-I465 HydrophobicContact CB-CG1 3.78Å; E249-I465 HydrophobicContact CG-CD1 4.34Å; E249-I465 HydrophobicContact CG-CG1 4.34Å; P463-I465 PolarHBondContact O-N 3Å; I465-F533 WeakPolarHBondContact CD1-O 3.41Å; I465-Q535 HydrophobicContact CG2-CG 4.09Å
466	P	79.8	Confident	86.1	Confident	53 Å²	53	76.4 Å²	76.4	34%	0.344	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-47.7	144.2	170.1	-27.8	31.1	0	0	0	112.5	R532 Q535	P466-R532 PolarHBondContact O-NH2 3.32Å; P466-R532 VanDerWaalsContact O-NH2 3.11Å; P466-Q535 VanDerWaalsContact CD-CD 3.47Å; P466-Q535 VanDerWaalsContact CD-NE2 3.31Å
467	P	80.4	Confident	86.3	Confident	107 Å²	107	83.6 Å²	83.6	70%	0.695	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-55.6	154.1	179.8	24.7	-34	0	0	0	111.6	R532	P467-R532 PolarHBondContact O-NH2 3.25Å
468	P	82.6	Confident	86.7	Confident	74 Å²	74	78.9 Å²	78.9	48%	0.481	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-56	145.1	176.6	22.4	-32.5	0	0	0	110.7	D553	P468-D553 HydrophobicContact CB-CB 4.35Å
469	G	87.6	Confident	87.3	Confident	22 Å²	22	79.6 Å²	79.6	23%	0.227	43%	0.43	C	S	.	.			trans	-73.7	179.6	171.2	0	0	0	0	0	111.1	Q549 N550 Y551 K552	G469-Q549 PolarHBondContact N-O 2.81Å; G469-N550 CarbonylContact C-O 3.57Å; G469-N550 VanDerWaalsContact CA-O 3.29Å; G469-N550 WeakPolarHBondContact CA-O 3.47Å; G469-Y551 PolarHBondContact N-O 3.4Å; G469-Y551 VanDerWaalsContact N-O 3.07Å; G469-K552 VanDerWaalsContact O-CA 3.23Å; G469-K552 WeakPolarHBondContact O-CA 3.42Å; G469-K552 WeakPolarHBondContact O-CB 3.46Å; G469-K552 PolarHBondContact O-N 3.49Å
470	S	91.7	Very high	87.8	Confident	118 Å²	118	78 Å²	78	83%	0.825	42%	0.421	S	S	*	.			trans	-102.9	-5.3	-178.3	55.7	0	0	0	0	113.8	A472 N550	S470-A472 PolarHBondContact O-N 3.01Å; S470-N550 PolarHBondContact N-O 2.86Å
471	L	92	Very high	88.2	Confident	46 Å²	46	75.9 Å²	75.9	24%	0.241	41%	0.409	C	S	.	.	B	Isolated β-bridge	trans	-73.8	125.3	-172.3	-165.3	93.6	0	0	0	111.3	K546 N550 Y551 K552	L471-K546 HydrophobicContact CD1-CD 4.25Å; L471-K546 HydrophobicContact CD2-CB 4.43Å; L471-K546 HydrophobicContact CD2-CD 3.5Å; L471-K546 VanDerWaalsContact CD2-CD 3.5Å; L471-N550 WeakPolarHBondContact CB-O 3.43Å; L471-N550 PolarHBondContact N-O 3.12Å; L471-Y551 HydrophobicContact CD2-CD1 3.76Å; L471-Y551 HydrophobicContact CD2-CD2 4.11Å; L471-Y551 HydrophobicContact CD2-CE1 3.43Å; L471-Y551 VanDerWaalsContact CD2-CE1 3.43Å; L471-Y551 HydrophobicContact CD2-CE2 3.8Å; L471-Y551 HydrophobicContact CD2-CG 4.1Å; L471-Y551 VanDerWaalsContact CD2-CZ 3.45Å; L471-Y551 HydrophobicContact CG-CD1 4.49Å; L471-Y551 HydrophobicContact CG-CE1 4.45Å; L471-Y551 WeakPolarHBondContact O-CA 3.45Å; L471-K552 PolarHBondContact O-N 3.28Å
472	A	92.4	Very high	88.6	Confident	53 Å²	53	73.1 Å²	73.1	44%	0.438	40%	0.399	S	S	.	.			trans	-145.2	76.4	174.4	0	0	0	0	0	109	S470 Y555	S470-A472 PolarHBondContact O-N 3.01Å; A472-Y555 HydrophobicContact CB-CD1 4.41Å; A472-Y555 HydrophobicContact CB-CD2 3.63Å; A472-Y555 HydrophobicContact CB-CE2 4.22Å; A472-Y555 HydrophobicContact CB-CG 3.75Å
473	P	91.3	Very high	89.1	Confident	30 Å²	30	68.4 Å²	68.4	20%	0.195	38%	0.378	C	S	.	.			trans	-69.3	143.6	-176.3	29.5	-33.2	0	0	0	111.1	F476 Y551 Y555	P473-F476 HydrophobicContact CG-CD2 4.49Å; P473-Y551 HydrophobicContact CG-CE1 3.98Å; P473-Y555 HydrophobicContact CG-CE1 4.29Å; P473-Y555 WeakPolarHBondContact O-CE2 3.29Å; P473-Y555 PolarHBondContact O-OH 3.17Å
474	E	85.6	Confident	89.4	Confident	192 Å²	192	70.2 Å²	70.2	90%	0.897	39%	0.385	S	S	*	.	S	Bend	trans	-68.5	-39.7	176.1	-65.5	-178.3	171	0	0	112
475	N	86.3	Confident	90	Very high	149 Å²	149	62.6 Å²	62.6	80%	0.797	35%	0.349	S	S	*	.			trans	-95.4	110.5	177.2	-72.7	-32.8	0	0	0	110.4
476	F	89.9	Confident	90.7	Very high	15 Å²	15	65.6 Å²	65.6	7%	0.066	36%	0.358	C	S	.	.			trans	-127	118.7	178.2	-173.7	-98.1	0	0	0	109.9	P473 L543 D544 Y551 Y555 K559 K640 I641	P473-F476 HydrophobicContact CG-CD2 4.49Å; F476-L543 HydrophobicContact CE2-CB 4.21Å; F476-L543 HydrophobicContact CE2-CD1 4.39Å; F476-L543 HydrophobicContact CZ-CD1 4.26Å; F476-D544 WeakPolarHBondContact CA-OD2 3.32Å; F476-D544 WeakPolarHBondContact CD2-OD2 3.28Å; F476-Y551 HydrophobicContact CD2-CE1 4.39Å; F476-Y551 HydrophobicContact CE2-CE1 4.15Å; F476-Y555 VanDerWaalsContact CB-OH 3.23Å; F476-Y555 WeakPolarHBondContact CB-OH 3.38Å; F476-Y555 HydrophobicContact CD2-CE1 4.33Å; F476-K559 HydrophobicContact CD1-CB 4.02Å; F476-K559 HydrophobicContact CD1-CG 4.2Å; F476-K559 HydrophobicContact CE1-CB 3.88Å; F476-K559 HydrophobicContact CE1-CG 4.5Å; F476-K559 HydrophobicContact CG-CG 4.49Å; F476-K559 HydrophobicContact CZ-CB 4.48Å; F476-K640 HydrophobicContact CD1-CB 3.48Å; F476-K640 VanDerWaalsContact CD1-CB 3.48Å; F476-K640 HydrophobicContact CD1-CG 3.87Å; F476-K640 HydrophobicContact CE1-CB 3.75Å; F476-I641 HydrophobicContact CE1-CD1 3.84Å; F476-I641 HydrophobicContact CE1-CG1 4.16Å; F476-I641 HydrophobicContact CZ-CD1 3.76Å
477	K	90.1	Very high	91.4	Very high	160 Å²	160	63.3 Å²	63.3	70%	0.696	34%	0.343	S	S	*	.			trans	-88.5	-30.7	-176.2	-62.2	-176.2	179.9	-178.7	0	111.4	P509 D544	K477-P509 HydrophobicContact CB-CG 4.07Å; K477-P509 WeakPolarHBondContact O-CB 3.43Å; K477-P509 VanDerWaalsContact O-CG 3.27Å; K477-P509 WeakPolarHBondContact O-CG 3.38Å; K477-D544 PolarHBondContact N-OD2 2.96Å
478	G	91.2	Very high	91.9	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.311	C	S	.	.			trans	89.6	25.9	178.4	0	0	0	0	0	113.9	D544 S671	G478-D544 PolarHBondContact N-OD1 3.49Å; G478-D544 VanDerWaalsContact N-OD1 3.09Å; G478-D544 PolarHBondContact N-OD2 3.36Å; G478-S671 WeakPolarHBondContact O-CB 3.11Å; G478-S671 PolarHBondContact O-OG 2.98Å
479	H	94.9	Very high	92.1	Very high	39 Å²	39	59.6 Å²	59.6	18%	0.181	31%	0.306	C	S	.	.			trans	-77.7	123.5	174.6	179.2	-129.4	0	0	0	110.4	Q481 E506 P509 L543 D544	H479-Q481 VanDerWaalsContact CE1-CG 3.5Å; H479-Q481 WeakPolarHBondContact CE1-CG 3.27Å; H479-Q481 PolarHBondContact CE1-NE2 2.96Å; H479-E506 IonicContact CD2-OE1 3.98Å; H479-E506 IonicContact CE1-OE1 2.88Å; H479-E506 VanDerWaalsContact NE2-CD 3.27Å; H479-E506 IonicContact NE2-OE1 2.61Å; H479-E506 PolarHBondContact NE2-OE1 3.31Å; H479-E506 IonicContact NE2-OE2 3.77Å; H479-P509 HydrophobicContact CB-CG 4.09Å; H479-L543 CarbonylContact O-C 3.54Å; H479-L543 WeakPolarHBondContact O-CA 3.48Å; H479-D544 VanDerWaalsContact CB-OD1 3.31Å; H479-D544 WeakPolarHBondContact CB-OD1 3.24Å; H479-D544 PolarHBondContact N-OD1 2.92Å; H479-D544 PolarHBondContact O-N 2.98Å
480	V	96.3	Very high	91.7	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.2	-178.6	-170.6	0	0	0	0	109.6	F482 E506 V507 L530 L542 L543 I641	V480-F482 HydrophobicContact CG1-CD2 4.14Å; V480-F482 HydrophobicContact CG1-CE2 3.82Å; V480-E506 WeakPolarHBondContact O-CA 3.19Å; V480-V507 HydrophobicContact CB-CB 4.02Å; V480-V507 HydrophobicContact CB-CG2 4.38Å; V480-V507 HydrophobicContact CG2-CB 4.33Å; V480-V507 PolarHBondContact N-O 3.27Å; V480-V507 PolarHBondContact O-N 3.29Å; V480-L530 HydrophobicContact CG1-CD1 3.59Å; V480-L530 HydrophobicContact CG1-CD2 4.13Å; V480-L530 HydrophobicContact CG2-CD1 4.43Å; V480-L530 HydrophobicContact CG2-CD2 4.44Å; V480-L542 WeakPolarHBondContact CA-O 3.38Å; V480-L543 HydrophobicContact CB-CD2 4.2Å; V480-L543 HydrophobicContact CG1-CD2 4.09Å; V480-L543 HydrophobicContact CG2-CD2 3.68Å; V480-I641 HydrophobicContact CG2-CD1 3.57Å; V480-I641 HydrophobicContact CG2-CG1 4.27Å; V480-I641 HydrophobicContact CG2-CG2 4.48Å
481	Q	96.3	Very high	90.7	Very high	39 Å²	39	59 Å²	59	18%	0.182	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	129.3	174.2	-65.1	-177.3	-40	0	0	110.8	H479 E506 I541 L542	H479-Q481 VanDerWaalsContact CE1-CG 3.5Å; H479-Q481 WeakPolarHBondContact CE1-CG 3.27Å; H479-Q481 PolarHBondContact CE1-NE2 2.96Å; Q481-E506 HydrophobicContact CG-CG 4.04Å; Q481-E506 PolarHBondContact NE2-OE2 3.36Å; Q481-I541 CarbonylContact O-C 3.58Å; Q481-I541 WeakPolarHBondContact O-CA 3.37Å; Q481-L542 HydrophobicContact CB-CB 4.31Å; Q481-L542 PolarHBondContact N-O 2.93Å; Q481-L542 PolarHBondContact O-N 2.95Å
482	F	96.8	Very high	89.9	Confident	5 Å²	5	63 Å²	63	2%	0.022	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.6	166.2	-73.2	-122.2	0	0	0	107.3	V480 V485 T504 L505 C526 L530 I541	V480-F482 HydrophobicContact CG1-CD2 4.14Å; V480-F482 HydrophobicContact CG1-CE2 3.82Å; F482-V485 HydrophobicContact CB-CG2 3.98Å; F482-V485 HydrophobicContact CD1-CB 4.15Å; F482-V485 HydrophobicContact CD1-CG1 4.36Å; F482-V485 HydrophobicContact CD1-CG2 3.84Å; F482-V485 HydrophobicContact CG-CG2 4.31Å; F482-T504 VanDerWaalsContact O-CA 3.27Å; F482-T504 WeakPolarHBondContact O-CA 3.36Å; F482-T504 WeakPolarHBondContact O-CG2 3.27Å; F482-L505 HydrophobicContact CB-CD1 4.35Å; F482-L505 HydrophobicContact CB-CG 3.95Å; F482-L505 HydrophobicContact CD2-CD1 3.43Å; F482-L505 VanDerWaalsContact CD2-CD1 3.43Å; F482-L505 HydrophobicContact CD2-CG 3.9Å; F482-L505 HydrophobicContact CE2-CD1 3.94Å; F482-L505 HydrophobicContact CG-CD1 4.01Å; F482-L505 HydrophobicContact CG-CG 3.93Å; F482-L505 PolarHBondContact N-O 2.69Å; F482-L505 PolarHBondContact O-N 3.44Å; F482-C526 HydrophobicContact CE1-CB 4.24Å; F482-C526 HydrophobicContact CZ-CB 4.26Å; F482-L530 HydrophobicContact CZ-CB 4.32Å; F482-I541 HydrophobicContact CD1-CD1 4.02Å; F482-I541 HydrophobicContact CD1-CG1 3.88Å; F482-I541 HydrophobicContact CD2-CG2 4.28Å; F482-I541 HydrophobicContact CE1-CD1 3.54Å; F482-I541 HydrophobicContact CE1-CG1 3.91Å; F482-I541 HydrophobicContact CE2-CG2 4.07Å; F482-I541 HydrophobicContact CG-CG1 4.21Å; F482-I541 HydrophobicContact CZ-CD1 3.86Å; F482-I541 HydrophobicContact CZ-CG1 4.27Å; F482-I541 HydrophobicContact CZ-CG2 4.31Å
483	K	95.9	Very high	88.8	Confident	82 Å²	82	65.8 Å²	65.8	36%	0.357	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	106.7	178.4	-68.3	-177.2	175	177.2	0	110.2	V485 G539 E540 L542	K483-V485 VanDerWaalsContact C-N 3.25Å; K483-V485 PolarHBondContact O-N 2.85Å; K483-G539 WeakPolarHBondContact O-CA 3.33Å; K483-E540 HydrophobicContact CB-CG 4.05Å; K483-E540 HydrophobicContact CD-CG 4.23Å; K483-E540 PolarHBondContact N-O 2.89Å; K483-E540 PolarHBondContact O-N 2.93Å; K483-E540 VanDerWaalsContact O-N 3.11Å; K483-L542 HydrophobicContact CD-CD1 3.82Å; K483-L542 VanDerWaalsContact CE-CD1 3.43Å
484	N	94.6	Very high	88	Confident	93 Å²	93	69 Å²	69	50%	0.497	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.6	45	176.4	-55.4	99.1	0	0	0	113.4	R486 V503 T504 G539	N484-R486 PolarHBondContact O-N 2.76Å; N484-V503 PolarHBondContact N-O 3.39Å; N484-T504 PolarHBondContact N-OG1 2.89Å; N484-T504 VanDerWaalsContact N-OG1 3.09Å; N484-G539 WeakPolarHBondContact O-CA 3.48Å
485	V	95.3	Very high	87.2	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	126	-173.2	173.1	0	0	0	0	110.9	F482 K483 L500 D502 V503 L529 P536 S538 I541	F482-V485 HydrophobicContact CB-CG2 3.98Å; F482-V485 HydrophobicContact CD1-CB 4.15Å; F482-V485 HydrophobicContact CD1-CG1 4.36Å; F482-V485 HydrophobicContact CD1-CG2 3.84Å; F482-V485 HydrophobicContact CG-CG2 4.31Å; K483-V485 VanDerWaalsContact C-N 3.25Å; K483-V485 PolarHBondContact O-N 2.85Å; V485-L500 HydrophobicContact CG1-CD1 4.37Å; V485-D502 WeakPolarHBondContact O-CA 3.44Å; V485-D502 PolarHBondContact O-N 3.3Å; V485-D502 VanDerWaalsContact O-N 3.13Å; V485-V503 PolarHBondContact N-O 3.32Å; V485-V503 PolarHBondContact O-N 3.46Å; V485-L529 HydrophobicContact CG1-CD1 4.06Å; V485-P536 HydrophobicContact CG1-CB 3.82Å; V485-S538 WeakPolarHBondContact CA-O 3.48Å; V485-I541 HydrophobicContact CG2-CG1 3.93Å
486	R	93.9	Very high	86.5	Confident	100 Å²	100	64.1 Å²	64.1	38%	0.377	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	138.2	170.2	-66.5	-175.8	-126.6	156.4	1.3	111.1	N484 L498 L500 D502 Q537 S538	N484-R486 PolarHBondContact O-N 2.76Å; R486-L498 HydrophobicContact CB-CD2 4.33Å; R486-L500 WeakPolarHBondContact CA-O 3.35Å; R486-D502 IonicContact CZ-OD1 2.82Å; R486-D502 IonicContact NE-OD1 3.2Å; R486-D502 PolarHBondContact NE-OD1 3.29Å; R486-D502 IonicContact NE-OD2 2.77Å; R486-D502 PolarHBondContact NE-OD2 3.06Å; R486-D502 IonicContact NH2-OD1 3.64Å; R486-D502 PolarHBondContact NH2-OD1 3.46Å; R486-Q537 PolarHBondContact O-N 3.46Å; R486-S538 PolarHBondContact N-O 3.31Å; R486-S538 PolarHBondContact O-N 3.47Å
487	F	93.6	Very high	86	Confident	6 Å²	6	64.9 Å²	64.9	3%	0.026	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	143.1	-177.7	179.2	-98.5	0	0	0	113.8	Y489 V499 L500 T525 L529 Y534 Q535	F487-Y489 AromaticContact CE1-CD1 3.89Å; F487-Y489 HydrophobicContact CE1-CD1 3.89Å; F487-Y489 HydrophobicContact CE1-CD2 4Å; F487-Y489 AromaticContact CE1-CE1 3.86Å; F487-Y489 HydrophobicContact CE1-CE1 3.86Å; F487-Y489 AromaticContact CE1-CE2 3.97Å; F487-Y489 HydrophobicContact CE1-CE2 3.97Å; F487-Y489 AromaticContact CE1-CG 3.95Å; F487-Y489 HydrophobicContact CE1-CG 3.95Å; F487-Y489 AromaticContact CE1-CZ 3.89Å; F487-Y489 AromaticContact CZ-CD1 3.96Å; F487-Y489 HydrophobicContact CZ-CD1 3.96Å; F487-Y489 HydrophobicContact CZ-CE1 4.12Å; F487-Y489 HydrophobicContact CZ-CG 4.3Å; F487-V499 PolarHBondContact O-N 3.15Å; F487-L500 HydrophobicContact CB-CB 4.28Å; F487-L500 HydrophobicContact CB-CD1 4.34Å; F487-L500 HydrophobicContact CB-CG 4.44Å; F487-L500 PolarHBondContact N-O 2.7Å; F487-L500 VanDerWaalsContact N-O 3.15Å; F487-L500 PolarHBondContact O-N 3.3Å; F487-L500 VanDerWaalsContact O-N 3.16Å; F487-T525 HydrophobicContact CD1-CG2 3.32Å; F487-T525 HydrophobicContact CE1-CG2 3.58Å; F487-T525 HydrophobicContact CG-CG2 4.34Å; F487-L529 HydrophobicContact CB-CD1 4.07Å; F487-L529 HydrophobicContact CD2-CD2 3.79Å; F487-L529 HydrophobicContact CE2-CD2 4.04Å; F487-L529 HydrophobicContact CG-CD1 4.14Å; F487-L529 HydrophobicContact CG-CD2 4.13Å; F487-Y534 HydrophobicContact CE2-CD1 4.09Å; F487-Y534 HydrophobicContact CE2-CG 4.17Å; F487-Y534 AromaticContact CZ-CD1 3.61Å; F487-Y534 HydrophobicContact CZ-CD1 3.61Å; F487-Y534 HydrophobicContact CZ-CE1 4.4Å; F487-Y534 AromaticContact CZ-CG 3.73Å; F487-Y534 HydrophobicContact CZ-CG 3.73Å; F487-Q535 VanDerWaalsContact CD2-O 3.24Å; F487-Q535 WeakPolarHBondContact CD2-O 3.49Å; F487-Q535 WeakPolarHBondContact CE2-O 3.49Å
488	S	91.3	Very high	85.8	Confident	4 Å²	4	58.7 Å²	58.7	3%	0.028	32%	0.321	C	S	.	.			trans	-140.1	145.7	166.7	74.1	0	0	0	0	111.3	G491 K492 S497 Q537	S488-G491 PolarHBondContact OG-N 3.42Å; S488-K492 WeakPolarHBondContact CB-O 3.38Å; S488-K492 PolarHBondContact OG-N 3.31Å; S488-K492 PolarHBondContact OG-O 2.87Å; S488-S497 WeakPolarHBondContact CB-O 3.42Å; S488-Q537 VanDerWaalsContact N-OE1 3.13Å; S488-Q537 PolarHBondContact OG-NE2 2.88Å; S488-Q537 PolarHBondContact OG-OE1 3.17Å
489	Y	87.6	Confident	85.8	Confident	98 Å²	98	60.7 Å²	60.7	38%	0.384	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-26.7	177.5	-70.7	-80.4	0	0	0	113.4	F487 G491 V499 T525 K528 Y534	F487-Y489 AromaticContact CE1-CD1 3.89Å; F487-Y489 HydrophobicContact CE1-CD1 3.89Å; F487-Y489 HydrophobicContact CE1-CD2 4Å; F487-Y489 AromaticContact CE1-CE1 3.86Å; F487-Y489 HydrophobicContact CE1-CE1 3.86Å; F487-Y489 AromaticContact CE1-CE2 3.97Å; F487-Y489 HydrophobicContact CE1-CE2 3.97Å; F487-Y489 AromaticContact CE1-CG 3.95Å; F487-Y489 HydrophobicContact CE1-CG 3.95Å; F487-Y489 AromaticContact CE1-CZ 3.89Å; F487-Y489 AromaticContact CZ-CD1 3.96Å; F487-Y489 HydrophobicContact CZ-CD1 3.96Å; F487-Y489 HydrophobicContact CZ-CE1 4.12Å; F487-Y489 HydrophobicContact CZ-CG 4.3Å; Y489-G491 PolarHBondContact O-N 3.17Å; Y489-V499 HydrophobicContact CD2-CG2 3.98Å; Y489-V499 HydrophobicContact CE2-CG2 4.23Å; Y489-T525 HydrophobicContact CE2-CG2 4.23Å; Y489-T525 PolarHBondContact OH-OG1 3.39Å; Y489-T525 VanDerWaalsContact OH-OG1 3.04Å; Y489-K528 HydrophobicContact CE1-CD 4.37Å; Y489-K528 WeakPolarHBondContact OH-CD 3.48Å; Y489-Y534 HydrophobicContact CD1-CD1 4.31Å; Y489-Y534 AromaticContact CD1-CE1 3.74Å; Y489-Y534 HydrophobicContact CD1-CE1 3.74Å; Y489-Y534 HydrophobicContact CD1-CE2 4.38Å; Y489-Y534 AromaticContact CD1-CZ 3.78Å; Y489-Y534 HydrophobicContact CE1-CD1 4.45Å; Y489-Y534 HydrophobicContact CE1-CD2 4.26Å; Y489-Y534 HydrophobicContact CE1-CE1 4.01Å; Y489-Y534 AromaticContact CE1-CE2 3.83Å; Y489-Y534 HydrophobicContact CE1-CE2 3.83Å; Y489-Y534 AromaticContact CE1-CZ 3.68Å
490	S	79.3	Confident	85.7	Confident	75 Å²	75	58.8 Å²	58.8	52%	0.524	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-6	-179.3	62.3	0	0	0	0	113.3	K492	S490-K492 PolarHBondContact O-N 2.95Å; S490-K492 VanDerWaalsContact O-N 3.12Å; S490-K492 PolarHBondContact OG-N 3.48Å
491	G	71.3	Confident	85.6	Confident	53 Å²	53	62.4 Å²	62.4	55%	0.546	34%	0.34	S	S	.	.			trans	70.3	-4.9	-171.4	0	0	0	0	0	114.1	S488 Y489 Q537	S488-G491 PolarHBondContact OG-N 3.42Å; Y489-G491 PolarHBondContact O-N 3.17Å; G491-Q537 VanDerWaalsContact C-NE2 3.25Å; G491-Q537 PolarHBondContact O-NE2 3.27Å; G491-Q537 VanDerWaalsContact O-NE2 3.11Å
492	K	73.5	Confident	85.4	Confident	130 Å²	130	63.9 Å²	63.9	57%	0.565	35%	0.35	S	S	*	.			trans	-75.6	144.2	177.2	-62.6	-174.5	178.7	-175.8	0	110.7	S488 S490 S497 Q537	S488-K492 WeakPolarHBondContact CB-O 3.38Å; S488-K492 PolarHBondContact OG-N 3.31Å; S488-K492 PolarHBondContact OG-O 2.87Å; S490-K492 PolarHBondContact O-N 2.95Å; S490-K492 VanDerWaalsContact O-N 3.12Å; S490-K492 PolarHBondContact OG-N 3.48Å; K492-S497 PolarHBondContact O-OG 2.82Å; K492-S497 VanDerWaalsContact O-OG 3.12Å; K492-Q537 PolarHBondContact O-NE2 3.42Å
493	T	69.7	Low	85.2	Confident	111 Å²	111	63.7 Å²	63.7	68%	0.681	35%	0.348	S	S	*	.			trans	-97.4	8.2	-179.7	51.4	0	0	0	0	113.2
494	D	75.4	Confident	85.2	Confident	98 Å²	98	63 Å²	63	52%	0.524	35%	0.351	S	S	.	.			trans	-66.4	139.3	179.9	-57.3	-29.8	0	0	0	110.3	N496 S497 L498	D494-N496 PolarHBondContact O-N 3.44Å; D494-N496 VanDerWaalsContact O-N 3.08Å; D494-S497 PolarHBondContact N-OG 3.1Å; D494-S497 WeakPolarHBondContact O-CA 3.35Å; D494-S497 PolarHBondContact O-N 2.98Å; D494-S497 PolarHBondContact O-OG 3.35Å; D494-L498 PolarHBondContact O-N 3.28Å
495	A	68.3	Low	85.1	Confident	69 Å²	69	59 Å²	59	57%	0.57	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-30.3	-174.7	0	0	0	0	0	114.2
496	N	72	Confident	85.1	Confident	169 Å²	169	62.5 Å²	62.5	90%	0.904	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-15.3	176.9	-73.8	-9.2	0	0	0	113.7	D494	D494-N496 PolarHBondContact O-N 3.44Å; D494-N496 VanDerWaalsContact O-N 3.08Å
497	S	79.1	Confident	85.1	Confident	31 Å²	31	57.8 Å²	57.8	22%	0.217	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-17.2	179.3	71.5	0	0	0	0	113.4	S488 K492 D494 V499	S488-S497 WeakPolarHBondContact CB-O 3.42Å; K492-S497 PolarHBondContact O-OG 2.82Å; K492-S497 VanDerWaalsContact O-OG 3.12Å; D494-S497 PolarHBondContact N-OG 3.1Å; D494-S497 WeakPolarHBondContact O-CA 3.35Å; D494-S497 PolarHBondContact O-N 2.98Å; D494-S497 PolarHBondContact O-OG 3.35Å; S497-V499 PolarHBondContact O-N 3.37Å
498	L	86.1	Confident	85	Confident	31 Å²	31	59.3 Å²	59.3	16%	0.162	34%	0.338	C	S	.	.			trans	-68.6	123.1	177.4	-73.3	171.1	0	0	0	111	R486 D494 K501	R486-L498 HydrophobicContact CB-CD2 4.33Å; D494-L498 PolarHBondContact O-N 3.28Å; L498-K501 HydrophobicContact CB-CG 3.93Å; L498-K501 HydrophobicContact CD1-CG 4.45Å
499	V	91.4	Very high	84.9	Confident	41 Å²	41	61.6 Å²	61.6	25%	0.248	35%	0.353	C	S	.	.	S	Bend	trans	-86.5	-37.1	173.9	179.5	0	0	0	0	110.6	F487 Y489 S497 T525 G694	F487-V499 PolarHBondContact O-N 3.15Å; Y489-V499 HydrophobicContact CD2-CG2 3.98Å; Y489-V499 HydrophobicContact CE2-CG2 4.23Å; S497-V499 PolarHBondContact O-N 3.37Å; V499-T525 HydrophobicContact CG1-CG2 4.21Å; V499-T525 WeakPolarHBondContact CG1-OG1 3.48Å; V499-G694 WeakPolarHBondContact O-CA 3.47Å
500	L	92.9	Very high	84.9	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.6	172.4	-56.2	-178.7	0	0	0	109.5	V485 R486 F487 V503 T525 L529 L691	V485-L500 HydrophobicContact CG1-CD1 4.37Å; R486-L500 WeakPolarHBondContact CA-O 3.35Å; F487-L500 HydrophobicContact CB-CB 4.28Å; F487-L500 HydrophobicContact CB-CD1 4.34Å; F487-L500 HydrophobicContact CB-CG 4.44Å; F487-L500 PolarHBondContact N-O 2.7Å; F487-L500 VanDerWaalsContact N-O 3.15Å; F487-L500 PolarHBondContact O-N 3.3Å; F487-L500 VanDerWaalsContact O-N 3.16Å; L500-V503 HydrophobicContact CB-CG2 3.93Å; L500-V503 HydrophobicContact CD2-CG2 4.11Å; L500-V503 HydrophobicContact CG-CG2 4.46Å; L500-T525 HydrophobicContact CD1-CG2 4.04Å; L500-T525 HydrophobicContact CG-CG2 4.15Å; L500-L529 HydrophobicContact CD1-CD1 3.48Å; L500-L529 VanDerWaalsContact CD1-CD1 3.48Å; L500-L691 HydrophobicContact CD2-CD2 4.47Å
501	K	92.8	Very high	85.2	Confident	75 Å²	75	56.6 Å²	56.6	33%	0.326	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	93.1	-173	-61.7	174.9	-174.7	170.9	0	109.1	L498 V503 G694 T695	L498-K501 HydrophobicContact CB-CG 3.93Å; L498-K501 HydrophobicContact CD1-CG 4.45Å; K501-V503 VanDerWaalsContact C-N 3.29Å; K501-V503 PolarHBondContact O-N 3.39Å; K501-G694 PolarHBondContact N-O 2.94Å; K501-T695 HydrophobicContact CB-CG2 3.89Å
502	D	91.7	Very high	86.2	Confident	71 Å²	71	54.7 Å²	54.7	38%	0.38	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.8	39.5	177.9	-62.2	-64.9	0	0	0	113.9	V485 R486 T504	V485-D502 WeakPolarHBondContact O-CA 3.44Å; V485-D502 PolarHBondContact O-N 3.3Å; V485-D502 VanDerWaalsContact O-N 3.13Å; R486-D502 IonicContact CZ-OD1 2.82Å; R486-D502 IonicContact NE-OD1 3.2Å; R486-D502 PolarHBondContact NE-OD1 3.29Å; R486-D502 IonicContact NE-OD2 2.77Å; R486-D502 PolarHBondContact NE-OD2 3.06Å; R486-D502 IonicContact NH2-OD1 3.64Å; R486-D502 PolarHBondContact NH2-OD1 3.46Å; D502-T504 PolarHBondContact O-N 3.48Å
503	V	93.9	Very high	87.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	123.4	-178.4	174.4	0	0	0	0	110.5	N484 V485 L500 K501 L505 L691 G694 V696	N484-V503 PolarHBondContact N-O 3.39Å; V485-V503 PolarHBondContact N-O 3.32Å; V485-V503 PolarHBondContact O-N 3.46Å; L500-V503 HydrophobicContact CB-CG2 3.93Å; L500-V503 HydrophobicContact CD2-CG2 4.11Å; L500-V503 HydrophobicContact CG-CG2 4.46Å; K501-V503 VanDerWaalsContact C-N 3.29Å; K501-V503 PolarHBondContact O-N 3.39Å; V503-L505 HydrophobicContact CG1-CD2 3.82Å; V503-L505 HydrophobicContact CG1-CG 4.27Å; V503-L691 HydrophobicContact CG1-CD1 4.44Å; V503-L691 HydrophobicContact CG2-CD1 4.13Å; V503-G694 WeakPolarHBondContact CG2-O 3.07Å; V503-V696 HydrophobicContact CG1-CG2 3.87Å
504	T	94.9	Very high	88.2	Confident	67 Å²	67	43.2 Å²	43.2	41%	0.411	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.5	171.4	-57.7	0	0	0	0	107.6	F482 N484 D502 V696	F482-T504 VanDerWaalsContact O-CA 3.27Å; F482-T504 WeakPolarHBondContact O-CA 3.36Å; F482-T504 WeakPolarHBondContact O-CG2 3.27Å; N484-T504 PolarHBondContact N-OG1 2.89Å; N484-T504 VanDerWaalsContact N-OG1 3.09Å; D502-T504 PolarHBondContact O-N 3.48Å; T504-V696 WeakPolarHBondContact O-CG2 3.47Å
505	L	94	Very high	89	Confident	10 Å²	10	38.7 Å²	38.7	5%	0.052	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	155.1	179.8	66.5	79.4	0	0	0	110.4	F482 V503 V507 L515 I689	F482-L505 HydrophobicContact CB-CD1 4.35Å; F482-L505 HydrophobicContact CB-CG 3.95Å; F482-L505 HydrophobicContact CD2-CD1 3.43Å; F482-L505 VanDerWaalsContact CD2-CD1 3.43Å; F482-L505 HydrophobicContact CD2-CG 3.9Å; F482-L505 HydrophobicContact CE2-CD1 3.94Å; F482-L505 HydrophobicContact CG-CD1 4.01Å; F482-L505 HydrophobicContact CG-CG 3.93Å; F482-L505 PolarHBondContact N-O 2.69Å; F482-L505 PolarHBondContact O-N 3.44Å; V503-L505 HydrophobicContact CG1-CD2 3.82Å; V503-L505 HydrophobicContact CG1-CG 4.27Å; L505-V507 HydrophobicContact CD1-CG2 4.26Å; L505-L515 HydrophobicContact CD2-CD1 4.48Å; L505-I689 HydrophobicContact CB-CD1 3.86Å; L505-I689 HydrophobicContact CB-CG2 4.4Å
506	E	94.1	Very high	90	Very high	73 Å²	73	35.4 Å²	35.4	34%	0.341	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	133.7	-178.6	-175.7	164.4	156.6	0	0	111.5	H479 V480 Q481 T508	H479-E506 IonicContact CD2-OE1 3.98Å; H479-E506 IonicContact CE1-OE1 2.88Å; H479-E506 VanDerWaalsContact NE2-CD 3.27Å; H479-E506 IonicContact NE2-OE1 2.61Å; H479-E506 PolarHBondContact NE2-OE1 3.31Å; H479-E506 IonicContact NE2-OE2 3.77Å; V480-E506 WeakPolarHBondContact O-CA 3.19Å; Q481-E506 HydrophobicContact CG-CG 4.04Å; Q481-E506 PolarHBondContact NE2-OE2 3.36Å; E506-T508 HydrophobicContact CG-CG2 3.92Å; E506-T508 WeakPolarHBondContact OE1-CG2 3.4Å
507	V	94.1	Very high	90.8	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	115.7	172	-173	0	0	0	0	107.6	V480 L505 T513 L673	V480-V507 HydrophobicContact CB-CB 4.02Å; V480-V507 HydrophobicContact CB-CG2 4.38Å; V480-V507 HydrophobicContact CG2-CB 4.33Å; V480-V507 PolarHBondContact N-O 3.27Å; V480-V507 PolarHBondContact O-N 3.29Å; L505-V507 HydrophobicContact CD1-CG2 4.26Å; V507-T513 HydrophobicContact CG2-CG2 4.47Å; V507-L673 HydrophobicContact CG2-CD1 4.1Å
508	T	91.4	Very high	90.9	Very high	37 Å²	37	30.7 Å²	30.7	23%	0.227	17%	0.171	C	C	.	.			trans	-99.8	148.3	-176.4	71.9	0	0	0	0	112.3	E506 Q511	E506-T508 HydrophobicContact CG-CG2 3.92Å; E506-T508 WeakPolarHBondContact OE1-CG2 3.4Å; T508-Q511 VanDerWaalsContact OG1-CG 3.23Å; T508-Q511 WeakPolarHBondContact OG1-CG 3.34Å; T508-Q511 PolarHBondContact OG1-NE2 3.15Å
509	P	90.4	Very high	90.6	Very high	53 Å²	53	35.4 Å²	35.4	34%	0.344	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	149.6	171.8	-21.6	33.9	0	0	0	112.4	K477 H479 Q511 S671	K477-P509 HydrophobicContact CB-CG 4.07Å; K477-P509 WeakPolarHBondContact O-CB 3.43Å; K477-P509 VanDerWaalsContact O-CG 3.27Å; K477-P509 WeakPolarHBondContact O-CG 3.38Å; H479-P509 HydrophobicContact CB-CG 4.09Å; P509-Q511 VanDerWaalsContact C-N 3.34Å; P509-S671 WeakPolarHBondContact CA-OG 3.33Å
510	G	85.8	Confident	90.1	Very high	26 Å²	26	45.1 Å²	45.1	27%	0.268	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	4.7	173.2	0	0	0	0	0	115	A667 R686	G510-A667 CarbonylContact C-O 3.46Å; G510-A667 WeakPolarHBondContact CA-O 3.26Å; G510-R686 PolarHBondContact O-NH1 3.35Å
511	Q	87.4	Confident	89.7	Confident	41 Å²	41	45.2 Å²	45.2	19%	0.192	23%	0.23	C	C	.	.	S	Bend	trans	-143.5	160.4	178	65.6	172	-0	0	0	113.7	T508 P509 V672 R686	T508-Q511 VanDerWaalsContact OG1-CG 3.23Å; T508-Q511 WeakPolarHBondContact OG1-CG 3.34Å; T508-Q511 PolarHBondContact OG1-NE2 3.15Å; P509-Q511 VanDerWaalsContact C-N 3.34Å; Q511-V672 PolarHBondContact O-N 2.93Å; Q511-R686 HydrophobicContact CB-CB 4.34Å
512	I	91.1	Very high	89.5	Confident	13 Å²	13	41.9 Å²	41.9	7%	0.067	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	122.4	172.1	-57.2	174	0	0	0	108.2	A667 V672 M674 A685 R686	I512-A667 HydrophobicContact CD1-CB 4.25Å; I512-A667 HydrophobicContact CG1-CB 3.65Å; I512-V672 WeakPolarHBondContact CA-O 3.23Å; I512-V672 HydrophobicContact CG1-CB 4.15Å; I512-V672 HydrophobicContact CG2-CG1 4.45Å; I512-M674 HydrophobicContact CG2-CG 3.97Å; I512-M674 HydrophobicContact CG2-SD 3.83Å; I512-A685 HydrophobicContact CG2-CB 4.16Å; I512-R686 PolarHBondContact O-N 2.82Å; I512-R686 VanDerWaalsContact O-N 3.16Å
513	T	92.9	Very high	89.5	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.1	172.4	-56.9	0	0	0	0	109.4	V507 V672 L673 M674 H687 I689	V507-T513 HydrophobicContact CG2-CG2 4.47Å; T513-V672 PolarHBondContact N-O 3.46Å; T513-L673 HydrophobicContact CG2-CD1 4.33Å; T513-L673 WeakPolarHBondContact O-CA 3.42Å; T513-M674 PolarHBondContact O-N 3.4Å; T513-H687 CarbonylContact C-O 3.17Å; T513-H687 VanDerWaalsContact CA-O 3.29Å; T513-H687 WeakPolarHBondContact CA-O 3.37Å; T513-H687 HydrophobicContact CG2-CB 4.38Å; T513-I689 HydrophobicContact CG2-CD1 3.78Å; T513-I689 HydrophobicContact CG2-CG1 4Å
514	A	92.3	Very high	89.3	Confident	1 Å²	1	42 Å²	42	1%	0.008	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.3	174.1	0	0	0	0	0	110.7	V516 M674 A682 A685 H687 V688 I689	A514-V516 HydrophobicContact CB-CG1 4.38Å; A514-M674 CarbonylContact C-O 3.48Å; A514-M674 VanDerWaalsContact CA-O 3.28Å; A514-M674 WeakPolarHBondContact CA-O 3.39Å; A514-A682 HydrophobicContact CB-CB 4.42Å; A514-A685 HydrophobicContact CB-CB 3.46Å; A514-A685 VanDerWaalsContact CB-CB 3.46Å; A514-H687 PolarHBondContact N-O 3.31Å; A514-V688 HydrophobicContact CB-CG2 4.39Å; A514-V688 CarbonylContact O-C 3.56Å; A514-V688 WeakPolarHBondContact O-CA 3.43Å; A514-I689 PolarHBondContact O-N 3.42Å
515	L	92.3	Very high	89.2	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	107.8	171	179.6	65.6	0	0	0	108.9	L505 K523 C526 L673 M674 I675 I689 L691	L505-L515 HydrophobicContact CD2-CD1 4.48Å; L515-K523 HydrophobicContact CD2-CB 4.03Å; L515-K523 HydrophobicContact CD2-CG 4.21Å; L515-K523 HydrophobicContact CG-CB 4.35Å; L515-K523 HydrophobicContact CG-CD 4.4Å; L515-K523 HydrophobicContact CG-CG 4.04Å; L515-C526 HydrophobicContact CD2-CB 4.31Å; L515-L673 HydrophobicContact CB-CD1 4.01Å; L515-M674 PolarHBondContact N-O 3.33Å; L515-I675 HydrophobicContact CB-CG1 4.04Å; L515-I675 HydrophobicContact CD2-CD1 4.38Å; L515-I675 HydrophobicContact CD2-CG1 4.14Å; L515-I675 HydrophobicContact CG-CG1 4.48Å; L515-I675 WeakPolarHBondContact O-CA 3.32Å; L515-I689 WeakPolarHBondContact CA-O 3.12Å; L515-I689 HydrophobicContact CD1-CB 4Å; L515-I689 HydrophobicContact CD1-CG2 3.95Å; L515-L691 HydrophobicContact CD1-CB 4.05Å
516	V	90.2	Very high	89.1	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	159.8	-173.5	-63.8	0	0	0	0	111.8	A514 M679 A682 V688 I689 V690 L691 Y712	A514-V516 HydrophobicContact CB-CG1 4.38Å; V516-M679 HydrophobicContact CB-CE 4.18Å; V516-M679 HydrophobicContact CG1-CE 4.4Å; V516-A682 HydrophobicContact CG1-CB 3.82Å; V516-V688 HydrophobicContact CG2-CG1 3.69Å; V516-I689 PolarHBondContact N-O 3.15Å; V516-V690 HydrophobicContact CG2-CB 4.32Å; V516-V690 HydrophobicContact CG2-CG1 4.44Å; V516-V690 HydrophobicContact CG2-CG2 3.84Å; V516-L691 PolarHBondContact O-N 3Å; V516-Y712 HydrophobicContact CG2-CD2 4.09Å; V516-Y712 HydrophobicContact CG2-CE2 4.13Å
517	G	87.2	Confident	89.1	Confident	3 Å²	3	35.6 Å²	35.6	3%	0.031	19%	0.185	C	C	.	.			trans	156.6	174.3	175.7	0	0	0	0	0	112.9	K523 L691	G517-K523 PolarHBondContact O-NZ 3.48Å; G517-L691 WeakPolarHBondContact CA-O 3.41Å
518	L	81.8	Confident	89	Confident	98 Å²	98	38 Å²	38	51%	0.513	20%	0.195	S	C	.	.	S	Bend	trans	-65	162.9	179.4	-62.7	175.8	0	0	0	112.7	R520 S521 K523 M715	L518-R520 PolarHBondContact O-N 3.03Å; L518-S521 VanDerWaalsContact O-CB 3.29Å; L518-S521 WeakPolarHBondContact O-CB 3.34Å; L518-S521 PolarHBondContact O-N 3.42Å; L518-S521 PolarHBondContact O-OG 2.57Å; L518-K523 PolarHBondContact O-NZ 3.28Å; L518-M715 HydrophobicContact CD2-CE 4.15Å; L518-M715 HydrophobicContact CD2-SD 4.39Å; L518-M715 HydrophobicContact CG-CE 3.78Å
519	N	81.1	Confident	89.1	Confident	131 Å²	131	36.3 Å²	36.3	70%	0.701	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	141.4	172.4	-71.3	-17.7	0	0	0	110.2	S521	N519-S521 PolarHBondContact O-N 3.13Å
520	R	80.3	Confident	89.3	Confident	245 Å²	245	33.9 Å²	33.9	93%	0.925	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.2	15.3	-176.3	-51.9	178.6	176.6	-177.7	-1.3	116	L518 G522	L518-R520 PolarHBondContact O-N 3.03Å; R520-G522 PolarHBondContact O-N 3.13Å
521	S	85.2	Confident	89.6	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.014	16%	0.164	C	C	.	.	S	Bend	trans	-70.7	-11.8	175.3	66.6	0	0	0	0	115.2	L518 N519 K523 L691 G694	L518-S521 VanDerWaalsContact O-CB 3.29Å; L518-S521 WeakPolarHBondContact O-CB 3.34Å; L518-S521 PolarHBondContact O-N 3.42Å; L518-S521 PolarHBondContact O-OG 2.57Å; N519-S521 PolarHBondContact O-N 3.13Å; S521-K523 WeakPolarHBondContact OG-CG 3.5Å; S521-K523 PolarHBondContact OG-NZ 3.4Å; S521-K523 VanDerWaalsContact OG-NZ 3.12Å; S521-L691 WeakPolarHBondContact CB-O 3.38Å; S521-L691 WeakPolarHBondContact O-CD2 3.11Å; S521-L691 WeakPolarHBondContact O-CG 3.38Å; S521-L691 PolarHBondContact OG-O 3.27Å; S521-G694 WeakPolarHBondContact O-CA 3.46Å; S521-G694 PolarHBondContact O-N 3Å; S521-G694 VanDerWaalsContact O-N 3.11Å
522	G	87.9	Confident	89.8	Confident	4 Å²	4	33 Å²	33	4%	0.041	16%	0.157	C	C	.	.	S	Bend	trans	110.4	2.3	177.9	0	0	0	0	0	115.7	R520 T524 T525 C526	R520-G522 PolarHBondContact O-N 3.13Å; G522-T524 PolarHBondContact O-N 2.88Å; G522-T525 WeakPolarHBondContact O-CA 3.42Å; G522-T525 WeakPolarHBondContact O-CB 3.31Å; G522-T525 PolarHBondContact O-N 3.31Å; G522-C526 PolarHBondContact O-N 2.85Å; G522-C526 VanDerWaalsContact O-N 3.09Å
523	K	90.7	Very high	89.8	Confident	13 Å²	13	35 Å²	35	6%	0.057	17%	0.166	C	C	.	.	H	α-helix	trans	-56.7	-53.8	-174.7	-55.1	-179.1	-65.6	-76.6	0	113.9	L515 G517 L518 S521 T525 C526 V527 I675 L691	L515-K523 HydrophobicContact CD2-CB 4.03Å; L515-K523 HydrophobicContact CD2-CG 4.21Å; L515-K523 HydrophobicContact CG-CB 4.35Å; L515-K523 HydrophobicContact CG-CD 4.4Å; L515-K523 HydrophobicContact CG-CG 4.04Å; G517-K523 PolarHBondContact O-NZ 3.48Å; L518-K523 PolarHBondContact O-NZ 3.28Å; S521-K523 WeakPolarHBondContact OG-CG 3.5Å; S521-K523 PolarHBondContact OG-NZ 3.4Å; S521-K523 VanDerWaalsContact OG-NZ 3.12Å; K523-T525 PolarHBondContact O-N 2.74Å; K523-C526 WeakPolarHBondContact O-CB 3.46Å; K523-C526 PolarHBondContact O-N 2.79Å; K523-V527 PolarHBondContact O-N 3.39Å; K523-I675 HydrophobicContact CB-CG2 3.71Å; K523-I675 HydrophobicContact CD-CG2 3.98Å; K523-I675 HydrophobicContact CG-CG2 4.44Å; K523-L691 HydrophobicContact CG-CB 4.46Å; K523-L691 HydrophobicContact CG-CD2 4.01Å
524	T	90	Very high	89.8	Confident	61 Å²	61	36 Å²	36	37%	0.374	17%	0.169	S	C	.	.	H	α-helix	trans	-62.9	-28.4	176.8	-50.9	0	0	0	0	111.9	G522 V527 K528 D645	G522-T524 PolarHBondContact O-N 2.88Å; T524-V527 WeakPolarHBondContact O-CB 3.42Å; T524-V527 PolarHBondContact O-N 2.96Å; T524-K528 WeakPolarHBondContact O-CG 3.31Å; T524-K528 PolarHBondContact O-N 3.46Å; T524-D645 WeakPolarHBondContact CG2-OD2 3.44Å; T524-D645 PolarHBondContact OG1-OD2 3.42Å
525	T	92.6	Very high	89.6	Confident	9 Å²	9	38.4 Å²	38.4	6%	0.055	18%	0.18	C	C	.	.	H	α-helix	trans	-67.1	-37.4	174.1	-54	0	0	0	0	111.5	F487 Y489 V499 L500 G522 K523 V527 K528 L529	F487-T525 HydrophobicContact CD1-CG2 3.32Å; F487-T525 HydrophobicContact CE1-CG2 3.58Å; F487-T525 HydrophobicContact CG-CG2 4.34Å; Y489-T525 HydrophobicContact CE2-CG2 4.23Å; Y489-T525 PolarHBondContact OH-OG1 3.39Å; Y489-T525 VanDerWaalsContact OH-OG1 3.04Å; V499-T525 HydrophobicContact CG1-CG2 4.21Å; V499-T525 WeakPolarHBondContact CG1-OG1 3.48Å; L500-T525 HydrophobicContact CD1-CG2 4.04Å; L500-T525 HydrophobicContact CG-CG2 4.15Å; G522-T525 WeakPolarHBondContact O-CA 3.42Å; G522-T525 WeakPolarHBondContact O-CB 3.31Å; G522-T525 PolarHBondContact O-N 3.31Å; K523-T525 PolarHBondContact O-N 2.74Å; T525-V527 VanDerWaalsContact C-N 3.3Å; T525-V527 PolarHBondContact O-N 3.01Å; T525-K528 PolarHBondContact O-N 3.22Å; T525-L529 HydrophobicContact CG2-CD1 4.35Å; T525-L529 WeakPolarHBondContact O-CG 3.34Å; T525-L529 PolarHBondContact O-N 2.87Å
526	C	93.3	Very high	89.6	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.02	19%	0.188	C	C	.	.	H	α-helix	trans	-59.9	-40.8	173.1	-61.1	0	0	0	0	111.7	F482 L515 G522 K523 L529 L530	F482-C526 HydrophobicContact CE1-CB 4.24Å; F482-C526 HydrophobicContact CZ-CB 4.26Å; L515-C526 HydrophobicContact CD2-CB 4.31Å; G522-C526 PolarHBondContact O-N 2.85Å; G522-C526 VanDerWaalsContact O-N 3.09Å; K523-C526 WeakPolarHBondContact O-CB 3.46Å; K523-C526 PolarHBondContact O-N 2.79Å; C526-L529 PolarHBondContact O-N 3.04Å; C526-L530 WeakPolarHBondContact O-CB 3.32Å; C526-L530 PolarHBondContact O-N 3.29Å
527	V	93	Very high	89.6	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.024	20%	0.204	C	C	.	.	H	α-helix	trans	-62	-51.2	175.3	-175	0	0	0	0	111	K523 T524 T525 L529 L530 E531 V562 I643 I675	K523-V527 PolarHBondContact O-N 3.39Å; T524-V527 WeakPolarHBondContact O-CB 3.42Å; T524-V527 PolarHBondContact O-N 2.96Å; T525-V527 VanDerWaalsContact C-N 3.3Å; T525-V527 PolarHBondContact O-N 3.01Å; V527-L529 PolarHBondContact O-N 3.46Å; V527-L530 WeakPolarHBondContact O-CA 3.4Å; V527-L530 WeakPolarHBondContact O-CB 3.4Å; V527-L530 PolarHBondContact O-N 3.07Å; V527-E531 HydrophobicContact CG1-CG 4.37Å; V527-E531 PolarHBondContact O-N 2.99Å; V527-V562 HydrophobicContact CG1-CG1 3.77Å; V527-V562 HydrophobicContact CG1-CG2 4.28Å; V527-I643 HydrophobicContact CG1-CD1 4.14Å; V527-I643 HydrophobicContact CG1-CG2 3.99Å; V527-I643 HydrophobicContact CG2-CG2 3.8Å; V527-I675 HydrophobicContact CG2-CD1 3.02Å; V527-I675 HydrophobicContact CG2-CG1 4.5Å
528	K	92.9	Very high	89.8	Confident	52 Å²	52	45.1 Å²	45.1	23%	0.226	22%	0.218	C	C	.	.	H	α-helix	trans	-58.7	-34.9	-180	-73.3	-179.3	171.5	-162.7	0	112.7	D254 Y489 T524 T525 R532 F533 Y534	D254-K528 IonicContact OD2-NZ 3.55Å; Y489-K528 HydrophobicContact CE1-CD 4.37Å; Y489-K528 WeakPolarHBondContact OH-CD 3.48Å; T524-K528 WeakPolarHBondContact O-CG 3.31Å; T524-K528 PolarHBondContact O-N 3.46Å; T525-K528 PolarHBondContact O-N 3.22Å; K528-R532 PolarHBondContact O-N 3.47Å; K528-F533 HydrophobicContact CG-CD2 4.48Å; K528-F533 WeakPolarHBondContact O-CB 3.42Å; K528-F533 PolarHBondContact O-N 3.5Å; K528-Y534 HydrophobicContact CB-CD2 4.03Å; K528-Y534 HydrophobicContact CD-CD2 4.39Å; K528-Y534 HydrophobicContact CD-CE2 4.08Å
529	L	93.8	Very high	90.3	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-71.9	-39.8	174.1	-70.9	171.9	0	0	0	112.2	V485 F487 L500 T525 C526 V527 E531 R532 I541 L548	V485-L529 HydrophobicContact CG1-CD1 4.06Å; F487-L529 HydrophobicContact CB-CD1 4.07Å; F487-L529 HydrophobicContact CD2-CD2 3.79Å; F487-L529 HydrophobicContact CE2-CD2 4.04Å; F487-L529 HydrophobicContact CG-CD1 4.14Å; F487-L529 HydrophobicContact CG-CD2 4.13Å; L500-L529 HydrophobicContact CD1-CD1 3.48Å; L500-L529 VanDerWaalsContact CD1-CD1 3.48Å; T525-L529 HydrophobicContact CG2-CD1 4.35Å; T525-L529 WeakPolarHBondContact O-CG 3.34Å; T525-L529 PolarHBondContact O-N 2.87Å; C526-L529 PolarHBondContact O-N 3.04Å; V527-L529 PolarHBondContact O-N 3.46Å; L529-E531 VanDerWaalsContact C-N 3.33Å; L529-R532 WeakPolarHBondContact O-CA 3.32Å; L529-R532 PolarHBondContact O-N 3.4Å; L529-I541 HydrophobicContact CB-CD1 3.65Å; L529-L548 WeakPolarHBondContact O-CD2 3.49Å
530	L	93.6	Very high	91	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-67.2	-33.3	177.3	-173.2	55.5	0	0	0	112.5	V480 F482 C526 V527 R532 I541 L543 I560 I643	V480-L530 HydrophobicContact CG1-CD1 3.59Å; V480-L530 HydrophobicContact CG1-CD2 4.13Å; V480-L530 HydrophobicContact CG2-CD1 4.43Å; V480-L530 HydrophobicContact CG2-CD2 4.44Å; F482-L530 HydrophobicContact CZ-CB 4.32Å; C526-L530 WeakPolarHBondContact O-CB 3.32Å; C526-L530 PolarHBondContact O-N 3.29Å; V527-L530 WeakPolarHBondContact O-CA 3.4Å; V527-L530 WeakPolarHBondContact O-CB 3.4Å; V527-L530 PolarHBondContact O-N 3.07Å; L530-R532 PolarHBondContact O-N 3.47Å; L530-I541 HydrophobicContact CD1-CG2 4.2Å; L530-L543 HydrophobicContact CD1-CD2 3.98Å; L530-I560 HydrophobicContact CD1-CD1 4.28Å; L530-I560 HydrophobicContact CG-CD1 4.19Å; L530-I643 HydrophobicContact CD2-CD1 3.56Å; L530-I643 HydrophobicContact CG-CD1 4.23Å
531	E	92	Very high	91.7	Very high	35 Å²	35	28.5 Å²	28.5	16%	0.164	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-1.8	170.8	-68.8	-173.1	104.3	0	0	113.3	V527 L529 F533 H557 V562	V527-E531 HydrophobicContact CG1-CG 4.37Å; V527-E531 PolarHBondContact O-N 2.99Å; L529-E531 VanDerWaalsContact C-N 3.33Å; E531-F533 HydrophobicContact CB-CD1 4.15Å; E531-F533 HydrophobicContact CB-CD2 3.87Å; E531-F533 HydrophobicContact CB-CE1 4.1Å; E531-F533 HydrophobicContact CB-CE2 3.81Å; E531-F533 HydrophobicContact CB-CG 4.04Å; E531-F533 HydrophobicContact CB-CZ 3.92Å; E531-F533 HydrophobicContact CG-CE2 4.24Å; E531-F533 HydrophobicContact CG-CZ 4.42Å; E531-F533 PolarHBondContact O-N 2.98Å; E531-F533 WeakPolarHBondContact OE2-CE2 3.44Å; E531-H557 PolarHBondContact O-NE2 3.4Å; E531-V562 VanDerWaalsContact CD-CG2 3.41Å; E531-V562 HydrophobicContact CG-CG2 3.7Å; E531-V562 WeakPolarHBondContact OE1-CG2 3.31Å
532	R	91.8	Very high	92.2	Very high	15 Å²	15	28.7 Å²	28.7	6%	0.057	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	27.1	-175.9	-159.9	-167.3	164.7	159.1	3.8	113.1	P466 P467 K528 L529 L530 Y534 L548 Q549 Y551 D553 L556	P466-R532 PolarHBondContact O-NH2 3.32Å; P466-R532 VanDerWaalsContact O-NH2 3.11Å; P467-R532 PolarHBondContact O-NH2 3.25Å; K528-R532 PolarHBondContact O-N 3.47Å; L529-R532 WeakPolarHBondContact O-CA 3.32Å; L529-R532 PolarHBondContact O-N 3.4Å; L530-R532 PolarHBondContact O-N 3.47Å; R532-Y534 PolarHBondContact O-N 3.03Å; R532-L548 HydrophobicContact CB-CD2 4.24Å; R532-Q549 PolarHBondContact NH1-O 3.4Å; R532-Q549 VanDerWaalsContact NH1-O 3.09Å; R532-Y551 PolarHBondContact NH1-O 3.29Å; R532-Y551 VanDerWaalsContact NH1-O 3.12Å; R532-D553 VanDerWaalsContact CD-OD1 3.24Å; R532-D553 WeakPolarHBondContact CD-OD1 2.91Å; R532-D553 IonicContact CZ-OD1 3.5Å; R532-D553 IonicContact NE-OD1 2.75Å; R532-D553 PolarHBondContact NE-OD1 3.39Å; R532-D553 IonicContact NH1-OD1 2.87Å; R532-D553 PolarHBondContact NH1-OD1 2.99Å; R532-L556 HydrophobicContact CB-CD2 3.98Å
533	F	91.4	Very high	92.5	Very high	55 Å²	55	28.5 Å²	28.5	24%	0.241	15%	0.154	C	C	.	.	S	Bend	trans	-70.5	-23.5	170.8	-65.4	-22.4	0	0	0	112.2	I250 I465 K528 E531	I250-F533 HydrophobicContact CB-CB 3.97Å; I250-F533 HydrophobicContact CB-CG 4.34Å; I250-F533 HydrophobicContact CD1-CD1 4.46Å; I250-F533 HydrophobicContact CG1-CB 3.76Å; I250-F533 HydrophobicContact CG1-CD1 3.61Å; I250-F533 HydrophobicContact CG1-CD2 4.3Å; I250-F533 HydrophobicContact CG1-CE1 4.26Å; I250-F533 HydrophobicContact CG1-CG 3.64Å; I250-F533 HydrophobicContact CG2-CB 4.37Å; I465-F533 WeakPolarHBondContact CD1-O 3.41Å; K528-F533 HydrophobicContact CG-CD2 4.48Å; K528-F533 WeakPolarHBondContact O-CB 3.42Å; K528-F533 PolarHBondContact O-N 3.5Å; E531-F533 HydrophobicContact CB-CD1 4.15Å; E531-F533 HydrophobicContact CB-CD2 3.87Å; E531-F533 HydrophobicContact CB-CE1 4.1Å; E531-F533 HydrophobicContact CB-CE2 3.81Å; E531-F533 HydrophobicContact CB-CG 4.04Å; E531-F533 HydrophobicContact CB-CZ 3.92Å; E531-F533 HydrophobicContact CG-CE2 4.24Å; E531-F533 HydrophobicContact CG-CZ 4.42Å; E531-F533 PolarHBondContact O-N 2.98Å; E531-F533 WeakPolarHBondContact OE2-CE2 3.44Å
534	Y	91.8	Very high	92.6	Very high	20 Å²	20	30 Å²	30	8%	0.078	16%	0.162	C	C	.	.	S	Bend	trans	-136.8	160	176.2	-68.8	-89.5	0	0	0	110.1	I250 A251 D254 F487 Y489 K528 R532	I250-Y534 HydrophobicContact CB-CE2 4.5Å; I250-Y534 HydrophobicContact CG2-CE2 4.1Å; A251-Y534 HydrophobicContact CB-CD1 4.35Å; A251-Y534 HydrophobicContact CB-CE1 3.61Å; D254-Y534 PolarHBondContact OD2-OH 2.97Å; F487-Y534 HydrophobicContact CE2-CD1 4.09Å; F487-Y534 HydrophobicContact CE2-CG 4.17Å; F487-Y534 AromaticContact CZ-CD1 3.61Å; F487-Y534 HydrophobicContact CZ-CD1 3.61Å; F487-Y534 HydrophobicContact CZ-CE1 4.4Å; F487-Y534 AromaticContact CZ-CG 3.73Å; F487-Y534 HydrophobicContact CZ-CG 3.73Å; Y489-Y534 HydrophobicContact CD1-CD1 4.31Å; Y489-Y534 AromaticContact CD1-CE1 3.74Å; Y489-Y534 HydrophobicContact CD1-CE1 3.74Å; Y489-Y534 HydrophobicContact CD1-CE2 4.38Å; Y489-Y534 AromaticContact CD1-CZ 3.78Å; Y489-Y534 HydrophobicContact CE1-CD1 4.45Å; Y489-Y534 HydrophobicContact CE1-CD2 4.26Å; Y489-Y534 HydrophobicContact CE1-CE1 4.01Å; Y489-Y534 AromaticContact CE1-CE2 3.83Å; Y489-Y534 HydrophobicContact CE1-CE2 3.83Å; Y489-Y534 AromaticContact CE1-CZ 3.68Å; K528-Y534 HydrophobicContact CB-CD2 4.03Å; K528-Y534 HydrophobicContact CD-CD2 4.39Å; K528-Y534 HydrophobicContact CD-CE2 4.08Å; R532-Y534 PolarHBondContact O-N 3.03Å
535	Q	89.7	Confident	92.8	Very high	52 Å²	52	29.3 Å²	29.3	24%	0.243	17%	0.167	C	C	.	.			trans	-108.1	141.2	171.9	-67.9	-155.1	-27.5	0	0	111.5	I465 P466 F487	I465-Q535 HydrophobicContact CG2-CG 4.09Å; P466-Q535 VanDerWaalsContact CD-CD 3.47Å; P466-Q535 VanDerWaalsContact CD-NE2 3.31Å; F487-Q535 VanDerWaalsContact CD2-O 3.24Å; F487-Q535 WeakPolarHBondContact CD2-O 3.49Å; F487-Q535 WeakPolarHBondContact CE2-O 3.49Å
536	P	91.8	Very high	92.8	Very high	26 Å²	26	33.4 Å²	33.4	17%	0.169	18%	0.184	C	C	.	.			trans	-64.7	146.1	171.8	30.7	-35.4	0	0	0	110.3	V485	V485-P536 HydrophobicContact CG1-CB 3.82Å
537	Q	90.4	Very high	92.9	Very high	70 Å²	70	35.3 Å²	35.3	33%	0.327	20%	0.197	S	C	.	.	S	Bend	trans	-79	-29.7	176.4	-68.2	170.5	-48.1	0	0	111.9	R486 S488 G491 K492	R486-Q537 PolarHBondContact O-N 3.46Å; S488-Q537 VanDerWaalsContact N-OE1 3.13Å; S488-Q537 PolarHBondContact OG-NE2 2.88Å; S488-Q537 PolarHBondContact OG-OE1 3.17Å; G491-Q537 VanDerWaalsContact C-NE2 3.25Å; G491-Q537 PolarHBondContact O-NE2 3.27Å; G491-Q537 VanDerWaalsContact O-NE2 3.11Å; K492-Q537 PolarHBondContact O-NE2 3.42Å
538	S	91.1	Very high	92.8	Very high	49 Å²	49	35.6 Å²	35.6	34%	0.343	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	157.4	176	176	0	0	0	0	109.2	V485 R486	V485-S538 WeakPolarHBondContact CA-O 3.48Å; R486-S538 PolarHBondContact N-O 3.31Å; R486-S538 PolarHBondContact O-N 3.47Å
539	G	92.5	Very high	92.7	Very high	37 Å²	37	37 Å²	37	38%	0.381	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	80.7	-177.7	-172.1	0	0	0	0	0	112.3	K483 N484	K483-G539 WeakPolarHBondContact O-CA 3.33Å; N484-G539 WeakPolarHBondContact O-CA 3.48Å
540	E	94.5	Very high	92.7	Very high	81 Å²	81	41.1 Å²	41.1	38%	0.379	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151.7	-179.2	61.2	178.8	175.5	0	0	112	K483 L542	K483-E540 HydrophobicContact CB-CG 4.05Å; K483-E540 HydrophobicContact CD-CG 4.23Å; K483-E540 PolarHBondContact N-O 2.89Å; K483-E540 PolarHBondContact O-N 2.93Å; K483-E540 VanDerWaalsContact O-N 3.11Å; E540-L542 HydrophobicContact CG-CD2 4.12Å; E540-L542 HydrophobicContact CG-CG 4.31Å
541	I	95.9	Very high	92.6	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.041	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124.3	171.5	-58.2	171.2	0	0	0	106.7	Q481 F482 V485 L529 L530 L548	Q481-I541 CarbonylContact O-C 3.58Å; Q481-I541 WeakPolarHBondContact O-CA 3.37Å; F482-I541 HydrophobicContact CD1-CD1 4.02Å; F482-I541 HydrophobicContact CD1-CG1 3.88Å; F482-I541 HydrophobicContact CD2-CG2 4.28Å; F482-I541 HydrophobicContact CE1-CD1 3.54Å; F482-I541 HydrophobicContact CE1-CG1 3.91Å; F482-I541 HydrophobicContact CE2-CG2 4.07Å; F482-I541 HydrophobicContact CG-CG1 4.21Å; F482-I541 HydrophobicContact CZ-CD1 3.86Å; F482-I541 HydrophobicContact CZ-CG1 4.27Å; F482-I541 HydrophobicContact CZ-CG2 4.31Å; V485-I541 HydrophobicContact CG2-CG1 3.93Å; L529-I541 HydrophobicContact CB-CD1 3.65Å; L530-I541 HydrophobicContact CD1-CG2 4.2Å; I541-L548 HydrophobicContact CB-CB 4.29Å; I541-L548 HydrophobicContact CB-CD2 4.37Å; I541-L548 HydrophobicContact CG2-CB 4.4Å; I541-L548 HydrophobicContact CG2-CD2 4.23Å; I541-L548 WeakPolarHBondContact O-CB 3.37Å; I541-L548 PolarHBondContact O-N 3.17Å
542	L	95.6	Very high	92.7	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	137.8	-178.6	-53.7	178.7	0	0	0	110.2	V480 Q481 K483 E540 K546 P547	V480-L542 WeakPolarHBondContact CA-O 3.38Å; Q481-L542 HydrophobicContact CB-CB 4.31Å; Q481-L542 PolarHBondContact N-O 2.93Å; Q481-L542 PolarHBondContact O-N 2.95Å; K483-L542 HydrophobicContact CD-CD1 3.82Å; K483-L542 VanDerWaalsContact CE-CD1 3.43Å; E540-L542 HydrophobicContact CG-CD2 4.12Å; E540-L542 HydrophobicContact CG-CG 4.31Å; L542-K546 CarbonylContact C-O 3.51Å; L542-K546 VanDerWaalsContact CA-O 3.29Å; L542-K546 WeakPolarHBondContact CA-O 3.39Å; L542-P547 HydrophobicContact CD2-CB 4.3Å; L542-P547 HydrophobicContact CD2-CG 3.91Å
543	L	94.2	Very high	92.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121.8	166.9	-68.2	-178.4	0	0	0	108.9	F476 H479 V480 L530 G545 K546 L548 Y551 L556 I560 I641	F476-L543 HydrophobicContact CE2-CB 4.21Å; F476-L543 HydrophobicContact CE2-CD1 4.39Å; F476-L543 HydrophobicContact CZ-CD1 4.26Å; H479-L543 CarbonylContact O-C 3.54Å; H479-L543 WeakPolarHBondContact O-CA 3.48Å; V480-L543 HydrophobicContact CB-CD2 4.2Å; V480-L543 HydrophobicContact CG1-CD2 4.09Å; V480-L543 HydrophobicContact CG2-CD2 3.68Å; L530-L543 HydrophobicContact CD1-CD2 3.98Å; L543-G545 PolarHBondContact O-N 2.98Å; L543-K546 PolarHBondContact N-O 3.1Å; L543-K546 PolarHBondContact O-N 3.41Å; L543-L548 HydrophobicContact CD1-CD1 3.32Å; L543-L548 HydrophobicContact CG-CD1 3.83Å; L543-Y551 HydrophobicContact CB-CE2 3.74Å; L543-Y551 HydrophobicContact CD1-CD2 4.48Å; L543-Y551 HydrophobicContact CD1-CE2 4.44Å; L543-Y551 PolarHBondContact O-OH 3.33Å; L543-L556 HydrophobicContact CD1-CD1 3.33Å; L543-I560 HydrophobicContact CD1-CD1 4.25Å; L543-I641 HydrophobicContact CD2-CD1 3.86Å
544	D	93.6	Very high	92.5	Very high	44 Å²	44	49.2 Å²	49.2	24%	0.235	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	41.4	-174.6	-66.5	-19.8	0	0	0	112	F476 K477 G478 H479 K546	F476-D544 WeakPolarHBondContact CA-OD2 3.32Å; F476-D544 WeakPolarHBondContact CD2-OD2 3.28Å; K477-D544 PolarHBondContact N-OD2 2.96Å; G478-D544 PolarHBondContact N-OD1 3.49Å; G478-D544 VanDerWaalsContact N-OD1 3.09Å; G478-D544 PolarHBondContact N-OD2 3.36Å; H479-D544 VanDerWaalsContact CB-OD1 3.31Å; H479-D544 WeakPolarHBondContact CB-OD1 3.24Å; H479-D544 PolarHBondContact N-OD1 2.92Å; H479-D544 PolarHBondContact O-N 2.98Å; D544-K546 VanDerWaalsContact C-N 3.32Å; D544-K546 PolarHBondContact O-N 3.08Å
545	G	92.6	Very high	92.5	Very high	47 Å²	47	49.3 Å²	49.3	49%	0.485	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	1.6	-179.7	0	0	0	0	0	116.1	L543	L543-G545 PolarHBondContact O-N 2.98Å
546	K	94.1	Very high	92.7	Very high	95 Å²	95	47 Å²	47	41%	0.413	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	141.7	179	-64.9	179.1	-178.2	177.3	0	111.7	L471 L542 L543 D544 L548 Y551	L471-K546 HydrophobicContact CD1-CD 4.25Å; L471-K546 HydrophobicContact CD2-CB 4.43Å; L471-K546 HydrophobicContact CD2-CD 3.5Å; L471-K546 VanDerWaalsContact CD2-CD 3.5Å; L542-K546 CarbonylContact C-O 3.51Å; L542-K546 VanDerWaalsContact CA-O 3.29Å; L542-K546 WeakPolarHBondContact CA-O 3.39Å; L543-K546 PolarHBondContact N-O 3.1Å; L543-K546 PolarHBondContact O-N 3.41Å; D544-K546 VanDerWaalsContact C-N 3.32Å; D544-K546 PolarHBondContact O-N 3.08Å; K546-L548 PolarHBondContact O-N 3.29Å; K546-Y551 HydrophobicContact CB-CE2 3.92Å
547	P	94.1	Very high	92.7	Very high	43 Å²	43	48.6 Å²	48.6	28%	0.279	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	135.1	177.8	-27.4	34.5	0	0	0	113.5	L542 Q549 N550 Y551	L542-P547 HydrophobicContact CD2-CB 4.3Å; L542-P547 HydrophobicContact CD2-CG 3.91Å; P547-Q549 PolarHBondContact O-N 2.96Å; P547-Q549 VanDerWaalsContact O-N 3.14Å; P547-N550 WeakPolarHBondContact O-CB 3.43Å; P547-N550 PolarHBondContact O-N 3.41Å; P547-Y551 WeakPolarHBondContact O-CD2 3.36Å
548	L	92.2	Very high	92.7	Very high	9 Å²	9	50 Å²	50	5%	0.047	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-53.4	-36.3	-179.7	-175.4	66.3	0	0	0	112.5	L529 R532 I541 L543 K546 N550 Y551 L556	L529-L548 WeakPolarHBondContact O-CD2 3.49Å; R532-L548 HydrophobicContact CB-CD2 4.24Å; I541-L548 HydrophobicContact CB-CB 4.29Å; I541-L548 HydrophobicContact CB-CD2 4.37Å; I541-L548 HydrophobicContact CG2-CB 4.4Å; I541-L548 HydrophobicContact CG2-CD2 4.23Å; I541-L548 WeakPolarHBondContact O-CB 3.37Å; I541-L548 PolarHBondContact O-N 3.17Å; L543-L548 HydrophobicContact CD1-CD1 3.32Å; L543-L548 HydrophobicContact CG-CD1 3.83Å; K546-L548 PolarHBondContact O-N 3.29Å; L548-N550 PolarHBondContact O-N 3.25Å; L548-Y551 PolarHBondContact O-N 3Å; L548-L556 HydrophobicContact CD1-CD1 3.61Å; L548-L556 HydrophobicContact CD1-CD2 3.82Å; L548-L556 HydrophobicContact CD1-CG 4.39Å; L548-L556 HydrophobicContact CG-CD2 4.47Å
549	Q	90.4	Very high	92.7	Very high	83 Å²	83	49.8 Å²	49.8	39%	0.388	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-64.2	-24.7	-178	-55.9	-177.8	20.8	0	0	113.3	G469 R532 P547 Y551	G469-Q549 PolarHBondContact N-O 2.81Å; R532-Q549 PolarHBondContact NH1-O 3.4Å; R532-Q549 VanDerWaalsContact NH1-O 3.09Å; P547-Q549 PolarHBondContact O-N 2.96Å; P547-Q549 VanDerWaalsContact O-N 3.14Å; Q549-Y551 VanDerWaalsContact C-N 3.29Å; Q549-Y551 PolarHBondContact O-N 2.87Å
550	N	92.6	Very high	92.8	Very high	86 Å²	86	48.3 Å²	48.3	46%	0.46	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-77	-16.8	-178.3	-65.2	-10.7	0	0	0	112.8	G469 S470 L471 P547 L548	G469-N550 CarbonylContact C-O 3.57Å; G469-N550 VanDerWaalsContact CA-O 3.29Å; G469-N550 WeakPolarHBondContact CA-O 3.47Å; S470-N550 PolarHBondContact N-O 2.86Å; L471-N550 WeakPolarHBondContact CB-O 3.43Å; L471-N550 PolarHBondContact N-O 3.12Å; P547-N550 WeakPolarHBondContact O-CB 3.43Å; P547-N550 PolarHBondContact O-N 3.41Å; L548-N550 PolarHBondContact O-N 3.25Å
551	Y	92.8	Very high	92.8	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.008	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-77.7	149.2	179.1	-70.4	-96.6	0	0	0	111.7	G469 L471 P473 F476 R532 L543 K546 P547 L548 Q549 Y555	G469-Y551 PolarHBondContact N-O 3.4Å; G469-Y551 VanDerWaalsContact N-O 3.07Å; L471-Y551 HydrophobicContact CD2-CD1 3.76Å; L471-Y551 HydrophobicContact CD2-CD2 4.11Å; L471-Y551 HydrophobicContact CD2-CE1 3.43Å; L471-Y551 VanDerWaalsContact CD2-CE1 3.43Å; L471-Y551 HydrophobicContact CD2-CE2 3.8Å; L471-Y551 HydrophobicContact CD2-CG 4.1Å; L471-Y551 VanDerWaalsContact CD2-CZ 3.45Å; L471-Y551 HydrophobicContact CG-CD1 4.49Å; L471-Y551 HydrophobicContact CG-CE1 4.45Å; L471-Y551 WeakPolarHBondContact O-CA 3.45Å; P473-Y551 HydrophobicContact CG-CE1 3.98Å; F476-Y551 HydrophobicContact CD2-CE1 4.39Å; F476-Y551 HydrophobicContact CE2-CE1 4.15Å; R532-Y551 PolarHBondContact NH1-O 3.29Å; R532-Y551 VanDerWaalsContact NH1-O 3.12Å; L543-Y551 HydrophobicContact CB-CE2 3.74Å; L543-Y551 HydrophobicContact CD1-CD2 4.48Å; L543-Y551 HydrophobicContact CD1-CE2 4.44Å; L543-Y551 PolarHBondContact O-OH 3.33Å; K546-Y551 HydrophobicContact CB-CE2 3.92Å; P547-Y551 WeakPolarHBondContact O-CD2 3.36Å; L548-Y551 PolarHBondContact O-N 3Å; Q549-Y551 VanDerWaalsContact C-N 3.29Å; Q549-Y551 PolarHBondContact O-N 2.87Å; Y551-Y555 AromaticContact CD1-CD1 3.99Å; Y551-Y555 HydrophobicContact CD1-CD1 3.99Å; Y551-Y555 HydrophobicContact CD1-CE1 4Å; Y551-Y555 HydrophobicContact CE1-CE1 4.24Å
552	K	93	Very high	92.7	Very high	89 Å²	89	46.1 Å²	46.1	39%	0.387	24%	0.237	S	C	.	.			trans	-73.1	126.9	168.4	-176.1	-175.3	178.3	-165.2	0	109.1	G469 L471 Q554 Y555 L556	G469-K552 VanDerWaalsContact O-CA 3.23Å; G469-K552 WeakPolarHBondContact O-CA 3.42Å; G469-K552 WeakPolarHBondContact O-CB 3.46Å; G469-K552 PolarHBondContact O-N 3.49Å; L471-K552 PolarHBondContact O-N 3.28Å; K552-Q554 VanDerWaalsContact C-N 3.33Å; K552-Q554 PolarHBondContact O-N 3.3Å; K552-Y555 WeakPolarHBondContact O-CA 3.36Å; K552-Y555 WeakPolarHBondContact O-CB 3.08Å; K552-Y555 PolarHBondContact O-N 2.83Å; K552-L556 PolarHBondContact O-N 3.18Å
553	D	90.6	Very high	92.5	Very high	48 Å²	48	45.9 Å²	45.9	26%	0.257	24%	0.236	S	C	.	.	H	α-helix	trans	-59.1	-40.1	-173.9	-62.8	-11.8	0	0	0	113.3	P468 R532 Y555 L556 H557	P468-D553 HydrophobicContact CB-CB 4.35Å; R532-D553 VanDerWaalsContact CD-OD1 3.24Å; R532-D553 WeakPolarHBondContact CD-OD1 2.91Å; R532-D553 IonicContact CZ-OD1 3.5Å; R532-D553 IonicContact NE-OD1 2.75Å; R532-D553 PolarHBondContact NE-OD1 3.39Å; R532-D553 IonicContact NH1-OD1 2.87Å; R532-D553 PolarHBondContact NH1-OD1 2.99Å; D553-Y555 VanDerWaalsContact C-N 3.29Å; D553-Y555 PolarHBondContact O-N 2.96Å; D553-L556 WeakPolarHBondContact O-CB 3.44Å; D553-L556 PolarHBondContact O-N 2.94Å; D553-L556 VanDerWaalsContact O-N 3.17Å; D553-H557 PolarHBondContact O-N 3.32Å
554	Q	89.9	Confident	92.3	Very high	139 Å²	139	48.7 Å²	48.7	65%	0.65	26%	0.255	S	S	*	.	H	α-helix	trans	-58.2	-41.8	174.5	-72	177.1	-20.2	0	0	112.2	K552 E558	K552-Q554 VanDerWaalsContact C-N 3.33Å; K552-Q554 PolarHBondContact O-N 3.3Å; Q554-E558 WeakPolarHBondContact O-CB 3.43Å; Q554-E558 PolarHBondContact O-N 2.96Å; Q554-E558 VanDerWaalsContact O-N 3.13Å
555	Y	92	Very high	91.9	Very high	21 Å²	21	51.2 Å²	51.2	8%	0.082	27%	0.266	C	S	.	.	H	α-helix	trans	-68.7	-41.6	177.4	174.5	-89.1	0	0	0	110.6	A472 P473 F476 Y551 K552 D553 E558 K559	A472-Y555 HydrophobicContact CB-CD1 4.41Å; A472-Y555 HydrophobicContact CB-CD2 3.63Å; A472-Y555 HydrophobicContact CB-CE2 4.22Å; A472-Y555 HydrophobicContact CB-CG 3.75Å; P473-Y555 HydrophobicContact CG-CE1 4.29Å; P473-Y555 WeakPolarHBondContact O-CE2 3.29Å; P473-Y555 PolarHBondContact O-OH 3.17Å; F476-Y555 VanDerWaalsContact CB-OH 3.23Å; F476-Y555 WeakPolarHBondContact CB-OH 3.38Å; F476-Y555 HydrophobicContact CD2-CE1 4.33Å; Y551-Y555 AromaticContact CD1-CD1 3.99Å; Y551-Y555 HydrophobicContact CD1-CD1 3.99Å; Y551-Y555 HydrophobicContact CD1-CE1 4Å; Y551-Y555 HydrophobicContact CE1-CE1 4.24Å; K552-Y555 WeakPolarHBondContact O-CA 3.36Å; K552-Y555 WeakPolarHBondContact O-CB 3.08Å; K552-Y555 PolarHBondContact O-N 2.83Å; D553-Y555 VanDerWaalsContact C-N 3.29Å; D553-Y555 PolarHBondContact O-N 2.96Å; Y555-E558 WeakPolarHBondContact O-CB 3.37Å; Y555-E558 PolarHBondContact O-N 3.02Å; Y555-K559 HydrophobicContact CD1-CG 4.4Å; Y555-K559 HydrophobicContact CE1-CG 3.84Å; Y555-K559 HydrophobicContact CE2-CD 4.41Å; Y555-K559 VanDerWaalsContact CE2-CE 3.44Å; Y555-K559 HydrophobicContact CE2-CG 4.06Å; Y555-K559 WeakPolarHBondContact O-CG 3.32Å; Y555-K559 PolarHBondContact O-N 2.76Å; Y555-K559 VanDerWaalsContact O-N 3.09Å
556	L	92.5	Very high	91.3	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-57.4	-50.9	176.4	-177	68.3	0	0	0	111.6	R532 L543 L548 K552 D553 E558 K559 I560	R532-L556 HydrophobicContact CB-CD2 3.98Å; L543-L556 HydrophobicContact CD1-CD1 3.33Å; L548-L556 HydrophobicContact CD1-CD1 3.61Å; L548-L556 HydrophobicContact CD1-CD2 3.82Å; L548-L556 HydrophobicContact CD1-CG 4.39Å; L548-L556 HydrophobicContact CG-CD2 4.47Å; K552-L556 PolarHBondContact O-N 3.18Å; D553-L556 WeakPolarHBondContact O-CB 3.44Å; D553-L556 PolarHBondContact O-N 2.94Å; D553-L556 VanDerWaalsContact O-N 3.17Å; L556-E558 VanDerWaalsContact C-N 3.26Å; L556-E558 PolarHBondContact O-N 3.35Å; L556-K559 PolarHBondContact O-N 3.02Å; L556-I560 HydrophobicContact CD1-CD1 3.4Å; L556-I560 HydrophobicContact CD1-CG1 4.03Å; L556-I560 HydrophobicContact CG-CD1 4.05Å; L556-I560 WeakPolarHBondContact O-CB 3.45Å; L556-I560 WeakPolarHBondContact O-CG1 3.35Å; L556-I560 PolarHBondContact O-N 3.28Å
557	H	91.7	Very high	91	Very high	60 Å²	60	50.8 Å²	50.8	28%	0.278	26%	0.257	S	S	.	.	H	α-helix	trans	-76.8	-8.5	-178.7	-60.6	159	0	0	0	114.2	E531 D553 R637	E531-H557 PolarHBondContact O-NE2 3.4Å; D553-H557 PolarHBondContact O-N 3.32Å; H557-R637 PolarHBondContact O-NH1 3.1Å; H557-R637 VanDerWaalsContact O-NH1 3.12Å
558	E	90.6	Very high	90.7	Very high	99 Å²	99	52.2 Å²	52.2	46%	0.463	27%	0.265	S	S	.	.	H	α-helix	trans	-80.6	-41.4	166.1	-169	-162.3	129.3	0	0	110.8	Q554 Y555 L556	Q554-E558 WeakPolarHBondContact O-CB 3.43Å; Q554-E558 PolarHBondContact O-N 2.96Å; Q554-E558 VanDerWaalsContact O-N 3.13Å; Y555-E558 WeakPolarHBondContact O-CB 3.37Å; Y555-E558 PolarHBondContact O-N 3.02Å; L556-E558 VanDerWaalsContact C-N 3.26Å; L556-E558 PolarHBondContact O-N 3.35Å
559	K	92.4	Very high	90.8	Very high	45 Å²	45	51.9 Å²	51.9	20%	0.196	26%	0.263	C	S	.	.	H	α-helix	trans	-85.5	-25.8	-177.9	-58.8	-46	-179.5	-158.4	0	114	F476 Y555 L556 K640 I641	F476-K559 HydrophobicContact CD1-CB 4.02Å; F476-K559 HydrophobicContact CD1-CG 4.2Å; F476-K559 HydrophobicContact CE1-CB 3.88Å; F476-K559 HydrophobicContact CE1-CG 4.5Å; F476-K559 HydrophobicContact CG-CG 4.49Å; F476-K559 HydrophobicContact CZ-CB 4.48Å; Y555-K559 HydrophobicContact CD1-CG 4.4Å; Y555-K559 HydrophobicContact CE1-CG 3.84Å; Y555-K559 HydrophobicContact CE2-CD 4.41Å; Y555-K559 VanDerWaalsContact CE2-CE 3.44Å; Y555-K559 HydrophobicContact CE2-CG 4.06Å; Y555-K559 WeakPolarHBondContact O-CG 3.32Å; Y555-K559 PolarHBondContact O-N 2.76Å; Y555-K559 VanDerWaalsContact O-N 3.09Å; L556-K559 PolarHBondContact O-N 3.02Å; K559-K640 HydrophobicContact CD-CG 4.48Å; K559-K640 PolarHBondContact O-N 3.02Å; K559-I641 PolarHBondContact O-N 3.22Å
560	I	94	Very high	90.9	Very high	7 Å²	7	52 Å²	52	4%	0.036	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122.6	175.8	-52.4	-171	0	0	0	108.7	L530 L543 L556 V562 I641 I643	L530-I560 HydrophobicContact CD1-CD1 4.28Å; L530-I560 HydrophobicContact CG-CD1 4.19Å; L543-I560 HydrophobicContact CD1-CD1 4.25Å; L556-I560 HydrophobicContact CD1-CD1 3.4Å; L556-I560 HydrophobicContact CD1-CG1 4.03Å; L556-I560 HydrophobicContact CG-CD1 4.05Å; L556-I560 WeakPolarHBondContact O-CB 3.45Å; L556-I560 WeakPolarHBondContact O-CG1 3.35Å; L556-I560 PolarHBondContact O-N 3.28Å; I560-V562 HydrophobicContact CG2-CG2 4.14Å; I560-I641 WeakPolarHBondContact CA-O 3.45Å; I560-I641 HydrophobicContact CD1-CD1 4.07Å; I560-I641 HydrophobicContact CG1-CB 4.14Å; I560-I641 HydrophobicContact CG1-CD1 4Å; I560-I641 HydrophobicContact CG2-CB 4.43Å; I560-I641 HydrophobicContact CG2-CG2 4.37Å; I560-I643 HydrophobicContact CG2-CD1 3.93Å; I560-I643 HydrophobicContact CG2-CG1 4.36Å
561	A	93.8	Very high	90.9	Very high	4 Å²	4	50.9 Å²	50.9	3%	0.033	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.1	170.3	0	0	0	0	0	110.2	A634 P639 I641 L642 I643	A561-A634 HydrophobicContact CB-CB 3.88Å; A561-P639 HydrophobicContact CB-CB 3.64Å; A561-P639 HydrophobicContact CB-CG 3.78Å; A561-I641 PolarHBondContact N-O 3.09Å; A561-L642 HydrophobicContact CB-CD1 4.13Å; A561-L642 WeakPolarHBondContact O-CA 3.43Å; A561-I643 PolarHBondContact O-N 3.03Å
562	V	93.4	Very high	91	Very high	38 Å²	38	56.6 Å²	56.6	23%	0.23	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.6	-178.9	-175.9	0	0	0	0	109.6	V527 E531 I560 I643	V527-V562 HydrophobicContact CG1-CG1 3.77Å; V527-V562 HydrophobicContact CG1-CG2 4.28Å; E531-V562 VanDerWaalsContact CD-CG2 3.41Å; E531-V562 HydrophobicContact CG-CG2 3.7Å; E531-V562 WeakPolarHBondContact OE1-CG2 3.31Å; I560-V562 HydrophobicContact CG2-CG2 4.14Å; V562-I643 WeakPolarHBondContact CA-O 3.24Å; V562-I643 HydrophobicContact CB-CB 4.44Å; V562-I643 HydrophobicContact CG1-CB 4.26Å; V562-I643 HydrophobicContact CG1-CG2 4.46Å; V562-I643 HydrophobicContact CG2-CB 4Å; V562-I643 HydrophobicContact CG2-CD1 3.84Å; V562-I643 HydrophobicContact CG2-CG1 4.2Å
563	V	93.1	Very high	91.1	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	106	167.1	-169.8	0	0	0	0	107.2	A630 I631 A634 I643 L644 D645 A647	V563-A630 HydrophobicContact CG1-CB 3.92Å; V563-I631 HydrophobicContact CG1-CG1 4.06Å; V563-I631 HydrophobicContact CG2-CG1 4.22Å; V563-A634 HydrophobicContact CG2-CB 3.59Å; V563-I643 PolarHBondContact N-O 3.29Å; V563-L644 HydrophobicContact CB-CD2 3.76Å; V563-L644 HydrophobicContact CG2-CD2 3.6Å; V563-D645 PolarHBondContact O-N 3.1Å; V563-A647 HydrophobicContact CB-CB 3.82Å; V563-A647 HydrophobicContact CG1-CB 3.45Å; V563-A647 VanDerWaalsContact CG1-CB 3.45Å
564	S	88.9	Confident	91.4	Very high	58 Å²	58	51 Å²	51	41%	0.406	26%	0.262	S	S	.	.			trans	-78.5	159.1	-178.9	60.9	0	0	0	0	112.1	D566 C567	S564-D566 VanDerWaalsContact C-N 3.33Å; S564-D566 PolarHBondContact O-N 3.02Å; S564-C567 PolarHBondContact O-N 3.02Å; S564-C567 PolarHBondContact O-SG 3.32Å
565	Q	85	Confident	91.6	Very high	98 Å²	98	46.9 Å²	46.9	46%	0.458	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-44.4	-179.7	-178.8	175.2	-18.5	0	0	113.2	C567 D645 N646	Q565-C567 VanDerWaalsContact C-N 3.31Å; Q565-C567 PolarHBondContact O-N 2.93Å; Q565-D645 WeakPolarHBondContact CA-O 3.42Å; Q565-D645 PolarHBondContact N-O 2.93Å; Q565-D645 VanDerWaalsContact N-O 3.11Å; Q565-N646 HydrophobicContact CB-CB 4.39Å; Q565-N646 HydrophobicContact CG-CB 4.09Å; Q565-N646 PolarHBondContact OE1-ND2 3.29Å
566	D	80.3	Confident	91.8	Very high	130 Å²	130	50.6 Å²	50.6	70%	0.695	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-14	-174.8	-62.9	-31.4	0	0	0	113.8	S564 V568	S564-D566 VanDerWaalsContact C-N 3.33Å; S564-D566 PolarHBondContact O-N 3.02Å; D566-V568 VanDerWaalsContact C-N 3.3Å; D566-V568 HydrophobicContact CB-CG2 4.09Å; D566-V568 PolarHBondContact O-N 3.03Å; D566-V568 VanDerWaalsContact O-N 3.12Å
567	C	87	Confident	91.9	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.014	26%	0.258	C	S	.	.			trans	44.5	47.2	175.7	-75	0	0	0	0	114.8	S564 Q565 L569 K626 Q627 A630	S564-C567 PolarHBondContact O-N 3.02Å; S564-C567 PolarHBondContact O-SG 3.32Å; Q565-C567 VanDerWaalsContact C-N 3.31Å; Q565-C567 PolarHBondContact O-N 2.93Å; C567-L569 PolarHBondContact O-N 3.21Å; C567-K626 HydrophobicContact CB-CB 4.24Å; C567-Q627 HydrophobicContact CB-CG 4.27Å; C567-A630 HydrophobicContact CB-CB 3.9Å
568	V	89.4	Confident	92.1	Very high	73 Å²	73	47.7 Å²	47.7	44%	0.442	25%	0.245	S	C	.	.			trans	-64.3	132.7	-175.4	-173.8	0	0	0	0	111.4	D566 K617 R633	D566-V568 VanDerWaalsContact C-N 3.3Å; D566-V568 HydrophobicContact CB-CG2 4.09Å; D566-V568 PolarHBondContact O-N 3.03Å; D566-V568 VanDerWaalsContact O-N 3.12Å; V568-K617 HydrophobicContact CG1-CB 4.23Å; V568-K617 HydrophobicContact CG1-CG 4.1Å; V568-R633 PolarHBondContact O-NH1 3.28Å; V568-R633 PolarHBondContact O-NH2 3.43Å
569	L	93.1	Very high	92.3	Very high	3 Å²	3	45 Å²	45	2%	0.016	23%	0.232	C	C	.	.			trans	-109.2	150.9	173.6	-57.9	-177	0	0	0	110.4	C567 N577 A614 K617 V621 K626 I629	C567-L569 PolarHBondContact O-N 3.21Å; L569-N577 WeakPolarHBondContact CA-OD1 3.39Å; L569-N577 WeakPolarHBondContact CB-OD1 3.4Å; L569-N577 HydrophobicContact CD2-CB 4.43Å; L569-A614 HydrophobicContact CB-CB 4.26Å; L569-A614 HydrophobicContact CD1-CB 4.08Å; L569-K617 CarbonylContact O-C 3.56Å; L569-K617 VanDerWaalsContact O-CA 3.25Å; L569-K617 WeakPolarHBondContact O-CA 3.4Å; L569-V621 HydrophobicContact CD1-CG2 3.96Å; L569-K626 HydrophobicContact CD1-CB 4.47Å; L569-K626 HydrophobicContact CD1-CG 4.17Å; L569-I629 HydrophobicContact CD1-CB 4.25Å; L569-I629 HydrophobicContact CD1-CD1 3.96Å; L569-I629 HydrophobicContact CD1-CG2 4Å; L569-I629 HydrophobicContact CD2-CB 4.28Å; L569-I629 HydrophobicContact CD2-CG2 3.66Å
570	F	92.9	Very high	92.4	Very high	85 Å²	85	47.2 Å²	47.2	37%	0.373	24%	0.24	S	C	.	.			trans	-80.9	150.2	171.9	-64.2	-79.2	0	0	0	110.4	R572 N577 Y580	F570-R572 HydrophobicContact CB-CB 4.44Å; F570-R572 HydrophobicContact CB-CG 4.11Å; F570-R572 PolarHBondContact O-N 3.27Å; F570-N577 PolarHBondContact N-OD1 3.48Å; F570-N577 PolarHBondContact O-ND2 3.16Å; F570-Y580 AromaticContact CD2-CD2 3.95Å; F570-Y580 HydrophobicContact CD2-CD2 3.95Å; F570-Y580 AromaticContact CD2-CE2 3.89Å; F570-Y580 HydrophobicContact CD2-CE2 3.89Å; F570-Y580 HydrophobicContact CD2-CG 4.4Å; F570-Y580 HydrophobicContact CE2-CD1 4.05Å; F570-Y580 AromaticContact CE2-CD2 3.81Å; F570-Y580 HydrophobicContact CE2-CD2 3.81Å; F570-Y580 AromaticContact CE2-CE1 3.73Å; F570-Y580 HydrophobicContact CE2-CE1 3.73Å; F570-Y580 AromaticContact CE2-CE2 3.46Å; F570-Y580 HydrophobicContact CE2-CE2 3.46Å; F570-Y580 VanDerWaalsContact CE2-CE2 3.46Å; F570-Y580 HydrophobicContact CE2-CG 4.08Å; F570-Y580 AromaticContact CE2-CZ 3.42Å; F570-Y580 VanDerWaalsContact CE2-CZ 3.42Å; F570-Y580 HydrophobicContact CZ-CE1 4.16Å; F570-Y580 AromaticContact CZ-CE2 3.95Å; F570-Y580 HydrophobicContact CZ-CE2 3.95Å; F570-Y580 AromaticContact CZ-CZ 3.64Å
571	A	93.3	Very high	92	Very high	62 Å²	62	49.8 Å²	49.8	51%	0.512	27%	0.268	S	S	.	.	S	Bend	trans	-70.4	75.7	171.7	0	0	0	0	0	110.2	G615	A571-G615 WeakPolarHBondContact CA-O 3.41Å
572	R	94.4	Very high	91.7	Very high	123 Å²	123	50.9 Å²	50.9	46%	0.464	28%	0.275	S	S	.	.	S	Bend	trans	-154.6	170.3	-172.3	-66.3	-169.8	-172	-179.9	1.6	107.9	F570 E576 N577 D613 A614	F570-R572 HydrophobicContact CB-CB 4.44Å; F570-R572 HydrophobicContact CB-CG 4.11Å; F570-R572 PolarHBondContact O-N 3.27Å; R572-E576 HydrophobicContact CB-CB 4.07Å; R572-E576 WeakPolarHBondContact CB-OE2 3.33Å; R572-N577 PolarHBondContact O-ND2 2.99Å; R572-D613 PolarHBondContact N-OD1 3.07Å; R572-A614 PolarHBondContact O-N 3.43Å
573	S	95.3	Very high	90.9	Very high	18 Å²	18	58.6 Å²	58.6	13%	0.126	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-58.6	154.2	175.8	63.2	0	0	0	0	112.4	R575 E576 N577 T612	S573-R575 PolarHBondContact O-N 3.17Å; S573-E576 WeakPolarHBondContact CB-OE2 3.35Å; S573-E576 PolarHBondContact N-OE2 3.34Å; S573-E576 PolarHBondContact O-N 2.89Å; S573-E576 WeakPolarHBondContact OG-CB 3.4Å; S573-E576 VanDerWaalsContact OG-CD 3.24Å; S573-E576 WeakPolarHBondContact OG-CG 3.45Å; S573-E576 PolarHBondContact OG-N 3.35Å; S573-E576 VanDerWaalsContact OG-N 3.13Å; S573-E576 PolarHBondContact OG-OE2 3.44Å; S573-N577 PolarHBondContact O-N 2.87Å; S573-N577 PolarHBondContact O-ND2 3.42Å; S573-T612 CarbonylContact C-O 3.44Å; S573-T612 VanDerWaalsContact CA-O 3.3Å; S573-T612 WeakPolarHBondContact CA-O 3.23Å
574	V	95.8	Very high	90.4	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.006	35%	0.349	C	S	.	.	H	α-helix	trans	-57.2	-39	172.7	173.9	0	0	0	0	110.5	N577 I578 I603 L606 Y610 T612 I629	V574-N577 PolarHBondContact O-N 2.97Å; V574-I578 HydrophobicContact CG1-CD1 3.9Å; V574-I578 HydrophobicContact CG1-CG1 4.38Å; V574-I578 WeakPolarHBondContact O-CG1 3.3Å; V574-I578 PolarHBondContact O-N 3.06Å; V574-I603 HydrophobicContact CG1-CD1 3.77Å; V574-I603 HydrophobicContact CG1-CG1 4.06Å; V574-I603 HydrophobicContact CG1-CG2 4.08Å; V574-L606 HydrophobicContact CG2-CD1 4.33Å; V574-Y610 HydrophobicContact CG1-CD1 4.45Å; V574-Y610 PolarHBondContact N-O 3.48Å; V574-T612 PolarHBondContact N-O 2.78Å; V574-I629 HydrophobicContact CG1-CD1 4.12Å; V574-I629 HydrophobicContact CG1-CG1 4.2Å; V574-I629 HydrophobicContact CG2-CD1 4.2Å
575	R	95.7	Very high	90.4	Very high	52 Å²	52	60.6 Å²	60.6	20%	0.196	34%	0.337	C	S	.	.	H	α-helix	trans	-52.9	-54.3	172.7	-178.1	-175.2	-62.5	-88.6	7.2	112.3	S573 N577 I578 K579 D587 M590 Y610 D611	S573-R575 PolarHBondContact O-N 3.17Å; R575-N577 VanDerWaalsContact C-N 3.29Å; R575-N577 PolarHBondContact O-N 3.35Å; R575-I578 PolarHBondContact O-N 2.81Å; R575-K579 PolarHBondContact O-N 3.47Å; R575-D587 IonicContact CZ-OD2 2.95Å; R575-D587 IonicContact NH1-OD1 2.83Å; R575-D587 PolarHBondContact NH1-OD1 3.11Å; R575-D587 IonicContact NH1-OD2 3.95Å; R575-D587 PolarHBondContact NH1-OD2 3.15Å; R575-M590 HydrophobicContact CB-SD 4.14Å; R575-M590 HydrophobicContact CG-SD 3.73Å; R575-Y610 WeakPolarHBondContact CB-O 3.32Å; R575-Y610 PolarHBondContact N-O 3.37Å; R575-D611 IonicContact CZ-OD1 3.69Å; R575-D611 IonicContact NE-OD1 3.99Å; R575-D611 PolarHBondContact NE-OD1 3.05Å; R575-D611 IonicContact NH2-OD1 3.05Å; R575-D611 PolarHBondContact NH2-OD1 3.5Å; R575-D611 IonicContact NH2-OD2 2.81Å
576	E	95.1	Very high	90.9	Very high	100 Å²	100	58.3 Å²	58.3	47%	0.467	33%	0.332	S	S	.	.	H	α-helix	trans	-66.4	-32.2	-179.2	-72.7	165.5	134	0	0	112.3	R572 S573 Y580	R572-E576 HydrophobicContact CB-CB 4.07Å; R572-E576 WeakPolarHBondContact CB-OE2 3.33Å; S573-E576 WeakPolarHBondContact CB-OE2 3.35Å; S573-E576 PolarHBondContact N-OE2 3.34Å; S573-E576 PolarHBondContact O-N 2.89Å; S573-E576 WeakPolarHBondContact OG-CB 3.4Å; S573-E576 VanDerWaalsContact OG-CD 3.24Å; S573-E576 WeakPolarHBondContact OG-CG 3.45Å; S573-E576 PolarHBondContact OG-N 3.35Å; S573-E576 VanDerWaalsContact OG-N 3.13Å; S573-E576 PolarHBondContact OG-OE2 3.44Å; E576-Y580 PolarHBondContact O-N 2.91Å
577	N	95.4	Very high	91.5	Very high	1 Å²	1	55 Å²	55	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-66.2	-46.8	173.2	-86.5	-80.5	0	0	0	111.6	L569 F570 R572 S573 V574 R575 Y580 I629 R633	L569-N577 WeakPolarHBondContact CA-OD1 3.39Å; L569-N577 WeakPolarHBondContact CB-OD1 3.4Å; L569-N577 HydrophobicContact CD2-CB 4.43Å; F570-N577 PolarHBondContact N-OD1 3.48Å; F570-N577 PolarHBondContact O-ND2 3.16Å; R572-N577 PolarHBondContact O-ND2 2.99Å; S573-N577 PolarHBondContact O-N 2.87Å; S573-N577 PolarHBondContact O-ND2 3.42Å; V574-N577 PolarHBondContact O-N 2.97Å; R575-N577 VanDerWaalsContact C-N 3.29Å; R575-N577 PolarHBondContact O-N 3.35Å; N577-Y580 VanDerWaalsContact O-CB 3.26Å; N577-Y580 WeakPolarHBondContact O-CB 3.49Å; N577-Y580 PolarHBondContact O-N 3.47Å; N577-I629 HydrophobicContact CB-CG2 4.26Å; N577-R633 VanDerWaalsContact O-CD 3.22Å; N577-R633 WeakPolarHBondContact O-CD 3.08Å; N577-R633 WeakPolarHBondContact O-CG 3.33Å
578	I	95.8	Very high	91.9	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-64.3	-44.9	178.4	-64.4	170.6	0	0	0	110.2	V574 R575 Y580 M590 A594 I603 Y610 I629 A632 I636	V574-I578 HydrophobicContact CG1-CD1 3.9Å; V574-I578 HydrophobicContact CG1-CG1 4.38Å; V574-I578 WeakPolarHBondContact O-CG1 3.3Å; V574-I578 PolarHBondContact O-N 3.06Å; R575-I578 PolarHBondContact O-N 2.81Å; I578-Y580 PolarHBondContact O-N 3.47Å; I578-M590 HydrophobicContact CB-CG 4.1Å; I578-M590 HydrophobicContact CD1-CG 4.26Å; I578-M590 HydrophobicContact CG2-CB 4.49Å; I578-M590 HydrophobicContact CG2-CG 3.7Å; I578-A594 HydrophobicContact CD1-CB 4.42Å; I578-I603 HydrophobicContact CD1-CD1 4.03Å; I578-Y610 HydrophobicContact CD1-CD1 4.26Å; I578-Y610 HydrophobicContact CD1-CE1 3.87Å; I578-I629 HydrophobicContact CG1-CG2 4.08Å; I578-A632 HydrophobicContact CD1-CB 4.24Å; I578-A632 HydrophobicContact CG1-CB 4.18Å; I578-A632 HydrophobicContact CG2-CB 4.21Å; I578-I636 HydrophobicContact CG2-CD1 4.17Å; I578-I636 WeakPolarHBondContact O-CG2 3.38Å
579	K	95.1	Very high	92.1	Very high	42 Å²	42	58.8 Å²	58.8	18%	0.183	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	10.4	-179.4	-64.2	-169.3	177.5	-165	0	114.8	R575 G581 C582 A585 D587 M590 I636	R575-K579 PolarHBondContact O-N 3.47Å; K579-G581 PolarHBondContact O-N 3.12Å; K579-G581 VanDerWaalsContact O-N 3.13Å; K579-C582 PolarHBondContact O-N 3.2Å; K579-A585 WeakPolarHBondContact CE-O 3.44Å; K579-A585 PolarHBondContact NZ-O 3.04Å; K579-D587 WeakPolarHBondContact CE-OD1 3.46Å; K579-D587 IonicContact NZ-OD1 3.28Å; K579-D587 PolarHBondContact NZ-OD1 3.33Å; K579-M590 HydrophobicContact CG-CB 4.44Å; K579-M590 HydrophobicContact CG-CG 4.48Å; K579-M590 HydrophobicContact CG-SD 4.46Å; K579-I636 HydrophobicContact CG-CD1 4.03Å
580	Y	93.9	Very high	92.3	Very high	93 Å²	93	58.6 Å²	58.6	37%	0.365	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	116.7	-172.7	-173.9	-99.1	0	0	0	112.8	F570 E576 N577 I578 C582 R637	F570-Y580 AromaticContact CD2-CD2 3.95Å; F570-Y580 HydrophobicContact CD2-CD2 3.95Å; F570-Y580 AromaticContact CD2-CE2 3.89Å; F570-Y580 HydrophobicContact CD2-CE2 3.89Å; F570-Y580 HydrophobicContact CD2-CG 4.4Å; F570-Y580 HydrophobicContact CE2-CD1 4.05Å; F570-Y580 AromaticContact CE2-CD2 3.81Å; F570-Y580 HydrophobicContact CE2-CD2 3.81Å; F570-Y580 AromaticContact CE2-CE1 3.73Å; F570-Y580 HydrophobicContact CE2-CE1 3.73Å; F570-Y580 AromaticContact CE2-CE2 3.46Å; F570-Y580 HydrophobicContact CE2-CE2 3.46Å; F570-Y580 VanDerWaalsContact CE2-CE2 3.46Å; F570-Y580 HydrophobicContact CE2-CG 4.08Å; F570-Y580 AromaticContact CE2-CZ 3.42Å; F570-Y580 VanDerWaalsContact CE2-CZ 3.42Å; F570-Y580 HydrophobicContact CZ-CE1 4.16Å; F570-Y580 AromaticContact CZ-CE2 3.95Å; F570-Y580 HydrophobicContact CZ-CE2 3.95Å; F570-Y580 AromaticContact CZ-CZ 3.64Å; E576-Y580 PolarHBondContact O-N 2.91Å; N577-Y580 VanDerWaalsContact O-CB 3.26Å; N577-Y580 WeakPolarHBondContact O-CB 3.49Å; N577-Y580 PolarHBondContact O-N 3.47Å; I578-Y580 PolarHBondContact O-N 3.47Å; Y580-C582 VanDerWaalsContact C-N 3.35Å; Y580-R637 PolarHBondContact O-NH2 3.48Å
581	G	85.5	Confident	92.4	Very high	60 Å²	60	57.5 Å²	57.5	62%	0.619	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	12.8	-176.4	0	0	0	0	0	114.5	K579	K579-G581 PolarHBondContact O-N 3.12Å; K579-G581 VanDerWaalsContact O-N 3.13Å
582	C	88.1	Confident	92.4	Very high	28 Å²	28	60.7 Å²	60.7	19%	0.189	32%	0.319	C	S	.	.			trans	-132	60.8	178	-64.1	0	0	0	0	111	K579 Y580 G584 A585	K579-C582 PolarHBondContact O-N 3.2Å; Y580-C582 VanDerWaalsContact C-N 3.35Å; C582-G584 PolarHBondContact O-N 2.89Å; C582-G584 VanDerWaalsContact O-N 3.12Å; C582-A585 HydrophobicContact CB-CB 4.07Å; C582-A585 WeakPolarHBondContact O-CB 3.27Å; C582-A585 PolarHBondContact O-N 3.33Å
583	E	75.9	Confident	92.4	Very high	199 Å²	199	55 Å²	55	93%	0.93	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.9	-173.2	-64.8	-177.2	175	0	0	113.8
584	G	81.9	Confident	92.4	Very high	83 Å²	83	54.1 Å²	54.1	86%	0.856	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-0.4	176.3	0	0	0	0	0	115.7	C582	C582-G584 PolarHBondContact O-N 2.89Å; C582-G584 VanDerWaalsContact O-N 3.12Å
585	A	90.6	Very high	92.3	Very high	19 Å²	19	59.4 Å²	59.4	16%	0.157	32%	0.317	C	S	.	.			trans	-74.4	131.2	-175.3	0	0	0	0	0	112.2	K579 C582 I636	K579-A585 WeakPolarHBondContact CE-O 3.44Å; K579-A585 PolarHBondContact NZ-O 3.04Å; C582-A585 HydrophobicContact CB-CB 4.07Å; C582-A585 WeakPolarHBondContact O-CB 3.27Å; C582-A585 PolarHBondContact O-N 3.33Å; A585-I636 HydrophobicContact CB-CD1 3.79Å; A585-I636 HydrophobicContact CB-CG1 4.21Å
586	S	94.1	Very high	92.1	Very high	50 Å²	50	61.3 Å²	61.3	35%	0.35	33%	0.328	S	S	.	.			trans	-66.9	158.8	176.3	70.2	0	0	0	0	111.7	E588 D589 M590	S586-E588 PolarHBondContact O-N 2.76Å; S586-D589 PolarHBondContact N-OD2 2.88Å; S586-D589 PolarHBondContact O-N 3.34Å; S586-D589 VanDerWaalsContact OG-CG 3.26Å; S586-D589 PolarHBondContact OG-N 2.81Å; S586-D589 PolarHBondContact OG-OD2 3.18Å; S586-M590 PolarHBondContact O-N 2.84Å
587	D	93.8	Very high	92	Very high	61 Å²	61	56.5 Å²	56.5	33%	0.326	31%	0.306	S	S	.	.	H	α-helix	trans	-61.8	-32.5	171.2	-79.4	-0.3	0	0	0	111.7	R575 K579 M590 Y591	R575-D587 IonicContact CZ-OD2 2.95Å; R575-D587 IonicContact NH1-OD1 2.83Å; R575-D587 PolarHBondContact NH1-OD1 3.11Å; R575-D587 IonicContact NH1-OD2 3.95Å; R575-D587 PolarHBondContact NH1-OD2 3.15Å; K579-D587 WeakPolarHBondContact CE-OD1 3.46Å; K579-D587 IonicContact NZ-OD1 3.28Å; K579-D587 PolarHBondContact NZ-OD1 3.33Å; D587-M590 CarbonylContact O-C 3.51Å; D587-M590 WeakPolarHBondContact O-CA 3.42Å; D587-M590 WeakPolarHBondContact O-CB 3.37Å; D587-M590 PolarHBondContact O-N 2.89Å; D587-M590 VanDerWaalsContact O-N 3.14Å; D587-Y591 HydrophobicContact CB-CE2 3.97Å; D587-Y591 WeakPolarHBondContact O-CD2 3.36Å; D587-Y591 PolarHBondContact O-N 3.3Å
588	E	94.9	Very high	91.8	Very high	122 Å²	122	57.2 Å²	57.2	57%	0.57	31%	0.31	S	S	*	.	H	α-helix	trans	-65.8	-38.7	175.6	-64.1	-57.6	157.4	0	0	113.1	S586 M590 Y591 R592	S586-E588 PolarHBondContact O-N 2.76Å; E588-M590 VanDerWaalsContact C-N 3.27Å; E588-M590 PolarHBondContact O-N 3.48Å; E588-Y591 PolarHBondContact O-N 2.65Å; E588-R592 WeakPolarHBondContact O-CB 3.43Å; E588-R592 VanDerWaalsContact O-CG 3.31Å; E588-R592 WeakPolarHBondContact O-CG 3.18Å; E588-R592 PolarHBondContact O-N 3.49Å; E588-R592 PolarHBondContact O-NE 3.48Å
589	D	94.4	Very high	91.8	Very high	32 Å²	32	57.2 Å²	57.2	17%	0.171	31%	0.31	C	S	.	.	H	α-helix	trans	-62.3	-38.7	171.6	-69.8	-58	0	0	0	111.3	S586 R592 A593 I636 K638	S586-D589 PolarHBondContact N-OD2 2.88Å; S586-D589 PolarHBondContact O-N 3.34Å; S586-D589 VanDerWaalsContact OG-CG 3.26Å; S586-D589 PolarHBondContact OG-N 2.81Å; S586-D589 PolarHBondContact OG-OD2 3.18Å; D589-R592 IonicContact OD1-CZ 3.65Å; D589-R592 IonicContact OD1-NH2 2.67Å; D589-R592 PolarHBondContact OD1-NH2 2.98Å; D589-A593 WeakPolarHBondContact O-CB 3.41Å; D589-A593 PolarHBondContact O-N 2.57Å; D589-I636 HydrophobicContact CB-CG1 4.28Å; D589-K638 IonicContact OD1-NZ 3.22Å; D589-K638 PolarHBondContact OD1-NZ 2.89Å
590	M	95.9	Very high	91.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-66.5	-45	176.5	178.4	-161.9	69.1	0	0	111.8	R575 I578 K579 S586 D587 E588 A593 A594 Y610 I636	R575-M590 HydrophobicContact CB-SD 4.14Å; R575-M590 HydrophobicContact CG-SD 3.73Å; I578-M590 HydrophobicContact CB-CG 4.1Å; I578-M590 HydrophobicContact CD1-CG 4.26Å; I578-M590 HydrophobicContact CG2-CB 4.49Å; I578-M590 HydrophobicContact CG2-CG 3.7Å; K579-M590 HydrophobicContact CG-CB 4.44Å; K579-M590 HydrophobicContact CG-CG 4.48Å; K579-M590 HydrophobicContact CG-SD 4.46Å; S586-M590 PolarHBondContact O-N 2.84Å; D587-M590 CarbonylContact O-C 3.51Å; D587-M590 WeakPolarHBondContact O-CA 3.42Å; D587-M590 WeakPolarHBondContact O-CB 3.37Å; D587-M590 PolarHBondContact O-N 2.89Å; D587-M590 VanDerWaalsContact O-N 3.14Å; E588-M590 VanDerWaalsContact C-N 3.27Å; E588-M590 PolarHBondContact O-N 3.48Å; M590-A593 PolarHBondContact O-N 3.01Å; M590-A594 WeakPolarHBondContact O-CB 3.47Å; M590-A594 PolarHBondContact O-N 3.22Å; M590-Y610 HydrophobicContact CE-CD1 3.44Å; M590-Y610 VanDerWaalsContact CE-CD1 3.44Å; M590-Y610 HydrophobicContact CE-CD2 4.39Å; M590-Y610 HydrophobicContact CE-CE1 3.66Å; M590-Y610 HydrophobicContact CE-CG 3.84Å; M590-Y610 HydrophobicContact CG-CD1 4.44Å; M590-Y610 HydrophobicContact CG-CE1 4.18Å; M590-Y610 HydrophobicContact SD-CD1 3.63Å; M590-Y610 HydrophobicContact SD-CE1 3.95Å; M590-Y610 HydrophobicContact SD-CG 4.46Å; M590-I636 HydrophobicContact CB-CD1 4.02Å
591	Y	96.1	Very high	91.7	Very high	61 Å²	61	62.2 Å²	62.2	24%	0.239	34%	0.335	C	S	.	.	H	α-helix	trans	-61.1	-47	177.1	-63.9	-43.3	0	0	0	111.1	D587 E588 A593 A594 E595 Y610	D587-Y591 HydrophobicContact CB-CE2 3.97Å; D587-Y591 WeakPolarHBondContact O-CD2 3.36Å; D587-Y591 PolarHBondContact O-N 3.3Å; E588-Y591 PolarHBondContact O-N 2.65Å; Y591-A593 PolarHBondContact O-N 3.06Å; Y591-A594 CarbonylContact O-C 3.59Å; Y591-A594 PolarHBondContact O-N 3.5Å; Y591-A594 VanDerWaalsContact O-N 3.15Å; Y591-E595 WeakPolarHBondContact O-CG 3.39Å; Y591-E595 PolarHBondContact O-N 2.86Å; Y591-Y610 HydrophobicContact CD1-CD2 4.37Å; Y591-Y610 HydrophobicContact CD1-CE1 4.31Å; Y591-Y610 AromaticContact CD1-CE2 3.66Å; Y591-Y610 HydrophobicContact CD1-CE2 3.66Å; Y591-Y610 AromaticContact CD1-CZ 3.62Å; Y591-Y610 AromaticContact CE1-CD2 3.73Å; Y591-Y610 HydrophobicContact CE1-CD2 3.73Å; Y591-Y610 HydrophobicContact CE1-CE1 4.42Å; Y591-Y610 AromaticContact CE1-CE2 3.46Å; Y591-Y610 HydrophobicContact CE1-CE2 3.46Å; Y591-Y610 VanDerWaalsContact CE1-CE2 3.46Å; Y591-Y610 HydrophobicContact CE1-CG 4.33Å; Y591-Y610 AromaticContact CE1-CZ 3.83Å
592	R	93.8	Very high	92.1	Very high	130 Å²	130	60.7 Å²	60.7	49%	0.491	31%	0.311	S	S	.	.	H	α-helix	trans	-59.5	-44.5	176	-71.5	-174.5	-67.4	179.2	-4.9	112.8	E588 D589 A594 E595 Q596	E588-R592 WeakPolarHBondContact O-CB 3.43Å; E588-R592 VanDerWaalsContact O-CG 3.31Å; E588-R592 WeakPolarHBondContact O-CG 3.18Å; E588-R592 PolarHBondContact O-N 3.49Å; E588-R592 PolarHBondContact O-NE 3.48Å; D589-R592 IonicContact OD1-CZ 3.65Å; D589-R592 IonicContact OD1-NH2 2.67Å; D589-R592 PolarHBondContact OD1-NH2 2.98Å; R592-A594 VanDerWaalsContact C-N 3.32Å; R592-A594 PolarHBondContact O-N 2.91Å; R592-E595 PolarHBondContact O-N 3.46Å; R592-Q596 VanDerWaalsContact O-CG 3.32Å; R592-Q596 WeakPolarHBondContact O-CG 3.43Å; R592-Q596 PolarHBondContact O-N 3.35Å
593	A	94.1	Very high	92.4	Very high	2 Å²	2	59.4 Å²	59.4	2%	0.017	30%	0.302	C	S	.	.	H	α-helix	trans	-64.4	-38.2	176.9	0	0	0	0	0	111.9	D589 M590 Y591 A597 L635 I636	D589-A593 WeakPolarHBondContact O-CB 3.41Å; D589-A593 PolarHBondContact O-N 2.57Å; M590-A593 PolarHBondContact O-N 3.01Å; Y591-A593 PolarHBondContact O-N 3.06Å; A593-A597 WeakPolarHBondContact O-CB 3.41Å; A593-A597 PolarHBondContact O-N 3.15Å; A593-A597 VanDerWaalsContact O-N 3.12Å; A593-L635 HydrophobicContact CB-CB 4.24Å; A593-I636 HydrophobicContact CB-CB 3.88Å; A593-I636 HydrophobicContact CB-CG1 4.46Å
594	A	95.4	Very high	93.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-69.4	-35.3	176	0	0	0	0	0	112.5	I578 M590 Y591 R592 A597 S598 A599 H600 I603 Y610	I578-A594 HydrophobicContact CD1-CB 4.42Å; M590-A594 WeakPolarHBondContact O-CB 3.47Å; M590-A594 PolarHBondContact O-N 3.22Å; Y591-A594 CarbonylContact O-C 3.59Å; Y591-A594 PolarHBondContact O-N 3.5Å; Y591-A594 VanDerWaalsContact O-N 3.15Å; R592-A594 VanDerWaalsContact C-N 3.32Å; R592-A594 PolarHBondContact O-N 2.91Å; A594-A597 PolarHBondContact O-N 3.08Å; A594-S598 PolarHBondContact O-N 3.32Å; A594-A599 HydrophobicContact CB-CB 4.29Å; A594-A599 WeakPolarHBondContact O-CA 3.35Å; A594-A599 WeakPolarHBondContact O-CB 3.49Å; A594-A599 PolarHBondContact O-N 2.84Å; A594-H600 HydrophobicContact CB-CB 4.27Å; A594-H600 PolarHBondContact O-N 3.27Å; A594-H600 VanDerWaalsContact O-N 3.13Å; A594-I603 HydrophobicContact CB-CD1 4.44Å; A594-Y610 HydrophobicContact CB-CE1 4.19Å; A594-Y610 WeakPolarHBondContact CB-OH 3.4Å
595	E	93.6	Very high	93.8	Very high	113 Å²	113	52.7 Å²	52.7	53%	0.528	27%	0.272	S	S	.	.	H	α-helix	trans	-66	-45.9	173.2	-74.5	176.6	171.1	0	0	111.6	Y591 R592 A597 S598 H600	Y591-E595 WeakPolarHBondContact O-CG 3.39Å; Y591-E595 PolarHBondContact O-N 2.86Å; R592-E595 PolarHBondContact O-N 3.46Å; E595-A597 PolarHBondContact O-N 3.28Å; E595-S598 PolarHBondContact O-N 3Å; E595-H600 HydrophobicContact CG-CB 3.77Å
596	Q	91.1	Very high	93.9	Very high	91 Å²	91	53.7 Å²	53.7	43%	0.425	27%	0.274	S	S	.	.	H	α-helix	trans	-60.9	-30.6	176.7	-71.6	175.4	-2.5	0	0	112.9	R592 S598 L635 A662	R592-Q596 VanDerWaalsContact O-CG 3.32Å; R592-Q596 WeakPolarHBondContact O-CG 3.43Å; R592-Q596 PolarHBondContact O-N 3.35Å; Q596-S598 VanDerWaalsContact C-N 3.31Å; Q596-L635 HydrophobicContact CB-CD1 3.65Å; Q596-A662 HydrophobicContact CB-CB 4.39Å; Q596-A662 VanDerWaalsContact O-CB 3.29Å; Q596-A662 WeakPolarHBondContact O-CB 3.42Å
597	A	92.6	Very high	93.6	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	7.9	175	0	0	0	0	0	113.8	A593 A594 E595 A599 R628 I631 A632 L635	A593-A597 WeakPolarHBondContact O-CB 3.41Å; A593-A597 PolarHBondContact O-N 3.15Å; A593-A597 VanDerWaalsContact O-N 3.12Å; A594-A597 PolarHBondContact O-N 3.08Å; E595-A597 PolarHBondContact O-N 3.28Å; A597-A599 HydrophobicContact CB-CB 4.3Å; A597-A599 PolarHBondContact O-N 3.26Å; A597-A599 VanDerWaalsContact O-N 3.08Å; A597-R628 WeakPolarHBondContact CB-O 3.18Å; A597-R628 WeakPolarHBondContact O-CB 3.46Å; A597-R628 VanDerWaalsContact O-CD 3.31Å; A597-R628 WeakPolarHBondContact O-CD 3.49Å; A597-R628 VanDerWaalsContact O-CG 3.25Å; A597-R628 WeakPolarHBondContact O-CG 3.39Å; A597-I631 HydrophobicContact CB-CB 4.03Å; A597-I631 HydrophobicContact CB-CG2 3.77Å; A597-A632 HydrophobicContact CB-CB 3.84Å; A597-L635 HydrophobicContact CB-CD1 4.43Å
598	S	92.3	Very high	93.6	Very high	15 Å²	15	62.4 Å²	62.4	11%	0.105	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	29.8	-172.5	-62.8	0	0	0	0	113.6	A594 E595 Q596 R628 Q658	A594-S598 PolarHBondContact O-N 3.32Å; E595-S598 PolarHBondContact O-N 3Å; Q596-S598 VanDerWaalsContact C-N 3.31Å; S598-R628 WeakPolarHBondContact O-CD 3.41Å; S598-R628 PolarHBondContact O-NH1 3.39Å; S598-Q658 WeakPolarHBondContact OG-CB 3.42Å; S598-Q658 PolarHBondContact OG-OE1 2.98Å
599	A	94.1	Very high	93.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.294	C	S	.	.			trans	-95.8	-31.1	-176	0	0	0	0	0	113	A594 A597 K601 F602 I603 R628	A594-A599 HydrophobicContact CB-CB 4.29Å; A594-A599 WeakPolarHBondContact O-CA 3.35Å; A594-A599 WeakPolarHBondContact O-CB 3.49Å; A594-A599 PolarHBondContact O-N 2.84Å; A597-A599 HydrophobicContact CB-CB 4.3Å; A597-A599 PolarHBondContact O-N 3.26Å; A597-A599 VanDerWaalsContact O-N 3.08Å; A599-K601 PolarHBondContact O-N 3.46Å; A599-F602 HydrophobicContact CB-CD1 4.36Å; A599-F602 HydrophobicContact CB-CE1 3.66Å; A599-F602 HydrophobicContact CB-CZ 4.29Å; A599-F602 WeakPolarHBondContact O-CD1 3.42Å; A599-F602 WeakPolarHBondContact O-CE1 3.28Å; A599-F602 PolarHBondContact O-N 2.88Å; A599-I603 HydrophobicContact CB-CD1 3.69Å; A599-I603 HydrophobicContact CB-CG1 4.46Å; A599-I603 WeakPolarHBondContact O-CD1 3.37Å; A599-I603 VanDerWaalsContact O-CG1 3.23Å; A599-I603 WeakPolarHBondContact O-CG1 3.3Å; A599-I603 PolarHBondContact O-N 2.73Å; A599-R628 HydrophobicContact CB-CB 3.96Å
600	H	95.3	Very high	93.7	Very high	56 Å²	56	56.3 Å²	56.3	26%	0.259	29%	0.288	S	S	.	.	H	α-helix	trans	-50.8	-52.9	-172.3	-177.7	73.1	0	0	0	113	A594 E595 F602 I603 T604 Y610	A594-H600 HydrophobicContact CB-CB 4.27Å; A594-H600 PolarHBondContact O-N 3.27Å; A594-H600 VanDerWaalsContact O-N 3.13Å; E595-H600 HydrophobicContact CG-CB 3.77Å; H600-F602 PolarHBondContact O-N 3.41Å; H600-I603 PolarHBondContact O-N 3.43Å; H600-I603 VanDerWaalsContact O-N 3.15Å; H600-T604 WeakPolarHBondContact O-CG2 3.32Å; H600-T604 PolarHBondContact O-N 3.34Å; H600-T604 PolarHBondContact O-OG1 3.45Å; H600-T604 VanDerWaalsContact O-OG1 3.07Å; H600-Y610 AromaticContact ND1-CE2 3.85Å; H600-Y610 AromaticContact ND1-CZ 3.83Å; H600-Y610 PolarHBondContact ND1-OH 3.27Å
601	K	92.7	Very high	93.7	Very high	185 Å²	185	59.8 Å²	59.8	80%	0.804	31%	0.307	S	S	*	.	H	α-helix	trans	-58	-41	-175.3	-173.1	179.4	-179.8	-178	0	113.8	A599 T604 G605	A599-K601 PolarHBondContact O-N 3.46Å; K601-T604 PolarHBondContact O-OG1 2.97Å; K601-G605 PolarHBondContact O-N 2.73Å
602	F	93.1	Very high	93.6	Very high	28 Å²	28	57.8 Å²	57.8	12%	0.123	30%	0.301	C	S	.	.	H	α-helix	trans	-79	-36.1	179.1	85.4	-103.2	0	0	0	111.2	A599 H600 T604 G605 L606 Q625 R628 I629	A599-F602 HydrophobicContact CB-CD1 4.36Å; A599-F602 HydrophobicContact CB-CE1 3.66Å; A599-F602 HydrophobicContact CB-CZ 4.29Å; A599-F602 WeakPolarHBondContact O-CD1 3.42Å; A599-F602 WeakPolarHBondContact O-CE1 3.28Å; A599-F602 PolarHBondContact O-N 2.88Å; H600-F602 PolarHBondContact O-N 3.41Å; F602-T604 VanDerWaalsContact C-N 3.33Å; F602-T604 PolarHBondContact O-N 3.47Å; F602-G605 WeakPolarHBondContact O-CA 3.25Å; F602-G605 PolarHBondContact O-N 2.96Å; F602-L606 PolarHBondContact O-N 3.46Å; F602-Q625 HydrophobicContact CD1-CG 4.43Å; F602-Q625 HydrophobicContact CD2-CB 4.43Å; F602-Q625 HydrophobicContact CD2-CG 3.8Å; F602-Q625 HydrophobicContact CE1-CB 4.38Å; F602-Q625 HydrophobicContact CE1-CG 4.23Å; F602-Q625 HydrophobicContact CE2-CB 3.75Å; F602-Q625 HydrophobicContact CE2-CG 3.62Å; F602-Q625 HydrophobicContact CG-CG 4.22Å; F602-Q625 HydrophobicContact CZ-CB 3.7Å; F602-Q625 HydrophobicContact CZ-CG 3.84Å; F602-R628 VanDerWaalsContact CD1-CZ 3.43Å; F602-R628 HydrophobicContact CE1-CB 4Å; F602-I629 HydrophobicContact CE2-CD1 4.27Å; F602-I629 HydrophobicContact CZ-CD1 4Å; F602-I629 HydrophobicContact CZ-CG1 3.89Å
603	I	95.9	Very high	93.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.7	-45	178.6	-66.2	166.7	0	0	0	109.6	V574 I578 A594 A599 H600 G605 L606 G609 Y610 I629	V574-I603 HydrophobicContact CG1-CD1 3.77Å; V574-I603 HydrophobicContact CG1-CG1 4.06Å; V574-I603 HydrophobicContact CG1-CG2 4.08Å; I578-I603 HydrophobicContact CD1-CD1 4.03Å; A594-I603 HydrophobicContact CB-CD1 4.44Å; A599-I603 HydrophobicContact CB-CD1 3.69Å; A599-I603 HydrophobicContact CB-CG1 4.46Å; A599-I603 WeakPolarHBondContact O-CD1 3.37Å; A599-I603 VanDerWaalsContact O-CG1 3.23Å; A599-I603 WeakPolarHBondContact O-CG1 3.3Å; A599-I603 PolarHBondContact O-N 2.73Å; H600-I603 PolarHBondContact O-N 3.43Å; H600-I603 VanDerWaalsContact O-N 3.15Å; I603-G605 PolarHBondContact O-N 2.85Å; I603-L606 WeakPolarHBondContact O-CB 3.29Å; I603-L606 WeakPolarHBondContact O-CG 3.45Å; I603-L606 PolarHBondContact O-N 3.46Å; I603-L606 VanDerWaalsContact O-N 3.08Å; I603-G609 CarbonylContact O-C 3.57Å; I603-G609 VanDerWaalsContact O-CA 3.23Å; I603-G609 WeakPolarHBondContact O-CA 3.45Å; I603-Y610 HydrophobicContact CB-CE2 4.34Å; I603-Y610 HydrophobicContact CD1-CE1 3.98Å; I603-Y610 HydrophobicContact CG2-CD1 3.71Å; I603-Y610 HydrophobicContact CG2-CD2 3.61Å; I603-Y610 HydrophobicContact CG2-CE1 3.84Å; I603-Y610 HydrophobicContact CG2-CE2 3.72Å; I603-Y610 HydrophobicContact CG2-CG 3.6Å; I603-I629 HydrophobicContact CD1-CG1 4.4Å
604	T	94.4	Very high	93.6	Very high	74 Å²	74	55.8 Å²	55.8	45%	0.454	30%	0.299	S	S	.	.	H	α-helix	trans	-64	-24	175.5	51.3	0	0	0	0	113.3	H600 K601 F602 L606 Y610	H600-T604 WeakPolarHBondContact O-CG2 3.32Å; H600-T604 PolarHBondContact O-N 3.34Å; H600-T604 PolarHBondContact O-OG1 3.45Å; H600-T604 VanDerWaalsContact O-OG1 3.07Å; K601-T604 PolarHBondContact O-OG1 2.97Å; F602-T604 VanDerWaalsContact C-N 3.33Å; F602-T604 PolarHBondContact O-N 3.47Å; T604-L606 VanDerWaalsContact C-N 3.34Å; T604-Y610 HydrophobicContact CG2-CE2 4.26Å
605	G	92.4	Very high	93.3	Very high	67 Å²	67	56.2 Å²	56.2	69%	0.691	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-8.6	174.9	0	0	0	0	0	114.4	K601 F602 I603	K601-G605 PolarHBondContact O-N 2.73Å; F602-G605 WeakPolarHBondContact O-CA 3.25Å; F602-G605 PolarHBondContact O-N 2.96Å; I603-G605 PolarHBondContact O-N 2.85Å
606	L	92.9	Very high	93	Very high	40 Å²	40	58.3 Å²	58.3	21%	0.209	31%	0.314	C	S	.	.	S	Bend	trans	-71.5	154.3	173.4	-60.5	174	0	0	0	110.6	V574 F602 I603 T604 R608 G609 T612	V574-L606 HydrophobicContact CG2-CD1 4.33Å; F602-L606 PolarHBondContact O-N 3.46Å; I603-L606 WeakPolarHBondContact O-CB 3.29Å; I603-L606 WeakPolarHBondContact O-CG 3.45Å; I603-L606 PolarHBondContact O-N 3.46Å; I603-L606 VanDerWaalsContact O-N 3.08Å; T604-L606 VanDerWaalsContact C-N 3.34Å; L606-R608 PolarHBondContact O-N 2.83Å; L606-R608 VanDerWaalsContact O-N 3.07Å; L606-G609 PolarHBondContact O-N 3.49Å; L606-T612 HydrophobicContact CB-CG2 4.24Å; L606-T612 VanDerWaalsContact CB-OG1 3.3Å; L606-T612 WeakPolarHBondContact CB-OG1 3.47Å; L606-T612 HydrophobicContact CD1-CG2 4.08Å
607	S	87.8	Confident	92.8	Very high	120 Å²	120	60.7 Å²	60.7	84%	0.839	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-30.7	-175.5	57.2	0	0	0	0	114.5
608	R	93.4	Very high	92.4	Very high	174 Å²	174	60.7 Å²	60.7	66%	0.657	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.5	19.5	176.1	-62.7	-173.8	65.1	178.2	-2.1	112.9	L606 Y610 D611 T612	L606-R608 PolarHBondContact O-N 2.83Å; L606-R608 VanDerWaalsContact O-N 3.07Å; R608-Y610 PolarHBondContact O-N 3.34Å; R608-D611 PolarHBondContact O-N 3.06Å; R608-T612 PolarHBondContact N-OG1 3.48Å
609	G	95.1	Very high	92.1	Very high	16 Å²	16	62.7 Å²	62.7	17%	0.165	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	56.3	-130.5	-178.5	0	0	0	0	0	112.2	I603 L606 D611 T612	I603-G609 CarbonylContact O-C 3.57Å; I603-G609 VanDerWaalsContact O-CA 3.23Å; I603-G609 WeakPolarHBondContact O-CA 3.45Å; L606-G609 PolarHBondContact O-N 3.49Å; G609-D611 PolarHBondContact O-N 3.5Å; G609-T612 PolarHBondContact N-OG1 2.98Å; G609-T612 VanDerWaalsContact O-CB 3.31Å; G609-T612 WeakPolarHBondContact O-CB 3.38Å; G609-T612 PolarHBondContact O-N 3.4Å; G609-T612 PolarHBondContact O-OG1 3.3Å
610	Y	95.9	Very high	91.8	Very high	11 Å²	11	69.8 Å²	69.8	4%	0.043	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-67.2	-19.3	176.3	-78.7	-92.9	0	0	0	114.5	V574 R575 I578 M590 Y591 A594 H600 I603 T604 R608 T612	V574-Y610 HydrophobicContact CG1-CD1 4.45Å; V574-Y610 PolarHBondContact N-O 3.48Å; R575-Y610 WeakPolarHBondContact CB-O 3.32Å; R575-Y610 PolarHBondContact N-O 3.37Å; I578-Y610 HydrophobicContact CD1-CD1 4.26Å; I578-Y610 HydrophobicContact CD1-CE1 3.87Å; M590-Y610 HydrophobicContact CE-CD1 3.44Å; M590-Y610 VanDerWaalsContact CE-CD1 3.44Å; M590-Y610 HydrophobicContact CE-CD2 4.39Å; M590-Y610 HydrophobicContact CE-CE1 3.66Å; M590-Y610 HydrophobicContact CE-CG 3.84Å; M590-Y610 HydrophobicContact CG-CD1 4.44Å; M590-Y610 HydrophobicContact CG-CE1 4.18Å; M590-Y610 HydrophobicContact SD-CD1 3.63Å; M590-Y610 HydrophobicContact SD-CE1 3.95Å; M590-Y610 HydrophobicContact SD-CG 4.46Å; Y591-Y610 HydrophobicContact CD1-CD2 4.37Å; Y591-Y610 HydrophobicContact CD1-CE1 4.31Å; Y591-Y610 AromaticContact CD1-CE2 3.66Å; Y591-Y610 HydrophobicContact CD1-CE2 3.66Å; Y591-Y610 AromaticContact CD1-CZ 3.62Å; Y591-Y610 AromaticContact CE1-CD2 3.73Å; Y591-Y610 HydrophobicContact CE1-CD2 3.73Å; Y591-Y610 HydrophobicContact CE1-CE1 4.42Å; Y591-Y610 AromaticContact CE1-CE2 3.46Å; Y591-Y610 HydrophobicContact CE1-CE2 3.46Å; Y591-Y610 VanDerWaalsContact CE1-CE2 3.46Å; Y591-Y610 HydrophobicContact CE1-CG 4.33Å; Y591-Y610 AromaticContact CE1-CZ 3.83Å; A594-Y610 HydrophobicContact CB-CE1 4.19Å; A594-Y610 WeakPolarHBondContact CB-OH 3.4Å; H600-Y610 AromaticContact ND1-CE2 3.85Å; H600-Y610 AromaticContact ND1-CZ 3.83Å; H600-Y610 PolarHBondContact ND1-OH 3.27Å; I603-Y610 HydrophobicContact CB-CE2 4.34Å; I603-Y610 HydrophobicContact CD1-CE1 3.98Å; I603-Y610 HydrophobicContact CG2-CD1 3.71Å; I603-Y610 HydrophobicContact CG2-CD2 3.61Å; I603-Y610 HydrophobicContact CG2-CE1 3.84Å; I603-Y610 HydrophobicContact CG2-CE2 3.72Å; I603-Y610 HydrophobicContact CG2-CG 3.6Å; T604-Y610 HydrophobicContact CG2-CE2 4.26Å; R608-Y610 PolarHBondContact O-N 3.34Å; Y610-T612 VanDerWaalsContact C-N 3.26Å; Y610-T612 PolarHBondContact O-N 2.94Å
611	D	96.1	Very high	91.4	Very high	73 Å²	73	67.8 Å²	67.8	39%	0.39	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-91.5	8.8	179.7	-54.3	-39.1	0	0	0	112	R575 R608 G609	R575-D611 IonicContact CZ-OD1 3.69Å; R575-D611 IonicContact NE-OD1 3.99Å; R575-D611 PolarHBondContact NE-OD1 3.05Å; R575-D611 IonicContact NH2-OD1 3.05Å; R575-D611 PolarHBondContact NH2-OD1 3.5Å; R575-D611 IonicContact NH2-OD2 2.81Å; R608-D611 PolarHBondContact O-N 3.06Å; G609-D611 PolarHBondContact O-N 3.5Å
612	T	94.9	Very high	91.3	Very high	19 Å²	19	62 Å²	62	12%	0.117	35%	0.353	C	S	.	.			trans	-67	132.2	171.1	-53	0	0	0	0	109.8	S573 V574 L606 R608 G609 Y610	S573-T612 CarbonylContact C-O 3.44Å; S573-T612 VanDerWaalsContact CA-O 3.3Å; S573-T612 WeakPolarHBondContact CA-O 3.23Å; V574-T612 PolarHBondContact N-O 2.78Å; L606-T612 HydrophobicContact CB-CG2 4.24Å; L606-T612 VanDerWaalsContact CB-OG1 3.3Å; L606-T612 WeakPolarHBondContact CB-OG1 3.47Å; L606-T612 HydrophobicContact CD1-CG2 4.08Å; R608-T612 PolarHBondContact N-OG1 3.48Å; G609-T612 PolarHBondContact N-OG1 2.98Å; G609-T612 VanDerWaalsContact O-CB 3.31Å; G609-T612 WeakPolarHBondContact O-CB 3.38Å; G609-T612 PolarHBondContact O-N 3.4Å; G609-T612 PolarHBondContact O-OG1 3.3Å; Y610-T612 VanDerWaalsContact C-N 3.26Å; Y610-T612 PolarHBondContact O-N 2.94Å
613	D	94.2	Very high	91	Very high	89 Å²	89	62.4 Å²	62.4	48%	0.476	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-72.9	129.6	174.9	-172.9	-1.8	0	0	0	110.6	R572 G615	R572-D613 PolarHBondContact N-OD1 3.07Å; D613-G615 VanDerWaalsContact C-N 3.27Å; D613-G615 PolarHBondContact OD1-N 3.47Å
614	A	92.1	Very high	90.6	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	37%	0.37	C	S	.	.			trans	-73.4	-19.8	176.4	0	0	0	0	0	112.7	L569 R572 G618 G619 Q620	L569-A614 HydrophobicContact CB-CB 4.26Å; L569-A614 HydrophobicContact CD1-CB 4.08Å; R572-A614 PolarHBondContact O-N 3.43Å; A614-G618 CarbonylContact O-C 3.56Å; A614-G618 WeakPolarHBondContact O-CA 3.46Å; A614-G619 PolarHBondContact O-N 3.38Å; A614-Q620 WeakPolarHBondContact O-CB 3.29Å; A614-Q620 PolarHBondContact O-N 2.99Å
615	G	90.3	Very high	90.4	Very high	9 Å²	9	61.4 Å²	61.4	9%	0.093	36%	0.358	C	S	.	.			trans	71.5	177.4	-175.7	0	0	0	0	0	113.9	A571 D613 K617 G618	A571-G615 WeakPolarHBondContact CA-O 3.41Å; D613-G615 VanDerWaalsContact C-N 3.27Å; D613-G615 PolarHBondContact OD1-N 3.47Å; G615-K617 PolarHBondContact O-N 3.33Å; G615-G618 PolarHBondContact O-N 2.97Å
616	E	87.4	Confident	90.4	Very high	157 Å²	157	60.4 Å²	60.4	73%	0.734	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-58	122	-177	-165.5	-175.5	168.3	0	0	111.6	G618 G619	E616-G618 PolarHBondContact O-N 2.97Å; E616-G619 PolarHBondContact O-N 3.05Å
617	K	85.4	Confident	90.4	Very high	141 Å²	141	58.6 Å²	58.6	61%	0.613	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	51.3	29.2	-174.9	-62.2	179.5	179.8	177.6	0	113.3	V568 L569 G615 K626	V568-K617 HydrophobicContact CG1-CB 4.23Å; V568-K617 HydrophobicContact CG1-CG 4.1Å; L569-K617 CarbonylContact O-C 3.56Å; L569-K617 VanDerWaalsContact O-CA 3.25Å; L569-K617 WeakPolarHBondContact O-CA 3.4Å; G615-K617 PolarHBondContact O-N 3.33Å; K617-K626 PolarHBondContact O-NZ 3.34Å
618	G	85.1	Confident	90.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	76.2	21.6	-176.5	0	0	0	0	0	114.5	A614 G615 E616 Q620 V621 K626	A614-G618 CarbonylContact O-C 3.56Å; A614-G618 WeakPolarHBondContact O-CA 3.46Å; G615-G618 PolarHBondContact O-N 2.97Å; E616-G618 PolarHBondContact O-N 2.97Å; G618-Q620 PolarHBondContact O-N 3.01Å; G618-V621 VanDerWaalsContact O-CG2 3.27Å; G618-V621 WeakPolarHBondContact O-CG2 3.48Å; G618-V621 PolarHBondContact O-N 2.94Å; G618-V621 VanDerWaalsContact O-N 3.09Å; G618-K626 VanDerWaalsContact C-NZ 3.32Å; G618-K626 WeakPolarHBondContact O-CE 3.31Å; G618-K626 PolarHBondContact O-NZ 3.26Å
619	G	86.7	Confident	90.7	Very high	57 Å²	57	45.9 Å²	45.9	59%	0.588	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-16.7	-174.9	0	0	0	0	0	116.3	A614 E616	A614-G619 PolarHBondContact O-N 3.38Å; E616-G619 PolarHBondContact O-N 3.05Å
620	Q	86.2	Confident	90.7	Very high	150 Å²	150	45.2 Å²	45.2	70%	0.701	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-0.4	-179.7	-60.9	-65.6	-35	0	0	114.3	A614 G618	A614-Q620 WeakPolarHBondContact O-CB 3.29Å; A614-Q620 PolarHBondContact O-N 2.99Å; G618-Q620 PolarHBondContact O-N 3.01Å
621	V	88.4	Confident	90.6	Very high	13 Å²	13	44.8 Å²	44.8	8%	0.079	25%	0.25	C	S	.	.	S	Bend	trans	-127.6	150	179.2	-69.7	0	0	0	0	111.5	L569 G618 Q625 K626	L569-V621 HydrophobicContact CD1-CG2 3.96Å; G618-V621 VanDerWaalsContact O-CG2 3.27Å; G618-V621 WeakPolarHBondContact O-CG2 3.48Å; G618-V621 PolarHBondContact O-N 2.94Å; G618-V621 VanDerWaalsContact O-N 3.09Å; V621-Q625 HydrophobicContact CB-CB 4.07Å; V621-K626 HydrophobicContact CG2-CD 4.43Å; V621-K626 HydrophobicContact CG2-CG 3.5Å; V621-K626 WeakPolarHBondContact O-CE 3.29Å
622	S	89.1	Confident	90.5	Very high	64 Å²	64	41.3 Å²	41.3	45%	0.448	23%	0.232	S	C	.	.			trans	-69.4	161.7	-179.9	78.1	0	0	0	0	112.4	G624 Q625 K626	S622-G624 PolarHBondContact O-N 3.01Å; S622-Q625 WeakPolarHBondContact O-CB 3.33Å; S622-Q625 PolarHBondContact O-N 3.3Å; S622-Q625 VanDerWaalsContact OG-CG 3.25Å; S622-Q625 WeakPolarHBondContact OG-CG 3.29Å; S622-Q625 PolarHBondContact OG-N 2.89Å; S622-Q625 PolarHBondContact OG-OE1 3.47Å; S622-K626 WeakPolarHBondContact O-CG 3.26Å; S622-K626 PolarHBondContact O-N 3.22Å
623	G	87	Confident	90.5	Very high	36 Å²	36	42.3 Å²	42.3	37%	0.371	23%	0.233	S	C	.	.	H	α-helix	trans	-53	-52.8	-179.9	0	0	0	0	0	113.4	Q625 K626 Q627	G623-Q625 VanDerWaalsContact C-N 3.29Å; G623-Q625 PolarHBondContact O-N 3.48Å; G623-K626 WeakPolarHBondContact O-CB 3.29Å; G623-K626 PolarHBondContact O-N 3.46Å; G623-K626 VanDerWaalsContact O-N 3.12Å; G623-Q627 PolarHBondContact O-N 2.83Å
624	G	87.8	Confident	90.5	Very high	10 Å²	10	38.3 Å²	38.3	10%	0.103	21%	0.212	C	C	.	.	H	α-helix	trans	-64.4	-27.9	176.2	0	0	0	0	0	114.1	S622 R628 L651	S622-G624 PolarHBondContact O-N 3.01Å; G624-R628 WeakPolarHBondContact O-CG 3.46Å; G624-R628 PolarHBondContact O-N 3.25Å; G624-L651 WeakPolarHBondContact O-CD2 3.24Å
625	Q	91.3	Very high	90.5	Very high	44 Å²	44	39 Å²	39	21%	0.206	22%	0.216	C	C	.	.	H	α-helix	trans	-70.2	-41.8	171.5	-72.1	170.5	-14.5	0	0	111.6	F602 V621 S622 G623 Q627 R628 I629	F602-Q625 HydrophobicContact CD1-CG 4.43Å; F602-Q625 HydrophobicContact CD2-CB 4.43Å; F602-Q625 HydrophobicContact CD2-CG 3.8Å; F602-Q625 HydrophobicContact CE1-CB 4.38Å; F602-Q625 HydrophobicContact CE1-CG 4.23Å; F602-Q625 HydrophobicContact CE2-CB 3.75Å; F602-Q625 HydrophobicContact CE2-CG 3.62Å; F602-Q625 HydrophobicContact CG-CG 4.22Å; F602-Q625 HydrophobicContact CZ-CB 3.7Å; F602-Q625 HydrophobicContact CZ-CG 3.84Å; V621-Q625 HydrophobicContact CB-CB 4.07Å; S622-Q625 WeakPolarHBondContact O-CB 3.33Å; S622-Q625 PolarHBondContact O-N 3.3Å; S622-Q625 VanDerWaalsContact OG-CG 3.25Å; S622-Q625 WeakPolarHBondContact OG-CG 3.29Å; S622-Q625 PolarHBondContact OG-N 2.89Å; S622-Q625 PolarHBondContact OG-OE1 3.47Å; G623-Q625 VanDerWaalsContact C-N 3.29Å; G623-Q625 PolarHBondContact O-N 3.48Å; Q625-Q627 VanDerWaalsContact C-N 3.33Å; Q625-Q627 PolarHBondContact O-N 3.09Å; Q625-R628 PolarHBondContact O-N 3.22Å; Q625-I629 WeakPolarHBondContact O-CG1 3.27Å; Q625-I629 PolarHBondContact O-N 3.45Å
626	K	92.3	Very high	90.7	Very high	45 Å²	45	39.2 Å²	39.2	20%	0.196	22%	0.215	C	C	.	.	H	α-helix	trans	-58.7	-45.1	174.1	-65.9	-178	-162.5	-158.8	0	111.5	C567 L569 K617 G618 V621 S622 G623 I629 A630	C567-K626 HydrophobicContact CB-CB 4.24Å; L569-K626 HydrophobicContact CD1-CB 4.47Å; L569-K626 HydrophobicContact CD1-CG 4.17Å; K617-K626 PolarHBondContact O-NZ 3.34Å; G618-K626 VanDerWaalsContact C-NZ 3.32Å; G618-K626 WeakPolarHBondContact O-CE 3.31Å; G618-K626 PolarHBondContact O-NZ 3.26Å; V621-K626 HydrophobicContact CG2-CD 4.43Å; V621-K626 HydrophobicContact CG2-CG 3.5Å; V621-K626 WeakPolarHBondContact O-CE 3.29Å; S622-K626 WeakPolarHBondContact O-CG 3.26Å; S622-K626 PolarHBondContact O-N 3.22Å; G623-K626 WeakPolarHBondContact O-CB 3.29Å; G623-K626 PolarHBondContact O-N 3.46Å; G623-K626 VanDerWaalsContact O-N 3.12Å; K626-I629 PolarHBondContact O-N 2.91Å; K626-A630 WeakPolarHBondContact O-CB 3.21Å; K626-A630 PolarHBondContact O-N 2.98Å
627	Q	91.4	Very high	90.9	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	19%	0.194	C	C	.	.	H	α-helix	trans	-57.6	-50.3	177.7	-73.6	-174.1	-15.9	0	0	111.2	C567 G623 Q625 I629 A630 I631 A647 S649 D650 L651	C567-Q627 HydrophobicContact CB-CG 4.27Å; G623-Q627 PolarHBondContact O-N 2.83Å; Q625-Q627 VanDerWaalsContact C-N 3.33Å; Q625-Q627 PolarHBondContact O-N 3.09Å; Q627-I629 PolarHBondContact O-N 2.7Å; Q627-A630 WeakPolarHBondContact O-CB 3.41Å; Q627-A630 PolarHBondContact O-N 2.9Å; Q627-A630 VanDerWaalsContact O-N 3.13Å; Q627-I631 VanDerWaalsContact O-CG1 3.27Å; Q627-I631 WeakPolarHBondContact O-CG1 3.3Å; Q627-I631 PolarHBondContact O-N 3.24Å; Q627-A647 VanDerWaalsContact CD-O 3.31Å; Q627-A647 PolarHBondContact OE1-O 3.23Å; Q627-S649 PolarHBondContact NE2-OG 3.18Å; Q627-D650 VanDerWaalsContact OE1-N 3.1Å; Q627-L651 HydrophobicContact CB-CD2 4.26Å
628	R	93	Very high	91.1	Very high	27 Å²	27	35.2 Å²	35.2	10%	0.102	19%	0.193	C	C	.	.	H	α-helix	trans	-62.2	-39.2	177.8	-70.9	-172.4	-72.9	-174	-13.5	113.5	A597 S598 A599 F602 G624 Q625 A630 I631 A632 L651 N655	A597-R628 WeakPolarHBondContact CB-O 3.18Å; A597-R628 WeakPolarHBondContact O-CB 3.46Å; A597-R628 VanDerWaalsContact O-CD 3.31Å; A597-R628 WeakPolarHBondContact O-CD 3.49Å; A597-R628 VanDerWaalsContact O-CG 3.25Å; A597-R628 WeakPolarHBondContact O-CG 3.39Å; S598-R628 WeakPolarHBondContact O-CD 3.41Å; S598-R628 PolarHBondContact O-NH1 3.39Å; A599-R628 HydrophobicContact CB-CB 3.96Å; F602-R628 VanDerWaalsContact CD1-CZ 3.43Å; F602-R628 HydrophobicContact CE1-CB 4Å; G624-R628 WeakPolarHBondContact O-CG 3.46Å; G624-R628 PolarHBondContact O-N 3.25Å; Q625-R628 PolarHBondContact O-N 3.22Å; R628-A630 VanDerWaalsContact C-N 3.35Å; R628-I631 PolarHBondContact O-N 3.34Å; R628-A632 PolarHBondContact O-N 3.27Å; R628-L651 HydrophobicContact CG-CD2 3.67Å; R628-N655 VanDerWaalsContact NH1-CG 3.32Å; R628-N655 PolarHBondContact NH1-ND2 2.62Å; R628-N655 PolarHBondContact NH1-OD1 3.21Å
629	I	95	Very high	91.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.6	-41.7	174	-67.3	163.3	0	0	0	110.6	L569 V574 N577 I578 F602 I603 Q625 K626 Q627 A632 R633	L569-I629 HydrophobicContact CD1-CB 4.25Å; L569-I629 HydrophobicContact CD1-CD1 3.96Å; L569-I629 HydrophobicContact CD1-CG2 4Å; L569-I629 HydrophobicContact CD2-CB 4.28Å; L569-I629 HydrophobicContact CD2-CG2 3.66Å; V574-I629 HydrophobicContact CG1-CD1 4.12Å; V574-I629 HydrophobicContact CG1-CG1 4.2Å; V574-I629 HydrophobicContact CG2-CD1 4.2Å; N577-I629 HydrophobicContact CB-CG2 4.26Å; I578-I629 HydrophobicContact CG1-CG2 4.08Å; F602-I629 HydrophobicContact CE2-CD1 4.27Å; F602-I629 HydrophobicContact CZ-CD1 4Å; F602-I629 HydrophobicContact CZ-CG1 3.89Å; I603-I629 HydrophobicContact CD1-CG1 4.4Å; Q625-I629 WeakPolarHBondContact O-CG1 3.27Å; Q625-I629 PolarHBondContact O-N 3.45Å; K626-I629 PolarHBondContact O-N 2.91Å; Q627-I629 PolarHBondContact O-N 2.7Å; I629-A632 PolarHBondContact O-N 3.08Å; I629-R633 WeakPolarHBondContact O-CB 3.22Å; I629-R633 PolarHBondContact O-N 3.14Å
630	A	94.6	Very high	91.8	Very high	3 Å²	3	36.6 Å²	36.6	3%	0.025	18%	0.184	C	C	.	.	H	α-helix	trans	-65.8	-37.3	177.5	0	0	0	0	0	112.3	V563 C567 K626 Q627 R628 R633 A634	V563-A630 HydrophobicContact CG1-CB 3.92Å; C567-A630 HydrophobicContact CB-CB 3.9Å; K626-A630 WeakPolarHBondContact O-CB 3.21Å; K626-A630 PolarHBondContact O-N 2.98Å; Q627-A630 WeakPolarHBondContact O-CB 3.41Å; Q627-A630 PolarHBondContact O-N 2.9Å; Q627-A630 VanDerWaalsContact O-N 3.13Å; R628-A630 VanDerWaalsContact C-N 3.35Å; A630-R633 WeakPolarHBondContact O-CB 3.42Å; A630-R633 PolarHBondContact O-N 2.95Å; A630-A634 PolarHBondContact O-N 3.48Å
631	I	93.6	Very high	92.3	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-64.3	-48.3	172.5	-65.8	163.4	0	0	0	110	V563 A597 Q627 R628 R633 A634 L635 V659	V563-I631 HydrophobicContact CG1-CG1 4.06Å; V563-I631 HydrophobicContact CG2-CG1 4.22Å; A597-I631 HydrophobicContact CB-CB 4.03Å; A597-I631 HydrophobicContact CB-CG2 3.77Å; Q627-I631 VanDerWaalsContact O-CG1 3.27Å; Q627-I631 WeakPolarHBondContact O-CG1 3.3Å; Q627-I631 PolarHBondContact O-N 3.24Å; R628-I631 PolarHBondContact O-N 3.34Å; I631-R633 VanDerWaalsContact C-N 3.28Å; I631-R633 PolarHBondContact O-N 3.44Å; I631-A634 WeakPolarHBondContact O-CA 3.28Å; I631-A634 WeakPolarHBondContact O-CB 3.48Å; I631-A634 PolarHBondContact O-N 3.47Å; I631-L635 HydrophobicContact CG2-CD1 3.83Å; I631-L635 HydrophobicContact CG2-CG 4.13Å; I631-L635 WeakPolarHBondContact O-CG 3.35Å; I631-L635 PolarHBondContact O-N 2.96Å; I631-V659 HydrophobicContact CD1-CG1 3.98Å
632	A	94.8	Very high	92.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57.2	-41.6	175.8	0	0	0	0	0	112.1	I578 A597 R628 I629 A634 L635 I636	I578-A632 HydrophobicContact CD1-CB 4.24Å; I578-A632 HydrophobicContact CG1-CB 4.18Å; I578-A632 HydrophobicContact CG2-CB 4.21Å; A597-A632 HydrophobicContact CB-CB 3.84Å; R628-A632 PolarHBondContact O-N 3.27Å; I629-A632 PolarHBondContact O-N 3.08Å; A632-A634 VanDerWaalsContact C-N 3.28Å; A632-A634 PolarHBondContact O-N 3.45Å; A632-L635 PolarHBondContact O-N 2.95Å; A632-I636 PolarHBondContact O-N 3.36Å
633	R	95.1	Very high	92.8	Very high	40 Å²	40	26 Å²	26	15%	0.151	13%	0.126	C	C	.	.	H	α-helix	trans	-61.3	-32.2	174.3	175.4	178.7	52.6	-174.9	-7.3	113.1	V568 N577 I629 A630 I631 I636	V568-R633 PolarHBondContact O-NH1 3.28Å; V568-R633 PolarHBondContact O-NH2 3.43Å; N577-R633 VanDerWaalsContact O-CD 3.22Å; N577-R633 WeakPolarHBondContact O-CD 3.08Å; N577-R633 WeakPolarHBondContact O-CG 3.33Å; I629-R633 WeakPolarHBondContact O-CB 3.22Å; I629-R633 PolarHBondContact O-N 3.14Å; A630-R633 WeakPolarHBondContact O-CB 3.42Å; A630-R633 PolarHBondContact O-N 2.95Å; I631-R633 VanDerWaalsContact C-N 3.28Å; I631-R633 PolarHBondContact O-N 3.44Å; R633-I636 WeakPolarHBondContact O-CG2 3.39Å
634	A	93.6	Very high	93	Very high	4 Å²	4	24.4 Å²	24.4	3%	0.033	11%	0.109	C	C	.	.	H	α-helix	trans	-76.5	-42.8	173.2	0	0	0	0	0	111.8	A561 V563 A630 I631 A632 R637 L642	A561-A634 HydrophobicContact CB-CB 3.88Å; V563-A634 HydrophobicContact CG2-CB 3.59Å; A630-A634 PolarHBondContact O-N 3.48Å; I631-A634 WeakPolarHBondContact O-CA 3.28Å; I631-A634 WeakPolarHBondContact O-CB 3.48Å; I631-A634 PolarHBondContact O-N 3.47Å; A632-A634 VanDerWaalsContact C-N 3.28Å; A632-A634 PolarHBondContact O-N 3.45Å; A634-R637 WeakPolarHBondContact O-CB 3.46Å; A634-R637 PolarHBondContact O-N 2.93Å; A634-L642 HydrophobicContact CB-CD1 4.01Å
635	L	92.6	Very high	93.2	Very high	14 Å²	14	24.3 Å²	24.3	7%	0.073	11%	0.106	C	C	.	.	H	α-helix	trans	-68.9	-35.6	-175.1	-67.8	179.3	0	0	0	113.6	A593 Q596 A597 I631 A632 R637 K638 L642 L666	A593-L635 HydrophobicContact CB-CB 4.24Å; Q596-L635 HydrophobicContact CB-CD1 3.65Å; A597-L635 HydrophobicContact CB-CD1 4.43Å; I631-L635 HydrophobicContact CG2-CD1 3.83Å; I631-L635 HydrophobicContact CG2-CG 4.13Å; I631-L635 WeakPolarHBondContact O-CG 3.35Å; I631-L635 PolarHBondContact O-N 2.96Å; A632-L635 PolarHBondContact O-N 2.95Å; L635-R637 PolarHBondContact O-N 3.07Å; L635-R637 VanDerWaalsContact O-N 3.1Å; L635-K638 PolarHBondContact O-N 3.07Å; L635-L642 HydrophobicContact CD2-CD2 4.2Å; L635-L666 HydrophobicContact CD2-CD2 3.52Å
636	I	93.7	Very high	92.6	Very high	14 Å²	14	23 Å²	23	7%	0.072	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.2	178.6	-163.5	172.7	0	0	0	112.5	I578 K579 A585 D589 M590 A593 A632 R633 K638	I578-I636 HydrophobicContact CG2-CD1 4.17Å; I578-I636 WeakPolarHBondContact O-CG2 3.38Å; K579-I636 HydrophobicContact CG-CD1 4.03Å; A585-I636 HydrophobicContact CB-CD1 3.79Å; A585-I636 HydrophobicContact CB-CG1 4.21Å; D589-I636 HydrophobicContact CB-CG1 4.28Å; M590-I636 HydrophobicContact CB-CD1 4.02Å; A593-I636 HydrophobicContact CB-CB 3.88Å; A593-I636 HydrophobicContact CB-CG1 4.46Å; A632-I636 PolarHBondContact O-N 3.36Å; R633-I636 WeakPolarHBondContact O-CG2 3.39Å; I636-K638 PolarHBondContact O-N 3.3Å
637	R	91.4	Very high	91.7	Very high	77 Å²	77	20.9 Å²	20.9	29%	0.291	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-12.9	177.2	-62.7	-169	170.9	-160.6	-1.5	113.9	H557 Y580 A634 L635	H557-R637 PolarHBondContact O-NH1 3.1Å; H557-R637 VanDerWaalsContact O-NH1 3.12Å; Y580-R637 PolarHBondContact O-NH2 3.48Å; A634-R637 WeakPolarHBondContact O-CB 3.46Å; A634-R637 PolarHBondContact O-N 2.93Å; L635-R637 PolarHBondContact O-N 3.07Å; L635-R637 VanDerWaalsContact O-N 3.1Å
638	K	90.9	Very high	90.9	Very high	137 Å²	137	21.3 Å²	21.3	60%	0.596	10%	0.095	S	C	*	.			trans	51.6	56.1	-174.7	-59	171.9	-174.9	167.1	0	111.4	D589 L635 I636	D589-K638 IonicContact OD1-NZ 3.22Å; D589-K638 PolarHBondContact OD1-NZ 2.89Å; L635-K638 PolarHBondContact O-N 3.07Å; I636-K638 PolarHBondContact O-N 3.3Å
639	P	92.8	Very high	90	Very high	6 Å²	6	21.5 Å²	21.5	4%	0.039	10%	0.1	C	C	.	.			trans	-65.2	157.9	-174.7	30.5	-37.5	0	0	0	112.1	A561 L642 C670	A561-P639 HydrophobicContact CB-CB 3.64Å; A561-P639 HydrophobicContact CB-CG 3.78Å; P639-L642 HydrophobicContact CG-CB 4.31Å; P639-L642 HydrophobicContact CG-CD1 4.4Å; P639-C670 PolarHBondContact O-SG 3.31Å
640	K	94.1	Very high	89.1	Confident	81 Å²	81	26.3 Å²	26.3	35%	0.352	13%	0.126	S	C	.	.	S	Bend	trans	-98.4	-20.9	169.9	-67.9	-67.9	-180	-177.1	0	112.6	F476 K559 C670 S671	F476-K640 HydrophobicContact CD1-CB 3.48Å; F476-K640 VanDerWaalsContact CD1-CB 3.48Å; F476-K640 HydrophobicContact CD1-CG 3.87Å; F476-K640 HydrophobicContact CE1-CB 3.75Å; K559-K640 HydrophobicContact CD-CG 4.48Å; K559-K640 PolarHBondContact O-N 3.02Å; K640-C670 PolarHBondContact O-SG 3.32Å; K640-C670 VanDerWaalsContact O-SG 3.35Å; K640-S671 PolarHBondContact O-N 3.01Å
641	I	94.9	Very high	88.4	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	120	168.9	-58.6	163.1	0	0	0	107.2	F476 V480 L543 K559 I560 A561 I643 S671	F476-I641 HydrophobicContact CE1-CD1 3.84Å; F476-I641 HydrophobicContact CE1-CG1 4.16Å; F476-I641 HydrophobicContact CZ-CD1 3.76Å; V480-I641 HydrophobicContact CG2-CD1 3.57Å; V480-I641 HydrophobicContact CG2-CG1 4.27Å; V480-I641 HydrophobicContact CG2-CG2 4.48Å; L543-I641 HydrophobicContact CD2-CD1 3.86Å; K559-I641 PolarHBondContact O-N 3.22Å; I560-I641 WeakPolarHBondContact CA-O 3.45Å; I560-I641 HydrophobicContact CD1-CD1 4.07Å; I560-I641 HydrophobicContact CG1-CB 4.14Å; I560-I641 HydrophobicContact CG1-CD1 4Å; I560-I641 HydrophobicContact CG2-CB 4.43Å; I560-I641 HydrophobicContact CG2-CG2 4.37Å; A561-I641 PolarHBondContact N-O 3.09Å; I641-I643 HydrophobicContact CG2-CG1 4.17Å; I641-S671 CarbonylContact C-O 3.59Å; I641-S671 VanDerWaalsContact CA-O 3.32Å; I641-S671 WeakPolarHBondContact CA-O 3.33Å
642	L	94.7	Very high	87.9	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.4	175.7	178.1	62.9	0	0	0	109.3	A561 A634 L635 P639 L644 L663 L666 S671 V672 L673	A561-L642 HydrophobicContact CB-CD1 4.13Å; A561-L642 WeakPolarHBondContact O-CA 3.43Å; A634-L642 HydrophobicContact CB-CD1 4.01Å; L635-L642 HydrophobicContact CD2-CD2 4.2Å; P639-L642 HydrophobicContact CG-CB 4.31Å; P639-L642 HydrophobicContact CG-CD1 4.4Å; L642-L644 HydrophobicContact CD1-CD2 4.28Å; L642-L644 HydrophobicContact CD2-CD2 4.44Å; L642-L644 HydrophobicContact CG-CD2 4.27Å; L642-L644 HydrophobicContact CG-CG 4.3Å; L642-L663 HydrophobicContact CD2-CD2 3.38Å; L642-L666 HydrophobicContact CD2-CD2 3.69Å; L642-S671 PolarHBondContact N-O 3.04Å; L642-V672 HydrophobicContact CB-CG2 4.44Å; L642-V672 CarbonylContact O-C 2.97Å; L642-V672 WeakPolarHBondContact O-CA 3.5Å; L642-L673 PolarHBondContact O-N 3.32Å
643	I	94.4	Very high	87.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.3	178.8	-48.9	178.1	0	0	0	109	V527 L530 I560 A561 V562 V563 I641 L673 I675	V527-I643 HydrophobicContact CG1-CD1 4.14Å; V527-I643 HydrophobicContact CG1-CG2 3.99Å; V527-I643 HydrophobicContact CG2-CG2 3.8Å; L530-I643 HydrophobicContact CD2-CD1 3.56Å; L530-I643 HydrophobicContact CG-CD1 4.23Å; I560-I643 HydrophobicContact CG2-CD1 3.93Å; I560-I643 HydrophobicContact CG2-CG1 4.36Å; A561-I643 PolarHBondContact O-N 3.03Å; V562-I643 WeakPolarHBondContact CA-O 3.24Å; V562-I643 HydrophobicContact CB-CB 4.44Å; V562-I643 HydrophobicContact CG1-CB 4.26Å; V562-I643 HydrophobicContact CG1-CG2 4.46Å; V562-I643 HydrophobicContact CG2-CB 4Å; V562-I643 HydrophobicContact CG2-CD1 3.84Å; V562-I643 HydrophobicContact CG2-CG1 4.2Å; V563-I643 PolarHBondContact N-O 3.29Å; I641-I643 HydrophobicContact CG2-CG1 4.17Å; I643-L673 WeakPolarHBondContact CA-O 3.4Å; I643-L673 HydrophobicContact CG1-CB 4.35Å; I643-L673 HydrophobicContact CG2-CB 4.45Å; I643-L673 HydrophobicContact CG2-CD2 4.25Å; I643-L673 HydrophobicContact CG2-CG 4.43Å; I643-I675 HydrophobicContact CG2-CD1 4.37Å
644	L	91.8	Very high	86.6	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	105.6	179.3	-60.2	172.8	0	0	0	108.6	V563 L642 A647 L663 V672 L673 M674 I675	V563-L644 HydrophobicContact CB-CD2 3.76Å; V563-L644 HydrophobicContact CG2-CD2 3.6Å; L642-L644 HydrophobicContact CD1-CD2 4.28Å; L642-L644 HydrophobicContact CD2-CD2 4.44Å; L642-L644 HydrophobicContact CG-CD2 4.27Å; L642-L644 HydrophobicContact CG-CG 4.3Å; L644-A647 HydrophobicContact CB-CB 4.27Å; L644-A647 HydrophobicContact CD2-CB 4.25Å; L644-L663 HydrophobicContact CD1-CD1 3.36Å; L644-L663 HydrophobicContact CD1-CD2 3.95Å; L644-L663 HydrophobicContact CD1-CG 4.29Å; L644-V672 HydrophobicContact CD1-CG1 4.44Å; L644-L673 PolarHBondContact N-O 2.97Å; L644-M674 HydrophobicContact CB-CG 4.49Å; L644-M674 HydrophobicContact CD1-CE 3.99Å; L644-M674 HydrophobicContact CD1-CG 4.17Å; L644-I675 PolarHBondContact O-N 3.39Å
645	D	90.3	Very high	86.2	Confident	8 Å²	8	41.6 Å²	41.6	4%	0.043	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	96.5	178.7	-167.4	-0.3	0	0	0	110.9	T524 V563 Q565 A647 I675	T524-D645 WeakPolarHBondContact CG2-OD2 3.44Å; T524-D645 PolarHBondContact OG1-OD2 3.42Å; V563-D645 PolarHBondContact O-N 3.1Å; Q565-D645 WeakPolarHBondContact CA-O 3.42Å; Q565-D645 PolarHBondContact N-O 2.93Å; Q565-D645 VanDerWaalsContact N-O 3.11Å; D645-A647 PolarHBondContact O-N 3.09Å; D645-I675 HydrophobicContact CB-CB 4.47Å; D645-I675 HydrophobicContact CB-CD1 4.49Å; D645-I675 VanDerWaalsContact OD1-CG2 3.26Å; D645-I675 WeakPolarHBondContact OD1-CG2 3.49Å
646	N	80.8	Confident	85.7	Confident	16 Å²	16	42.9 Å²	42.9	9%	0.086	22%	0.215	C	C	.	.	S	Bend	trans	51.5	21.5	-174	-65	-45.1	0	0	0	114	Q565 T648 S649 I675 S676 N677	Q565-N646 HydrophobicContact CB-CB 4.39Å; Q565-N646 HydrophobicContact CG-CB 4.09Å; Q565-N646 PolarHBondContact OE1-ND2 3.29Å; N646-T648 PolarHBondContact O-N 3.35Å; N646-S649 WeakPolarHBondContact O-CB 3.34Å; N646-S649 PolarHBondContact O-N 3.31Å; N646-S649 PolarHBondContact O-OG 3.47Å; N646-I675 PolarHBondContact N-O 2.84Å; N646-S676 VanDerWaalsContact OD1-CA 3.26Å; N646-S676 WeakPolarHBondContact OD1-CA 3.39Å; N646-N677 PolarHBondContact OD1-N 2.95Å; N646-N677 VanDerWaalsContact OD1-N 3.1Å
647	A	71.5	Confident	85.2	Confident	2 Å²	2	48.4 Å²	48.4	2%	0.017	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-3.3	-169.6	0	0	0	0	0	115.4	V563 Q627 L644 D645	V563-A647 HydrophobicContact CB-CB 3.82Å; V563-A647 HydrophobicContact CG1-CB 3.45Å; V563-A647 VanDerWaalsContact CG1-CB 3.45Å; Q627-A647 VanDerWaalsContact CD-O 3.31Å; Q627-A647 PolarHBondContact OE1-O 3.23Å; L644-A647 HydrophobicContact CB-CB 4.27Å; L644-A647 HydrophobicContact CD2-CB 4.25Å; D645-A647 PolarHBondContact O-N 3.09Å
648	T	75.4	Confident	84.8	Confident	11 Å²	11	48.3 Å²	48.3	7%	0.067	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	10.3	175.1	64.7	0	0	0	0	112.7	N646 D650 L651 E656 V659	N646-T648 PolarHBondContact O-N 3.35Å; T648-D650 VanDerWaalsContact C-N 3.34Å; T648-D650 PolarHBondContact O-N 2.7Å; T648-L651 HydrophobicContact CG2-CD1 4.09Å; T648-E656 PolarHBondContact OG1-OE1 3.09Å; T648-V659 HydrophobicContact CG2-CG1 4.49Å
649	S	74.6	Confident	84.6	Confident	31 Å²	31	41.8 Å²	41.8	22%	0.217	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-35.7	-173.2	65.1	0	0	0	0	113.8	Q627 N646 K678	Q627-S649 PolarHBondContact NE2-OG 3.18Å; N646-S649 WeakPolarHBondContact O-CB 3.34Å; N646-S649 PolarHBondContact O-N 3.31Å; N646-S649 PolarHBondContact O-OG 3.47Å; S649-K678 PolarHBondContact O-NZ 2.91Å
650	D	74.8	Confident	84.1	Confident	100 Å²	100	45.9 Å²	45.9	54%	0.535	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	8.8	-169.9	-55.2	-10.3	0	0	0	111.4	Q627 T648	Q627-D650 VanDerWaalsContact OE1-N 3.1Å; T648-D650 VanDerWaalsContact C-N 3.34Å; T648-D650 PolarHBondContact O-N 2.7Å
651	L	80.2	Confident	83.6	Confident	12 Å²	12	46.1 Å²	46.1	6%	0.063	23%	0.228	C	C	.	.	S	Bend	trans	-81.1	139.8	170.5	-58.5	-179.9	0	0	0	109.5	G624 Q627 R628 T648 E656 V659	G624-L651 WeakPolarHBondContact O-CD2 3.24Å; Q627-L651 HydrophobicContact CB-CD2 4.26Å; R628-L651 HydrophobicContact CG-CD2 3.67Å; T648-L651 HydrophobicContact CG2-CD1 4.09Å; L651-E656 HydrophobicContact CB-CB 4.07Å; L651-V659 HydrophobicContact CD1-CG2 4.27Å
652	D	82.8	Confident	83.2	Confident	82 Å²	82	47.3 Å²	47.3	44%	0.439	24%	0.238	S	C	.	.			trans	-66.6	154.8	163.2	57.4	-48	0	0	0	110.7	E654 N655 E656	D652-E654 PolarHBondContact O-N 3.14Å; D652-E654 VanDerWaalsContact O-N 3.12Å; D652-N655 PolarHBondContact O-N 3.43Å; D652-N655 VanDerWaalsContact O-N 3.15Å; D652-N655 WeakPolarHBondContact OD1-CB 3.5Å; D652-N655 PolarHBondContact OD1-ND2 3.47Å; D652-N655 PolarHBondContact OD2-ND2 3.49Å; D652-E656 WeakPolarHBondContact O-CB 3.49Å; D652-E656 PolarHBondContact O-N 2.99Å
653	T	81	Confident	82.7	Confident	121 Å²	121	47.4 Å²	47.4	74%	0.742	24%	0.238	S	C	*	.	H	α-helix	trans	-55	-36	-171.2	-44.4	0	0	0	0	113.6	Y657	T653-Y657 WeakPolarHBondContact O-CB 3.5Å; T653-Y657 PolarHBondContact O-N 3.03Å; T653-Y657 VanDerWaalsContact O-N 3.09Å
654	E	82.6	Confident	82.3	Confident	132 Å²	132	50.2 Å²	50.2	62%	0.617	26%	0.258	S	S	*	.	H	α-helix	trans	-69	-49.3	179.5	-171.8	-177.2	167.6	0	0	111.7	D652 Y657 Q658	D652-E654 PolarHBondContact O-N 3.14Å; D652-E654 VanDerWaalsContact O-N 3.12Å; E654-Y657 PolarHBondContact O-N 3.42Å; E654-Q658 WeakPolarHBondContact O-CG 3.35Å; E654-Q658 PolarHBondContact O-N 2.84Å
655	N	84.3	Confident	82	Confident	24 Å²	24	55.9 Å²	55.9	13%	0.128	28%	0.282	C	S	.	.	H	α-helix	trans	-69	-36	178.4	-70.9	-57.8	0	0	0	111.7	R628 D652 Y657 Q658 V659	R628-N655 VanDerWaalsContact NH1-CG 3.32Å; R628-N655 PolarHBondContact NH1-ND2 2.62Å; R628-N655 PolarHBondContact NH1-OD1 3.21Å; D652-N655 PolarHBondContact O-N 3.43Å; D652-N655 VanDerWaalsContact O-N 3.15Å; D652-N655 WeakPolarHBondContact OD1-CB 3.5Å; D652-N655 PolarHBondContact OD1-ND2 3.47Å; D652-N655 PolarHBondContact OD2-ND2 3.49Å; N655-Y657 VanDerWaalsContact C-N 3.31Å; N655-Y657 PolarHBondContact O-N 3.1Å; N655-Q658 PolarHBondContact O-N 3.29Å; N655-V659 WeakPolarHBondContact O-CB 3.38Å; N655-V659 VanDerWaalsContact O-CG2 3.31Å; N655-V659 WeakPolarHBondContact O-CG2 3.22Å; N655-V659 PolarHBondContact O-N 3.41Å
656	E	83	Confident	81.7	Confident	40 Å²	40	57.6 Å²	57.6	19%	0.187	29%	0.291	C	S	.	.	H	α-helix	trans	-59.6	-42.8	173.7	-175.6	173.6	-163.6	0	0	111.3	T648 L651 D652 R660	T648-E656 PolarHBondContact OG1-OE1 3.09Å; L651-E656 HydrophobicContact CB-CB 4.07Å; D652-E656 WeakPolarHBondContact O-CB 3.49Å; D652-E656 PolarHBondContact O-N 2.99Å; E656-R660 VanDerWaalsContact O-CB 3.23Å; E656-R660 WeakPolarHBondContact O-CB 3.45Å; E656-R660 PolarHBondContact O-N 2.86Å
657	Y	83.4	Confident	81.8	Confident	130 Å²	130	57.1 Å²	57.1	51%	0.51	29%	0.29	S	S	.	.	H	α-helix	trans	-61.2	-48.1	177	179.9	-87.3	0	0	0	112.3	T653 E654 N655 R660 E661	T653-Y657 WeakPolarHBondContact O-CB 3.5Å; T653-Y657 PolarHBondContact O-N 3.03Å; T653-Y657 VanDerWaalsContact O-N 3.09Å; E654-Y657 PolarHBondContact O-N 3.42Å; N655-Y657 VanDerWaalsContact C-N 3.31Å; N655-Y657 PolarHBondContact O-N 3.1Å; Y657-R660 WeakPolarHBondContact O-CB 3.38Å; Y657-R660 PolarHBondContact O-N 3.1Å; Y657-E661 PolarHBondContact O-N 3.19Å
658	Q	82.6	Confident	82.4	Confident	75 Å²	75	63.8 Å²	63.8	35%	0.35	32%	0.32	S	S	.	.	H	α-helix	trans	-64	-46.4	-178.8	-69	176.9	7.4	0	0	112.1	S598 E654 N655 R660 E661 A662	S598-Q658 WeakPolarHBondContact OG-CB 3.42Å; S598-Q658 PolarHBondContact OG-OE1 2.98Å; E654-Q658 WeakPolarHBondContact O-CG 3.35Å; E654-Q658 PolarHBondContact O-N 2.84Å; N655-Q658 PolarHBondContact O-N 3.29Å; Q658-R660 VanDerWaalsContact C-N 3.29Å; Q658-R660 PolarHBondContact O-N 3Å; Q658-E661 PolarHBondContact O-N 2.85Å; Q658-A662 PolarHBondContact O-N 3.5Å
659	V	85.7	Confident	82.8	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.006	35%	0.349	C	S	.	.	H	α-helix	trans	-59.6	-43.4	176.1	168.7	0	0	0	0	110.1	I631 T648 L651 N655 E661 A662 L663	I631-V659 HydrophobicContact CD1-CG1 3.98Å; T648-V659 HydrophobicContact CG2-CG1 4.49Å; L651-V659 HydrophobicContact CD1-CG2 4.27Å; N655-V659 WeakPolarHBondContact O-CB 3.38Å; N655-V659 VanDerWaalsContact O-CG2 3.31Å; N655-V659 WeakPolarHBondContact O-CG2 3.22Å; N655-V659 PolarHBondContact O-N 3.41Å; V659-E661 PolarHBondContact O-N 3.08Å; V659-A662 PolarHBondContact O-N 2.91Å; V659-L663 HydrophobicContact CG1-CD1 3.84Å; V659-L663 HydrophobicContact CG1-CG 4.31Å; V659-L663 VanDerWaalsContact O-CG 3.22Å; V659-L663 WeakPolarHBondContact O-CG 3.36Å; V659-L663 PolarHBondContact O-N 3.46Å
660	R	83.8	Confident	83.6	Confident	92 Å²	92	67.8 Å²	67.8	35%	0.347	34%	0.339	S	S	.	.	H	α-helix	trans	-61.6	-43.8	177.4	-177.5	-176.5	62.6	146.1	3.6	112.3	E656 Y657 Q658 A662 L663 S664	E656-R660 VanDerWaalsContact O-CB 3.23Å; E656-R660 WeakPolarHBondContact O-CB 3.45Å; E656-R660 PolarHBondContact O-N 2.86Å; Y657-R660 WeakPolarHBondContact O-CB 3.38Å; Y657-R660 PolarHBondContact O-N 3.1Å; Q658-R660 VanDerWaalsContact C-N 3.29Å; Q658-R660 PolarHBondContact O-N 3Å; R660-A662 VanDerWaalsContact C-N 3.31Å; R660-A662 PolarHBondContact O-N 3.06Å; R660-L663 PolarHBondContact O-N 2.96Å; R660-S664 PolarHBondContact O-N 2.85Å; R660-S664 PolarHBondContact O-OG 2.85Å
661	E	83.9	Confident	84.5	Confident	86 Å²	86	63 Å²	63	40%	0.402	31%	0.314	S	S	.	.	H	α-helix	trans	-60.8	-42.6	177.3	-164.9	-162.6	155.3	0	0	111.5	Y657 Q658 V659 S664 K665	Y657-E661 PolarHBondContact O-N 3.19Å; Q658-E661 PolarHBondContact O-N 2.85Å; V659-E661 PolarHBondContact O-N 3.08Å; E661-S664 PolarHBondContact O-N 3.35Å; E661-K665 PolarHBondContact O-N 3.4Å; E661-K665 WeakPolarHBondContact OE1-CE 3.46Å; E661-K665 IonicContact OE1-NZ 2.73Å; E661-K665 PolarHBondContact OE1-NZ 3.46Å
662	A	85.4	Confident	85.1	Confident	25 Å²	25	62.5 Å²	62.5	21%	0.207	31%	0.311	C	S	.	.	H	α-helix	trans	-62.7	-41.9	175.1	0	0	0	0	0	112	Q596 Q658 V659 R660 K665 L666	Q596-A662 HydrophobicContact CB-CB 4.39Å; Q596-A662 VanDerWaalsContact O-CB 3.29Å; Q596-A662 WeakPolarHBondContact O-CB 3.42Å; Q658-A662 PolarHBondContact O-N 3.5Å; V659-A662 PolarHBondContact O-N 2.91Å; R660-A662 VanDerWaalsContact C-N 3.31Å; R660-A662 PolarHBondContact O-N 3.06Å; A662-K665 PolarHBondContact O-N 3.43Å; A662-L666 PolarHBondContact O-N 2.77Å
663	L	85	Confident	85.6	Confident	5 Å²	5	59 Å²	59	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-65.6	-37.1	176.7	-69.9	170.3	0	0	0	112.7	L642 L644 V659 R660 L666 A667	L642-L663 HydrophobicContact CD2-CD2 3.38Å; L644-L663 HydrophobicContact CD1-CD1 3.36Å; L644-L663 HydrophobicContact CD1-CD2 3.95Å; L644-L663 HydrophobicContact CD1-CG 4.29Å; V659-L663 HydrophobicContact CG1-CD1 3.84Å; V659-L663 HydrophobicContact CG1-CG 4.31Å; V659-L663 VanDerWaalsContact O-CG 3.22Å; V659-L663 WeakPolarHBondContact O-CG 3.36Å; V659-L663 PolarHBondContact O-N 3.46Å; R660-L663 PolarHBondContact O-N 2.96Å; L663-L666 PolarHBondContact O-N 3.01Å; L663-A667 WeakPolarHBondContact O-CB 3.2Å; L663-A667 PolarHBondContact O-N 2.67Å
664	S	84.7	Confident	86.1	Confident	58 Å²	58	53.9 Å²	53.9	41%	0.406	26%	0.26	S	S	.	.	H	α-helix	trans	-62.9	-41.4	174.9	-64.2	0	0	0	0	112.1	R660 E661 L666 A667	R660-S664 PolarHBondContact O-N 2.85Å; R660-S664 PolarHBondContact O-OG 2.85Å; E661-S664 PolarHBondContact O-N 3.35Å; S664-L666 VanDerWaalsContact C-N 3.34Å; S664-A667 PolarHBondContact O-N 2.66Å
665	K	85.3	Confident	86.5	Confident	123 Å²	123	47.7 Å²	47.7	54%	0.535	23%	0.231	S	C	.	.	H	α-helix	trans	-65.2	-38.5	174	-67.3	172.7	-172.7	165.6	0	111.6	E661 A662 A667	E661-K665 PolarHBondContact O-N 3.4Å; E661-K665 WeakPolarHBondContact OE1-CE 3.46Å; E661-K665 IonicContact OE1-NZ 2.73Å; E661-K665 PolarHBondContact OE1-NZ 3.46Å; A662-K665 PolarHBondContact O-N 3.43Å; K665-A667 VanDerWaalsContact C-N 3.34Å
666	L	85.3	Confident	86.2	Confident	44 Å²	44	46.9 Å²	46.9	23%	0.23	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-36.7	176.6	-172.3	71.8	0	0	0	112.3	L635 L642 A662 L663 S664 E668 N669 C670	L635-L666 HydrophobicContact CD2-CD2 3.52Å; L642-L666 HydrophobicContact CD2-CD2 3.69Å; A662-L666 PolarHBondContact O-N 2.77Å; L663-L666 PolarHBondContact O-N 3.01Å; S664-L666 VanDerWaalsContact C-N 3.34Å; L666-E668 PolarHBondContact O-N 3.22Å; L666-E668 VanDerWaalsContact O-N 3.1Å; L666-N669 PolarHBondContact O-N 2.87Å; L666-N669 VanDerWaalsContact O-N 3.07Å; L666-C670 HydrophobicContact CG-CB 4.11Å; L666-C670 WeakPolarHBondContact O-CB 3.44Å; L666-C670 PolarHBondContact O-N 3.01Å
667	A	83.1	Confident	85.9	Confident	6 Å²	6	47.9 Å²	47.9	5%	0.05	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.6	-177.6	0	0	0	0	0	113.5	G510 I512 L663 S664 K665 N669 C670 V672	G510-A667 CarbonylContact C-O 3.46Å; G510-A667 WeakPolarHBondContact CA-O 3.26Å; I512-A667 HydrophobicContact CD1-CB 4.25Å; I512-A667 HydrophobicContact CG1-CB 3.65Å; L663-A667 WeakPolarHBondContact O-CB 3.2Å; L663-A667 PolarHBondContact O-N 2.67Å; S664-A667 PolarHBondContact O-N 2.66Å; K665-A667 VanDerWaalsContact C-N 3.34Å; A667-N669 PolarHBondContact O-N 3.44Å; A667-C670 CarbonylContact C-O 3.59Å; A667-C670 WeakPolarHBondContact CA-O 3.49Å; A667-V672 HydrophobicContact CB-CG2 3.85Å
668	E	83.1	Confident	85.4	Confident	141 Å²	141	44.6 Å²	44.6	66%	0.659	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-29.7	174.1	-64.3	-178.7	-179.7	0	0	112.7	L666	L666-E668 PolarHBondContact O-N 3.22Å; L666-E668 VanDerWaalsContact O-N 3.1Å
669	N	84.9	Confident	85.1	Confident	125 Å²	125	41.3 Å²	41.3	67%	0.668	21%	0.207	S	C	*	.	S	Bend	trans	-123.6	8.1	-175.8	-67.7	-61.3	0	0	0	113.6	L666 A667	L666-N669 PolarHBondContact O-N 2.87Å; L666-N669 VanDerWaalsContact O-N 3.07Å; A667-N669 PolarHBondContact O-N 3.44Å
670	C	91.2	Very high	84.5	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.014	23%	0.228	C	C	.	.	S	Bend	trans	-145.1	140.4	-173.8	-178.4	0	0	0	0	109.9	P639 K640 L666 A667	P639-C670 PolarHBondContact O-SG 3.31Å; K640-C670 PolarHBondContact O-SG 3.32Å; K640-C670 VanDerWaalsContact O-SG 3.35Å; L666-C670 HydrophobicContact CG-CB 4.11Å; L666-C670 WeakPolarHBondContact O-CB 3.44Å; L666-C670 PolarHBondContact O-N 3.01Å; A667-C670 CarbonylContact C-O 3.59Å; A667-C670 WeakPolarHBondContact CA-O 3.49Å
671	S	93.4	Very high	83.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	126.8	166.4	-57.6	0	0	0	0	109	G478 P509 K640 I641 L642	G478-S671 WeakPolarHBondContact O-CB 3.11Å; G478-S671 PolarHBondContact O-OG 2.98Å; P509-S671 WeakPolarHBondContact CA-OG 3.33Å; K640-S671 PolarHBondContact O-N 3.01Å; I641-S671 CarbonylContact C-O 3.59Å; I641-S671 VanDerWaalsContact CA-O 3.32Å; I641-S671 WeakPolarHBondContact CA-O 3.33Å; L642-S671 PolarHBondContact N-O 3.04Å
672	V	93.1	Very high	83.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.2	178.9	-176.1	0	0	0	0	109.5	Q511 I512 T513 L642 L644 A667 M674	Q511-V672 PolarHBondContact O-N 2.93Å; I512-V672 WeakPolarHBondContact CA-O 3.23Å; I512-V672 HydrophobicContact CG1-CB 4.15Å; I512-V672 HydrophobicContact CG2-CG1 4.45Å; T513-V672 PolarHBondContact N-O 3.46Å; L642-V672 HydrophobicContact CB-CG2 4.44Å; L642-V672 CarbonylContact O-C 2.97Å; L642-V672 WeakPolarHBondContact O-CA 3.5Å; L644-V672 HydrophobicContact CD1-CG1 4.44Å; A667-V672 HydrophobicContact CB-CG2 3.85Å; V672-M674 HydrophobicContact CG1-CG 4.01Å
673	L	93.6	Very high	83.4	Confident	10 Å²	10	39.6 Å²	39.6	5%	0.052	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	108.5	174.1	179.2	62.8	0	0	0	109.4	V507 T513 L515 L642 I643 L644	V507-L673 HydrophobicContact CG2-CD1 4.1Å; T513-L673 HydrophobicContact CG2-CD1 4.33Å; T513-L673 WeakPolarHBondContact O-CA 3.42Å; L515-L673 HydrophobicContact CB-CD1 4.01Å; L642-L673 PolarHBondContact O-N 3.32Å; I643-L673 WeakPolarHBondContact CA-O 3.4Å; I643-L673 HydrophobicContact CG1-CB 4.35Å; I643-L673 HydrophobicContact CG2-CB 4.45Å; I643-L673 HydrophobicContact CG2-CD2 4.25Å; I643-L673 HydrophobicContact CG2-CG 4.43Å; L644-L673 PolarHBondContact N-O 2.97Å
674	M	91.1	Very high	83	Confident	12 Å²	12	41.4 Å²	41.4	6%	0.059	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	122.2	176	-64.2	-170.2	82.3	0	0	110.1	I512 T513 A514 L515 L644 V672 V681	I512-M674 HydrophobicContact CG2-CG 3.97Å; I512-M674 HydrophobicContact CG2-SD 3.83Å; T513-M674 PolarHBondContact O-N 3.4Å; A514-M674 CarbonylContact C-O 3.48Å; A514-M674 VanDerWaalsContact CA-O 3.28Å; A514-M674 WeakPolarHBondContact CA-O 3.39Å; L515-M674 PolarHBondContact N-O 3.33Å; L644-M674 HydrophobicContact CB-CG 4.49Å; L644-M674 HydrophobicContact CD1-CE 3.99Å; L644-M674 HydrophobicContact CD1-CG 4.17Å; V672-M674 HydrophobicContact CG1-CG 4.01Å; M674-V681 HydrophobicContact CB-CG1 4.11Å; M674-V681 HydrophobicContact CE-CG1 3.51Å; M674-V681 HydrophobicContact SD-CG1 3.79Å
675	I	90.1	Very high	83	Confident	3 Å²	3	39 Å²	39	2%	0.015	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122	170.9	-63.9	164.4	0	0	0	106.8	L515 K523 V527 I643 L644 D645 N646	L515-I675 HydrophobicContact CB-CG1 4.04Å; L515-I675 HydrophobicContact CD2-CD1 4.38Å; L515-I675 HydrophobicContact CD2-CG1 4.14Å; L515-I675 HydrophobicContact CG-CG1 4.48Å; L515-I675 WeakPolarHBondContact O-CA 3.32Å; K523-I675 HydrophobicContact CB-CG2 3.71Å; K523-I675 HydrophobicContact CD-CG2 3.98Å; K523-I675 HydrophobicContact CG-CG2 4.44Å; V527-I675 HydrophobicContact CG2-CD1 3.02Å; V527-I675 HydrophobicContact CG2-CG1 4.5Å; I643-I675 HydrophobicContact CG2-CD1 4.37Å; L644-I675 PolarHBondContact O-N 3.39Å; D645-I675 HydrophobicContact CB-CB 4.47Å; D645-I675 HydrophobicContact CB-CD1 4.49Å; D645-I675 VanDerWaalsContact OD1-CG2 3.26Å; D645-I675 WeakPolarHBondContact OD1-CG2 3.49Å; N646-I675 PolarHBondContact N-O 2.84Å
676	S	79.1	Confident	83.1	Confident	6 Å²	6	41.6 Å²	41.6	4%	0.042	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	142.3	-178.6	-174.2	0	0	0	0	110.7	N646 K678 V681	N646-S676 VanDerWaalsContact OD1-CA 3.26Å; N646-S676 WeakPolarHBondContact OD1-CA 3.39Å; S676-K678 WeakPolarHBondContact OG-CA 3.24Å; S676-K678 WeakPolarHBondContact OG-CB 3.24Å; S676-K678 PolarHBondContact OG-N 3.47Å; S676-K678 PolarHBondContact OG-O 3.21Å; S676-V681 WeakPolarHBondContact OG-CG2 3.28Å
677	N	75.6	Confident	83.4	Confident	61 Å²	61	41.3 Å²	41.3	33%	0.326	20%	0.203	S	C	.	.	S	Bend	trans	-86.3	-16.3	160.8	65.3	0.3	0	0	0	112.3	N646 M679 Q719	N646-N677 PolarHBondContact OD1-N 2.95Å; N646-N677 VanDerWaalsContact OD1-N 3.1Å; N677-M679 WeakPolarHBondContact O-CE 3.46Å; N677-Q719 PolarHBondContact O-NE2 3.36Å
678	K	72.9	Confident	83.8	Confident	61 Å²	61	41 Å²	41	27%	0.265	20%	0.201	S	C	.	.			trans	-85.3	120.3	176.1	-60.2	-175.6	-175.9	177.1	0	110.1	S649 S676 S680 V681	S649-K678 PolarHBondContact O-NZ 2.91Å; S676-K678 WeakPolarHBondContact OG-CA 3.24Å; S676-K678 WeakPolarHBondContact OG-CB 3.24Å; S676-K678 PolarHBondContact OG-N 3.47Å; S676-K678 PolarHBondContact OG-O 3.21Å; K678-S680 PolarHBondContact O-N 3.37Å; K678-V681 HydrophobicContact CB-CG2 4.39Å; K678-V681 PolarHBondContact O-N 3.37Å
679	M	77	Confident	84.3	Confident	7 Å²	7	34.3 Å²	34.3	3%	0.034	17%	0.17	C	C	.	.	H	α-helix	trans	-68.3	-19.2	179.4	-66.3	-54.7	119.8	0	0	113.5	V516 N677 V681 A682 K683 Y712 M715 V716 Q719	V516-M679 HydrophobicContact CB-CE 4.18Å; V516-M679 HydrophobicContact CG1-CE 4.4Å; N677-M679 WeakPolarHBondContact O-CE 3.46Å; M679-V681 PolarHBondContact O-N 3.27Å; M679-A682 WeakPolarHBondContact O-CB 3.5Å; M679-A682 PolarHBondContact O-N 3.46Å; M679-A682 VanDerWaalsContact O-N 3.08Å; M679-K683 PolarHBondContact O-N 2.87Å; M679-Y712 HydrophobicContact SD-CE2 4.06Å; M679-M715 HydrophobicContact CE-CB 4.4Å; M679-M715 HydrophobicContact CE-SD 4.36Å; M679-M715 HydrophobicContact SD-CB 4.22Å; M679-V716 HydrophobicContact CB-CG2 4.01Å; M679-V716 HydrophobicContact CG-CG2 3.9Å; M679-V716 HydrophobicContact SD-CG2 4.27Å; M679-Q719 VanDerWaalsContact CG-OE1 3.22Å
680	S	72.8	Confident	84.7	Confident	64 Å²	64	28.4 Å²	28.4	45%	0.448	14%	0.138	S	C	.	.	H	α-helix	trans	-56.6	-34.4	173	53.5	0	0	0	0	112.9	K678	K678-S680 PolarHBondContact O-N 3.37Å
681	V	72.4	Confident	84.7	Confident	9 Å²	9	28.3 Å²	28.3	6%	0.055	14%	0.137	C	C	.	.	H	α-helix	trans	-70.7	-38.8	177.1	-179.2	0	0	0	0	110.7	M674 S676 K678 M679 K683 T684	M674-V681 HydrophobicContact CB-CG1 4.11Å; M674-V681 HydrophobicContact CE-CG1 3.51Å; M674-V681 HydrophobicContact SD-CG1 3.79Å; S676-V681 WeakPolarHBondContact OG-CG2 3.28Å; K678-V681 HydrophobicContact CB-CG2 4.39Å; K678-V681 PolarHBondContact O-N 3.37Å; M679-V681 PolarHBondContact O-N 3.27Å; V681-K683 VanDerWaalsContact C-N 3.28Å; V681-K683 PolarHBondContact O-N 3.48Å; V681-T684 PolarHBondContact O-N 3.19Å; V681-T684 VanDerWaalsContact O-N 3.15Å; V681-T684 PolarHBondContact O-OG1 3.4Å
682	A	78.3	Confident	84.5	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.4	-31.5	-179.8	0	0	0	0	0	113	A514 V516 M679 T684 A685 V688 Y712	A514-A682 HydrophobicContact CB-CB 4.42Å; V516-A682 HydrophobicContact CG1-CB 3.82Å; M679-A682 WeakPolarHBondContact O-CB 3.5Å; M679-A682 PolarHBondContact O-N 3.46Å; M679-A682 VanDerWaalsContact O-N 3.08Å; A682-T684 PolarHBondContact O-N 3.01Å; A682-T684 VanDerWaalsContact O-N 3.12Å; A682-A685 PolarHBondContact O-N 2.91Å; A682-V688 HydrophobicContact CB-CG1 4.5Å; A682-V688 HydrophobicContact CB-CG2 4.44Å; A682-Y712 HydrophobicContact CB-CE2 4.04Å; A682-Y712 VanDerWaalsContact CB-OH 3.3Å; A682-Y712 WeakPolarHBondContact CB-OH 3.4Å
683	K	80.1	Confident	84.2	Confident	94 Å²	94	35 Å²	35	41%	0.409	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.6	175.7	-65.9	-173.2	177.1	-177.4	0	113.5	M679 V681 E720	M679-K683 PolarHBondContact O-N 2.87Å; V681-K683 VanDerWaalsContact C-N 3.28Å; V681-K683 PolarHBondContact O-N 3.48Å; K683-E720 IonicContact NZ-OE1 2.71Å; K683-E720 PolarHBondContact NZ-OE1 3.5Å
684	T	76.1	Confident	84	Confident	44 Å²	44	34.6 Å²	34.6	27%	0.27	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-11.9	-173.8	66.3	0	0	0	0	113.2	V681 A682	V681-T684 PolarHBondContact O-N 3.19Å; V681-T684 VanDerWaalsContact O-N 3.15Å; V681-T684 PolarHBondContact O-OG1 3.4Å; A682-T684 PolarHBondContact O-N 3.01Å; A682-T684 VanDerWaalsContact O-N 3.12Å
685	A	85.1	Confident	84	Confident	7 Å²	7	36 Å²	36	6%	0.058	18%	0.18	C	C	.	.			trans	-81.7	138.8	178.1	0	0	0	0	0	110.4	I512 A514 A682 H687 V688	I512-A685 HydrophobicContact CG2-CB 4.16Å; A514-A685 HydrophobicContact CB-CB 3.46Å; A514-A685 VanDerWaalsContact CB-CB 3.46Å; A682-A685 PolarHBondContact O-N 2.91Å; A685-H687 WeakPolarHBondContact CB-O 3.44Å; A685-H687 PolarHBondContact O-N 3.5Å; A685-V688 HydrophobicContact CB-CG2 4.29Å
686	R	86.5	Confident	84.1	Confident	178 Å²	178	37.9 Å²	37.9	67%	0.672	19%	0.192	S	C	*	.	S	Bend	trans	-69.8	-24.7	172.6	-73	-173.5	176.8	152.2	0.1	111.7	G510 Q511 I512	G510-R686 PolarHBondContact O-NH1 3.35Å; Q511-R686 HydrophobicContact CB-CB 4.34Å; I512-R686 PolarHBondContact O-N 2.82Å; I512-R686 VanDerWaalsContact O-N 3.16Å
687	H	91.1	Very high	84.7	Confident	37 Å²	37	42.6 Å²	42.6	17%	0.171	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	127.9	-176.7	-170.4	-124.2	0	0	0	109.9	T513 A514 A685 E699	T513-H687 CarbonylContact C-O 3.17Å; T513-H687 VanDerWaalsContact CA-O 3.29Å; T513-H687 WeakPolarHBondContact CA-O 3.37Å; T513-H687 HydrophobicContact CG2-CB 4.38Å; A514-H687 PolarHBondContact N-O 3.31Å; A685-H687 WeakPolarHBondContact CB-O 3.44Å; A685-H687 PolarHBondContact O-N 3.5Å; H687-E699 IonicContact CE1-OE1 3.63Å; H687-E699 PolarHBondContact CE1-OE1 3.47Å; H687-E699 WeakPolarHBondContact NE2-CG 3.24Å; H687-E699 IonicContact NE2-OE1 3.72Å; H687-E699 PolarHBondContact NE2-OE1 3.28Å
688	V	93.3	Very high	85.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.9	-178.1	-178.5	0	0	0	0	108.5	A514 V516 A682 A685 V690 E699 G700 L705 Y712	A514-V688 HydrophobicContact CB-CG2 4.39Å; A514-V688 CarbonylContact O-C 3.56Å; A514-V688 WeakPolarHBondContact O-CA 3.43Å; V516-V688 HydrophobicContact CG2-CG1 3.69Å; A682-V688 HydrophobicContact CB-CG1 4.5Å; A682-V688 HydrophobicContact CB-CG2 4.44Å; A685-V688 HydrophobicContact CB-CG2 4.29Å; V688-V690 HydrophobicContact CG1-CG2 4.38Å; V688-E699 WeakPolarHBondContact O-CA 3.28Å; V688-G700 PolarHBondContact N-O 3.21Å; V688-G700 PolarHBondContact O-N 3.11Å; V688-L705 HydrophobicContact CB-CD1 3.76Å; V688-L705 HydrophobicContact CG1-CD1 3.81Å; V688-Y712 HydrophobicContact CG1-CD2 4.13Å; V688-Y712 HydrophobicContact CG1-CE2 3.71Å
689	I	93.4	Very high	86.4	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121.7	178.4	-50.9	-175.3	0	0	0	107.8	L505 T513 A514 L515 V516 V696 E699	L505-I689 HydrophobicContact CB-CD1 3.86Å; L505-I689 HydrophobicContact CB-CG2 4.4Å; T513-I689 HydrophobicContact CG2-CD1 3.78Å; T513-I689 HydrophobicContact CG2-CG1 4Å; A514-I689 PolarHBondContact O-N 3.42Å; L515-I689 WeakPolarHBondContact CA-O 3.12Å; L515-I689 HydrophobicContact CD1-CB 4Å; L515-I689 HydrophobicContact CD1-CG2 3.95Å; V516-I689 PolarHBondContact N-O 3.15Å; I689-V696 HydrophobicContact CG2-CG1 3.8Å; I689-V696 HydrophobicContact CG2-CG2 4.33Å; I689-E699 HydrophobicContact CG1-CG 4.23Å
690	V	92.3	Very high	87.1	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	112.2	-176.5	-170.6	0	0	0	0	109.2	V516 V688 E697 E698 L705 L711 Y712 M715	V516-V690 HydrophobicContact CG2-CB 4.32Å; V516-V690 HydrophobicContact CG2-CG1 4.44Å; V516-V690 HydrophobicContact CG2-CG2 3.84Å; V688-V690 HydrophobicContact CG1-CG2 4.38Å; V690-E697 PolarHBondContact O-N 2.91Å; V690-E698 HydrophobicContact CB-CB 3.99Å; V690-E698 HydrophobicContact CG2-CB 3.88Å; V690-E698 PolarHBondContact N-O 3.29Å; V690-L705 HydrophobicContact CG2-CD1 4.07Å; V690-L711 HydrophobicContact CG1-CD2 4.1Å; V690-Y712 HydrophobicContact CG2-CD2 3.87Å; V690-Y712 HydrophobicContact CG2-CG 4.27Å; V690-M715 HydrophobicContact CG1-CE 4.42Å
691	L	91.5	Very high	87.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.6	179.9	-164.6	76.9	0	0	0	110.3	L500 V503 L515 V516 G517 S521 K523 T695 V696	L500-L691 HydrophobicContact CD2-CD2 4.47Å; V503-L691 HydrophobicContact CG1-CD1 4.44Å; V503-L691 HydrophobicContact CG2-CD1 4.13Å; L515-L691 HydrophobicContact CD1-CB 4.05Å; V516-L691 PolarHBondContact O-N 3Å; G517-L691 WeakPolarHBondContact CA-O 3.41Å; S521-L691 WeakPolarHBondContact CB-O 3.38Å; S521-L691 WeakPolarHBondContact O-CD2 3.11Å; S521-L691 WeakPolarHBondContact O-CG 3.38Å; S521-L691 PolarHBondContact OG-O 3.27Å; K523-L691 HydrophobicContact CG-CB 4.46Å; K523-L691 HydrophobicContact CG-CD2 4.01Å; L691-T695 WeakPolarHBondContact CA-O 3.4Å; L691-T695 WeakPolarHBondContact CD1-O 3.37Å; L691-V696 HydrophobicContact CD1-CG2 3.98Å
692	N	89.9	Confident	88.8	Confident	30 Å²	30	42.6 Å²	42.6	16%	0.16	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	131.6	177.6	-169.6	25.5	0	0	0	110.2	G694 T695 E697 L711	N692-G694 PolarHBondContact O-N 2.93Å; N692-T695 PolarHBondContact N-O 3.25Å; N692-T695 PolarHBondContact O-N 2.98Å; N692-T695 PolarHBondContact O-OG1 3.17Å; N692-E697 HydrophobicContact CB-CG 3.58Å; N692-L711 HydrophobicContact CB-CD2 3.78Å
693	N	87.2	Confident	89.3	Confident	112 Å²	112	47.8 Å²	47.8	60%	0.599	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.9	31.8	176.7	-68.1	-24.3	0	0	0	116.2
694	G	87.7	Confident	89.8	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	5.9	-179.7	0	0	0	0	0	115.8	V499 K501 V503 S521 N692	V499-G694 WeakPolarHBondContact O-CA 3.47Å; K501-G694 PolarHBondContact N-O 2.94Å; V503-G694 WeakPolarHBondContact CG2-O 3.07Å; S521-G694 WeakPolarHBondContact O-CA 3.46Å; S521-G694 PolarHBondContact O-N 3Å; S521-G694 VanDerWaalsContact O-N 3.11Å; N692-G694 PolarHBondContact O-N 2.93Å
695	T	91.1	Very high	90.5	Very high	42 Å²	42	42.9 Å²	42.9	26%	0.258	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	148.9	175.9	44.5	0	0	0	0	111	K501 L691 N692 E697	K501-T695 HydrophobicContact CB-CG2 3.89Å; L691-T695 WeakPolarHBondContact CA-O 3.4Å; L691-T695 WeakPolarHBondContact CD1-O 3.37Å; N692-T695 PolarHBondContact N-O 3.25Å; N692-T695 PolarHBondContact O-N 2.98Å; N692-T695 PolarHBondContact O-OG1 3.17Å; T695-E697 PolarHBondContact OG1-OE1 3.49Å
696	V	92.8	Very high	90.7	Very high	42 Å²	42	45.4 Å²	45.4	26%	0.255	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	114.1	170	179.7	0	0	0	0	107.2	V503 T504 I689 L691	V503-V696 HydrophobicContact CG1-CG2 3.87Å; T504-V696 WeakPolarHBondContact O-CG2 3.47Å; I689-V696 HydrophobicContact CG2-CG1 3.8Å; I689-V696 HydrophobicContact CG2-CG2 4.33Å; L691-V696 HydrophobicContact CD1-CG2 3.98Å
697	E	91.4	Very high	90.9	Very high	106 Å²	106	45 Å²	45	50%	0.495	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-41.4	-176.9	-64.8	-64.5	147.8	0	0	111.8	V690 N692 T695 L711	V690-E697 PolarHBondContact O-N 2.91Å; N692-E697 HydrophobicContact CB-CG 3.58Å; T695-E697 PolarHBondContact OG1-OE1 3.49Å; E697-L711 HydrophobicContact CG-CD2 4.47Å
698	E	91.9	Very high	90.9	Very high	32 Å²	32	50 Å²	50	15%	0.15	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	145.7	-175	-68.5	172.3	-152	0	0	111	V690 L705 G710 L711 Y712	V690-E698 HydrophobicContact CB-CB 3.99Å; V690-E698 HydrophobicContact CG2-CB 3.88Å; V690-E698 PolarHBondContact N-O 3.29Å; E698-L705 HydrophobicContact CB-CD2 3.86Å; E698-G710 VanDerWaalsContact OE1-CA 3.23Å; E698-G710 WeakPolarHBondContact OE1-CA 3.27Å; E698-L711 WeakPolarHBondContact OE1-CB 3.22Å; E698-L711 PolarHBondContact OE1-N 2.66Å; E698-Y712 VanDerWaalsContact OE2-CB 3.29Å; E698-Y712 WeakPolarHBondContact OE2-CB 3.26Å; E698-Y712 PolarHBondContact OE2-N 2.84Å
699	E	92.4	Very high	90.5	Very high	74 Å²	74	52.1 Å²	52.1	35%	0.346	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	139.8	178.5	-175.2	169.8	-138.5	0	0	109.5	H687 V688 I689	H687-E699 IonicContact CE1-OE1 3.63Å; H687-E699 PolarHBondContact CE1-OE1 3.47Å; H687-E699 WeakPolarHBondContact NE2-CG 3.24Å; H687-E699 IonicContact NE2-OE1 3.72Å; H687-E699 PolarHBondContact NE2-OE1 3.28Å; V688-E699 WeakPolarHBondContact O-CA 3.28Å; I689-E699 HydrophobicContact CG1-CG 4.23Å
700	G	91.3	Very high	90.4	Very high	18 Å²	18	53 Å²	53	19%	0.186	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.4	-170.1	-179.4	0	0	0	0	0	114	V688	V688-G700 PolarHBondContact N-O 3.21Å; V688-G700 PolarHBondContact O-N 3.11Å
701	S	91	Very high	90.2	Very high	49 Å²	49	55 Å²	55	34%	0.343	30%	0.303	S	S	.	.			trans	-77.7	162	169.2	64.9	0	0	0	0	111	D703 A704 L705	S701-D703 VanDerWaalsContact C-N 3.32Å; S701-D703 PolarHBondContact O-N 3.36Å; S701-A704 PolarHBondContact O-N 3.46Å; S701-A704 WeakPolarHBondContact OG-CB 3.31Å; S701-A704 PolarHBondContact OG-N 2.99Å; S701-L705 WeakPolarHBondContact O-CG 3.4Å; S701-L705 PolarHBondContact O-N 3.2Å
702	H	89.5	Confident	90.1	Very high	29 Å²	29	55 Å²	55	13%	0.134	30%	0.303	C	S	.	.	H	α-helix	trans	-49.7	-52.7	176	176	63.7	0	0	0	112	A704 L705 M706 Y712	H702-A704 PolarHBondContact O-N 2.91Å; H702-L705 PolarHBondContact O-N 3.18Å; H702-M706 VanDerWaalsContact O-CG 3.31Å; H702-M706 WeakPolarHBondContact O-CG 3.39Å; H702-M706 PolarHBondContact O-N 3.33Å; H702-Y712 AromaticContact CE1-CE1 3.95Å; H702-Y712 AromaticContact ND1-CE1 3.43Å; H702-Y712 WeakPolarHBondContact ND1-CE1 3.44Å; H702-Y712 AromaticContact ND1-CZ 3.53Å; H702-Y712 PolarHBondContact ND1-OH 3.45Å
703	D	89.6	Confident	90	Very high	108 Å²	108	53.6 Å²	53.6	58%	0.578	30%	0.296	S	S	*	.	H	α-helix	trans	-64.3	-43.1	-176.1	-54	-42.5	0	0	0	111.6	S701 L705 M706 E707	S701-D703 VanDerWaalsContact C-N 3.32Å; S701-D703 PolarHBondContact O-N 3.36Å; D703-L705 VanDerWaalsContact C-N 3.33Å; D703-L705 PolarHBondContact O-N 3.15Å; D703-M706 PolarHBondContact O-N 3.45Å; D703-E707 WeakPolarHBondContact O-CG 3.32Å; D703-E707 PolarHBondContact O-N 3.34Å
704	A	91.1	Very high	90	Very high	36 Å²	36	53 Å²	53	30%	0.298	29%	0.29	S	S	.	.	H	α-helix	trans	-63.8	-36.9	178.7	0	0	0	0	0	112.6	S701 H702 K708	S701-A704 PolarHBondContact O-N 3.46Å; S701-A704 WeakPolarHBondContact OG-CB 3.31Å; S701-A704 PolarHBondContact OG-N 2.99Å; H702-A704 PolarHBondContact O-N 2.91Å; A704-K708 WeakPolarHBondContact O-CG 3.23Å; A704-K708 PolarHBondContact O-N 3.47Å; A704-K708 VanDerWaalsContact O-N 3.15Å
705	L	90.6	Very high	89.8	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-75	-32.5	176.8	-67.4	-177.7	0	0	0	112.5	V688 V690 E698 S701 H702 D703 K708 Y712	V688-L705 HydrophobicContact CB-CD1 3.76Å; V688-L705 HydrophobicContact CG1-CD1 3.81Å; V690-L705 HydrophobicContact CG2-CD1 4.07Å; E698-L705 HydrophobicContact CB-CD2 3.86Å; S701-L705 WeakPolarHBondContact O-CG 3.4Å; S701-L705 PolarHBondContact O-N 3.2Å; H702-L705 PolarHBondContact O-N 3.18Å; D703-L705 VanDerWaalsContact C-N 3.33Å; D703-L705 PolarHBondContact O-N 3.15Å; L705-K708 HydrophobicContact CD2-CD 4.28Å; L705-Y712 HydrophobicContact CB-CD1 3.34Å; L705-Y712 HydrophobicContact CB-CE1 3.96Å; L705-Y712 HydrophobicContact CB-CG 3.82Å; L705-Y712 HydrophobicContact CD1-CD1 4.14Å; L705-Y712 HydrophobicContact CD1-CD2 4.23Å; L705-Y712 HydrophobicContact CD1-CG 3.95Å; L705-Y712 HydrophobicContact CG-CD1 4.4Å
706	M	89.4	Confident	89.6	Confident	59 Å²	59	52 Å²	52	29%	0.291	28%	0.282	S	S	.	.	H	α-helix	trans	-66.9	-40.6	173.2	-71.6	-60.8	-68.1	0	0	111.7	H702 D703 G709 Y712 V716	H702-M706 VanDerWaalsContact O-CG 3.31Å; H702-M706 WeakPolarHBondContact O-CG 3.39Å; H702-M706 PolarHBondContact O-N 3.33Å; D703-M706 PolarHBondContact O-N 3.45Å; M706-G709 PolarHBondContact O-N 3.46Å; M706-Y712 HydrophobicContact CG-CD1 4.4Å; M706-Y712 HydrophobicContact CG-CE1 4.07Å; M706-Y712 HydrophobicContact SD-CD1 4.07Å; M706-Y712 HydrophobicContact SD-CE1 3.95Å; M706-V716 HydrophobicContact CE-CB 4.34Å; M706-V716 HydrophobicContact CE-CG1 4.06Å; M706-V716 HydrophobicContact SD-CB 3.9Å; M706-V716 HydrophobicContact SD-CG1 4.02Å; M706-V716 HydrophobicContact SD-CG2 3.85Å
707	E	90.7	Very high	89.3	Confident	171 Å²	171	55.1 Å²	55.1	80%	0.799	29%	0.293	S	S	*	.	H	α-helix	trans	-66.7	-37.8	176.1	-75.1	179.7	-179.6	0	0	112.9	D703 G709	D703-E707 WeakPolarHBondContact O-CG 3.32Å; D703-E707 PolarHBondContact O-N 3.34Å; E707-G709 PolarHBondContact O-N 3.3Å; E707-G709 VanDerWaalsContact O-N 3.16Å
708	K	89.8	Confident	88.9	Confident	141 Å²	141	56.9 Å²	56.9	61%	0.613	30%	0.299	S	S	*	.	H	α-helix	trans	-60.2	-22.9	175.5	-81.8	179.3	-177.2	177.4	0	113.2	A704 L705 G710	A704-K708 WeakPolarHBondContact O-CG 3.23Å; A704-K708 PolarHBondContact O-N 3.47Å; A704-K708 VanDerWaalsContact O-N 3.15Å; L705-K708 HydrophobicContact CD2-CD 4.28Å; K708-G710 PolarHBondContact O-N 3.21Å
709	G	86.1	Confident	88.1	Confident	44 Å²	44	59.3 Å²	59.3	45%	0.454	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	20.2	177.7	0	0	0	0	0	114.4	M706 E707 S713	M706-G709 PolarHBondContact O-N 3.46Å; E707-G709 PolarHBondContact O-N 3.3Å; E707-G709 VanDerWaalsContact O-N 3.16Å; G709-S713 WeakPolarHBondContact CA-OG 3.41Å; G709-S713 PolarHBondContact O-OG 3.24Å
710	G	90.4	Very high	87.3	Confident	19 Å²	19	60.1 Å²	60.1	20%	0.196	31%	0.314	C	S	.	.	S	Bend	trans	-83.6	-159.1	-177.7	0	0	0	0	0	114	E698 K708 Y712 S713 E714	E698-G710 VanDerWaalsContact OE1-CA 3.23Å; E698-G710 WeakPolarHBondContact OE1-CA 3.27Å; K708-G710 PolarHBondContact O-N 3.21Å; G710-Y712 PolarHBondContact O-N 2.96Å; G710-S713 PolarHBondContact O-N 2.89Å; G710-S713 PolarHBondContact O-OG 2.84Å; G710-E714 PolarHBondContact O-N 3.48Å
711	L	87.8	Confident	86	Confident	42 Å²	42	65.2 Å²	65.2	22%	0.22	33%	0.333	C	S	.	.	H	α-helix	trans	-55	-38.7	-179.7	-178.7	67.6	0	0	0	111.9	V690 N692 E697 E698 E714 M715	V690-L711 HydrophobicContact CG1-CD2 4.1Å; N692-L711 HydrophobicContact CB-CD2 3.78Å; E697-L711 HydrophobicContact CG-CD2 4.47Å; E698-L711 WeakPolarHBondContact OE1-CB 3.22Å; E698-L711 PolarHBondContact OE1-N 2.66Å; L711-E714 PolarHBondContact O-N 3.33Å; L711-M715 HydrophobicContact CD1-CE 3.91Å; L711-M715 HydrophobicContact CD2-CE 3.69Å; L711-M715 HydrophobicContact CG-CE 3.6Å; L711-M715 WeakPolarHBondContact O-CG 3.3Å; L711-M715 PolarHBondContact O-N 3.45Å
712	Y	89.4	Confident	84.3	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-58.1	-49.8	175.5	-177.6	-106.8	0	0	0	111.9	V516 M679 A682 V688 V690 E698 H702 L705 M706 G710 E714 M715 V716	V516-Y712 HydrophobicContact CG2-CD2 4.09Å; V516-Y712 HydrophobicContact CG2-CE2 4.13Å; M679-Y712 HydrophobicContact SD-CE2 4.06Å; A682-Y712 HydrophobicContact CB-CE2 4.04Å; A682-Y712 VanDerWaalsContact CB-OH 3.3Å; A682-Y712 WeakPolarHBondContact CB-OH 3.4Å; V688-Y712 HydrophobicContact CG1-CD2 4.13Å; V688-Y712 HydrophobicContact CG1-CE2 3.71Å; V690-Y712 HydrophobicContact CG2-CD2 3.87Å; V690-Y712 HydrophobicContact CG2-CG 4.27Å; E698-Y712 VanDerWaalsContact OE2-CB 3.29Å; E698-Y712 WeakPolarHBondContact OE2-CB 3.26Å; E698-Y712 PolarHBondContact OE2-N 2.84Å; H702-Y712 AromaticContact CE1-CE1 3.95Å; H702-Y712 AromaticContact ND1-CE1 3.43Å; H702-Y712 WeakPolarHBondContact ND1-CE1 3.44Å; H702-Y712 AromaticContact ND1-CZ 3.53Å; H702-Y712 PolarHBondContact ND1-OH 3.45Å; L705-Y712 HydrophobicContact CB-CD1 3.34Å; L705-Y712 HydrophobicContact CB-CE1 3.96Å; L705-Y712 HydrophobicContact CB-CG 3.82Å; L705-Y712 HydrophobicContact CD1-CD1 4.14Å; L705-Y712 HydrophobicContact CD1-CD2 4.23Å; L705-Y712 HydrophobicContact CD1-CG 3.95Å; L705-Y712 HydrophobicContact CG-CD1 4.4Å; M706-Y712 HydrophobicContact CG-CD1 4.4Å; M706-Y712 HydrophobicContact CG-CE1 4.07Å; M706-Y712 HydrophobicContact SD-CD1 4.07Å; M706-Y712 HydrophobicContact SD-CE1 3.95Å; G710-Y712 PolarHBondContact O-N 2.96Å; Y712-E714 VanDerWaalsContact C-N 3.28Å; Y712-E714 PolarHBondContact O-N 3.25Å; Y712-M715 PolarHBondContact O-N 2.9Å; Y712-M715 VanDerWaalsContact O-N 3.13Å; Y712-V716 HydrophobicContact CD1-CG2 4.19Å; Y712-V716 HydrophobicContact CE1-CG2 3.81Å; Y712-V716 HydrophobicContact CE2-CG2 4.23Å; Y712-V716 WeakPolarHBondContact O-CG2 3.47Å; Y712-V716 PolarHBondContact O-N 3.44Å
713	S	88.6	Confident	82.4	Confident	2 Å²	2	74 Å²	74	1%	0.014	39%	0.385	C	S	.	.	H	α-helix	trans	-62.4	-37	-178.1	86.1	0	0	0	0	111.7	G709 G710 V716 K717	G709-S713 WeakPolarHBondContact CA-OG 3.41Å; G709-S713 PolarHBondContact O-OG 3.24Å; G710-S713 PolarHBondContact O-N 2.89Å; G710-S713 PolarHBondContact O-OG 2.84Å; S713-V716 PolarHBondContact O-N 2.88Å; S713-K717 WeakPolarHBondContact O-CB 3.46Å; S713-K717 VanDerWaalsContact O-CG 3.31Å; S713-K717 WeakPolarHBondContact O-CG 3.46Å; S713-K717 PolarHBondContact O-N 2.95Å
714	E	87	Confident	80	Confident	100 Å²	100	77.2 Å²	77.2	47%	0.467	39%	0.394	S	S	.	.	H	α-helix	trans	-65.3	-41.7	175.3	-68.3	-172.9	179.9	0	0	111.9	G710 L711 Y712 V716 K717 K718	G710-E714 PolarHBondContact O-N 3.48Å; L711-E714 PolarHBondContact O-N 3.33Å; Y712-E714 VanDerWaalsContact C-N 3.28Å; Y712-E714 PolarHBondContact O-N 3.25Å; E714-V716 VanDerWaalsContact C-N 3.34Å; E714-K717 PolarHBondContact O-N 3.31Å; E714-K718 WeakPolarHBondContact O-CB 3.27Å; E714-K718 WeakPolarHBondContact O-CG 3.46Å; E714-K718 PolarHBondContact O-N 3.44Å
715	M	84.8	Confident	77.4	Confident	18 Å²	18	86.5 Å²	86.5	9%	0.089	42%	0.421	C	S	.	.	H	α-helix	trans	-63.7	-41.1	176.9	-68.8	-165.8	-162.2	0	0	111.7	L518 M679 V690 L711 Y712 Q719	L518-M715 HydrophobicContact CD2-CE 4.15Å; L518-M715 HydrophobicContact CD2-SD 4.39Å; L518-M715 HydrophobicContact CG-CE 3.78Å; M679-M715 HydrophobicContact CE-CB 4.4Å; M679-M715 HydrophobicContact CE-SD 4.36Å; M679-M715 HydrophobicContact SD-CB 4.22Å; V690-M715 HydrophobicContact CG1-CE 4.42Å; L711-M715 HydrophobicContact CD1-CE 3.91Å; L711-M715 HydrophobicContact CD2-CE 3.69Å; L711-M715 HydrophobicContact CG-CE 3.6Å; L711-M715 WeakPolarHBondContact O-CG 3.3Å; L711-M715 PolarHBondContact O-N 3.45Å; Y712-M715 PolarHBondContact O-N 2.9Å; Y712-M715 VanDerWaalsContact O-N 3.13Å; M715-Q719 PolarHBondContact O-N 2.89Å
716	V	86.5	Confident	74.8	Confident	1 Å²	1	91.8 Å²	91.8	1%	0.006	46%	0.456	C	S	.	.	H	α-helix	trans	-63.3	-51.1	176.3	178.1	0	0	0	0	110.4	M679 M706 Y712 S713 E714 K718 Q719 E720	M679-V716 HydrophobicContact CB-CG2 4.01Å; M679-V716 HydrophobicContact CG-CG2 3.9Å; M679-V716 HydrophobicContact SD-CG2 4.27Å; M706-V716 HydrophobicContact CE-CB 4.34Å; M706-V716 HydrophobicContact CE-CG1 4.06Å; M706-V716 HydrophobicContact SD-CB 3.9Å; M706-V716 HydrophobicContact SD-CG1 4.02Å; M706-V716 HydrophobicContact SD-CG2 3.85Å; Y712-V716 HydrophobicContact CD1-CG2 4.19Å; Y712-V716 HydrophobicContact CE1-CG2 3.81Å; Y712-V716 HydrophobicContact CE2-CG2 4.23Å; Y712-V716 WeakPolarHBondContact O-CG2 3.47Å; Y712-V716 PolarHBondContact O-N 3.44Å; S713-V716 PolarHBondContact O-N 2.88Å; E714-V716 VanDerWaalsContact C-N 3.34Å; V716-K718 PolarHBondContact O-N 3.23Å; V716-Q719 PolarHBondContact O-N 3.4Å; V716-E720 HydrophobicContact CG1-CG 4.44Å; V716-E720 WeakPolarHBondContact O-CG 3.39Å; V716-E720 PolarHBondContact O-N 3.44Å
717	K	85.5	Confident	72.5	Confident	109 Å²	109	95.3 Å²	95.3	47%	0.474	48%	0.48	S	S	.	.	H	α-helix	trans	-59.5	-47.1	179.8	-72.7	173.3	-176.1	173.3	0	112.3	S713 E714 Q719 E720 E721	S713-K717 WeakPolarHBondContact O-CB 3.46Å; S713-K717 VanDerWaalsContact O-CG 3.31Å; S713-K717 WeakPolarHBondContact O-CG 3.46Å; S713-K717 PolarHBondContact O-N 2.95Å; E714-K717 PolarHBondContact O-N 3.31Å; K717-Q719 VanDerWaalsContact C-N 3.3Å; K717-Q719 PolarHBondContact O-N 2.74Å; K717-E720 PolarHBondContact O-N 3.31Å; K717-E720 VanDerWaalsContact O-N 3.14Å; K717-E721 WeakPolarHBondContact O-CB 3.45Å; K717-E721 VanDerWaalsContact O-CG 3.31Å; K717-E721 WeakPolarHBondContact O-CG 3.29Å; K717-E721 PolarHBondContact O-N 3.42Å
718	K	83.4	Confident	70	Confident	143 Å²	143	94.6 Å²	94.6	62%	0.622	48%	0.482	S	S	*	.	H	α-helix	trans	-60.6	-38.1	178.4	-77	-179.9	-174.5	171	0	112.9	E714 V716 G722	E714-K718 WeakPolarHBondContact O-CB 3.27Å; E714-K718 WeakPolarHBondContact O-CG 3.46Å; E714-K718 PolarHBondContact O-N 3.44Å; V716-K718 PolarHBondContact O-N 3.23Å; K718-G722 PolarHBondContact O-N 3.13Å; K718-G722 VanDerWaalsContact O-N 3.14Å
719	Q	76.1	Confident	67.9	Low	82 Å²	82	96.7 Å²	96.7	38%	0.383	49%	0.494	S	S	.	.	H	α-helix	trans	-71.8	-35.6	175.7	-79.3	-165.6	-15.9	0	0	112.5	N677 M679 M715 V716 K717 F723	N677-Q719 PolarHBondContact O-NE2 3.36Å; M679-Q719 VanDerWaalsContact CG-OE1 3.22Å; M715-Q719 PolarHBondContact O-N 2.89Å; V716-Q719 PolarHBondContact O-N 3.4Å; K717-Q719 VanDerWaalsContact C-N 3.3Å; K717-Q719 PolarHBondContact O-N 2.74Å; Q719-F723 WeakPolarHBondContact O-CD2 3.44Å
720	E	74.8	Confident	65.7	Low	92 Å²	92	100 Å²	100	43%	0.43	51%	0.51	S	S	.	.	H	α-helix	trans	-73	-34.8	176.5	-70.4	-178.6	169.5	0	0	112.5	K683 V716 K717 F723	K683-E720 IonicContact NZ-OE1 2.71Å; K683-E720 PolarHBondContact NZ-OE1 3.5Å; V716-E720 HydrophobicContact CG1-CG 4.44Å; V716-E720 WeakPolarHBondContact O-CG 3.39Å; V716-E720 PolarHBondContact O-N 3.44Å; K717-E720 PolarHBondContact O-N 3.31Å; K717-E720 VanDerWaalsContact O-N 3.14Å; E720-F723 PolarHBondContact O-N 3.23Å
721	E	64.3	Low	63.2	Low	125 Å²	125	104.7 Å²	104.7	58%	0.584	54%	0.54	S	S	*	.	H	α-helix	trans	-69.8	-37.1	175.5	-75	171.2	-175.8	0	0	112.3	K717 F723 K724	K717-E721 WeakPolarHBondContact O-CB 3.45Å; K717-E721 VanDerWaalsContact O-CG 3.31Å; K717-E721 WeakPolarHBondContact O-CG 3.29Å; K717-E721 PolarHBondContact O-N 3.42Å; E721-F723 PolarHBondContact O-N 3.34Å; E721-F723 VanDerWaalsContact O-N 3.11Å; E721-K724 PolarHBondContact O-N 3.06Å
722	G	55	Low	60.9	Low	71 Å²	71	110.6 Å²	110.6	73%	0.732	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-19	174.2	0	0	0	0	0	114.4	K718	K718-G722 PolarHBondContact O-N 3.13Å; K718-G722 VanDerWaalsContact O-N 3.14Å
723	F	50.6	Low	58.4	Low	192 Å²	192	119.6 Å²	119.6	84%	0.842	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-17.1	174	-89.4	-86.8	0	0	0	113.9	Q719 E720 E721 R725	Q719-F723 WeakPolarHBondContact O-CD2 3.44Å; E720-F723 PolarHBondContact O-N 3.23Å; E721-F723 PolarHBondContact O-N 3.34Å; E721-F723 VanDerWaalsContact O-N 3.11Å; F723-R725 PolarHBondContact O-N 3.47Å
724	K	39.2	Very low	55.8	Low	174 Å²	174	132.4 Å²	132.4	76%	0.757	67%	0.674	S	S	*	*			trans	-93.2	88.8	175.5	-73.5	-177.2	178	178	0	109.5	E721	E721-K724 PolarHBondContact O-N 3.06Å
725	R	35.5	Very low	54.2	Low	232 Å²	232	134.1 Å²	134.1	88%	0.875	68%	0.684	S	S	*	*			trans	-56.6	133.5	156.4	-92.6	-178.4	174.7	166.6	-2	107.7	F723 T727	F723-R725 PolarHBondContact O-N 3.47Å; R725-T727 PolarHBondContact O-N 3.2Å
726	P	37.1	Very low	52.6	Low	111 Å²	111	140.2 Å²	140.2	72%	0.721	72%	0.715	S	S	*	*			trans	-60	116.5	166.7	-8.4	22.5	0	0	0	106.8	D728	P726-D728 PolarHBondContact O-N 3.16Å; P726-D728 VanDerWaalsContact O-N 3.17Å
727	T	39.6	Very low	50.8	Low	132 Å²	132	147.9 Å²	147.9	81%	0.81	76%	0.755	S	S	*	*			trans	-68.6	103	157.9	33.9	0	0	0	0	105.8	R725 E729	R725-T727 PolarHBondContact O-N 3.2Å; T727-E729 VanDerWaalsContact C-N 3.27Å; T727-E729 PolarHBondContact O-N 2.82Å
728	D	38.9	Very low	48.7	Very low	157 Å²	157	150.2 Å²	150.2	84%	0.84	77%	0.771	S	S	*	*			trans	-62.8	91.1	169.4	-77.6	-31.1	0	0	0	108.7	P726 S730	P726-D728 PolarHBondContact O-N 3.16Å; P726-D728 VanDerWaalsContact O-N 3.17Å; D728-S730 PolarHBondContact O-N 3.39Å
729	E	44.8	Very low	46.5	Very low	185 Å²	185	150.6 Å²	150.6	86%	0.864	78%	0.781	S	S	*	*			trans	-77.2	100	147.3	-78	-174.2	163.9	0	0	107.2	T727	T727-E729 VanDerWaalsContact C-N 3.27Å; T727-E729 PolarHBondContact O-N 2.82Å
730	S	41.7	Very low	44.6	Very low	113 Å²	113	155.2 Å²	155.2	79%	0.79	81%	0.807	S	S	*	*			trans	153.4	102.3	138.8	65	0	0	0	0	111.7	D728	D728-S730 PolarHBondContact O-N 3.39Å
731	S	35.9	Very low	42.4	Very low	118 Å²	118	159.7 Å²	159.7	83%	0.825	83%	0.834	S	S	*	*			trans	-170.4	63.8	143.6	61.2	0	0	0	0	111
732	D	40	Very low	40.7	Very low	166 Å²	166	162.4 Å²	162.4	89%	0.888	85%	0.853	S	S	*	*			trans	-102.5	87.1	148.4	-97	-17.7	0	0	0	106.2
733	Q	37.4	Very low	39.6	Very low	189 Å²	189	170 Å²	170	88%	0.883	86%	0.863	S	S	*	*			trans	-178.5	93.3	155.8	-103	168.5	29.5	0	0	110.5
734	Q	34	Very low	38.6	Very low	271 Å²	271	168 Å²	168	100%	1.266	87%	0.865	S	S	*	*			trans	143.9	0	131.5	-84.3	-173.4	-18.6	0	0	112.9

Retrieved 734 of 734 residues in 302.6 ms (Link to these results)

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