X5CMH5_HUMAN Loading...

Antigen peptide transporter 2

AlphaFold DB , UniProt , Accession X5CMH5, Species HUMAN (Homo sapiens, Human), Gene TAP2, Length 703 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	29.4	Very low	46.1	Very low	249 Å²	249	129 Å²	129	100%	1.227	63%	0.629	S	S	*	*				0	111.6	0	-77	170.9	169.6	0	0	108.3
2	R	27.2	Very low	47.6	Very low	249 Å²	249	119.3 Å²	119.3	94%	0.94	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-95.1	127.7	168.1	-77.3	-178.4	176.8	174.6	-0.7	107
3	L	32	Very low	48.9	Very low	165 Å²	165	113.7 Å²	113.7	86%	0.864	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-58	134.7	171	-83.8	146	0	0	0	108.7
4	P	42.7	Very low	50	Low	69 Å²	69	114.5 Å²	114.5	45%	0.448	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-66.3	141.3	178.3	26.7	-32.4	0	0	0	110.6	L6 W113	P4-L6 PolarHBondContact O-N 3.38Å; P4-L6 VanDerWaalsContact O-N 3.16Å; P4-W113 HydrophobicContact CB-CH2 3.88Å; P4-W113 HydrophobicContact CG-CH2 3.93Å; P4-W113 HydrophobicContact CG-CZ3 4.25Å
5	D	42.2	Very low	51.1	Low	123 Å²	123	110.3 Å²	110.3	66%	0.658	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-56.5	118.1	174.8	-94.2	-37.9	0	0	0	110.2	R7 P8	D5-R7 VanDerWaalsContact C-N 3.31Å; D5-P8 VanDerWaalsContact O-CD 3.25Å; D5-P8 WeakPolarHBondContact O-CD 3.49Å
6	L	50.9	Low	52.1	Low	121 Å²	121	103.4 Å²	103.4	63%	0.634	51%	0.512	S	S	*	.			trans	-81.2	-6.2	-179.5	-82	149.7	0	0	0	113.6	P4 W9	P4-L6 PolarHBondContact O-N 3.38Å; P4-L6 VanDerWaalsContact O-N 3.16Å; L6-W9 VanDerWaalsContact O-CB 3.26Å; L6-W9 WeakPolarHBondContact O-CB 3.32Å; L6-W9 PolarHBondContact O-N 3.39Å
7	R	51.5	Low	52.8	Low	207 Å²	207	99.8 Å²	99.8	78%	0.781	50%	0.502	S	S	*	.	H	α-helix	trans	-59.1	-39.2	-178.8	-69.6	179.9	175.9	-178.2	-0.9	115.8	D5 W9 T10	D5-R7 VanDerWaalsContact C-N 3.31Å; R7-W9 VanDerWaalsContact C-N 3.3Å; R7-W9 PolarHBondContact O-N 3.43Å; R7-T10 PolarHBondContact O-OG1 3.31Å
8	P	56.1	Low	53.5	Low	35 Å²	35	97.3 Å²	97.3	23%	0.227	50%	0.499	C	S	.	.	H	α-helix	trans	-71.1	-26.1	176.4	24.9	-30.1	0	0	0	112.6	D5 S11 L12 F61 V62	D5-P8 VanDerWaalsContact O-CD 3.25Å; D5-P8 WeakPolarHBondContact O-CD 3.49Å; P8-S11 PolarHBondContact O-N 3.1Å; P8-S11 PolarHBondContact O-OG 3.35Å; P8-L12 PolarHBondContact O-N 2.97Å; P8-L12 VanDerWaalsContact O-N 3.09Å; P8-F61 HydrophobicContact CG-CD1 4.35Å; P8-F61 HydrophobicContact CG-CE1 4.06Å; P8-V62 HydrophobicContact CB-CG2 4.44Å
9	W	56.8	Low	54.2	Low	61 Å²	61	94.1 Å²	94.1	23%	0.231	48%	0.483	C	S	.	.	H	α-helix	trans	-63.7	-43.9	-179.6	-123	71	0	0	0	112.5	L6 R7 L12 L13 W113	L6-W9 VanDerWaalsContact O-CB 3.26Å; L6-W9 WeakPolarHBondContact O-CB 3.32Å; L6-W9 PolarHBondContact O-N 3.39Å; R7-W9 VanDerWaalsContact C-N 3.3Å; R7-W9 PolarHBondContact O-N 3.43Å; W9-L12 PolarHBondContact O-N 3.4Å; W9-L13 HydrophobicContact CD2-CD1 4.45Å; W9-L13 HydrophobicContact CE3-CD1 3.53Å; W9-L13 HydrophobicContact CE3-CG 4.43Å; W9-L13 HydrophobicContact CZ3-CD1 3.74Å; W9-L13 WeakPolarHBondContact O-CB 3.19Å; W9-L13 WeakPolarHBondContact O-CG 3.42Å; W9-L13 PolarHBondContact O-N 2.86Å; W9-L13 VanDerWaalsContact O-N 3.1Å; W9-W113 AromaticContact NE1-CE3 4Å
10	T	57.9	Low	54.8	Low	85 Å²	85	90 Å²	90	52%	0.521	46%	0.462	S	S	.	.	H	α-helix	trans	-67.2	-39	179.7	55.6	0	0	0	0	111.8	R7 L14	R7-T10 PolarHBondContact O-OG1 3.31Å; T10-L14 WeakPolarHBondContact O-CB 3.3Å; T10-L14 WeakPolarHBondContact O-CD1 3.48Å; T10-L14 WeakPolarHBondContact O-CG 3.27Å; T10-L14 PolarHBondContact O-N 3.3Å; T10-L14 VanDerWaalsContact O-N 3.08Å
11	S	60.3	Low	55.3	Low	55 Å²	55	94.7 Å²	94.7	39%	0.385	47%	0.474	S	S	.	.	H	α-helix	trans	-68.5	-36.9	178.1	70.5	0	0	0	0	113	P8 V15	P8-S11 PolarHBondContact O-N 3.1Å; P8-S11 PolarHBondContact O-OG 3.35Å; S11-V15 VanDerWaalsContact O-CG2 3.26Å; S11-V15 WeakPolarHBondContact O-CG2 3.44Å; S11-V15 PolarHBondContact O-N 2.84Å
12	L	64.6	Low	56.8	Low	13 Å²	13	88.3 Å²	88.3	7%	0.068	44%	0.444	C	S	.	.	H	α-helix	trans	-69.1	-45.6	177.7	-162.2	77.8	0	0	0	111.1	P8 W9 L14 V15 D16 L53 V62 L65 L69	P8-L12 PolarHBondContact O-N 2.97Å; P8-L12 VanDerWaalsContact O-N 3.09Å; W9-L12 PolarHBondContact O-N 3.4Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 PolarHBondContact O-N 3.45Å; L12-V15 PolarHBondContact O-N 2.83Å; L12-D16 WeakPolarHBondContact O-CB 3.45Å; L12-D16 PolarHBondContact O-N 2.6Å; L12-L53 HydrophobicContact CD1-CD1 3.84Å; L12-V62 HydrophobicContact CD1-CG1 3.53Å; L12-V62 HydrophobicContact CD2-CG1 3.91Å; L12-V62 HydrophobicContact CG-CG1 4.27Å; L12-L65 HydrophobicContact CD2-CB 4.48Å; L12-L65 HydrophobicContact CD2-CD2 4.37Å; L12-L69 HydrophobicContact CD2-CD2 4.08Å
13	L	64.1	Low	58.5	Low	46 Å²	46	76.9 Å²	76.9	24%	0.241	40%	0.402	C	S	.	.	H	α-helix	trans	-64.4	-35.2	178.7	-71.6	173.7	0	0	0	112.8	W9 A17 Y106	W9-L13 HydrophobicContact CD2-CD1 4.45Å; W9-L13 HydrophobicContact CE3-CD1 3.53Å; W9-L13 HydrophobicContact CE3-CG 4.43Å; W9-L13 HydrophobicContact CZ3-CD1 3.74Å; W9-L13 WeakPolarHBondContact O-CB 3.19Å; W9-L13 WeakPolarHBondContact O-CG 3.42Å; W9-L13 PolarHBondContact O-N 2.86Å; W9-L13 VanDerWaalsContact O-N 3.1Å; L13-A17 VanDerWaalsContact O-CB 3.25Å; L13-A17 WeakPolarHBondContact O-CB 3.17Å; L13-A17 PolarHBondContact O-N 3.41Å; L13-Y106 HydrophobicContact CD2-CD1 3.3Å; L13-Y106 HydrophobicContact CD2-CD2 4.33Å; L13-Y106 HydrophobicContact CD2-CE1 3.35Å; L13-Y106 HydrophobicContact CD2-CE2 4.36Å; L13-Y106 HydrophobicContact CD2-CG 3.85Å
14	L	64.6	Low	59.8	Low	125 Å²	125	74.1 Å²	74.1	65%	0.654	39%	0.385	S	S	*	.	H	α-helix	trans	-67.3	-42.9	175	-85.3	162.7	0	0	0	112.3	T10 L12 D16 A18	T10-L14 WeakPolarHBondContact O-CB 3.3Å; T10-L14 WeakPolarHBondContact O-CD1 3.48Å; T10-L14 WeakPolarHBondContact O-CG 3.27Å; T10-L14 PolarHBondContact O-N 3.3Å; T10-L14 VanDerWaalsContact O-N 3.08Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 PolarHBondContact O-N 3.45Å; L14-D16 VanDerWaalsContact C-N 3.33Å; L14-A18 WeakPolarHBondContact O-CB 3.39Å; L14-A18 PolarHBondContact O-N 2.82Å
15	V	66.3	Low	60.6	Low	51 Å²	51	72.1 Å²	72.1	31%	0.309	38%	0.376	S	S	.	.	H	α-helix	trans	-67	-39.4	177.2	172.8	0	0	0	0	110.8	S11 L12 A18 L19 L49 L52	S11-V15 VanDerWaalsContact O-CG2 3.26Å; S11-V15 WeakPolarHBondContact O-CG2 3.44Å; S11-V15 PolarHBondContact O-N 2.84Å; L12-V15 PolarHBondContact O-N 2.83Å; V15-A18 PolarHBondContact O-N 3.29Å; V15-L19 WeakPolarHBondContact O-CB 3.37Å; V15-L19 PolarHBondContact O-N 2.86Å; V15-L49 HydrophobicContact CG1-CD2 3.74Å; V15-L52 HydrophobicContact CG1-CD1 4.49Å
16	D	66.7	Low	61.1	Low	0 Å²	0	71.8 Å²	71.8	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-68.9	-39.5	178.8	-170.6	42.5	0	0	0	112.4	L12 L14 L19 L20 R45 Y106	L12-D16 WeakPolarHBondContact O-CB 3.45Å; L12-D16 PolarHBondContact O-N 2.6Å; L14-D16 VanDerWaalsContact C-N 3.33Å; D16-L19 PolarHBondContact O-N 3.11Å; D16-L20 WeakPolarHBondContact O-CB 3.5Å; D16-L20 VanDerWaalsContact O-CG 3.31Å; D16-L20 WeakPolarHBondContact O-CG 3.38Å; D16-L20 PolarHBondContact O-N 2.85Å; D16-R45 IonicContact OD1-CZ 3.62Å; D16-R45 IonicContact OD1-NE 3.58Å; D16-R45 PolarHBondContact OD1-NE 3.43Å; D16-R45 IonicContact OD1-NH2 2.6Å; D16-R45 PolarHBondContact OD1-NH2 2.71Å; D16-R45 IonicContact OD2-CZ 2.58Å; D16-R45 IonicContact OD2-NE 3.7Å; D16-R45 IonicContact OD2-NH2 3.36Å; D16-R45 PolarHBondContact OD2-NH2 3.02Å; D16-Y106 VanDerWaalsContact OD2-CE1 3.3Å; D16-Y106 WeakPolarHBondContact OD2-CE1 2.97Å; D16-Y106 PolarHBondContact OD2-OH 3.31Å; D16-Y106 VanDerWaalsContact OD2-OH 3.12Å
17	A	64.6	Low	61.2	Low	42 Å²	42	70.5 Å²	70.5	35%	0.347	38%	0.375	S	S	.	.	H	α-helix	trans	-64	-39.5	170.3	0	0	0	0	0	112.5	L13 L20 W21	L13-A17 VanDerWaalsContact O-CB 3.25Å; L13-A17 WeakPolarHBondContact O-CB 3.17Å; L13-A17 PolarHBondContact O-N 3.41Å; A17-L20 PolarHBondContact O-N 3.45Å; A17-W21 WeakPolarHBondContact O-CB 3.36Å; A17-W21 PolarHBondContact O-N 3.39Å
18	A	64.6	Low	61.4	Low	55 Å²	55	60.8 Å²	60.8	46%	0.455	34%	0.339	S	S	.	.	H	α-helix	trans	-66.6	-38	175.1	0	0	0	0	0	112.1	L14 V15 W21 L22	L14-A18 WeakPolarHBondContact O-CB 3.39Å; L14-A18 PolarHBondContact O-N 2.82Å; V15-A18 PolarHBondContact O-N 3.29Å; A18-W21 PolarHBondContact O-N 3.29Å; A18-L22 PolarHBondContact O-N 3.18Å
19	L	66.9	Low	61.3	Low	36 Å²	36	64 Å²	64	19%	0.188	36%	0.358	C	S	.	.	H	α-helix	trans	-67.8	-41.7	176.6	-154.3	102.5	0	0	0	111.5	V15 D16 W21 L22 L23 R45	V15-L19 WeakPolarHBondContact O-CB 3.37Å; V15-L19 PolarHBondContact O-N 2.86Å; D16-L19 PolarHBondContact O-N 3.11Å; L19-W21 VanDerWaalsContact C-N 3.33Å; L19-W21 PolarHBondContact O-N 2.92Å; L19-L22 WeakPolarHBondContact O-CB 3.38Å; L19-L22 PolarHBondContact O-N 3.12Å; L19-L23 HydrophobicContact CD2-CD1 3.98Å; L19-L23 HydrophobicContact CG-CD1 4.34Å; L19-L23 WeakPolarHBondContact O-CD1 3.49Å; L19-L23 PolarHBondContact O-N 3.08Å; L19-R45 HydrophobicContact CD2-CB 4.03Å; L19-R45 HydrophobicContact CD2-CG 3.75Å
20	L	66.3	Low	61.3	Low	12 Å²	12	68 Å²	68	6%	0.063	38%	0.383	C	S	.	.	H	α-helix	trans	-61.7	-39.2	173.7	-75.7	167.7	0	0	0	111.9	D16 A17 L22 L23 Q24 V94 L102	D16-L20 WeakPolarHBondContact O-CB 3.5Å; D16-L20 VanDerWaalsContact O-CG 3.31Å; D16-L20 WeakPolarHBondContact O-CG 3.38Å; D16-L20 PolarHBondContact O-N 2.85Å; A17-L20 PolarHBondContact O-N 3.45Å; L20-L22 VanDerWaalsContact C-N 3.35Å; L20-L23 PolarHBondContact O-N 3.06Å; L20-Q24 WeakPolarHBondContact O-CG 3.42Å; L20-Q24 PolarHBondContact O-N 2.62Å; L20-Q24 VanDerWaalsContact O-N 3.09Å; L20-V94 HydrophobicContact CD2-CG1 4.22Å; L20-L102 HydrophobicContact CD1-CD2 4.23Å
21	W	64.8	Low	61.3	Low	190 Å²	190	65.5 Å²	65.5	72%	0.72	37%	0.366	S	S	*	.	H	α-helix	trans	-65	-37.5	174.2	-170.5	72.9	0	0	0	112.3	A17 A18 L19 Q24	A17-W21 WeakPolarHBondContact O-CB 3.36Å; A17-W21 PolarHBondContact O-N 3.39Å; A18-W21 PolarHBondContact O-N 3.29Å; L19-W21 VanDerWaalsContact C-N 3.33Å; L19-W21 PolarHBondContact O-N 2.92Å; W21-Q24 WeakPolarHBondContact O-CB 3.45Å; W21-Q24 PolarHBondContact O-N 2.78Å
22	L	62.2	Low	61.1	Low	114 Å²	114	66.4 Å²	66.4	60%	0.597	37%	0.371	S	S	*	.	H	α-helix	trans	-68.7	-35.2	176.5	-140.8	129.6	0	0	0	112.3	A18 L19 L20 Q24 G25	A18-L22 PolarHBondContact O-N 3.18Å; L19-L22 WeakPolarHBondContact O-CB 3.38Å; L19-L22 PolarHBondContact O-N 3.12Å; L20-L22 VanDerWaalsContact C-N 3.35Å; L22-Q24 VanDerWaalsContact C-N 3.33Å; L22-G25 PolarHBondContact O-N 2.84Å
23	L	61.4	Low	60.4	Low	10 Å²	10	73.4 Å²	73.4	5%	0.052	40%	0.403	C	S	.	.	H	α-helix	trans	-73.3	-18.3	173.6	-87	146.4	0	0	0	113.6	L19 L20 G25 G28 L31 E41 L44	L19-L23 HydrophobicContact CD2-CD1 3.98Å; L19-L23 HydrophobicContact CG-CD1 4.34Å; L19-L23 WeakPolarHBondContact O-CD1 3.49Å; L19-L23 PolarHBondContact O-N 3.08Å; L20-L23 PolarHBondContact O-N 3.06Å; L23-G25 VanDerWaalsContact C-N 3.31Å; L23-G28 WeakPolarHBondContact O-CA 3.36Å; L23-L31 HydrophobicContact CD2-CD1 4.4Å; L23-E41 HydrophobicContact CD2-CG 4.37Å; L23-L44 HydrophobicContact CD2-CD2 4.24Å
24	Q	60	Low	60.2	Low	106 Å²	106	72.7 Å²	72.7	50%	0.495	41%	0.407	S	S	.	.	H	α-helix	trans	-74.2	-20.4	168.5	-71.4	177.4	-23.8	0	0	113	L20 W21 L22 A95	L20-Q24 WeakPolarHBondContact O-CG 3.42Å; L20-Q24 PolarHBondContact O-N 2.62Å; L20-Q24 VanDerWaalsContact O-N 3.09Å; W21-Q24 WeakPolarHBondContact O-CB 3.45Å; W21-Q24 PolarHBondContact O-N 2.78Å; L22-Q24 VanDerWaalsContact C-N 3.33Å; Q24-A95 HydrophobicContact CG-CB 3.7Å; Q24-A95 PolarHBondContact NE2-O 2.89Å
25	G	59.9	Low	59.8	Low	27 Å²	27	70.2 Å²	70.2	28%	0.278	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-163.2	-179.3	0	0	0	0	0	114.7	L22 L23 L27 G28	L22-G25 PolarHBondContact O-N 2.84Å; L23-G25 VanDerWaalsContact C-N 3.31Å; G25-L27 PolarHBondContact O-N 2.83Å; G25-G28 PolarHBondContact O-N 2.7Å
26	P	53.3	Low	59.6	Low	117 Å²	117	72 Å²	72	76%	0.76	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-10.5	-172.9	26.4	-34.8	0	0	0	114.6	T29	P26-T29 PolarHBondContact O-OG1 3.42Å
27	L	53	Low	59.4	Low	94 Å²	94	72.4 Å²	72.4	49%	0.492	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-29.8	174.1	-137.8	83.8	0	0	0	112.3	G25 T29	G25-L27 PolarHBondContact O-N 2.83Å; L27-T29 VanDerWaalsContact C-N 3.33Å; L27-T29 PolarHBondContact O-N 2.93Å
28	G	54.4	Low	59.4	Low	3 Å²	3	70.8 Å²	70.8	3%	0.031	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-75.9	-16.8	-177.6	0	0	0	0	0	114.3	L23 G25 L30 R93	L23-G28 WeakPolarHBondContact O-CA 3.36Å; G25-G28 PolarHBondContact O-N 2.7Å; G28-L30 VanDerWaalsContact C-N 3.3Å; G28-R93 PolarHBondContact O-NH2 2.89Å
29	T	55.3	Low	59.5	Low	101 Å²	101	72.9 Å²	72.9	62%	0.62	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-78.2	-13.4	177.4	52.5	0	0	0	0	113.5	P26 L27	P26-T29 PolarHBondContact O-OG1 3.42Å; L27-T29 VanDerWaalsContact C-N 3.33Å; L27-T29 PolarHBondContact O-N 2.93Å
30	L	56.7	Low	59.5	Low	145 Å²	145	75.2 Å²	75.2	76%	0.759	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-86.2	-12.2	176.1	-76.8	154.5	0	0	0	113.6	G28	G28-L30 VanDerWaalsContact C-N 3.3Å
31	L	58.3	Low	59.6	Low	33 Å²	33	75.4 Å²	75.4	17%	0.173	41%	0.405	C	S	.	.	S	Bend	trans	-87.7	136.7	-178.3	-81.9	122.3	0	0	0	112.3	L23 L40	L23-L31 HydrophobicContact CD2-CD1 4.4Å; L31-L40 HydrophobicContact CD2-CB 3.78Å; L31-L40 HydrophobicContact CD2-CD2 3.48Å; L31-L40 VanDerWaalsContact CD2-CD2 3.48Å; L31-L40 HydrophobicContact CD2-CG 4.25Å; L31-L40 HydrophobicContact CG-CD2 4.48Å
32	P	55.3	Low	59.7	Low	75 Å²	75	66.6 Å²	66.6	49%	0.487	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-63.2	141.2	179.4	25.1	-32.7	0	0	0	111.7	G37	P32-G37 WeakPolarHBondContact O-CA 3.43Å
33	Q	50.5	Low	59.9	Low	160 Å²	160	64.7 Å²	64.7	75%	0.748	37%	0.366	S	S	*	.	S	Bend	trans	-78.2	139.3	178.9	-61.3	-177	4.5	0	0	111.2
34	G	59.7	Low	60.2	Low	31 Å²	31	68.3 Å²	68.3	32%	0.32	39%	0.385	S	S	.	.	S	Bend	trans	117.1	-170.2	176.6	0	0	0	0	0	114.8	P36 G37 L38	G34-P36 VanDerWaalsContact C-N 3.34Å; G34-G37 PolarHBondContact O-N 2.96Å; G34-L38 PolarHBondContact O-N 3.15Å
35	L	56.4	Low	60.7	Low	72 Å²	72	63.6 Å²	63.6	38%	0.377	36%	0.363	S	S	.	.	H	α-helix	trans	-51.4	-40.6	177.8	-74.9	162.8	0	0	0	114.1	G37 L38 W39	L35-G37 VanDerWaalsContact C-N 3.33Å; L35-G37 PolarHBondContact O-N 2.85Å; L35-L38 PolarHBondContact O-N 3Å; L35-W39 PolarHBondContact O-N 3.15Å
36	P	61.3	Low	61.2	Low	90 Å²	90	64.5 Å²	64.5	58%	0.584	36%	0.361	S	S	*	.	H	α-helix	trans	-64.7	-37.1	176.6	-18.6	31.2	0	0	0	112.6	G34 W39 L40	G34-P36 VanDerWaalsContact C-N 3.34Å; P36-W39 PolarHBondContact O-N 3.12Å; P36-L40 WeakPolarHBondContact O-CB 3.47Å; P36-L40 PolarHBondContact O-N 3.39Å
37	G	62.5	Low	61.9	Low	7 Å²	7	61 Å²	61	7%	0.072	35%	0.346	C	S	.	.	H	α-helix	trans	-63.6	-39	176.7	0	0	0	0	0	113	P32 G34 L35 L40 E41	P32-G37 WeakPolarHBondContact O-CA 3.43Å; G34-G37 PolarHBondContact O-N 2.96Å; L35-G37 VanDerWaalsContact C-N 3.33Å; L35-G37 PolarHBondContact O-N 2.85Å; G37-L40 PolarHBondContact O-N 3.13Å; G37-E41 VanDerWaalsContact O-CB 3.28Å; G37-E41 WeakPolarHBondContact O-CB 3.47Å; G37-E41 PolarHBondContact O-N 3.06Å
38	L	65.4	Low	62.6	Low	8 Å²	8	57.8 Å²	57.8	4%	0.042	34%	0.336	C	S	.	.	H	α-helix	trans	-65.1	-39.2	177.3	-76.1	158.2	0	0	0	112.8	G34 L35 G42 V77 V94	G34-L38 PolarHBondContact O-N 3.15Å; L35-L38 PolarHBondContact O-N 3Å; L38-G42 PolarHBondContact O-N 3.46Å; L38-V77 HydrophobicContact CD1-CG1 4.22Å; L38-V94 HydrophobicContact CD2-CG2 3.62Å
39	W	65.2	Low	63.3	Low	100 Å²	100	57.7 Å²	57.7	38%	0.379	34%	0.335	S	S	.	.	H	α-helix	trans	-73.5	-34.8	175	-79.2	92	0	0	0	112.2	L35 P36 G42 T43 L71 P74 L75 S78	L35-W39 PolarHBondContact O-N 3.15Å; P36-W39 PolarHBondContact O-N 3.12Å; W39-G42 PolarHBondContact O-N 3.45Å; W39-T43 WeakPolarHBondContact O-CB 3.29Å; W39-T43 VanDerWaalsContact O-CG2 3.32Å; W39-T43 WeakPolarHBondContact O-CG2 3.13Å; W39-T43 PolarHBondContact O-N 3.22Å; W39-T43 PolarHBondContact O-OG1 3.2Å; W39-L71 HydrophobicContact CE3-CD2 4.24Å; W39-L71 HydrophobicContact CZ3-CD2 4.01Å; W39-P74 HydrophobicContact CD2-CB 4.39Å; W39-L75 HydrophobicContact CH2-CD1 4.17Å; W39-L75 HydrophobicContact CZ2-CD1 4.34Å; W39-S78 PolarHBondContact NE1-OG 3.16Å
40	L	68.3	Low	63.9	Low	85 Å²	85	59 Å²	59	45%	0.445	33%	0.328	S	S	.	.	H	α-helix	trans	-68	-40.9	174.5	-135.1	116.5	0	0	0	111.4	L31 P36 G37 T43 L44	L31-L40 HydrophobicContact CD2-CB 3.78Å; L31-L40 HydrophobicContact CD2-CD2 3.48Å; L31-L40 VanDerWaalsContact CD2-CD2 3.48Å; L31-L40 HydrophobicContact CD2-CG 4.25Å; L31-L40 HydrophobicContact CG-CD2 4.48Å; P36-L40 WeakPolarHBondContact O-CB 3.47Å; P36-L40 PolarHBondContact O-N 3.39Å; G37-L40 PolarHBondContact O-N 3.13Å; L40-T43 WeakPolarHBondContact CA-OG1 3.37Å; L40-T43 PolarHBondContact O-N 3.32Å; L40-T43 PolarHBondContact O-OG1 2.87Å; L40-L44 WeakPolarHBondContact O-CB 3.38Å; L40-L44 PolarHBondContact O-N 3.01Å
41	E	68.1	Low	64.3	Low	16 Å²	16	53.5 Å²	53.5	8%	0.075	31%	0.306	C	S	.	.	H	α-helix	trans	-61.2	-44.8	173.4	-169.2	-179.1	177.7	0	0	111	L23 G37 R45 V94 A95	L23-E41 HydrophobicContact CD2-CG 4.37Å; G37-E41 VanDerWaalsContact O-CB 3.28Å; G37-E41 WeakPolarHBondContact O-CB 3.47Å; G37-E41 PolarHBondContact O-N 3.06Å; E41-R45 VanDerWaalsContact O-CB 3.26Å; E41-R45 WeakPolarHBondContact O-CB 3.35Å; E41-R45 PolarHBondContact O-N 3.4Å; E41-V94 PolarHBondContact OE2-N 3.38Å; E41-V94 VanDerWaalsContact OE2-N 3.16Å; E41-A95 WeakPolarHBondContact OE1-CB 3.18Å; E41-A95 PolarHBondContact OE1-N 3.49Å
42	G	66	Low	64.5	Low	5 Å²	5	56.5 Å²	56.5	5%	0.052	32%	0.322	C	S	.	.	H	α-helix	trans	-65	-37.4	176.5	0	0	0	0	0	114.2	L38 W39 L46	L38-G42 PolarHBondContact O-N 3.46Å; W39-G42 PolarHBondContact O-N 3.45Å; G42-L46 WeakPolarHBondContact O-CB 3.48Å; G42-L46 PolarHBondContact O-N 3.03Å
43	T	66.6	Low	64.9	Low	73 Å²	73	53.7 Å²	53.7	45%	0.448	30%	0.303	S	S	.	.	H	α-helix	trans	-75.6	-36.2	177.7	49.7	0	0	0	0	112.7	W39 L40 R45 L46 G47	W39-T43 WeakPolarHBondContact O-CB 3.29Å; W39-T43 VanDerWaalsContact O-CG2 3.32Å; W39-T43 WeakPolarHBondContact O-CG2 3.13Å; W39-T43 PolarHBondContact O-N 3.22Å; W39-T43 PolarHBondContact O-OG1 3.2Å; L40-T43 WeakPolarHBondContact CA-OG1 3.37Å; L40-T43 PolarHBondContact O-N 3.32Å; L40-T43 PolarHBondContact O-OG1 2.87Å; T43-R45 VanDerWaalsContact C-N 3.33Å; T43-L46 PolarHBondContact O-N 2.83Å; T43-G47 PolarHBondContact O-N 3.11Å
44	L	68.9	Low	65.3	Low	86 Å²	86	52.2 Å²	52.2	45%	0.45	29%	0.294	S	S	.	.	H	α-helix	trans	-63.4	-41.9	172.7	-139.6	91.7	0	0	0	111.1	L23 L40 G47 G48	L23-L44 HydrophobicContact CD2-CD2 4.24Å; L40-L44 WeakPolarHBondContact O-CB 3.38Å; L40-L44 PolarHBondContact O-N 3.01Å; L44-G47 PolarHBondContact O-N 2.96Å; L44-G48 PolarHBondContact O-N 3.4Å
45	R	69.8	Low	65.5	Low	7 Å²	7	58.4 Å²	58.4	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-64.3	-42.4	176.4	-173.2	174.3	172.2	-163.3	-1.8	112.1	D16 L19 E41 T43 L49	D16-R45 IonicContact OD1-CZ 3.62Å; D16-R45 IonicContact OD1-NE 3.58Å; D16-R45 PolarHBondContact OD1-NE 3.43Å; D16-R45 IonicContact OD1-NH2 2.6Å; D16-R45 PolarHBondContact OD1-NH2 2.71Å; D16-R45 IonicContact OD2-CZ 2.58Å; D16-R45 IonicContact OD2-NE 3.7Å; D16-R45 IonicContact OD2-NH2 3.36Å; D16-R45 PolarHBondContact OD2-NH2 3.02Å; L19-R45 HydrophobicContact CD2-CB 4.03Å; L19-R45 HydrophobicContact CD2-CG 3.75Å; E41-R45 VanDerWaalsContact O-CB 3.26Å; E41-R45 WeakPolarHBondContact O-CB 3.35Å; E41-R45 PolarHBondContact O-N 3.4Å; T43-R45 VanDerWaalsContact C-N 3.33Å; R45-L49 HydrophobicContact CG-CD1 4.05Å; R45-L49 WeakPolarHBondContact O-CB 3.47Å; R45-L49 WeakPolarHBondContact O-CG 3.32Å; R45-L49 PolarHBondContact O-N 2.9Å
46	L	70.6	Confident	65.4	Low	47 Å²	47	63.8 Å²	63.8	25%	0.246	33%	0.334	C	S	.	.	H	α-helix	trans	-59.7	-47.7	172.5	-169.3	87.3	0	0	0	111.4	G42 T43 W50 L66 L67 C70	G42-L46 WeakPolarHBondContact O-CB 3.48Å; G42-L46 PolarHBondContact O-N 3.03Å; T43-L46 PolarHBondContact O-N 2.83Å; L46-W50 WeakPolarHBondContact O-CB 3.46Å; L46-W50 PolarHBondContact O-N 3.32Å; L46-L66 HydrophobicContact CD1-CD2 3.85Å; L46-L66 HydrophobicContact CG-CD2 4.26Å; L46-L66 WeakPolarHBondContact O-CD2 3.38Å; L46-L67 HydrophobicContact CD1-CB 4.44Å; L46-L67 HydrophobicContact CD1-CD1 3.87Å; L46-L67 HydrophobicContact CD2-CD1 4.18Å; L46-C70 HydrophobicContact CB-CB 4.25Å; L46-C70 HydrophobicContact CD1-CB 4.03Å
47	G	68.3	Low	65	Low	42 Å²	42	62.8 Å²	62.8	43%	0.433	34%	0.341	S	S	.	.	H	α-helix	trans	-64.8	-43.7	-179.9	0	0	0	0	0	113.4	T43 L44 W50 G51	T43-G47 PolarHBondContact O-N 3.11Å; L44-G47 PolarHBondContact O-N 2.96Å; G47-W50 PolarHBondContact O-N 3.3Å; G47-G51 PolarHBondContact O-N 3.09Å
48	G	67.6	Low	64.6	Low	28 Å²	28	66.4 Å²	66.4	29%	0.289	36%	0.358	S	S	.	.	H	α-helix	trans	-65	-46.7	178.4	0	0	0	0	0	112.9	L44 G51 L52	L44-G48 PolarHBondContact O-N 3.4Å; G48-G51 PolarHBondContact O-N 3.49Å; G48-L52 WeakPolarHBondContact O-CB 3.35Å; G48-L52 PolarHBondContact O-N 3.34Å; G48-L52 VanDerWaalsContact O-N 3.08Å
49	L	67.5	Low	64.1	Low	1 Å²	1	69.2 Å²	69.2	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-67	-38.2	177	-75.4	168.5	0	0	0	111.8	V15 R45 L53 L66	V15-L49 HydrophobicContact CG1-CD2 3.74Å; R45-L49 HydrophobicContact CG-CD1 4.05Å; R45-L49 WeakPolarHBondContact O-CB 3.47Å; R45-L49 WeakPolarHBondContact O-CG 3.32Å; R45-L49 PolarHBondContact O-N 2.9Å; L49-L53 WeakPolarHBondContact O-CB 3.06Å; L49-L53 WeakPolarHBondContact O-CD1 3.36Å; L49-L53 PolarHBondContact O-N 3.32Å; L49-L66 HydrophobicContact CB-CD1 4.21Å; L49-L66 HydrophobicContact CB-CD2 3.59Å; L49-L66 HydrophobicContact CB-CG 4.04Å
50	W	68.7	Low	63.5	Low	129 Å²	129	67.8 Å²	67.8	49%	0.489	39%	0.389	S	S	.	.	H	α-helix	trans	-64.7	-43.7	176.4	-174.6	79.9	0	0	0	112.2	L46 G47 L53 K54 L66	L46-W50 WeakPolarHBondContact O-CB 3.46Å; L46-W50 PolarHBondContact O-N 3.32Å; G47-W50 PolarHBondContact O-N 3.3Å; W50-L53 PolarHBondContact O-N 3.24Å; W50-K54 HydrophobicContact CH2-CD 4.18Å; W50-K54 HydrophobicContact CZ2-CD 4.37Å; W50-K54 HydrophobicContact CZ3-CD 4.41Å; W50-K54 WeakPolarHBondContact O-CB 3.29Å; W50-K54 PolarHBondContact O-N 3.44Å; W50-L66 HydrophobicContact CB-CD2 4.44Å
51	G	64.6	Low	62.6	Low	28 Å²	28	69.3 Å²	69.3	29%	0.289	39%	0.392	S	S	.	.	H	α-helix	trans	-62.5	-45.8	176.3	0	0	0	0	0	113	G47 G48 K54 L55	G47-G51 PolarHBondContact O-N 3.09Å; G48-G51 PolarHBondContact O-N 3.49Å; G51-K54 PolarHBondContact O-N 3.27Å; G51-L55 PolarHBondContact O-N 3.21Å; G51-L55 VanDerWaalsContact O-N 3.16Å
52	L	63.3	Low	61.8	Low	96 Å²	96	69 Å²	69	50%	0.503	39%	0.391	S	S	.	.	H	α-helix	trans	-64.5	-39.8	177.7	-89.7	155.6	0	0	0	112.8	V15 G48 R56	V15-L52 HydrophobicContact CG1-CD1 4.49Å; G48-L52 WeakPolarHBondContact O-CB 3.35Å; G48-L52 PolarHBondContact O-N 3.34Å; G48-L52 VanDerWaalsContact O-N 3.08Å; L52-R56 PolarHBondContact O-N 3.03Å
53	L	63.2	Low	61.3	Low	17 Å²	17	70.1 Å²	70.1	9%	0.089	40%	0.403	C	S	.	.	H	α-helix	trans	-72	-32.3	177	-95.4	91	0	0	0	113.3	L12 L49 W50 R56 G57 L58 L59 V62 L66	L12-L53 HydrophobicContact CD1-CD1 3.84Å; L49-L53 WeakPolarHBondContact O-CB 3.06Å; L49-L53 WeakPolarHBondContact O-CD1 3.36Å; L49-L53 PolarHBondContact O-N 3.32Å; W50-L53 PolarHBondContact O-N 3.24Å; L53-R56 PolarHBondContact O-N 2.7Å; L53-G57 PolarHBondContact O-N 3.48Å; L53-L58 PolarHBondContact O-N 3.42Å; L53-L59 HydrophobicContact CB-CD1 4.06Å; L53-V62 HydrophobicContact CD2-CB 3.45Å; L53-V62 VanDerWaalsContact CD2-CB 3.45Å; L53-V62 HydrophobicContact CD2-CG1 3.51Å; L53-V62 HydrophobicContact CD2-CG2 4.39Å; L53-L66 HydrophobicContact CD1-CD1 4.12Å; L53-L66 HydrophobicContact CD2-CD1 4.19Å
54	K	59.8	Low	60.7	Low	128 Å²	128	69 Å²	69	56%	0.557	40%	0.396	S	S	*	.	H	α-helix	trans	-66	-39.5	175.5	-167.4	177	-178.4	-178.8	0	111.7	W50 G51 R56 L59	W50-K54 HydrophobicContact CH2-CD 4.18Å; W50-K54 HydrophobicContact CZ2-CD 4.37Å; W50-K54 HydrophobicContact CZ3-CD 4.41Å; W50-K54 WeakPolarHBondContact O-CB 3.29Å; W50-K54 PolarHBondContact O-N 3.44Å; G51-K54 PolarHBondContact O-N 3.27Å; K54-R56 VanDerWaalsContact C-N 3.25Å; K54-R56 PolarHBondContact O-N 3.44Å; K54-L59 HydrophobicContact CB-CD1 4.05Å
55	L	62.6	Low	60	Low	162 Å²	162	65.1 Å²	65.1	85%	0.848	38%	0.376	S	S	*	.	H	α-helix	trans	-64.6	-27.2	174.1	-100.1	137.6	0	0	0	113.4	G51	G51-L55 PolarHBondContact O-N 3.21Å; G51-L55 VanDerWaalsContact O-N 3.16Å
56	R	56	Low	59.5	Low	184 Å²	184	65 Å²	65	69%	0.694	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	3.3	-175.1	-133.4	176.7	-175.3	-177.2	1.8	114.5	L52 L53 K54 L58	L52-R56 PolarHBondContact O-N 3.03Å; L53-R56 PolarHBondContact O-N 2.7Å; K54-R56 VanDerWaalsContact C-N 3.25Å; K54-R56 PolarHBondContact O-N 3.44Å; R56-L58 HydrophobicContact CB-CD1 4.45Å; R56-L58 HydrophobicContact CG-CD1 4.49Å; R56-L58 PolarHBondContact O-N 2.78Å
57	G	51.5	Low	58.9	Low	70 Å²	70	67.4 Å²	67.4	72%	0.722	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	9	177.8	0	0	0	0	0	115.8	L53	L53-G57 PolarHBondContact O-N 3.48Å
58	L	54.3	Low	58.4	Low	83 Å²	83	67 Å²	67	44%	0.435	38%	0.378	S	S	.	.			trans	-93.3	12.1	-174.9	-87.7	152.4	0	0	0	113.8	L53 R56 G60	L53-L58 PolarHBondContact O-N 3.42Å; R56-L58 HydrophobicContact CB-CD1 4.45Å; R56-L58 HydrophobicContact CG-CD1 4.49Å; R56-L58 PolarHBondContact O-N 2.78Å; L58-G60 VanDerWaalsContact C-N 3.27Å; L58-G60 PolarHBondContact O-N 3.44Å
59	L	54.6	Low	58.1	Low	66 Å²	66	66.1 Å²	66.1	35%	0.346	37%	0.366	S	S	.	.	H	α-helix	trans	-63.1	-30.1	-170.3	-148.4	84.8	0	0	0	113.3	L53 K54 G63	L53-L59 HydrophobicContact CB-CD1 4.06Å; K54-L59 HydrophobicContact CB-CD1 4.05Å; L59-G63 WeakPolarHBondContact O-CA 3.22Å; L59-G63 PolarHBondContact O-N 2.81Å
60	G	53	Low	57.8	Low	70 Å²	70	66.1 Å²	66.1	72%	0.722	37%	0.366	S	S	*	.	H	α-helix	trans	-67.6	-46	-174.5	0	0	0	0	0	114.2	L58	L58-G60 VanDerWaalsContact C-N 3.27Å; L58-G60 PolarHBondContact O-N 3.44Å
61	F	49.6	Very low	57.4	Low	118 Å²	118	61.8 Å²	61.8	52%	0.518	35%	0.353	S	S	.	.	H	α-helix	trans	-87.3	-26.4	-175	-165.2	-99.4	0	0	0	113.2	P8 W113	P8-F61 HydrophobicContact CG-CD1 4.35Å; P8-F61 HydrophobicContact CG-CE1 4.06Å; F61-W113 HydrophobicContact CE1-CZ2 4.45Å
62	V	52.3	Low	57.2	Low	8 Å²	8	61.7 Å²	61.7	5%	0.048	35%	0.349	C	S	.	.	H	α-helix	trans	-114	-14	-169.2	-172.3	0	0	0	0	113	P8 L12 L53 T64 L65 L66	P8-V62 HydrophobicContact CB-CG2 4.44Å; L12-V62 HydrophobicContact CD1-CG1 3.53Å; L12-V62 HydrophobicContact CD2-CG1 3.91Å; L12-V62 HydrophobicContact CG-CG1 4.27Å; L53-V62 HydrophobicContact CD2-CB 3.45Å; L53-V62 VanDerWaalsContact CD2-CB 3.45Å; L53-V62 HydrophobicContact CD2-CG1 3.51Å; L53-V62 HydrophobicContact CD2-CG2 4.39Å; V62-T64 PolarHBondContact O-N 3.01Å; V62-L65 HydrophobicContact CG1-CB 4.41Å; V62-L65 WeakPolarHBondContact O-CB 3.46Å; V62-L65 PolarHBondContact O-N 2.92Å; V62-L65 VanDerWaalsContact O-N 3.08Å; V62-L66 PolarHBondContact O-N 2.66Å
63	G	54.9	Low	57	Low	29 Å²	29	58.1 Å²	58.1	30%	0.299	33%	0.331	S	S	.	.	H	α-helix	trans	-60.7	-28	178.7	0	0	0	0	0	114	L59 L65	L59-G63 WeakPolarHBondContact O-CA 3.22Å; L59-G63 PolarHBondContact O-N 2.81Å; G63-L65 VanDerWaalsContact C-N 3.35Å
64	T	54.6	Low	56.9	Low	49 Å²	49	57.4 Å²	57.4	30%	0.301	33%	0.328	S	S	.	.	H	α-helix	trans	-80.3	-17.3	178.9	53.9	0	0	0	0	113.4	V62 P68 W116	V62-T64 PolarHBondContact O-N 3.01Å; T64-P68 VanDerWaalsContact O-CD 3.28Å; T64-P68 WeakPolarHBondContact O-CD 3.48Å; T64-W116 HydrophobicContact CG2-CD2 4.47Å; T64-W116 HydrophobicContact CG2-CE3 4.44Å; T64-W116 HydrophobicContact CG2-CH2 3.2Å; T64-W116 HydrophobicContact CG2-CZ2 3.17Å; T64-W116 HydrophobicContact CG2-CZ3 3.86Å; T64-W116 WeakPolarHBondContact OG1-CH2 3.45Å; T64-W116 WeakPolarHBondContact OG1-CZ3 3.41Å
65	L	53.1	Low	56.9	Low	6 Å²	6	55 Å²	55	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-82.6	-24.2	174.8	-114.2	140.3	0	0	0	112.6	L12 V62 G63 P68 L69 W113	L12-L65 HydrophobicContact CD2-CB 4.48Å; L12-L65 HydrophobicContact CD2-CD2 4.37Å; V62-L65 HydrophobicContact CG1-CB 4.41Å; V62-L65 WeakPolarHBondContact O-CB 3.46Å; V62-L65 PolarHBondContact O-N 2.92Å; V62-L65 VanDerWaalsContact O-N 3.08Å; G63-L65 VanDerWaalsContact C-N 3.35Å; L65-P68 WeakPolarHBondContact O-CD 3.19Å; L65-P68 WeakPolarHBondContact O-CG 3.37Å; L65-L69 WeakPolarHBondContact O-CB 3.42Å; L65-L69 PolarHBondContact O-N 2.97Å; L65-W113 HydrophobicContact CD1-CB 4.45Å; L65-W113 HydrophobicContact CD1-CD2 3.91Å; L65-W113 HydrophobicContact CD1-CG 3.62Å; L65-W113 HydrophobicContact CD1-CZ2 4.47Å; L65-W113 HydrophobicContact CD2-CB 4.26Å; L65-W113 HydrophobicContact CD2-CG 4.27Å; L65-W113 HydrophobicContact CG-CB 4.05Å; L65-W113 VanDerWaalsContact CG-CD1 3.46Å; L65-W113 HydrophobicContact CG-CD2 4.48Å; L65-W113 HydrophobicContact CG-CG 3.72Å
66	L	60.1	Low	56.7	Low	4 Å²	4	51.2 Å²	51.2	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-71.7	-40.6	-167	-137.5	149.5	0	0	0	112.4	L46 L49 W50 L53 V62 C70	L46-L66 HydrophobicContact CD1-CD2 3.85Å; L46-L66 HydrophobicContact CG-CD2 4.26Å; L46-L66 WeakPolarHBondContact O-CD2 3.38Å; L49-L66 HydrophobicContact CB-CD1 4.21Å; L49-L66 HydrophobicContact CB-CD2 3.59Å; L49-L66 HydrophobicContact CB-CG 4.04Å; W50-L66 HydrophobicContact CB-CD2 4.44Å; L53-L66 HydrophobicContact CD1-CD1 4.12Å; L53-L66 HydrophobicContact CD2-CD1 4.19Å; V62-L66 PolarHBondContact O-N 2.66Å; L66-C70 WeakPolarHBondContact O-CB 3.49Å; L66-C70 PolarHBondContact O-N 3.42Å; L66-C70 PolarHBondContact O-SG 2.91Å
67	L	58.3	Low	56.8	Low	98 Å²	98	43.4 Å²	43.4	51%	0.513	28%	0.277	S	S	.	.	H	α-helix	trans	-68.4	-50.4	179.1	-165.4	75.2	0	0	0	113.5	L46 L71	L46-L67 HydrophobicContact CD1-CB 4.44Å; L46-L67 HydrophobicContact CD1-CD1 3.87Å; L46-L67 HydrophobicContact CD2-CD1 4.18Å; L67-L71 HydrophobicContact CD1-CD1 3.47Å; L67-L71 VanDerWaalsContact CD1-CD1 3.47Å; L67-L71 HydrophobicContact CG-CD1 3.94Å; L67-L71 WeakPolarHBondContact O-CB 3.31Å; L67-L71 PolarHBondContact O-N 3.28Å; L67-L71 VanDerWaalsContact O-N 3.14Å
68	P	58	Low	57.1	Low	34 Å²	34	41 Å²	41	22%	0.221	25%	0.249	C	C	.	.	H	α-helix	trans	-67.6	-35.1	177.1	23.5	-31.6	0	0	0	112.8	T64 L65 C70 A72 S112	T64-P68 VanDerWaalsContact O-CD 3.28Å; T64-P68 WeakPolarHBondContact O-CD 3.48Å; L65-P68 WeakPolarHBondContact O-CD 3.19Å; L65-P68 WeakPolarHBondContact O-CG 3.37Å; P68-C70 PolarHBondContact O-N 3.33Å; P68-A72 WeakPolarHBondContact O-CB 3.44Å; P68-A72 PolarHBondContact O-N 3.32Å; P68-S112 VanDerWaalsContact CB-OG 3.25Å; P68-S112 WeakPolarHBondContact CB-OG 3.16Å
69	L	60	Low	57.1	Low	9 Å²	9	39.8 Å²	39.8	5%	0.047	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-40.9	178.3	-167.3	86.1	0	0	0	112.4	L12 L65 Y106 A109	L12-L69 HydrophobicContact CD2-CD2 4.08Å; L65-L69 WeakPolarHBondContact O-CB 3.42Å; L65-L69 PolarHBondContact O-N 2.97Å; L69-Y106 HydrophobicContact CD1-CD1 3.73Å; L69-Y106 HydrophobicContact CD1-CE1 3.99Å; L69-A109 HydrophobicContact CB-CB 4.37Å; L69-A109 HydrophobicContact CD1-CB 3.74Å
70	C	61	Low	56.8	Low	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-86.2	-27.6	-175.3	-61.1	0	0	0	0	113.6	L46 L66 P68 P74	L46-C70 HydrophobicContact CB-CB 4.25Å; L46-C70 HydrophobicContact CD1-CB 4.03Å; L66-C70 WeakPolarHBondContact O-CB 3.49Å; L66-C70 PolarHBondContact O-N 3.42Å; L66-C70 PolarHBondContact O-SG 2.91Å; P68-C70 PolarHBondContact O-N 3.33Å; C70-P74 WeakPolarHBondContact O-CD 3.35Å
71	L	61.2	Low	56.8	Low	39 Å²	39	44 Å²	44	20%	0.204	24%	0.244	C	C	.	.	H	α-helix	trans	-107.6	-15.6	-171.7	-62.4	176	0	0	0	114.6	W39 L67 T73 P74 L75	W39-L71 HydrophobicContact CE3-CD2 4.24Å; W39-L71 HydrophobicContact CZ3-CD2 4.01Å; L67-L71 HydrophobicContact CD1-CD1 3.47Å; L67-L71 VanDerWaalsContact CD1-CD1 3.47Å; L67-L71 HydrophobicContact CG-CD1 3.94Å; L67-L71 WeakPolarHBondContact O-CB 3.31Å; L67-L71 PolarHBondContact O-N 3.28Å; L67-L71 VanDerWaalsContact O-N 3.14Å; L71-T73 PolarHBondContact O-N 3.32Å; L71-P74 WeakPolarHBondContact O-CD 3.38Å; L71-P74 WeakPolarHBondContact O-CG 3.39Å; L71-L75 WeakPolarHBondContact O-CB 3.36Å; L71-L75 PolarHBondContact O-N 2.81Å; L71-L75 VanDerWaalsContact O-N 3.13Å
72	A	61.1	Low	56.9	Low	25 Å²	25	42.8 Å²	42.8	21%	0.207	24%	0.242	C	C	.	.	H	α-helix	trans	-65.7	-36.4	179.1	0	0	0	0	0	113.1	P68 T76	P68-A72 WeakPolarHBondContact O-CB 3.44Å; P68-A72 PolarHBondContact O-N 3.32Å; A72-T76 WeakPolarHBondContact O-CB 3.44Å; A72-T76 VanDerWaalsContact O-CG2 3.28Å; A72-T76 WeakPolarHBondContact O-CG2 3.38Å; A72-T76 PolarHBondContact O-N 2.98Å; A72-T76 PolarHBondContact O-OG1 2.9Å
73	T	57.6	Low	56.5	Low	22 Å²	22	48 Å²	48	14%	0.135	27%	0.273	C	S	.	.	H	α-helix	trans	-70.4	-47.1	179	46.3	0	0	0	0	113.5	L71 L75 T76 V77	L71-T73 PolarHBondContact O-N 3.32Å; T73-L75 VanDerWaalsContact C-N 3.33Å; T73-L75 PolarHBondContact O-N 3.27Å; T73-T76 PolarHBondContact O-OG1 3.2Å; T73-V77 WeakPolarHBondContact O-CG2 3.36Å; T73-V77 PolarHBondContact O-N 3.31Å
74	P	61.3	Low	56.1	Low	2 Å²	2	49.6 Å²	49.6	1%	0.013	28%	0.284	C	S	.	.	H	α-helix	trans	-66.4	-33.3	173.6	23.8	-32.8	0	0	0	112.5	W39 C70 L71 S78	W39-P74 HydrophobicContact CD2-CB 4.39Å; C70-P74 WeakPolarHBondContact O-CD 3.35Å; L71-P74 WeakPolarHBondContact O-CD 3.38Å; L71-P74 WeakPolarHBondContact O-CG 3.39Å; P74-S78 VanDerWaalsContact O-CB 3.29Å; P74-S78 WeakPolarHBondContact O-CB 3.39Å; P74-S78 PolarHBondContact O-N 3Å; P74-S78 PolarHBondContact O-OG 2.85Å
75	L	60.3	Low	56	Low	76 Å²	76	51.3 Å²	51.3	40%	0.398	31%	0.311	S	S	.	.	H	α-helix	trans	-65.3	-46.8	177.5	-165.8	91.2	0	0	0	111.9	W39 L71 T73 S78 L79	W39-L75 HydrophobicContact CH2-CD1 4.17Å; W39-L75 HydrophobicContact CZ2-CD1 4.34Å; L71-L75 WeakPolarHBondContact O-CB 3.36Å; L71-L75 PolarHBondContact O-N 2.81Å; L71-L75 VanDerWaalsContact O-N 3.13Å; T73-L75 VanDerWaalsContact C-N 3.33Å; T73-L75 PolarHBondContact O-N 3.27Å; L75-S78 PolarHBondContact O-N 3.3Å; L75-L79 WeakPolarHBondContact O-CB 3.48Å; L75-L79 PolarHBondContact O-N 3.03Å
76	T	57.9	Low	55.2	Low	84 Å²	84	54.4 Å²	54.4	52%	0.515	34%	0.338	S	S	.	.	H	α-helix	trans	-67.4	-36.7	-179.8	48.4	0	0	0	0	112.9	A72 T73 R80	A72-T76 WeakPolarHBondContact O-CB 3.44Å; A72-T76 VanDerWaalsContact O-CG2 3.28Å; A72-T76 WeakPolarHBondContact O-CG2 3.38Å; A72-T76 PolarHBondContact O-N 2.98Å; A72-T76 PolarHBondContact O-OG1 2.9Å; T73-T76 PolarHBondContact O-OG1 3.2Å; T76-R80 WeakPolarHBondContact O-CB 3.37Å; T76-R80 PolarHBondContact O-N 2.87Å; T76-R80 VanDerWaalsContact O-N 3.09Å
77	V	59.1	Low	54.1	Low	20 Å²	20	59.9 Å²	59.9	12%	0.121	38%	0.377	C	S	.	.	H	α-helix	trans	-69.1	-40.7	174.6	174.6	0	0	0	0	111.2	L38 T73 R80 A81 P90	L38-V77 HydrophobicContact CD1-CG1 4.22Å; T73-V77 WeakPolarHBondContact O-CG2 3.36Å; T73-V77 PolarHBondContact O-N 3.31Å; V77-R80 PolarHBondContact O-N 2.66Å; V77-A81 WeakPolarHBondContact O-CB 3.43Å; V77-A81 PolarHBondContact O-N 3.44Å; V77-P90 HydrophobicContact CG1-CB 4.22Å
78	S	57.8	Low	53.2	Low	19 Å²	19	66.4 Å²	66.4	13%	0.133	40%	0.395	C	S	.	.	H	α-helix	trans	-64.2	-41.7	175.2	-57.1	0	0	0	0	111.8	W39 P74 L75 L82	W39-S78 PolarHBondContact NE1-OG 3.16Å; P74-S78 VanDerWaalsContact O-CB 3.29Å; P74-S78 WeakPolarHBondContact O-CB 3.39Å; P74-S78 PolarHBondContact O-N 3Å; P74-S78 PolarHBondContact O-OG 2.85Å; L75-S78 PolarHBondContact O-N 3.3Å; S78-L82 PolarHBondContact O-N 3.26Å
79	L	52.6	Low	52.5	Low	57 Å²	57	69.4 Å²	69.4	30%	0.298	42%	0.422	S	S	.	.	H	α-helix	trans	-64.9	-41.7	178.7	-135.5	97.3	0	0	0	111.9	L75 L82 V83 L294 L298	L75-L79 WeakPolarHBondContact O-CB 3.48Å; L75-L79 PolarHBondContact O-N 3.03Å; L79-L82 PolarHBondContact O-N 3.5Å; L79-V83 WeakPolarHBondContact O-CB 3.45Å; L79-V83 VanDerWaalsContact O-CG2 3.25Å; L79-V83 WeakPolarHBondContact O-CG2 3.38Å; L79-V83 PolarHBondContact O-N 3.31Å; L79-V83 VanDerWaalsContact O-N 3.12Å; L79-L294 HydrophobicContact CD1-CD2 4.47Å; L79-L298 HydrophobicContact CD1-CD2 4.28Å; L79-L298 HydrophobicContact CD2-CD2 3.89Å
80	R	49.6	Very low	51.9	Low	171 Å²	171	72.5 Å²	72.5	65%	0.645	44%	0.443	S	S	*	.	H	α-helix	trans	-74.6	-35.2	-177.6	-159.9	175.6	-165.9	165.7	3.8	112.7	T76 V77 L82 A84	T76-R80 WeakPolarHBondContact O-CB 3.37Å; T76-R80 PolarHBondContact O-N 2.87Å; T76-R80 VanDerWaalsContact O-N 3.09Å; V77-R80 PolarHBondContact O-N 2.66Å; R80-L82 VanDerWaalsContact C-N 3.28Å; R80-L82 PolarHBondContact O-N 3.12Å; R80-A84 WeakPolarHBondContact O-CB 3.29Å; R80-A84 PolarHBondContact O-N 3.18Å
81	A	52.8	Low	51.3	Low	55 Å²	55	74.9 Å²	74.9	46%	0.455	46%	0.458	S	S	.	.	H	α-helix	trans	-65.2	-31.7	174	0	0	0	0	0	112.3	V77	V77-A81 WeakPolarHBondContact O-CB 3.43Å; V77-A81 PolarHBondContact O-N 3.44Å
82	L	50.5	Low	50.9	Low	91 Å²	91	75.6 Å²	75.6	48%	0.476	47%	0.47	S	S	.	.	H	α-helix	trans	-82.1	-33.4	177.5	-108.1	89.8	0	0	0	114.2	S78 L79 R80 R291	S78-L82 PolarHBondContact O-N 3.26Å; L79-L82 PolarHBondContact O-N 3.5Å; R80-L82 VanDerWaalsContact C-N 3.28Å; R80-L82 PolarHBondContact O-N 3.12Å; L82-R291 HydrophobicContact CD2-CG 3.97Å
83	V	45.1	Very low	50.7	Low	117 Å²	117	77.8 Å²	77.8	71%	0.709	47%	0.473	S	S	*	.	H	α-helix	trans	-84	-30.6	-173.5	170	0	0	0	0	113.4	L79	L79-V83 WeakPolarHBondContact O-CB 3.45Å; L79-V83 VanDerWaalsContact O-CG2 3.25Å; L79-V83 WeakPolarHBondContact O-CG2 3.38Å; L79-V83 PolarHBondContact O-N 3.31Å; L79-V83 VanDerWaalsContact O-N 3.12Å
84	A	45.5	Very low	50.5	Low	63 Å²	63	77.6 Å²	77.6	52%	0.521	47%	0.472	S	S	.	.			trans	-99.6	-15.2	-162.4	0	0	0	0	0	116.8	R80 A86	R80-A84 WeakPolarHBondContact O-CB 3.29Å; R80-A84 PolarHBondContact O-N 3.18Å; A84-A86 WeakPolarHBondContact O-CB 3.46Å; A84-A86 PolarHBondContact O-N 3.17Å
85	G	52.7	Low	50.1	Low	85 Å²	85	78 Å²	78	88%	0.876	48%	0.475	S	S	*	.			trans	54.6	-1.4	177	0	0	0	0	0	118.2
86	A	35.8	Very low	49.7	Very low	72 Å²	72	78.1 Å²	78.1	60%	0.595	48%	0.482	S	S	*	.	S	Bend	trans	-137.2	116.6	-165.1	0	0	0	0	0	114.8	A84 R88	A84-A86 WeakPolarHBondContact O-CB 3.46Å; A84-A86 PolarHBondContact O-N 3.17Å; A86-R88 PolarHBondContact O-N 3.44Å
87	S	38.2	Very low	49.7	Very low	119 Å²	119	75 Å²	75	83%	0.832	47%	0.465	S	S	*	.	S	Bend	trans	63	22.7	130.3	72.5	0	0	0	0	123.1
88	R	39.8	Very low	49.7	Very low	235 Å²	235	77.8 Å²	77.8	89%	0.887	48%	0.484	S	S	*	.			trans	-137.8	121.4	150.5	-80	-172.6	175.3	163.5	-1.6	110.8	A86	A86-R88 PolarHBondContact O-N 3.44Å
89	A	42.6	Very low	49.7	Very low	97 Å²	97	85.3 Å²	85.3	80%	0.802	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-52	128.9	175.2	0	0	0	0	0	109.8
90	P	46.8	Very low	49.6	Very low	74 Å²	74	86.1 Å²	86.1	48%	0.481	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-60.2	144.9	174.7	25.6	-32.2	0	0	0	109	V77 A92	V77-P90 HydrophobicContact CG1-CB 4.22Å; P90-A92 PolarHBondContact O-N 3.36Å
91	P	49.5	Very low	49.9	Very low	50 Å²	50	83.9 Å²	83.9	33%	0.325	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-57.6	127.6	173.3	24	-31.4	0	0	0	108.6	R93	P91-R93 PolarHBondContact O-N 3.28Å; P91-R93 VanDerWaalsContact O-N 3.09Å
92	A	52.8	Low	50.2	Low	54 Å²	54	82.3 Å²	82.3	45%	0.446	50%	0.495	S	S	.	.	S	Bend	trans	-66.1	-12.5	-172	0	0	0	0	0	114	P90	P90-A92 PolarHBondContact O-N 3.36Å
93	R	56	Low	50.5	Low	70 Å²	70	82.7 Å²	82.7	26%	0.264	50%	0.497	S	S	.	.			trans	-148.3	146.5	177.8	-63.1	-175.5	-177.9	162.4	1.9	111.4	G28 P91 A95 S96	G28-R93 PolarHBondContact O-NH2 2.89Å; P91-R93 PolarHBondContact O-N 3.28Å; P91-R93 VanDerWaalsContact O-N 3.09Å; R93-A95 VanDerWaalsContact C-N 3.28Å; R93-S96 PolarHBondContact O-N 3.31Å; R93-S96 PolarHBondContact O-OG 2.89Å
94	V	53.3	Low	51	Low	19 Å²	19	82.3 Å²	82.3	12%	0.115	50%	0.495	C	S	.	.	G	3₁₀ helix	trans	-67	-35.5	171	166.9	0	0	0	0	110.2	L20 L38 E41 S96 A97 L102	L20-V94 HydrophobicContact CD2-CG1 4.22Å; L38-V94 HydrophobicContact CD2-CG2 3.62Å; E41-V94 PolarHBondContact OE2-N 3.38Å; E41-V94 VanDerWaalsContact OE2-N 3.16Å; V94-S96 VanDerWaalsContact C-N 3.26Å; V94-S96 PolarHBondContact O-N 3.46Å; V94-A97 WeakPolarHBondContact O-CB 3.49Å; V94-A97 PolarHBondContact O-N 3.45Å; V94-L102 HydrophobicContact CG1-CD2 4.43Å
95	A	53.1	Low	51.6	Low	10 Å²	10	79.9 Å²	79.9	8%	0.083	48%	0.476	C	S	.	.	G	3₁₀ helix	trans	-61.3	-25.4	178.7	0	0	0	0	0	114.7	Q24 E41 R93	Q24-A95 HydrophobicContact CG-CB 3.7Å; Q24-A95 PolarHBondContact NE2-O 2.89Å; E41-A95 WeakPolarHBondContact OE1-CB 3.18Å; E41-A95 PolarHBondContact OE1-N 3.49Å; R93-A95 VanDerWaalsContact C-N 3.28Å
96	S	53.3	Low	52	Low	79 Å²	79	77.3 Å²	77.3	55%	0.552	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-97.5	8.1	178.8	59.1	0	0	0	0	113.9	R93 V94	R93-S96 PolarHBondContact O-N 3.31Å; R93-S96 PolarHBondContact O-OG 2.89Å; V94-S96 VanDerWaalsContact C-N 3.26Å; V94-S96 PolarHBondContact O-N 3.46Å
97	A	57.3	Low	53.1	Low	19 Å²	19	75.6 Å²	75.6	16%	0.157	43%	0.429	C	S	.	.	S	Bend	trans	-74.1	140.6	-177.5	0	0	0	0	0	111.6	V94 W101	V94-A97 WeakPolarHBondContact O-CB 3.49Å; V94-A97 PolarHBondContact O-N 3.45Å; A97-W101 HydrophobicContact CB-CB 4.18Å
98	P	59.2	Low	54	Low	78 Å²	78	72 Å²	72	51%	0.506	41%	0.407	S	S	.	.			trans	-61.1	148.3	176.1	13.4	-16.6	0	0	0	111.2	S100 W101	P98-S100 PolarHBondContact O-N 3.45Å; P98-W101 WeakPolarHBondContact O-CB 3.2Å; P98-W101 PolarHBondContact O-N 3.46Å
99	W	56.5	Low	54.7	Low	177 Å²	177	60.8 Å²	60.8	67%	0.67	37%	0.365	S	S	*	.	H	α-helix	trans	-52.9	-29	-173.7	-167.5	-104	0	0	0	114.2	W101 L102 L103	W99-W101 VanDerWaalsContact C-N 3.3Å; W99-W101 PolarHBondContact O-N 2.91Å; W99-L102 HydrophobicContact CE3-CD1 4.21Å; W99-L102 PolarHBondContact O-N 3.48Å; W99-L103 VanDerWaalsContact CD1-CD1 3.44Å; W99-L103 HydrophobicContact CG-CD1 4.43Å; W99-L103 PolarHBondContact O-N 3.35Å
100	S	52.3	Low	55.2	Low	73 Å²	73	56.9 Å²	56.9	51%	0.51	33%	0.334	S	S	.	.	H	α-helix	trans	-60.6	-33	173.7	52.9	0	0	0	0	113.9	P98 V104	P98-S100 PolarHBondContact O-N 3.45Å; S100-V104 WeakPolarHBondContact O-CG2 3.45Å; S100-V104 PolarHBondContact O-N 3.49Å
101	W	56	Low	55.7	Low	124 Å²	124	59.1 Å²	59.1	47%	0.47	34%	0.341	S	S	.	.	H	α-helix	trans	-77.6	-38.2	177.6	-79.6	69.1	0	0	0	112.6	A97 P98 W99 L103 V104 G105	A97-W101 HydrophobicContact CB-CB 4.18Å; P98-W101 WeakPolarHBondContact O-CB 3.2Å; P98-W101 PolarHBondContact O-N 3.46Å; W99-W101 VanDerWaalsContact C-N 3.3Å; W99-W101 PolarHBondContact O-N 2.91Å; W101-L103 VanDerWaalsContact C-N 3.32Å; W101-V104 PolarHBondContact O-N 3.14Å; W101-G105 PolarHBondContact O-N 2.82Å
102	L	58.1	Low	55.9	Low	22 Å²	22	58.9 Å²	58.9	12%	0.115	34%	0.341	C	S	.	.	H	α-helix	trans	-63.6	-41.4	174.4	-73.2	167.5	0	0	0	110.5	L20 V94 W99 V104 G105 Y106	L20-L102 HydrophobicContact CD1-CD2 4.23Å; V94-L102 HydrophobicContact CG1-CD2 4.43Å; W99-L102 HydrophobicContact CE3-CD1 4.21Å; W99-L102 PolarHBondContact O-N 3.48Å; L102-V104 VanDerWaalsContact C-N 3.34Å; L102-V104 PolarHBondContact O-N 2.96Å; L102-G105 PolarHBondContact O-N 3.33Å; L102-Y106 HydrophobicContact CB-CD2 4.23Å; L102-Y106 HydrophobicContact CB-CE2 3.87Å; L102-Y106 HydrophobicContact CD2-CE2 4.46Å; L102-Y106 WeakPolarHBondContact O-CB 3.31Å; L102-Y106 WeakPolarHBondContact O-CD2 3.33Å; L102-Y106 VanDerWaalsContact O-CG 3.31Å; L102-Y106 PolarHBondContact O-N 3.15Å
103	L	56.7	Low	56	Low	99 Å²	99	58 Å²	58	52%	0.518	33%	0.326	S	S	.	.	H	α-helix	trans	-58.9	-39.7	174.2	-85.9	159.5	0	0	0	113.4	W99 W101 G107	W99-L103 VanDerWaalsContact CD1-CD1 3.44Å; W99-L103 HydrophobicContact CG-CD1 4.43Å; W99-L103 PolarHBondContact O-N 3.35Å; W101-L103 VanDerWaalsContact C-N 3.32Å; L103-G107 PolarHBondContact O-N 3.41Å
104	V	56.3	Low	55.8	Low	109 Å²	109	57 Å²	57	66%	0.661	33%	0.33	S	S	*	.	H	α-helix	trans	-68.2	-39.9	175.3	173.3	0	0	0	0	111.2	S100 W101 L102 G107 A108	S100-V104 WeakPolarHBondContact O-CG2 3.45Å; S100-V104 PolarHBondContact O-N 3.49Å; W101-V104 PolarHBondContact O-N 3.14Å; L102-V104 VanDerWaalsContact C-N 3.34Å; L102-V104 PolarHBondContact O-N 2.96Å; V104-G107 PolarHBondContact O-N 3.49Å; V104-A108 WeakPolarHBondContact O-CB 3.3Å; V104-A108 PolarHBondContact O-N 3.22Å
105	G	57	Low	55.7	Low	13 Å²	13	61 Å²	61	13%	0.134	35%	0.35	C	S	.	.	H	α-helix	trans	-63.6	-44.4	174.2	0	0	0	0	0	112.9	W101 L102 A108 A109	W101-G105 PolarHBondContact O-N 2.82Å; L102-G105 PolarHBondContact O-N 3.33Å; G105-A108 PolarHBondContact O-N 3.27Å; G105-A109 WeakPolarHBondContact O-CB 3.32Å; G105-A109 PolarHBondContact O-N 2.79Å
106	Y	61.3	Low	55.7	Low	30 Å²	30	66.1 Å²	66.1	12%	0.118	37%	0.367	C	S	.	.	H	α-helix	trans	-66.8	-36.7	174.9	-66.3	-50.4	0	0	0	112.3	L13 D16 L69 L102 G110	L13-Y106 HydrophobicContact CD2-CD1 3.3Å; L13-Y106 HydrophobicContact CD2-CD2 4.33Å; L13-Y106 HydrophobicContact CD2-CE1 3.35Å; L13-Y106 HydrophobicContact CD2-CE2 4.36Å; L13-Y106 HydrophobicContact CD2-CG 3.85Å; D16-Y106 VanDerWaalsContact OD2-CE1 3.3Å; D16-Y106 WeakPolarHBondContact OD2-CE1 2.97Å; D16-Y106 PolarHBondContact OD2-OH 3.31Å; D16-Y106 VanDerWaalsContact OD2-OH 3.12Å; L69-Y106 HydrophobicContact CD1-CD1 3.73Å; L69-Y106 HydrophobicContact CD1-CE1 3.99Å; L102-Y106 HydrophobicContact CB-CD2 4.23Å; L102-Y106 HydrophobicContact CB-CE2 3.87Å; L102-Y106 HydrophobicContact CD2-CE2 4.46Å; L102-Y106 WeakPolarHBondContact O-CB 3.31Å; L102-Y106 WeakPolarHBondContact O-CD2 3.33Å; L102-Y106 VanDerWaalsContact O-CG 3.31Å; L102-Y106 PolarHBondContact O-N 3.15Å; Y106-G110 PolarHBondContact O-N 3.3Å
107	G	58.3	Low	55.5	Low	36 Å²	36	64.5 Å²	64.5	37%	0.371	36%	0.359	S	S	.	.	H	α-helix	trans	-64	-42.6	172.4	0	0	0	0	0	112.7	L103 V104 G110 L111	L103-G107 PolarHBondContact O-N 3.41Å; V104-G107 PolarHBondContact O-N 3.49Å; G107-G110 PolarHBondContact O-N 3.13Å; G107-L111 WeakPolarHBondContact O-CB 3.38Å; G107-L111 WeakPolarHBondContact O-CG 3.26Å; G107-L111 PolarHBondContact O-N 3.01Å
108	A	57.5	Low	55	Low	43 Å²	43	69.7 Å²	69.7	36%	0.355	39%	0.388	S	S	.	.	H	α-helix	trans	-67.6	-40.6	176	0	0	0	0	0	112.4	V104 G105 L111 S112	V104-A108 WeakPolarHBondContact O-CB 3.3Å; V104-A108 PolarHBondContact O-N 3.22Å; G105-A108 PolarHBondContact O-N 3.27Å; A108-L111 PolarHBondContact O-N 2.61Å; A108-S112 WeakPolarHBondContact O-CB 3.43Å; A108-S112 PolarHBondContact O-N 3.05Å
109	A	54.4	Low	54.3	Low	1 Å²	1	67.5 Å²	67.5	1%	0.008	37%	0.372	C	S	.	.	H	α-helix	trans	-64.4	-41.6	173.6	0	0	0	0	0	111.4	L69 G105 S112 W113	L69-A109 HydrophobicContact CB-CB 4.37Å; L69-A109 HydrophobicContact CD1-CB 3.74Å; G105-A109 WeakPolarHBondContact O-CB 3.32Å; G105-A109 PolarHBondContact O-N 2.79Å; A109-S112 PolarHBondContact O-N 3.32Å; A109-S112 PolarHBondContact O-OG 2.88Å; A109-W113 WeakPolarHBondContact O-CB 3.48Å; A109-W113 PolarHBondContact O-N 2.96Å
110	G	54.6	Low	53.7	Low	15 Å²	15	61 Å²	61	16%	0.155	35%	0.354	C	S	.	.	H	α-helix	trans	-64.5	-40.1	173.9	0	0	0	0	0	113.5	Y106 G107 W113 S114	Y106-G110 PolarHBondContact O-N 3.3Å; G107-G110 PolarHBondContact O-N 3.13Å; G110-W113 PolarHBondContact O-N 3.48Å; G110-S114 WeakPolarHBondContact O-CB 3.4Å; G110-S114 PolarHBondContact O-N 3.09Å; G110-S114 PolarHBondContact O-OG 2.64Å
111	L	55.9	Low	53.4	Low	121 Å²	121	60.9 Å²	60.9	63%	0.634	35%	0.351	S	S	*	.	H	α-helix	trans	-63	-45.9	171.8	-82.4	163.2	0	0	0	111	G107 A108 W113 S114 L115	G107-L111 WeakPolarHBondContact O-CB 3.38Å; G107-L111 WeakPolarHBondContact O-CG 3.26Å; G107-L111 PolarHBondContact O-N 3.01Å; A108-L111 PolarHBondContact O-N 2.61Å; L111-W113 VanDerWaalsContact C-N 3.31Å; L111-W113 PolarHBondContact O-N 3.13Å; L111-S114 WeakPolarHBondContact CA-OG 3.4Å; L111-S114 PolarHBondContact O-N 2.98Å; L111-S114 PolarHBondContact O-OG 2.84Å; L111-L115 WeakPolarHBondContact O-CB 3.5Å; L111-L115 PolarHBondContact O-N 3.49Å
112	S	54.5	Low	52.4	Low	44 Å²	44	61.7 Å²	61.7	31%	0.308	37%	0.372	S	S	.	.	H	α-helix	trans	-61.9	-37.6	176.9	81.2	0	0	0	0	112.7	P68 A108 A109 L115 W116	P68-S112 VanDerWaalsContact CB-OG 3.25Å; P68-S112 WeakPolarHBondContact CB-OG 3.16Å; A108-S112 WeakPolarHBondContact O-CB 3.43Å; A108-S112 PolarHBondContact O-N 3.05Å; A109-S112 PolarHBondContact O-N 3.32Å; A109-S112 PolarHBondContact O-OG 2.88Å; S112-L115 WeakPolarHBondContact O-CB 3.32Å; S112-L115 PolarHBondContact O-N 2.8Å; S112-W116 VanDerWaalsContact O-CB 3.3Å; S112-W116 WeakPolarHBondContact O-CB 3.31Å; S112-W116 PolarHBondContact O-N 2.78Å
113	W	55.6	Low	51.6	Low	36 Å²	36	62.3 Å²	62.3	14%	0.136	38%	0.384	C	S	.	.	H	α-helix	trans	-72.3	-41.3	176.3	176.9	70.9	0	0	0	111.7	P4 W9 F61 L65 A109 G110 L111 L115 W116 A117	P4-W113 HydrophobicContact CB-CH2 3.88Å; P4-W113 HydrophobicContact CG-CH2 3.93Å; P4-W113 HydrophobicContact CG-CZ3 4.25Å; W9-W113 AromaticContact NE1-CE3 4Å; F61-W113 HydrophobicContact CE1-CZ2 4.45Å; L65-W113 HydrophobicContact CD1-CB 4.45Å; L65-W113 HydrophobicContact CD1-CD2 3.91Å; L65-W113 HydrophobicContact CD1-CG 3.62Å; L65-W113 HydrophobicContact CD1-CZ2 4.47Å; L65-W113 HydrophobicContact CD2-CB 4.26Å; L65-W113 HydrophobicContact CD2-CG 4.27Å; L65-W113 HydrophobicContact CG-CB 4.05Å; L65-W113 VanDerWaalsContact CG-CD1 3.46Å; L65-W113 HydrophobicContact CG-CD2 4.48Å; L65-W113 HydrophobicContact CG-CG 3.72Å; A109-W113 WeakPolarHBondContact O-CB 3.48Å; A109-W113 PolarHBondContact O-N 2.96Å; G110-W113 PolarHBondContact O-N 3.48Å; L111-W113 VanDerWaalsContact C-N 3.31Å; L111-W113 PolarHBondContact O-N 3.13Å; W113-L115 VanDerWaalsContact C-N 3.27Å; W113-L115 PolarHBondContact O-N 3.33Å; W113-W116 CarbonylContact O-C 3.57Å; W113-W116 PolarHBondContact O-N 3.39Å; W113-W116 VanDerWaalsContact O-N 3.17Å; W113-A117 VanDerWaalsContact O-CB 3.24Å; W113-A117 WeakPolarHBondContact O-CB 3.33Å; W113-A117 PolarHBondContact O-N 2.81Å
114	S	50.6	Low	50.7	Low	50 Å²	50	61.3 Å²	61.3	35%	0.35	39%	0.39	S	S	.	.	H	α-helix	trans	-62.1	-39	174.2	74.6	0	0	0	0	111	G110 L111 V118	G110-S114 WeakPolarHBondContact O-CB 3.4Å; G110-S114 PolarHBondContact O-N 3.09Å; G110-S114 PolarHBondContact O-OG 2.64Å; L111-S114 WeakPolarHBondContact CA-OG 3.4Å; L111-S114 PolarHBondContact O-N 2.98Å; L111-S114 PolarHBondContact O-OG 2.84Å; S114-V118 WeakPolarHBondContact O-CB 3.37Å; S114-V118 WeakPolarHBondContact O-CG2 3.48Å; S114-V118 PolarHBondContact O-N 3.17Å
115	L	51	Low	49.7	Very low	103 Å²	103	64.4 Å²	64.4	54%	0.539	40%	0.397	S	S	.	.	H	α-helix	trans	-62.7	-48.6	172.1	-142	89.2	0	0	0	110.1	L111 S112 W113 A117 V118 L119	L111-L115 WeakPolarHBondContact O-CB 3.5Å; L111-L115 PolarHBondContact O-N 3.49Å; S112-L115 WeakPolarHBondContact O-CB 3.32Å; S112-L115 PolarHBondContact O-N 2.8Å; W113-L115 VanDerWaalsContact C-N 3.27Å; W113-L115 PolarHBondContact O-N 3.33Å; L115-A117 PolarHBondContact O-N 2.86Å; L115-V118 PolarHBondContact O-N 2.84Å; L115-L119 HydrophobicContact CB-CD1 4.45Å; L115-L119 HydrophobicContact CD2-CD1 4.04Å; L115-L119 HydrophobicContact CG-CD1 4.06Å; L115-L119 WeakPolarHBondContact O-CB 3.37Å; L115-L119 VanDerWaalsContact O-CD1 3.23Å; L115-L119 WeakPolarHBondContact O-CD1 3.43Å; L115-L119 WeakPolarHBondContact O-CG 3.31Å; L115-L119 PolarHBondContact O-N 3.04Å
116	W	52.9	Low	48.8	Very low	116 Å²	116	71.5 Å²	71.5	44%	0.439	43%	0.427	S	S	.	.	H	α-helix	trans	-64.7	-38.5	-179.7	-170.1	83.9	0	0	0	112.9	T64 S112 W113 L119 S120	T64-W116 HydrophobicContact CG2-CD2 4.47Å; T64-W116 HydrophobicContact CG2-CE3 4.44Å; T64-W116 HydrophobicContact CG2-CH2 3.2Å; T64-W116 HydrophobicContact CG2-CZ2 3.17Å; T64-W116 HydrophobicContact CG2-CZ3 3.86Å; T64-W116 WeakPolarHBondContact OG1-CH2 3.45Å; T64-W116 WeakPolarHBondContact OG1-CZ3 3.41Å; S112-W116 VanDerWaalsContact O-CB 3.3Å; S112-W116 WeakPolarHBondContact O-CB 3.31Å; S112-W116 PolarHBondContact O-N 2.78Å; W113-W116 CarbonylContact O-C 3.57Å; W113-W116 PolarHBondContact O-N 3.39Å; W113-W116 VanDerWaalsContact O-N 3.17Å; W116-L119 CarbonylContact O-C 3.51Å; W116-L119 PolarHBondContact O-N 3.34Å; W116-S120 WeakPolarHBondContact O-CB 3.49Å; W116-S120 PolarHBondContact O-N 3.32Å; W116-S120 PolarHBondContact O-OG 2.99Å
117	A	48.9	Very low	48.2	Very low	46 Å²	46	75.1 Å²	75.1	38%	0.38	44%	0.443	S	S	.	.	H	α-helix	trans	-68.4	-39.3	176.3	0	0	0	0	0	111.8	W113 L115 L119 S120	W113-A117 VanDerWaalsContact O-CB 3.24Å; W113-A117 WeakPolarHBondContact O-CB 3.33Å; W113-A117 PolarHBondContact O-N 2.81Å; L115-A117 PolarHBondContact O-N 2.86Å; A117-L119 VanDerWaalsContact C-N 3.29Å; A117-S120 PolarHBondContact O-N 2.82Å
118	V	48.3	Very low	47.5	Very low	127 Å²	127	79.9 Å²	79.9	77%	0.77	46%	0.456	S	S	*	.	H	α-helix	trans	-69.1	-29.3	171.5	171	0	0	0	0	111.6	S114 L115	S114-V118 WeakPolarHBondContact O-CB 3.37Å; S114-V118 WeakPolarHBondContact O-CG2 3.48Å; S114-V118 PolarHBondContact O-N 3.17Å; L115-V118 PolarHBondContact O-N 2.84Å
119	L	44.7	Very low	47	Very low	33 Å²	33	85.6 Å²	85.6	17%	0.173	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-2.8	177.9	-70.1	164.6	0	0	0	113.9	L115 W116 A117 A305 K308 V309	L115-L119 HydrophobicContact CB-CD1 4.45Å; L115-L119 HydrophobicContact CD2-CD1 4.04Å; L115-L119 HydrophobicContact CG-CD1 4.06Å; L115-L119 WeakPolarHBondContact O-CB 3.37Å; L115-L119 VanDerWaalsContact O-CD1 3.23Å; L115-L119 WeakPolarHBondContact O-CD1 3.43Å; L115-L119 WeakPolarHBondContact O-CG 3.31Å; L115-L119 PolarHBondContact O-N 3.04Å; W116-L119 CarbonylContact O-C 3.51Å; W116-L119 PolarHBondContact O-N 3.34Å; A117-L119 VanDerWaalsContact C-N 3.29Å; L119-A305 HydrophobicContact CD1-CB 4.36Å; L119-K308 HydrophobicContact CB-CD 4.45Å; L119-K308 HydrophobicContact CD2-CD 4.3Å; L119-K308 WeakPolarHBondContact O-CE 3.42Å; L119-K308 PolarHBondContact O-NZ 3.32Å; L119-V309 HydrophobicContact CD2-CG2 3.51Å
120	S	43.2	Very low	47.1	Very low	41 Å²	41	90.4 Å²	90.4	29%	0.287	50%	0.501	S	S	.	.	S	Bend	trans	-94.5	118.4	-178.5	-63.9	0	0	0	0	110.2	W116 A117	W116-S120 WeakPolarHBondContact O-CB 3.49Å; W116-S120 PolarHBondContact O-N 3.32Å; W116-S120 PolarHBondContact O-OG 2.99Å; A117-S120 PolarHBondContact O-N 2.82Å
121	P	45.4	Very low	47.3	Very low	70 Å²	70	93 Å²	93	46%	0.455	51%	0.509	S	S	.	.			trans	-68.1	140.6	178.9	25.8	-31.4	0	0	0	111.4	G123	P121-G123 PolarHBondContact O-N 2.81Å
122	P	35.5	Very low	47.5	Very low	141 Å²	141	91.8 Å²	91.8	92%	0.916	51%	0.506	S	S	*	.	S	Bend	trans	-73.1	106	175.1	29.7	-31.2	0	0	0	109
123	G	40.8	Very low	48.2	Very low	35 Å²	35	93.5 Å²	93.5	36%	0.361	51%	0.512	S	S	.	.			trans	150.5	41.4	178.6	0	0	0	0	0	114	P121 K127	P121-G123 PolarHBondContact O-N 2.81Å; G123-K127 WeakPolarHBondContact O-CD 3.29Å; G123-K127 WeakPolarHBondContact O-CG 3.42Å
124	A	38.9	Very low	49.1	Very low	78 Å²	78	93 Å²	93	65%	0.645	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-20.9	-176.7	0	0	0	0	0	113.6
125	Q	33.7	Very low	50.3	Low	173 Å²	173	96.9 Å²	96.9	81%	0.808	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-39.9	-175.4	-76.2	-178	-44.2	0	0	114	K127	Q125-K127 VanDerWaalsContact C-N 3.32Å; Q125-K127 PolarHBondContact O-N 3.01Å
126	E	39.9	Very low	51.8	Low	162 Å²	162	96.2 Å²	96.2	76%	0.757	52%	0.522	S	S	*	.	H	α-helix	trans	-67.8	-33.2	172.8	-81.9	176.2	157.6	0	0	112.1	E128	E126-E128 VanDerWaalsContact C-N 3.29Å; E126-E128 PolarHBondContact O-N 3.29Å
127	K	47.2	Very low	53.2	Low	106 Å²	106	91.5 Å²	91.5	46%	0.461	51%	0.506	S	S	.	.	H	α-helix	trans	-66.2	-24.7	179.6	-77.9	-179.6	-179.8	178.8	0	114.4	G123 Q125 Q131	G123-K127 WeakPolarHBondContact O-CD 3.29Å; G123-K127 WeakPolarHBondContact O-CG 3.42Å; Q125-K127 VanDerWaalsContact C-N 3.32Å; Q125-K127 PolarHBondContact O-N 3.01Å; K127-Q131 WeakPolarHBondContact O-CB 3.49Å; K127-Q131 WeakPolarHBondContact O-CG 3.42Å; K127-Q131 PolarHBondContact O-N 2.84Å
128	E	44.6	Very low	54.7	Low	136 Å²	136	91.6 Å²	91.6	64%	0.636	50%	0.499	S	S	*	.	H	α-helix	trans	-73.5	-35.2	-174.2	-143.2	169.6	-162.7	0	0	111.5	E126 V132	E126-E128 VanDerWaalsContact C-N 3.29Å; E126-E128 PolarHBondContact O-N 3.29Å; E128-V132 WeakPolarHBondContact O-CG2 3.39Å; E128-V132 PolarHBondContact O-N 3.19Å
129	Q	46.5	Very low	56.4	Low	163 Å²	163	92.9 Å²	92.9	76%	0.762	49%	0.49	S	S	*	.	H	α-helix	trans	-77.7	-42.5	179.3	-142.1	145.4	-4.8	0	0	111.8	Q131 V132 N133	Q129-Q131 VanDerWaalsContact C-N 3.29Å; Q129-Q131 PolarHBondContact O-N 2.65Å; Q129-V132 PolarHBondContact O-N 2.84Å; Q129-N133 PolarHBondContact O-N 3.37Å
130	D	57.2	Low	58.3	Low	102 Å²	102	95.3 Å²	95.3	55%	0.545	50%	0.497	S	S	.	.	H	α-helix	trans	-61.6	-36.8	171.5	-72.2	-18.4	0	0	0	111.8	V132 N133 N134	D130-V132 PolarHBondContact O-N 2.88Å; D130-N133 PolarHBondContact O-N 2.77Å; D130-N134 WeakPolarHBondContact O-CB 3.36Å; D130-N134 PolarHBondContact O-N 3.17Å; D130-N134 PolarHBondContact O-ND2 3.12Å; D130-N134 PolarHBondContact O-OD1 3.21Å
131	Q	57.8	Low	60.2	Low	71 Å²	71	93.5 Å²	93.5	33%	0.332	48%	0.484	S	S	.	.	H	α-helix	trans	-66	-36	176.9	-87.2	-178.8	2.4	0	0	113.6	K127 Q129 K135	K127-Q131 WeakPolarHBondContact O-CB 3.49Å; K127-Q131 WeakPolarHBondContact O-CG 3.42Å; K127-Q131 PolarHBondContact O-N 2.84Å; Q129-Q131 VanDerWaalsContact C-N 3.29Å; Q129-Q131 PolarHBondContact O-N 2.65Å; Q131-K135 WeakPolarHBondContact O-CG 3.47Å; Q131-K135 PolarHBondContact O-N 2.99Å; Q131-K135 VanDerWaalsContact O-N 3.14Å
132	V	60.3	Low	62	Low	94 Å²	94	94.8 Å²	94.8	57%	0.57	49%	0.486	S	S	*	.	H	α-helix	trans	-66.7	-44.6	176.8	173.4	0	0	0	0	109.9	E128 Q129 D130 N134 K135 V136	E128-V132 WeakPolarHBondContact O-CG2 3.39Å; E128-V132 PolarHBondContact O-N 3.19Å; Q129-V132 PolarHBondContact O-N 2.84Å; D130-V132 PolarHBondContact O-N 2.88Å; V132-N134 VanDerWaalsContact C-N 3.35Å; V132-N134 PolarHBondContact O-N 3.49Å; V132-K135 PolarHBondContact O-N 3.46Å; V132-V136 WeakPolarHBondContact O-CG2 3.09Å; V132-V136 PolarHBondContact O-N 2.94Å
133	N	70.1	Confident	64.4	Low	81 Å²	81	93.5 Å²	93.5	43%	0.433	47%	0.467	S	S	.	.	H	α-helix	trans	-64.5	-41.3	178.6	-147.6	15	0	0	0	111.3	Q129 D130 K135 V136 L137	Q129-N133 PolarHBondContact O-N 3.37Å; D130-N133 PolarHBondContact O-N 2.77Å; N133-K135 PolarHBondContact O-N 3.09Å; N133-V136 PolarHBondContact O-N 3.46Å; N133-L137 WeakPolarHBondContact O-CG 3.5Å; N133-L137 PolarHBondContact O-N 3.25Å
134	N	74	Confident	66.5	Low	25 Å²	25	93.1 Å²	93.1	13%	0.134	46%	0.456	C	S	.	.	H	α-helix	trans	-60.7	-40.8	177.2	-73.4	-7.7	0	0	0	113	D130 V132 V136 L137 M138 L434 V437	D130-N134 WeakPolarHBondContact O-CB 3.36Å; D130-N134 PolarHBondContact O-N 3.17Å; D130-N134 PolarHBondContact O-ND2 3.12Å; D130-N134 PolarHBondContact O-OD1 3.21Å; V132-N134 VanDerWaalsContact C-N 3.35Å; V132-N134 PolarHBondContact O-N 3.49Å; N134-V136 PolarHBondContact O-N 2.97Å; N134-L137 PolarHBondContact O-N 3.02Å; N134-M138 VanDerWaalsContact O-CG 3.3Å; N134-M138 WeakPolarHBondContact O-CG 3.44Å; N134-M138 PolarHBondContact O-N 3.06Å; N134-L434 PolarHBondContact ND2-O 3.21Å; N134-L434 VanDerWaalsContact ND2-O 3.08Å; N134-V437 HydrophobicContact CB-CB 4.26Å; N134-V437 HydrophobicContact CB-CG1 4.3Å; N134-V437 HydrophobicContact CB-CG2 3.95Å; N134-V437 WeakPolarHBondContact OD1-CB 3.31Å
135	K	76.3	Confident	68.7	Low	132 Å²	132	89.6 Å²	89.6	57%	0.574	43%	0.427	S	S	*	.	H	α-helix	trans	-63.4	-40.4	176.3	-73.9	172.9	-173.9	174.7	0	112.1	Q131 V132 N133 M138 W139	Q131-K135 WeakPolarHBondContact O-CG 3.47Å; Q131-K135 PolarHBondContact O-N 2.99Å; Q131-K135 VanDerWaalsContact O-N 3.14Å; V132-K135 PolarHBondContact O-N 3.46Å; N133-K135 PolarHBondContact O-N 3.09Å; K135-M138 PolarHBondContact O-N 3.45Å; K135-W139 WeakPolarHBondContact O-CB 3.39Å; K135-W139 PolarHBondContact O-N 3.13Å
136	V	82	Confident	71.2	Confident	88 Å²	88	87.6 Å²	87.6	53%	0.533	41%	0.412	S	S	.	.	H	α-helix	trans	-63.5	-45.9	177.5	175.4	0	0	0	0	110.4	V132 N133 N134 W139 R140	V132-V136 WeakPolarHBondContact O-CG2 3.09Å; V132-V136 PolarHBondContact O-N 2.94Å; N133-V136 PolarHBondContact O-N 3.46Å; N134-V136 PolarHBondContact O-N 2.97Å; V136-W139 PolarHBondContact O-N 3.41Å; V136-R140 WeakPolarHBondContact O-CB 3.35Å; V136-R140 PolarHBondContact O-N 3.46Å
137	L	82.1	Confident	73.6	Confident	17 Å²	17	83.7 Å²	83.7	9%	0.089	40%	0.4	C	S	.	.	H	α-helix	trans	-62.8	-42.8	178.1	-66.2	167.8	0	0	0	111.9	N133 N134 R140 L141 V437 E441 F444	N133-L137 WeakPolarHBondContact O-CG 3.5Å; N133-L137 PolarHBondContact O-N 3.25Å; N134-L137 PolarHBondContact O-N 3.02Å; L137-R140 WeakPolarHBondContact O-CB 3.39Å; L137-R140 PolarHBondContact O-N 3.34Å; L137-L141 WeakPolarHBondContact O-CB 3.2Å; L137-L141 PolarHBondContact O-N 3.33Å; L137-V437 HydrophobicContact CB-CG1 3.63Å; L137-V437 HydrophobicContact CD1-CG1 3.5Å; L137-V437 HydrophobicContact CG-CG1 4.21Å; L137-E441 HydrophobicContact CD1-CB 3.87Å; L137-E441 HydrophobicContact CD1-CG 4.17Å; L137-F444 HydrophobicContact CD2-CB 4.32Å; L137-F444 HydrophobicContact CD2-CD2 3.6Å; L137-F444 HydrophobicContact CD2-CE2 4.31Å; L137-F444 HydrophobicContact CD2-CG 4.32Å
138	M	80	Confident	75.6	Confident	48 Å²	48	78.8 Å²	78.8	24%	0.236	38%	0.379	C	S	.	.	H	α-helix	trans	-60.9	-45.1	174.1	-73.9	179.8	74.2	0	0	112.1	N134 K135 R140 L141 L142 W263 M433 V437	N134-M138 VanDerWaalsContact O-CG 3.3Å; N134-M138 WeakPolarHBondContact O-CG 3.44Å; N134-M138 PolarHBondContact O-N 3.06Å; K135-M138 PolarHBondContact O-N 3.45Å; M138-R140 VanDerWaalsContact C-N 3.27Å; M138-R140 PolarHBondContact O-N 3.06Å; M138-L141 WeakPolarHBondContact O-CB 3.5Å; M138-L141 PolarHBondContact O-N 2.98Å; M138-L142 PolarHBondContact O-N 3.19Å; M138-W263 HydrophobicContact CE-CH2 4.17Å; M138-W263 HydrophobicContact CG-CH2 3.92Å; M138-W263 HydrophobicContact CG-CZ3 4.05Å; M138-W263 HydrophobicContact SD-CH2 4.16Å; M138-M433 HydrophobicContact CE-SD 4.13Å; M138-V437 HydrophobicContact CG-CG2 4.39Å
139	W	83.5	Confident	77.6	Confident	154 Å²	154	76.5 Å²	76.5	58%	0.583	37%	0.371	S	S	*	.	H	α-helix	trans	-64.8	-36.1	179.9	-157.3	85.7	0	0	0	111.7	K135 V136 L142 K143	K135-W139 WeakPolarHBondContact O-CB 3.39Å; K135-W139 PolarHBondContact O-N 3.13Å; V136-W139 PolarHBondContact O-N 3.41Å; W139-L142 PolarHBondContact O-N 3.21Å; W139-K143 HydrophobicContact CZ3-CD 4.21Å; W139-K143 WeakPolarHBondContact O-CB 3.1Å; W139-K143 PolarHBondContact O-N 3.14Å
140	R	85.1	Confident	79.8	Confident	84 Å²	84	73.5 Å²	73.5	32%	0.317	37%	0.365	S	S	.	.	H	α-helix	trans	-65.4	-42.9	173.8	-171.6	177.3	-179	162.6	-0.5	112.6	V136 L137 M138 L142 K143 L144 F444 D448	V136-R140 WeakPolarHBondContact O-CB 3.35Å; V136-R140 PolarHBondContact O-N 3.46Å; L137-R140 WeakPolarHBondContact O-CB 3.39Å; L137-R140 PolarHBondContact O-N 3.34Å; M138-R140 VanDerWaalsContact C-N 3.27Å; M138-R140 PolarHBondContact O-N 3.06Å; R140-L142 VanDerWaalsContact C-N 3.3Å; R140-L142 PolarHBondContact O-N 3.05Å; R140-K143 WeakPolarHBondContact O-CB 3.42Å; R140-K143 PolarHBondContact O-N 2.94Å; R140-K143 VanDerWaalsContact O-N 3.13Å; R140-L144 PolarHBondContact O-N 3.47Å; R140-F444 HydrophobicContact CB-CE2 4.45Å; R140-F444 HydrophobicContact CB-CZ 4.22Å; R140-F444 HydrophobicContact CG-CE1 3.98Å; R140-F444 HydrophobicContact CG-CE2 4.36Å; R140-F444 HydrophobicContact CG-CZ 3.76Å; R140-D448 IonicContact CZ-OD1 2.61Å; R140-D448 VanDerWaalsContact CZ-OD1 3.22Å; R140-D448 IonicContact CZ-OD2 3.01Å; R140-D448 IonicContact NH1-OD1 2.9Å; R140-D448 PolarHBondContact NH1-OD1 2.84Å; R140-D448 IonicContact NH1-OD2 2.78Å; R140-D448 PolarHBondContact NH1-OD2 2.88Å; R140-D448 IonicContact NH2-OD1 2.91Å; R140-D448 PolarHBondContact NH2-OD1 3.39Å; R140-D448 IonicContact NH2-OD2 3.1Å
141	L	82.6	Confident	81.3	Confident	4 Å²	4	70.7 Å²	70.7	2%	0.021	35%	0.35	C	S	.	.	H	α-helix	trans	-62.7	-38.5	175.1	-164.5	70	0	0	0	111.6	L137 M138 L144 S145 I225 M260 W263 L264 F444	L137-L141 WeakPolarHBondContact O-CB 3.2Å; L137-L141 PolarHBondContact O-N 3.33Å; M138-L141 WeakPolarHBondContact O-CB 3.5Å; M138-L141 PolarHBondContact O-N 2.98Å; L141-L144 WeakPolarHBondContact O-CB 3.49Å; L141-L144 PolarHBondContact O-N 3.1Å; L141-S145 PolarHBondContact O-N 2.89Å; L141-S145 PolarHBondContact O-OG 3.34Å; L141-S145 VanDerWaalsContact O-OG 3.11Å; L141-I225 HydrophobicContact CD1-CD1 4.42Å; L141-M260 HydrophobicContact CD1-CE 3.35Å; L141-M260 HydrophobicContact CD1-CG 3.72Å; L141-M260 HydrophobicContact CD1-SD 4.37Å; L141-W263 HydrophobicContact CD2-CE3 3.91Å; L141-W263 HydrophobicContact CD2-CZ3 4.2Å; L141-L264 HydrophobicContact CB-CD2 4.25Å; L141-L264 HydrophobicContact CD2-CB 3.5Å; L141-L264 HydrophobicContact CD2-CD2 4.06Å; L141-L264 HydrophobicContact CD2-CG 4.24Å; L141-L264 HydrophobicContact CG-CB 4.08Å; L141-L264 HydrophobicContact CG-CD2 3.77Å; L141-L264 HydrophobicContact CG-CG 4.48Å; L141-F444 HydrophobicContact CD1-CZ 4.43Å
142	L	83.1	Confident	82.8	Confident	96 Å²	96	69.1 Å²	69.1	50%	0.503	34%	0.344	S	S	.	.	H	α-helix	trans	-65.4	-39.2	172.7	-167.4	72.3	0	0	0	111.6	M138 W139 R140 L144 S145 R146 L264	M138-L142 PolarHBondContact O-N 3.19Å; W139-L142 PolarHBondContact O-N 3.21Å; R140-L142 VanDerWaalsContact C-N 3.3Å; R140-L142 PolarHBondContact O-N 3.05Å; L142-L144 VanDerWaalsContact C-N 3.31Å; L142-L144 PolarHBondContact O-N 3.48Å; L142-S145 WeakPolarHBondContact O-CB 3.49Å; L142-S145 PolarHBondContact O-N 2.69Å; L142-R146 PolarHBondContact O-N 3.02Å; L142-L264 HydrophobicContact CD1-CD2 4.43Å
143	K	87	Confident	84.3	Confident	115 Å²	115	69.3 Å²	69.3	50%	0.5	35%	0.345	S	S	.	.	H	α-helix	trans	-62.1	-37.6	175.6	-169.6	179.1	179.2	-175.8	0	112	W139 R140 S145 R146	W139-K143 HydrophobicContact CZ3-CD 4.21Å; W139-K143 WeakPolarHBondContact O-CB 3.1Å; W139-K143 PolarHBondContact O-N 3.14Å; R140-K143 WeakPolarHBondContact O-CB 3.42Å; R140-K143 PolarHBondContact O-N 2.94Å; R140-K143 VanDerWaalsContact O-N 3.13Å; K143-S145 PolarHBondContact O-N 2.98Å; K143-R146 WeakPolarHBondContact O-CB 3.35Å; K143-R146 VanDerWaalsContact O-CG 3.3Å; K143-R146 WeakPolarHBondContact O-CG 3.48Å; K143-R146 PolarHBondContact O-N 3Å
144	L	85	Confident	85.4	Confident	26 Å²	26	67.1 Å²	67.1	14%	0.136	34%	0.338	C	S	.	.	H	α-helix	trans	-63.1	-26	173.2	-84.6	152.6	0	0	0	113.3	R140 L141 L142 P147 R224 F444	R140-L144 PolarHBondContact O-N 3.47Å; L141-L144 WeakPolarHBondContact O-CB 3.49Å; L141-L144 PolarHBondContact O-N 3.1Å; L142-L144 VanDerWaalsContact C-N 3.31Å; L142-L144 PolarHBondContact O-N 3.48Å; L144-P147 WeakPolarHBondContact O-CD 3.27Å; L144-R224 PolarHBondContact O-NH1 2.83Å; L144-F444 HydrophobicContact CD1-CE1 3.67Å; L144-F444 HydrophobicContact CD1-CZ 3.63Å
145	S	85.1	Confident	86.3	Confident	4 Å²	4	65.9 Å²	65.9	3%	0.028	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-3.2	179.4	-53.1	0	0	0	0	113.5	L141 L142 K143 P147 D148 L149 I221	L141-S145 PolarHBondContact O-N 2.89Å; L141-S145 PolarHBondContact O-OG 3.34Å; L141-S145 VanDerWaalsContact O-OG 3.11Å; L142-S145 WeakPolarHBondContact O-CB 3.49Å; L142-S145 PolarHBondContact O-N 2.69Å; K143-S145 PolarHBondContact O-N 2.98Å; S145-P147 VanDerWaalsContact C-CD 3.43Å; S145-D148 PolarHBondContact O-N 3Å; S145-L149 PolarHBondContact O-N 3.33Å; S145-I221 WeakPolarHBondContact OG-CD1 3.21Å
146	R	86.5	Confident	87	Confident	132 Å²	132	63.7 Å²	63.7	50%	0.498	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-53	-42.4	-179.4	-77.9	-179	178.2	-174.9	0.2	115	L142 K143 D148 L149	L142-R146 PolarHBondContact O-N 3.02Å; K143-R146 WeakPolarHBondContact O-CB 3.35Å; K143-R146 VanDerWaalsContact O-CG 3.3Å; K143-R146 WeakPolarHBondContact O-CG 3.48Å; K143-R146 PolarHBondContact O-N 3Å; R146-D148 PolarHBondContact O-N 3.21Å; R146-L149 HydrophobicContact CB-CD1 4.41Å; R146-L149 HydrophobicContact CG-CD1 4.38Å; R146-L149 WeakPolarHBondContact O-CB 3.23Å; R146-L149 WeakPolarHBondContact O-CD1 3.45Å; R146-L149 VanDerWaalsContact O-CG 3.24Å; R146-L149 WeakPolarHBondContact O-CG 3.25Å; R146-L149 PolarHBondContact O-N 3.14Å
147	P	89.4	Confident	87.5	Confident	79 Å²	79	65.9 Å²	65.9	51%	0.513	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-63.2	-21.6	179	-22.9	35.1	0	0	0	113.8	L144 S145	L144-P147 WeakPolarHBondContact O-CD 3.27Å; S145-P147 VanDerWaalsContact C-CD 3.43Å
148	D	88.8	Confident	88.1	Confident	3 Å²	3	68 Å²	68	2%	0.016	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-103.2	11	-175.6	-55.6	-69.2	0	0	0	112.4	S145 R146 P150 L151 L152 T217 R220 R224	S145-D148 PolarHBondContact O-N 3Å; R146-D148 PolarHBondContact O-N 3.21Å; D148-P150 VanDerWaalsContact C-CD 3.46Å; D148-L151 PolarHBondContact O-N 3.39Å; D148-L152 PolarHBondContact O-N 3.17Å; D148-L152 VanDerWaalsContact O-N 3.11Å; D148-T217 HydrophobicContact CB-CG2 4.03Å; D148-R220 WeakPolarHBondContact OD1-CD 3.46Å; D148-R220 IonicContact OD1-CZ 3.19Å; D148-R220 IonicContact OD1-NE 3.92Å; D148-R220 IonicContact OD1-NH1 3.9Å; D148-R220 PolarHBondContact OD1-NH1 3.2Å; D148-R224 IonicContact OD1-NH2 2.7Å; D148-R224 IonicContact OD2-CZ 3.79Å; D148-R224 VanDerWaalsContact OD2-CZ 3.32Å; D148-R224 IonicContact OD2-NH1 3.22Å; D148-R224 PolarHBondContact OD2-NH1 3.46Å; D148-R224 IonicContact OD2-NH2 2.78Å; D148-R224 PolarHBondContact OD2-NH2 3.15Å
149	L	87.9	Confident	88.8	Confident	89 Å²	89	65.7 Å²	65.7	47%	0.466	32%	0.322	S	S	.	.	H	α-helix	trans	-53.8	-42.9	176.7	-78.6	170.6	0	0	0	114.5	S145 R146 L151 L152 V153	S145-L149 PolarHBondContact O-N 3.33Å; R146-L149 HydrophobicContact CB-CD1 4.41Å; R146-L149 HydrophobicContact CG-CD1 4.38Å; R146-L149 WeakPolarHBondContact O-CB 3.23Å; R146-L149 WeakPolarHBondContact O-CD1 3.45Å; R146-L149 VanDerWaalsContact O-CG 3.24Å; R146-L149 WeakPolarHBondContact O-CG 3.25Å; R146-L149 PolarHBondContact O-N 3.14Å; L149-L151 PolarHBondContact O-N 3.23Å; L149-L152 PolarHBondContact O-N 2.97Å; L149-V153 WeakPolarHBondContact O-CG2 3.38Å; L149-V153 PolarHBondContact O-N 3.39Å
150	P	91.3	Very high	89.2	Confident	99 Å²	99	60.4 Å²	60.4	64%	0.643	31%	0.307	S	S	*	.	H	α-helix	trans	-58.3	-38.6	179.1	-25	34.7	0	0	0	112.6	D148 V153 A154	D148-P150 VanDerWaalsContact C-CD 3.46Å; P150-V153 PolarHBondContact O-N 2.82Å; P150-A154 PolarHBondContact O-N 3.47Å
151	L	89.6	Confident	89.5	Confident	43 Å²	43	60.5 Å²	60.5	23%	0.225	31%	0.313	C	S	.	.	H	α-helix	trans	-73.1	-37.3	179	-174.8	63.3	0	0	0	112	D148 L149 V153 A154 A155 C213 Y216 T217	D148-L151 PolarHBondContact O-N 3.39Å; L149-L151 PolarHBondContact O-N 3.23Å; L151-V153 VanDerWaalsContact C-N 3.35Å; L151-A154 PolarHBondContact O-N 2.85Å; L151-A155 WeakPolarHBondContact O-CB 3.36Å; L151-A155 PolarHBondContact O-N 3.45Å; L151-C213 HydrophobicContact CD1-CB 3.74Å; L151-C213 HydrophobicContact CG-CB 4.14Å; L151-Y216 HydrophobicContact CD2-CD1 3.42Å; L151-Y216 VanDerWaalsContact CD2-CD1 3.42Å; L151-Y216 HydrophobicContact CD2-CE1 4.2Å; L151-Y216 HydrophobicContact CD2-CG 4.33Å; L151-T217 WeakPolarHBondContact CD2-OG1 3.36Å; L151-T217 WeakPolarHBondContact CG-OG1 3.46Å
152	L	89.7	Confident	90	Very high	39 Å²	39	60.4 Å²	60.4	20%	0.204	31%	0.312	C	S	.	.	H	α-helix	trans	-64.7	-38.3	173.1	-72.8	171.8	0	0	0	112	D148 L149 A155 F156 F214 T217	D148-L152 PolarHBondContact O-N 3.17Å; D148-L152 VanDerWaalsContact O-N 3.11Å; L149-L152 PolarHBondContact O-N 2.97Å; L152-A155 PolarHBondContact O-N 3.16Å; L152-F156 WeakPolarHBondContact O-CB 3.46Å; L152-F156 PolarHBondContact O-N 2.88Å; L152-F214 HydrophobicContact CD2-CD1 4.28Å; L152-F214 HydrophobicContact CD2-CE1 3.88Å; L152-T217 HydrophobicContact CD2-CG2 4Å; L152-T217 HydrophobicContact CG-CG2 4.18Å
153	V	91.2	Very high	90.4	Very high	98 Å²	98	56 Å²	56	59%	0.594	29%	0.29	S	S	*	.	H	α-helix	trans	-65.5	-44.4	174.8	172.3	0	0	0	0	110.7	L149 P150 L151 A155 F156 F157	L149-V153 WeakPolarHBondContact O-CG2 3.38Å; L149-V153 PolarHBondContact O-N 3.39Å; P150-V153 PolarHBondContact O-N 2.82Å; L151-V153 VanDerWaalsContact C-N 3.35Å; V153-A155 VanDerWaalsContact C-N 3.34Å; V153-A155 PolarHBondContact O-N 3.05Å; V153-F156 PolarHBondContact O-N 2.85Å; V153-F157 PolarHBondContact O-N 3Å
154	A	92.8	Very high	90.5	Very high	34 Å²	34	54.9 Å²	54.9	28%	0.281	29%	0.288	S	S	.	.	H	α-helix	trans	-60.4	-43.4	173.5	0	0	0	0	0	111.7	P150 L151 F156 F157 F158	P150-A154 PolarHBondContact O-N 3.47Å; L151-A154 PolarHBondContact O-N 2.85Å; A154-F156 VanDerWaalsContact C-N 3.31Å; A154-F156 PolarHBondContact O-N 3.16Å; A154-F157 WeakPolarHBondContact O-CB 3.42Å; A154-F157 PolarHBondContact O-N 3.31Å; A154-F158 WeakPolarHBondContact O-CD2 3.09Å; A154-F158 PolarHBondContact O-N 3.4Å
155	A	92.9	Very high	90.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61	-40	176.1	0	0	0	0	0	112	L151 L152 V153 L159 C213 F214	L151-A155 WeakPolarHBondContact O-CB 3.36Å; L151-A155 PolarHBondContact O-N 3.45Å; L152-A155 PolarHBondContact O-N 3.16Å; V153-A155 VanDerWaalsContact C-N 3.34Å; V153-A155 PolarHBondContact O-N 3.05Å; A155-L159 VanDerWaalsContact O-CB 3.24Å; A155-L159 WeakPolarHBondContact O-CB 3.43Å; A155-L159 PolarHBondContact O-N 2.82Å; A155-C213 HydrophobicContact CB-CB 3.7Å; A155-F214 HydrophobicContact CB-CD2 3.94Å; A155-F214 HydrophobicContact CB-CE2 3.71Å; A155-F214 HydrophobicContact CB-CG 4.48Å; A155-F214 HydrophobicContact CB-CZ 4.08Å
156	F	91.6	Very high	91	Very high	86 Å²	86	56 Å²	56	38%	0.377	29%	0.294	S	S	.	.	H	α-helix	trans	-65.3	-42.3	175.3	179.5	-119.9	0	0	0	112.2	L152 V153 A154 L159 V160 L272 V276	L152-F156 WeakPolarHBondContact O-CB 3.46Å; L152-F156 PolarHBondContact O-N 2.88Å; V153-F156 PolarHBondContact O-N 2.85Å; A154-F156 VanDerWaalsContact C-N 3.31Å; A154-F156 PolarHBondContact O-N 3.16Å; F156-L159 HydrophobicContact CD2-CD2 4.22Å; F156-L159 HydrophobicContact CE2-CD2 4.34Å; F156-L159 WeakPolarHBondContact O-CB 3.34Å; F156-L159 PolarHBondContact O-N 3.16Å; F156-V160 HydrophobicContact CD2-CG2 4.17Å; F156-V160 HydrophobicContact CE1-CG2 4.15Å; F156-V160 HydrophobicContact CE2-CG2 3.74Å; F156-V160 HydrophobicContact CZ-CG2 3.74Å; F156-V160 WeakPolarHBondContact O-CG2 3.43Å; F156-V160 PolarHBondContact O-N 3.08Å; F156-L272 HydrophobicContact CB-CD2 4.45Å; F156-L272 HydrophobicContact CD2-CD1 4.07Å; F156-L272 HydrophobicContact CD2-CD2 3.17Å; F156-L272 HydrophobicContact CD2-CG 3.63Å; F156-L272 HydrophobicContact CE2-CD1 3.53Å; F156-L272 HydrophobicContact CE2-CD2 3.6Å; F156-L272 HydrophobicContact CE2-CG 3.56Å; F156-L272 HydrophobicContact CG-CD2 4.09Å; F156-L272 HydrophobicContact CZ-CD1 4.41Å; F156-V276 HydrophobicContact CE2-CG2 4.3Å
157	F	92.9	Very high	91.2	Very high	134 Å²	134	50 Å²	50	59%	0.588	27%	0.272	S	S	*	.	H	α-helix	trans	-58.9	-49.7	175.2	177.2	-98.2	0	0	0	111.8	V153 A154 L159 V160 L161	V153-F157 PolarHBondContact O-N 3Å; A154-F157 WeakPolarHBondContact O-CB 3.42Å; A154-F157 PolarHBondContact O-N 3.31Å; F157-L159 VanDerWaalsContact C-N 3.27Å; F157-L159 PolarHBondContact O-N 3.44Å; F157-V160 PolarHBondContact O-N 3.17Å; F157-L161 PolarHBondContact O-N 3.35Å
158	F	94.9	Very high	91.2	Very high	61 Å²	61	48 Å²	48	27%	0.268	26%	0.257	S	S	.	.	H	α-helix	trans	-64.6	-30.4	175.5	-70.4	-57.8	0	0	0	112.9	A154 A162 S206 C209 R210	A154-F158 WeakPolarHBondContact O-CD2 3.09Å; A154-F158 PolarHBondContact O-N 3.4Å; F158-A162 WeakPolarHBondContact O-CB 3.33Å; F158-A162 PolarHBondContact O-N 3.14Å; F158-S206 WeakPolarHBondContact CA-OG 3.34Å; F158-S206 PolarHBondContact O-OG 3.45Å; F158-C209 HydrophobicContact CD1-CB 4.03Å; F158-C209 HydrophobicContact CD2-CB 3.93Å; F158-C209 HydrophobicContact CE1-CB 4.19Å; F158-C209 HydrophobicContact CE2-CB 4.1Å; F158-C209 HydrophobicContact CG-CB 3.91Å; F158-C209 HydrophobicContact CZ-CB 4.23Å; F158-R210 HydrophobicContact CB-CB 3.92Å
159	L	93.5	Very high	91.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.1	-47.1	174.2	176.6	150.6	0	0	0	111.3	A155 F156 F157 A162 V163 L272 R273 V276	A155-L159 VanDerWaalsContact O-CB 3.24Å; A155-L159 WeakPolarHBondContact O-CB 3.43Å; A155-L159 PolarHBondContact O-N 2.82Å; F156-L159 HydrophobicContact CD2-CD2 4.22Å; F156-L159 HydrophobicContact CE2-CD2 4.34Å; F156-L159 WeakPolarHBondContact O-CB 3.34Å; F156-L159 PolarHBondContact O-N 3.16Å; F157-L159 VanDerWaalsContact C-N 3.27Å; F157-L159 PolarHBondContact O-N 3.44Å; L159-A162 PolarHBondContact O-N 3.41Å; L159-V163 WeakPolarHBondContact O-CB 3.41Å; L159-V163 VanDerWaalsContact O-CG2 3.27Å; L159-V163 WeakPolarHBondContact O-CG2 3.25Å; L159-V163 PolarHBondContact O-N 3.04Å; L159-L272 HydrophobicContact CD1-CB 4.38Å; L159-L272 HydrophobicContact CD1-CG 4.47Å; L159-L272 HydrophobicContact CD2-CG 4.27Å; L159-R273 HydrophobicContact CD1-CB 3.89Å; L159-R273 HydrophobicContact CG-CB 4.4Å; L159-V276 HydrophobicContact CD2-CB 4.32Å; L159-V276 HydrophobicContact CD2-CG2 4.05Å
160	V	91.8	Very high	91.5	Very high	43 Å²	43	46.6 Å²	46.6	26%	0.261	25%	0.25	S	S	.	.	H	α-helix	trans	-63.1	-45.6	177.8	174.4	0	0	0	0	110.5	F156 F157 A162 V163 L164 V276	F156-V160 HydrophobicContact CD2-CG2 4.17Å; F156-V160 HydrophobicContact CE1-CG2 4.15Å; F156-V160 HydrophobicContact CE2-CG2 3.74Å; F156-V160 HydrophobicContact CZ-CG2 3.74Å; F156-V160 WeakPolarHBondContact O-CG2 3.43Å; F156-V160 PolarHBondContact O-N 3.08Å; F157-V160 PolarHBondContact O-N 3.17Å; V160-A162 PolarHBondContact O-N 3.2Å; V160-V163 PolarHBondContact O-N 3.37Å; V160-L164 HydrophobicContact CG1-CD1 3.91Å; V160-L164 HydrophobicContact CG1-CG 4.36Å; V160-L164 WeakPolarHBondContact O-CB 3.5Å; V160-L164 WeakPolarHBondContact O-CG 3.01Å; V160-L164 PolarHBondContact O-N 3.43Å; V160-V276 HydrophobicContact CG2-CG1 4.5Å
161	L	92.2	Very high	91.5	Very high	86 Å²	86	45.2 Å²	45.2	45%	0.45	24%	0.235	S	C	.	.	H	α-helix	trans	-61.1	-43.1	177.8	-176	66.2	0	0	0	112.1	F157 L164 G165	F157-L161 PolarHBondContact O-N 3.35Å; L161-L164 PolarHBondContact O-N 3.31Å; L161-G165 PolarHBondContact O-N 3.32Å
162	A	93.4	Very high	91.5	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.008	23%	0.232	C	C	.	.	H	α-helix	trans	-62.7	-45.1	176.5	0	0	0	0	0	111.4	F158 L159 V160 G165 E166 S206 A207	F158-A162 WeakPolarHBondContact O-CB 3.33Å; F158-A162 PolarHBondContact O-N 3.14Å; L159-A162 PolarHBondContact O-N 3.41Å; V160-A162 PolarHBondContact O-N 3.2Å; A162-G165 PolarHBondContact O-N 2.78Å; A162-E166 WeakPolarHBondContact O-CB 3.25Å; A162-E166 VanDerWaalsContact O-CG 3.31Å; A162-E166 WeakPolarHBondContact O-CG 3.19Å; A162-E166 PolarHBondContact O-N 2.82Å; A162-S206 PolarHBondContact N-OG 2.84Å; A162-A207 HydrophobicContact CB-CB 4.36Å
163	V	91.4	Very high	91.5	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.024	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-42.7	180	169.8	0	0	0	0	111.6	L159 V160 E166 T167 R273 V276 K277	L159-V163 WeakPolarHBondContact O-CB 3.41Å; L159-V163 VanDerWaalsContact O-CG2 3.27Å; L159-V163 WeakPolarHBondContact O-CG2 3.25Å; L159-V163 PolarHBondContact O-N 3.04Å; V160-V163 PolarHBondContact O-N 3.37Å; V163-E166 PolarHBondContact O-N 3.4Å; V163-T167 VanDerWaalsContact O-CB 3.32Å; V163-T167 WeakPolarHBondContact O-CB 3.37Å; V163-T167 PolarHBondContact O-N 3.08Å; V163-T167 PolarHBondContact O-OG1 2.86Å; V163-R273 HydrophobicContact CG2-CG 4.29Å; V163-V276 HydrophobicContact CB-CG1 4.1Å; V163-V276 HydrophobicContact CG1-CG1 3.79Å; V163-V276 HydrophobicContact CG2-CG1 4.41Å; V163-K277 HydrophobicContact CB-CG 4.28Å; V163-K277 HydrophobicContact CG1-CB 4.39Å; V163-K277 HydrophobicContact CG1-CG 3.56Å; V163-K277 HydrophobicContact CG2-CD 4.49Å; V163-K277 HydrophobicContact CG2-CG 3.72Å
164	L	89	Confident	91.4	Very high	91 Å²	91	40.5 Å²	40.5	48%	0.476	21%	0.207	S	C	.	.	H	α-helix	trans	-60.5	-46.7	176	-73	170.9	0	0	0	111.1	V160 L161 T167 L168	V160-L164 HydrophobicContact CG1-CD1 3.91Å; V160-L164 HydrophobicContact CG1-CG 4.36Å; V160-L164 WeakPolarHBondContact O-CB 3.5Å; V160-L164 WeakPolarHBondContact O-CG 3.01Å; V160-L164 PolarHBondContact O-N 3.43Å; L161-L164 PolarHBondContact O-N 3.31Å; L164-T167 PolarHBondContact O-N 2.8Å; L164-L168 WeakPolarHBondContact O-CG 3.49Å; L164-L168 PolarHBondContact O-N 3.44Å; L164-L168 VanDerWaalsContact O-N 3.12Å
165	G	90.1	Very high	91.3	Very high	6 Å²	6	45.3 Å²	45.3	6%	0.062	22%	0.218	C	C	.	.	H	α-helix	trans	-61.5	-47.5	176.4	0	0	0	0	0	112.9	L161 A162 T167 L168 I169	L161-G165 PolarHBondContact O-N 3.32Å; A162-G165 PolarHBondContact O-N 2.78Å; G165-T167 VanDerWaalsContact C-N 3.26Å; G165-T167 PolarHBondContact O-N 3.37Å; G165-L168 PolarHBondContact O-N 2.91Å; G165-I169 PolarHBondContact O-N 3.28Å
166	E	90	Very high	91.2	Very high	47 Å²	47	46.3 Å²	46.3	22%	0.22	22%	0.224	C	C	.	.	H	α-helix	trans	-60.6	-35.2	177.1	-73.9	174	-178.7	0	0	112	A162 V163 P170 R273 K277	A162-E166 WeakPolarHBondContact O-CB 3.25Å; A162-E166 VanDerWaalsContact O-CG 3.31Å; A162-E166 WeakPolarHBondContact O-CG 3.19Å; A162-E166 PolarHBondContact O-N 2.82Å; V163-E166 PolarHBondContact O-N 3.4Å; E166-P170 WeakPolarHBondContact O-CD 3.39Å; E166-R273 IonicContact OE1-NH2 3.78Å; E166-R273 PolarHBondContact OE1-NH2 3.49Å; E166-R273 VanDerWaalsContact OE1-NH2 3.16Å; E166-R273 IonicContact OE2-NH2 3.72Å; E166-R273 PolarHBondContact OE2-NH2 2.9Å; E166-K277 WeakPolarHBondContact OE2-CE 3.34Å; E166-K277 IonicContact OE2-NZ 2.79Å; E166-K277 PolarHBondContact OE2-NZ 3.35Å
167	T	89.9	Confident	91.1	Very high	6 Å²	6	45.3 Å²	45.3	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-75	-26.7	-179.5	-53.6	0	0	0	0	112.4	V163 L164 G165 P170 L281 F284 Y415	V163-T167 VanDerWaalsContact O-CB 3.32Å; V163-T167 WeakPolarHBondContact O-CB 3.37Å; V163-T167 PolarHBondContact O-N 3.08Å; V163-T167 PolarHBondContact O-OG1 2.86Å; L164-T167 PolarHBondContact O-N 2.8Å; G165-T167 VanDerWaalsContact C-N 3.26Å; G165-T167 PolarHBondContact O-N 3.37Å; T167-P170 WeakPolarHBondContact O-CD 3.18Å; T167-L281 HydrophobicContact CG2-CD2 3.97Å; T167-F284 HydrophobicContact CG2-CD2 3.27Å; T167-F284 HydrophobicContact CG2-CE2 3.51Å; T167-F284 HydrophobicContact CG2-CG 4.04Å; T167-F284 HydrophobicContact CG2-CZ 4.43Å; T167-Y415 HydrophobicContact CG2-CE1 4.13Å; T167-Y415 VanDerWaalsContact O-CE1 3.29Å; T167-Y415 WeakPolarHBondContact O-CE1 3.47Å; T167-Y415 PolarHBondContact O-OH 3.02Å
168	L	90.8	Very high	90.8	Very high	39 Å²	39	41.4 Å²	41.4	20%	0.204	21%	0.207	C	C	.	.	H	α-helix	trans	-75.5	-23.4	177	-71.6	169.1	0	0	0	112.9	L164 G165 H171 Y172 F199 F284	L164-L168 WeakPolarHBondContact O-CG 3.49Å; L164-L168 PolarHBondContact O-N 3.44Å; L164-L168 VanDerWaalsContact O-N 3.12Å; G165-L168 PolarHBondContact O-N 2.91Å; L168-H171 WeakPolarHBondContact O-CB 3Å; L168-H171 PolarHBondContact O-N 2.76Å; L168-Y172 HydrophobicContact CB-CD2 4.28Å; L168-Y172 HydrophobicContact CB-CE2 4.17Å; L168-Y172 HydrophobicContact CD2-CE2 4.5Å; L168-Y172 VanDerWaalsContact O-CD2 3.27Å; L168-Y172 WeakPolarHBondContact O-CD2 3.25Å; L168-Y172 PolarHBondContact O-N 2.83Å; L168-Y172 VanDerWaalsContact O-N 3.14Å; L168-F199 HydrophobicContact CB-CD2 4.31Å; L168-F199 HydrophobicContact CB-CG 4.43Å; L168-F199 HydrophobicContact CD1-CD1 3.97Å; L168-F199 HydrophobicContact CD1-CD2 4.22Å; L168-F199 HydrophobicContact CD1-CE1 3.87Å; L168-F199 HydrophobicContact CD1-CE2 4.15Å; L168-F199 HydrophobicContact CD1-CG 4.17Å; L168-F199 HydrophobicContact CD1-CZ 3.97Å; L168-F284 HydrophobicContact CD2-CE1 4.17Å; L168-F284 HydrophobicContact CD2-CZ 3.82Å
169	I	91.4	Very high	90.5	Very high	48 Å²	48	39.6 Å²	39.6	25%	0.246	20%	0.2	C	C	.	.	H	α-helix	trans	-58.1	-50.5	-176.3	-63	167.2	0	0	0	112.2	G165 H171 Y172 S173 M196	G165-I169 PolarHBondContact O-N 3.28Å; I169-H171 VanDerWaalsContact C-N 3.3Å; I169-H171 PolarHBondContact O-N 3.06Å; I169-Y172 PolarHBondContact O-N 3Å; I169-S173 PolarHBondContact O-N 2.96Å; I169-M196 HydrophobicContact CG2-CG 4.39Å
170	P	91.3	Very high	90.2	Very high	14 Å²	14	44 Å²	44	9%	0.091	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-33.8	178.8	-23.3	35.7	0	0	0	113.4	E166 T167 S173 G174 S411 I414 Y415	E166-P170 WeakPolarHBondContact O-CD 3.39Å; T167-P170 WeakPolarHBondContact O-CD 3.18Å; P170-S173 WeakPolarHBondContact O-CB 3.27Å; P170-S173 PolarHBondContact O-N 2.66Å; P170-G174 PolarHBondContact O-N 2.88Å; P170-S411 PolarHBondContact O-OG 2.83Å; P170-S411 VanDerWaalsContact O-OG 3.04Å; P170-I414 HydrophobicContact CB-CB 4.09Å; P170-I414 HydrophobicContact CB-CD1 4.41Å; P170-I414 HydrophobicContact CB-CG2 3.8Å; P170-I414 HydrophobicContact CG-CB 4.47Å; P170-I414 HydrophobicContact CG-CG2 3.65Å; P170-Y415 HydrophobicContact CB-CD1 4.03Å; P170-Y415 HydrophobicContact CB-CE1 3.55Å; P170-Y415 HydrophobicContact CB-CE2 4.39Å; P170-Y415 HydrophobicContact CG-CD1 3.97Å; P170-Y415 HydrophobicContact CG-CE1 3.51Å
171	H	90.3	Very high	89.6	Confident	69 Å²	69	44.8 Å²	44.8	32%	0.319	24%	0.24	S	C	.	.	H	α-helix	trans	-62.4	-46.6	176.7	179.1	75.9	0	0	0	112	L168 I169 S173 G174 R175 Y415	L168-H171 WeakPolarHBondContact O-CB 3Å; L168-H171 PolarHBondContact O-N 2.76Å; I169-H171 VanDerWaalsContact C-N 3.3Å; I169-H171 PolarHBondContact O-N 3.06Å; H171-S173 VanDerWaalsContact C-N 3.35Å; H171-G174 PolarHBondContact O-N 2.74Å; H171-R175 PolarHBondContact O-N 3.04Å; H171-Y415 WeakPolarHBondContact CB-OH 2.92Å; H171-Y415 PolarHBondContact N-OH 3.45Å
172	Y	90.6	Very high	89	Confident	43 Å²	43	42.9 Å²	42.9	17%	0.169	24%	0.241	C	C	.	.	H	α-helix	trans	-68.6	-34.6	176	-75.4	-75.2	0	0	0	112.1	L168 I169 G174 R175 V176 A192 F195 F199	L168-Y172 HydrophobicContact CB-CD2 4.28Å; L168-Y172 HydrophobicContact CB-CE2 4.17Å; L168-Y172 HydrophobicContact CD2-CE2 4.5Å; L168-Y172 VanDerWaalsContact O-CD2 3.27Å; L168-Y172 WeakPolarHBondContact O-CD2 3.25Å; L168-Y172 PolarHBondContact O-N 2.83Å; L168-Y172 VanDerWaalsContact O-N 3.14Å; I169-Y172 PolarHBondContact O-N 3Å; Y172-G174 PolarHBondContact O-N 3.27Å; Y172-R175 PolarHBondContact O-N 3.34Å; Y172-V176 VanDerWaalsContact O-CG2 3.29Å; Y172-V176 WeakPolarHBondContact O-CG2 3.27Å; Y172-V176 PolarHBondContact O-N 3.33Å; Y172-A192 HydrophobicContact CD1-CB 4.5Å; Y172-F195 HydrophobicContact CD1-CB 4.26Å; Y172-F195 HydrophobicContact CE1-CB 3.83Å; Y172-F195 HydrophobicContact CE1-CD2 4.5Å; Y172-F195 HydrophobicContact CE1-CG 4.44Å; Y172-F195 HydrophobicContact CE2-CB 4.42Å; Y172-F199 HydrophobicContact CD2-CD2 4.01Å; Y172-F199 HydrophobicContact CD2-CE2 4.28Å; Y172-F199 AromaticContact CE2-CD2 3.53Å; Y172-F199 HydrophobicContact CE2-CD2 3.53Å; Y172-F199 AromaticContact CE2-CE2 3.36Å; Y172-F199 HydrophobicContact CE2-CE2 3.36Å; Y172-F199 AromaticContact CZ-CE2 3.74Å
173	S	90	Very high	88.1	Confident	39 Å²	39	50.8 Å²	50.8	27%	0.273	28%	0.283	S	S	.	.	H	α-helix	trans	-58.9	-46	172.1	-172.8	0	0	0	0	111.5	I169 P170 H171 V176 I177	I169-S173 PolarHBondContact O-N 2.96Å; P170-S173 WeakPolarHBondContact O-CB 3.27Å; P170-S173 PolarHBondContact O-N 2.66Å; H171-S173 VanDerWaalsContact C-N 3.35Å; S173-V176 PolarHBondContact O-N 3.27Å; S173-I177 WeakPolarHBondContact O-CG1 3.48Å; S173-I177 PolarHBondContact O-N 3.41Å; S173-I177 VanDerWaalsContact O-N 3.17Å
174	G	89.6	Confident	87.8	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.8	-45.8	173	0	0	0	0	0	113.2	P170 H171 Y172 V176 I177 D178 G407 S411	P170-G174 PolarHBondContact O-N 2.88Å; H171-G174 PolarHBondContact O-N 2.74Å; Y172-G174 PolarHBondContact O-N 3.27Å; G174-V176 VanDerWaalsContact C-N 3.28Å; G174-V176 PolarHBondContact O-N 2.97Å; G174-I177 WeakPolarHBondContact O-CB 3.48Å; G174-I177 PolarHBondContact O-N 3.38Å; G174-I177 VanDerWaalsContact O-N 3.09Å; G174-D178 PolarHBondContact O-N 3.34Å; G174-G407 WeakPolarHBondContact CA-O 3.49Å; G174-G407 VanDerWaalsContact O-CA 3.28Å; G174-G407 WeakPolarHBondContact O-CA 3.41Å; G174-S411 VanDerWaalsContact CA-OG 3.31Å; G174-S411 WeakPolarHBondContact CA-OG 3.32Å
175	R	88.9	Confident	87.7	Confident	135 Å²	135	55.3 Å²	55.3	51%	0.509	30%	0.302	S	S	.	.	H	α-helix	trans	-60	-38.3	177.9	-168.6	-179.1	-179.2	107.4	2.1	112.4	H171 Y172 I177 D178 I179	H171-R175 PolarHBondContact O-N 3.04Å; Y172-R175 PolarHBondContact O-N 3.34Å; R175-I177 VanDerWaalsContact C-N 3.34Å; R175-D178 PolarHBondContact O-N 2.89Å; R175-I179 HydrophobicContact CG-CD1 4.11Å; R175-I179 WeakPolarHBondContact O-CD1 3.5Å; R175-I179 VanDerWaalsContact O-CG1 3.24Å; R175-I179 WeakPolarHBondContact O-CG1 3.34Å; R175-I179 PolarHBondContact O-N 3.35Å
176	V	91.2	Very high	87.6	Confident	20 Å²	20	58.5 Å²	58.5	12%	0.121	32%	0.322	C	S	.	.	H	α-helix	trans	-62.6	-42.5	175.1	168.7	0	0	0	0	110.9	Y172 S173 G174 I179 L180 F189 A192 I193	Y172-V176 VanDerWaalsContact O-CG2 3.29Å; Y172-V176 WeakPolarHBondContact O-CG2 3.27Å; Y172-V176 PolarHBondContact O-N 3.33Å; S173-V176 PolarHBondContact O-N 3.27Å; G174-V176 VanDerWaalsContact C-N 3.28Å; G174-V176 PolarHBondContact O-N 2.97Å; V176-I179 PolarHBondContact O-N 3.21Å; V176-L180 HydrophobicContact CG1-CD1 4.03Å; V176-L180 WeakPolarHBondContact O-CG 3.2Å; V176-L180 PolarHBondContact O-N 3.43Å; V176-F189 HydrophobicContact CG1-CD2 4.16Å; V176-F189 HydrophobicContact CG1-CE2 3.7Å; V176-A192 HydrophobicContact CG2-CB 3.76Å; V176-I193 HydrophobicContact CG2-CG1 4.1Å
177	I	89.4	Confident	87.6	Confident	65 Å²	65	63.6 Å²	63.6	33%	0.333	35%	0.346	S	S	.	.	H	α-helix	trans	-64.7	-41.9	175.5	-65.3	-63.9	0	0	0	111.6	S173 G174 R175 I179 L180 G181 L410	S173-I177 WeakPolarHBondContact O-CG1 3.48Å; S173-I177 PolarHBondContact O-N 3.41Å; S173-I177 VanDerWaalsContact O-N 3.17Å; G174-I177 WeakPolarHBondContact O-CB 3.48Å; G174-I177 PolarHBondContact O-N 3.38Å; G174-I177 VanDerWaalsContact O-N 3.09Å; R175-I177 VanDerWaalsContact C-N 3.34Å; I177-I179 VanDerWaalsContact C-N 3.32Å; I177-I179 PolarHBondContact O-N 2.93Å; I177-L180 PolarHBondContact O-N 3Å; I177-G181 PolarHBondContact O-N 3.04Å; I177-L410 HydrophobicContact CG1-CD2 3.72Å
178	D	88.1	Confident	87.5	Confident	52 Å²	52	64.5 Å²	64.5	28%	0.278	35%	0.353	S	S	.	.	H	α-helix	trans	-61.7	-39.7	176.4	-76.9	-28.6	0	0	0	111.9	G174 R175 G181 G182 T405 Q406 G407	G174-D178 PolarHBondContact O-N 3.34Å; R175-D178 PolarHBondContact O-N 2.89Å; D178-G181 PolarHBondContact O-N 3.03Å; D178-G182 PolarHBondContact O-N 3.49Å; D178-T405 VanDerWaalsContact OD1-CB 3.28Å; D178-T405 WeakPolarHBondContact OD1-CB 3.43Å; D178-T405 PolarHBondContact OD1-OG1 3.31Å; D178-T405 WeakPolarHBondContact OD2-CB 3.49Å; D178-T405 PolarHBondContact OD2-OG1 3.43Å; D178-Q406 PolarHBondContact OD1-N 3.03Å; D178-G407 VanDerWaalsContact OD1-CA 3.29Å; D178-G407 WeakPolarHBondContact OD1-CA 3.47Å; D178-G407 PolarHBondContact OD1-N 3.11Å
179	I	88.7	Confident	87.5	Confident	23 Å²	23	65.2 Å²	65.2	12%	0.118	36%	0.355	C	S	.	.	H	α-helix	trans	-68.3	-37.7	176.4	-65.6	161.6	0	0	0	111.5	R175 V176 I177 A188 F189 A192	R175-I179 HydrophobicContact CG-CD1 4.11Å; R175-I179 WeakPolarHBondContact O-CD1 3.5Å; R175-I179 VanDerWaalsContact O-CG1 3.24Å; R175-I179 WeakPolarHBondContact O-CG1 3.34Å; R175-I179 PolarHBondContact O-N 3.35Å; V176-I179 PolarHBondContact O-N 3.21Å; I177-I179 VanDerWaalsContact C-N 3.32Å; I177-I179 PolarHBondContact O-N 2.93Å; I179-A188 HydrophobicContact CD1-CB 3.98Å; I179-F189 HydrophobicContact CG2-CB 4.1Å; I179-A192 HydrophobicContact CD1-CB 4.28Å
180	L	86.4	Confident	87.5	Confident	93 Å²	93	65.6 Å²	65.6	49%	0.487	37%	0.365	S	S	.	.	H	α-helix	trans	-72	-29.3	178	-73.8	171.5	0	0	0	113.1	V176 I177 F184 F189	V176-L180 HydrophobicContact CG1-CD1 4.03Å; V176-L180 WeakPolarHBondContact O-CG 3.2Å; V176-L180 PolarHBondContact O-N 3.43Å; I177-L180 PolarHBondContact O-N 3Å; L180-F184 HydrophobicContact CD2-CD2 4.2Å; L180-F184 HydrophobicContact CD2-CE2 4.03Å; L180-F189 HydrophobicContact CD1-CE2 4.07Å; L180-F189 HydrophobicContact CD2-CD2 4.18Å; L180-F189 HydrophobicContact CD2-CE2 3.75Å; L180-F189 HydrophobicContact CD2-CZ 4.47Å; L180-F189 HydrophobicContact CG-CD2 4.28Å; L180-F189 HydrophobicContact CG-CE2 3.9Å
181	G	79.6	Confident	87.5	Confident	59 Å²	59	67.3 Å²	67.3	61%	0.608	38%	0.378	S	S	*	.	H	α-helix	trans	-85.2	-13.7	179.2	0	0	0	0	0	114.9	I177 D178	I177-G181 PolarHBondContact O-N 3.04Å; D178-G181 PolarHBondContact O-N 3.03Å
182	G	78.8	Confident	87.5	Confident	47 Å²	47	64.1 Å²	64.1	49%	0.485	36%	0.363	S	S	.	.	S	Bend	trans	-109.7	-150	179.6	0	0	0	0	0	113.6	D178 F184	D178-G182 PolarHBondContact O-N 3.49Å; G182-F184 PolarHBondContact O-N 3.19Å
183	D	75.7	Confident	87.6	Confident	166 Å²	166	64.8 Å²	64.8	89%	0.888	37%	0.369	S	S	*	.	S	Bend	trans	-70	112.3	172.2	-69.4	-34.8	0	0	0	109.7	D185	D183-D185 PolarHBondContact O-N 3.01Å
184	F	83.8	Confident	87.8	Confident	119 Å²	119	69.1 Å²	69.1	52%	0.522	38%	0.383	S	S	.	.			trans	-66.8	107.4	-175.3	-177.6	-105.1	0	0	0	111.3	L180 G182 P186 F189	L180-F184 HydrophobicContact CD2-CD2 4.2Å; L180-F184 HydrophobicContact CD2-CE2 4.03Å; G182-F184 PolarHBondContact O-N 3.19Å; F184-P186 HydrophobicContact CD1-CG 4.09Å; F184-P186 HydrophobicContact CE1-CB 4.19Å; F184-P186 HydrophobicContact CE1-CG 3.76Å; F184-P186 WeakPolarHBondContact O-CD 3.4Å; F184-F189 HydrophobicContact CE2-CB 4.1Å; F184-F189 HydrophobicContact CE2-CD1 4.32Å; F184-F189 HydrophobicContact CE2-CD2 4.11Å; F184-F189 AromaticContact CE2-CG 3.94Å; F184-F189 HydrophobicContact CE2-CG 3.94Å; F184-F189 HydrophobicContact CZ-CB 4.44Å; F184-F189 HydrophobicContact CZ-CD1 4.35Å; F184-F189 HydrophobicContact CZ-CG 4.34Å
185	D	86.9	Confident	88	Confident	71 Å²	71	73.1 Å²	73.1	38%	0.38	40%	0.401	S	S	.	.			trans	-99.3	108.9	168.4	177.3	12.9	0	0	0	110.3	D183 H187 A188 F189	D183-D185 PolarHBondContact O-N 3.01Å; D185-H187 PolarHBondContact O-N 2.73Å; D185-H187 PolarHBondContact OD1-N 3.18Å; D185-A188 HydrophobicContact CB-CB 3.95Å; D185-A188 PolarHBondContact O-N 3.21Å; D185-A188 VanDerWaalsContact OD2-CB 3.25Å; D185-A188 WeakPolarHBondContact OD2-CB 3.44Å; D185-A188 PolarHBondContact OD2-N 3.26Å; D185-F189 WeakPolarHBondContact O-CB 3.15Å; D185-F189 PolarHBondContact O-N 2.99Å
186	P	88.4	Confident	88.1	Confident	73 Å²	73	69.3 Å²	69.3	47%	0.474	39%	0.389	S	S	.	.	H	α-helix	trans	-57.4	-33.2	178.5	-21.7	30.7	0	0	0	113.5	F184 A190	F184-P186 HydrophobicContact CD1-CG 4.09Å; F184-P186 HydrophobicContact CE1-CB 4.19Å; F184-P186 HydrophobicContact CE1-CG 3.76Å; F184-P186 WeakPolarHBondContact O-CD 3.4Å; P186-A190 VanDerWaalsContact O-CB 3.28Å; P186-A190 WeakPolarHBondContact O-CB 3.39Å; P186-A190 PolarHBondContact O-N 2.94Å
187	H	89.6	Confident	88.3	Confident	155 Å²	155	71.7 Å²	71.7	72%	0.718	41%	0.406	S	S	*	.	H	α-helix	trans	-74.7	-45.4	-178.3	-69.4	-71.4	0	0	0	111.4	D185 F189 A190 S191	D185-H187 PolarHBondContact O-N 2.73Å; D185-H187 PolarHBondContact OD1-N 3.18Å; H187-F189 VanDerWaalsContact C-N 3.33Å; H187-F189 PolarHBondContact O-N 3.11Å; H187-A190 PolarHBondContact O-N 2.96Å; H187-S191 WeakPolarHBondContact O-CB 3.36Å; H187-S191 PolarHBondContact O-N 2.99Å; H187-S191 PolarHBondContact O-OG 3.34Å
188	A	88	Confident	88.5	Confident	24 Å²	24	72.7 Å²	72.7	20%	0.198	41%	0.412	C	S	.	.	H	α-helix	trans	-61	-42.1	173.1	0	0	0	0	0	111.7	I179 D185 S191 A192	I179-A188 HydrophobicContact CD1-CB 3.98Å; D185-A188 HydrophobicContact CB-CB 3.95Å; D185-A188 PolarHBondContact O-N 3.21Å; D185-A188 VanDerWaalsContact OD2-CB 3.25Å; D185-A188 WeakPolarHBondContact OD2-CB 3.44Å; D185-A188 PolarHBondContact OD2-N 3.26Å; A188-S191 PolarHBondContact O-N 3.32Å; A188-S191 PolarHBondContact O-OG 3.01Å; A188-A192 WeakPolarHBondContact O-CB 3.36Å; A188-A192 PolarHBondContact O-N 2.89Å
189	F	90.4	Very high	88.8	Confident	54 Å²	54	73 Å²	73	24%	0.237	41%	0.411	C	S	.	.	H	α-helix	trans	-62.1	-50.3	177.1	-179	-100.3	0	0	0	112.3	V176 I179 L180 F184 D185 H187 S191 A192 I193	V176-F189 HydrophobicContact CG1-CD2 4.16Å; V176-F189 HydrophobicContact CG1-CE2 3.7Å; I179-F189 HydrophobicContact CG2-CB 4.1Å; L180-F189 HydrophobicContact CD1-CE2 4.07Å; L180-F189 HydrophobicContact CD2-CD2 4.18Å; L180-F189 HydrophobicContact CD2-CE2 3.75Å; L180-F189 HydrophobicContact CD2-CZ 4.47Å; L180-F189 HydrophobicContact CG-CD2 4.28Å; L180-F189 HydrophobicContact CG-CE2 3.9Å; F184-F189 HydrophobicContact CE2-CB 4.1Å; F184-F189 HydrophobicContact CE2-CD1 4.32Å; F184-F189 HydrophobicContact CE2-CD2 4.11Å; F184-F189 AromaticContact CE2-CG 3.94Å; F184-F189 HydrophobicContact CE2-CG 3.94Å; F184-F189 HydrophobicContact CZ-CB 4.44Å; F184-F189 HydrophobicContact CZ-CD1 4.35Å; F184-F189 HydrophobicContact CZ-CG 4.34Å; D185-F189 WeakPolarHBondContact O-CB 3.15Å; D185-F189 PolarHBondContact O-N 2.99Å; H187-F189 VanDerWaalsContact C-N 3.33Å; H187-F189 PolarHBondContact O-N 3.11Å; F189-S191 VanDerWaalsContact C-N 3.34Å; F189-S191 PolarHBondContact O-N 3.01Å; F189-A192 PolarHBondContact O-N 3Å; F189-I193 HydrophobicContact CD1-CD1 3.97Å; F189-I193 HydrophobicContact CD2-CD1 4.45Å; F189-I193 HydrophobicContact CE1-CD1 3.36Å; F189-I193 HydrophobicContact CE2-CD1 3.9Å; F189-I193 HydrophobicContact CG-CD1 4.49Å; F189-I193 HydrophobicContact CZ-CD1 3.33Å; F189-I193 HydrophobicContact CZ-CG1 4.47Å; F189-I193 PolarHBondContact O-N 3.46Å; F189-I193 VanDerWaalsContact O-N 3.07Å
190	A	91.6	Very high	89	Confident	56 Å²	56	74.7 Å²	74.7	46%	0.463	43%	0.425	S	S	.	.	H	α-helix	trans	-61.4	-41.3	178.5	0	0	0	0	0	112	P186 H187 F194	P186-A190 VanDerWaalsContact O-CB 3.28Å; P186-A190 WeakPolarHBondContact O-CB 3.39Å; P186-A190 PolarHBondContact O-N 2.94Å; H187-A190 PolarHBondContact O-N 2.96Å; A190-F194 VanDerWaalsContact O-CB 3.26Å; A190-F194 WeakPolarHBondContact O-CB 3.43Å; A190-F194 PolarHBondContact O-N 3.48Å
191	S	91.1	Very high	89.4	Confident	50 Å²	50	77.4 Å²	77.4	35%	0.35	43%	0.433	S	S	.	.	H	α-helix	trans	-65.5	-42.3	177.5	71.3	0	0	0	0	112.4	H187 A188 F189 F194 F195	H187-S191 WeakPolarHBondContact O-CB 3.36Å; H187-S191 PolarHBondContact O-N 2.99Å; H187-S191 PolarHBondContact O-OG 3.34Å; A188-S191 PolarHBondContact O-N 3.32Å; A188-S191 PolarHBondContact O-OG 3.01Å; F189-S191 VanDerWaalsContact C-N 3.34Å; F189-S191 PolarHBondContact O-N 3.01Å; S191-F194 PolarHBondContact O-N 3.28Å; S191-F195 WeakPolarHBondContact O-CD2 3.24Å; S191-F195 PolarHBondContact O-N 2.94Å
192	A	90.6	Very high	90.1	Very high	2 Å²	2	76.2 Å²	76.2	2%	0.017	42%	0.42	C	S	.	.	H	α-helix	trans	-63.6	-43.2	178.6	0	0	0	0	0	111.9	Y172 V176 I179 A188 F189 M196	Y172-A192 HydrophobicContact CD1-CB 4.5Å; V176-A192 HydrophobicContact CG2-CB 3.76Å; I179-A192 HydrophobicContact CD1-CB 4.28Å; A188-A192 WeakPolarHBondContact O-CB 3.36Å; A188-A192 PolarHBondContact O-N 2.89Å; F189-A192 PolarHBondContact O-N 3Å; A192-M196 WeakPolarHBondContact O-CB 3.28Å; A192-M196 PolarHBondContact O-N 2.97Å
193	I	92.8	Very high	90.9	Very high	58 Å²	58	74.3 Å²	74.3	30%	0.297	40%	0.399	S	S	.	.	H	α-helix	trans	-65.5	-44.1	174.5	-69.4	-179.5	0	0	0	111	V176 F189 F195 M196 C197	V176-I193 HydrophobicContact CG2-CG1 4.1Å; F189-I193 HydrophobicContact CD1-CD1 3.97Å; F189-I193 HydrophobicContact CD2-CD1 4.45Å; F189-I193 HydrophobicContact CE1-CD1 3.36Å; F189-I193 HydrophobicContact CE2-CD1 3.9Å; F189-I193 HydrophobicContact CG-CD1 4.49Å; F189-I193 HydrophobicContact CZ-CD1 3.33Å; F189-I193 HydrophobicContact CZ-CG1 4.47Å; F189-I193 PolarHBondContact O-N 3.46Å; F189-I193 VanDerWaalsContact O-N 3.07Å; I193-F195 PolarHBondContact O-N 3.36Å; I193-M196 WeakPolarHBondContact O-CB 3.24Å; I193-M196 PolarHBondContact O-N 3.36Å; I193-C197 WeakPolarHBondContact O-CB 3.3Å; I193-C197 PolarHBondContact O-N 3.12Å; I193-C197 PolarHBondContact O-SG 2.97Å; I193-C197 VanDerWaalsContact O-SG 3.4Å
194	F	93.9	Very high	91.8	Very high	129 Å²	129	70.2 Å²	70.2	57%	0.566	38%	0.384	S	S	*	.	H	α-helix	trans	-58.4	-48	178.3	177.3	-98.4	0	0	0	111.7	A190 S191 C197 L198	A190-F194 VanDerWaalsContact O-CB 3.26Å; A190-F194 WeakPolarHBondContact O-CB 3.43Å; A190-F194 PolarHBondContact O-N 3.48Å; S191-F194 PolarHBondContact O-N 3.28Å; F194-C197 PolarHBondContact O-N 3.01Å; F194-L198 HydrophobicContact CE1-CD2 4.34Å; F194-L198 WeakPolarHBondContact O-CB 3.28Å; F194-L198 PolarHBondContact O-N 2.79Å
195	F	92.9	Very high	92.3	Very high	85 Å²	85	69.5 Å²	69.5	37%	0.373	39%	0.385	S	S	.	.	H	α-helix	trans	-64.3	-40.5	176.1	-75.2	-60.1	0	0	0	112.1	Y172 S191 I193 C197 L198 F199	Y172-F195 HydrophobicContact CD1-CB 4.26Å; Y172-F195 HydrophobicContact CE1-CB 3.83Å; Y172-F195 HydrophobicContact CE1-CD2 4.5Å; Y172-F195 HydrophobicContact CE1-CG 4.44Å; Y172-F195 HydrophobicContact CE2-CB 4.42Å; S191-F195 WeakPolarHBondContact O-CD2 3.24Å; S191-F195 PolarHBondContact O-N 2.94Å; I193-F195 PolarHBondContact O-N 3.36Å; F195-C197 PolarHBondContact O-N 3.24Å; F195-L198 HydrophobicContact CD1-CD2 4.44Å; F195-L198 PolarHBondContact O-N 2.82Å; F195-F199 HydrophobicContact CB-CD2 4.26Å; F195-F199 HydrophobicContact CB-CE2 3.98Å; F195-F199 HydrophobicContact CD1-CE2 4.26Å; F195-F199 HydrophobicContact CG-CE2 4.48Å; F195-F199 WeakPolarHBondContact O-CD2 3.42Å; F195-F199 WeakPolarHBondContact O-CG 3.33Å; F195-F199 PolarHBondContact O-N 3.29Å
196	M	92.8	Very high	92.7	Very high	54 Å²	54	66.3 Å²	66.3	27%	0.266	37%	0.368	S	S	.	.	H	α-helix	trans	-58.7	-46.6	174.6	-171.8	-173.6	74.4	0	0	111.6	I169 A192 I193 S200	I169-M196 HydrophobicContact CG2-CG 4.39Å; A192-M196 WeakPolarHBondContact O-CB 3.28Å; A192-M196 PolarHBondContact O-N 2.97Å; I193-M196 WeakPolarHBondContact O-CB 3.24Å; I193-M196 PolarHBondContact O-N 3.36Å; M196-S200 WeakPolarHBondContact O-CB 3.36Å; M196-S200 PolarHBondContact O-N 2.86Å
197	C	94.1	Very high	92.9	Very high	70 Å²	70	63.8 Å²	63.8	47%	0.473	35%	0.353	S	S	.	.	H	α-helix	trans	-63.9	-42.4	176.2	-71.9	0	0	0	0	111.9	I193 F194 F195 S200 F201	I193-C197 WeakPolarHBondContact O-CB 3.3Å; I193-C197 PolarHBondContact O-N 3.12Å; I193-C197 PolarHBondContact O-SG 2.97Å; I193-C197 VanDerWaalsContact O-SG 3.4Å; F194-C197 PolarHBondContact O-N 3.01Å; F195-C197 PolarHBondContact O-N 3.24Å; C197-S200 PolarHBondContact O-N 3.13Å; C197-F201 WeakPolarHBondContact O-CB 3.36Å; C197-F201 PolarHBondContact O-N 2.89Å
198	L	93.9	Very high	93.1	Very high	87 Å²	87	58.7 Å²	58.7	46%	0.455	34%	0.343	S	S	.	.	H	α-helix	trans	-62.6	-47.2	178.5	-178.4	63.7	0	0	0	111.8	F194 F195 F201 G202	F194-L198 HydrophobicContact CE1-CD2 4.34Å; F194-L198 WeakPolarHBondContact O-CB 3.28Å; F194-L198 PolarHBondContact O-N 2.79Å; F195-L198 HydrophobicContact CD1-CD2 4.44Å; F195-L198 PolarHBondContact O-N 2.82Å; L198-F201 PolarHBondContact O-N 3.33Å; L198-G202 PolarHBondContact O-N 3.48Å
199	F	93.8	Very high	93.4	Very high	59 Å²	59	59.8 Å²	59.8	26%	0.259	35%	0.349	S	S	.	.	H	α-helix	trans	-68.9	-35.5	177.3	-68.2	-54.7	0	0	0	112.4	L168 Y172 F195 S203	L168-F199 HydrophobicContact CB-CD2 4.31Å; L168-F199 HydrophobicContact CB-CG 4.43Å; L168-F199 HydrophobicContact CD1-CD1 3.97Å; L168-F199 HydrophobicContact CD1-CD2 4.22Å; L168-F199 HydrophobicContact CD1-CE1 3.87Å; L168-F199 HydrophobicContact CD1-CE2 4.15Å; L168-F199 HydrophobicContact CD1-CG 4.17Å; L168-F199 HydrophobicContact CD1-CZ 3.97Å; Y172-F199 HydrophobicContact CD2-CD2 4.01Å; Y172-F199 HydrophobicContact CD2-CE2 4.28Å; Y172-F199 AromaticContact CE2-CD2 3.53Å; Y172-F199 HydrophobicContact CE2-CD2 3.53Å; Y172-F199 AromaticContact CE2-CE2 3.36Å; Y172-F199 HydrophobicContact CE2-CE2 3.36Å; Y172-F199 AromaticContact CZ-CE2 3.74Å; F195-F199 HydrophobicContact CB-CD2 4.26Å; F195-F199 HydrophobicContact CB-CE2 3.98Å; F195-F199 HydrophobicContact CD1-CE2 4.26Å; F195-F199 HydrophobicContact CG-CE2 4.48Å; F195-F199 WeakPolarHBondContact O-CD2 3.42Å; F195-F199 WeakPolarHBondContact O-CG 3.33Å; F195-F199 PolarHBondContact O-N 3.29Å; F199-S203 WeakPolarHBondContact O-CB 3.4Å; F199-S203 PolarHBondContact O-N 3.47Å; F199-S203 PolarHBondContact O-OG 3.4Å
200	S	93.9	Very high	93.5	Very high	58 Å²	58	58.7 Å²	58.7	41%	0.406	34%	0.343	S	S	.	.	H	α-helix	trans	-62.1	-47.7	172.6	-174.1	0	0	0	0	111.9	M196 C197 S203 S204	M196-S200 WeakPolarHBondContact O-CB 3.36Å; M196-S200 PolarHBondContact O-N 2.86Å; C197-S200 PolarHBondContact O-N 3.13Å; S200-S203 PolarHBondContact O-OG 2.84Å; S200-S204 WeakPolarHBondContact O-CB 3.47Å; S200-S204 PolarHBondContact O-N 3.15Å
201	F	94.8	Very high	93.5	Very high	150 Å²	150	57.3 Å²	57.3	66%	0.658	33%	0.334	S	S	*	.	H	α-helix	trans	-65.2	-46.8	176.6	-176.4	-100.9	0	0	0	112	C197 L198 S203 S204 L205	C197-F201 WeakPolarHBondContact O-CB 3.36Å; C197-F201 PolarHBondContact O-N 2.89Å; L198-F201 PolarHBondContact O-N 3.33Å; F201-S203 PolarHBondContact O-N 3.43Å; F201-S204 PolarHBondContact O-N 3.27Å; F201-L205 PolarHBondContact O-N 2.86Å
202	G	94.8	Very high	93.5	Very high	33 Å²	33	57 Å²	57	34%	0.34	34%	0.339	S	S	.	.	H	α-helix	trans	-62.6	-41.5	179.2	0	0	0	0	0	112.7	L198 S206	L198-G202 PolarHBondContact O-N 3.48Å; G202-S206 VanDerWaalsContact O-CB 3.26Å; G202-S206 WeakPolarHBondContact O-CB 3.15Å; G202-S206 PolarHBondContact O-N 2.91Å
203	S	94.1	Very high	93.6	Very high	7 Å²	7	57.9 Å²	57.9	5%	0.049	35%	0.345	C	S	.	.	H	α-helix	trans	-66.3	-40.4	175.5	62.8	0	0	0	0	112.5	F199 S200 F201 S206 A207	F199-S203 WeakPolarHBondContact O-CB 3.4Å; F199-S203 PolarHBondContact O-N 3.47Å; F199-S203 PolarHBondContact O-OG 3.4Å; S200-S203 PolarHBondContact O-OG 2.84Å; F201-S203 PolarHBondContact O-N 3.43Å; S203-S206 PolarHBondContact O-N 3.23Å; S203-A207 WeakPolarHBondContact O-CB 3.32Å; S203-A207 PolarHBondContact O-N 2.92Å
204	S	94.8	Very high	93.5	Very high	80 Å²	80	55.9 Å²	55.9	56%	0.559	33%	0.334	S	S	*	.	H	α-helix	trans	-62.5	-46.3	176.1	-173.5	0	0	0	0	111.7	S200 F201 A207 G208	S200-S204 WeakPolarHBondContact O-CB 3.47Å; S200-S204 PolarHBondContact O-N 3.15Å; F201-S204 PolarHBondContact O-N 3.27Å; S204-A207 PolarHBondContact O-N 2.83Å; S204-G208 PolarHBondContact O-N 2.87Å
205	L	95.6	Very high	93.3	Very high	104 Å²	104	54.1 Å²	54.1	55%	0.545	33%	0.334	S	S	.	.	H	α-helix	trans	-61	-48.3	175.7	-179.4	61.2	0	0	0	111.4	F201 A207 G208 C209	F201-L205 PolarHBondContact O-N 2.86Å; L205-A207 VanDerWaalsContact C-N 3.27Å; L205-A207 PolarHBondContact O-N 3.38Å; L205-G208 PolarHBondContact O-N 3.1Å; L205-G208 VanDerWaalsContact O-N 3.1Å; L205-C209 PolarHBondContact O-N 3.32Å; L205-C209 PolarHBondContact O-SG 3.1Å; L205-C209 VanDerWaalsContact O-SG 3.4Å
206	S	95.1	Very high	93.3	Very high	4 Å²	4	56.7 Å²	56.7	3%	0.028	34%	0.342	C	S	.	.	H	α-helix	trans	-62.5	-35.1	177.5	-162.5	0	0	0	0	112.1	F158 A162 G202 S203 C209 R210	F158-S206 WeakPolarHBondContact CA-OG 3.34Å; F158-S206 PolarHBondContact O-OG 3.45Å; A162-S206 PolarHBondContact N-OG 2.84Å; G202-S206 VanDerWaalsContact O-CB 3.26Å; G202-S206 WeakPolarHBondContact O-CB 3.15Å; G202-S206 PolarHBondContact O-N 2.91Å; S203-S206 PolarHBondContact O-N 3.23Å; S206-C209 PolarHBondContact O-N 2.86Å; S206-R210 PolarHBondContact O-N 3.05Å
207	A	92.2	Very high	93.1	Very high	20 Å²	20	54.1 Å²	54.1	17%	0.165	33%	0.329	C	S	.	.	H	α-helix	trans	-69.3	-32.8	174.4	0	0	0	0	0	113.1	A162 S203 S204 L205 R210 G211	A162-A207 HydrophobicContact CB-CB 4.36Å; S203-A207 WeakPolarHBondContact O-CB 3.32Å; S203-A207 PolarHBondContact O-N 2.92Å; S204-A207 PolarHBondContact O-N 2.83Å; L205-A207 VanDerWaalsContact C-N 3.27Å; L205-A207 PolarHBondContact O-N 3.38Å; A207-R210 WeakPolarHBondContact O-CG 3.45Å; A207-G211 PolarHBondContact O-N 3.25Å
208	G	93.9	Very high	92.9	Very high	49 Å²	49	53 Å²	53	51%	0.505	32%	0.318	S	S	.	.	H	α-helix	trans	-66.6	-50.9	169.9	0	0	0	0	0	111.8	S204 L205 R210 G211 G212	S204-G208 PolarHBondContact O-N 2.87Å; L205-G208 PolarHBondContact O-N 3.1Å; L205-G208 VanDerWaalsContact O-N 3.1Å; G208-R210 PolarHBondContact O-N 2.86Å; G208-G211 PolarHBondContact O-N 2.78Å; G208-G211 VanDerWaalsContact O-N 3.12Å; G208-G212 PolarHBondContact O-N 3.47Å
209	C	94.6	Very high	92.8	Very high	47 Å²	47	52 Å²	52	32%	0.318	32%	0.318	S	S	.	.	H	α-helix	trans	-59.2	-46.6	179.5	-66.8	0	0	0	0	112.3	F158 L205 S206 G211 G212 C213	F158-C209 HydrophobicContact CD1-CB 4.03Å; F158-C209 HydrophobicContact CD2-CB 3.93Å; F158-C209 HydrophobicContact CE1-CB 4.19Å; F158-C209 HydrophobicContact CE2-CB 4.1Å; F158-C209 HydrophobicContact CG-CB 3.91Å; F158-C209 HydrophobicContact CZ-CB 4.23Å; L205-C209 PolarHBondContact O-N 3.32Å; L205-C209 PolarHBondContact O-SG 3.1Å; L205-C209 VanDerWaalsContact O-SG 3.4Å; S206-C209 PolarHBondContact O-N 2.86Å; C209-G211 VanDerWaalsContact C-N 3.28Å; C209-G211 PolarHBondContact O-N 2.9Å; C209-G212 PolarHBondContact O-N 3.23Å; C209-C213 PolarHBondContact O-N 2.86Å; C209-C213 PolarHBondContact O-SG 3.04Å
210	R	92.3	Very high	92.6	Very high	31 Å²	31	54.5 Å²	54.5	12%	0.117	33%	0.326	C	S	.	.	H	α-helix	trans	-58.9	-41.6	175.3	75.2	-176.6	175.5	83.1	10.3	111.5	F158 S206 A207 G208 C213 F214 N269	F158-R210 HydrophobicContact CB-CB 3.92Å; S206-R210 PolarHBondContact O-N 3.05Å; A207-R210 WeakPolarHBondContact O-CG 3.45Å; G208-R210 PolarHBondContact O-N 2.86Å; R210-C213 PolarHBondContact O-N 3.45Å; R210-F214 VanDerWaalsContact O-CD2 3.32Å; R210-F214 WeakPolarHBondContact O-CD2 3.28Å; R210-F214 PolarHBondContact O-N 3.49Å; R210-N269 PolarHBondContact NH1-OD1 3.38Å
211	G	91	Very high	92.4	Very high	27 Å²	27	52 Å²	52	28%	0.278	31%	0.308	S	S	.	.	H	α-helix	trans	-61.8	-48.9	-180	0	0	0	0	0	110.9	A207 G208 C209 C213 F214 T215	A207-G211 PolarHBondContact O-N 3.25Å; G208-G211 PolarHBondContact O-N 2.78Å; G208-G211 VanDerWaalsContact O-N 3.12Å; C209-G211 VanDerWaalsContact C-N 3.28Å; C209-G211 PolarHBondContact O-N 2.9Å; G211-C213 PolarHBondContact O-N 3.34Å; G211-F214 PolarHBondContact O-N 3.39Å; G211-T215 WeakPolarHBondContact O-CB 3.4Å; G211-T215 PolarHBondContact O-N 3.01Å; G211-T215 PolarHBondContact O-OG1 3.43Å; G211-T215 VanDerWaalsContact O-OG1 3.1Å
212	G	92	Very high	92.2	Very high	43 Å²	43	45.8 Å²	45.8	44%	0.443	28%	0.281	S	S	.	.	H	α-helix	trans	-57.7	-46.6	175.1	0	0	0	0	0	113.1	G208 C209 F214 T215 Y216	G208-G212 PolarHBondContact O-N 3.47Å; C209-G212 PolarHBondContact O-N 3.23Å; G212-F214 PolarHBondContact O-N 3.16Å; G212-T215 PolarHBondContact O-N 2.91Å; G212-Y216 VanDerWaalsContact O-CB 3.32Å; G212-Y216 WeakPolarHBondContact O-CB 3.28Å; G212-Y216 PolarHBondContact O-N 3.49Å
213	C	91.8	Very high	92	Very high	20 Å²	20	49.3 Å²	49.3	14%	0.135	29%	0.292	C	S	.	.	H	α-helix	trans	-61	-45.2	178.1	-66	0	0	0	0	112.6	L151 A155 C209 R210 G211 T217	L151-C213 HydrophobicContact CD1-CB 3.74Å; L151-C213 HydrophobicContact CG-CB 4.14Å; A155-C213 HydrophobicContact CB-CB 3.7Å; C209-C213 PolarHBondContact O-N 2.86Å; C209-C213 PolarHBondContact O-SG 3.04Å; R210-C213 PolarHBondContact O-N 3.45Å; G211-C213 PolarHBondContact O-N 3.34Å; C213-T217 WeakPolarHBondContact O-CB 3.38Å; C213-T217 PolarHBondContact O-N 3.18Å; C213-T217 PolarHBondContact O-OG1 3.02Å
214	F	90.6	Very high	91.9	Very high	16 Å²	16	51.1 Å²	51.1	7%	0.07	30%	0.298	C	S	.	.	H	α-helix	trans	-66.4	-43.4	177.6	-86.2	-68	0	0	0	112.2	L152 A155 R210 G211 G212 Y216 T217 M218 P265 N269	L152-F214 HydrophobicContact CD2-CD1 4.28Å; L152-F214 HydrophobicContact CD2-CE1 3.88Å; A155-F214 HydrophobicContact CB-CD2 3.94Å; A155-F214 HydrophobicContact CB-CE2 3.71Å; A155-F214 HydrophobicContact CB-CG 4.48Å; A155-F214 HydrophobicContact CB-CZ 4.08Å; R210-F214 VanDerWaalsContact O-CD2 3.32Å; R210-F214 WeakPolarHBondContact O-CD2 3.28Å; R210-F214 PolarHBondContact O-N 3.49Å; G211-F214 PolarHBondContact O-N 3.39Å; G212-F214 PolarHBondContact O-N 3.16Å; F214-Y216 PolarHBondContact O-N 3.16Å; F214-T217 PolarHBondContact O-N 2.9Å; F214-M218 WeakPolarHBondContact O-CB 3.32Å; F214-M218 PolarHBondContact O-N 3.46Å; F214-P265 HydrophobicContact CD1-CB 4.22Å; F214-N269 HydrophobicContact CD1-CB 4.05Å; F214-N269 HydrophobicContact CD2-CB 3.93Å; F214-N269 HydrophobicContact CE1-CB 3.88Å; F214-N269 HydrophobicContact CE2-CB 3.76Å; F214-N269 WeakPolarHBondContact CE2-OD1 3.4Å; F214-N269 HydrophobicContact CG-CB 4.09Å; F214-N269 HydrophobicContact CZ-CB 3.74Å
215	T	91	Very high	91.7	Very high	93 Å²	93	47.3 Å²	47.3	57%	0.571	27%	0.271	S	S	*	.	H	α-helix	trans	-63.6	-41.2	177.7	-63	0	0	0	0	111.8	G211 G212 M218 S219	G211-T215 WeakPolarHBondContact O-CB 3.4Å; G211-T215 PolarHBondContact O-N 3.01Å; G211-T215 PolarHBondContact O-OG1 3.43Å; G211-T215 VanDerWaalsContact O-OG1 3.1Å; G212-T215 PolarHBondContact O-N 2.91Å; T215-M218 PolarHBondContact O-N 2.94Å; T215-S219 PolarHBondContact O-N 3.07Å
216	Y	91.4	Very high	91.6	Very high	138 Å²	138	46.5 Å²	46.5	54%	0.541	26%	0.261	S	S	.	.	H	α-helix	trans	-65.8	-43.5	176.1	-173.8	-95.1	0	0	0	111.8	L151 G212 F214 M218 S219 R220	L151-Y216 HydrophobicContact CD2-CD1 3.42Å; L151-Y216 VanDerWaalsContact CD2-CD1 3.42Å; L151-Y216 HydrophobicContact CD2-CE1 4.2Å; L151-Y216 HydrophobicContact CD2-CG 4.33Å; G212-Y216 VanDerWaalsContact O-CB 3.32Å; G212-Y216 WeakPolarHBondContact O-CB 3.28Å; G212-Y216 PolarHBondContact O-N 3.49Å; F214-Y216 PolarHBondContact O-N 3.16Å; Y216-M218 VanDerWaalsContact C-N 3.31Å; Y216-M218 PolarHBondContact O-N 2.87Å; Y216-S219 PolarHBondContact O-N 2.95Å; Y216-R220 HydrophobicContact CD1-CG 4.29Å; Y216-R220 VanDerWaalsContact CE1-CD 3.49Å; Y216-R220 HydrophobicContact CE1-CG 4.01Å; Y216-R220 PolarHBondContact O-N 3.45Å
217	T	90.2	Very high	91.5	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-57.9	-45.6	174.6	-54.7	0	0	0	0	111.1	D148 L151 L152 C213 F214 S219 R220 I221	D148-T217 HydrophobicContact CB-CG2 4.03Å; L151-T217 WeakPolarHBondContact CD2-OG1 3.36Å; L151-T217 WeakPolarHBondContact CG-OG1 3.46Å; L152-T217 HydrophobicContact CD2-CG2 4Å; L152-T217 HydrophobicContact CG-CG2 4.18Å; C213-T217 WeakPolarHBondContact O-CB 3.38Å; C213-T217 PolarHBondContact O-N 3.18Å; C213-T217 PolarHBondContact O-OG1 3.02Å; F214-T217 PolarHBondContact O-N 2.9Å; T217-S219 PolarHBondContact O-N 3.4Å; T217-R220 PolarHBondContact O-N 3.05Å; T217-I221 HydrophobicContact CG2-CD1 3.78Å; T217-I221 HydrophobicContact CG2-CG1 4.43Å; T217-I221 WeakPolarHBondContact O-CG1 3.47Å; T217-I221 PolarHBondContact O-N 3.49Å
218	M	89.6	Confident	91.5	Very high	48 Å²	48	55.8 Å²	55.8	24%	0.236	30%	0.3	C	S	.	.	H	α-helix	trans	-59.1	-44	178	176.7	170.5	128.9	0	0	112	F214 T215 Y216 I221 N222 N262 P265	F214-M218 WeakPolarHBondContact O-CB 3.32Å; F214-M218 PolarHBondContact O-N 3.46Å; T215-M218 PolarHBondContact O-N 2.94Å; Y216-M218 VanDerWaalsContact C-N 3.31Å; Y216-M218 PolarHBondContact O-N 2.87Å; M218-I221 PolarHBondContact O-N 2.89Å; M218-N222 WeakPolarHBondContact O-CB 3.28Å; M218-N222 PolarHBondContact O-N 2.92Å; M218-N262 HydrophobicContact CE-CB 3.98Å; M218-N262 VanDerWaalsContact CE-ND2 3.29Å; M218-N262 WeakPolarHBondContact CE-ND2 3.43Å; M218-N262 WeakPolarHBondContact CE-OD1 3.43Å; M218-N262 HydrophobicContact CG-CB 4.44Å; M218-N262 VanDerWaalsContact CG-OD1 3.23Å; M218-N262 WeakPolarHBondContact CG-OD1 3.28Å; M218-N262 HydrophobicContact SD-CB 3.76Å; M218-N262 PolarHBondContact SD-OD1 3.31Å; M218-P265 HydrophobicContact CB-CB 4.41Å; M218-P265 HydrophobicContact CB-CG 4.28Å
219	S	90.5	Very high	91.4	Very high	65 Å²	65	53.5 Å²	53.5	46%	0.455	28%	0.276	S	S	.	.	H	α-helix	trans	-63.5	-44.2	176.9	-177.1	0	0	0	0	112.5	T215 Y216 T217 I221 N222 L223	T215-S219 PolarHBondContact O-N 3.07Å; Y216-S219 PolarHBondContact O-N 2.95Å; T217-S219 PolarHBondContact O-N 3.4Å; S219-I221 PolarHBondContact O-N 3.02Å; S219-N222 WeakPolarHBondContact O-CB 3.37Å; S219-N222 PolarHBondContact O-N 3.48Å; S219-L223 WeakPolarHBondContact O-CG 3.22Å; S219-L223 PolarHBondContact O-N 3.32Å
220	R	90.7	Very high	91.4	Very high	111 Å²	111	56.5 Å²	56.5	42%	0.419	28%	0.284	S	S	.	.	H	α-helix	trans	-63.7	-41.6	177.6	-68.6	-164.6	81.6	-168.2	17.7	112.7	D148 Y216 T217 N222 R224	D148-R220 WeakPolarHBondContact OD1-CD 3.46Å; D148-R220 IonicContact OD1-CZ 3.19Å; D148-R220 IonicContact OD1-NE 3.92Å; D148-R220 IonicContact OD1-NH1 3.9Å; D148-R220 PolarHBondContact OD1-NH1 3.2Å; Y216-R220 HydrophobicContact CD1-CG 4.29Å; Y216-R220 VanDerWaalsContact CE1-CD 3.49Å; Y216-R220 HydrophobicContact CE1-CG 4.01Å; Y216-R220 PolarHBondContact O-N 3.45Å; T217-R220 PolarHBondContact O-N 3.05Å; R220-N222 VanDerWaalsContact C-N 3.35Å; R220-R224 WeakPolarHBondContact O-CB 3.34Å; R220-R224 PolarHBondContact O-N 3.45Å; R220-R224 VanDerWaalsContact O-N 3.09Å
221	I	89.8	Confident	91.4	Very high	5 Å²	5	57.5 Å²	57.5	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-63.6	-43.5	176.4	-68.7	170.2	0	0	0	110.1	S145 T217 M218 S219 L223 R224 I225 P265	S145-I221 WeakPolarHBondContact OG-CD1 3.21Å; T217-I221 HydrophobicContact CG2-CD1 3.78Å; T217-I221 HydrophobicContact CG2-CG1 4.43Å; T217-I221 WeakPolarHBondContact O-CG1 3.47Å; T217-I221 PolarHBondContact O-N 3.49Å; M218-I221 PolarHBondContact O-N 2.89Å; S219-I221 PolarHBondContact O-N 3.02Å; I221-L223 PolarHBondContact O-N 3.5Å; I221-R224 PolarHBondContact O-N 3.03Å; I221-I225 HydrophobicContact CG2-CD1 3.57Å; I221-I225 HydrophobicContact CG2-CG1 4.26Å; I221-I225 VanDerWaalsContact O-CG1 3.32Å; I221-I225 WeakPolarHBondContact O-CG1 3.42Å; I221-I225 PolarHBondContact O-N 2.91Å; I221-P265 HydrophobicContact CD1-CG 4.11Å
222	N	90.4	Very high	91.5	Very high	20 Å²	20	57.1 Å²	57.1	11%	0.107	29%	0.289	C	S	.	.	H	α-helix	trans	-57.5	-51.2	177.6	-174.6	-95.5	0	0	0	111.9	M218 S219 R220 R224 I225 R226 T258 S261	M218-N222 WeakPolarHBondContact O-CB 3.28Å; M218-N222 PolarHBondContact O-N 2.92Å; S219-N222 WeakPolarHBondContact O-CB 3.37Å; S219-N222 PolarHBondContact O-N 3.48Å; R220-N222 VanDerWaalsContact C-N 3.35Å; N222-R224 PolarHBondContact O-N 2.99Å; N222-I225 PolarHBondContact O-N 2.74Å; N222-R226 WeakPolarHBondContact O-CB 3.03Å; N222-R226 VanDerWaalsContact O-CG 3.28Å; N222-R226 WeakPolarHBondContact O-CG 3.4Å; N222-R226 PolarHBondContact O-N 2.82Å; N222-R226 VanDerWaalsContact OD1-CD 3.25Å; N222-R226 WeakPolarHBondContact OD1-CD 3.2Å; N222-T258 VanDerWaalsContact ND2-CA 3.34Å; N222-T258 WeakPolarHBondContact ND2-CA 3.49Å; N222-T258 PolarHBondContact ND2-OG1 3.27Å; N222-S261 WeakPolarHBondContact CB-OG 3.42Å; N222-S261 PolarHBondContact ND2-OG 3.04Å
223	L	91.1	Very high	91.5	Very high	107 Å²	107	55.7 Å²	55.7	56%	0.56	27%	0.271	S	S	*	.	H	α-helix	trans	-59.9	-45.2	179.3	-69.2	175	0	0	0	111.9	S219 I221 I225 R226 E227	S219-L223 WeakPolarHBondContact O-CG 3.22Å; S219-L223 PolarHBondContact O-N 3.32Å; I221-L223 PolarHBondContact O-N 3.5Å; L223-I225 PolarHBondContact O-N 3.19Å; L223-R226 PolarHBondContact O-N 3.23Å; L223-E227 WeakPolarHBondContact O-CB 3.42Å; L223-E227 PolarHBondContact O-N 3.02Å
224	R	91.3	Very high	91.4	Very high	45 Å²	45	60.2 Å²	60.2	17%	0.17	29%	0.293	C	S	.	.	H	α-helix	trans	-61.8	-44.3	179	-172.1	-177.4	-62.3	139.2	10.8	112.3	L144 D148 R220 I221 N222 Q228	L144-R224 PolarHBondContact O-NH1 2.83Å; D148-R224 IonicContact OD1-NH2 2.7Å; D148-R224 IonicContact OD2-CZ 3.79Å; D148-R224 VanDerWaalsContact OD2-CZ 3.32Å; D148-R224 IonicContact OD2-NH1 3.22Å; D148-R224 PolarHBondContact OD2-NH1 3.46Å; D148-R224 IonicContact OD2-NH2 2.78Å; D148-R224 PolarHBondContact OD2-NH2 3.15Å; R220-R224 WeakPolarHBondContact O-CB 3.34Å; R220-R224 PolarHBondContact O-N 3.45Å; R220-R224 VanDerWaalsContact O-N 3.09Å; I221-R224 PolarHBondContact O-N 3.03Å; N222-R224 PolarHBondContact O-N 2.99Å; R224-Q228 WeakPolarHBondContact O-CB 3.24Å; R224-Q228 VanDerWaalsContact O-CG 3.31Å; R224-Q228 WeakPolarHBondContact O-CG 3.44Å; R224-Q228 PolarHBondContact O-N 3.4Å
225	I	91.3	Very high	91.3	Very high	1 Å²	1	68 Å²	68	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-65.7	-42.7	178.4	-68.5	170.9	0	0	0	110.2	L141 I221 N222 L223 Q228 L229 T257 M260 V443 M447	L141-I225 HydrophobicContact CD1-CD1 4.42Å; I221-I225 HydrophobicContact CG2-CD1 3.57Å; I221-I225 HydrophobicContact CG2-CG1 4.26Å; I221-I225 VanDerWaalsContact O-CG1 3.32Å; I221-I225 WeakPolarHBondContact O-CG1 3.42Å; I221-I225 PolarHBondContact O-N 2.91Å; N222-I225 PolarHBondContact O-N 2.74Å; L223-I225 PolarHBondContact O-N 3.19Å; I225-Q228 PolarHBondContact O-N 2.86Å; I225-L229 WeakPolarHBondContact O-CB 3.48Å; I225-L229 PolarHBondContact O-N 3.27Å; I225-T257 HydrophobicContact CG2-CG2 3.82Å; I225-M260 HydrophobicContact CD1-CE 4.02Å; I225-M260 HydrophobicContact CD1-CG 4.24Å; I225-M260 HydrophobicContact CD1-SD 4.13Å; I225-M260 HydrophobicContact CG2-SD 4.2Å; I225-V443 HydrophobicContact CG2-CG1 3.98Å; I225-M447 HydrophobicContact CG2-CE 4.38Å
226	R	92.2	Very high	91.3	Very high	87 Å²	87	64.1 Å²	64.1	33%	0.328	30%	0.298	S	S	.	.	H	α-helix	trans	-64.2	-42.2	178.8	-69.9	179.4	87.8	-174.3	3.6	111.9	N222 L223 F230 L253 T257	N222-R226 WeakPolarHBondContact O-CB 3.03Å; N222-R226 VanDerWaalsContact O-CG 3.28Å; N222-R226 WeakPolarHBondContact O-CG 3.4Å; N222-R226 PolarHBondContact O-N 2.82Å; N222-R226 VanDerWaalsContact OD1-CD 3.25Å; N222-R226 WeakPolarHBondContact OD1-CD 3.2Å; L223-R226 PolarHBondContact O-N 3.23Å; R226-F230 WeakPolarHBondContact O-CB 3.36Å; R226-F230 PolarHBondContact O-N 3.09Å; R226-L253 HydrophobicContact CB-CD1 4.28Å; R226-L253 PolarHBondContact NE-O 2.98Å; R226-T257 HydrophobicContact CG-CG2 4.05Å
227	E	92.9	Very high	91.3	Very high	141 Å²	141	58.3 Å²	58.3	66%	0.659	28%	0.276	S	S	*	.	H	α-helix	trans	-61.2	-50.3	175	-175.1	-170.1	170.5	0	0	111.6	L223 L229 F230 S231	L223-E227 WeakPolarHBondContact O-CB 3.42Å; L223-E227 PolarHBondContact O-N 3.02Å; E227-L229 PolarHBondContact O-N 3.09Å; E227-F230 PolarHBondContact O-N 2.82Å; E227-S231 VanDerWaalsContact O-CB 3.28Å; E227-S231 WeakPolarHBondContact O-CB 3.5Å; E227-S231 PolarHBondContact O-N 2.88Å
228	Q	92	Very high	91.2	Very high	78 Å²	78	61.6 Å²	61.6	36%	0.364	29%	0.293	S	S	.	.	H	α-helix	trans	-64.1	-42	179.6	-73.1	179.2	-7.4	0	0	112.4	R224 I225 S232 M447	R224-Q228 WeakPolarHBondContact O-CB 3.24Å; R224-Q228 VanDerWaalsContact O-CG 3.31Å; R224-Q228 WeakPolarHBondContact O-CG 3.44Å; R224-Q228 PolarHBondContact O-N 3.4Å; I225-Q228 PolarHBondContact O-N 2.86Å; Q228-S232 WeakPolarHBondContact O-CB 3.42Å; Q228-S232 PolarHBondContact O-N 3.11Å; Q228-M447 HydrophobicContact CB-CE 3.85Å; Q228-M447 HydrophobicContact CB-SD 4.31Å
229	L	93.1	Very high	91	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.4	-48.1	176.9	179	61.6	0	0	0	110.5	I225 E227 S231 S232 L233 L253 T257 V443 M447	I225-L229 WeakPolarHBondContact O-CB 3.48Å; I225-L229 PolarHBondContact O-N 3.27Å; E227-L229 PolarHBondContact O-N 3.09Å; L229-S231 VanDerWaalsContact C-N 3.34Å; L229-S231 PolarHBondContact O-N 3.17Å; L229-S232 PolarHBondContact O-N 2.79Å; L229-L233 HydrophobicContact CD1-CD1 4.29Å; L229-L233 HydrophobicContact CD1-CG 4.18Å; L229-L233 HydrophobicContact CG-CD1 4.04Å; L229-L233 HydrophobicContact CG-CG 4.36Å; L229-L233 WeakPolarHBondContact O-CB 3.33Å; L229-L233 VanDerWaalsContact O-CG 3.26Å; L229-L233 WeakPolarHBondContact O-CG 3.46Å; L229-L233 PolarHBondContact O-N 3.18Å; L229-L253 HydrophobicContact CB-CD1 4.25Å; L229-L253 HydrophobicContact CD2-CD1 3.9Å; L229-L253 HydrophobicContact CG-CD1 4.14Å; L229-T257 HydrophobicContact CD2-CG2 3.57Å; L229-V443 HydrophobicContact CD2-CG1 4.28Å; L229-M447 HydrophobicContact CB-CE 4.32Å
230	F	94.1	Very high	90.8	Very high	110 Å²	110	56.7 Å²	56.7	48%	0.482	26%	0.263	S	S	.	.	H	α-helix	trans	-61.4	-43.3	178.3	-174.1	-109	0	0	0	111.8	R226 E227 S232 L233 L234 L253	R226-F230 WeakPolarHBondContact O-CB 3.36Å; R226-F230 PolarHBondContact O-N 3.09Å; E227-F230 PolarHBondContact O-N 2.82Å; F230-S232 PolarHBondContact O-N 2.86Å; F230-L233 PolarHBondContact O-N 3.03Å; F230-L234 HydrophobicContact CD1-CD1 3.98Å; F230-L234 HydrophobicContact CE1-CD1 3.48Å; F230-L234 VanDerWaalsContact CE1-CD1 3.48Å; F230-L234 HydrophobicContact CE1-CG 4.19Å; F230-L234 HydrophobicContact CE2-CG 4.47Å; F230-L234 HydrophobicContact CZ-CD1 3.81Å; F230-L234 HydrophobicContact CZ-CD2 4.27Å; F230-L234 HydrophobicContact CZ-CG 4.16Å; F230-L234 WeakPolarHBondContact O-CG 3.33Å; F230-L234 PolarHBondContact O-N 3.47Å; F230-L253 HydrophobicContact CB-CD1 4.2Å; F230-L253 HydrophobicContact CD2-CD2 4.02Å
231	S	92.8	Very high	90.7	Very high	52 Å²	52	55.2 Å²	55.2	36%	0.364	26%	0.26	S	S	.	.	H	α-helix	trans	-61.2	-42	175.3	-170.6	0	0	0	0	112.3	E227 L229 R235	E227-S231 VanDerWaalsContact O-CB 3.28Å; E227-S231 WeakPolarHBondContact O-CB 3.5Å; E227-S231 PolarHBondContact O-N 2.88Å; L229-S231 VanDerWaalsContact C-N 3.34Å; L229-S231 PolarHBondContact O-N 3.17Å; S231-R235 WeakPolarHBondContact O-CG 3.41Å
232	S	92.1	Very high	90.5	Very high	20 Å²	20	59.7 Å²	59.7	14%	0.14	28%	0.281	C	S	.	.	H	α-helix	trans	-68.1	-41.3	176.8	-171.8	0	0	0	0	112	Q228 L229 F230 L234 R235 Q236 Y446 M447	Q228-S232 WeakPolarHBondContact O-CB 3.42Å; Q228-S232 PolarHBondContact O-N 3.11Å; L229-S232 PolarHBondContact O-N 2.79Å; F230-S232 PolarHBondContact O-N 2.86Å; S232-L234 PolarHBondContact O-N 2.85Å; S232-R235 PolarHBondContact O-N 3.44Å; S232-R235 VanDerWaalsContact O-N 3.16Å; S232-Q236 WeakPolarHBondContact O-CG 3.34Å; S232-Q236 PolarHBondContact O-N 3.38Å; S232-Q236 PolarHBondContact O-NE2 3.09Å; S232-Q236 VanDerWaalsContact O-NE2 3.15Å; S232-Y446 PolarHBondContact OG-O 3.44Å; S232-M447 PolarHBondContact OG-O 3.49Å
233	L	92.3	Very high	90.2	Very high	12 Å²	12	65 Å²	65	6%	0.063	31%	0.305	C	S	.	.	H	α-helix	trans	-59.1	-45.4	176.3	-73.7	173.3	0	0	0	111.7	L229 F230 R235 Q236 F240 F241 L249 Y446	L229-L233 HydrophobicContact CD1-CD1 4.29Å; L229-L233 HydrophobicContact CD1-CG 4.18Å; L229-L233 HydrophobicContact CG-CD1 4.04Å; L229-L233 HydrophobicContact CG-CG 4.36Å; L229-L233 WeakPolarHBondContact O-CB 3.33Å; L229-L233 VanDerWaalsContact O-CG 3.26Å; L229-L233 WeakPolarHBondContact O-CG 3.46Å; L229-L233 PolarHBondContact O-N 3.18Å; F230-L233 PolarHBondContact O-N 3.03Å; L233-R235 PolarHBondContact O-N 3.02Å; L233-R235 VanDerWaalsContact O-N 3.16Å; L233-Q236 WeakPolarHBondContact O-CB 3.31Å; L233-Q236 WeakPolarHBondContact O-CG 3.45Å; L233-Q236 PolarHBondContact O-N 2.84Å; L233-F240 HydrophobicContact CD2-CE1 3.87Å; L233-F240 HydrophobicContact CD2-CZ 3.96Å; L233-F241 VanDerWaalsContact O-CZ 3.22Å; L233-F241 WeakPolarHBondContact O-CZ 3.38Å; L233-L249 HydrophobicContact CD2-CD2 3.95Å; L233-Y446 HydrophobicContact CD2-CD1 4.12Å
234	L	90.3	Very high	89.9	Confident	115 Å²	115	60.8 Å²	60.8	60%	0.602	28%	0.284	S	S	*	.	H	α-helix	trans	-64.6	-17.5	179.1	-70.9	-179.6	0	0	0	114.2	F230 S232	F230-L234 HydrophobicContact CD1-CD1 3.98Å; F230-L234 HydrophobicContact CE1-CD1 3.48Å; F230-L234 VanDerWaalsContact CE1-CD1 3.48Å; F230-L234 HydrophobicContact CE1-CG 4.19Å; F230-L234 HydrophobicContact CE2-CG 4.47Å; F230-L234 HydrophobicContact CZ-CD1 3.81Å; F230-L234 HydrophobicContact CZ-CD2 4.27Å; F230-L234 HydrophobicContact CZ-CG 4.16Å; F230-L234 WeakPolarHBondContact O-CG 3.33Å; F230-L234 PolarHBondContact O-N 3.47Å; S232-L234 PolarHBondContact O-N 2.85Å
235	R	89.1	Confident	89.6	Confident	180 Å²	180	66.4 Å²	66.4	68%	0.679	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-4.7	176.5	-66.6	176.1	-176.2	-171.2	0.8	113.2	S231 S232 L233 P451	S231-R235 WeakPolarHBondContact O-CG 3.41Å; S232-R235 PolarHBondContact O-N 3.44Å; S232-R235 VanDerWaalsContact O-N 3.16Å; L233-R235 PolarHBondContact O-N 3.02Å; L233-R235 VanDerWaalsContact O-N 3.16Å; R235-P451 VanDerWaalsContact O-CB 3.32Å; R235-P451 WeakPolarHBondContact O-CB 3.26Å; R235-P451 WeakPolarHBondContact O-CG 3.44Å
236	Q	90.9	Very high	89.3	Confident	12 Å²	12	72 Å²	72	6%	0.056	34%	0.344	C	S	.	.	S	Bend	trans	-71.7	153.8	179.6	-59.1	-56	-39.7	0	0	111.5	S232 L233 F240 F241 R449	S232-Q236 WeakPolarHBondContact O-CG 3.34Å; S232-Q236 PolarHBondContact O-N 3.38Å; S232-Q236 PolarHBondContact O-NE2 3.09Å; S232-Q236 VanDerWaalsContact O-NE2 3.15Å; L233-Q236 WeakPolarHBondContact O-CB 3.31Å; L233-Q236 WeakPolarHBondContact O-CG 3.45Å; L233-Q236 PolarHBondContact O-N 2.84Å; Q236-F240 HydrophobicContact CB-CB 4.36Å; Q236-F240 HydrophobicContact CB-CD1 3.81Å; Q236-F240 HydrophobicContact CB-CE1 4.44Å; Q236-F240 HydrophobicContact CB-CG 4.19Å; Q236-F240 HydrophobicContact CG-CD1 4.21Å; Q236-F240 HydrophobicContact CG-CE1 4.41Å; Q236-F241 HydrophobicContact CB-CE2 4.1Å; Q236-R449 PolarHBondContact NE2-O 3.38Å; Q236-R449 PolarHBondContact OE1-O 3.36Å
237	D	89.9	Confident	88.9	Confident	16 Å²	16	70.6 Å²	70.6	9%	0.086	36%	0.356	C	S	.	.			trans	-65.8	158	174.2	63.1	93	0	0	0	112.4	G239 F240 F241 R449 L453	D237-G239 VanDerWaalsContact C-N 3.26Å; D237-G239 PolarHBondContact O-N 3.16Å; D237-G239 WeakPolarHBondContact OD1-CA 3.48Å; D237-G239 PolarHBondContact OD1-N 3.27Å; D237-G239 VanDerWaalsContact OD1-N 3.09Å; D237-F240 WeakPolarHBondContact O-CB 3.43Å; D237-F240 PolarHBondContact O-N 3.48Å; D237-F240 PolarHBondContact OD1-N 3.46Å; D237-F241 WeakPolarHBondContact O-CD2 3.37Å; D237-R449 IonicContact OD1-NH2 3.6Å; D237-R449 IonicContact OD2-CZ 3.88Å; D237-R449 VanDerWaalsContact OD2-CZ 3.29Å; D237-R449 IonicContact OD2-NH1 3.05Å; D237-R449 PolarHBondContact OD2-NH1 3.32Å; D237-R449 IonicContact OD2-NH2 3.84Å; D237-R449 PolarHBondContact OD2-NH2 3.24Å; D237-L453 HydrophobicContact CB-CD1 4.18Å; D237-L453 HydrophobicContact CB-CG 4.04Å
238	L	88.3	Confident	88.5	Confident	68 Å²	68	67.3 Å²	67.3	36%	0.356	34%	0.34	S	S	.	.	H	α-helix	trans	-67.7	-24	-179.9	-67.5	178.6	0	0	0	113.7	F240 F241 Q242 L519 Y520	L238-F240 VanDerWaalsContact C-N 3.3Å; L238-F240 PolarHBondContact O-N 3.01Å; L238-F241 PolarHBondContact O-N 3.19Å; L238-Q242 PolarHBondContact O-N 3.24Å; L238-L519 HydrophobicContact CD1-CB 3.75Å; L238-L519 HydrophobicContact CD1-CD1 4.23Å; L238-L519 HydrophobicContact CD1-CD2 4.29Å; L238-L519 HydrophobicContact CD1-CG 4.3Å; L238-Y520 HydrophobicContact CB-CE1 4.07Å; L238-Y520 WeakPolarHBondContact CB-OH 3.46Å; L238-Y520 HydrophobicContact CD1-CE2 4.12Å
239	G	85.4	Confident	88.3	Confident	2 Å²	2	64.6 Å²	64.6	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-61	-41.7	177.2	0	0	0	0	0	111.5	D237 F241 Q242 E243	D237-G239 VanDerWaalsContact C-N 3.26Å; D237-G239 PolarHBondContact O-N 3.16Å; D237-G239 WeakPolarHBondContact OD1-CA 3.48Å; D237-G239 PolarHBondContact OD1-N 3.27Å; D237-G239 VanDerWaalsContact OD1-N 3.09Å; G239-F241 VanDerWaalsContact C-N 3.31Å; G239-F241 PolarHBondContact O-N 2.74Å; G239-Q242 WeakPolarHBondContact O-CB 3.11Å; G239-Q242 PolarHBondContact O-N 2.98Å; G239-E243 PolarHBondContact O-N 3.33Å; G239-E243 VanDerWaalsContact O-N 3.16Å
240	F	87.8	Confident	88.1	Confident	9 Å²	9	69.8 Å²	69.8	4%	0.039	36%	0.356	C	S	.	.	H	α-helix	trans	-53	-44	172.6	172	-102.1	0	0	0	114	L233 Q236 D237 L238 Q242 E243 T244 L249 Y446	L233-F240 HydrophobicContact CD2-CE1 3.87Å; L233-F240 HydrophobicContact CD2-CZ 3.96Å; Q236-F240 HydrophobicContact CB-CB 4.36Å; Q236-F240 HydrophobicContact CB-CD1 3.81Å; Q236-F240 HydrophobicContact CB-CE1 4.44Å; Q236-F240 HydrophobicContact CB-CG 4.19Å; Q236-F240 HydrophobicContact CG-CD1 4.21Å; Q236-F240 HydrophobicContact CG-CE1 4.41Å; D237-F240 WeakPolarHBondContact O-CB 3.43Å; D237-F240 PolarHBondContact O-N 3.48Å; D237-F240 PolarHBondContact OD1-N 3.46Å; L238-F240 VanDerWaalsContact C-N 3.3Å; L238-F240 PolarHBondContact O-N 3.01Å; F240-Q242 VanDerWaalsContact C-N 3.29Å; F240-Q242 PolarHBondContact O-N 3.05Å; F240-E243 PolarHBondContact O-N 3.3Å; F240-T244 WeakPolarHBondContact CE2-OG1 3.48Å; F240-T244 HydrophobicContact CZ-CG2 4.39Å; F240-T244 VanDerWaalsContact O-CB 3.3Å; F240-T244 WeakPolarHBondContact O-CB 3.28Å; F240-T244 PolarHBondContact O-N 3.06Å; F240-T244 PolarHBondContact O-OG1 2.97Å; F240-L249 HydrophobicContact CE1-CD2 3.95Å; F240-L249 HydrophobicContact CZ-CD2 3.83Å; F240-Y446 AromaticContact CE2-CD1 3.67Å; F240-Y446 HydrophobicContact CE2-CD1 3.67Å; F240-Y446 AromaticContact CE2-CE1 3.49Å; F240-Y446 HydrophobicContact CE2-CE1 3.49Å; F240-Y446 VanDerWaalsContact CE2-CE1 3.49Å; F240-Y446 AromaticContact CZ-CD1 3.41Å; F240-Y446 HydrophobicContact CZ-CD1 3.41Å; F240-Y446 VanDerWaalsContact CZ-CD1 3.41Å; F240-Y446 AromaticContact CZ-CE1 3.37Å; F240-Y446 HydrophobicContact CZ-CE1 3.37Å
241	F	88.6	Confident	87.7	Confident	79 Å²	79	67.3 Å²	67.3	35%	0.346	35%	0.353	S	S	.	.	H	α-helix	trans	-75.2	-17.9	-179.7	-69.5	-76.6	0	0	0	113.3	L233 Q236 D237 L238 G239 L249	L233-F241 VanDerWaalsContact O-CZ 3.22Å; L233-F241 WeakPolarHBondContact O-CZ 3.38Å; Q236-F241 HydrophobicContact CB-CE2 4.1Å; D237-F241 WeakPolarHBondContact O-CD2 3.37Å; L238-F241 PolarHBondContact O-N 3.19Å; G239-F241 VanDerWaalsContact C-N 3.31Å; G239-F241 PolarHBondContact O-N 2.74Å; F241-L249 HydrophobicContact CD1-CD1 3.69Å; F241-L249 HydrophobicContact CE1-CD1 3.69Å
242	Q	84.9	Confident	87.3	Confident	100 Å²	100	66.7 Å²	66.7	47%	0.467	34%	0.342	S	S	.	.	H	α-helix	trans	-80.1	-31.5	172.2	-68.8	176.8	-8.5	0	0	112.1	L238 G239 F240 N479 Y520	L238-Q242 PolarHBondContact O-N 3.24Å; G239-Q242 WeakPolarHBondContact O-CB 3.11Å; G239-Q242 PolarHBondContact O-N 2.98Å; F240-Q242 VanDerWaalsContact C-N 3.29Å; F240-Q242 PolarHBondContact O-N 3.05Å; Q242-N479 VanDerWaalsContact CB-ND2 3.3Å; Q242-N479 WeakPolarHBondContact CB-ND2 3.49Å; Q242-Y520 PolarHBondContact NE2-OH 3.09Å
243	E	83.9	Confident	87.2	Confident	132 Å²	132	67.3 Å²	67.3	62%	0.617	34%	0.344	S	S	*	.	H	α-helix	trans	-82	-39	176	-63.2	-176.6	163.9	0	0	111.9	G239 F240 N479	G239-E243 PolarHBondContact O-N 3.33Å; G239-E243 VanDerWaalsContact O-N 3.16Å; F240-E243 PolarHBondContact O-N 3.3Å; E243-N479 WeakPolarHBondContact CG-ND2 3.43Å; E243-N479 PolarHBondContact OE1-OD1 3.28Å
244	T	84.7	Confident	87	Confident	18 Å²	18	69.3 Å²	69.3	11%	0.11	36%	0.359	C	S	.	.	S	Bend	trans	-93.5	125.1	-173.3	-46.9	0	0	0	0	111.3	F240 E248 L249	F240-T244 WeakPolarHBondContact CE2-OG1 3.48Å; F240-T244 HydrophobicContact CZ-CG2 4.39Å; F240-T244 VanDerWaalsContact O-CB 3.3Å; F240-T244 WeakPolarHBondContact O-CB 3.28Å; F240-T244 PolarHBondContact O-N 3.06Å; F240-T244 PolarHBondContact O-OG1 2.97Å; T244-E248 HydrophobicContact CG2-CB 4.4Å; T244-E248 HydrophobicContact CG2-CG 4.38Å; T244-L249 HydrophobicContact CG2-CD2 3.66Å; T244-L249 HydrophobicContact CG2-CG 3.85Å
245	K	86.1	Confident	86.8	Confident	163 Å²	163	66.4 Å²	66.4	71%	0.709	35%	0.348	S	S	*	.			trans	-70.4	140.5	179.3	-63	178	-177.6	176.3	0	111.1	G247 E248 L249	K245-G247 PolarHBondContact O-N 3.34Å; K245-E248 HydrophobicContact CB-CB 4.49Å; K245-E248 WeakPolarHBondContact O-CB 3.5Å; K245-E248 PolarHBondContact O-N 2.96Å; K245-L249 PolarHBondContact O-N 3.43Å
246	T	84.3	Confident	86.7	Confident	119 Å²	119	58.7 Å²	58.7	73%	0.73	32%	0.32	S	S	*	.	H	α-helix	trans	-56	-37.9	177.2	-44.2	0	0	0	0	112.9	E248 L249 N250	T246-E248 VanDerWaalsContact C-N 3.3Å; T246-E248 PolarHBondContact O-N 3.44Å; T246-L249 PolarHBondContact O-N 3.42Å; T246-N250 PolarHBondContact O-N 3.25Å
247	G	82.9	Confident	86.6	Confident	56 Å²	56	58.1 Å²	58.1	58%	0.577	32%	0.318	S	S	*	.	H	α-helix	trans	-64.4	-33.1	176.7	0	0	0	0	0	113.4	K245 S251	K245-G247 PolarHBondContact O-N 3.34Å; G247-S251 WeakPolarHBondContact O-CB 3.22Å; G247-S251 PolarHBondContact O-N 3.09Å
248	E	85	Confident	86.5	Confident	72 Å²	72	59.6 Å²	59.6	34%	0.336	33%	0.327	S	S	.	.	H	α-helix	trans	-67.3	-48.8	173.6	178.6	169.3	-170.5	0	0	110.5	T244 K245 T246 N250 S251 R252 Y446	T244-E248 HydrophobicContact CG2-CB 4.4Å; T244-E248 HydrophobicContact CG2-CG 4.38Å; K245-E248 HydrophobicContact CB-CB 4.49Å; K245-E248 WeakPolarHBondContact O-CB 3.5Å; K245-E248 PolarHBondContact O-N 2.96Å; T246-E248 VanDerWaalsContact C-N 3.3Å; T246-E248 PolarHBondContact O-N 3.44Å; E248-N250 VanDerWaalsContact C-N 3.29Å; E248-N250 PolarHBondContact O-N 3.36Å; E248-S251 WeakPolarHBondContact O-CB 3.3Å; E248-S251 PolarHBondContact O-N 3.5Å; E248-S251 VanDerWaalsContact O-N 3.08Å; E248-R252 HydrophobicContact CG-CG 4.36Å; E248-R252 WeakPolarHBondContact O-CG 3.25Å; E248-R252 PolarHBondContact O-N 2.97Å; E248-R252 IonicContact OE1-CZ 3.54Å; E248-R252 IonicContact OE1-NE 2.74Å; E248-R252 IonicContact OE1-NH2 2.91Å; E248-R252 PolarHBondContact OE1-NH2 3.4Å; E248-Y446 PolarHBondContact OE1-OH 3.24Å
249	L	88.6	Confident	86.4	Confident	22 Å²	22	61 Å²	61	12%	0.115	33%	0.334	C	S	.	.	H	α-helix	trans	-57.2	-41.7	177.8	-64	176.7	0	0	0	112.5	L233 F240 F241 T244 K245 T246 R252 L253 Y446	L233-L249 HydrophobicContact CD2-CD2 3.95Å; F240-L249 HydrophobicContact CE1-CD2 3.95Å; F240-L249 HydrophobicContact CZ-CD2 3.83Å; F241-L249 HydrophobicContact CD1-CD1 3.69Å; F241-L249 HydrophobicContact CE1-CD1 3.69Å; T244-L249 HydrophobicContact CG2-CD2 3.66Å; T244-L249 HydrophobicContact CG2-CG 3.85Å; K245-L249 PolarHBondContact O-N 3.43Å; T246-L249 PolarHBondContact O-N 3.42Å; L249-R252 PolarHBondContact O-N 2.88Å; L249-L253 WeakPolarHBondContact O-CB 3.33Å; L249-L253 PolarHBondContact O-N 3.47Å; L249-Y446 HydrophobicContact CD2-CE1 4.35Å
250	N	88.3	Confident	86.4	Confident	108 Å²	108	61 Å²	61	58%	0.578	33%	0.334	S	S	*	.	H	α-helix	trans	-64.9	-42	176	-171.7	40.6	0	0	0	111.9	T246 E248 L253 S254	T246-N250 PolarHBondContact O-N 3.25Å; E248-N250 VanDerWaalsContact C-N 3.29Å; E248-N250 PolarHBondContact O-N 3.36Å; N250-L253 PolarHBondContact O-N 3.39Å; N250-S254 VanDerWaalsContact O-CB 3.29Å; N250-S254 WeakPolarHBondContact O-CB 3.3Å; N250-S254 PolarHBondContact O-N 3.04Å
251	S	85.3	Confident	86.3	Confident	59 Å²	59	60.6 Å²	60.6	41%	0.413	33%	0.332	S	S	.	.	H	α-helix	trans	-62.6	-42.5	174.9	-171.5	0	0	0	0	111.8	G247 E248 S254 S255 D256	G247-S251 WeakPolarHBondContact O-CB 3.22Å; G247-S251 PolarHBondContact O-N 3.09Å; E248-S251 WeakPolarHBondContact O-CB 3.3Å; E248-S251 PolarHBondContact O-N 3.5Å; E248-S251 VanDerWaalsContact O-N 3.08Å; S251-S254 PolarHBondContact O-N 3.41Å; S251-S255 WeakPolarHBondContact O-CA 3.41Å; S251-S255 WeakPolarHBondContact O-CB 3.32Å; S251-S255 PolarHBondContact O-N 2.69Å; S251-D256 PolarHBondContact O-N 3.01Å
252	R	85.6	Confident	86.1	Confident	39 Å²	39	58.4 Å²	58.4	15%	0.147	32%	0.324	C	S	.	.	I	π-helix	trans	-58.4	-51	174.1	-63.2	-50.9	-178.6	-156	-8.5	110.9	E248 L249 S254 D256 T257 Y446	E248-R252 HydrophobicContact CG-CG 4.36Å; E248-R252 WeakPolarHBondContact O-CG 3.25Å; E248-R252 PolarHBondContact O-N 2.97Å; E248-R252 IonicContact OE1-CZ 3.54Å; E248-R252 IonicContact OE1-NE 2.74Å; E248-R252 IonicContact OE1-NH2 2.91Å; E248-R252 PolarHBondContact OE1-NH2 3.4Å; L249-R252 PolarHBondContact O-N 2.88Å; R252-S254 VanDerWaalsContact C-N 3.29Å; R252-S254 PolarHBondContact O-N 2.89Å; R252-D256 WeakPolarHBondContact CD-OD2 3.39Å; R252-D256 IonicContact CZ-OD2 3.29Å; R252-D256 IonicContact NE-OD2 3.32Å; R252-D256 IonicContact NH1-OD2 3.71Å; R252-D256 PolarHBondContact NH1-OD2 3.47Å; R252-T257 WeakPolarHBondContact O-CG2 3.37Å; R252-T257 PolarHBondContact O-N 3.34Å; R252-Y446 HydrophobicContact CG-CD2 4.25Å; R252-Y446 HydrophobicContact CG-CE2 3.73Å
253	L	89.3	Confident	85.9	Confident	33 Å²	33	55 Å²	55	17%	0.173	31%	0.307	C	S	.	.	I	π-helix	trans	-69.6	-24.6	-175.1	-170.2	64.8	0	0	0	113.5	R226 L229 F230 L249 N250 T257	R226-L253 HydrophobicContact CB-CD1 4.28Å; R226-L253 PolarHBondContact NE-O 2.98Å; L229-L253 HydrophobicContact CB-CD1 4.25Å; L229-L253 HydrophobicContact CD2-CD1 3.9Å; L229-L253 HydrophobicContact CG-CD1 4.14Å; F230-L253 HydrophobicContact CB-CD1 4.2Å; F230-L253 HydrophobicContact CD2-CD2 4.02Å; L249-L253 WeakPolarHBondContact O-CB 3.33Å; L249-L253 PolarHBondContact O-N 3.47Å; N250-L253 PolarHBondContact O-N 3.39Å; L253-T257 VanDerWaalsContact C-OG1 3.28Å; L253-T257 PolarHBondContact O-OG1 2.9Å
254	S	87.8	Confident	85.6	Confident	53 Å²	53	49.8 Å²	49.8	37%	0.371	28%	0.283	S	S	.	.	I	π-helix	trans	-103	-63	-178.6	-170.2	0	0	0	0	112.6	N250 S251 R252 T257 T258	N250-S254 VanDerWaalsContact O-CB 3.29Å; N250-S254 WeakPolarHBondContact O-CB 3.3Å; N250-S254 PolarHBondContact O-N 3.04Å; S251-S254 PolarHBondContact O-N 3.41Å; R252-S254 VanDerWaalsContact C-N 3.29Å; R252-S254 PolarHBondContact O-N 2.89Å; S254-T257 PolarHBondContact O-OG1 3.05Å; S254-T258 VanDerWaalsContact O-CB 3.25Å; S254-T258 WeakPolarHBondContact O-CB 3.27Å; S254-T258 PolarHBondContact O-N 3.34Å; S254-T258 PolarHBondContact O-OG1 3.13Å
255	S	86.4	Confident	85.5	Confident	55 Å²	55	49.2 Å²	49.2	39%	0.385	28%	0.28	S	S	.	.	I	π-helix	trans	-75.7	-53.7	-172.8	-176.5	0	0	0	0	111.6	S251 T258 L259	S251-S255 WeakPolarHBondContact O-CA 3.41Å; S251-S255 WeakPolarHBondContact O-CB 3.32Å; S251-S255 PolarHBondContact O-N 2.69Å; S255-T258 PolarHBondContact O-N 2.9Å; S255-L259 WeakPolarHBondContact O-CG 3.49Å; S255-L259 PolarHBondContact O-N 3.43Å
256	D	87.1	Confident	85.4	Confident	18 Å²	18	45.7 Å²	45.7	10%	0.096	27%	0.269	C	S	.	.	I	π-helix	trans	-71.2	-37.4	-171.9	-67.5	-17.2	0	0	0	112.4	S251 R252 T258 L259 M260 V443	S251-D256 PolarHBondContact O-N 3.01Å; R252-D256 WeakPolarHBondContact CD-OD2 3.39Å; R252-D256 IonicContact CZ-OD2 3.29Å; R252-D256 IonicContact NE-OD2 3.32Å; R252-D256 IonicContact NH1-OD2 3.71Å; R252-D256 PolarHBondContact NH1-OD2 3.47Å; D256-T258 VanDerWaalsContact C-N 3.3Å; D256-T258 PolarHBondContact O-N 3.31Å; D256-L259 PolarHBondContact O-N 3.42Å; D256-M260 WeakPolarHBondContact O-CB 3.37Å; D256-M260 PolarHBondContact O-N 3.01Å; D256-V443 HydrophobicContact CB-CG2 3.81Å
257	T	88.6	Confident	85.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.8	-38.2	171.6	55.1	0	0	0	0	112	I225 R226 L229 R252 L253 S254 S261 V443	I225-T257 HydrophobicContact CG2-CG2 3.82Å; R226-T257 HydrophobicContact CG-CG2 4.05Å; L229-T257 HydrophobicContact CD2-CG2 3.57Å; R252-T257 WeakPolarHBondContact O-CG2 3.37Å; R252-T257 PolarHBondContact O-N 3.34Å; L253-T257 VanDerWaalsContact C-OG1 3.28Å; L253-T257 PolarHBondContact O-OG1 2.9Å; S254-T257 PolarHBondContact O-OG1 3.05Å; T257-S261 VanDerWaalsContact O-CB 3.27Å; T257-S261 WeakPolarHBondContact O-CB 3.49Å; T257-S261 PolarHBondContact O-N 3.46Å; T257-S261 PolarHBondContact O-OG 2.82Å; T257-S261 VanDerWaalsContact O-OG 3.05Å; T257-V443 HydrophobicContact CG2-CG1 4.42Å; T257-V443 HydrophobicContact CG2-CG2 4.34Å
258	T	88.6	Confident	85.5	Confident	47 Å²	47	39.8 Å²	39.8	29%	0.288	22%	0.224	S	C	.	.	H	α-helix	trans	-68.7	-45.3	176.5	-59.9	0	0	0	0	111.5	N222 S254 S255 D256 M260 S261 N262	N222-T258 VanDerWaalsContact ND2-CA 3.34Å; N222-T258 WeakPolarHBondContact ND2-CA 3.49Å; N222-T258 PolarHBondContact ND2-OG1 3.27Å; S254-T258 VanDerWaalsContact O-CB 3.25Å; S254-T258 WeakPolarHBondContact O-CB 3.27Å; S254-T258 PolarHBondContact O-N 3.34Å; S254-T258 PolarHBondContact O-OG1 3.13Å; S255-T258 PolarHBondContact O-N 2.9Å; D256-T258 VanDerWaalsContact C-N 3.3Å; D256-T258 PolarHBondContact O-N 3.31Å; T258-M260 PolarHBondContact O-N 3.35Å; T258-S261 WeakPolarHBondContact CA-OG 3.32Å; T258-S261 PolarHBondContact O-N 2.61Å; T258-S261 PolarHBondContact O-OG 3.48Å; T258-N262 WeakPolarHBondContact CG2-ND2 3.42Å; T258-N262 VanDerWaalsContact O-CB 3.23Å; T258-N262 WeakPolarHBondContact O-CB 3.41Å; T258-N262 PolarHBondContact O-N 3.12Å; T258-N262 PolarHBondContact O-ND2 3.18Å; T258-N262 PolarHBondContact O-OD1 3.18Å
259	L	86.1	Confident	85.6	Confident	96 Å²	96	37.4 Å²	37.4	50%	0.503	21%	0.214	S	C	.	.	H	α-helix	trans	-58.3	-49.7	174.2	-70.1	174	0	0	0	110.7	S255 D256 S261 N262 W263 A439	S255-L259 WeakPolarHBondContact O-CG 3.49Å; S255-L259 PolarHBondContact O-N 3.43Å; D256-L259 PolarHBondContact O-N 3.42Å; L259-S261 PolarHBondContact O-N 2.6Å; L259-N262 PolarHBondContact O-N 3.37Å; L259-W263 WeakPolarHBondContact O-CB 3.11Å; L259-W263 PolarHBondContact O-N 2.95Å; L259-A439 HydrophobicContact CB-CB 4.36Å
260	M	85.7	Confident	85.7	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.015	22%	0.223	C	C	.	.	H	α-helix	trans	-60	-45.3	178.3	177.7	-175.9	176.4	0	0	112.8	L141 I225 D256 T258 N262 A440 V443 F444	L141-M260 HydrophobicContact CD1-CE 3.35Å; L141-M260 HydrophobicContact CD1-CG 3.72Å; L141-M260 HydrophobicContact CD1-SD 4.37Å; I225-M260 HydrophobicContact CD1-CE 4.02Å; I225-M260 HydrophobicContact CD1-CG 4.24Å; I225-M260 HydrophobicContact CD1-SD 4.13Å; I225-M260 HydrophobicContact CG2-SD 4.2Å; D256-M260 WeakPolarHBondContact O-CB 3.37Å; D256-M260 PolarHBondContact O-N 3.01Å; T258-M260 PolarHBondContact O-N 3.35Å; M260-N262 VanDerWaalsContact C-N 3.32Å; M260-N262 PolarHBondContact O-N 3.06Å; M260-A440 HydrophobicContact CE-CB 4.38Å; M260-A440 HydrophobicContact CG-CB 3.94Å; M260-A440 HydrophobicContact SD-CB 4.23Å; M260-V443 HydrophobicContact CE-CG1 4.35Å; M260-V443 HydrophobicContact SD-CB 3.59Å; M260-V443 VanDerWaalsContact SD-CB 3.59Å; M260-V443 HydrophobicContact SD-CG1 3.54Å; M260-V443 VanDerWaalsContact SD-CG1 3.54Å; M260-V443 HydrophobicContact SD-CG2 4.03Å; M260-F444 HydrophobicContact CE-CD1 4.22Å; M260-F444 HydrophobicContact CE-CD2 3.97Å; M260-F444 HydrophobicContact CE-CE1 3.62Å; M260-F444 HydrophobicContact CE-CE2 3.38Å; M260-F444 HydrophobicContact CE-CG 4.38Å; M260-F444 HydrophobicContact CE-CZ 3.17Å
261	S	84.1	Confident	85.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-69.1	-31.6	-179.1	62.8	0	0	0	0	113.1	N222 T257 T258 L259 P265	N222-S261 WeakPolarHBondContact CB-OG 3.42Å; N222-S261 PolarHBondContact ND2-OG 3.04Å; T257-S261 VanDerWaalsContact O-CB 3.27Å; T257-S261 WeakPolarHBondContact O-CB 3.49Å; T257-S261 PolarHBondContact O-N 3.46Å; T257-S261 PolarHBondContact O-OG 2.82Å; T257-S261 VanDerWaalsContact O-OG 3.05Å; T258-S261 WeakPolarHBondContact CA-OG 3.32Å; T258-S261 PolarHBondContact O-N 2.61Å; T258-S261 PolarHBondContact O-OG 3.48Å; L259-S261 PolarHBondContact O-N 2.6Å; S261-P265 WeakPolarHBondContact O-CD 3.49Å; S261-P265 WeakPolarHBondContact O-CG 3.32Å
262	N	84.4	Confident	85.9	Confident	34 Å²	34	36 Å²	36	18%	0.182	20%	0.203	C	C	.	.	H	α-helix	trans	-81.9	-34.1	-178.2	-61.9	1.9	0	0	0	110.9	M218 T258 L259 M260 L264 P265 L266	M218-N262 HydrophobicContact CE-CB 3.98Å; M218-N262 VanDerWaalsContact CE-ND2 3.29Å; M218-N262 WeakPolarHBondContact CE-ND2 3.43Å; M218-N262 WeakPolarHBondContact CE-OD1 3.43Å; M218-N262 HydrophobicContact CG-CB 4.44Å; M218-N262 VanDerWaalsContact CG-OD1 3.23Å; M218-N262 WeakPolarHBondContact CG-OD1 3.28Å; M218-N262 HydrophobicContact SD-CB 3.76Å; M218-N262 PolarHBondContact SD-OD1 3.31Å; T258-N262 WeakPolarHBondContact CG2-ND2 3.42Å; T258-N262 VanDerWaalsContact O-CB 3.23Å; T258-N262 WeakPolarHBondContact O-CB 3.41Å; T258-N262 PolarHBondContact O-N 3.12Å; T258-N262 PolarHBondContact O-ND2 3.18Å; T258-N262 PolarHBondContact O-OD1 3.18Å; L259-N262 PolarHBondContact O-N 3.37Å; M260-N262 VanDerWaalsContact C-N 3.32Å; M260-N262 PolarHBondContact O-N 3.06Å; N262-L264 PolarHBondContact O-N 3.24Å; N262-P265 WeakPolarHBondContact O-CD 3.35Å; N262-L266 HydrophobicContact CB-CD1 3.86Å; N262-L266 WeakPolarHBondContact O-CB 3.42Å; N262-L266 WeakPolarHBondContact O-CD1 3.4Å; N262-L266 WeakPolarHBondContact O-CG 3.44Å; N262-L266 PolarHBondContact O-N 3.41Å
263	W	81.5	Confident	86.1	Confident	29 Å²	29	37 Å²	37	11%	0.11	21%	0.207	C	C	.	.	H	α-helix	trans	-59.6	-47.7	-171.8	-175.5	82.3	0	0	0	113.1	M138 L141 L259 N267 M433 N436 V437	M138-W263 HydrophobicContact CE-CH2 4.17Å; M138-W263 HydrophobicContact CG-CH2 3.92Å; M138-W263 HydrophobicContact CG-CZ3 4.05Å; M138-W263 HydrophobicContact SD-CH2 4.16Å; L141-W263 HydrophobicContact CD2-CE3 3.91Å; L141-W263 HydrophobicContact CD2-CZ3 4.2Å; L259-W263 WeakPolarHBondContact O-CB 3.11Å; L259-W263 PolarHBondContact O-N 2.95Å; W263-N267 PolarHBondContact NE1-ND2 3.11Å; W263-N267 VanDerWaalsContact NE1-ND2 3.16Å; W263-N267 VanDerWaalsContact O-CB 3.24Å; W263-N267 WeakPolarHBondContact O-CB 3.37Å; W263-N267 PolarHBondContact O-N 3.23Å; W263-N267 PolarHBondContact O-ND2 3.47Å; W263-M433 WeakPolarHBondContact CH2-O 3.24Å; W263-M433 HydrophobicContact CZ2-CB 4.37Å; W263-M433 HydrophobicContact CZ2-CG 4.44Å; W263-M433 WeakPolarHBondContact CZ2-O 3.12Å; W263-N436 HydrophobicContact CZ2-CB 4.33Å; W263-V437 HydrophobicContact CH2-CG2 3.91Å; W263-V437 HydrophobicContact CZ2-CG2 4.18Å
264	L	77.9	Confident	86.2	Confident	21 Å²	21	35.6 Å²	35.6	11%	0.11	20%	0.199	C	C	.	.	H	α-helix	trans	-68.6	-52.6	-177.7	178.1	69.6	0	0	0	113	L141 L142 N262 L266 A268	L141-L264 HydrophobicContact CB-CD2 4.25Å; L141-L264 HydrophobicContact CD2-CB 3.5Å; L141-L264 HydrophobicContact CD2-CD2 4.06Å; L141-L264 HydrophobicContact CD2-CG 4.24Å; L141-L264 HydrophobicContact CG-CB 4.08Å; L141-L264 HydrophobicContact CG-CD2 3.77Å; L141-L264 HydrophobicContact CG-CG 4.48Å; L142-L264 HydrophobicContact CD1-CD2 4.43Å; N262-L264 PolarHBondContact O-N 3.24Å; L264-L266 PolarHBondContact O-N 3.36Å; L264-A268 WeakPolarHBondContact O-CB 3.03Å; L264-A268 PolarHBondContact O-N 2.89Å
265	P	82	Confident	86.3	Confident	7 Å²	7	37 Å²	37	5%	0.045	20%	0.202	C	C	.	.	H	α-helix	trans	-62.8	-40.2	179.1	-23.6	35.6	0	0	0	113.3	F214 M218 I221 S261 N262 N269	F214-P265 HydrophobicContact CD1-CB 4.22Å; M218-P265 HydrophobicContact CB-CB 4.41Å; M218-P265 HydrophobicContact CB-CG 4.28Å; I221-P265 HydrophobicContact CD1-CG 4.11Å; S261-P265 WeakPolarHBondContact O-CD 3.49Å; S261-P265 WeakPolarHBondContact O-CG 3.32Å; N262-P265 WeakPolarHBondContact O-CD 3.35Å; P265-N269 WeakPolarHBondContact O-CB 3.45Å; P265-N269 PolarHBondContact O-N 3.44Å
266	L	84	Confident	86.6	Confident	89 Å²	89	36 Å²	36	47%	0.466	19%	0.194	S	C	.	.	H	α-helix	trans	-64.9	-52.6	178.1	-78.2	163.2	0	0	0	111	N262 L264 A268 N269 V270	N262-L266 HydrophobicContact CB-CD1 3.86Å; N262-L266 WeakPolarHBondContact O-CB 3.42Å; N262-L266 WeakPolarHBondContact O-CD1 3.4Å; N262-L266 WeakPolarHBondContact O-CG 3.44Å; N262-L266 PolarHBondContact O-N 3.41Å; L264-L266 PolarHBondContact O-N 3.36Å; L266-A268 VanDerWaalsContact C-N 3.33Å; L266-A268 PolarHBondContact O-N 3.04Å; L266-N269 PolarHBondContact O-N 3.34Å; L266-V270 WeakPolarHBondContact O-CG2 3.4Å; L266-V270 PolarHBondContact O-N 3.16Å
267	N	85.6	Confident	86.8	Confident	17 Å²	17	35.8 Å²	35.8	9%	0.091	19%	0.192	C	C	.	.	H	α-helix	trans	-65	-39.4	-179.2	-78.4	-65.7	0	0	0	111.5	W263 V270 L271 M433	W263-N267 PolarHBondContact NE1-ND2 3.11Å; W263-N267 VanDerWaalsContact NE1-ND2 3.16Å; W263-N267 VanDerWaalsContact O-CB 3.24Å; W263-N267 WeakPolarHBondContact O-CB 3.37Å; W263-N267 PolarHBondContact O-N 3.23Å; W263-N267 PolarHBondContact O-ND2 3.47Å; N267-V270 PolarHBondContact O-N 3.06Å; N267-L271 WeakPolarHBondContact O-CB 3.42Å; N267-L271 PolarHBondContact O-N 3.3Å; N267-M433 HydrophobicContact CB-CE 3.58Å; N267-M433 HydrophobicContact CB-CG 4.15Å
268	A	83.4	Confident	86.9	Confident	34 Å²	34	36.6 Å²	36.6	28%	0.281	20%	0.197	S	C	.	.	H	α-helix	trans	-61.5	-45.8	174.2	0	0	0	0	0	112	L264 L266 L272	L264-A268 WeakPolarHBondContact O-CB 3.03Å; L264-A268 PolarHBondContact O-N 2.89Å; L266-A268 VanDerWaalsContact C-N 3.33Å; L266-A268 PolarHBondContact O-N 3.04Å; A268-L272 WeakPolarHBondContact O-CB 3.47Å; A268-L272 PolarHBondContact O-N 3.21Å
269	N	88	Confident	87	Confident	22 Å²	22	39 Å²	39	12%	0.118	21%	0.211	C	C	.	.	H	α-helix	trans	-60.4	-49.4	177.5	174.9	38	0	0	0	111.7	R210 F214 P265 L266 R273	R210-N269 PolarHBondContact NH1-OD1 3.38Å; F214-N269 HydrophobicContact CD1-CB 4.05Å; F214-N269 HydrophobicContact CD2-CB 3.93Å; F214-N269 HydrophobicContact CE1-CB 3.88Å; F214-N269 HydrophobicContact CE2-CB 3.76Å; F214-N269 WeakPolarHBondContact CE2-OD1 3.4Å; F214-N269 HydrophobicContact CG-CB 4.09Å; F214-N269 HydrophobicContact CZ-CB 3.74Å; P265-N269 WeakPolarHBondContact O-CB 3.45Å; P265-N269 PolarHBondContact O-N 3.44Å; L266-N269 PolarHBondContact O-N 3.34Å; N269-R273 WeakPolarHBondContact O-CB 3.36Å; N269-R273 PolarHBondContact O-N 3.27Å
270	V	89.6	Confident	87.1	Confident	53 Å²	53	35.6 Å²	35.6	32%	0.321	20%	0.199	S	C	.	.	H	α-helix	trans	-72	-38.7	-177.4	-168.3	0	0	0	0	111.3	L266 N267 S274 T425 I429	L266-V270 WeakPolarHBondContact O-CG2 3.4Å; L266-V270 PolarHBondContact O-N 3.16Å; N267-V270 PolarHBondContact O-N 3.06Å; V270-S274 VanDerWaalsContact O-CB 3.22Å; V270-S274 WeakPolarHBondContact O-CB 3.27Å; V270-S274 PolarHBondContact O-N 3.31Å; V270-S274 PolarHBondContact O-OG 3.11Å; V270-T425 HydrophobicContact CG1-CG2 3.57Å; V270-I429 HydrophobicContact CB-CD1 3.57Å; V270-I429 HydrophobicContact CG1-CD1 3.26Å
271	L	88.9	Confident	87.4	Confident	54 Å²	54	35.9 Å²	35.9	28%	0.283	20%	0.201	S	C	.	.	H	α-helix	trans	-59.4	-53.5	175.2	-178	74.4	0	0	0	110.6	N267 S274 L275 L426 I429 M433	N267-L271 WeakPolarHBondContact O-CB 3.42Å; N267-L271 PolarHBondContact O-N 3.3Å; L271-S274 PolarHBondContact O-N 3.49Å; L271-L275 VanDerWaalsContact O-CB 3.29Å; L271-L275 WeakPolarHBondContact O-CB 3.45Å; L271-L275 PolarHBondContact O-N 3.35Å; L271-L426 HydrophobicContact CD1-CD1 3.5Å; L271-I429 HydrophobicContact CB-CG2 4.13Å; L271-I429 HydrophobicContact CD1-CG2 4.02Å; L271-M433 HydrophobicContact CB-CE 4.38Å; L271-M433 HydrophobicContact CD2-CE 3.83Å; L271-M433 HydrophobicContact CD2-SD 4.22Å
272	L	88.5	Confident	87.6	Confident	52 Å²	52	37.6 Å²	37.6	27%	0.272	21%	0.208	S	C	.	.	H	α-helix	trans	-67.1	-41.1	-175.7	-167	54.1	0	0	0	111.4	F156 L159 A268 L275 V276	F156-L272 HydrophobicContact CB-CD2 4.45Å; F156-L272 HydrophobicContact CD2-CD1 4.07Å; F156-L272 HydrophobicContact CD2-CD2 3.17Å; F156-L272 HydrophobicContact CD2-CG 3.63Å; F156-L272 HydrophobicContact CE2-CD1 3.53Å; F156-L272 HydrophobicContact CE2-CD2 3.6Å; F156-L272 HydrophobicContact CE2-CG 3.56Å; F156-L272 HydrophobicContact CG-CD2 4.09Å; F156-L272 HydrophobicContact CZ-CD1 4.41Å; L159-L272 HydrophobicContact CD1-CB 4.38Å; L159-L272 HydrophobicContact CD1-CG 4.47Å; L159-L272 HydrophobicContact CD2-CG 4.27Å; A268-L272 WeakPolarHBondContact O-CB 3.47Å; A268-L272 PolarHBondContact O-N 3.21Å; L272-L275 PolarHBondContact O-N 2.9Å; L272-V276 HydrophobicContact CD1-CG2 4.47Å; L272-V276 WeakPolarHBondContact O-CB 2.98Å; L272-V276 VanDerWaalsContact O-CG2 3.23Å; L272-V276 WeakPolarHBondContact O-CG2 3.29Å; L272-V276 PolarHBondContact O-N 3Å
273	R	90	Very high	87.9	Confident	61 Å²	61	37.6 Å²	37.6	23%	0.23	22%	0.216	C	C	.	.	H	α-helix	trans	-60.5	-49.8	174.2	-174.1	-177	-171	-167.4	1.4	111	L159 V163 E166 N269 L275 V276 K277	L159-R273 HydrophobicContact CD1-CB 3.89Å; L159-R273 HydrophobicContact CG-CB 4.4Å; V163-R273 HydrophobicContact CG2-CG 4.29Å; E166-R273 IonicContact OE1-NH2 3.78Å; E166-R273 PolarHBondContact OE1-NH2 3.49Å; E166-R273 VanDerWaalsContact OE1-NH2 3.16Å; E166-R273 IonicContact OE2-NH2 3.72Å; E166-R273 PolarHBondContact OE2-NH2 2.9Å; N269-R273 WeakPolarHBondContact O-CB 3.36Å; N269-R273 PolarHBondContact O-N 3.27Å; R273-L275 VanDerWaalsContact C-N 3.34Å; R273-L275 PolarHBondContact O-N 3.36Å; R273-V276 PolarHBondContact O-N 3Å; R273-K277 HydrophobicContact CG-CD 4.41Å; R273-K277 VanDerWaalsContact O-CB 3.31Å; R273-K277 WeakPolarHBondContact O-CB 3.3Å; R273-K277 WeakPolarHBondContact O-CG 3.38Å; R273-K277 PolarHBondContact O-N 2.89Å
274	S	91.4	Very high	88.3	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.014	22%	0.222	C	C	.	.	H	α-helix	trans	-64.1	-42	-178.3	-57.8	0	0	0	0	110.9	V270 L271 K277 V278	V270-S274 VanDerWaalsContact O-CB 3.22Å; V270-S274 WeakPolarHBondContact O-CB 3.27Å; V270-S274 PolarHBondContact O-N 3.31Å; V270-S274 PolarHBondContact O-OG 3.11Å; L271-S274 PolarHBondContact O-N 3.49Å; S274-K277 PolarHBondContact O-N 3.48Å; S274-V278 WeakPolarHBondContact O-CB 3.26Å; S274-V278 WeakPolarHBondContact O-CG2 3.2Å; S274-V278 PolarHBondContact O-N 3.03Å
275	L	91.3	Very high	88.8	Confident	84 Å²	84	37.9 Å²	37.9	44%	0.44	22%	0.217	S	C	.	.	H	α-helix	trans	-61.3	-52.4	177.2	-175.7	68.3	0	0	0	111.8	L271 L272 R273 K277 V278 V279	L271-L275 VanDerWaalsContact O-CB 3.29Å; L271-L275 WeakPolarHBondContact O-CB 3.45Å; L271-L275 PolarHBondContact O-N 3.35Å; L272-L275 PolarHBondContact O-N 2.9Å; R273-L275 VanDerWaalsContact C-N 3.34Å; R273-L275 PolarHBondContact O-N 3.36Å; L275-K277 VanDerWaalsContact C-N 3.28Å; L275-K277 PolarHBondContact O-N 3.03Å; L275-V278 PolarHBondContact O-N 3.38Å; L275-V279 WeakPolarHBondContact O-CG2 3.25Å; L275-V279 PolarHBondContact O-N 2.92Å
276	V	91.5	Very high	89.2	Confident	33 Å²	33	42.1 Å²	42.1	20%	0.2	24%	0.239	C	C	.	.	H	α-helix	trans	-62	-38.9	179.7	177.8	0	0	0	0	110.7	F156 L159 V160 V163 L272 R273 G280	F156-V276 HydrophobicContact CE2-CG2 4.3Å; L159-V276 HydrophobicContact CD2-CB 4.32Å; L159-V276 HydrophobicContact CD2-CG2 4.05Å; V160-V276 HydrophobicContact CG2-CG1 4.5Å; V163-V276 HydrophobicContact CB-CG1 4.1Å; V163-V276 HydrophobicContact CG1-CG1 3.79Å; V163-V276 HydrophobicContact CG2-CG1 4.41Å; L272-V276 HydrophobicContact CD1-CG2 4.47Å; L272-V276 WeakPolarHBondContact O-CB 2.98Å; L272-V276 VanDerWaalsContact O-CG2 3.23Å; L272-V276 WeakPolarHBondContact O-CG2 3.29Å; L272-V276 PolarHBondContact O-N 3Å; R273-V276 PolarHBondContact O-N 3Å; V276-G280 PolarHBondContact O-N 3.48Å
277	K	91	Very high	89.4	Confident	13 Å²	13	42.8 Å²	42.8	6%	0.057	25%	0.25	C	S	.	.	H	α-helix	trans	-65.5	-47.6	175.6	-81	-164.9	172.9	-150.5	0	113.2	V163 E166 R273 S274 L275 V279 G280 L281 Y422	V163-K277 HydrophobicContact CB-CG 4.28Å; V163-K277 HydrophobicContact CG1-CB 4.39Å; V163-K277 HydrophobicContact CG1-CG 3.56Å; V163-K277 HydrophobicContact CG2-CD 4.49Å; V163-K277 HydrophobicContact CG2-CG 3.72Å; E166-K277 WeakPolarHBondContact OE2-CE 3.34Å; E166-K277 IonicContact OE2-NZ 2.79Å; E166-K277 PolarHBondContact OE2-NZ 3.35Å; R273-K277 HydrophobicContact CG-CD 4.41Å; R273-K277 VanDerWaalsContact O-CB 3.31Å; R273-K277 WeakPolarHBondContact O-CB 3.3Å; R273-K277 WeakPolarHBondContact O-CG 3.38Å; R273-K277 PolarHBondContact O-N 2.89Å; S274-K277 PolarHBondContact O-N 3.48Å; L275-K277 VanDerWaalsContact C-N 3.28Å; L275-K277 PolarHBondContact O-N 3.03Å; K277-V279 VanDerWaalsContact C-N 3.33Å; K277-V279 PolarHBondContact O-N 3.05Å; K277-G280 PolarHBondContact O-N 3.39Å; K277-L281 HydrophobicContact CB-CD1 4.35Å; K277-L281 WeakPolarHBondContact O-CB 3.23Å; K277-L281 WeakPolarHBondContact O-CD1 3.23Å; K277-L281 WeakPolarHBondContact O-CG 3.4Å; K277-L281 PolarHBondContact O-N 2.94Å; K277-Y422 HydrophobicContact CB-CD1 4.44Å; K277-Y422 HydrophobicContact CB-CD2 4.11Å; K277-Y422 HydrophobicContact CB-CG 4.13Å; K277-Y422 HydrophobicContact CD-CD1 3.82Å; K277-Y422 HydrophobicContact CD-CD2 3.87Å; K277-Y422 HydrophobicContact CD-CE1 3.4Å; K277-Y422 HydrophobicContact CD-CE2 3.49Å; K277-Y422 VanDerWaalsContact CD-CE2 3.49Å; K277-Y422 HydrophobicContact CD-CG 4.08Å; K277-Y422 VanDerWaalsContact NZ-CZ 3.28Å; K277-Y422 PolarHBondContact NZ-OH 2.98Å
278	V	90.8	Very high	89.4	Confident	17 Å²	17	43.9 Å²	43.9	10%	0.103	26%	0.256	C	S	.	.	H	α-helix	trans	-59.9	-47.5	179.8	168.2	0	0	0	0	109.8	S274 L275 Y282 V423	S274-V278 WeakPolarHBondContact O-CB 3.26Å; S274-V278 WeakPolarHBondContact O-CG2 3.2Å; S274-V278 PolarHBondContact O-N 3.03Å; L275-V278 PolarHBondContact O-N 3.38Å; V278-Y282 HydrophobicContact CG1-CD2 3.7Å; V278-Y282 HydrophobicContact CG1-CE2 3.84Å; V278-Y282 WeakPolarHBondContact O-CB 3.37Å; V278-Y282 VanDerWaalsContact O-CD2 3.29Å; V278-Y282 WeakPolarHBondContact O-CD2 3.42Å; V278-Y282 PolarHBondContact O-N 2.9Å; V278-V423 HydrophobicContact CG1-CG2 4.12Å; V278-V423 HydrophobicContact CG2-CG2 3.84Å
279	V	90.4	Very high	89.6	Confident	99 Å²	99	42.6 Å²	42.6	60%	0.6	25%	0.245	S	C	*	.	H	α-helix	trans	-63.3	-47.1	178	175.3	0	0	0	0	111.3	L275 K277 G283	L275-V279 WeakPolarHBondContact O-CG2 3.25Å; L275-V279 PolarHBondContact O-N 2.92Å; K277-V279 VanDerWaalsContact C-N 3.33Å; K277-V279 PolarHBondContact O-N 3.05Å; V279-G283 PolarHBondContact O-N 2.93Å
280	G	89.9	Confident	89.5	Confident	24 Å²	24	45.6 Å²	45.6	25%	0.247	27%	0.266	C	S	.	.	H	α-helix	trans	-60.9	-52	179.2	0	0	0	0	0	112.4	V276 K277 Y282 G283 F284	V276-G280 PolarHBondContact O-N 3.48Å; K277-G280 PolarHBondContact O-N 3.39Å; G280-Y282 PolarHBondContact O-N 2.85Å; G280-G283 PolarHBondContact O-N 3.42Å; G280-G283 VanDerWaalsContact O-N 3.15Å; G280-F284 WeakPolarHBondContact O-CD2 3.46Å; G280-F284 PolarHBondContact O-N 3.17Å
281	L	90.9	Very high	89.2	Confident	9 Å²	9	48.5 Å²	48.5	5%	0.047	27%	0.271	C	S	.	.	H	α-helix	trans	-62.5	-44.6	-178.8	-69.9	165.7	0	0	0	112.1	T167 K277 G283 F284 M285 Y415 V419 Y422	T167-L281 HydrophobicContact CG2-CD2 3.97Å; K277-L281 HydrophobicContact CB-CD1 4.35Å; K277-L281 WeakPolarHBondContact O-CB 3.23Å; K277-L281 WeakPolarHBondContact O-CD1 3.23Å; K277-L281 WeakPolarHBondContact O-CG 3.4Å; K277-L281 PolarHBondContact O-N 2.94Å; L281-G283 VanDerWaalsContact C-N 3.3Å; L281-G283 PolarHBondContact O-N 2.95Å; L281-F284 PolarHBondContact O-N 3.48Å; L281-M285 WeakPolarHBondContact O-CB 3.46Å; L281-M285 VanDerWaalsContact O-CG 3.26Å; L281-M285 WeakPolarHBondContact O-CG 3.29Å; L281-M285 PolarHBondContact O-N 3.24Å; L281-Y415 HydrophobicContact CD2-CD1 3.32Å; L281-Y415 HydrophobicContact CD2-CE1 3.83Å; L281-Y415 HydrophobicContact CD2-CG 4.17Å; L281-V419 HydrophobicContact CB-CG2 3.3Å; L281-V419 HydrophobicContact CD1-CG2 3.63Å; L281-V419 HydrophobicContact CG-CG2 4.03Å; L281-Y422 HydrophobicContact CD1-CD2 3.85Å; L281-Y422 HydrophobicContact CD1-CE2 4.18Å
282	Y	89.4	Confident	88.9	Confident	36 Å²	36	46 Å²	46	14%	0.141	26%	0.258	C	S	.	.	H	α-helix	trans	-63.4	-36.5	174.6	-85.6	-58.9	0	0	0	112.3	V278 G280 F284 M285 L286 T293 L297 V419 V423	V278-Y282 HydrophobicContact CG1-CD2 3.7Å; V278-Y282 HydrophobicContact CG1-CE2 3.84Å; V278-Y282 WeakPolarHBondContact O-CB 3.37Å; V278-Y282 VanDerWaalsContact O-CD2 3.29Å; V278-Y282 WeakPolarHBondContact O-CD2 3.42Å; V278-Y282 PolarHBondContact O-N 2.9Å; G280-Y282 PolarHBondContact O-N 2.85Å; Y282-F284 PolarHBondContact O-N 2.92Å; Y282-M285 HydrophobicContact CD1-SD 4.36Å; Y282-M285 PolarHBondContact O-N 2.79Å; Y282-L286 WeakPolarHBondContact O-CB 3.36Å; Y282-L286 VanDerWaalsContact O-CG 3.24Å; Y282-L286 WeakPolarHBondContact O-CG 3.43Å; Y282-L286 PolarHBondContact O-N 3.37Å; Y282-T293 HydrophobicContact CD1-CG2 3.95Å; Y282-T293 HydrophobicContact CE1-CG2 4.33Å; Y282-L297 HydrophobicContact CE1-CD1 4.47Å; Y282-V419 HydrophobicContact CD2-CG1 4.15Å; Y282-V419 HydrophobicContact CE1-CG1 4.15Å; Y282-V419 HydrophobicContact CE2-CG1 3.49Å; Y282-V419 VanDerWaalsContact CE2-CG1 3.49Å; Y282-V419 VanDerWaalsContact CZ-CG1 3.49Å; Y282-V423 HydrophobicContact CE2-CG2 4.48Å
283	G	89.7	Confident	88.9	Confident	34 Å²	34	43.8 Å²	43.8	35%	0.351	25%	0.246	S	C	.	.	H	α-helix	trans	-59	-44.8	173.1	0	0	0	0	0	112.7	V279 G280 L281 S287	V279-G283 PolarHBondContact O-N 2.93Å; G280-G283 PolarHBondContact O-N 3.42Å; G280-G283 VanDerWaalsContact O-N 3.15Å; L281-G283 VanDerWaalsContact C-N 3.3Å; L281-G283 PolarHBondContact O-N 2.95Å; G283-S287 PolarHBondContact O-N 3.46Å; G283-S287 VanDerWaalsContact O-N 3.14Å; G283-S287 PolarHBondContact O-OG 2.95Å
284	F	89.1	Confident	88.5	Confident	55 Å²	55	44.2 Å²	44.2	24%	0.241	25%	0.253	C	S	.	.	H	α-helix	trans	-67.5	-42.7	174.8	-85.1	-82.9	0	0	0	112.6	T167 L168 G280 L281 Y282 L286 S287 I288 Y415	T167-F284 HydrophobicContact CG2-CD2 3.27Å; T167-F284 HydrophobicContact CG2-CE2 3.51Å; T167-F284 HydrophobicContact CG2-CG 4.04Å; T167-F284 HydrophobicContact CG2-CZ 4.43Å; L168-F284 HydrophobicContact CD2-CE1 4.17Å; L168-F284 HydrophobicContact CD2-CZ 3.82Å; G280-F284 WeakPolarHBondContact O-CD2 3.46Å; G280-F284 PolarHBondContact O-N 3.17Å; L281-F284 PolarHBondContact O-N 3.48Å; Y282-F284 PolarHBondContact O-N 2.92Å; F284-L286 PolarHBondContact O-N 3.27Å; F284-S287 WeakPolarHBondContact O-CB 3.45Å; F284-S287 PolarHBondContact O-N 3.1Å; F284-S287 VanDerWaalsContact O-N 3.13Å; F284-I288 WeakPolarHBondContact O-CG1 3.47Å; F284-I288 PolarHBondContact O-N 3.36Å; F284-I288 VanDerWaalsContact O-N 3.1Å; F284-Y415 HydrophobicContact CB-CE2 4.18Å
285	M	89.5	Confident	88.2	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.4	-43.7	177.3	-73.2	177.1	77	0	0	111.8	L281 Y282 S287 I288 S289 T293 F412 Y415 Q416 V419	L281-M285 WeakPolarHBondContact O-CB 3.46Å; L281-M285 VanDerWaalsContact O-CG 3.26Å; L281-M285 WeakPolarHBondContact O-CG 3.29Å; L281-M285 PolarHBondContact O-N 3.24Å; Y282-M285 HydrophobicContact CD1-SD 4.36Å; Y282-M285 PolarHBondContact O-N 2.79Å; M285-S287 VanDerWaalsContact C-N 3.27Å; M285-S287 PolarHBondContact O-N 3.32Å; M285-I288 PolarHBondContact O-N 3.1Å; M285-S289 PolarHBondContact O-N 2.94Å; M285-T293 HydrophobicContact CB-CG2 4.15Å; M285-T293 PolarHBondContact O-OG1 3.26Å; M285-F412 HydrophobicContact CB-CD2 4.24Å; M285-F412 HydrophobicContact CB-CE2 3.71Å; M285-F412 HydrophobicContact CE-CD2 4.3Å; M285-F412 HydrophobicContact CE-CE1 3.88Å; M285-F412 HydrophobicContact CE-CE2 3.57Å; M285-F412 HydrophobicContact CE-CZ 3.28Å; M285-F412 HydrophobicContact CG-CD2 4.16Å; M285-F412 HydrophobicContact CG-CE2 3.91Å; M285-Y415 HydrophobicContact CG-CD2 4.39Å; M285-Y415 HydrophobicContact CG-CG 4.41Å; M285-Q416 HydrophobicContact CE-CB 4Å; M285-V419 HydrophobicContact SD-CG2 3.86Å
286	L	89.6	Confident	87.7	Confident	97 Å²	97	42.2 Å²	42.2	51%	0.508	24%	0.243	S	C	.	.	H	α-helix	trans	-62.5	-34.8	175	-74.3	170.6	0	0	0	112.4	Y282 F284 I288 T293	Y282-L286 WeakPolarHBondContact O-CB 3.36Å; Y282-L286 VanDerWaalsContact O-CG 3.24Å; Y282-L286 WeakPolarHBondContact O-CG 3.43Å; Y282-L286 PolarHBondContact O-N 3.37Å; F284-L286 PolarHBondContact O-N 3.27Å; L286-I288 VanDerWaalsContact C-N 3.32Å; L286-T293 HydrophobicContact CD2-CG2 3.71Å; L286-T293 HydrophobicContact CG-CG2 3.97Å; L286-T293 PolarHBondContact N-OG1 2.8Å
287	S	87.6	Confident	87.3	Confident	102 Å²	102	45 Å²	45	71%	0.713	26%	0.256	S	S	*	.	H	α-helix	trans	-70.7	-27.7	177.6	-56.4	0	0	0	0	112.7	G283 F284 M285	G283-S287 PolarHBondContact O-N 3.46Å; G283-S287 VanDerWaalsContact O-N 3.14Å; G283-S287 PolarHBondContact O-OG 2.95Å; F284-S287 WeakPolarHBondContact O-CB 3.45Å; F284-S287 PolarHBondContact O-N 3.1Å; F284-S287 VanDerWaalsContact O-N 3.13Å; M285-S287 VanDerWaalsContact C-N 3.27Å; M285-S287 PolarHBondContact O-N 3.32Å
288	I	86.8	Confident	86.8	Confident	41 Å²	41	47.5 Å²	47.5	21%	0.21	27%	0.269	C	S	.	.	H	α-helix	trans	-82.4	-59.1	177.3	-66.2	168.5	0	0	0	110.8	F284 M285 L286 L404 F412 Y415	F284-I288 WeakPolarHBondContact O-CG1 3.47Å; F284-I288 PolarHBondContact O-N 3.36Å; F284-I288 VanDerWaalsContact O-N 3.1Å; M285-I288 PolarHBondContact O-N 3.1Å; L286-I288 VanDerWaalsContact C-N 3.32Å; I288-L404 HydrophobicContact CG2-CD1 3.68Å; I288-F412 HydrophobicContact CB-CD2 4.39Å; I288-F412 HydrophobicContact CG2-CD2 4.29Å; I288-Y415 HydrophobicContact CD1-CD2 4.09Å; I288-Y415 HydrophobicContact CD1-CE2 3.89Å
289	S	87.4	Confident	86.3	Confident	6 Å²	6	47.6 Å²	47.6	4%	0.042	27%	0.269	C	S	.	.			trans	-152.6	113.3	179.3	174.1	0	0	0	0	110.7	M285 R291 L292 T293 Q398	M285-S289 PolarHBondContact O-N 2.94Å; S289-R291 PolarHBondContact O-N 3.01Å; S289-L292 PolarHBondContact OG-N 3.36Å; S289-T293 WeakPolarHBondContact O-CB 3.49Å; S289-T293 PolarHBondContact O-N 2.66Å; S289-T293 VanDerWaalsContact O-N 3.14Å; S289-T293 PolarHBondContact O-OG1 3.37Å; S289-Q398 PolarHBondContact OG-OE1 3.12Å
290	P	85.5	Confident	85.7	Confident	86 Å²	86	43.6 Å²	43.6	56%	0.558	24%	0.244	S	C	*	.	H	α-helix	trans	-66.4	-28.7	176.2	25.5	-32.6	0	0	0	112.1	T293 L294	P290-T293 PolarHBondContact O-N 3.39Å; P290-L294 PolarHBondContact O-N 3.3Å
291	R	83.2	Confident	85.3	Confident	114 Å²	114	46.2 Å²	46.2	43%	0.43	26%	0.256	S	S	.	.	H	α-helix	trans	-67.5	-49.5	-179.8	-65.4	-175.5	178	157.3	0.6	111.6	L82 S289 T293 L294 L295 E403	L82-R291 HydrophobicContact CD2-CG 3.97Å; S289-R291 PolarHBondContact O-N 3.01Å; R291-T293 VanDerWaalsContact C-N 3.3Å; R291-T293 PolarHBondContact O-N 3.19Å; R291-L294 PolarHBondContact O-N 3.3Å; R291-L295 PolarHBondContact O-N 3.31Å; R291-E403 IonicContact CZ-OE1 3.2Å; R291-E403 IonicContact CZ-OE2 2.67Å; R291-E403 IonicContact NH1-OE1 2.96Å; R291-E403 PolarHBondContact NH1-OE1 3.41Å; R291-E403 IonicContact NH1-OE2 3.88Å; R291-E403 PolarHBondContact NH1-OE2 3.32Å; R291-E403 IonicContact NH2-OE1 3.59Å
292	L	84.3	Confident	84.9	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-68.1	-33.5	177.3	-62.8	175.9	0	0	0	111.4	S289 L295 S296 M391 C394 L404 L409 F412	S289-L292 PolarHBondContact OG-N 3.36Å; L292-L295 WeakPolarHBondContact O-CB 3.43Å; L292-L295 PolarHBondContact O-N 3.37Å; L292-S296 PolarHBondContact O-N 3.07Å; L292-M391 HydrophobicContact CD2-CG 4.5Å; L292-C394 HydrophobicContact CD2-CB 3.85Å; L292-L404 HydrophobicContact CD1-CD2 3.84Å; L292-L409 HydrophobicContact CD1-CD1 4.37Å; L292-F412 VanDerWaalsContact C-CZ 3.4Å; L292-F412 HydrophobicContact CB-CD1 4.08Å; L292-F412 HydrophobicContact CB-CE1 3.4Å; L292-F412 HydrophobicContact CB-CE2 3.94Å; L292-F412 HydrophobicContact CB-CZ 3.33Å; L292-F412 HydrophobicContact CD1-CD1 4.05Å; L292-F412 HydrophobicContact CD1-CE1 4.21Å; L292-F412 HydrophobicContact CD1-CG 4.41Å; L292-F412 HydrophobicContact CG-CE1 4.38Å
293	T	86.6	Confident	84.4	Confident	6 Å²	6	50.8 Å²	50.8	4%	0.037	28%	0.278	C	S	.	.	H	α-helix	trans	-63.8	-43.4	177.5	-55.6	0	0	0	0	111.8	Y282 M285 L286 S289 P290 R291 L295 S296 L297	Y282-T293 HydrophobicContact CD1-CG2 3.95Å; Y282-T293 HydrophobicContact CE1-CG2 4.33Å; M285-T293 HydrophobicContact CB-CG2 4.15Å; M285-T293 PolarHBondContact O-OG1 3.26Å; L286-T293 HydrophobicContact CD2-CG2 3.71Å; L286-T293 HydrophobicContact CG-CG2 3.97Å; L286-T293 PolarHBondContact N-OG1 2.8Å; S289-T293 WeakPolarHBondContact O-CB 3.49Å; S289-T293 PolarHBondContact O-N 2.66Å; S289-T293 VanDerWaalsContact O-N 3.14Å; S289-T293 PolarHBondContact O-OG1 3.37Å; P290-T293 PolarHBondContact O-N 3.39Å; R291-T293 VanDerWaalsContact C-N 3.3Å; R291-T293 PolarHBondContact O-N 3.19Å; T293-L295 VanDerWaalsContact C-N 3.29Å; T293-L295 PolarHBondContact O-N 2.94Å; T293-S296 PolarHBondContact O-N 3.32Å; T293-S296 PolarHBondContact O-OG 3.21Å; T293-L297 PolarHBondContact O-N 3.3Å
294	L	83.1	Confident	84	Confident	70 Å²	70	51.9 Å²	51.9	37%	0.366	28%	0.275	S	S	.	.	H	α-helix	trans	-60.8	-39.6	176.1	-174.4	67.6	0	0	0	112.1	L79 P290 R291 L297 L298	L79-L294 HydrophobicContact CD1-CD2 4.47Å; P290-L294 PolarHBondContact O-N 3.3Å; R291-L294 PolarHBondContact O-N 3.3Å; L294-L297 PolarHBondContact O-N 3.43Å; L294-L298 PolarHBondContact O-N 2.96Å
295	L	83.6	Confident	83.6	Confident	40 Å²	40	50.4 Å²	50.4	21%	0.209	27%	0.273	C	S	.	.	H	α-helix	trans	-62.4	-43.7	175.5	-176.3	65.7	0	0	0	111.6	R291 L292 T293 L297 L298 H299 L390 M391	R291-L295 PolarHBondContact O-N 3.31Å; L292-L295 WeakPolarHBondContact O-CB 3.43Å; L292-L295 PolarHBondContact O-N 3.37Å; T293-L295 VanDerWaalsContact C-N 3.29Å; T293-L295 PolarHBondContact O-N 2.94Å; L295-L297 VanDerWaalsContact C-N 3.3Å; L295-L297 PolarHBondContact O-N 3.36Å; L295-L298 PolarHBondContact O-N 2.83Å; L295-H299 PolarHBondContact O-N 3.08Å; L295-L390 HydrophobicContact CD1-CD2 3.78Å; L295-L390 HydrophobicContact CD1-CG 4.4Å; L295-L390 HydrophobicContact CD2-CD2 4.29Å; L295-L390 HydrophobicContact CD2-CG 4.04Å; L295-M391 HydrophobicContact CD2-CB 4.47Å
296	S	82.6	Confident	83.2	Confident	4 Å²	4	52 Å²	52	3%	0.028	29%	0.287	C	S	.	.	H	α-helix	trans	-63.8	-35.8	176	79.2	0	0	0	0	112.5	L292 T293 H299	L292-S296 PolarHBondContact O-N 3.07Å; T293-S296 PolarHBondContact O-N 3.32Å; T293-S296 PolarHBondContact O-OG 3.21Å; S296-H299 PolarHBondContact O-N 2.96Å
297	L	82.6	Confident	82.8	Confident	91 Å²	91	48.5 Å²	48.5	48%	0.476	27%	0.268	S	S	.	.	H	α-helix	trans	-68.8	-35.6	177.9	-171.3	67.5	0	0	0	111.5	Y282 T293 L294 L295 H299 M300 P301	Y282-L297 HydrophobicContact CE1-CD1 4.47Å; T293-L297 PolarHBondContact O-N 3.3Å; L294-L297 PolarHBondContact O-N 3.43Å; L295-L297 VanDerWaalsContact C-N 3.3Å; L295-L297 PolarHBondContact O-N 3.36Å; L297-H299 PolarHBondContact O-N 3.2Å; L297-M300 PolarHBondContact O-N 2.87Å; L297-P301 WeakPolarHBondContact O-CD 3.49Å
298	L	79.9	Confident	82.4	Confident	65 Å²	65	47.8 Å²	47.8	34%	0.34	25%	0.252	S	S	.	.	H	α-helix	trans	-65.1	-28	177.5	-174.5	63.2	0	0	0	112.8	L79 L294 L295 P301 F302	L79-L298 HydrophobicContact CD1-CD2 4.28Å; L79-L298 HydrophobicContact CD2-CD2 3.89Å; L294-L298 PolarHBondContact O-N 2.96Å; L295-L298 PolarHBondContact O-N 2.83Å; L298-P301 WeakPolarHBondContact O-CD 3.09Å; L298-F302 WeakPolarHBondContact O-CD2 3.44Å; L298-F302 WeakPolarHBondContact O-CE2 3.41Å
299	H	79.6	Confident	82.2	Confident	19 Å²	19	48.9 Å²	48.9	9%	0.088	26%	0.26	C	S	.	.	H	α-helix	trans	-70	-32.6	176.1	172.9	57.4	0	0	0	113	L295 S296 L297 F302 T303 V387	L295-H299 PolarHBondContact O-N 3.08Å; S296-H299 PolarHBondContact O-N 2.96Å; L297-H299 PolarHBondContact O-N 3.2Å; H299-F302 WeakPolarHBondContact O-CB 3.12Å; H299-F302 PolarHBondContact O-N 2.93Å; H299-F302 VanDerWaalsContact O-N 3.13Å; H299-T303 WeakPolarHBondContact CE1-CG2 3.48Å; H299-T303 VanDerWaalsContact NE2-CG2 3.34Å; H299-T303 WeakPolarHBondContact NE2-CG2 3.46Å; H299-T303 PolarHBondContact O-N 3.23Å; H299-V387 HydrophobicContact CB-CG1 4.1Å; H299-V387 HydrophobicContact CB-CG2 4.01Å; H299-V387 VanDerWaalsContact ND1-CG2 3.34Å; H299-V387 WeakPolarHBondContact ND1-CG2 3.11Å
300	M	79.5	Confident	82.1	Confident	16 Å²	16	50 Å²	50	8%	0.079	26%	0.264	C	S	.	.	H	α-helix	trans	-59.4	-45.2	-171.8	-70.2	-71	172.8	0	0	114.5	L297 F302 T303 I304 V419 V423	L297-M300 PolarHBondContact O-N 2.87Å; M300-F302 VanDerWaalsContact C-N 3.26Å; M300-F302 PolarHBondContact O-N 2.96Å; M300-T303 WeakPolarHBondContact CA-OG1 3.4Å; M300-T303 PolarHBondContact O-N 3.29Å; M300-T303 PolarHBondContact O-OG1 2.92Å; M300-I304 VanDerWaalsContact O-CG1 3.26Å; M300-I304 WeakPolarHBondContact O-CG1 3.5Å; M300-I304 PolarHBondContact O-N 3.39Å; M300-V419 HydrophobicContact CE-CG1 3.76Å; M300-V423 HydrophobicContact CE-CG2 4.23Å; M300-V423 HydrophobicContact SD-CB 4.02Å; M300-V423 HydrophobicContact SD-CG1 3.93Å; M300-V423 HydrophobicContact SD-CG2 4.15Å
301	P	80.8	Confident	81.9	Confident	79 Å²	79	48.2 Å²	48.2	51%	0.513	25%	0.249	S	C	.	.	H	α-helix	trans	-57.2	-37	175.8	-27.1	34.5	0	0	0	113.6	L297 L298 A305	L297-P301 WeakPolarHBondContact O-CD 3.49Å; L298-P301 WeakPolarHBondContact O-CD 3.09Å; P301-A305 VanDerWaalsContact O-CB 3.31Å; P301-A305 WeakPolarHBondContact O-CB 3.45Å; P301-A305 PolarHBondContact O-N 3.32Å
302	F	81.8	Confident	81.8	Confident	126 Å²	126	46.6 Å²	46.6	55%	0.553	25%	0.252	S	S	*	.	H	α-helix	trans	-68.1	-43.2	179.6	-66.1	-81.5	0	0	0	111.6	L298 H299 M300 A305 A306 L383	L298-F302 WeakPolarHBondContact O-CD2 3.44Å; L298-F302 WeakPolarHBondContact O-CE2 3.41Å; H299-F302 WeakPolarHBondContact O-CB 3.12Å; H299-F302 PolarHBondContact O-N 2.93Å; H299-F302 VanDerWaalsContact O-N 3.13Å; M300-F302 VanDerWaalsContact C-N 3.26Å; M300-F302 PolarHBondContact O-N 2.96Å; F302-A305 PolarHBondContact O-N 2.95Å; F302-A306 WeakPolarHBondContact O-CB 3.48Å; F302-A306 PolarHBondContact O-N 3.27Å; F302-L383 HydrophobicContact CB-CD2 4.16Å
303	T	80.1	Confident	81.8	Confident	14 Å²	14	53.4 Å²	53.4	9%	0.086	28%	0.278	C	S	.	.	H	α-helix	trans	-65.4	-42.1	176.8	48.2	0	0	0	0	111.9	H299 M300 A306 E307 L383	H299-T303 WeakPolarHBondContact CE1-CG2 3.48Å; H299-T303 VanDerWaalsContact NE2-CG2 3.34Å; H299-T303 WeakPolarHBondContact NE2-CG2 3.46Å; H299-T303 PolarHBondContact O-N 3.23Å; M300-T303 WeakPolarHBondContact CA-OG1 3.4Å; M300-T303 PolarHBondContact O-N 3.29Å; M300-T303 PolarHBondContact O-OG1 2.92Å; T303-A306 PolarHBondContact O-N 2.97Å; T303-E307 VanDerWaalsContact O-CB 3.28Å; T303-E307 WeakPolarHBondContact O-CB 3.18Å; T303-E307 PolarHBondContact O-N 3.25Å; T303-L383 HydrophobicContact CG2-CD2 3.94Å
304	I	80.4	Confident	81.7	Confident	57 Å²	57	55.4 Å²	55.4	29%	0.292	29%	0.287	S	S	.	.	H	α-helix	trans	-64.4	-42.4	178.6	-67.2	168.6	0	0	0	110.5	M300 E307 K308 V423 V427	M300-I304 VanDerWaalsContact O-CG1 3.26Å; M300-I304 WeakPolarHBondContact O-CG1 3.5Å; M300-I304 PolarHBondContact O-N 3.39Å; I304-E307 PolarHBondContact O-N 2.95Å; I304-K308 WeakPolarHBondContact O-CB 3.34Å; I304-K308 PolarHBondContact O-N 3.4Å; I304-V423 HydrophobicContact CD1-CG1 4.28Å; I304-V427 HydrophobicContact CD1-CG2 4.25Å; I304-V427 HydrophobicContact CG1-CG2 4.29Å
305	A	80.2	Confident	81.5	Confident	24 Å²	24	58.5 Å²	58.5	20%	0.198	30%	0.299	C	S	.	.	H	α-helix	trans	-63.6	-47.2	177.4	0	0	0	0	0	111.9	L119 P301 F302 E307 K308 V309	L119-A305 HydrophobicContact CD1-CB 4.36Å; P301-A305 VanDerWaalsContact O-CB 3.31Å; P301-A305 WeakPolarHBondContact O-CB 3.45Å; P301-A305 PolarHBondContact O-N 3.32Å; F302-A305 PolarHBondContact O-N 2.95Å; A305-E307 VanDerWaalsContact C-N 3.34Å; A305-E307 PolarHBondContact O-N 2.93Å; A305-K308 PolarHBondContact O-N 3.17Å; A305-V309 WeakPolarHBondContact O-CG2 3.27Å; A305-V309 PolarHBondContact O-N 3.43Å; A305-V309 VanDerWaalsContact O-N 3.15Å
306	A	81.6	Confident	81.7	Confident	35 Å²	35	61.8 Å²	61.8	29%	0.289	31%	0.314	S	S	.	.	H	α-helix	trans	-60.9	-42.9	177.7	0	0	0	0	0	112	F302 T303 Y310	F302-A306 WeakPolarHBondContact O-CB 3.48Å; F302-A306 PolarHBondContact O-N 3.27Å; T303-A306 PolarHBondContact O-N 2.97Å; A306-Y310 PolarHBondContact O-N 2.85Å; A306-Y310 VanDerWaalsContact O-N 3.08Å
307	E	80.6	Confident	81.9	Confident	22 Å²	22	61.7 Å²	61.7	10%	0.103	31%	0.313	C	S	.	.	H	α-helix	trans	-66	-41.1	177.5	-176.7	171.3	-175.8	0	0	112.4	T303 I304 A305 V309 Y310 N311 Q424	T303-E307 VanDerWaalsContact O-CB 3.28Å; T303-E307 WeakPolarHBondContact O-CB 3.18Å; T303-E307 PolarHBondContact O-N 3.25Å; I304-E307 PolarHBondContact O-N 2.95Å; A305-E307 VanDerWaalsContact C-N 3.34Å; A305-E307 PolarHBondContact O-N 2.93Å; E307-V309 PolarHBondContact O-N 3.29Å; E307-Y310 PolarHBondContact O-N 3.44Å; E307-N311 WeakPolarHBondContact O-CB 3.46Å; E307-N311 PolarHBondContact O-N 3.37Å; E307-Q424 WeakPolarHBondContact OE2-CG 3.26Å
308	K	80.1	Confident	82.1	Confident	87 Å²	87	60.3 Å²	60.3	38%	0.378	31%	0.306	S	S	.	.	H	α-helix	trans	-61.8	-43.1	177.5	-170.5	-180	-172.3	-171.8	0	112.3	L119 I304 A305 Y310 T312	L119-K308 HydrophobicContact CB-CD 4.45Å; L119-K308 HydrophobicContact CD2-CD 4.3Å; L119-K308 WeakPolarHBondContact O-CE 3.42Å; L119-K308 PolarHBondContact O-NZ 3.32Å; I304-K308 WeakPolarHBondContact O-CB 3.34Å; I304-K308 PolarHBondContact O-N 3.4Å; A305-K308 PolarHBondContact O-N 3.17Å; K308-Y310 VanDerWaalsContact C-N 3.35Å; K308-T312 PolarHBondContact O-N 2.95Å; K308-T312 VanDerWaalsContact O-N 3.09Å; K308-T312 PolarHBondContact O-OG1 2.88Å
309	V	83.6	Confident	82.4	Confident	64 Å²	64	65.2 Å²	65.2	39%	0.388	32%	0.32	S	S	.	.	H	α-helix	trans	-62.2	-45.3	176.2	174.4	0	0	0	0	110.4	L119 A305 E307 R313	L119-V309 HydrophobicContact CD2-CG2 3.51Å; A305-V309 WeakPolarHBondContact O-CG2 3.27Å; A305-V309 PolarHBondContact O-N 3.43Å; A305-V309 VanDerWaalsContact O-N 3.15Å; E307-V309 PolarHBondContact O-N 3.29Å; V309-R313 PolarHBondContact O-N 3.45Å
310	Y	84.6	Confident	83	Confident	31 Å²	31	67.2 Å²	67.2	12%	0.122	33%	0.329	C	S	.	.	H	α-helix	trans	-61.5	-51.3	176.8	172.7	-106.5	0	0	0	111.9	A306 E307 K308 T312 R313 H314 R373 Y376	A306-Y310 PolarHBondContact O-N 2.85Å; A306-Y310 VanDerWaalsContact O-N 3.08Å; E307-Y310 PolarHBondContact O-N 3.44Å; K308-Y310 VanDerWaalsContact C-N 3.35Å; Y310-T312 VanDerWaalsContact C-N 3.3Å; Y310-T312 PolarHBondContact O-N 3.3Å; Y310-R313 PolarHBondContact O-N 3.45Å; Y310-H314 HydrophobicContact CE1-CB 4.29Å; Y310-H314 HydrophobicContact CE2-CB 4.39Å; Y310-H314 WeakPolarHBondContact O-CB 3.38Å; Y310-H314 PolarHBondContact O-N 3.48Å; Y310-R373 HydrophobicContact CE2-CB 4.27Å; Y310-R373 WeakPolarHBondContact OH-CG 3.19Å; Y310-Y376 AromaticContact CD1-CD1 3.92Å; Y310-Y376 HydrophobicContact CD1-CD1 3.92Å; Y310-Y376 HydrophobicContact CD1-CD2 4.35Å; Y310-Y376 AromaticContact CD1-CE1 3.98Å; Y310-Y376 HydrophobicContact CD1-CE1 3.98Å; Y310-Y376 HydrophobicContact CD1-CE2 4.39Å; Y310-Y376 HydrophobicContact CD1-CG 4.11Å; Y310-Y376 HydrophobicContact CD2-CD1 4.12Å; Y310-Y376 HydrophobicContact CD2-CD2 4.2Å; Y310-Y376 AromaticContact CD2-CG 3.71Å; Y310-Y376 HydrophobicContact CD2-CG 3.71Å; Y310-Y376 HydrophobicContact CE1-CD1 4.06Å; Y310-Y376 HydrophobicContact CE1-CE1 4.24Å; Y310-Y376 HydrophobicContact CE2-CD1 4.27Å; Y310-Y376 HydrophobicContact CE2-CG 4.22Å; Y310-Y376 AromaticContact CG-CD1 3.94Å; Y310-Y376 HydrophobicContact CG-CD1 3.94Å; Y310-Y376 AromaticContact CG-CD2 3.79Å; Y310-Y376 HydrophobicContact CG-CD2 3.79Å; Y310-Y376 HydrophobicContact CG-CE1 4.33Å; Y310-Y376 HydrophobicContact CG-CE2 4.18Å; Y310-Y376 AromaticContact CG-CG 3.64Å; Y310-Y376 HydrophobicContact CG-CG 3.64Å
311	N	80.9	Confident	83.7	Confident	47 Å²	47	66.8 Å²	66.8	25%	0.251	33%	0.327	S	S	.	.	H	α-helix	trans	-60.7	-38.1	-176.9	-77.3	-12.2	0	0	0	112.3	E307 H314 Q315	E307-N311 WeakPolarHBondContact O-CB 3.46Å; E307-N311 PolarHBondContact O-N 3.37Å; N311-H314 PolarHBondContact O-N 3.16Å; N311-Q315 WeakPolarHBondContact O-CB 3.24Å; N311-Q315 VanDerWaalsContact O-CG 3.31Å; N311-Q315 WeakPolarHBondContact O-CG 3.33Å; N311-Q315 PolarHBondContact O-N 2.83Å
312	T	80.8	Confident	84	Confident	81 Å²	81	68.7 Å²	68.7	50%	0.497	33%	0.329	S	S	.	.	H	α-helix	trans	-63.5	-48.2	178.5	-51.6	0	0	0	0	111.2	K308 Y310 E316	K308-T312 PolarHBondContact O-N 2.95Å; K308-T312 VanDerWaalsContact O-N 3.09Å; K308-T312 PolarHBondContact O-OG1 2.88Å; Y310-T312 VanDerWaalsContact C-N 3.3Å; Y310-T312 PolarHBondContact O-N 3.3Å; T312-E316 PolarHBondContact O-N 3.49Å
313	R	83.9	Confident	84.5	Confident	143 Å²	143	66.7 Å²	66.7	54%	0.54	32%	0.324	S	S	.	.	H	α-helix	trans	-66.4	-41.9	176.1	-74.8	-175.6	139.3	120.8	-1.9	112.2	V309 Y310 Q315 E316 V317	V309-R313 PolarHBondContact O-N 3.45Å; Y310-R313 PolarHBondContact O-N 3.45Å; R313-Q315 VanDerWaalsContact C-N 3.32Å; R313-Q315 PolarHBondContact O-N 3.39Å; R313-E316 PolarHBondContact O-N 3.04Å; R313-V317 WeakPolarHBondContact O-CG2 3.17Å; R313-V317 PolarHBondContact O-N 2.91Å
314	H	84.5	Confident	85.1	Confident	48 Å²	48	66.1 Å²	66.1	22%	0.222	32%	0.321	C	S	.	.	H	α-helix	trans	-59.5	-43.1	179.5	-178.8	66.9	0	0	0	111.6	Y310 N311 L318	Y310-H314 HydrophobicContact CE1-CB 4.29Å; Y310-H314 HydrophobicContact CE2-CB 4.39Å; Y310-H314 WeakPolarHBondContact O-CB 3.38Å; Y310-H314 PolarHBondContact O-N 3.48Å; N311-H314 PolarHBondContact O-N 3.16Å; H314-L318 WeakPolarHBondContact O-CB 3.21Å; H314-L318 PolarHBondContact O-N 3.45Å
315	Q	80.8	Confident	85.8	Confident	135 Å²	135	66.6 Å²	66.6	63%	0.631	33%	0.326	S	S	*	.	H	α-helix	trans	-64.4	-39.9	176.9	-77.3	-178.7	-12.3	0	0	112.7	N311 R313 L318 R319	N311-Q315 WeakPolarHBondContact O-CB 3.24Å; N311-Q315 VanDerWaalsContact O-CG 3.31Å; N311-Q315 WeakPolarHBondContact O-CG 3.33Å; N311-Q315 PolarHBondContact O-N 2.83Å; R313-Q315 VanDerWaalsContact C-N 3.32Å; R313-Q315 PolarHBondContact O-N 3.39Å; Q315-L318 PolarHBondContact O-N 2.91Å; Q315-R319 PolarHBondContact O-N 2.92Å
316	E	85.9	Confident	86.3	Confident	110 Å²	110	67.9 Å²	67.9	51%	0.514	34%	0.337	S	S	.	.	H	α-helix	trans	-62.6	-51.2	176.9	-174.2	173.9	-159.2	0	0	111.4	T312 R313 L318 R319 E320	T312-E316 PolarHBondContact O-N 3.49Å; R313-E316 PolarHBondContact O-N 3.04Å; E316-L318 VanDerWaalsContact C-N 3.3Å; E316-L318 PolarHBondContact O-N 3.26Å; E316-R319 WeakPolarHBondContact O-CB 3.34Å; E316-R319 PolarHBondContact O-N 2.87Å; E316-E320 PolarHBondContact O-N 2.94Å; E316-E320 VanDerWaalsContact O-N 3.09Å
317	V	88.3	Confident	86.8	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.006	34%	0.344	C	S	.	.	H	α-helix	trans	-63.6	-36.9	177.4	177.8	0	0	0	0	111.2	R313 R319 E320 I321 R369	R313-V317 WeakPolarHBondContact O-CG2 3.17Å; R313-V317 PolarHBondContact O-N 2.91Å; V317-R319 VanDerWaalsContact C-N 3.31Å; V317-R319 PolarHBondContact O-N 3.27Å; V317-E320 PolarHBondContact O-N 2.95Å; V317-I321 HydrophobicContact CG1-CD1 3.99Å; V317-I321 HydrophobicContact CG1-CG1 4.41Å; V317-I321 VanDerWaalsContact O-CG1 3.28Å; V317-I321 WeakPolarHBondContact O-CG1 3.21Å; V317-I321 PolarHBondContact O-N 2.65Å; V317-R369 HydrophobicContact CG1-CB 3.85Å; V317-R369 HydrophobicContact CG1-CG 4.49Å
318	L	86.6	Confident	87.5	Confident	63 Å²	63	70.9 Å²	70.9	33%	0.33	34%	0.341	S	S	.	.	H	α-helix	trans	-64.3	-37.4	177.4	-171.5	65	0	0	0	111.8	H314 Q315 E316 I321 Q322	H314-L318 WeakPolarHBondContact O-CB 3.21Å; H314-L318 PolarHBondContact O-N 3.45Å; Q315-L318 PolarHBondContact O-N 2.91Å; E316-L318 VanDerWaalsContact C-N 3.3Å; E316-L318 PolarHBondContact O-N 3.26Å; L318-I321 PolarHBondContact O-N 3.47Å; L318-Q322 WeakPolarHBondContact O-CG 2.98Å; L318-Q322 PolarHBondContact O-N 3.04Å
319	R	86.6	Confident	88.2	Confident	167 Å²	167	68 Å²	68	63%	0.63	34%	0.336	S	S	*	.	H	α-helix	trans	-65.7	-44.8	174.4	-165.2	177.8	74.3	145.7	3.6	111.4	Q315 E316 V317 I321 Q322 D323	Q315-R319 PolarHBondContact O-N 2.92Å; E316-R319 WeakPolarHBondContact O-CB 3.34Å; E316-R319 PolarHBondContact O-N 2.87Å; V317-R319 VanDerWaalsContact C-N 3.31Å; V317-R319 PolarHBondContact O-N 3.27Å; R319-I321 VanDerWaalsContact C-N 3.28Å; R319-I321 PolarHBondContact O-N 3.43Å; R319-Q322 PolarHBondContact O-N 2.9Å; R319-Q322 VanDerWaalsContact O-N 3.15Å; R319-D323 PolarHBondContact O-N 3.03Å
320	E	92.2	Very high	88.7	Confident	62 Å²	62	69.2 Å²	69.2	29%	0.29	34%	0.338	S	S	.	.	H	α-helix	trans	-58.5	-40.5	174.3	-67.7	177	178.7	0	0	112	E316 V317 D323 A324 L365 R368	E316-E320 PolarHBondContact O-N 2.94Å; E316-E320 VanDerWaalsContact O-N 3.09Å; V317-E320 PolarHBondContact O-N 2.95Å; E320-D323 PolarHBondContact O-N 3.4Å; E320-A324 WeakPolarHBondContact O-CB 3Å; E320-A324 PolarHBondContact O-N 3.2Å; E320-L365 HydrophobicContact CB-CD1 4.06Å; E320-L365 HydrophobicContact CB-CD2 4.11Å; E320-L365 WeakPolarHBondContact OE2-CD2 3.04Å; E320-R368 IonicContact OE2-NH1 3.58Å
321	I	92.7	Very high	89.2	Confident	6 Å²	6	68.7 Å²	68.7	3%	0.031	34%	0.338	C	S	.	.	H	α-helix	trans	-63.3	-45.4	175.1	-70.7	168	0	0	0	110.8	V317 L318 R319 D323 A324 V325 L365 Y366 R369	V317-I321 HydrophobicContact CG1-CD1 3.99Å; V317-I321 HydrophobicContact CG1-CG1 4.41Å; V317-I321 VanDerWaalsContact O-CG1 3.28Å; V317-I321 WeakPolarHBondContact O-CG1 3.21Å; V317-I321 PolarHBondContact O-N 2.65Å; L318-I321 PolarHBondContact O-N 3.47Å; R319-I321 VanDerWaalsContact C-N 3.28Å; R319-I321 PolarHBondContact O-N 3.43Å; I321-D323 VanDerWaalsContact C-N 3.32Å; I321-D323 PolarHBondContact O-N 3.45Å; I321-A324 PolarHBondContact O-N 3.47Å; I321-V325 HydrophobicContact CG2-CG2 4.17Å; I321-V325 WeakPolarHBondContact O-CB 3.19Å; I321-V325 VanDerWaalsContact O-CG2 3.28Å; I321-V325 WeakPolarHBondContact O-CG2 3.18Å; I321-V325 PolarHBondContact O-N 2.87Å; I321-L365 HydrophobicContact CD1-CB 4.4Å; I321-L365 HydrophobicContact CG1-CB 3.61Å; I321-L365 HydrophobicContact CG1-CD1 4.38Å; I321-Y366 HydrophobicContact CD1-CD1 4.11Å; I321-Y366 HydrophobicContact CD1-CE1 4.25Å; I321-Y366 HydrophobicContact CG2-CE1 3.93Å; I321-Y366 HydrophobicContact CG2-CE2 4.27Å; I321-R369 HydrophobicContact CD1-CB 4.1Å; I321-R369 HydrophobicContact CD1-CG 4.4Å
322	Q	87.6	Confident	89.9	Confident	119 Å²	119	69.4 Å²	69.4	56%	0.556	34%	0.343	S	S	*	.	H	α-helix	trans	-59.3	-44.3	177.9	-75.2	177.1	-0.8	0	0	111.4	L318 R319 V325 A326	L318-Q322 WeakPolarHBondContact O-CG 2.98Å; L318-Q322 PolarHBondContact O-N 3.04Å; R319-Q322 PolarHBondContact O-N 2.9Å; R319-Q322 VanDerWaalsContact O-N 3.15Å; Q322-V325 PolarHBondContact O-N 3.46Å; Q322-A326 WeakPolarHBondContact O-CB 3.31Å; Q322-A326 PolarHBondContact O-N 2.87Å
323	D	92.1	Very high	90.5	Very high	84 Å²	84	73.3 Å²	73.3	45%	0.449	35%	0.349	S	S	.	.	H	α-helix	trans	-64.4	-41.3	177.1	-68.5	-24.8	0	0	0	111.8	R319 E320 I321 A326 R327	R319-D323 PolarHBondContact O-N 3.03Å; E320-D323 PolarHBondContact O-N 3.4Å; I321-D323 VanDerWaalsContact C-N 3.32Å; I321-D323 PolarHBondContact O-N 3.45Å; D323-A326 PolarHBondContact O-N 3.46Å; D323-R327 WeakPolarHBondContact O-CG 3.46Å; D323-R327 PolarHBondContact O-N 2.92Å; D323-R327 VanDerWaalsContact O-N 3.09Å; D323-R327 PolarHBondContact O-NH1 2.67Å
324	A	93.4	Very high	91	Very high	2 Å²	2	71.1 Å²	71.1	2%	0.017	35%	0.345	C	S	.	.	H	α-helix	trans	-65.8	-43.2	177.2	0	0	0	0	0	112.4	E320 I321 A326 R327 A328 C362 L365	E320-A324 WeakPolarHBondContact O-CB 3Å; E320-A324 PolarHBondContact O-N 3.2Å; I321-A324 PolarHBondContact O-N 3.47Å; A324-A326 VanDerWaalsContact C-N 3.34Å; A324-R327 PolarHBondContact O-N 3.45Å; A324-A328 PolarHBondContact O-N 2.77Å; A324-C362 VanDerWaalsContact C-SG 3.58Å; A324-L365 HydrophobicContact CB-CD1 3.75Å
325	V	94.3	Very high	91.4	Very high	68 Å²	68	69.7 Å²	69.7	41%	0.412	34%	0.342	S	S	.	.	H	α-helix	trans	-65	-38.9	175.5	170.7	0	0	0	0	110.8	I321 Q322 R327 A328 G329	I321-V325 HydrophobicContact CG2-CG2 4.17Å; I321-V325 WeakPolarHBondContact O-CB 3.19Å; I321-V325 VanDerWaalsContact O-CG2 3.28Å; I321-V325 WeakPolarHBondContact O-CG2 3.18Å; I321-V325 PolarHBondContact O-N 2.87Å; Q322-V325 PolarHBondContact O-N 3.46Å; V325-R327 VanDerWaalsContact C-N 3.33Å; V325-R327 PolarHBondContact O-N 2.85Å; V325-A328 PolarHBondContact O-N 2.89Å; V325-G329 PolarHBondContact O-N 3.37Å
326	A	90.9	Very high	92.1	Very high	51 Å²	51	68 Å²	68	42%	0.421	34%	0.34	S	S	.	.	H	α-helix	trans	-62	-40.5	176	0	0	0	0	0	112.1	Q322 D323 A324 G329 Q330	Q322-A326 WeakPolarHBondContact O-CB 3.31Å; Q322-A326 PolarHBondContact O-N 2.87Å; D323-A326 PolarHBondContact O-N 3.46Å; A324-A326 VanDerWaalsContact C-N 3.34Å; A326-G329 PolarHBondContact O-N 2.98Å; A326-Q330 PolarHBondContact O-N 3.42Å
327	R	92.3	Very high	92.4	Very high	114 Å²	114	66.1 Å²	66.1	43%	0.43	35%	0.351	S	S	.	.	H	α-helix	trans	-63.6	-46.9	173.3	-71.3	-170.6	-61.1	-86.4	7.5	112	D323 A324 V325 G329 Q330 V331	D323-R327 WeakPolarHBondContact O-CG 3.46Å; D323-R327 PolarHBondContact O-N 2.92Å; D323-R327 VanDerWaalsContact O-N 3.09Å; D323-R327 PolarHBondContact O-NH1 2.67Å; A324-R327 PolarHBondContact O-N 3.45Å; V325-R327 VanDerWaalsContact C-N 3.33Å; V325-R327 PolarHBondContact O-N 2.85Å; R327-G329 VanDerWaalsContact C-N 3.31Å; R327-G329 PolarHBondContact O-N 3.3Å; R327-Q330 WeakPolarHBondContact O-CB 3.42Å; R327-Q330 PolarHBondContact O-N 2.9Å; R327-Q330 VanDerWaalsContact O-N 3.1Å; R327-V331 PolarHBondContact O-N 2.87Å
328	A	94.8	Very high	92.7	Very high	5 Å²	5	67.2 Å²	67.2	4%	0.041	36%	0.362	C	S	.	.	H	α-helix	trans	-60.4	-41.8	175.8	0	0	0	0	0	111.7	A324 V325 Q330 V331 V332 Y355 A358	A324-A328 PolarHBondContact O-N 2.77Å; V325-A328 PolarHBondContact O-N 2.89Å; A328-Q330 VanDerWaalsContact C-N 3.29Å; A328-Q330 PolarHBondContact O-N 3.28Å; A328-V331 PolarHBondContact O-N 3.47Å; A328-V332 PolarHBondContact O-N 3.34Å; A328-Y355 HydrophobicContact CB-CE2 4.09Å; A328-A358 HydrophobicContact CB-CB 4.01Å
329	G	94.4	Very high	93.1	Very high	27 Å²	27	68 Å²	68	28%	0.278	37%	0.366	S	S	.	.	H	α-helix	trans	-68	-24.9	175.2	0	0	0	0	0	113.9	V325 A326 R327 R333	V325-G329 PolarHBondContact O-N 3.37Å; A326-G329 PolarHBondContact O-N 2.98Å; R327-G329 VanDerWaalsContact C-N 3.31Å; R327-G329 PolarHBondContact O-N 3.3Å; G329-R333 WeakPolarHBondContact O-CG 3.48Å; G329-R333 PolarHBondContact O-N 3.45Å; G329-R333 PolarHBondContact O-NE 3.39Å
330	Q	94.2	Very high	93.5	Very high	90 Å²	90	68.1 Å²	68.1	42%	0.421	37%	0.374	S	S	.	.	H	α-helix	trans	-68.6	-44.5	172.7	179.8	176.4	-12.4	0	0	111.2	A326 R327 A328 V332 R333 E334	A326-Q330 PolarHBondContact O-N 3.42Å; R327-Q330 WeakPolarHBondContact O-CB 3.42Å; R327-Q330 PolarHBondContact O-N 2.9Å; R327-Q330 VanDerWaalsContact O-N 3.1Å; A328-Q330 VanDerWaalsContact C-N 3.29Å; A328-Q330 PolarHBondContact O-N 3.28Å; Q330-V332 VanDerWaalsContact C-N 3.26Å; Q330-V332 PolarHBondContact O-N 2.86Å; Q330-R333 PolarHBondContact O-N 2.88Å; Q330-R333 VanDerWaalsContact O-N 3.1Å; Q330-E334 HydrophobicContact CG-CG 4.42Å; Q330-E334 VanDerWaalsContact CG-OE1 3.26Å; Q330-E334 WeakPolarHBondContact CG-OE1 3.41Å; Q330-E334 PolarHBondContact NE2-OE1 3.02Å; Q330-E334 WeakPolarHBondContact O-CG 3.38Å; Q330-E334 PolarHBondContact O-N 2.93Å
331	V	95.2	Very high	93.7	Very high	20 Å²	20	69 Å²	69	12%	0.121	38%	0.384	C	S	.	.	H	α-helix	trans	-55.1	-44.7	174.7	175.6	0	0	0	0	110.8	R327 A328 E334 A335 Y355	R327-V331 PolarHBondContact O-N 2.87Å; A328-V331 PolarHBondContact O-N 3.47Å; V331-E334 PolarHBondContact O-N 2.85Å; V331-A335 WeakPolarHBondContact O-CB 3.26Å; V331-A335 PolarHBondContact O-N 2.94Å; V331-Y355 HydrophobicContact CG1-CD2 4.49Å
332	V	96.3	Very high	94	Very high	61 Å²	61	69.6 Å²	69.6	37%	0.37	39%	0.387	S	S	.	.	H	α-helix	trans	-63.2	-45.5	176.7	176.9	0	0	0	0	111.6	A328 Q330 E334 A335 V336 Y355	A328-V332 PolarHBondContact O-N 3.34Å; Q330-V332 VanDerWaalsContact C-N 3.26Å; Q330-V332 PolarHBondContact O-N 2.86Å; V332-E334 VanDerWaalsContact C-N 3.31Å; V332-E334 PolarHBondContact O-N 2.89Å; V332-A335 PolarHBondContact O-N 3.22Å; V332-V336 HydrophobicContact CG1-CG2 4.03Å; V332-V336 VanDerWaalsContact O-CB 3.3Å; V332-V336 WeakPolarHBondContact O-CB 3.34Å; V332-V336 VanDerWaalsContact O-CG2 3.28Å; V332-V336 WeakPolarHBondContact O-CG2 3.47Å; V332-V336 PolarHBondContact O-N 3.4Å; V332-Y355 HydrophobicContact CG2-CD2 3.86Å; V332-Y355 HydrophobicContact CG2-CE2 3.53Å
333	R	93.3	Very high	94.4	Very high	163 Å²	163	72.3 Å²	72.3	62%	0.615	39%	0.392	S	S	*	.	H	α-helix	trans	-60.7	-41.1	178.6	-83.2	-179.5	-80.2	127.3	-5.9	112.1	G329 Q330 G337	G329-R333 WeakPolarHBondContact O-CG 3.48Å; G329-R333 PolarHBondContact O-N 3.45Å; G329-R333 PolarHBondContact O-NE 3.39Å; Q330-R333 PolarHBondContact O-N 2.88Å; Q330-R333 VanDerWaalsContact O-N 3.1Å; R333-G337 WeakPolarHBondContact O-CA 3.22Å; R333-G337 PolarHBondContact O-N 2.91Å
334	E	94.1	Very high	94.6	Very high	97 Å²	97	72.3 Å²	72.3	45%	0.453	40%	0.399	S	S	.	.	H	α-helix	trans	-68.3	-47.6	177.5	-71.4	172.6	-168	0	0	111.6	Q330 V331 V332 G338 R354	Q330-E334 HydrophobicContact CG-CG 4.42Å; Q330-E334 VanDerWaalsContact CG-OE1 3.26Å; Q330-E334 WeakPolarHBondContact CG-OE1 3.41Å; Q330-E334 PolarHBondContact NE2-OE1 3.02Å; Q330-E334 WeakPolarHBondContact O-CG 3.38Å; Q330-E334 PolarHBondContact O-N 2.93Å; V331-E334 PolarHBondContact O-N 2.85Å; V332-E334 VanDerWaalsContact C-N 3.31Å; V332-E334 PolarHBondContact O-N 2.89Å; E334-G338 PolarHBondContact O-N 3.28Å; E334-R354 IonicContact OE2-NH2 3.46Å
335	A	94.3	Very high	94.7	Very high	19 Å²	19	80.1 Å²	80.1	16%	0.157	43%	0.433	C	S	.	.	H	α-helix	trans	-66.7	-41.1	-179.5	0	0	0	0	0	112.7	V331 V332 G338 L339 E351	V331-A335 WeakPolarHBondContact O-CB 3.26Å; V331-A335 PolarHBondContact O-N 2.94Å; V332-A335 PolarHBondContact O-N 3.22Å; A335-G338 CarbonylContact O-C 3.59Å; A335-L339 VanDerWaalsContact O-CA 3.25Å; A335-L339 WeakPolarHBondContact O-CA 3.38Å; A335-L339 PolarHBondContact O-N 3.13Å; A335-E351 HydrophobicContact CB-CG 4.43Å
336	V	94.3	Very high	94.8	Very high	98 Å²	98	79.4 Å²	79.4	59%	0.594	44%	0.44	S	S	*	.	H	α-helix	trans	-74.1	-41.5	177.5	175.2	0	0	0	0	111.2	V332 G338 L339	V332-V336 HydrophobicContact CG1-CG2 4.03Å; V332-V336 VanDerWaalsContact O-CB 3.3Å; V332-V336 WeakPolarHBondContact O-CB 3.34Å; V332-V336 VanDerWaalsContact O-CG2 3.28Å; V332-V336 WeakPolarHBondContact O-CG2 3.47Å; V332-V336 PolarHBondContact O-N 3.4Å; V336-G338 VanDerWaalsContact C-N 3.26Å; V336-G338 PolarHBondContact O-N 3.03Å; V336-L339 WeakPolarHBondContact O-CB 3.28Å; V336-L339 PolarHBondContact O-N 2.88Å
337	G	92.9	Very high	95.1	Very high	72 Å²	72	78.4 Å²	78.4	74%	0.742	43%	0.431	S	S	*	.	H	α-helix	trans	-63.2	-34.5	175.5	0	0	0	0	0	112.5	R333	R333-G337 WeakPolarHBondContact O-CA 3.22Å; R333-G337 PolarHBondContact O-N 2.91Å
338	G	94.3	Very high	95.3	Very high	23 Å²	23	77 Å²	77	24%	0.237	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	24.2	176	0	0	0	0	0	114.2	E334 A335 V336 Q340 T341 V342	E334-G338 PolarHBondContact O-N 3.28Å; A335-G338 CarbonylContact O-C 3.59Å; V336-G338 VanDerWaalsContact C-N 3.26Å; V336-G338 PolarHBondContact O-N 3.03Å; G338-Q340 PolarHBondContact O-N 3.27Å; G338-Q340 VanDerWaalsContact O-N 3.13Å; G338-T341 WeakPolarHBondContact O-CA 3.37Å; G338-T341 VanDerWaalsContact O-CB 3.28Å; G338-T341 WeakPolarHBondContact O-CB 3.28Å; G338-T341 PolarHBondContact O-N 3.48Å; G338-V342 PolarHBondContact O-N 3.38Å
339	L	95.2	Very high	95.4	Very high	80 Å²	80	84.1 Å²	84.1	42%	0.419	46%	0.462	S	S	.	.	H	α-helix	trans	-57.8	-35.4	-170.3	-175.9	64.3	0	0	0	113	A335 V336 T341 V342 R343	A335-L339 VanDerWaalsContact O-CA 3.25Å; A335-L339 WeakPolarHBondContact O-CA 3.38Å; A335-L339 PolarHBondContact O-N 3.13Å; V336-L339 WeakPolarHBondContact O-CB 3.28Å; V336-L339 PolarHBondContact O-N 2.88Å; L339-T341 VanDerWaalsContact C-N 3.31Å; L339-T341 PolarHBondContact O-N 3.18Å; L339-V342 PolarHBondContact O-N 3.04Å; L339-R343 HydrophobicContact CD1-CG 4.47Å; L339-R343 WeakPolarHBondContact O-CB 3.3Å; L339-R343 WeakPolarHBondContact O-CG 3.36Å; L339-R343 PolarHBondContact O-N 2.93Å
340	Q	95.1	Very high	95.5	Very high	170 Å²	170	88.7 Å²	88.7	79%	0.794	48%	0.476	S	S	*	.	H	α-helix	trans	-61.6	-40.9	174.6	-173.7	176.8	3.9	0	0	111.6	G338 S344	G338-Q340 PolarHBondContact O-N 3.27Å; G338-Q340 VanDerWaalsContact O-N 3.13Å; Q340-S344 VanDerWaalsContact O-CB 3.28Å; Q340-S344 WeakPolarHBondContact O-CB 3.46Å; Q340-S344 PolarHBondContact O-N 3.47Å; Q340-S344 PolarHBondContact O-OG 2.94Å
341	T	97	Very high	95.6	Very high	81 Å²	81	85.9 Å²	85.9	50%	0.497	46%	0.462	S	S	.	.	H	α-helix	trans	-67.6	-47	175.7	-52.8	0	0	0	0	111.1	G338 L339 R343 S344 F345	G338-T341 WeakPolarHBondContact O-CA 3.37Å; G338-T341 VanDerWaalsContact O-CB 3.28Å; G338-T341 WeakPolarHBondContact O-CB 3.28Å; G338-T341 PolarHBondContact O-N 3.48Å; L339-T341 VanDerWaalsContact C-N 3.31Å; L339-T341 PolarHBondContact O-N 3.18Å; T341-R343 VanDerWaalsContact C-N 3.27Å; T341-R343 PolarHBondContact O-N 3.49Å; T341-S344 WeakPolarHBondContact CA-OG 3.25Å; T341-S344 PolarHBondContact O-N 3.5Å; T341-S344 PolarHBondContact O-OG 3.14Å; T341-F345 HydrophobicContact CG2-CD2 3.73Å; T341-F345 HydrophobicContact CG2-CE2 3.87Å; T341-F345 VanDerWaalsContact O-CD2 3.29Å; T341-F345 WeakPolarHBondContact O-CD2 3.47Å; T341-F345 PolarHBondContact O-N 3.37Å
342	V	97.4	Very high	95.7	Very high	17 Å²	17	89 Å²	89	10%	0.103	48%	0.482	C	S	.	.	H	α-helix	trans	-56.4	-45.9	178.3	177.8	0	0	0	0	110.5	G338 L339 G346 A347 E348 E351	G338-V342 PolarHBondContact O-N 3.38Å; L339-V342 PolarHBondContact O-N 3.04Å; V342-G346 PolarHBondContact O-N 3.2Å; V342-G346 VanDerWaalsContact O-N 3.1Å; V342-A347 HydrophobicContact CG1-CB 4.49Å; V342-A347 PolarHBondContact O-N 3.04Å; V342-E348 HydrophobicContact CG1-CG 4.22Å; V342-E351 HydrophobicContact CG1-CG 4.07Å; V342-E351 HydrophobicContact CG2-CG 4.14Å
343	R	96.1	Very high	95.7	Very high	176 Å²	176	89.1 Å²	89.1	66%	0.664	48%	0.484	S	S	*	.	H	α-helix	trans	-69.4	-38.4	177.1	-73.1	-170.6	174.2	-168.1	-0.7	113.5	L339 T341 F345 G346	L339-R343 HydrophobicContact CD1-CG 4.47Å; L339-R343 WeakPolarHBondContact O-CB 3.3Å; L339-R343 WeakPolarHBondContact O-CG 3.36Å; L339-R343 PolarHBondContact O-N 2.93Å; T341-R343 VanDerWaalsContact C-N 3.27Å; T341-R343 PolarHBondContact O-N 3.49Å; R343-F345 PolarHBondContact O-N 2.93Å; R343-G346 PolarHBondContact O-N 3.46Å
344	S	96.9	Very high	95.8	Very high	84 Å²	84	85 Å²	85	59%	0.587	47%	0.468	S	S	*	.	H	α-helix	trans	-66.5	-27.6	179.9	67.4	0	0	0	0	112.6	Q340 T341	Q340-S344 VanDerWaalsContact O-CB 3.28Å; Q340-S344 WeakPolarHBondContact O-CB 3.46Å; Q340-S344 PolarHBondContact O-N 3.47Å; Q340-S344 PolarHBondContact O-OG 2.94Å; T341-S344 WeakPolarHBondContact CA-OG 3.25Å; T341-S344 PolarHBondContact O-N 3.5Å; T341-S344 PolarHBondContact O-OG 3.14Å
345	F	96.4	Very high	96	Very high	166 Å²	166	84.7 Å²	84.7	73%	0.728	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-1.6	177.7	-74.3	-84.5	0	0	0	113.8	T341 R343 A347	T341-F345 HydrophobicContact CG2-CD2 3.73Å; T341-F345 HydrophobicContact CG2-CE2 3.87Å; T341-F345 VanDerWaalsContact O-CD2 3.29Å; T341-F345 WeakPolarHBondContact O-CD2 3.47Å; T341-F345 PolarHBondContact O-N 3.37Å; R343-F345 PolarHBondContact O-N 2.93Å; F345-A347 VanDerWaalsContact C-N 3.26Å; F345-A347 HydrophobicContact CB-CB 4.48Å; F345-A347 PolarHBondContact O-N 2.97Å
346	G	96.1	Very high	96.1	Very high	54 Å²	54	90.8 Å²	90.8	56%	0.557	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	35.3	-177.7	0	0	0	0	0	113.6	V342 R343 E348	V342-G346 PolarHBondContact O-N 3.2Å; V342-G346 VanDerWaalsContact O-N 3.1Å; R343-G346 PolarHBondContact O-N 3.46Å; G346-E348 VanDerWaalsContact CA-OE2 3.26Å; G346-E348 WeakPolarHBondContact CA-OE2 3.09Å
347	A	96.4	Very high	96.2	Very high	29 Å²	29	91.9 Å²	91.9	24%	0.24	49%	0.486	C	S	.	.			trans	-96	17.8	-170.7	0	0	0	0	0	113.7	V342 F345 E349 H350 E351	V342-A347 HydrophobicContact CG1-CB 4.49Å; V342-A347 PolarHBondContact O-N 3.04Å; F345-A347 VanDerWaalsContact C-N 3.26Å; F345-A347 HydrophobicContact CB-CB 4.48Å; F345-A347 PolarHBondContact O-N 2.97Å; A347-E349 PolarHBondContact O-N 2.94Å; A347-H350 WeakPolarHBondContact O-CB 3.23Å; A347-H350 PolarHBondContact O-N 2.93Å; A347-E351 PolarHBondContact O-N 2.74Å; A347-E351 VanDerWaalsContact O-N 3.11Å
348	E	96.7	Very high	96.2	Very high	86 Å²	86	89.1 Å²	89.1	40%	0.402	46%	0.455	S	S	.	.	H	α-helix	trans	-58.3	-47	-174.1	-65.2	87.4	166.8	0	0	112.5	V342 G346 H350 E351 V352	V342-E348 HydrophobicContact CG1-CG 4.22Å; G346-E348 VanDerWaalsContact CA-OE2 3.26Å; G346-E348 WeakPolarHBondContact CA-OE2 3.09Å; E348-H350 VanDerWaalsContact C-N 3.29Å; E348-H350 PolarHBondContact O-N 2.91Å; E348-E351 PolarHBondContact O-N 2.84Å; E348-V352 WeakPolarHBondContact O-CG2 3.48Å; E348-V352 PolarHBondContact O-N 3.5Å
349	E	96.9	Very high	96.3	Very high	153 Å²	153	91.6 Å²	91.6	72%	0.715	46%	0.463	S	S	*	.	H	α-helix	trans	-63.5	-34.7	179.1	-72.2	-63.4	156.6	0	0	112.5	A347 V352 C353	A347-E349 PolarHBondContact O-N 2.94Å; E349-V352 PolarHBondContact O-N 3.4Å; E349-C353 WeakPolarHBondContact O-CB 3.35Å; E349-C353 PolarHBondContact O-N 3.5Å
350	H	96	Very high	96.4	Very high	123 Å²	123	91.6 Å²	91.6	57%	0.569	46%	0.461	S	S	*	.	H	α-helix	trans	-66.3	-45.1	176.9	-177.1	74.2	0	0	0	111.3	A347 E348 V352 C353 R354	A347-H350 WeakPolarHBondContact O-CB 3.23Å; A347-H350 PolarHBondContact O-N 2.93Å; E348-H350 VanDerWaalsContact C-N 3.29Å; E348-H350 PolarHBondContact O-N 2.91Å; H350-V352 VanDerWaalsContact C-N 3.34Å; H350-C353 PolarHBondContact O-N 3.21Å; H350-R354 PolarHBondContact O-N 3.12Å
351	E	96.6	Very high	96.3	Very high	31 Å²	31	88.2 Å²	88.2	15%	0.145	45%	0.445	C	S	.	.	H	α-helix	trans	-65.3	-37.3	176.8	-70.7	-62.5	151.5	0	0	112	A335 V342 A347 E348 R354 Y355	A335-E351 HydrophobicContact CB-CG 4.43Å; V342-E351 HydrophobicContact CG1-CG 4.07Å; V342-E351 HydrophobicContact CG2-CG 4.14Å; A347-E351 PolarHBondContact O-N 2.74Å; A347-E351 VanDerWaalsContact O-N 3.11Å; E348-E351 PolarHBondContact O-N 2.84Å; E351-R354 PolarHBondContact O-N 3.32Å; E351-R354 IonicContact OE1-CZ 2.6Å; E351-R354 VanDerWaalsContact OE1-CZ 3.24Å; E351-R354 IonicContact OE1-NH1 2.69Å; E351-R354 PolarHBondContact OE1-NH1 3.44Å; E351-R354 IonicContact OE1-NH2 3.65Å; E351-R354 PolarHBondContact OE1-NH2 2.92Å; E351-R354 IonicContact OE2-CZ 2.61Å; E351-R354 IonicContact OE2-NE 3.04Å; E351-R354 IonicContact OE2-NH1 3.61Å; E351-R354 PolarHBondContact OE2-NH1 3.16Å; E351-R354 IonicContact OE2-NH2 3.22Å; E351-R354 PolarHBondContact OE2-NH2 3.43Å; E351-Y355 WeakPolarHBondContact O-CB 3.31Å; E351-Y355 PolarHBondContact O-N 2.67Å
352	V	96.7	Very high	96.2	Very high	87 Å²	87	84.6 Å²	84.6	53%	0.527	42%	0.423	S	S	.	.	H	α-helix	trans	-62.4	-44.1	172.6	170.9	0	0	0	0	111.3	E348 E349 H350 Y355 K356	E348-V352 WeakPolarHBondContact O-CG2 3.48Å; E348-V352 PolarHBondContact O-N 3.5Å; E349-V352 PolarHBondContact O-N 3.4Å; H350-V352 VanDerWaalsContact C-N 3.34Å; V352-Y355 PolarHBondContact O-N 2.58Å; V352-K356 WeakPolarHBondContact O-CB 3.33Å; V352-K356 PolarHBondContact O-N 3.27Å
353	C	97.1	Very high	96.1	Very high	62 Å²	62	91.7 Å²	91.7	42%	0.419	45%	0.448	S	S	.	.	H	α-helix	trans	-62.1	-46	177.1	-166.8	0	0	0	0	111.5	E349 H350 Y355 K356 E357	E349-C353 WeakPolarHBondContact O-CB 3.35Å; E349-C353 PolarHBondContact O-N 3.5Å; H350-C353 PolarHBondContact O-N 3.21Å; C353-Y355 VanDerWaalsContact C-N 3.31Å; C353-Y355 PolarHBondContact O-N 2.74Å; C353-K356 WeakPolarHBondContact O-CB 3.47Å; C353-K356 PolarHBondContact O-N 3Å; C353-K356 VanDerWaalsContact O-N 3.11Å; C353-E357 WeakPolarHBondContact O-CG 3.14Å; C353-E357 PolarHBondContact O-N 2.86Å
354	R	95.9	Very high	96.1	Very high	76 Å²	76	89.4 Å²	89.4	29%	0.287	45%	0.445	S	S	.	.	H	α-helix	trans	-60.5	-40.1	177.4	-160.3	173.8	77.1	-159.6	4.6	112.1	E334 H350 E351 A358	E334-R354 IonicContact OE2-NH2 3.46Å; H350-R354 PolarHBondContact O-N 3.12Å; E351-R354 PolarHBondContact O-N 3.32Å; E351-R354 IonicContact OE1-CZ 2.6Å; E351-R354 VanDerWaalsContact OE1-CZ 3.24Å; E351-R354 IonicContact OE1-NH1 2.69Å; E351-R354 PolarHBondContact OE1-NH1 3.44Å; E351-R354 IonicContact OE1-NH2 3.65Å; E351-R354 PolarHBondContact OE1-NH2 2.92Å; E351-R354 IonicContact OE2-CZ 2.61Å; E351-R354 IonicContact OE2-NE 3.04Å; E351-R354 IonicContact OE2-NH1 3.61Å; E351-R354 PolarHBondContact OE2-NH1 3.16Å; E351-R354 IonicContact OE2-NH2 3.22Å; E351-R354 PolarHBondContact OE2-NH2 3.43Å; R354-A358 PolarHBondContact O-N 3.29Å
355	Y	96.8	Very high	95.9	Very high	92 Å²	92	86.8 Å²	86.8	36%	0.361	42%	0.424	S	S	.	.	H	α-helix	trans	-67.2	-40.2	174.4	-175.6	-117.3	0	0	0	112.3	A328 V331 V332 E351 V352 C353 E357 A358 L359	A328-Y355 HydrophobicContact CB-CE2 4.09Å; V331-Y355 HydrophobicContact CG1-CD2 4.49Å; V332-Y355 HydrophobicContact CG2-CD2 3.86Å; V332-Y355 HydrophobicContact CG2-CE2 3.53Å; E351-Y355 WeakPolarHBondContact O-CB 3.31Å; E351-Y355 PolarHBondContact O-N 2.67Å; V352-Y355 PolarHBondContact O-N 2.58Å; C353-Y355 VanDerWaalsContact C-N 3.31Å; C353-Y355 PolarHBondContact O-N 2.74Å; Y355-E357 PolarHBondContact O-N 3.36Å; Y355-A358 PolarHBondContact O-N 3.16Å; Y355-L359 HydrophobicContact CD1-CD1 3.81Å; Y355-L359 HydrophobicContact CD1-CG 4.33Å; Y355-L359 HydrophobicContact CE1-CD1 3.4Å; Y355-L359 VanDerWaalsContact CE1-CD1 3.4Å; Y355-L359 HydrophobicContact CE1-CD2 4.47Å; Y355-L359 HydrophobicContact CE1-CG 3.99Å; Y355-L359 HydrophobicContact CE2-CD2 4.49Å; Y355-L359 HydrophobicContact CE2-CG 4.33Å; Y355-L359 WeakPolarHBondContact O-CG 3.22Å; Y355-L359 PolarHBondContact O-N 2.97Å
356	K	97.3	Very high	95.9	Very high	147 Å²	147	82.9 Å²	82.9	64%	0.639	41%	0.405	S	S	*	.	H	α-helix	trans	-62	-41.5	176.8	-173.4	-179.3	177.9	-177.4	0	112.4	V352 C353 L359 E360	V352-K356 WeakPolarHBondContact O-CB 3.33Å; V352-K356 PolarHBondContact O-N 3.27Å; C353-K356 WeakPolarHBondContact O-CB 3.47Å; C353-K356 PolarHBondContact O-N 3Å; C353-K356 VanDerWaalsContact O-N 3.11Å; K356-L359 PolarHBondContact O-N 2.99Å; K356-E360 PolarHBondContact O-N 3.36Å
357	E	96	Very high	95.9	Very high	121 Å²	121	89.3 Å²	89.3	57%	0.565	41%	0.413	S	S	*	.	H	α-helix	trans	-61.9	-43.3	175.2	-71.5	173.5	-168.5	0	0	112	C353 Y355 L359 E360 Q361	C353-E357 WeakPolarHBondContact O-CG 3.14Å; C353-E357 PolarHBondContact O-N 2.86Å; Y355-E357 PolarHBondContact O-N 3.36Å; E357-L359 VanDerWaalsContact C-N 3.31Å; E357-L359 PolarHBondContact O-N 3.27Å; E357-E360 PolarHBondContact O-N 3.48Å; E357-Q361 PolarHBondContact O-N 3.07Å
358	A	94.2	Very high	95.7	Very high	13 Å²	13	93.2 Å²	93.2	11%	0.107	42%	0.421	C	S	.	.	H	α-helix	trans	-63.3	-37.5	174.9	0	0	0	0	0	112.2	A328 R354 Y355 C362	A328-A358 HydrophobicContact CB-CB 4.01Å; R354-A358 PolarHBondContact O-N 3.29Å; Y355-A358 PolarHBondContact O-N 3.16Å; A358-C362 PolarHBondContact O-N 2.97Å; A358-C362 PolarHBondContact O-SG 2.87Å; A358-C362 VanDerWaalsContact O-SG 3.32Å
359	L	96.3	Very high	95.6	Very high	75 Å²	75	91.8 Å²	91.8	39%	0.393	41%	0.412	S	S	.	.	H	α-helix	trans	-68.4	-35.2	175.4	-76.7	179	0	0	0	113.2	Y355 K356 E357 Q361 C362 R363	Y355-L359 HydrophobicContact CD1-CD1 3.81Å; Y355-L359 HydrophobicContact CD1-CG 4.33Å; Y355-L359 HydrophobicContact CE1-CD1 3.4Å; Y355-L359 VanDerWaalsContact CE1-CD1 3.4Å; Y355-L359 HydrophobicContact CE1-CD2 4.47Å; Y355-L359 HydrophobicContact CE1-CG 3.99Å; Y355-L359 HydrophobicContact CE2-CD2 4.49Å; Y355-L359 HydrophobicContact CE2-CG 4.33Å; Y355-L359 WeakPolarHBondContact O-CG 3.22Å; Y355-L359 PolarHBondContact O-N 2.97Å; K356-L359 PolarHBondContact O-N 2.99Å; E357-L359 VanDerWaalsContact C-N 3.31Å; E357-L359 PolarHBondContact O-N 3.27Å; L359-Q361 VanDerWaalsContact C-N 3.3Å; L359-Q361 PolarHBondContact O-N 2.95Å; L359-C362 WeakPolarHBondContact O-CB 3.27Å; L359-C362 PolarHBondContact O-N 3.3Å; L359-C362 VanDerWaalsContact O-N 3.13Å; L359-R363 WeakPolarHBondContact O-CB 3.33Å; L359-R363 PolarHBondContact O-N 3.42Å
360	E	96.3	Very high	95.4	Very high	81 Å²	81	87.7 Å²	87.7	38%	0.379	40%	0.395	S	S	.	.	H	α-helix	trans	-65.3	-36.7	178.9	-168.5	58.7	-144.4	0	0	111.2	K356 E357 R363 Q364	K356-E360 PolarHBondContact O-N 3.36Å; E357-E360 PolarHBondContact O-N 3.48Å; E360-R363 WeakPolarHBondContact O-CB 3.03Å; E360-R363 PolarHBondContact O-N 3.43Å; E360-R363 IonicContact OE1-NH1 3.83Å; E360-R363 IonicContact OE2-NH1 3.58Å; E360-Q364 WeakPolarHBondContact O-CG 3.36Å; E360-Q364 PolarHBondContact O-N 3.47Å; E360-Q364 VanDerWaalsContact O-N 3.09Å
361	Q	92.8	Very high	95.3	Very high	98 Å²	98	86.6 Å²	86.6	46%	0.458	39%	0.393	S	S	.	.	H	α-helix	trans	-61.3	-44	170.5	-64.1	-179.4	8.5	0	0	111.7	E357 L359 R363 Q364 L365	E357-Q361 PolarHBondContact O-N 3.07Å; L359-Q361 VanDerWaalsContact C-N 3.3Å; L359-Q361 PolarHBondContact O-N 2.95Å; Q361-R363 VanDerWaalsContact C-N 3.3Å; Q361-R363 PolarHBondContact O-N 2.86Å; Q361-Q364 PolarHBondContact O-N 3.31Å; Q361-L365 PolarHBondContact O-N 3.23Å
362	C	94.7	Very high	95	Very high	6 Å²	6	87 Å²	87	4%	0.041	40%	0.395	C	S	.	.	H	α-helix	trans	-59.9	-44.1	175.6	-63.2	0	0	0	0	110.9	A324 A358 L359 Q364 L365 Y366	A324-C362 VanDerWaalsContact C-SG 3.58Å; A358-C362 PolarHBondContact O-N 2.97Å; A358-C362 PolarHBondContact O-SG 2.87Å; A358-C362 VanDerWaalsContact O-SG 3.32Å; L359-C362 WeakPolarHBondContact O-CB 3.27Å; L359-C362 PolarHBondContact O-N 3.3Å; L359-C362 VanDerWaalsContact O-N 3.13Å; C362-Q364 PolarHBondContact O-N 3.1Å; C362-L365 PolarHBondContact O-N 3.06Å; C362-Y366 HydrophobicContact CB-CD2 4.34Å; C362-Y366 HydrophobicContact CB-CE2 4.24Å; C362-Y366 WeakPolarHBondContact O-CD2 3.43Å; C362-Y366 PolarHBondContact O-N 2.93Å
363	R	96.3	Very high	94.8	Very high	165 Å²	165	89.1 Å²	89.1	62%	0.623	39%	0.393	S	S	*	.	H	α-helix	trans	-59	-45.1	-179.2	-175.3	-174.7	-179.8	-176.5	1	112.2	L359 E360 Q361 L365 Y366 W367	L359-R363 WeakPolarHBondContact O-CB 3.33Å; L359-R363 PolarHBondContact O-N 3.42Å; E360-R363 WeakPolarHBondContact O-CB 3.03Å; E360-R363 PolarHBondContact O-N 3.43Å; E360-R363 IonicContact OE1-NH1 3.83Å; E360-R363 IonicContact OE2-NH1 3.58Å; Q361-R363 VanDerWaalsContact C-N 3.3Å; Q361-R363 PolarHBondContact O-N 2.86Å; R363-L365 VanDerWaalsContact C-N 3.31Å; R363-L365 PolarHBondContact O-N 3.41Å; R363-Y366 PolarHBondContact O-N 3.4Å; R363-W367 PolarHBondContact O-N 3.48Å
364	Q	95.2	Very high	94.6	Very high	129 Å²	129	88.8 Å²	88.8	60%	0.603	40%	0.395	S	S	*	.	H	α-helix	trans	-60.6	-41.8	178.4	-70.2	176.7	4.9	0	0	111.9	E360 Q361 C362 W367 R368	E360-Q364 WeakPolarHBondContact O-CG 3.36Å; E360-Q364 PolarHBondContact O-N 3.47Å; E360-Q364 VanDerWaalsContact O-N 3.09Å; Q361-Q364 PolarHBondContact O-N 3.31Å; C362-Q364 PolarHBondContact O-N 3.1Å; Q364-W367 PolarHBondContact O-N 3.18Å; Q364-R368 PolarHBondContact O-N 3.31Å
365	L	94.3	Very high	94.4	Very high	28 Å²	28	90.2 Å²	90.2	15%	0.147	41%	0.408	C	S	.	.	H	α-helix	trans	-68.1	-41.6	177.2	-65.1	172.5	0	0	0	112.2	E320 I321 A324 Q361 C362 R363 W367 R368 R369	E320-L365 HydrophobicContact CB-CD1 4.06Å; E320-L365 HydrophobicContact CB-CD2 4.11Å; E320-L365 WeakPolarHBondContact OE2-CD2 3.04Å; I321-L365 HydrophobicContact CD1-CB 4.4Å; I321-L365 HydrophobicContact CG1-CB 3.61Å; I321-L365 HydrophobicContact CG1-CD1 4.38Å; A324-L365 HydrophobicContact CB-CD1 3.75Å; Q361-L365 PolarHBondContact O-N 3.23Å; C362-L365 PolarHBondContact O-N 3.06Å; R363-L365 VanDerWaalsContact C-N 3.31Å; R363-L365 PolarHBondContact O-N 3.41Å; L365-W367 VanDerWaalsContact C-N 3.34Å; L365-W367 PolarHBondContact O-N 2.93Å; L365-R368 PolarHBondContact O-N 3.4Å; L365-R369 WeakPolarHBondContact O-CB 3.32Å; L365-R369 PolarHBondContact O-N 2.91Å
366	Y	94.9	Very high	94.1	Very high	85 Å²	85	87.5 Å²	87.5	33%	0.333	40%	0.397	S	S	.	.	H	α-helix	trans	-59.7	-44.8	173.5	-81.2	-62	0	0	0	111.7	I321 C362 R363 R368 R369 D370	I321-Y366 HydrophobicContact CD1-CD1 4.11Å; I321-Y366 HydrophobicContact CD1-CE1 4.25Å; I321-Y366 HydrophobicContact CG2-CE1 3.93Å; I321-Y366 HydrophobicContact CG2-CE2 4.27Å; C362-Y366 HydrophobicContact CB-CD2 4.34Å; C362-Y366 HydrophobicContact CB-CE2 4.24Å; C362-Y366 WeakPolarHBondContact O-CD2 3.43Å; C362-Y366 PolarHBondContact O-N 2.93Å; R363-Y366 PolarHBondContact O-N 3.4Å; Y366-R368 PolarHBondContact O-N 2.86Å; Y366-R369 WeakPolarHBondContact O-CB 2.91Å; Y366-R369 PolarHBondContact O-N 3.1Å; Y366-D370 WeakPolarHBondContact O-CB 3.25Å; Y366-D370 PolarHBondContact O-N 3.05Å
367	W	95.8	Very high	93.7	Very high	188 Å²	188	83.6 Å²	83.6	71%	0.712	38%	0.383	S	S	*	.	H	α-helix	trans	-60.6	-45.4	177.4	-173.6	-97.5	0	0	0	112	R363 Q364 L365 D370 L371	R363-W367 PolarHBondContact O-N 3.48Å; Q364-W367 PolarHBondContact O-N 3.18Å; L365-W367 VanDerWaalsContact C-N 3.34Å; L365-W367 PolarHBondContact O-N 2.93Å; W367-D370 PolarHBondContact O-N 2.93Å; W367-L371 VanDerWaalsContact O-CB 3.31Å; W367-L371 WeakPolarHBondContact O-CB 3.4Å; W367-L371 PolarHBondContact O-N 3.34Å
368	R	93.6	Very high	93.5	Very high	111 Å²	111	83 Å²	83	42%	0.419	38%	0.383	S	S	.	.	H	α-helix	trans	-58.9	-49.2	175.5	-178.7	178.9	174.2	-170.6	-0.6	111.5	E320 Q364 L365 Y366 D370 L371 E372	E320-R368 IonicContact OE2-NH1 3.58Å; Q364-R368 PolarHBondContact O-N 3.31Å; L365-R368 PolarHBondContact O-N 3.4Å; Y366-R368 PolarHBondContact O-N 2.86Å; R368-D370 VanDerWaalsContact C-N 3.32Å; R368-D370 PolarHBondContact O-N 2.98Å; R368-L371 PolarHBondContact O-N 3.04Å; R368-E372 WeakPolarHBondContact CG-OE1 3.47Å; R368-E372 IonicContact CZ-OE1 2.67Å; R368-E372 IonicContact NE-OE1 2.84Å; R368-E372 PolarHBondContact NE-OE1 3.28Å; R368-E372 IonicContact NH2-OE1 2.77Å; R368-E372 WeakPolarHBondContact O-CB 3.45Å; R368-E372 VanDerWaalsContact O-CG 3.31Å; R368-E372 WeakPolarHBondContact O-CG 3.39Å; R368-E372 PolarHBondContact O-N 3.48Å
369	R	93.9	Very high	93.2	Very high	57 Å²	57	86 Å²	86	22%	0.215	40%	0.4	C	S	.	.	H	α-helix	trans	-56.3	-46.6	176.7	-176.7	-159.7	70	-176.7	-5	111.6	V317 I321 L365 Y366 R373	V317-R369 HydrophobicContact CG1-CB 3.85Å; V317-R369 HydrophobicContact CG1-CG 4.49Å; I321-R369 HydrophobicContact CD1-CB 4.1Å; I321-R369 HydrophobicContact CD1-CG 4.4Å; L365-R369 WeakPolarHBondContact O-CB 3.32Å; L365-R369 PolarHBondContact O-N 2.91Å; Y366-R369 WeakPolarHBondContact O-CB 2.91Å; Y366-R369 PolarHBondContact O-N 3.1Å; R369-R373 VanDerWaalsContact O-CB 3.28Å; R369-R373 WeakPolarHBondContact O-CB 3.28Å; R369-R373 PolarHBondContact O-N 3.35Å
370	D	93.6	Very high	92.8	Very high	67 Å²	67	87 Å²	87	36%	0.358	40%	0.399	S	S	.	.	H	α-helix	trans	-72.1	-36.3	-174.6	-68.8	-15	0	0	0	111.6	Y366 W367 R368 R373 A374	Y366-D370 WeakPolarHBondContact O-CB 3.25Å; Y366-D370 PolarHBondContact O-N 3.05Å; W367-D370 PolarHBondContact O-N 2.93Å; R368-D370 VanDerWaalsContact C-N 3.32Å; R368-D370 PolarHBondContact O-N 2.98Å; D370-R373 PolarHBondContact O-N 2.94Å; D370-A374 VanDerWaalsContact O-CB 3.27Å; D370-A374 WeakPolarHBondContact O-CB 3.3Å; D370-A374 PolarHBondContact O-N 3.29Å
371	L	93.5	Very high	92.4	Very high	100 Å²	100	91.9 Å²	91.9	52%	0.524	41%	0.414	S	S	.	.	H	α-helix	trans	-67.1	-45.3	173.4	-171.4	140.5	0	0	0	111.8	W367 R368 R373 A374 L375	W367-L371 VanDerWaalsContact O-CB 3.31Å; W367-L371 WeakPolarHBondContact O-CB 3.4Å; W367-L371 PolarHBondContact O-N 3.34Å; R368-L371 PolarHBondContact O-N 3.04Å; L371-R373 VanDerWaalsContact C-N 3.31Å; L371-R373 PolarHBondContact O-N 3.4Å; L371-A374 PolarHBondContact O-N 3.48Å; L371-L375 WeakPolarHBondContact O-CB 3.34Å; L371-L375 PolarHBondContact O-N 3.27Å
372	E	90.2	Very high	92.3	Very high	39 Å²	39	91.7 Å²	91.7	18%	0.182	42%	0.419	C	S	.	.	H	α-helix	trans	-60.6	-41	174.4	-72.4	178.4	-168.6	0	0	111.4	R368 Y376	R368-E372 WeakPolarHBondContact CG-OE1 3.47Å; R368-E372 IonicContact CZ-OE1 2.67Å; R368-E372 IonicContact NE-OE1 2.84Å; R368-E372 PolarHBondContact NE-OE1 3.28Å; R368-E372 IonicContact NH2-OE1 2.77Å; R368-E372 WeakPolarHBondContact O-CB 3.45Å; R368-E372 VanDerWaalsContact O-CG 3.31Å; R368-E372 WeakPolarHBondContact O-CG 3.39Å; R368-E372 PolarHBondContact O-N 3.48Å; E372-Y376 WeakPolarHBondContact O-CB 3.38Å; E372-Y376 PolarHBondContact O-N 3.4Å
373	R	91.5	Very high	91.9	Very high	131 Å²	131	94.2 Å²	94.2	49%	0.494	43%	0.432	S	S	.	.	H	α-helix	trans	-65.4	-44.3	174.6	-178	178.8	-178.8	-170.2	1.6	112.3	Y310 R369 D370 L371 Y376 L377	Y310-R373 HydrophobicContact CE2-CB 4.27Å; Y310-R373 WeakPolarHBondContact OH-CG 3.19Å; R369-R373 VanDerWaalsContact O-CB 3.28Å; R369-R373 WeakPolarHBondContact O-CB 3.28Å; R369-R373 PolarHBondContact O-N 3.35Å; D370-R373 PolarHBondContact O-N 2.94Å; L371-R373 VanDerWaalsContact C-N 3.31Å; L371-R373 PolarHBondContact O-N 3.4Å; R373-Y376 PolarHBondContact O-N 3.44Å; R373-L377 HydrophobicContact CG-CD1 3.89Å; R373-L377 HydrophobicContact CG-CG 4.39Å; R373-L377 WeakPolarHBondContact O-CB 3.36Å; R373-L377 VanDerWaalsContact O-CG 3.28Å; R373-L377 WeakPolarHBondContact O-CG 3.45Å; R373-L377 PolarHBondContact O-N 3.02Å
374	A	93.9	Very high	91.4	Very high	56 Å²	56	89.3 Å²	89.3	46%	0.463	42%	0.416	S	S	.	.	H	α-helix	trans	-62.2	-44.4	179.1	0	0	0	0	0	111	D370 L371 L377 L378	D370-A374 VanDerWaalsContact O-CB 3.27Å; D370-A374 WeakPolarHBondContact O-CB 3.3Å; D370-A374 PolarHBondContact O-N 3.29Å; L371-A374 PolarHBondContact O-N 3.48Å; A374-L377 PolarHBondContact O-N 3.47Å; A374-L378 WeakPolarHBondContact O-CB 3.28Å; A374-L378 PolarHBondContact O-N 3.38Å
375	L	91.9	Very high	91.1	Very high	105 Å²	105	87.3 Å²	87.3	55%	0.55	41%	0.409	S	S	.	.	H	α-helix	trans	-61.6	-46.2	175.3	-177.7	64	0	0	0	111.6	L371 L377 L378 V379	L371-L375 WeakPolarHBondContact O-CB 3.34Å; L371-L375 PolarHBondContact O-N 3.27Å; L375-L377 PolarHBondContact O-N 3.32Å; L375-L378 PolarHBondContact O-N 3.08Å; L375-V379 HydrophobicContact CD1-CG2 4.49Å; L375-V379 WeakPolarHBondContact O-CG2 3.47Å; L375-V379 PolarHBondContact O-N 3.17Å
376	Y	89.1	Confident	90.8	Very high	35 Å²	35	88 Å²	88	14%	0.137	42%	0.422	C	S	.	.	H	α-helix	trans	-59.7	-45.3	175.4	167.7	-103.8	0	0	0	112.3	Y310 E372 R373 L378 V379 R380	Y310-Y376 AromaticContact CD1-CD1 3.92Å; Y310-Y376 HydrophobicContact CD1-CD1 3.92Å; Y310-Y376 HydrophobicContact CD1-CD2 4.35Å; Y310-Y376 AromaticContact CD1-CE1 3.98Å; Y310-Y376 HydrophobicContact CD1-CE1 3.98Å; Y310-Y376 HydrophobicContact CD1-CE2 4.39Å; Y310-Y376 HydrophobicContact CD1-CG 4.11Å; Y310-Y376 HydrophobicContact CD2-CD1 4.12Å; Y310-Y376 HydrophobicContact CD2-CD2 4.2Å; Y310-Y376 AromaticContact CD2-CG 3.71Å; Y310-Y376 HydrophobicContact CD2-CG 3.71Å; Y310-Y376 HydrophobicContact CE1-CD1 4.06Å; Y310-Y376 HydrophobicContact CE1-CE1 4.24Å; Y310-Y376 HydrophobicContact CE2-CD1 4.27Å; Y310-Y376 HydrophobicContact CE2-CG 4.22Å; Y310-Y376 AromaticContact CG-CD1 3.94Å; Y310-Y376 HydrophobicContact CG-CD1 3.94Å; Y310-Y376 AromaticContact CG-CD2 3.79Å; Y310-Y376 HydrophobicContact CG-CD2 3.79Å; Y310-Y376 HydrophobicContact CG-CE1 4.33Å; Y310-Y376 HydrophobicContact CG-CE2 4.18Å; Y310-Y376 AromaticContact CG-CG 3.64Å; Y310-Y376 HydrophobicContact CG-CG 3.64Å; E372-Y376 WeakPolarHBondContact O-CB 3.38Å; E372-Y376 PolarHBondContact O-N 3.4Å; R373-Y376 PolarHBondContact O-N 3.44Å; Y376-L378 VanDerWaalsContact C-N 3.31Å; Y376-L378 PolarHBondContact O-N 3.18Å; Y376-V379 PolarHBondContact O-N 3.41Å; Y376-R380 VanDerWaalsContact O-CB 3.25Å; Y376-R380 WeakPolarHBondContact O-CB 3.29Å; Y376-R380 PolarHBondContact O-N 3.02Å
377	L	89.9	Confident	90.3	Very high	65 Å²	65	84.9 Å²	84.9	34%	0.34	41%	0.412	S	S	.	.	H	α-helix	trans	-60.6	-41.2	177.4	-77.7	166.3	0	0	0	111.8	R373 A374 L375 R380 R381	R373-L377 HydrophobicContact CG-CD1 3.89Å; R373-L377 HydrophobicContact CG-CG 4.39Å; R373-L377 WeakPolarHBondContact O-CB 3.36Å; R373-L377 VanDerWaalsContact O-CG 3.28Å; R373-L377 WeakPolarHBondContact O-CG 3.45Å; R373-L377 PolarHBondContact O-N 3.02Å; A374-L377 PolarHBondContact O-N 3.47Å; L375-L377 PolarHBondContact O-N 3.32Å; L377-R380 VanDerWaalsContact CD2-NH2 3.31Å; L377-R381 VanDerWaalsContact O-CB 3.28Å; L377-R381 WeakPolarHBondContact O-CB 3.43Å; L377-R381 PolarHBondContact O-N 2.88Å
378	L	92.4	Very high	89.9	Confident	108 Å²	108	79.6 Å²	79.6	57%	0.565	40%	0.396	S	S	*	.	H	α-helix	trans	-63.3	-52.7	175.9	180	64.4	0	0	0	111	A374 L375 Y376 R380 R381 V382	A374-L378 WeakPolarHBondContact O-CB 3.28Å; A374-L378 PolarHBondContact O-N 3.38Å; L375-L378 PolarHBondContact O-N 3.08Å; Y376-L378 VanDerWaalsContact C-N 3.31Å; Y376-L378 PolarHBondContact O-N 3.18Å; L378-R380 VanDerWaalsContact C-N 3.32Å; L378-R380 PolarHBondContact O-N 3.36Å; L378-R381 PolarHBondContact O-N 2.85Å; L378-V382 HydrophobicContact CD1-CG2 4.29Å; L378-V382 WeakPolarHBondContact O-CG2 3.33Å; L378-V382 PolarHBondContact O-N 3.39Å
379	V	88.3	Confident	89.7	Confident	78 Å²	78	79.9 Å²	79.9	47%	0.473	40%	0.403	S	S	.	.	H	α-helix	trans	-58	-45.5	179	171	0	0	0	0	111	L375 Y376 R381 V382 L383	L375-V379 HydrophobicContact CD1-CG2 4.49Å; L375-V379 WeakPolarHBondContact O-CG2 3.47Å; L375-V379 PolarHBondContact O-N 3.17Å; Y376-V379 PolarHBondContact O-N 3.41Å; V379-R381 PolarHBondContact O-N 2.81Å; V379-V382 PolarHBondContact O-N 3.49Å; V379-L383 WeakPolarHBondContact O-CB 3.34Å; V379-L383 PolarHBondContact O-N 2.86Å
380	R	86.3	Confident	89.4	Confident	94 Å²	94	81.2 Å²	81.2	36%	0.355	41%	0.414	S	S	.	.	H	α-helix	trans	-61.2	-43.6	177.5	-175.3	174.9	68.3	111.1	1.3	111.9	Y376 L377 L378 H384	Y376-R380 VanDerWaalsContact O-CB 3.25Å; Y376-R380 WeakPolarHBondContact O-CB 3.29Å; Y376-R380 PolarHBondContact O-N 3.02Å; L377-R380 VanDerWaalsContact CD2-NH2 3.31Å; L378-R380 VanDerWaalsContact C-N 3.32Å; L378-R380 PolarHBondContact O-N 3.36Å; R380-H384 VanDerWaalsContact O-CB 3.28Å; R380-H384 WeakPolarHBondContact O-CB 3.29Å; R380-H384 PolarHBondContact O-N 3.35Å
381	R	88.8	Confident	89	Confident	185 Å²	185	78.1 Å²	78.1	70%	0.698	40%	0.398	S	S	*	.	H	α-helix	trans	-66.9	-42.2	179.4	-176.3	170	-70	-84.4	0.8	112	L377 L378 V379 H384 L385	L377-R381 VanDerWaalsContact O-CB 3.28Å; L377-R381 WeakPolarHBondContact O-CB 3.43Å; L377-R381 PolarHBondContact O-N 2.88Å; L378-R381 PolarHBondContact O-N 2.85Å; V379-R381 PolarHBondContact O-N 2.81Å; R381-H384 PolarHBondContact O-N 3.43Å; R381-L385 WeakPolarHBondContact O-CB 3.33Å; R381-L385 PolarHBondContact O-N 2.91Å
382	V	90.3	Very high	88.8	Confident	93 Å²	93	77.3 Å²	77.3	56%	0.564	39%	0.393	S	S	*	.	H	α-helix	trans	-63.8	-45.7	176	171.9	0	0	0	0	110.9	L378 V379 H384 L385 G386	L378-V382 HydrophobicContact CD1-CG2 4.29Å; L378-V382 WeakPolarHBondContact O-CG2 3.33Å; L378-V382 PolarHBondContact O-N 3.39Å; V379-V382 PolarHBondContact O-N 3.49Å; V382-H384 PolarHBondContact O-N 2.99Å; V382-L385 PolarHBondContact O-N 3.35Å; V382-G386 PolarHBondContact O-N 3.16Å
383	L	86.1	Confident	88.7	Confident	59 Å²	59	78.5 Å²	78.5	31%	0.309	41%	0.406	S	S	.	.	H	α-helix	trans	-62	-43.6	177.6	-174.2	70.8	0	0	0	111.5	F302 T303 V379 G386 V387	F302-L383 HydrophobicContact CB-CD2 4.16Å; T303-L383 HydrophobicContact CG2-CD2 3.94Å; V379-L383 WeakPolarHBondContact O-CB 3.34Å; V379-L383 PolarHBondContact O-N 2.86Å; L383-G386 PolarHBondContact O-N 3.41Å; L383-V387 PolarHBondContact O-N 3.14Å; L383-V387 VanDerWaalsContact O-N 3.09Å
384	H	85.3	Confident	88.5	Confident	62 Å²	62	74 Å²	74	29%	0.287	39%	0.394	S	S	.	.	H	α-helix	trans	-61.9	-47.7	177	-178.6	73.1	0	0	0	111.9	R380 R381 V382 G386 V387 Q388	R380-H384 VanDerWaalsContact O-CB 3.28Å; R380-H384 WeakPolarHBondContact O-CB 3.29Å; R380-H384 PolarHBondContact O-N 3.35Å; R381-H384 PolarHBondContact O-N 3.43Å; V382-H384 PolarHBondContact O-N 2.99Å; H384-G386 VanDerWaalsContact C-N 3.33Å; H384-G386 PolarHBondContact O-N 2.82Å; H384-V387 PolarHBondContact O-N 3.27Å; H384-Q388 WeakPolarHBondContact O-CB 3.33Å; H384-Q388 PolarHBondContact O-N 3.41Å
385	L	89.1	Confident	88.2	Confident	87 Å²	87	71.4 Å²	71.4	46%	0.455	37%	0.372	S	S	.	.	H	α-helix	trans	-61.4	-41.6	177	-176.8	64.9	0	0	0	111.8	R381 V382 V387 Q388 M389	R381-L385 WeakPolarHBondContact O-CB 3.33Å; R381-L385 PolarHBondContact O-N 2.91Å; V382-L385 PolarHBondContact O-N 3.35Å; L385-V387 VanDerWaalsContact C-N 3.33Å; L385-V387 PolarHBondContact O-N 3.26Å; L385-Q388 PolarHBondContact O-N 3.17Å; L385-M389 HydrophobicContact CD1-CE 4.12Å; L385-M389 HydrophobicContact CD1-CG 4.5Å; L385-M389 WeakPolarHBondContact O-CB 3.21Å; L385-M389 VanDerWaalsContact O-CG 3.3Å; L385-M389 WeakPolarHBondContact O-CG 3.34Å; L385-M389 PolarHBondContact O-N 3.23Å
386	G	88.3	Confident	88	Confident	42 Å²	42	70.8 Å²	70.8	43%	0.433	37%	0.369	S	S	.	.	H	α-helix	trans	-60.1	-42.1	177.1	0	0	0	0	0	112.6	V382 L383 H384 L390	V382-G386 PolarHBondContact O-N 3.16Å; L383-G386 PolarHBondContact O-N 3.41Å; H384-G386 VanDerWaalsContact C-N 3.33Å; H384-G386 PolarHBondContact O-N 2.82Å; G386-L390 WeakPolarHBondContact O-CB 3.21Å; G386-L390 PolarHBondContact O-N 3.14Å
387	V	85.1	Confident	87.9	Confident	21 Å²	21	74.5 Å²	74.5	13%	0.127	39%	0.388	C	S	.	.	H	α-helix	trans	-70.1	-39.8	175.9	172.1	0	0	0	0	111.9	H299 L383 H384 L385 M389 L390 M391	H299-V387 HydrophobicContact CB-CG1 4.1Å; H299-V387 HydrophobicContact CB-CG2 4.01Å; H299-V387 VanDerWaalsContact ND1-CG2 3.34Å; H299-V387 WeakPolarHBondContact ND1-CG2 3.11Å; L383-V387 PolarHBondContact O-N 3.14Å; L383-V387 VanDerWaalsContact O-N 3.09Å; H384-V387 PolarHBondContact O-N 3.27Å; L385-V387 VanDerWaalsContact C-N 3.33Å; L385-V387 PolarHBondContact O-N 3.26Å; V387-M389 VanDerWaalsContact C-N 3.33Å; V387-M389 PolarHBondContact O-N 2.65Å; V387-L390 PolarHBondContact O-N 2.83Å; V387-M391 WeakPolarHBondContact O-CB 3.42Å; V387-M391 PolarHBondContact O-N 3.34Å
388	Q	86.5	Confident	87.7	Confident	77 Å²	77	72 Å²	72	36%	0.36	38%	0.375	S	S	.	.	H	α-helix	trans	-61.5	-42	176	-168.8	177.3	8.6	0	0	111.7	H384 L385 M391 L392	H384-Q388 WeakPolarHBondContact O-CB 3.33Å; H384-Q388 PolarHBondContact O-N 3.41Å; L385-Q388 PolarHBondContact O-N 3.17Å; Q388-M391 PolarHBondContact O-N 3.24Å; Q388-L392 WeakPolarHBondContact O-CB 3.16Å; Q388-L392 PolarHBondContact O-N 2.87Å
389	M	89.4	Confident	87.5	Confident	117 Å²	117	69.1 Å²	69.1	58%	0.576	36%	0.359	S	S	*	.	H	α-helix	trans	-63.6	-44.9	175.5	-73	-68	-179.5	0	0	112.3	L385 V387 M391 L392 S393	L385-M389 HydrophobicContact CD1-CE 4.12Å; L385-M389 HydrophobicContact CD1-CG 4.5Å; L385-M389 WeakPolarHBondContact O-CB 3.21Å; L385-M389 VanDerWaalsContact O-CG 3.3Å; L385-M389 WeakPolarHBondContact O-CG 3.34Å; L385-M389 PolarHBondContact O-N 3.23Å; V387-M389 VanDerWaalsContact C-N 3.33Å; V387-M389 PolarHBondContact O-N 2.65Å; M389-M391 VanDerWaalsContact C-N 3.31Å; M389-M391 PolarHBondContact O-N 3.22Å; M389-L392 PolarHBondContact O-N 3.34Å; M389-S393 PolarHBondContact O-N 2.9Å; M389-S393 PolarHBondContact O-OG 3.35Å
390	L	87	Confident	87.3	Confident	85 Å²	85	72.4 Å²	72.4	45%	0.445	37%	0.369	S	S	.	.	H	α-helix	trans	-64.8	-37.4	176.7	-175.4	63	0	0	0	111.9	L295 G386 V387 S393 C394	L295-L390 HydrophobicContact CD1-CD2 3.78Å; L295-L390 HydrophobicContact CD1-CG 4.4Å; L295-L390 HydrophobicContact CD2-CD2 4.29Å; L295-L390 HydrophobicContact CD2-CG 4.04Å; G386-L390 WeakPolarHBondContact O-CB 3.21Å; G386-L390 PolarHBondContact O-N 3.14Å; V387-L390 PolarHBondContact O-N 2.83Å; L390-S393 PolarHBondContact O-OG 2.72Å; L390-C394 WeakPolarHBondContact O-CB 3.2Å; L390-C394 PolarHBondContact O-N 3.35Å; L390-C394 PolarHBondContact O-SG 3.26Å; L390-C394 VanDerWaalsContact O-SG 3.38Å
391	M	86.6	Confident	87.2	Confident	2 Å²	2	72.7 Å²	72.7	1%	0.01	38%	0.377	C	S	.	.	H	α-helix	trans	-70	-38.8	178.1	-169.8	164.1	120.6	0	0	111.7	L292 L295 V387 Q388 M389 G395 F412 M413 Q416	L292-M391 HydrophobicContact CD2-CG 4.5Å; L295-M391 HydrophobicContact CD2-CB 4.47Å; V387-M391 WeakPolarHBondContact O-CB 3.42Å; V387-M391 PolarHBondContact O-N 3.34Å; Q388-M391 PolarHBondContact O-N 3.24Å; M389-M391 VanDerWaalsContact C-N 3.31Å; M389-M391 PolarHBondContact O-N 3.22Å; M391-G395 PolarHBondContact O-N 2.97Å; M391-F412 HydrophobicContact CE-CD1 3.19Å; M391-F412 HydrophobicContact CE-CE1 3.32Å; M391-F412 HydrophobicContact CE-CG 4.42Å; M391-F412 HydrophobicContact CG-CD1 4.47Å; M391-F412 HydrophobicContact CG-CE1 4.17Å; M391-F412 HydrophobicContact SD-CD1 4.02Å; M391-F412 HydrophobicContact SD-CE1 3.52Å; M391-F412 VanDerWaalsContact SD-CE1 3.52Å; M391-M413 HydrophobicContact CE-CB 4.5Å; M391-M413 HydrophobicContact CE-CG 4.03Å; M391-Q416 HydrophobicContact CE-CB 3.48Å; M391-Q416 VanDerWaalsContact CE-CB 3.48Å; M391-Q416 HydrophobicContact CE-CG 3.71Å; M391-Q416 HydrophobicContact SD-CB 4.11Å; M391-Q416 HydrophobicContact SD-CG 3.69Å
392	L	88.4	Confident	86.8	Confident	82 Å²	82	67.1 Å²	67.1	43%	0.429	38%	0.377	S	S	.	.	H	α-helix	trans	-66.1	-41	174.3	179.1	61.2	0	0	0	111.7	Q388 M389 G395 L396 L409 M413	Q388-L392 WeakPolarHBondContact O-CB 3.16Å; Q388-L392 PolarHBondContact O-N 2.87Å; M389-L392 PolarHBondContact O-N 3.34Å; L392-G395 PolarHBondContact O-N 3.5Å; L392-L396 WeakPolarHBondContact O-CB 3.38Å; L392-L396 PolarHBondContact O-N 2.92Å; L392-L409 HydrophobicContact CD1-CD2 4.2Å; L392-M413 HydrophobicContact CB-CE 3.82Å; L392-M413 HydrophobicContact CD1-CE 3.42Å; L392-M413 VanDerWaalsContact CD1-CE 3.42Å; L392-M413 HydrophobicContact CG-CE 4.13Å
393	S	87.8	Confident	86.3	Confident	64 Å²	64	67.6 Å²	67.6	45%	0.448	37%	0.373	S	S	.	.	H	α-helix	trans	-67.1	-44.8	178.2	65.1	0	0	0	0	112.4	M389 L390 G395 L396 Q397	M389-S393 PolarHBondContact O-N 2.9Å; M389-S393 PolarHBondContact O-OG 3.35Å; L390-S393 PolarHBondContact O-OG 2.72Å; S393-G395 VanDerWaalsContact C-N 3.33Å; S393-L396 PolarHBondContact O-N 3.17Å; S393-Q397 PolarHBondContact O-N 3.31Å; S393-Q397 VanDerWaalsContact O-N 3.12Å
394	C	86.9	Confident	86.2	Confident	38 Å²	38	65.5 Å²	65.5	26%	0.257	36%	0.362	S	S	.	.	H	α-helix	trans	-65.6	-36.2	173.5	-69.2	0	0	0	0	112.4	L292 L390 Q397 Q398	L292-C394 HydrophobicContact CD2-CB 3.85Å; L390-C394 WeakPolarHBondContact O-CB 3.2Å; L390-C394 PolarHBondContact O-N 3.35Å; L390-C394 PolarHBondContact O-SG 3.26Å; L390-C394 VanDerWaalsContact O-SG 3.38Å; C394-Q397 PolarHBondContact O-N 3Å; C394-Q398 PolarHBondContact O-N 3.34Å; C394-Q398 VanDerWaalsContact O-N 3.11Å
395	G	88.1	Confident	86.3	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-64.3	-42.9	175.1	0	0	0	0	0	112.1	M391 L392 S393 Q397 Q398 M399	M391-G395 PolarHBondContact O-N 2.97Å; L392-G395 PolarHBondContact O-N 3.5Å; S393-G395 VanDerWaalsContact C-N 3.33Å; G395-Q397 VanDerWaalsContact C-N 3.35Å; G395-Q397 PolarHBondContact O-N 3.36Å; G395-Q398 PolarHBondContact O-N 3.04Å; G395-M399 WeakPolarHBondContact O-CG 3.37Å; G395-M399 PolarHBondContact O-N 3.01Å
396	L	87.5	Confident	86.2	Confident	92 Å²	92	67.3 Å²	67.3	48%	0.482	37%	0.374	S	S	.	.	H	α-helix	trans	-61.8	-41.8	175.6	-177.5	65.7	0	0	0	111.9	L392 S393 M399 Q400	L392-L396 WeakPolarHBondContact O-CB 3.38Å; L392-L396 PolarHBondContact O-N 2.92Å; S393-L396 PolarHBondContact O-N 3.17Å; L396-M399 WeakPolarHBondContact O-CB 3.25Å; L396-M399 PolarHBondContact O-N 3.42Å; L396-Q400 WeakPolarHBondContact O-CG 3.46Å; L396-Q400 PolarHBondContact O-N 3.46Å
397	Q	86.8	Confident	86.1	Confident	113 Å²	113	65.3 Å²	65.3	53%	0.528	35%	0.353	S	S	.	.	H	α-helix	trans	-61.4	-45.3	175.5	-171.9	179.7	-10.1	0	0	111.4	S393 C394 G395 M399 Q400 D401	S393-Q397 PolarHBondContact O-N 3.31Å; S393-Q397 VanDerWaalsContact O-N 3.12Å; C394-Q397 PolarHBondContact O-N 3Å; G395-Q397 VanDerWaalsContact C-N 3.35Å; G395-Q397 PolarHBondContact O-N 3.36Å; Q397-M399 VanDerWaalsContact C-N 3.28Å; Q397-M399 PolarHBondContact O-N 2.91Å; Q397-Q400 WeakPolarHBondContact O-CB 3.37Å; Q397-Q400 PolarHBondContact O-N 2.99Å; Q397-Q400 VanDerWaalsContact O-N 3.13Å; Q397-D401 PolarHBondContact O-N 3.32Å
398	Q	86.1	Confident	86.2	Confident	14 Å²	14	65.3 Å²	65.3	7%	0.065	35%	0.354	C	S	.	.	H	α-helix	trans	-64.9	-30.8	176.6	-74.3	171.5	35.4	0	0	113.2	S289 C394 G395 G402 E403 L404	S289-Q398 PolarHBondContact OG-OE1 3.12Å; C394-Q398 PolarHBondContact O-N 3.34Å; C394-Q398 VanDerWaalsContact O-N 3.11Å; G395-Q398 PolarHBondContact O-N 3.04Å; Q398-G402 PolarHBondContact O-N 3.03Å; Q398-E403 PolarHBondContact O-N 3.41Å; Q398-L404 HydrophobicContact CB-CB 4.09Å; Q398-L404 PolarHBondContact O-N 3.33Å
399	M	88.1	Confident	86.3	Confident	47 Å²	47	62.3 Å²	62.3	23%	0.232	34%	0.34	C	S	.	.	H	α-helix	trans	-69	-39.4	172.3	-71.4	171.5	58	0	0	112.1	G395 L396 Q397 D401 G402 L404 Q406 L409	G395-M399 WeakPolarHBondContact O-CG 3.37Å; G395-M399 PolarHBondContact O-N 3.01Å; L396-M399 WeakPolarHBondContact O-CB 3.25Å; L396-M399 PolarHBondContact O-N 3.42Å; Q397-M399 VanDerWaalsContact C-N 3.28Å; Q397-M399 PolarHBondContact O-N 2.91Å; M399-D401 VanDerWaalsContact C-N 3.3Å; M399-G402 PolarHBondContact O-N 2.84Å; M399-G402 VanDerWaalsContact O-N 3.16Å; M399-L404 HydrophobicContact CG-CB 4.2Å; M399-L404 HydrophobicContact CG-CD2 4.45Å; M399-L404 WeakPolarHBondContact CG-O 3.29Å; M399-Q406 HydrophobicContact CE-CB 4.31Å; M399-Q406 HydrophobicContact CE-CG 3.42Å; M399-Q406 VanDerWaalsContact CE-CG 3.42Å; M399-L409 HydrophobicContact SD-CB 4.27Å; M399-L409 HydrophobicContact SD-CD2 3.42Å; M399-L409 WeakPolarHBondContact SD-CD2 3.42Å; M399-L409 HydrophobicContact SD-CG 4.47Å
400	Q	85.6	Confident	86.4	Confident	147 Å²	147	59.8 Å²	59.8	69%	0.687	33%	0.329	S	S	*	.	H	α-helix	trans	-65.6	-35.2	175.8	-71.6	174.3	-9.1	0	0	111.8	L396 Q397 G402	L396-Q400 WeakPolarHBondContact O-CG 3.46Å; L396-Q400 PolarHBondContact O-N 3.46Å; Q397-Q400 WeakPolarHBondContact O-CB 3.37Å; Q397-Q400 PolarHBondContact O-N 2.99Å; Q397-Q400 VanDerWaalsContact O-N 3.13Å; Q400-G402 PolarHBondContact O-N 3.1Å
401	D	84.1	Confident	86.5	Confident	99 Å²	99	55.9 Å²	55.9	53%	0.529	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-4.1	175.3	-64.1	-27.3	0	0	0	113.1	Q397 M399 E403	Q397-D401 PolarHBondContact O-N 3.32Å; M399-D401 VanDerWaalsContact C-N 3.3Å; D401-E403 VanDerWaalsContact C-N 3.25Å; D401-E403 HydrophobicContact CB-CG 4.31Å; D401-E403 PolarHBondContact O-N 2.81Å
402	G	79.7	Confident	86.7	Confident	68 Å²	68	55.8 Å²	55.8	70%	0.701	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	8.6	-179.8	0	0	0	0	0	114.8	Q398 M399 Q400	Q398-G402 PolarHBondContact O-N 3.03Å; M399-G402 PolarHBondContact O-N 2.84Å; M399-G402 VanDerWaalsContact O-N 3.16Å; Q400-G402 PolarHBondContact O-N 3.1Å
403	E	78.9	Confident	86.7	Confident	103 Å²	103	53.7 Å²	53.7	48%	0.481	30%	0.296	S	S	.	.	S	Bend	trans	-79.6	-18.1	-179.5	-65.5	-175.5	168.3	0	0	112.9	R291 Q398 D401	R291-E403 IonicContact CZ-OE1 3.2Å; R291-E403 IonicContact CZ-OE2 2.67Å; R291-E403 IonicContact NH1-OE1 2.96Å; R291-E403 PolarHBondContact NH1-OE1 3.41Å; R291-E403 IonicContact NH1-OE2 3.88Å; R291-E403 PolarHBondContact NH1-OE2 3.32Å; R291-E403 IonicContact NH2-OE1 3.59Å; Q398-E403 PolarHBondContact O-N 3.41Å; D401-E403 VanDerWaalsContact C-N 3.25Å; D401-E403 HydrophobicContact CB-CG 4.31Å; D401-E403 PolarHBondContact O-N 2.81Å
404	L	85.9	Confident	86.9	Confident	15 Å²	15	53.3 Å²	53.3	8%	0.079	29%	0.289	C	S	.	.	S	Bend	trans	-140.7	138.5	-171.3	-163.1	72.5	0	0	0	112.3	I288 L292 Q398 M399 S408 L409	I288-L404 HydrophobicContact CG2-CD1 3.68Å; L292-L404 HydrophobicContact CD1-CD2 3.84Å; Q398-L404 HydrophobicContact CB-CB 4.09Å; Q398-L404 PolarHBondContact O-N 3.33Å; M399-L404 HydrophobicContact CG-CB 4.2Å; M399-L404 HydrophobicContact CG-CD2 4.45Å; M399-L404 WeakPolarHBondContact CG-O 3.29Å; L404-S408 WeakPolarHBondContact CD1-OG 3.47Å; L404-S408 VanDerWaalsContact CG-OG 3.28Å; L404-S408 WeakPolarHBondContact CG-OG 3.24Å; L404-L409 HydrophobicContact CD2-CB 3.93Å; L404-L409 HydrophobicContact CD2-CD1 4.05Å
405	T	86.4	Confident	87.1	Confident	67 Å²	67	51.5 Å²	51.5	41%	0.411	28%	0.277	S	S	.	.			trans	-88.2	161.3	174.9	69	0	0	0	0	112.5	D178 G407 S408 L409	D178-T405 VanDerWaalsContact OD1-CB 3.28Å; D178-T405 WeakPolarHBondContact OD1-CB 3.43Å; D178-T405 PolarHBondContact OD1-OG1 3.31Å; D178-T405 WeakPolarHBondContact OD2-CB 3.49Å; D178-T405 PolarHBondContact OD2-OG1 3.43Å; T405-G407 VanDerWaalsContact C-N 3.35Å; T405-G407 PolarHBondContact O-N 3.28Å; T405-S408 PolarHBondContact N-OG 3.33Å; T405-S408 PolarHBondContact O-N 3.22Å; T405-S408 PolarHBondContact O-OG 3.36Å; T405-S408 VanDerWaalsContact OG1-CB 3.25Å; T405-S408 WeakPolarHBondContact OG1-CB 2.98Å; T405-S408 PolarHBondContact OG1-N 2.78Å; T405-S408 VanDerWaalsContact OG1-N 3.12Å; T405-S408 PolarHBondContact OG1-OG 3.4Å; T405-L409 PolarHBondContact O-N 2.67Å; T405-L409 VanDerWaalsContact O-N 3.11Å
406	Q	86.1	Confident	87.1	Confident	121 Å²	121	52.2 Å²	52.2	57%	0.565	28%	0.28	S	S	*	.	H	α-helix	trans	-58.7	-44.4	177.4	-72.4	179.6	3.3	0	0	112.3	D178 M399 L409 L410	D178-Q406 PolarHBondContact OD1-N 3.03Å; M399-Q406 HydrophobicContact CE-CB 4.31Å; M399-Q406 HydrophobicContact CE-CG 3.42Å; M399-Q406 VanDerWaalsContact CE-CG 3.42Å; Q406-L409 PolarHBondContact O-N 3.29Å; Q406-L410 PolarHBondContact O-N 3.29Å; Q406-L410 VanDerWaalsContact O-N 3.16Å
407	G	86.4	Confident	87	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-70.8	-34.3	179.2	0	0	0	0	0	113.7	G174 D178 T405 L410 S411	G174-G407 WeakPolarHBondContact CA-O 3.49Å; G174-G407 VanDerWaalsContact O-CA 3.28Å; G174-G407 WeakPolarHBondContact O-CA 3.41Å; D178-G407 VanDerWaalsContact OD1-CA 3.29Å; D178-G407 WeakPolarHBondContact OD1-CA 3.47Å; D178-G407 PolarHBondContact OD1-N 3.11Å; T405-G407 VanDerWaalsContact C-N 3.35Å; T405-G407 PolarHBondContact O-N 3.28Å; G407-L410 PolarHBondContact O-N 3.37Å; G407-S411 WeakPolarHBondContact O-CB 3.29Å; G407-S411 PolarHBondContact O-N 2.96Å; G407-S411 PolarHBondContact O-OG 3.14Å
408	S	88.2	Confident	87.1	Confident	20 Å²	20	50.5 Å²	50.5	14%	0.14	27%	0.274	C	S	.	.	H	α-helix	trans	-68.5	-35.9	174	66.7	0	0	0	0	112.2	L404 T405 S411 F412	L404-S408 WeakPolarHBondContact CD1-OG 3.47Å; L404-S408 VanDerWaalsContact CG-OG 3.28Å; L404-S408 WeakPolarHBondContact CG-OG 3.24Å; T405-S408 PolarHBondContact N-OG 3.33Å; T405-S408 PolarHBondContact O-N 3.22Å; T405-S408 PolarHBondContact O-OG 3.36Å; T405-S408 VanDerWaalsContact OG1-CB 3.25Å; T405-S408 WeakPolarHBondContact OG1-CB 2.98Å; T405-S408 PolarHBondContact OG1-N 2.78Å; T405-S408 VanDerWaalsContact OG1-N 3.12Å; T405-S408 PolarHBondContact OG1-OG 3.4Å; S408-S411 PolarHBondContact O-N 3.11Å; S408-F412 VanDerWaalsContact O-CB 3.27Å; S408-F412 WeakPolarHBondContact O-CB 3.44Å; S408-F412 PolarHBondContact O-N 3.18Å
409	L	89	Confident	87.2	Confident	14 Å²	14	49.9 Å²	49.9	7%	0.073	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-44.7	171.6	-179.1	60.9	0	0	0	111.5	L292 L392 M399 L404 T405 Q406 F412 M413	L292-L409 HydrophobicContact CD1-CD1 4.37Å; L392-L409 HydrophobicContact CD1-CD2 4.2Å; M399-L409 HydrophobicContact SD-CB 4.27Å; M399-L409 HydrophobicContact SD-CD2 3.42Å; M399-L409 WeakPolarHBondContact SD-CD2 3.42Å; M399-L409 HydrophobicContact SD-CG 4.47Å; L404-L409 HydrophobicContact CD2-CB 3.93Å; L404-L409 HydrophobicContact CD2-CD1 4.05Å; T405-L409 PolarHBondContact O-N 2.67Å; T405-L409 VanDerWaalsContact O-N 3.11Å; Q406-L409 PolarHBondContact O-N 3.29Å; L409-F412 WeakPolarHBondContact O-CB 3.33Å; L409-F412 PolarHBondContact O-N 3Å; L409-M413 HydrophobicContact CD1-CE 4.08Å; L409-M413 HydrophobicContact CD2-CE 4.34Å; L409-M413 HydrophobicContact CG-CE 4.08Å; L409-M413 WeakPolarHBondContact O-CG 3.37Å; L409-M413 PolarHBondContact O-N 3.41Å
410	L	89.9	Confident	86.9	Confident	65 Å²	65	48.5 Å²	48.5	34%	0.34	27%	0.269	S	S	.	.	H	α-helix	trans	-60.6	-46.7	175.6	178.9	65.5	0	0	0	111.8	I177 Q406 G407 F412 M413 I414	I177-L410 HydrophobicContact CG1-CD2 3.72Å; Q406-L410 PolarHBondContact O-N 3.29Å; Q406-L410 VanDerWaalsContact O-N 3.16Å; G407-L410 PolarHBondContact O-N 3.37Å; L410-F412 VanDerWaalsContact C-N 3.26Å; L410-F412 PolarHBondContact O-N 3.43Å; L410-M413 PolarHBondContact O-N 2.99Å; L410-I414 HydrophobicContact CD1-CD1 4.39Å; L410-I414 HydrophobicContact CG-CD1 4.2Å; L410-I414 WeakPolarHBondContact O-CG1 3.35Å; L410-I414 PolarHBondContact O-N 3.35Å; L410-I414 VanDerWaalsContact O-N 3.12Å
411	S	90.9	Very high	86.9	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-56.3	-45	176.1	-56.2	0	0	0	0	110.8	P170 G174 G407 S408 M413 I414 Y415	P170-S411 PolarHBondContact O-OG 2.83Å; P170-S411 VanDerWaalsContact O-OG 3.04Å; G174-S411 VanDerWaalsContact CA-OG 3.31Å; G174-S411 WeakPolarHBondContact CA-OG 3.32Å; G407-S411 WeakPolarHBondContact O-CB 3.29Å; G407-S411 PolarHBondContact O-N 2.96Å; G407-S411 PolarHBondContact O-OG 3.14Å; S408-S411 PolarHBondContact O-N 3.11Å; S411-M413 PolarHBondContact O-N 3.29Å; S411-I414 PolarHBondContact O-N 2.86Å; S411-Y415 WeakPolarHBondContact O-CD2 3.32Å; S411-Y415 VanDerWaalsContact O-CG 3.3Å; S411-Y415 PolarHBondContact O-N 2.8Å
412	F	90.5	Very high	87.2	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.8	-38.6	-179.9	-168.7	-90.8	0	0	0	112.4	M285 I288 L292 M391 S408 L409 L410 Y415 Q416	M285-F412 HydrophobicContact CB-CD2 4.24Å; M285-F412 HydrophobicContact CB-CE2 3.71Å; M285-F412 HydrophobicContact CE-CD2 4.3Å; M285-F412 HydrophobicContact CE-CE1 3.88Å; M285-F412 HydrophobicContact CE-CE2 3.57Å; M285-F412 HydrophobicContact CE-CZ 3.28Å; M285-F412 HydrophobicContact CG-CD2 4.16Å; M285-F412 HydrophobicContact CG-CE2 3.91Å; I288-F412 HydrophobicContact CB-CD2 4.39Å; I288-F412 HydrophobicContact CG2-CD2 4.29Å; L292-F412 VanDerWaalsContact C-CZ 3.4Å; L292-F412 HydrophobicContact CB-CD1 4.08Å; L292-F412 HydrophobicContact CB-CE1 3.4Å; L292-F412 HydrophobicContact CB-CE2 3.94Å; L292-F412 HydrophobicContact CB-CZ 3.33Å; L292-F412 HydrophobicContact CD1-CD1 4.05Å; L292-F412 HydrophobicContact CD1-CE1 4.21Å; L292-F412 HydrophobicContact CD1-CG 4.41Å; L292-F412 HydrophobicContact CG-CE1 4.38Å; M391-F412 HydrophobicContact CE-CD1 3.19Å; M391-F412 HydrophobicContact CE-CE1 3.32Å; M391-F412 HydrophobicContact CE-CG 4.42Å; M391-F412 HydrophobicContact CG-CD1 4.47Å; M391-F412 HydrophobicContact CG-CE1 4.17Å; M391-F412 HydrophobicContact SD-CD1 4.02Å; M391-F412 HydrophobicContact SD-CE1 3.52Å; M391-F412 VanDerWaalsContact SD-CE1 3.52Å; S408-F412 VanDerWaalsContact O-CB 3.27Å; S408-F412 WeakPolarHBondContact O-CB 3.44Å; S408-F412 PolarHBondContact O-N 3.18Å; L409-F412 WeakPolarHBondContact O-CB 3.33Å; L409-F412 PolarHBondContact O-N 3Å; L410-F412 VanDerWaalsContact C-N 3.26Å; L410-F412 PolarHBondContact O-N 3.43Å; F412-Y415 PolarHBondContact O-N 3.15Å; F412-Q416 WeakPolarHBondContact O-CB 3.26Å; F412-Q416 PolarHBondContact O-N 3.13Å
413	M	88.9	Confident	87.4	Confident	38 Å²	38	39.9 Å²	39.9	19%	0.187	21%	0.214	C	C	.	.	H	α-helix	trans	-63.3	-45.2	174.2	-70.6	-172.2	176.8	0	0	112.6	M391 L392 L409 L410 S411 Y415 Q416 E417	M391-M413 HydrophobicContact CE-CB 4.5Å; M391-M413 HydrophobicContact CE-CG 4.03Å; L392-M413 HydrophobicContact CB-CE 3.82Å; L392-M413 HydrophobicContact CD1-CE 3.42Å; L392-M413 VanDerWaalsContact CD1-CE 3.42Å; L392-M413 HydrophobicContact CG-CE 4.13Å; L409-M413 HydrophobicContact CD1-CE 4.08Å; L409-M413 HydrophobicContact CD2-CE 4.34Å; L409-M413 HydrophobicContact CG-CE 4.08Å; L409-M413 WeakPolarHBondContact O-CG 3.37Å; L409-M413 PolarHBondContact O-N 3.41Å; L410-M413 PolarHBondContact O-N 2.99Å; S411-M413 PolarHBondContact O-N 3.29Å; M413-Y415 VanDerWaalsContact C-N 3.32Å; M413-Y415 PolarHBondContact O-N 3.1Å; M413-Q416 PolarHBondContact O-N 3.02Å; M413-E417 PolarHBondContact O-N 3.17Å; M413-E417 VanDerWaalsContact O-N 3.08Å
414	I	91.1	Very high	87.5	Confident	56 Å²	56	36.8 Å²	36.8	29%	0.287	20%	0.199	S	C	.	.	H	α-helix	trans	-63.6	-39.9	178	-63	168	0	0	0	110.8	P170 L410 S411 S418	P170-I414 HydrophobicContact CB-CB 4.09Å; P170-I414 HydrophobicContact CB-CD1 4.41Å; P170-I414 HydrophobicContact CB-CG2 3.8Å; P170-I414 HydrophobicContact CG-CB 4.47Å; P170-I414 HydrophobicContact CG-CG2 3.65Å; L410-I414 HydrophobicContact CD1-CD1 4.39Å; L410-I414 HydrophobicContact CG-CD1 4.2Å; L410-I414 WeakPolarHBondContact O-CG1 3.35Å; L410-I414 PolarHBondContact O-N 3.35Å; L410-I414 VanDerWaalsContact O-N 3.12Å; S411-I414 PolarHBondContact O-N 2.86Å; I414-S418 PolarHBondContact O-N 3.45Å; I414-S418 PolarHBondContact O-OG 3.23Å; I414-S418 VanDerWaalsContact O-OG 3.06Å
415	Y	90.8	Very high	87.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.8	-44.5	174.9	-68.4	-40.2	0	0	0	112.3	T167 P170 H171 L281 F284 M285 I288 S411 F412 M413 E417 S418 V419	T167-Y415 HydrophobicContact CG2-CE1 4.13Å; T167-Y415 VanDerWaalsContact O-CE1 3.29Å; T167-Y415 WeakPolarHBondContact O-CE1 3.47Å; T167-Y415 PolarHBondContact O-OH 3.02Å; P170-Y415 HydrophobicContact CB-CD1 4.03Å; P170-Y415 HydrophobicContact CB-CE1 3.55Å; P170-Y415 HydrophobicContact CB-CE2 4.39Å; P170-Y415 HydrophobicContact CG-CD1 3.97Å; P170-Y415 HydrophobicContact CG-CE1 3.51Å; H171-Y415 WeakPolarHBondContact CB-OH 2.92Å; H171-Y415 PolarHBondContact N-OH 3.45Å; L281-Y415 HydrophobicContact CD2-CD1 3.32Å; L281-Y415 HydrophobicContact CD2-CE1 3.83Å; L281-Y415 HydrophobicContact CD2-CG 4.17Å; F284-Y415 HydrophobicContact CB-CE2 4.18Å; M285-Y415 HydrophobicContact CG-CD2 4.39Å; M285-Y415 HydrophobicContact CG-CG 4.41Å; I288-Y415 HydrophobicContact CD1-CD2 4.09Å; I288-Y415 HydrophobicContact CD1-CE2 3.89Å; S411-Y415 WeakPolarHBondContact O-CD2 3.32Å; S411-Y415 VanDerWaalsContact O-CG 3.3Å; S411-Y415 PolarHBondContact O-N 2.8Å; F412-Y415 PolarHBondContact O-N 3.15Å; M413-Y415 VanDerWaalsContact C-N 3.32Å; M413-Y415 PolarHBondContact O-N 3.1Å; Y415-E417 PolarHBondContact O-N 3.5Å; Y415-S418 WeakPolarHBondContact O-CB 3.45Å; Y415-S418 PolarHBondContact O-N 3.25Å; Y415-V419 VanDerWaalsContact O-CG2 3.31Å; Y415-V419 WeakPolarHBondContact O-CG2 3.26Å; Y415-V419 PolarHBondContact O-N 2.89Å
416	Q	88.3	Confident	87.5	Confident	14 Å²	14	37.1 Å²	37.1	7%	0.065	20%	0.2	C	C	.	.	H	α-helix	trans	-62.1	-41.1	-179.6	178.4	-104.4	-35.2	0	0	112.6	M285 M391 F412 M413 G420	M285-Q416 HydrophobicContact CE-CB 4Å; M391-Q416 HydrophobicContact CE-CB 3.48Å; M391-Q416 VanDerWaalsContact CE-CB 3.48Å; M391-Q416 HydrophobicContact CE-CG 3.71Å; M391-Q416 HydrophobicContact SD-CB 4.11Å; M391-Q416 HydrophobicContact SD-CG 3.69Å; F412-Q416 WeakPolarHBondContact O-CB 3.26Å; F412-Q416 PolarHBondContact O-N 3.13Å; M413-Q416 PolarHBondContact O-N 3.02Å; Q416-G420 PolarHBondContact O-N 3.44Å
417	E	86.1	Confident	87.2	Confident	129 Å²	129	34.3 Å²	34.3	60%	0.603	19%	0.191	S	C	*	.	H	α-helix	trans	-60.6	-46.6	174.2	-175.1	178.8	-172.5	0	0	111.3	M413 Y415 G420	M413-E417 PolarHBondContact O-N 3.17Å; M413-E417 VanDerWaalsContact O-N 3.08Å; Y415-E417 PolarHBondContact O-N 3.5Å; E417-G420 PolarHBondContact O-N 3.2Å
418	S	88.4	Confident	86.8	Confident	40 Å²	40	40.7 Å²	40.7	28%	0.28	22%	0.216	S	C	.	.	H	α-helix	trans	-62.7	-47.2	-179.4	-67.2	0	0	0	0	112.4	I414 Y415 G420 S421 Y422	I414-S418 PolarHBondContact O-N 3.45Å; I414-S418 PolarHBondContact O-OG 3.23Å; I414-S418 VanDerWaalsContact O-OG 3.06Å; Y415-S418 WeakPolarHBondContact O-CB 3.45Å; Y415-S418 PolarHBondContact O-N 3.25Å; S418-G420 VanDerWaalsContact C-N 3.32Å; S418-G420 PolarHBondContact O-N 3.4Å; S418-S421 PolarHBondContact O-N 2.96Å; S418-Y422 WeakPolarHBondContact O-CD2 3.14Å; S418-Y422 WeakPolarHBondContact O-CE2 3.17Å; S418-Y422 PolarHBondContact O-N 2.95Å
419	V	87.8	Confident	86.6	Confident	2 Å²	2	40 Å²	40	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-60.6	-41.6	-178	173.4	0	0	0	0	111.6	L281 Y282 M285 M300 Y415 S421 Y422 V423	L281-V419 HydrophobicContact CB-CG2 3.3Å; L281-V419 HydrophobicContact CD1-CG2 3.63Å; L281-V419 HydrophobicContact CG-CG2 4.03Å; Y282-V419 HydrophobicContact CD2-CG1 4.15Å; Y282-V419 HydrophobicContact CE1-CG1 4.15Å; Y282-V419 HydrophobicContact CE2-CG1 3.49Å; Y282-V419 VanDerWaalsContact CE2-CG1 3.49Å; Y282-V419 VanDerWaalsContact CZ-CG1 3.49Å; M285-V419 HydrophobicContact SD-CG2 3.86Å; M300-V419 HydrophobicContact CE-CG1 3.76Å; Y415-V419 VanDerWaalsContact O-CG2 3.31Å; Y415-V419 WeakPolarHBondContact O-CG2 3.26Å; Y415-V419 PolarHBondContact O-N 2.89Å; V419-S421 VanDerWaalsContact C-N 3.29Å; V419-S421 PolarHBondContact O-N 3.33Å; V419-Y422 PolarHBondContact O-N 3.07Å; V419-V423 HydrophobicContact CG1-CG2 3.99Å; V419-V423 WeakPolarHBondContact O-CG2 3.42Å; V419-V423 PolarHBondContact O-N 3.39Å
420	G	82.4	Confident	85.8	Confident	18 Å²	18	47 Å²	47	19%	0.186	24%	0.237	C	C	.	.	H	α-helix	trans	-50.6	-48.7	175.9	0	0	0	0	0	112.6	Q416 E417 S418 Q424	Q416-G420 PolarHBondContact O-N 3.44Å; E417-G420 PolarHBondContact O-N 3.2Å; S418-G420 VanDerWaalsContact C-N 3.32Å; S418-G420 PolarHBondContact O-N 3.4Å; G420-Q424 VanDerWaalsContact O-CG 3.26Å; G420-Q424 WeakPolarHBondContact O-CG 3.45Å; G420-Q424 PolarHBondContact O-N 3.24Å
421	S	85.4	Confident	84.8	Confident	63 Å²	63	45.8 Å²	45.8	44%	0.441	24%	0.24	S	C	.	.	H	α-helix	trans	-67.9	-40.7	-179.5	-176.2	0	0	0	0	113.2	S418 V419 Q424 T425	S418-S421 PolarHBondContact O-N 2.96Å; V419-S421 VanDerWaalsContact C-N 3.29Å; V419-S421 PolarHBondContact O-N 3.33Å; S421-Q424 PolarHBondContact O-N 3.47Å; S421-T425 WeakPolarHBondContact O-CB 3.29Å; S421-T425 PolarHBondContact O-N 2.9Å; S421-T425 PolarHBondContact O-OG1 3.43Å
422	Y	89.2	Confident	83.9	Confident	50 Å²	50	46.9 Å²	46.9	20%	0.196	25%	0.246	C	C	.	.	H	α-helix	trans	-72.1	-35	-179.3	-65.7	-61.7	0	0	0	113.1	K277 L281 S418 V419 T425 L426	K277-Y422 HydrophobicContact CB-CD1 4.44Å; K277-Y422 HydrophobicContact CB-CD2 4.11Å; K277-Y422 HydrophobicContact CB-CG 4.13Å; K277-Y422 HydrophobicContact CD-CD1 3.82Å; K277-Y422 HydrophobicContact CD-CD2 3.87Å; K277-Y422 HydrophobicContact CD-CE1 3.4Å; K277-Y422 HydrophobicContact CD-CE2 3.49Å; K277-Y422 VanDerWaalsContact CD-CE2 3.49Å; K277-Y422 HydrophobicContact CD-CG 4.08Å; K277-Y422 VanDerWaalsContact NZ-CZ 3.28Å; K277-Y422 PolarHBondContact NZ-OH 2.98Å; L281-Y422 HydrophobicContact CD1-CD2 3.85Å; L281-Y422 HydrophobicContact CD1-CE2 4.18Å; S418-Y422 WeakPolarHBondContact O-CD2 3.14Å; S418-Y422 WeakPolarHBondContact O-CE2 3.17Å; S418-Y422 PolarHBondContact O-N 2.95Å; V419-Y422 PolarHBondContact O-N 3.07Å; Y422-T425 PolarHBondContact O-N 2.97Å; Y422-L426 WeakPolarHBondContact O-CB 3.43Å; Y422-L426 PolarHBondContact O-N 3.21Å
423	V	85.3	Confident	82.9	Confident	20 Å²	20	48.1 Å²	48.1	12%	0.121	25%	0.252	C	S	.	.	H	α-helix	trans	-64.8	-44	174	173.4	0	0	0	0	110.6	V278 Y282 M300 I304 V419 T425 L426 V427	V278-V423 HydrophobicContact CG1-CG2 4.12Å; V278-V423 HydrophobicContact CG2-CG2 3.84Å; Y282-V423 HydrophobicContact CE2-CG2 4.48Å; M300-V423 HydrophobicContact CE-CG2 4.23Å; M300-V423 HydrophobicContact SD-CB 4.02Å; M300-V423 HydrophobicContact SD-CG1 3.93Å; M300-V423 HydrophobicContact SD-CG2 4.15Å; I304-V423 HydrophobicContact CD1-CG1 4.28Å; V419-V423 HydrophobicContact CG1-CG2 3.99Å; V419-V423 WeakPolarHBondContact O-CG2 3.42Å; V419-V423 PolarHBondContact O-N 3.39Å; V423-T425 VanDerWaalsContact C-N 3.33Å; V423-T425 PolarHBondContact O-N 3.31Å; V423-L426 WeakPolarHBondContact O-CB 3.46Å; V423-L426 PolarHBondContact O-N 3.39Å; V423-V427 WeakPolarHBondContact O-CG2 3.48Å; V423-V427 PolarHBondContact O-N 3.23Å
424	Q	81.4	Confident	81.8	Confident	38 Å²	38	48.6 Å²	48.6	18%	0.178	26%	0.255	C	S	.	.	H	α-helix	trans	-58.7	-46.5	174.9	-72.2	174.7	-17.2	0	0	111.5	E307 G420 S421 L426 V427 Y428	E307-Q424 WeakPolarHBondContact OE2-CG 3.26Å; G420-Q424 VanDerWaalsContact O-CG 3.26Å; G420-Q424 WeakPolarHBondContact O-CG 3.45Å; G420-Q424 PolarHBondContact O-N 3.24Å; S421-Q424 PolarHBondContact O-N 3.47Å; Q424-L426 VanDerWaalsContact C-N 3.28Å; Q424-L426 PolarHBondContact O-N 3.37Å; Q424-V427 PolarHBondContact O-N 3.25Å; Q424-Y428 WeakPolarHBondContact O-CB 3.41Å; Q424-Y428 PolarHBondContact O-N 3.48Å
425	T	86.3	Confident	80.3	Confident	44 Å²	44	49.5 Å²	49.5	27%	0.27	27%	0.266	S	S	.	.	H	α-helix	trans	-57.7	-41.3	176.3	-57.7	0	0	0	0	111.6	V270 S421 Y422 V423 Y428 I429	V270-T425 HydrophobicContact CG1-CG2 3.57Å; S421-T425 WeakPolarHBondContact O-CB 3.29Å; S421-T425 PolarHBondContact O-N 2.9Å; S421-T425 PolarHBondContact O-OG1 3.43Å; Y422-T425 PolarHBondContact O-N 2.97Å; V423-T425 VanDerWaalsContact C-N 3.33Å; V423-T425 PolarHBondContact O-N 3.31Å; T425-Y428 PolarHBondContact O-N 3.23Å; T425-I429 HydrophobicContact CG2-CD1 3.62Å; T425-I429 HydrophobicContact CG2-CG1 4.45Å; T425-I429 WeakPolarHBondContact O-CD1 3.44Å; T425-I429 VanDerWaalsContact O-CG1 3.25Å; T425-I429 WeakPolarHBondContact O-CG1 3.38Å; T425-I429 PolarHBondContact O-N 3.02Å
426	L	84.6	Confident	78.9	Confident	44 Å²	44	53 Å²	53	23%	0.23	29%	0.285	C	S	.	.	H	α-helix	trans	-65.2	-43.3	178.5	-172.3	63.6	0	0	0	112.4	L271 Y422 V423 Q424 Y430	L271-L426 HydrophobicContact CD1-CD1 3.5Å; Y422-L426 WeakPolarHBondContact O-CB 3.43Å; Y422-L426 PolarHBondContact O-N 3.21Å; V423-L426 WeakPolarHBondContact O-CB 3.46Å; V423-L426 PolarHBondContact O-N 3.39Å; Q424-L426 VanDerWaalsContact C-N 3.28Å; Q424-L426 PolarHBondContact O-N 3.37Å; L426-Y430 PolarHBondContact O-N 3.46Å; L426-Y430 VanDerWaalsContact O-N 3.16Å
427	V	80.5	Confident	78	Confident	62 Å²	62	52.4 Å²	52.4	38%	0.376	28%	0.282	S	S	.	.	H	α-helix	trans	-63.2	-43.5	176.6	173.1	0	0	0	0	110.9	I304 V423 Q424 G431	I304-V427 HydrophobicContact CD1-CG2 4.25Å; I304-V427 HydrophobicContact CG1-CG2 4.29Å; V423-V427 WeakPolarHBondContact O-CG2 3.48Å; V423-V427 PolarHBondContact O-N 3.23Å; Q424-V427 PolarHBondContact O-N 3.25Å; V427-G431 PolarHBondContact O-N 3.09Å
428	Y	79.1	Confident	77.3	Confident	134 Å²	134	47.7 Å²	47.7	53%	0.525	27%	0.268	S	S	.	.	H	α-helix	trans	-61.8	-49.7	177.9	175	-99.5	0	0	0	112.1	Q424 T425 Y430 G431 D432	Q424-Y428 WeakPolarHBondContact O-CB 3.41Å; Q424-Y428 PolarHBondContact O-N 3.48Å; T425-Y428 PolarHBondContact O-N 3.23Å; Y428-Y430 VanDerWaalsContact C-N 3.3Å; Y428-Y430 PolarHBondContact O-N 2.91Å; Y428-G431 WeakPolarHBondContact O-CA 3.49Å; Y428-G431 PolarHBondContact O-N 2.82Å; Y428-D432 HydrophobicContact CE1-CB 4.4Å; Y428-D432 PolarHBondContact O-N 3.39Å
429	I	81.9	Confident	76.7	Confident	6 Å²	6	46.8 Å²	46.8	3%	0.031	26%	0.263	C	S	.	.	H	α-helix	trans	-64	-36	-177.3	-69.9	162.2	0	0	0	112	V270 L271 T425 G431 D432 M433	V270-I429 HydrophobicContact CB-CD1 3.57Å; V270-I429 HydrophobicContact CG1-CD1 3.26Å; L271-I429 HydrophobicContact CB-CG2 4.13Å; L271-I429 HydrophobicContact CD1-CG2 4.02Å; T425-I429 HydrophobicContact CG2-CD1 3.62Å; T425-I429 HydrophobicContact CG2-CG1 4.45Å; T425-I429 WeakPolarHBondContact O-CD1 3.44Å; T425-I429 VanDerWaalsContact O-CG1 3.25Å; T425-I429 WeakPolarHBondContact O-CG1 3.38Å; T425-I429 PolarHBondContact O-N 3.02Å; I429-G431 VanDerWaalsContact C-N 3.26Å; I429-G431 PolarHBondContact O-N 2.7Å; I429-D432 PolarHBondContact O-N 2.92Å; I429-M433 HydrophobicContact CG2-CE 4.48Å; I429-M433 HydrophobicContact CG2-CG 4.17Å; I429-M433 HydrophobicContact CG2-SD 4.49Å; I429-M433 WeakPolarHBondContact O-CB 3.5Å; I429-M433 PolarHBondContact O-N 3.12Å
430	Y	73.1	Confident	76.5	Confident	162 Å²	162	47 Å²	47	64%	0.635	27%	0.265	S	S	*	.	H	α-helix	trans	-61.2	-38.9	175.4	-175.1	-95.2	0	0	0	111.7	L426 Y428 L434	L426-Y430 PolarHBondContact O-N 3.46Å; L426-Y430 VanDerWaalsContact O-N 3.16Å; Y428-Y430 VanDerWaalsContact C-N 3.3Å; Y428-Y430 PolarHBondContact O-N 2.91Å; Y430-L434 HydrophobicContact CD1-CD1 4.3Å; Y430-L434 HydrophobicContact CE1-CD1 3.84Å
431	G	69.3	Low	76.6	Confident	39 Å²	39	50.4 Å²	50.4	40%	0.402	28%	0.276	S	S	.	.	H	α-helix	trans	-67.1	-46.4	172.4	0	0	0	0	0	112.7	V427 Y428 I429 L434 S435	V427-G431 PolarHBondContact O-N 3.09Å; Y428-G431 WeakPolarHBondContact O-CA 3.49Å; Y428-G431 PolarHBondContact O-N 2.82Å; I429-G431 VanDerWaalsContact C-N 3.26Å; I429-G431 PolarHBondContact O-N 2.7Å; G431-L434 PolarHBondContact O-N 3.47Å; G431-S435 PolarHBondContact O-N 3.06Å; G431-S435 PolarHBondContact O-OG 3.23Å
432	D	72.3	Confident	76.5	Confident	26 Å²	26	52 Å²	52	14%	0.139	28%	0.276	C	S	.	.	H	α-helix	trans	-63.6	-41	-178.5	-166	83.1	0	0	0	113	Y428 I429 L434 S435 N436	Y428-D432 HydrophobicContact CE1-CB 4.4Å; Y428-D432 PolarHBondContact O-N 3.39Å; I429-D432 PolarHBondContact O-N 2.92Å; D432-L434 PolarHBondContact O-N 2.98Å; D432-S435 PolarHBondContact O-N 3.44Å; D432-S435 VanDerWaalsContact O-N 3.17Å; D432-S435 PolarHBondContact O-OG 3.36Å; D432-N436 PolarHBondContact O-N 3.15Å; D432-N436 VanDerWaalsContact O-N 3.14Å; D432-N436 PolarHBondContact OD1-ND2 3Å; D432-N436 PolarHBondContact OD2-ND2 3.32Å
433	M	70	Confident	76.5	Confident	26 Å²	26	49.7 Å²	49.7	13%	0.128	27%	0.266	C	S	.	.	H	α-helix	trans	-58.9	-28.1	176.2	-88	-165.9	170.1	0	0	112.6	M138 W263 N267 L271 I429	M138-M433 HydrophobicContact CE-SD 4.13Å; W263-M433 WeakPolarHBondContact CH2-O 3.24Å; W263-M433 HydrophobicContact CZ2-CB 4.37Å; W263-M433 HydrophobicContact CZ2-CG 4.44Å; W263-M433 WeakPolarHBondContact CZ2-O 3.12Å; N267-M433 HydrophobicContact CB-CE 3.58Å; N267-M433 HydrophobicContact CB-CG 4.15Å; L271-M433 HydrophobicContact CB-CE 4.38Å; L271-M433 HydrophobicContact CD2-CE 3.83Å; L271-M433 HydrophobicContact CD2-SD 4.22Å; I429-M433 HydrophobicContact CG2-CE 4.48Å; I429-M433 HydrophobicContact CG2-CG 4.17Å; I429-M433 HydrophobicContact CG2-SD 4.49Å; I429-M433 WeakPolarHBondContact O-CB 3.5Å; I429-M433 PolarHBondContact O-N 3.12Å
434	L	64.8	Low	76.7	Confident	48 Å²	48	48.8 Å²	48.8	25%	0.251	26%	0.261	S	S	.	.	H	α-helix	trans	-88.9	-26.5	179.6	-69	169.9	0	0	0	112.9	N134 Y430 G431 D432	N134-L434 PolarHBondContact ND2-O 3.21Å; N134-L434 VanDerWaalsContact ND2-O 3.08Å; Y430-L434 HydrophobicContact CD1-CD1 4.3Å; Y430-L434 HydrophobicContact CE1-CD1 3.84Å; G431-L434 PolarHBondContact O-N 3.47Å; D432-L434 PolarHBondContact O-N 2.98Å
435	S	58.8	Low	77.1	Confident	75 Å²	75	50.3 Å²	50.3	52%	0.524	28%	0.275	S	S	.	.	H	α-helix	trans	-92.6	-26.3	-173.9	59.8	0	0	0	0	114.5	G431 D432	G431-S435 PolarHBondContact O-N 3.06Å; G431-S435 PolarHBondContact O-OG 3.23Å; D432-S435 PolarHBondContact O-N 3.44Å; D432-S435 VanDerWaalsContact O-N 3.17Å; D432-S435 PolarHBondContact O-OG 3.36Å
436	N	62.7	Low	77.2	Confident	72 Å²	72	49.6 Å²	49.6	39%	0.385	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	18.6	-167.9	-75.1	-17	0	0	0	115.3	W263 D432 G438	W263-N436 HydrophobicContact CZ2-CB 4.33Å; D432-N436 PolarHBondContact O-N 3.15Å; D432-N436 VanDerWaalsContact O-N 3.14Å; D432-N436 PolarHBondContact OD1-ND2 3Å; D432-N436 PolarHBondContact OD2-ND2 3.32Å; N436-G438 VanDerWaalsContact C-N 3.27Å; N436-G438 PolarHBondContact O-N 3.44Å
437	V	69.7	Low	77.5	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.018	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-15	179.7	-174.1	0	0	0	0	112.8	N134 L137 M138 W263 A439 A440 E441	N134-V437 HydrophobicContact CB-CB 4.26Å; N134-V437 HydrophobicContact CB-CG1 4.3Å; N134-V437 HydrophobicContact CB-CG2 3.95Å; N134-V437 WeakPolarHBondContact OD1-CB 3.31Å; L137-V437 HydrophobicContact CB-CG1 3.63Å; L137-V437 HydrophobicContact CD1-CG1 3.5Å; L137-V437 HydrophobicContact CG-CG1 4.21Å; M138-V437 HydrophobicContact CG-CG2 4.39Å; W263-V437 HydrophobicContact CH2-CG2 3.91Å; W263-V437 HydrophobicContact CZ2-CG2 4.18Å; V437-A439 VanDerWaalsContact C-N 3.3Å; V437-A439 PolarHBondContact O-N 3.38Å; V437-A440 WeakPolarHBondContact O-CB 3.49Å; V437-A440 PolarHBondContact O-N 2.96Å; V437-E441 PolarHBondContact O-N 3.25Å
438	G	71	Confident	78	Confident	29 Å²	29	49.4 Å²	49.4	30%	0.299	27%	0.265	S	S	.	.	H	α-helix	trans	-62.5	-26.9	-175.8	0	0	0	0	0	115.6	N436 K442	N436-G438 VanDerWaalsContact C-N 3.27Å; N436-G438 PolarHBondContact O-N 3.44Å; G438-K442 WeakPolarHBondContact O-CG 3.28Å; G438-K442 PolarHBondContact O-N 2.87Å
439	A	75.3	Confident	78.5	Confident	22 Å²	22	46.1 Å²	46.1	18%	0.182	25%	0.251	C	S	.	.	H	α-helix	trans	-71.1	-41.2	173.1	0	0	0	0	0	111.4	L259 V437 K442 V443	L259-A439 HydrophobicContact CB-CB 4.36Å; V437-A439 VanDerWaalsContact C-N 3.3Å; V437-A439 PolarHBondContact O-N 3.38Å; A439-K442 PolarHBondContact O-N 3.26Å; A439-V443 WeakPolarHBondContact O-CG2 3.31Å; A439-V443 PolarHBondContact O-N 3.09Å; A439-V443 VanDerWaalsContact O-N 3.16Å
440	A	83.1	Confident	78.7	Confident	7 Å²	7	53.8 Å²	53.8	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-66.7	-40.3	176.6	0	0	0	0	0	111.3	M260 V437 K442 V443 F444	M260-A440 HydrophobicContact CE-CB 4.38Å; M260-A440 HydrophobicContact CG-CB 3.94Å; M260-A440 HydrophobicContact SD-CB 4.23Å; V437-A440 WeakPolarHBondContact O-CB 3.49Å; V437-A440 PolarHBondContact O-N 2.96Å; A440-K442 VanDerWaalsContact C-N 3.34Å; A440-K442 PolarHBondContact O-N 3.45Å; A440-V443 PolarHBondContact O-N 3.24Å; A440-F444 HydrophobicContact CB-CD2 4.31Å; A440-F444 HydrophobicContact CB-CE2 4.29Å; A440-F444 WeakPolarHBondContact O-CB 3.49Å; A440-F444 WeakPolarHBondContact O-CD2 3.44Å; A440-F444 WeakPolarHBondContact O-CG 3.21Å; A440-F444 PolarHBondContact O-N 2.94Å
441	E	84.9	Confident	79.4	Confident	89 Å²	89	48.3 Å²	48.3	42%	0.416	27%	0.271	S	S	.	.	H	α-helix	trans	-55.4	-47.9	175.5	-174.5	-179	-167.7	0	0	111.7	L137 V437 F444 S445	L137-E441 HydrophobicContact CD1-CB 3.87Å; L137-E441 HydrophobicContact CD1-CG 4.17Å; V437-E441 PolarHBondContact O-N 3.25Å; E441-F444 PolarHBondContact O-N 2.89Å; E441-S445 WeakPolarHBondContact O-CB 3.29Å; E441-S445 PolarHBondContact O-N 3.32Å
442	K	83.4	Confident	79.9	Confident	97 Å²	97	53 Å²	53	42%	0.422	29%	0.287	S	S	.	.	H	α-helix	trans	-64.6	-45.1	178.9	-66.5	177.2	-162.2	175.8	0	111.9	G438 A439 A440 F444 S445 Y446	G438-K442 WeakPolarHBondContact O-CG 3.28Å; G438-K442 PolarHBondContact O-N 2.87Å; A439-K442 PolarHBondContact O-N 3.26Å; A440-K442 VanDerWaalsContact C-N 3.34Å; A440-K442 PolarHBondContact O-N 3.45Å; K442-F444 VanDerWaalsContact C-N 3.32Å; K442-F444 PolarHBondContact O-N 3.44Å; K442-S445 PolarHBondContact O-N 3.32Å; K442-S445 PolarHBondContact O-OG 3.3Å; K442-Y446 WeakPolarHBondContact O-CD2 3.47Å; K442-Y446 PolarHBondContact O-N 2.94Å
443	V	89.1	Confident	80.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.4	-42.5	177.8	172.1	0	0	0	0	111	I225 L229 D256 T257 M260 A439 A440 Y446 M447	I225-V443 HydrophobicContact CG2-CG1 3.98Å; L229-V443 HydrophobicContact CD2-CG1 4.28Å; D256-V443 HydrophobicContact CB-CG2 3.81Å; T257-V443 HydrophobicContact CG2-CG1 4.42Å; T257-V443 HydrophobicContact CG2-CG2 4.34Å; M260-V443 HydrophobicContact CE-CG1 4.35Å; M260-V443 HydrophobicContact SD-CB 3.59Å; M260-V443 VanDerWaalsContact SD-CB 3.59Å; M260-V443 HydrophobicContact SD-CG1 3.54Å; M260-V443 VanDerWaalsContact SD-CG1 3.54Å; M260-V443 HydrophobicContact SD-CG2 4.03Å; A439-V443 WeakPolarHBondContact O-CG2 3.31Å; A439-V443 PolarHBondContact O-N 3.09Å; A439-V443 VanDerWaalsContact O-N 3.16Å; A440-V443 PolarHBondContact O-N 3.24Å; V443-Y446 PolarHBondContact O-N 3.41Å; V443-M447 HydrophobicContact CG1-CE 4.37Å; V443-M447 WeakPolarHBondContact O-CB 3.19Å; V443-M447 PolarHBondContact O-N 3.29Å
444	F	89.9	Confident	80.3	Confident	2 Å²	2	57 Å²	57	1%	0.009	31%	0.312	C	S	.	.	H	α-helix	trans	-67.2	-35.2	177.2	-75.3	-51.5	0	0	0	112.7	L137 R140 L141 L144 M260 A440 E441 K442 Y446 M447 D448	L137-F444 HydrophobicContact CD2-CB 4.32Å; L137-F444 HydrophobicContact CD2-CD2 3.6Å; L137-F444 HydrophobicContact CD2-CE2 4.31Å; L137-F444 HydrophobicContact CD2-CG 4.32Å; R140-F444 HydrophobicContact CB-CE2 4.45Å; R140-F444 HydrophobicContact CB-CZ 4.22Å; R140-F444 HydrophobicContact CG-CE1 3.98Å; R140-F444 HydrophobicContact CG-CE2 4.36Å; R140-F444 HydrophobicContact CG-CZ 3.76Å; L141-F444 HydrophobicContact CD1-CZ 4.43Å; L144-F444 HydrophobicContact CD1-CE1 3.67Å; L144-F444 HydrophobicContact CD1-CZ 3.63Å; M260-F444 HydrophobicContact CE-CD1 4.22Å; M260-F444 HydrophobicContact CE-CD2 3.97Å; M260-F444 HydrophobicContact CE-CE1 3.62Å; M260-F444 HydrophobicContact CE-CE2 3.38Å; M260-F444 HydrophobicContact CE-CG 4.38Å; M260-F444 HydrophobicContact CE-CZ 3.17Å; A440-F444 HydrophobicContact CB-CD2 4.31Å; A440-F444 HydrophobicContact CB-CE2 4.29Å; A440-F444 WeakPolarHBondContact O-CB 3.49Å; A440-F444 WeakPolarHBondContact O-CD2 3.44Å; A440-F444 WeakPolarHBondContact O-CG 3.21Å; A440-F444 PolarHBondContact O-N 2.94Å; E441-F444 PolarHBondContact O-N 2.89Å; K442-F444 VanDerWaalsContact C-N 3.32Å; K442-F444 PolarHBondContact O-N 3.44Å; F444-Y446 VanDerWaalsContact C-N 3.31Å; F444-Y446 PolarHBondContact O-N 3.01Å; F444-M447 HydrophobicContact CD1-SD 4.28Å; F444-M447 HydrophobicContact CE1-SD 4.4Å; F444-M447 PolarHBondContact O-N 2.96Å; F444-M447 VanDerWaalsContact O-N 3.12Å; F444-D448 VanDerWaalsContact O-CB 3.27Å; F444-D448 WeakPolarHBondContact O-CB 3.39Å; F444-D448 VanDerWaalsContact O-CG 3.25Å; F444-D448 PolarHBondContact O-N 3.11Å
445	S	89.8	Confident	80.9	Confident	69 Å²	69	59.7 Å²	59.7	48%	0.483	34%	0.335	S	S	.	.	H	α-helix	trans	-61.6	-38.4	177.4	74.3	0	0	0	0	112.3	E441 K442 R449	E441-S445 WeakPolarHBondContact O-CB 3.29Å; E441-S445 PolarHBondContact O-N 3.32Å; K442-S445 PolarHBondContact O-N 3.32Å; K442-S445 PolarHBondContact O-OG 3.3Å; S445-R449 WeakPolarHBondContact O-CB 3.28Å; S445-R449 PolarHBondContact O-N 2.97Å
446	Y	88.9	Confident	81.8	Confident	29 Å²	29	60.9 Å²	60.9	11%	0.114	34%	0.341	C	S	.	.	H	α-helix	trans	-71.9	-39.1	171.7	-69.2	-77.6	0	0	0	112.6	S232 L233 F240 E248 L249 R252 K442 V443 F444 D448	S232-Y446 PolarHBondContact OG-O 3.44Å; L233-Y446 HydrophobicContact CD2-CD1 4.12Å; F240-Y446 AromaticContact CE2-CD1 3.67Å; F240-Y446 HydrophobicContact CE2-CD1 3.67Å; F240-Y446 AromaticContact CE2-CE1 3.49Å; F240-Y446 HydrophobicContact CE2-CE1 3.49Å; F240-Y446 VanDerWaalsContact CE2-CE1 3.49Å; F240-Y446 AromaticContact CZ-CD1 3.41Å; F240-Y446 HydrophobicContact CZ-CD1 3.41Å; F240-Y446 VanDerWaalsContact CZ-CD1 3.41Å; F240-Y446 AromaticContact CZ-CE1 3.37Å; F240-Y446 HydrophobicContact CZ-CE1 3.37Å; E248-Y446 PolarHBondContact OE1-OH 3.24Å; L249-Y446 HydrophobicContact CD2-CE1 4.35Å; R252-Y446 HydrophobicContact CG-CD2 4.25Å; R252-Y446 HydrophobicContact CG-CE2 3.73Å; K442-Y446 WeakPolarHBondContact O-CD2 3.47Å; K442-Y446 PolarHBondContact O-N 2.94Å; V443-Y446 PolarHBondContact O-N 3.41Å; F444-Y446 VanDerWaalsContact C-N 3.31Å; F444-Y446 PolarHBondContact O-N 3.01Å; Y446-D448 VanDerWaalsContact C-N 3.33Å; Y446-D448 PolarHBondContact O-N 2.92Å
447	M	90.1	Very high	82.8	Confident	25 Å²	25	58.2 Å²	58.2	12%	0.123	33%	0.331	C	S	.	.	H	α-helix	trans	-66.4	-36.4	-178.6	-169.2	176.9	-67.9	0	0	112.3	I225 Q228 L229 S232 V443 F444	I225-M447 HydrophobicContact CG2-CE 4.38Å; Q228-M447 HydrophobicContact CB-CE 3.85Å; Q228-M447 HydrophobicContact CB-SD 4.31Å; L229-M447 HydrophobicContact CB-CE 4.32Å; S232-M447 PolarHBondContact OG-O 3.49Å; V443-M447 HydrophobicContact CG1-CE 4.37Å; V443-M447 WeakPolarHBondContact O-CB 3.19Å; V443-M447 PolarHBondContact O-N 3.29Å; F444-M447 HydrophobicContact CD1-SD 4.28Å; F444-M447 HydrophobicContact CE1-SD 4.4Å; F444-M447 PolarHBondContact O-N 2.96Å; F444-M447 VanDerWaalsContact O-N 3.12Å
448	D	90.4	Very high	83.9	Confident	77 Å²	77	64.2 Å²	64.2	41%	0.412	37%	0.368	S	S	.	.	H	α-helix	trans	-89	-15.3	-178	-68.3	-30.7	0	0	0	114.4	R140 F444 Y446 Q450	R140-D448 IonicContact CZ-OD1 2.61Å; R140-D448 VanDerWaalsContact CZ-OD1 3.22Å; R140-D448 IonicContact CZ-OD2 3.01Å; R140-D448 IonicContact NH1-OD1 2.9Å; R140-D448 PolarHBondContact NH1-OD1 2.84Å; R140-D448 IonicContact NH1-OD2 2.78Å; R140-D448 PolarHBondContact NH1-OD2 2.88Å; R140-D448 IonicContact NH2-OD1 2.91Å; R140-D448 PolarHBondContact NH2-OD1 3.39Å; R140-D448 IonicContact NH2-OD2 3.1Å; F444-D448 VanDerWaalsContact O-CB 3.27Å; F444-D448 WeakPolarHBondContact O-CB 3.39Å; F444-D448 VanDerWaalsContact O-CG 3.25Å; F444-D448 PolarHBondContact O-N 3.11Å; Y446-D448 VanDerWaalsContact C-N 3.33Å; Y446-D448 PolarHBondContact O-N 2.92Å; D448-Q450 PolarHBondContact O-N 3.26Å
449	R	89.6	Confident	84.9	Confident	66 Å²	66	65.1 Å²	65.1	25%	0.249	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-56.6	119	179.1	-173.7	178.9	-177.7	-88.7	-0.1	108.6	Q236 D237 S445	Q236-R449 PolarHBondContact NE2-O 3.38Å; Q236-R449 PolarHBondContact OE1-O 3.36Å; D237-R449 IonicContact OD1-NH2 3.6Å; D237-R449 IonicContact OD2-CZ 3.88Å; D237-R449 VanDerWaalsContact OD2-CZ 3.29Å; D237-R449 IonicContact OD2-NH1 3.05Å; D237-R449 PolarHBondContact OD2-NH1 3.32Å; D237-R449 IonicContact OD2-NH2 3.84Å; D237-R449 PolarHBondContact OD2-NH2 3.24Å; S445-R449 WeakPolarHBondContact O-CB 3.28Å; S445-R449 PolarHBondContact O-N 2.97Å
450	Q	87.8	Confident	85.6	Confident	166 Å²	166	66.4 Å²	66.4	78%	0.776	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-83.7	131.3	170.9	-66	-174.1	-2.3	0	0	108.4	D448	D448-Q450 PolarHBondContact O-N 3.26Å
451	P	85.9	Confident	86	Confident	47 Å²	47	67.8 Å²	67.8	31%	0.305	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-63.3	143.1	176.4	24.7	-32.5	0	0	0	110.6	R235 L453	R235-P451 VanDerWaalsContact O-CB 3.32Å; R235-P451 WeakPolarHBondContact O-CB 3.26Å; R235-P451 WeakPolarHBondContact O-CG 3.44Å; P451-L453 HydrophobicContact CB-CB 4.4Å; P451-L453 HydrophobicContact CB-CD1 4.27Å; P451-L453 HydrophobicContact CB-CG 4.41Å; P451-L453 PolarHBondContact O-N 3.43Å
452	N	81.4	Confident	86.1	Confident	139 Å²	139	70.5 Å²	70.5	74%	0.743	41%	0.407	S	S	*	.	S	Bend	trans	-79	51.8	171.4	-72.9	-18.1	0	0	0	111
453	L	75.9	Confident	86.2	Confident	70 Å²	70	71.3 Å²	71.3	37%	0.366	42%	0.42	S	S	.	.	S	Bend	trans	-122.3	142.8	177.5	-68.5	167.6	0	0	0	108.7	D237 P451	D237-L453 HydrophobicContact CB-CD1 4.18Å; D237-L453 HydrophobicContact CB-CG 4.04Å; P451-L453 HydrophobicContact CB-CB 4.4Å; P451-L453 HydrophobicContact CB-CD1 4.27Å; P451-L453 HydrophobicContact CB-CG 4.41Å; P451-L453 PolarHBondContact O-N 3.43Å
454	P	74.3	Confident	86.3	Confident	64 Å²	64	71.7 Å²	71.7	42%	0.416	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-57.8	150.4	170.6	24	-30.8	0	0	0	109.8	Q521	P454-Q521 HydrophobicContact CG-CG 4.08Å
455	S	76.3	Confident	86.2	Confident	105 Å²	105	78.2 Å²	78.2	73%	0.734	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-54.2	138	173.6	-67.2	0	0	0	0	109.4	G457	S455-G457 PolarHBondContact O-N 2.97Å
456	P	77.7	Confident	86.2	Confident	101 Å²	101	75 Å²	75	66%	0.656	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-55.9	131.4	-178.7	21.8	-31.5	0	0	0	109.5
457	G	85.5	Confident	86.5	Confident	16 Å²	16	74.8 Å²	74.8	17%	0.165	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-65.7	169.5	175	0	0	0	0	0	112	S455 Q536 Y537 E538	S455-G457 PolarHBondContact O-N 2.97Å; G457-Q536 CarbonylContact C-O 3.37Å; G457-Q536 VanDerWaalsContact CA-O 3.25Å; G457-Q536 WeakPolarHBondContact CA-O 3.5Å; G457-Y537 PolarHBondContact N-O 3.04Å; G457-E538 VanDerWaalsContact O-CA 3.23Å; G457-E538 WeakPolarHBondContact O-CA 3.31Å
458	T	92	Very high	86.8	Confident	129 Å²	129	73.6 Å²	73.6	79%	0.791	43%	0.426	S	S	*	.			trans	-113.4	1	-178.2	51.8	0	0	0	0	113	A460 Q536	T458-A460 PolarHBondContact O-N 3.5Å; T458-Q536 PolarHBondContact N-O 3.26Å
459	L	91.3	Very high	87.1	Confident	48 Å²	48	72.5 Å²	72.5	25%	0.251	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-76.2	117.3	-178.7	-62.8	172.4	0	0	0	111	K532 Q536 Y537 E538	L459-K532 HydrophobicContact CD1-CB 4.43Å; L459-K532 HydrophobicContact CD1-CD 3.67Å; L459-Q536 WeakPolarHBondContact CB-O 3.43Å; L459-Q536 HydrophobicContact CD1-CB 3.59Å; L459-Q536 HydrophobicContact CG-CB 4.39Å; L459-Q536 WeakPolarHBondContact CG-O 3.37Å; L459-Q536 PolarHBondContact N-O 2.96Å; L459-Q536 VanDerWaalsContact N-O 3.17Å; L459-Y537 HydrophobicContact CB-CD1 4.24Å; L459-Y537 HydrophobicContact CB-CG 4.45Å; L459-Y537 WeakPolarHBondContact O-CA 3.43Å; L459-E538 PolarHBondContact O-N 3.44Å
460	A	91.4	Very high	87.4	Confident	48 Å²	48	69.4 Å²	69.4	40%	0.397	41%	0.406	S	S	.	.			trans	-135.6	73.8	170.5	0	0	0	0	0	109.5	T458 Y541	T458-A460 PolarHBondContact O-N 3.5Å; A460-Y541 HydrophobicContact CB-CD1 4.48Å; A460-Y541 HydrophobicContact CB-CD2 3.73Å; A460-Y541 HydrophobicContact CB-CE2 4.34Å; A460-Y541 HydrophobicContact CB-CG 3.8Å
461	P	91.4	Very high	87.8	Confident	37 Å²	37	64.8 Å²	64.8	24%	0.24	38%	0.384	C	S	.	.			trans	-64.2	143.6	-179.2	24.1	-30.3	0	0	0	111.5	T463 L464 Y537 Y541	P461-T463 PolarHBondContact O-N 3.01Å; P461-L464 HydrophobicContact CG-CD1 4.29Å; P461-Y537 HydrophobicContact CG-CE1 3.97Å; P461-Y541 HydrophobicContact CG-CE1 4.15Å; P461-Y541 WeakPolarHBondContact CG-OH 3.1Å; P461-Y541 VanDerWaalsContact O-CE2 3.22Å; P461-Y541 WeakPolarHBondContact O-CE2 3.47Å; P461-Y541 VanDerWaalsContact O-CZ 3.23Å; P461-Y541 PolarHBondContact O-OH 3.45Å
462	T	85.9	Confident	88.2	Confident	145 Å²	145	67.4 Å²	67.4	89%	0.89	40%	0.396	S	S	*	.	S	Bend	trans	-64.8	-28.6	179.7	48.7	0	0	0	0	112.9
463	T	86.1	Confident	88.9	Confident	115 Å²	115	60.8 Å²	60.8	71%	0.706	36%	0.36	S	S	*	.			trans	-131	132.6	179.3	53	0	0	0	0	109.6	P461	P461-T463 PolarHBondContact O-N 3.01Å
464	L	89.8	Confident	89.8	Confident	8 Å²	8	59.3 Å²	59.3	4%	0.042	36%	0.356	C	S	.	.			trans	-123.6	128.8	177.8	-167.9	82.2	0	0	0	108.3	P461 L529 D530 Y537 Q545 R626	P461-L464 HydrophobicContact CG-CD1 4.29Å; L464-L529 HydrophobicContact CD1-CD2 4.05Å; L464-L529 HydrophobicContact CD1-CG 4.11Å; L464-L529 HydrophobicContact CD2-CD1 4.35Å; L464-L529 HydrophobicContact CD2-CD2 3.99Å; L464-L529 HydrophobicContact CD2-CG 4.39Å; L464-D530 WeakPolarHBondContact CD1-OD2 3.5Å; L464-D530 WeakPolarHBondContact CG-OD2 3.49Å; L464-Y537 HydrophobicContact CD1-CE1 4.09Å; L464-Q545 HydrophobicContact CD2-CB 3.77Å; L464-Q545 HydrophobicContact CD2-CG 4.04Å; L464-R626 HydrophobicContact CB-CG 4.28Å; L464-R626 HydrophobicContact CD2-CB 3.95Å; L464-R626 HydrophobicContact CD2-CG 4.23Å; L464-R626 WeakPolarHBondContact O-CD 3.34Å
465	Q	88.9	Confident	90.8	Very high	139 Å²	139	56.5 Å²	56.5	65%	0.65	34%	0.337	S	S	*	.			trans	-76.2	-36.5	176.1	-66.1	-174.6	-7.7	0	0	110.5	V467 P495 D530	Q465-V467 HydrophobicContact CB-CG2 4.31Å; Q465-P495 WeakPolarHBondContact O-CG 3.15Å; Q465-D530 PolarHBondContact N-OD2 3.35Å
466	G	90.3	Very high	91.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.307	C	S	.	.			trans	91.6	22.4	177.4	0	0	0	0	0	113.7	V468 D530 T655	G466-V468 PolarHBondContact O-N 3.2Å; G466-D530 PolarHBondContact N-OD1 3.48Å; G466-D530 PolarHBondContact N-OD2 3.45Å; G466-T655 WeakPolarHBondContact O-CB 3.49Å; G466-T655 PolarHBondContact O-OG1 3.21Å
467	V	94.8	Very high	92.2	Very high	25 Å²	25	50.2 Å²	50.2	15%	0.152	29%	0.287	C	S	.	.			trans	-78.3	118.9	175.5	-177.7	0	0	0	0	108.8	Q465 K469 T492 P495 L529 D530	Q465-V467 HydrophobicContact CB-CG2 4.31Å; V467-K469 HydrophobicContact CG1-CG 4.39Å; V467-T492 HydrophobicContact CG1-CG2 4.11Å; V467-P495 HydrophobicContact CG2-CG 3.8Å; V467-L529 CarbonylContact O-C 3.52Å; V467-L529 WeakPolarHBondContact O-CA 3.42Å; V467-D530 PolarHBondContact N-OD1 3.14Å; V467-D530 PolarHBondContact O-N 3.34Å
468	V	95.9	Very high	92.2	Very high	1 Å²	1	53 Å²	53	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.5	176.5	-177.6	0	0	0	0	109.9	G466 F470 T492 L493 L516 V527 L528 L529 V627	G466-V468 PolarHBondContact O-N 3.2Å; V468-F470 HydrophobicContact CG1-CD2 4.09Å; V468-F470 HydrophobicContact CG1-CE2 3.89Å; V468-T492 CarbonylContact O-C 3.59Å; V468-T492 VanDerWaalsContact O-CA 3.26Å; V468-T492 WeakPolarHBondContact O-CA 3.26Å; V468-T492 WeakPolarHBondContact O-CG2 3.25Å; V468-L493 HydrophobicContact CB-CB 4.06Å; V468-L493 HydrophobicContact CB-CD1 4.08Å; V468-L493 HydrophobicContact CB-CG 4.23Å; V468-L493 HydrophobicContact CG1-CD1 4.38Å; V468-L493 HydrophobicContact CG2-CD1 4.4Å; V468-L493 PolarHBondContact N-O 3.42Å; V468-L493 PolarHBondContact O-N 3.01Å; V468-L516 HydrophobicContact CB-CD2 4.2Å; V468-L516 HydrophobicContact CG1-CD2 3.43Å; V468-L516 VanDerWaalsContact CG1-CD2 3.43Å; V468-L516 HydrophobicContact CG1-CG 4.44Å; V468-L516 HydrophobicContact CG2-CD2 3.86Å; V468-V527 HydrophobicContact CG1-CG1 4.32Å; V468-L528 CarbonylContact C-O 3.53Å; V468-L528 WeakPolarHBondContact CA-O 3.45Å; V468-L529 HydrophobicContact CG2-CD1 3.91Å; V468-V627 HydrophobicContact CG2-CG1 4.28Å; V468-V627 HydrophobicContact CG2-CG2 4.14Å
469	K	96.3	Very high	91.9	Very high	54 Å²	54	49.6 Å²	49.6	24%	0.235	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.7	173.5	-62.4	-179.6	177.9	174.2	0	111.4	V467 T492 L528 E531	V467-K469 HydrophobicContact CG1-CG 4.39Å; K469-T492 HydrophobicContact CG-CG2 3.82Å; K469-L528 HydrophobicContact CB-CB 4.27Å; K469-L528 PolarHBondContact N-O 2.72Å; K469-L528 PolarHBondContact O-N 3.39Å; K469-E531 VanDerWaalsContact CD-OE1 3.3Å; K469-E531 WeakPolarHBondContact CD-OE1 3.42Å; K469-E531 WeakPolarHBondContact CE-OE1 3.34Å; K469-E531 IonicContact NZ-OE1 3.24Å; K469-E531 PolarHBondContact NZ-OE1 3.36Å; K469-E531 IonicContact NZ-OE2 2.99Å; K469-E531 PolarHBondContact NZ-OE2 3.07Å
470	F	96.4	Very high	91.7	Very high	1 Å²	1	55.5 Å²	55.5	0%	0.004	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	125.1	164	-79.7	-112.8	0	0	0	107.8	V468 V473 T490 F491 V512 L515 L516 V527	V468-F470 HydrophobicContact CG1-CD2 4.09Å; V468-F470 HydrophobicContact CG1-CE2 3.89Å; F470-V473 HydrophobicContact CB-CG2 4.02Å; F470-V473 HydrophobicContact CD1-CB 3.87Å; F470-V473 HydrophobicContact CD1-CG1 4.07Å; F470-V473 HydrophobicContact CD1-CG2 3.67Å; F470-V473 HydrophobicContact CE1-CG1 4.37Å; F470-V473 HydrophobicContact CG-CG2 4.21Å; F470-T490 VanDerWaalsContact O-CA 3.27Å; F470-T490 WeakPolarHBondContact O-CA 3.47Å; F470-F491 HydrophobicContact CB-CD1 3.77Å; F470-F491 HydrophobicContact CB-CE1 3.67Å; F470-F491 HydrophobicContact CB-CG 4.39Å; F470-F491 HydrophobicContact CB-CZ 4.17Å; F470-F491 AromaticContact CD1-CE1 3.83Å; F470-F491 HydrophobicContact CD1-CE1 3.83Å; F470-F491 HydrophobicContact CD1-CZ 4.07Å; F470-F491 HydrophobicContact CD2-CD1 4.45Å; F470-F491 HydrophobicContact CD2-CD2 4.47Å; F470-F491 AromaticContact CD2-CE1 3.74Å; F470-F491 HydrophobicContact CD2-CE1 3.74Å; F470-F491 AromaticContact CD2-CE2 3.75Å; F470-F491 HydrophobicContact CD2-CE2 3.75Å; F470-F491 AromaticContact CD2-CZ 3.33Å; F470-F491 HydrophobicContact CD2-CZ 3.33Å; F470-F491 HydrophobicContact CE1-CE1 4.44Å; F470-F491 HydrophobicContact CE1-CZ 4.34Å; F470-F491 HydrophobicContact CE2-CE1 4.35Å; F470-F491 HydrophobicContact CE2-CE2 4.14Å; F470-F491 AromaticContact CE2-CZ 3.64Å; F470-F491 HydrophobicContact CE2-CZ 3.64Å; F470-F491 HydrophobicContact CG-CD1 4.1Å; F470-F491 AromaticContact CG-CE1 3.46Å; F470-F491 HydrophobicContact CG-CE1 3.46Å; F470-F491 VanDerWaalsContact CG-CE1 3.46Å; F470-F491 HydrophobicContact CG-CE2 4.31Å; F470-F491 AromaticContact CG-CZ 3.59Å; F470-F491 HydrophobicContact CG-CZ 3.59Å; F470-F491 HydrophobicContact CZ-CZ 4.15Å; F470-F491 PolarHBondContact N-O 3.43Å; F470-F491 PolarHBondContact O-N 2.93Å; F470-F491 VanDerWaalsContact O-N 3.16Å; F470-V512 HydrophobicContact CE1-CG1 4.2Å; F470-V512 HydrophobicContact CE2-CG1 4.39Å; F470-V512 HydrophobicContact CZ-CG1 3.83Å; F470-L515 HydrophobicContact CE1-CB 4.35Å; F470-L515 HydrophobicContact CE1-CD1 4.42Å; F470-L515 HydrophobicContact CZ-CB 4.5Å; F470-L516 HydrophobicContact CE2-CD1 4.06Å; F470-L516 HydrophobicContact CE2-CD2 4.21Å; F470-L516 HydrophobicContact CE2-CG 3.75Å; F470-L516 HydrophobicContact CZ-CD1 4.17Å; F470-L516 HydrophobicContact CZ-CG 3.81Å; F470-V527 HydrophobicContact CD1-CG2 4.02Å; F470-V527 HydrophobicContact CD2-CG1 3.98Å; F470-V527 HydrophobicContact CE1-CG1 4.25Å; F470-V527 HydrophobicContact CE1-CG2 3.77Å; F470-V527 HydrophobicContact CE2-CG1 3.67Å; F470-V527 HydrophobicContact CG-CG1 4.39Å; F470-V527 HydrophobicContact CZ-CG1 3.81Å; F470-V527 HydrophobicContact CZ-CG2 4.11Å
471	Q	95.6	Very high	91.5	Very high	69 Å²	69	57.2 Å²	57.2	32%	0.322	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	106.9	178.8	-66.1	-177.5	-6.8	0	0	110.2	V473 G525 Q526 L528	Q471-V473 PolarHBondContact O-N 2.75Å; Q471-G525 VanDerWaalsContact O-CA 3.27Å; Q471-G525 WeakPolarHBondContact O-CA 3.42Å; Q471-Q526 HydrophobicContact CB-CG 4.07Å; Q471-Q526 PolarHBondContact N-O 2.97Å; Q471-Q526 PolarHBondContact O-N 2.95Å; Q471-L528 HydrophobicContact CG-CD1 4.4Å; Q471-L528 VanDerWaalsContact NE2-CD1 3.33Å
472	D	94.8	Very high	91.4	Very high	102 Å²	102	62.6 Å²	62.6	55%	0.545	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48	41	179.7	-163.8	32.7	0	0	0	114.4	S474 G488 L489 T490 G525	D472-S474 PolarHBondContact O-N 3.12Å; D472-G488 WeakPolarHBondContact OD1-CA 3.35Å; D472-L489 PolarHBondContact N-O 3.49Å; D472-T490 PolarHBondContact N-OG1 2.68Å; D472-G525 WeakPolarHBondContact O-CA 3.38Å
473	V	96	Very high	91.6	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	122	-170.6	176.7	0	0	0	0	110.8	F470 Q471 G488 L489 L515 P522 G524 Q526 V527	F470-V473 HydrophobicContact CB-CG2 4.02Å; F470-V473 HydrophobicContact CD1-CB 3.87Å; F470-V473 HydrophobicContact CD1-CG1 4.07Å; F470-V473 HydrophobicContact CD1-CG2 3.67Å; F470-V473 HydrophobicContact CE1-CG1 4.37Å; F470-V473 HydrophobicContact CG-CG2 4.21Å; Q471-V473 PolarHBondContact O-N 2.75Å; V473-G488 WeakPolarHBondContact O-CA 3.48Å; V473-G488 PolarHBondContact O-N 2.74Å; V473-G488 VanDerWaalsContact O-N 3.1Å; V473-L489 PolarHBondContact N-O 2.79Å; V473-L489 PolarHBondContact O-N 3.22Å; V473-L515 HydrophobicContact CG1-CD1 3.91Å; V473-P522 HydrophobicContact CG1-CB 3.94Å; V473-G524 WeakPolarHBondContact CA-O 3.4Å; V473-Q526 VanDerWaalsContact CG2-O 3.25Å; V473-Q526 WeakPolarHBondContact CG2-O 3.45Å; V473-V527 HydrophobicContact CG1-CG2 4.39Å; V473-V527 HydrophobicContact CG2-CG2 3.98Å
474	S	95.1	Very high	91.8	Very high	38 Å²	38	62.1 Å²	62.1	27%	0.266	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.6	173.1	-62.4	0	0	0	0	109.8	D472 L486 G488 T523 G524	D472-S474 PolarHBondContact O-N 3.12Å; S474-L486 VanDerWaalsContact CA-O 3.32Å; S474-L486 WeakPolarHBondContact CA-O 3.24Å; S474-G488 PolarHBondContact OG-N 3.31Å; S474-T523 WeakPolarHBondContact O-CA 3.47Å; S474-T523 PolarHBondContact O-N 3.38Å; S474-G524 PolarHBondContact N-O 3.45Å; S474-G524 PolarHBondContact O-N 3.3Å
475	F	95	Very high	91.9	Very high	5 Å²	5	63.5 Å²	63.5	2%	0.022	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	136.2	-176.2	179.8	-99	0	0	0	112.8	Y477 V485 L486 T511 L515 Y520 Q521 T523	F475-Y477 AromaticContact CE1-CD1 3.84Å; F475-Y477 HydrophobicContact CE1-CD1 3.84Å; F475-Y477 AromaticContact CE1-CD2 4Å; F475-Y477 HydrophobicContact CE1-CD2 4Å; F475-Y477 AromaticContact CE1-CE1 3.91Å; F475-Y477 HydrophobicContact CE1-CE1 3.91Å; F475-Y477 HydrophobicContact CE1-CE2 4.06Å; F475-Y477 AromaticContact CE1-CG 3.88Å; F475-Y477 HydrophobicContact CE1-CG 3.88Å; F475-Y477 HydrophobicContact CZ-CD1 4.02Å; F475-Y477 HydrophobicContact CZ-CE1 4.27Å; F475-Y477 HydrophobicContact CZ-CG 4.32Å; F475-V485 PolarHBondContact O-N 2.94Å; F475-L486 HydrophobicContact CB-CB 3.99Å; F475-L486 HydrophobicContact CB-CD1 4.14Å; F475-L486 HydrophobicContact CB-CG 4.28Å; F475-L486 PolarHBondContact N-O 3.27Å; F475-L486 PolarHBondContact O-N 3.36Å; F475-L486 VanDerWaalsContact O-N 3.09Å; F475-T511 HydrophobicContact CD1-CG2 3.26Å; F475-T511 HydrophobicContact CE1-CG2 3.52Å; F475-T511 HydrophobicContact CG-CG2 4.17Å; F475-L515 HydrophobicContact CB-CD1 4.06Å; F475-L515 HydrophobicContact CD2-CD2 3.81Å; F475-L515 HydrophobicContact CE2-CD2 4.11Å; F475-L515 HydrophobicContact CG-CD1 4.26Å; F475-L515 HydrophobicContact CG-CD2 4.24Å; F475-Y520 HydrophobicContact CE2-CD1 4.46Å; F475-Y520 HydrophobicContact CE2-CG 4.11Å; F475-Y520 AromaticContact CZ-CD1 3.98Å; F475-Y520 HydrophobicContact CZ-CD1 3.98Å; F475-Y520 HydrophobicContact CZ-CD2 4.26Å; F475-Y520 AromaticContact CZ-CG 3.69Å; F475-Y520 HydrophobicContact CZ-CG 3.69Å; F475-Q521 VanDerWaalsContact CD2-O 3.28Å; F475-Q521 WeakPolarHBondContact CD2-O 3.28Å; F475-Q521 VanDerWaalsContact CE2-O 3.28Å; F475-Q521 WeakPolarHBondContact CE2-O 3.28Å; F475-T523 WeakPolarHBondContact CA-OG1 3.49Å
476	A	92.6	Very high	92.2	Very high	13 Å²	13	56.9 Å²	56.9	11%	0.107	29%	0.288	C	S	.	.			trans	-126.4	143.1	165.2	0	0	0	0	0	109.4	P481 T523	A476-P481 WeakPolarHBondContact CB-O 3.37Å; A476-T523 PolarHBondContact N-OG1 3.44Å; A476-T523 VanDerWaalsContact N-OG1 3.09Å
477	Y	90.4	Very high	92.4	Very high	61 Å²	61	60.8 Å²	60.8	24%	0.239	31%	0.305	C	S	.	.			trans	-66.4	140.9	174.7	-76.4	-80.8	0	0	0	110.1	F475 N479 R480 V485 T511 Y520	F475-Y477 AromaticContact CE1-CD1 3.84Å; F475-Y477 HydrophobicContact CE1-CD1 3.84Å; F475-Y477 AromaticContact CE1-CD2 4Å; F475-Y477 HydrophobicContact CE1-CD2 4Å; F475-Y477 AromaticContact CE1-CE1 3.91Å; F475-Y477 HydrophobicContact CE1-CE1 3.91Å; F475-Y477 HydrophobicContact CE1-CE2 4.06Å; F475-Y477 AromaticContact CE1-CG 3.88Å; F475-Y477 HydrophobicContact CE1-CG 3.88Å; F475-Y477 HydrophobicContact CZ-CD1 4.02Å; F475-Y477 HydrophobicContact CZ-CE1 4.27Å; F475-Y477 HydrophobicContact CZ-CG 4.32Å; Y477-N479 PolarHBondContact O-N 2.84Å; Y477-N479 VanDerWaalsContact O-N 3.11Å; Y477-R480 CarbonylContact O-C 3.43Å; Y477-R480 PolarHBondContact O-N 3.43Å; Y477-V485 HydrophobicContact CD2-CG2 3.81Å; Y477-V485 HydrophobicContact CE2-CG2 3.96Å; Y477-T511 HydrophobicContact CE2-CG2 4.44Å; Y477-T511 PolarHBondContact OH-OG1 3.03Å; Y477-Y520 HydrophobicContact CD1-CE1 4.24Å; Y477-Y520 HydrophobicContact CD1-CE2 4.5Å; Y477-Y520 HydrophobicContact CE1-CD2 4.43Å; Y477-Y520 HydrophobicContact CE1-CE1 4.46Å; Y477-Y520 AromaticContact CE1-CE2 3.93Å; Y477-Y520 HydrophobicContact CE1-CE2 3.93Å; Y477-Y520 AromaticContact CE1-CZ 3.95Å
478	P	86.5	Confident	92.3	Very high	75 Å²	75	61 Å²	61	49%	0.487	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-36.6	-178.4	-28.6	35.2	0	0	0	114	R480	P478-R480 PolarHBondContact O-N 2.99Å
479	N	85.2	Confident	92.1	Very high	58 Å²	58	61 Å²	61	31%	0.31	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-10.6	-178.4	-57.4	10.2	0	0	0	113	Q242 E243 Y477	Q242-N479 VanDerWaalsContact CB-ND2 3.3Å; Q242-N479 WeakPolarHBondContact CB-ND2 3.49Å; E243-N479 WeakPolarHBondContact CG-ND2 3.43Å; E243-N479 PolarHBondContact OE1-OD1 3.28Å; Y477-N479 PolarHBondContact O-N 2.84Å; Y477-N479 VanDerWaalsContact O-N 3.11Å
480	R	87.6	Confident	92.1	Very high	171 Å²	171	62.6 Å²	62.6	65%	0.645	33%	0.326	S	S	*	.			trans	-145.5	65.3	-178.7	-63.8	-175.3	-177	154.1	1.3	110.9	Y477 P478 D482 R483	Y477-R480 CarbonylContact O-C 3.43Å; Y477-R480 PolarHBondContact O-N 3.43Å; P478-R480 PolarHBondContact O-N 2.99Å; R480-D482 PolarHBondContact O-N 2.91Å; R480-R483 PolarHBondContact O-N 2.92Å
481	P	86.5	Confident	92	Very high	85 Å²	85	63.1 Å²	63.1	55%	0.552	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.5	-175.3	26.8	-34	0	0	0	112.5	A476 R483	A476-P481 WeakPolarHBondContact CB-O 3.37Å; P481-R483 PolarHBondContact O-N 3.43Å
482	D	89.3	Confident	91.9	Very high	150 Å²	150	61.8 Å²	61.8	80%	0.802	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-8.2	-178	-52.8	-45.6	0	0	0	114.1	R480 P484	R480-D482 PolarHBondContact O-N 2.91Å; D482-P484 WeakPolarHBondContact O-CD 3.45Å
483	R	89.9	Confident	91.9	Very high	182 Å²	182	56.9 Å²	56.9	69%	0.687	30%	0.299	S	S	*	.	S	Bend	trans	-117.5	86.9	-178.3	-68.7	-170.1	179.3	-171.3	0.7	110.5	R480 P481 V485	R480-R483 PolarHBondContact O-N 2.92Å; P481-R483 PolarHBondContact O-N 3.43Å; R483-V485 PolarHBondContact O-N 3.25Å
484	P	90.4	Very high	91.6	Very high	68 Å²	68	63.5 Å²	63.5	44%	0.442	32%	0.324	S	S	.	.			trans	-65.2	121.3	176.1	26.5	-33.4	0	0	0	110.4	D482 K487	D482-P484 WeakPolarHBondContact O-CD 3.45Å; P484-K487 HydrophobicContact CB-CG 4.36Å
485	V	93.6	Very high	91.4	Very high	37 Å²	37	63.5 Å²	63.5	22%	0.224	32%	0.323	C	S	.	.	S	Bend	trans	-84.9	-37.9	178.8	178.6	0	0	0	0	110.7	F475 Y477 R483 T511 G678	F475-V485 PolarHBondContact O-N 2.94Å; Y477-V485 HydrophobicContact CD2-CG2 3.81Å; Y477-V485 HydrophobicContact CE2-CG2 3.96Å; R483-V485 PolarHBondContact O-N 3.25Å; V485-T511 HydrophobicContact CG1-CG2 4.45Å; V485-G678 WeakPolarHBondContact O-CA 3.42Å
486	L	94.4	Very high	91	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135.5	178	-63.5	-174.6	0	0	0	109.4	S474 F475 L489 T511 V512 L515 L675	S474-L486 VanDerWaalsContact CA-O 3.32Å; S474-L486 WeakPolarHBondContact CA-O 3.24Å; F475-L486 HydrophobicContact CB-CB 3.99Å; F475-L486 HydrophobicContact CB-CD1 4.14Å; F475-L486 HydrophobicContact CB-CG 4.28Å; F475-L486 PolarHBondContact N-O 3.27Å; F475-L486 PolarHBondContact O-N 3.36Å; F475-L486 VanDerWaalsContact O-N 3.09Å; L486-L489 HydrophobicContact CB-CD1 3.48Å; L486-L489 VanDerWaalsContact CB-CD1 3.48Å; L486-L489 HydrophobicContact CD1-CD1 4.2Å; L486-L489 HydrophobicContact CD2-CD1 3.65Å; L486-L489 HydrophobicContact CD2-CD2 4.47Å; L486-L489 HydrophobicContact CG-CD1 3.93Å; L486-T511 HydrophobicContact CD1-CG2 3.86Å; L486-T511 HydrophobicContact CG-CG2 4.12Å; L486-V512 HydrophobicContact CD1-CG2 4.14Å; L486-V512 HydrophobicContact CD2-CG2 4.25Å; L486-L515 HydrophobicContact CD1-CD1 3.5Å; L486-L515 VanDerWaalsContact CD1-CD1 3.5Å; L486-L675 HydrophobicContact CD2-CD2 4.43Å
487	K	93.8	Very high	90.6	Very high	82 Å²	82	66.9 Å²	66.9	36%	0.357	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	87.3	-170.5	-61	170.7	-172	156.7	0	110.2	P484 E677 G678 K679	P484-K487 HydrophobicContact CB-CG 4.36Å; K487-E677 PolarHBondContact NZ-O 3.16Å; K487-E677 VanDerWaalsContact NZ-O 3.16Å; K487-G678 PolarHBondContact N-O 3.4Å; K487-K679 HydrophobicContact CB-CG 3.9Å; K487-K679 HydrophobicContact CD-CG 4.46Å
488	G	92.1	Very high	90.5	Very high	28 Å²	28	65 Å²	65	29%	0.289	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	64.9	49.2	174.8	0	0	0	0	0	114.5	D472 V473 S474	D472-G488 WeakPolarHBondContact OD1-CA 3.35Å; V473-G488 WeakPolarHBondContact O-CA 3.48Å; V473-G488 PolarHBondContact O-N 2.74Å; V473-G488 VanDerWaalsContact O-N 3.1Å; S474-G488 PolarHBondContact OG-N 3.31Å
489	L	93.6	Very high	90.6	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	128.8	176.8	-79.4	93.5	0	0	0	111.4	D472 V473 L486 F491 V512 L675 G678 L680	D472-L489 PolarHBondContact N-O 3.49Å; V473-L489 PolarHBondContact N-O 2.79Å; V473-L489 PolarHBondContact O-N 3.22Å; L486-L489 HydrophobicContact CB-CD1 3.48Å; L486-L489 VanDerWaalsContact CB-CD1 3.48Å; L486-L489 HydrophobicContact CD1-CD1 4.2Å; L486-L489 HydrophobicContact CD2-CD1 3.65Å; L486-L489 HydrophobicContact CD2-CD2 4.47Å; L486-L489 HydrophobicContact CG-CD1 3.93Å; L489-F491 HydrophobicContact CB-CD1 4.42Å; L489-F491 HydrophobicContact CB-CE1 4.32Å; L489-F491 HydrophobicContact CD2-CD1 4.4Å; L489-F491 HydrophobicContact CD2-CE1 3.91Å; L489-V512 HydrophobicContact CD2-CG2 4.18Å; L489-L675 HydrophobicContact CD2-CD1 3.69Å; L489-L675 HydrophobicContact CG-CD1 4.34Å; L489-G678 VanDerWaalsContact CD1-O 3.28Å; L489-G678 WeakPolarHBondContact CD1-O 3.44Å; L489-L680 HydrophobicContact CD2-CD1 4.34Å; L489-L680 HydrophobicContact CD2-CG 4.19Å; L489-L680 HydrophobicContact CG-CD1 4.49Å; L489-L680 HydrophobicContact CG-CG 4.42Å
490	T	94.6	Very high	90.8	Very high	88 Å²	88	58.7 Å²	58.7	54%	0.54	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	116.9	172.8	-58.6	0	0	0	0	110.3	F470 D472 L680	F470-T490 VanDerWaalsContact O-CA 3.27Å; F470-T490 WeakPolarHBondContact O-CA 3.47Å; D472-T490 PolarHBondContact N-OG1 2.68Å; T490-L680 WeakPolarHBondContact O-CD1 3.46Å
491	F	94.4	Very high	90.9	Very high	12 Å²	12	50.6 Å²	50.6	5%	0.053	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	169.8	175.5	64.6	-83.5	0	0	0	110.8	F470 L489 L493 V512 L673 L680	F470-F491 HydrophobicContact CB-CD1 3.77Å; F470-F491 HydrophobicContact CB-CE1 3.67Å; F470-F491 HydrophobicContact CB-CG 4.39Å; F470-F491 HydrophobicContact CB-CZ 4.17Å; F470-F491 AromaticContact CD1-CE1 3.83Å; F470-F491 HydrophobicContact CD1-CE1 3.83Å; F470-F491 HydrophobicContact CD1-CZ 4.07Å; F470-F491 HydrophobicContact CD2-CD1 4.45Å; F470-F491 HydrophobicContact CD2-CD2 4.47Å; F470-F491 AromaticContact CD2-CE1 3.74Å; F470-F491 HydrophobicContact CD2-CE1 3.74Å; F470-F491 AromaticContact CD2-CE2 3.75Å; F470-F491 HydrophobicContact CD2-CE2 3.75Å; F470-F491 AromaticContact CD2-CZ 3.33Å; F470-F491 HydrophobicContact CD2-CZ 3.33Å; F470-F491 HydrophobicContact CE1-CE1 4.44Å; F470-F491 HydrophobicContact CE1-CZ 4.34Å; F470-F491 HydrophobicContact CE2-CE1 4.35Å; F470-F491 HydrophobicContact CE2-CE2 4.14Å; F470-F491 AromaticContact CE2-CZ 3.64Å; F470-F491 HydrophobicContact CE2-CZ 3.64Å; F470-F491 HydrophobicContact CG-CD1 4.1Å; F470-F491 AromaticContact CG-CE1 3.46Å; F470-F491 HydrophobicContact CG-CE1 3.46Å; F470-F491 VanDerWaalsContact CG-CE1 3.46Å; F470-F491 HydrophobicContact CG-CE2 4.31Å; F470-F491 AromaticContact CG-CZ 3.59Å; F470-F491 HydrophobicContact CG-CZ 3.59Å; F470-F491 HydrophobicContact CZ-CZ 4.15Å; F470-F491 PolarHBondContact N-O 3.43Å; F470-F491 PolarHBondContact O-N 2.93Å; F470-F491 VanDerWaalsContact O-N 3.16Å; L489-F491 HydrophobicContact CB-CD1 4.42Å; L489-F491 HydrophobicContact CB-CE1 4.32Å; L489-F491 HydrophobicContact CD2-CD1 4.4Å; L489-F491 HydrophobicContact CD2-CE1 3.91Å; F491-L493 HydrophobicContact CD2-CD2 3.96Å; F491-L493 HydrophobicContact CD2-CG 4.27Å; F491-L493 HydrophobicContact CE2-CD1 4.38Å; F491-L493 HydrophobicContact CE2-CD2 3.81Å; F491-L493 HydrophobicContact CE2-CG 3.97Å; F491-V512 HydrophobicContact CZ-CG1 3.85Å; F491-L673 HydrophobicContact CB-CD1 4.15Å; F491-L673 HydrophobicContact CB-CD2 4.29Å; F491-L673 HydrophobicContact CD2-CD1 3.43Å; F491-L673 VanDerWaalsContact CD2-CD1 3.43Å; F491-L673 HydrophobicContact CE2-CD1 3.88Å; F491-L673 HydrophobicContact CG-CD1 3.79Å; F491-L680 HydrophobicContact CB-CD1 3.94Å; F491-L680 HydrophobicContact CD1-CD1 3.59Å; F491-L680 HydrophobicContact CE1-CD1 4.49Å; F491-L680 HydrophobicContact CG-CD1 4.12Å
492	T	94.6	Very high	90.9	Very high	41 Å²	41	47.4 Å²	47.4	25%	0.252	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137.4	178.8	-56.4	0	0	0	0	109.5	V467 V468 K469 R494 Q671	V467-T492 HydrophobicContact CG1-CG2 4.11Å; V468-T492 CarbonylContact O-C 3.59Å; V468-T492 VanDerWaalsContact O-CA 3.26Å; V468-T492 WeakPolarHBondContact O-CA 3.26Å; V468-T492 WeakPolarHBondContact O-CG2 3.25Å; K469-T492 HydrophobicContact CG-CG2 3.82Å; T492-R494 HydrophobicContact CG2-CG 4.28Å; T492-Q671 PolarHBondContact O-OE1 2.84Å
493	L	93.6	Very high	90.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	130.1	169.2	-49.6	176.3	0	0	0	108	V468 F491 T499 L516 T655 L657	V468-L493 HydrophobicContact CB-CB 4.06Å; V468-L493 HydrophobicContact CB-CD1 4.08Å; V468-L493 HydrophobicContact CB-CG 4.23Å; V468-L493 HydrophobicContact CG1-CD1 4.38Å; V468-L493 HydrophobicContact CG2-CD1 4.4Å; V468-L493 PolarHBondContact N-O 3.42Å; V468-L493 PolarHBondContact O-N 3.01Å; F491-L493 HydrophobicContact CD2-CD2 3.96Å; F491-L493 HydrophobicContact CD2-CG 4.27Å; F491-L493 HydrophobicContact CE2-CD1 4.38Å; F491-L493 HydrophobicContact CE2-CD2 3.81Å; F491-L493 HydrophobicContact CE2-CG 3.97Å; L493-T499 HydrophobicContact CD2-CG2 3.59Å; L493-L516 HydrophobicContact CD1-CD1 4.35Å; L493-T655 HydrophobicContact CB-CG2 3.51Å; L493-T655 HydrophobicContact CD1-CG2 4.47Å; L493-L657 HydrophobicContact CD1-CB 4.2Å; L493-L657 HydrophobicContact CD1-CD1 4.41Å; L493-L657 HydrophobicContact CD1-CD2 4.36Å; L493-L657 HydrophobicContact CD2-CD1 4.18Å
494	R	91.5	Very high	90.3	Very high	139 Å²	139	34.4 Å²	34.4	53%	0.525	20%	0.198	S	C	.	.			trans	-109.6	146.8	-173.8	-62.6	175.6	178.3	-116.6	0.4	111.4	T492 E497 T655	T492-R494 HydrophobicContact CG2-CG 4.28Å; R494-E497 HydrophobicContact CB-CB 4.37Å; R494-E497 HydrophobicContact CB-CG 4.22Å; R494-E497 WeakPolarHBondContact CD-OE1 3.49Å; R494-E497 WeakPolarHBondContact CD-OE2 3.28Å; R494-E497 PolarHBondContact O-N 3.42Å; R494-T655 PolarHBondContact O-OG1 3.35Å
495	P	90.6	Very high	89.9	Confident	37 Å²	37	37.7 Å²	37.7	24%	0.24	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	142	171.1	-22.2	33.6	0	0	0	111.5	Q465 V467 E497 D653 T655	Q465-P495 WeakPolarHBondContact O-CG 3.15Å; V467-P495 HydrophobicContact CG2-CG 3.8Å; P495-E497 PolarHBondContact O-N 3.33Å; P495-D653 HydrophobicContact CB-CB 3.97Å; P495-T655 VanDerWaalsContact CA-OG1 3.31Å; P495-T655 WeakPolarHBondContact CA-OG1 3.41Å
496	G	85.3	Confident	89.4	Confident	29 Å²	29	39.8 Å²	39.8	30%	0.299	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	-11	-177.3	0	0	0	0	0	114.2	R654	G496-R654 WeakPolarHBondContact CA-O 3.28Å; G496-R654 PolarHBondContact N-O 3.22Å
497	E	85.4	Confident	88.9	Confident	60 Å²	60	39.9 Å²	39.9	28%	0.28	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-102.2	137	-178.3	-67.1	178.2	-169.4	0	0	111.9	R494 P495 V656 H670	R494-E497 HydrophobicContact CB-CB 4.37Å; R494-E497 HydrophobicContact CB-CG 4.22Å; R494-E497 WeakPolarHBondContact CD-OE1 3.49Å; R494-E497 WeakPolarHBondContact CD-OE2 3.28Å; R494-E497 PolarHBondContact O-N 3.42Å; P495-E497 PolarHBondContact O-N 3.33Å; E497-V656 PolarHBondContact O-N 2.9Å; E497-H670 HydrophobicContact CB-CB 4.18Å; E497-H670 HydrophobicContact CG-CB 4.28Å
498	V	87.1	Confident	88.7	Confident	23 Å²	23	36.3 Å²	36.3	14%	0.139	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	116	168	-177.4	0	0	0	0	108.3	N649 V656 V658 A669 H670 Q671	V498-N649 WeakPolarHBondContact CG2-ND2 3.48Å; V498-V656 HydrophobicContact CG1-CG1 4.44Å; V498-V656 HydrophobicContact CG2-CB 4.33Å; V498-V658 HydrophobicContact CG1-CG2 3.78Å; V498-A669 HydrophobicContact CG1-CB 4.48Å; V498-A669 CarbonylContact O-C 3.57Å; V498-H670 PolarHBondContact N-ND1 3.11Å; V498-H670 PolarHBondContact O-N 2.6Å; V498-Q671 PolarHBondContact O-N 3.12Å
499	T	89.6	Confident	88.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.1	176.2	-56.9	0	0	0	0	110.5	L493 V656 L657 V658 Q671 L673	L493-T499 HydrophobicContact CD2-CG2 3.59Å; T499-V656 PolarHBondContact N-O 3.38Å; T499-L657 HydrophobicContact CG2-CD1 4.31Å; T499-L657 WeakPolarHBondContact O-CA 3.46Å; T499-V658 PolarHBondContact O-N 3.34Å; T499-Q671 CarbonylContact C-O 3.58Å; T499-Q671 VanDerWaalsContact CA-O 3.31Å; T499-Q671 WeakPolarHBondContact CA-O 3.5Å; T499-Q671 HydrophobicContact CG2-CB 4.12Å; T499-Q671 HydrophobicContact CG2-CG 4.16Å; T499-L673 HydrophobicContact CG2-CD1 3.69Å; T499-L673 HydrophobicContact CG2-CG 3.91Å
500	A	88.4	Confident	88.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.7	173.3	0	0	0	0	0	111.4	V502 V658 V666 A669 Q671 I672 L673	A500-V502 HydrophobicContact CB-CG2 4.48Å; A500-V658 CarbonylContact C-O 3.18Å; A500-V658 VanDerWaalsContact CA-O 3.29Å; A500-V658 WeakPolarHBondContact CA-O 3.27Å; A500-V666 HydrophobicContact CB-CG1 4.46Å; A500-V666 HydrophobicContact CB-CG2 4.33Å; A500-A669 HydrophobicContact CB-CB 3.52Å; A500-Q671 PolarHBondContact N-O 3.21Å; A500-I672 CarbonylContact O-C 3.57Å; A500-I672 WeakPolarHBondContact O-CA 3.26Å; A500-L673 PolarHBondContact O-N 3.36Å
501	L	89.4	Confident	88.3	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	115.3	172.3	-176.3	66.7	0	0	0	110	K509 V512 L657 V658 I659 A660 L673 L675	L501-K509 HydrophobicContact CD2-CB 4.05Å; L501-K509 HydrophobicContact CD2-CG 4.35Å; L501-K509 HydrophobicContact CG-CG 4.36Å; L501-V512 HydrophobicContact CD2-CB 4.06Å; L501-V512 HydrophobicContact CD2-CG1 4.2Å; L501-V512 HydrophobicContact CD2-CG2 4.18Å; L501-L657 HydrophobicContact CB-CD1 4.08Å; L501-V658 PolarHBondContact N-O 3.16Å; L501-I659 HydrophobicContact CB-CG1 4.33Å; L501-I659 HydrophobicContact CD2-CG1 4.28Å; L501-A660 PolarHBondContact O-N 3.33Å; L501-L673 WeakPolarHBondContact CA-O 3.25Å; L501-L673 HydrophobicContact CD1-CB 3.73Å; L501-L675 HydrophobicContact CD1-CB 4.05Å
502	V	86.9	Confident	88.2	Confident	18 Å²	18	33.9 Å²	33.9	11%	0.109	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	145.1	-172.2	-170.6	0	0	0	0	110.4	A500 V666 I672 L673 V674 L675	A500-V502 HydrophobicContact CB-CG2 4.48Å; V502-V666 HydrophobicContact CG2-CB 4.44Å; V502-V666 HydrophobicContact CG2-CG1 4.05Å; V502-V666 HydrophobicContact CG2-CG2 3.46Å; V502-V666 VanDerWaalsContact CG2-CG2 3.46Å; V502-I672 HydrophobicContact CG2-CG2 4.35Å; V502-L673 PolarHBondContact N-O 2.91Å; V502-V674 CarbonylContact O-C 3.4Å; V502-V674 WeakPolarHBondContact O-CA 3.4Å; V502-L675 PolarHBondContact O-N 2.86Å
503	G	84.9	Confident	88.2	Confident	3 Å²	3	32.1 Å²	32.1	3%	0.031	20%	0.199	C	C	.	.			trans	169.5	165.6	175.3	0	0	0	0	0	112.8	K509 H661 L675	G503-K509 PolarHBondContact O-NZ 3.39Å; G503-H661 PolarHBondContact O-CE1 3.45Å; G503-H661 VanDerWaalsContact O-CE1 3.27Å; G503-L675 WeakPolarHBondContact CA-O 3.49Å
504	P	81.9	Confident	88.1	Confident	56 Å²	56	32.7 Å²	32.7	36%	0.364	20%	0.204	S	C	.	.			trans	-63	165.9	179.2	26.6	-33.6	0	0	0	112.4	G506 S507 K509	P504-G506 PolarHBondContact O-N 2.97Å; P504-S507 WeakPolarHBondContact O-CB 3.35Å; P504-S507 PolarHBondContact O-N 3.08Å; P504-S507 PolarHBondContact O-OG 2.79Å; P504-S507 VanDerWaalsContact O-OG 3.05Å; P504-K509 PolarHBondContact O-NZ 2.91Å; P504-K509 VanDerWaalsContact O-NZ 3.13Å
505	N	82.5	Confident	88.2	Confident	137 Å²	137	26.2 Å²	26.2	73%	0.733	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	136.9	174.8	-68.5	-2.3	0	0	0	109.8	S507 H661	N505-S507 VanDerWaalsContact C-N 3.33Å; N505-S507 PolarHBondContact O-N 3.4Å; N505-H661 PolarHBondContact OD1-CE1 2.67Å; N505-H661 VanDerWaalsContact OD1-CE1 3.23Å
506	G	81.8	Confident	88.4	Confident	80 Å²	80	24.5 Å²	24.5	83%	0.825	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.1	5.3	-176.5	0	0	0	0	0	115.7	P504 G508	P504-G506 PolarHBondContact O-N 2.97Å; G506-G508 PolarHBondContact O-N 3.42Å
507	S	85.8	Confident	88.7	Confident	3 Å²	3	24.7 Å²	24.7	2%	0.021	16%	0.161	C	C	.	.	S	Bend	trans	-71.8	-12.8	176.8	69	0	0	0	0	114.9	P504 N505 K509 L675 G678	P504-S507 WeakPolarHBondContact O-CB 3.35Å; P504-S507 PolarHBondContact O-N 3.08Å; P504-S507 PolarHBondContact O-OG 2.79Å; P504-S507 VanDerWaalsContact O-OG 3.05Å; N505-S507 VanDerWaalsContact C-N 3.33Å; N505-S507 PolarHBondContact O-N 3.4Å; S507-K509 WeakPolarHBondContact OG-CG 3.26Å; S507-L675 VanDerWaalsContact CB-O 3.28Å; S507-L675 WeakPolarHBondContact CB-O 3.4Å; S507-L675 WeakPolarHBondContact O-CD2 3.44Å; S507-L675 WeakPolarHBondContact O-CG 3.4Å; S507-L675 PolarHBondContact OG-O 3.4Å; S507-G678 PolarHBondContact O-N 3.32Å
508	G	88.1	Confident	89	Confident	7 Å²	7	23.1 Å²	23.1	7%	0.072	16%	0.155	C	C	.	.	S	Bend	trans	106	14.5	177.6	0	0	0	0	0	115.7	G506 T511 V512	G506-G508 PolarHBondContact O-N 3.42Å; G508-T511 WeakPolarHBondContact O-CB 3.28Å; G508-T511 PolarHBondContact O-N 3.03Å; G508-V512 PolarHBondContact O-N 3.09Å; G508-V512 VanDerWaalsContact O-N 3.12Å
509	K	90	Very high	89.2	Confident	11 Å²	11	24.7 Å²	24.7	5%	0.048	16%	0.162	C	C	.	.	H	α-helix	trans	-60.5	-52.9	-176.3	-50.5	-175.9	-59.3	-80.6	0	113.4	L501 G503 P504 S507 T511 V512 A513 I659 H661 L675	L501-K509 HydrophobicContact CD2-CB 4.05Å; L501-K509 HydrophobicContact CD2-CG 4.35Å; L501-K509 HydrophobicContact CG-CG 4.36Å; G503-K509 PolarHBondContact O-NZ 3.39Å; P504-K509 PolarHBondContact O-NZ 2.91Å; P504-K509 VanDerWaalsContact O-NZ 3.13Å; S507-K509 WeakPolarHBondContact OG-CG 3.26Å; K509-T511 PolarHBondContact O-N 2.87Å; K509-V512 WeakPolarHBondContact O-CB 3.37Å; K509-V512 PolarHBondContact O-N 3.18Å; K509-A513 PolarHBondContact O-N 2.93Å; K509-I659 HydrophobicContact CB-CD1 4.31Å; K509-I659 HydrophobicContact CB-CG2 3.57Å; K509-I659 HydrophobicContact CD-CG2 3.74Å; K509-I659 HydrophobicContact CG-CG2 4.23Å; K509-I659 WeakPolarHBondContact O-CD1 3.48Å; K509-H661 WeakPolarHBondContact CE-NE2 3.45Å; K509-H661 PolarHBondContact NZ-CE1 3.31Å; K509-H661 VanDerWaalsContact NZ-CE1 3.33Å; K509-H661 PolarHBondContact NZ-NE2 3.45Å; K509-L675 HydrophobicContact CG-CD2 4.14Å
510	S	89.3	Confident	89.3	Confident	60 Å²	60	25.8 Å²	25.8	42%	0.42	17%	0.167	S	C	.	.	H	α-helix	trans	-64.1	-26.1	176.3	-47.8	0	0	0	0	112.4	A513 A514 D631	S510-A513 PolarHBondContact O-N 3.34Å; S510-A514 WeakPolarHBondContact O-CB 3.31Å; S510-A514 PolarHBondContact O-N 3.48Å; S510-D631 WeakPolarHBondContact CB-OD2 3.4Å; S510-D631 PolarHBondContact OG-OD2 3.31Å
511	T	92.4	Very high	89.4	Confident	7 Å²	7	28.5 Å²	28.5	4%	0.043	18%	0.179	C	C	.	.	H	α-helix	trans	-65.1	-39	171.9	-48.8	0	0	0	0	111.5	F475 Y477 V485 L486 G508 K509 A514 L515	F475-T511 HydrophobicContact CD1-CG2 3.26Å; F475-T511 HydrophobicContact CE1-CG2 3.52Å; F475-T511 HydrophobicContact CG-CG2 4.17Å; Y477-T511 HydrophobicContact CE2-CG2 4.44Å; Y477-T511 PolarHBondContact OH-OG1 3.03Å; V485-T511 HydrophobicContact CG1-CG2 4.45Å; L486-T511 HydrophobicContact CD1-CG2 3.86Å; L486-T511 HydrophobicContact CG-CG2 4.12Å; G508-T511 WeakPolarHBondContact O-CB 3.28Å; G508-T511 PolarHBondContact O-N 3.03Å; K509-T511 PolarHBondContact O-N 2.87Å; T511-A514 PolarHBondContact O-N 3.32Å; T511-L515 WeakPolarHBondContact O-CG 3.43Å; T511-L515 PolarHBondContact O-N 2.91Å
512	V	93.8	Very high	89.6	Confident	0 Å²	0	30 Å²	30	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.6	-44.9	174.4	174	0	0	0	0	110.6	F470 L486 L489 F491 L501 G508 K509 A514 L515 L516 L657	F470-V512 HydrophobicContact CE1-CG1 4.2Å; F470-V512 HydrophobicContact CE2-CG1 4.39Å; F470-V512 HydrophobicContact CZ-CG1 3.83Å; L486-V512 HydrophobicContact CD1-CG2 4.14Å; L486-V512 HydrophobicContact CD2-CG2 4.25Å; L489-V512 HydrophobicContact CD2-CG2 4.18Å; F491-V512 HydrophobicContact CZ-CG1 3.85Å; L501-V512 HydrophobicContact CD2-CB 4.06Å; L501-V512 HydrophobicContact CD2-CG1 4.2Å; L501-V512 HydrophobicContact CD2-CG2 4.18Å; G508-V512 PolarHBondContact O-N 3.09Å; G508-V512 VanDerWaalsContact O-N 3.12Å; K509-V512 WeakPolarHBondContact O-CB 3.37Å; K509-V512 PolarHBondContact O-N 3.18Å; V512-A514 VanDerWaalsContact C-N 3.35Å; V512-A514 PolarHBondContact O-N 2.89Å; V512-L515 PolarHBondContact O-N 3.42Å; V512-L516 HydrophobicContact CG1-CD1 4.09Å; V512-L516 WeakPolarHBondContact O-CB 3.41Å; V512-L516 PolarHBondContact O-N 3.31Å; V512-L657 HydrophobicContact CG1-CD2 4.41Å
513	A	92.9	Very high	89.8	Confident	3 Å²	3	34 Å²	34	3%	0.025	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-43.7	174.5	0	0	0	0	0	112.1	K509 S510 L515 L516 Q517 I629 I659	K509-A513 PolarHBondContact O-N 2.93Å; S510-A513 PolarHBondContact O-N 3.34Å; A513-L515 PolarHBondContact O-N 3.46Å; A513-L516 WeakPolarHBondContact O-CB 3.47Å; A513-L516 PolarHBondContact O-N 2.93Å; A513-Q517 WeakPolarHBondContact O-CG 3.2Å; A513-Q517 PolarHBondContact O-N 3.43Å; A513-I629 HydrophobicContact CB-CG2 3.84Å; A513-I659 HydrophobicContact CB-CD1 3.96Å
514	A	92.6	Very high	90.2	Very high	12 Å²	12	35.1 Å²	35.1	10%	0.099	23%	0.226	C	C	.	.	H	α-helix	trans	-65.3	-37.3	179.4	0	0	0	0	0	113	S510 T511 V512 Q517 N518 L519 Y520	S510-A514 WeakPolarHBondContact O-CB 3.31Å; S510-A514 PolarHBondContact O-N 3.48Å; T511-A514 PolarHBondContact O-N 3.32Å; V512-A514 VanDerWaalsContact C-N 3.35Å; V512-A514 PolarHBondContact O-N 2.89Å; A514-Q517 PolarHBondContact O-N 3.26Å; A514-N518 PolarHBondContact O-N 3.44Å; A514-L519 HydrophobicContact CB-CB 4.39Å; A514-L519 HydrophobicContact CB-CD1 4.46Å; A514-L519 WeakPolarHBondContact O-CB 3.28Å; A514-L519 PolarHBondContact O-N 3.35Å; A514-Y520 HydrophobicContact CB-CD2 3.88Å; A514-Y520 HydrophobicContact CB-CE2 4.17Å
515	L	93.8	Very high	90.7	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-68.9	-40.4	174.9	-70.7	176.4	0	0	0	112.3	F470 V473 F475 L486 T511 V512 A513 Q517 N518 Y520 V527	F470-L515 HydrophobicContact CE1-CB 4.35Å; F470-L515 HydrophobicContact CE1-CD1 4.42Å; F470-L515 HydrophobicContact CZ-CB 4.5Å; V473-L515 HydrophobicContact CG1-CD1 3.91Å; F475-L515 HydrophobicContact CB-CD1 4.06Å; F475-L515 HydrophobicContact CD2-CD2 3.81Å; F475-L515 HydrophobicContact CE2-CD2 4.11Å; F475-L515 HydrophobicContact CG-CD1 4.26Å; F475-L515 HydrophobicContact CG-CD2 4.24Å; L486-L515 HydrophobicContact CD1-CD1 3.5Å; L486-L515 VanDerWaalsContact CD1-CD1 3.5Å; T511-L515 WeakPolarHBondContact O-CG 3.43Å; T511-L515 PolarHBondContact O-N 2.91Å; V512-L515 PolarHBondContact O-N 3.42Å; A513-L515 PolarHBondContact O-N 3.46Å; L515-Q517 VanDerWaalsContact C-N 3.26Å; L515-Q517 PolarHBondContact O-N 2.84Å; L515-N518 PolarHBondContact O-N 3.13Å; L515-Y520 WeakPolarHBondContact CD2-O 3.48Å; L515-V527 HydrophobicContact CB-CG2 4.49Å
516	L	93.9	Very high	91.3	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-57.6	-40	172.9	-98.3	155.3	0	0	0	112.5	V468 F470 L493 V512 A513 N518 I629 L657	V468-L516 HydrophobicContact CB-CD2 4.2Å; V468-L516 HydrophobicContact CG1-CD2 3.43Å; V468-L516 VanDerWaalsContact CG1-CD2 3.43Å; V468-L516 HydrophobicContact CG1-CG 4.44Å; V468-L516 HydrophobicContact CG2-CD2 3.86Å; F470-L516 HydrophobicContact CE2-CD1 4.06Å; F470-L516 HydrophobicContact CE2-CD2 4.21Å; F470-L516 HydrophobicContact CE2-CG 3.75Å; F470-L516 HydrophobicContact CZ-CD1 4.17Å; F470-L516 HydrophobicContact CZ-CG 3.81Å; L493-L516 HydrophobicContact CD1-CD1 4.35Å; V512-L516 HydrophobicContact CG1-CD1 4.09Å; V512-L516 WeakPolarHBondContact O-CB 3.41Å; V512-L516 PolarHBondContact O-N 3.31Å; A513-L516 WeakPolarHBondContact O-CB 3.47Å; A513-L516 PolarHBondContact O-N 2.93Å; L516-N518 PolarHBondContact O-N 3.43Å; L516-I629 HydrophobicContact CB-CD1 3.75Å; L516-I629 HydrophobicContact CD1-CD1 4.07Å; L516-I629 HydrophobicContact CG-CD1 4.39Å; L516-L657 HydrophobicContact CD1-CD2 3.44Å; L516-L657 VanDerWaalsContact CD1-CD2 3.44Å
517	Q	92.2	Very high	92	Very high	33 Å²	33	28.8 Å²	28.8	15%	0.154	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	4	176.2	-67.8	-172.2	-60.2	0	0	113.4	A513 A514 L515 L519 H543 V546 S548 I629	A513-Q517 WeakPolarHBondContact O-CG 3.2Å; A513-Q517 PolarHBondContact O-N 3.43Å; A514-Q517 PolarHBondContact O-N 3.26Å; L515-Q517 VanDerWaalsContact C-N 3.26Å; L515-Q517 PolarHBondContact O-N 2.84Å; Q517-L519 HydrophobicContact CB-CD1 4.16Å; Q517-L519 HydrophobicContact CB-CG 3.78Å; Q517-L519 PolarHBondContact O-N 3.43Å; Q517-L519 VanDerWaalsContact O-N 3.11Å; Q517-H543 PolarHBondContact O-CE1 3.24Å; Q517-H543 PolarHBondContact O-NE2 3.37Å; Q517-V546 HydrophobicContact CG-CG1 4.47Å; Q517-S548 VanDerWaalsContact CD-CB 3.41Å; Q517-I629 HydrophobicContact CG-CD1 4.09Å
518	N	92.4	Very high	92.4	Very high	27 Å²	27	29 Å²	29	14%	0.144	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	26.2	-176.5	-155.4	32.9	0	0	0	114.1	A514 L515 L516 Y520 Q521 I534 L542	A514-N518 PolarHBondContact O-N 3.44Å; L515-N518 PolarHBondContact O-N 3.13Å; L516-N518 PolarHBondContact O-N 3.43Å; N518-Y520 VanDerWaalsContact C-N 3.28Å; N518-Q521 PolarHBondContact OD1-NE2 3.33Å; N518-I534 HydrophobicContact CB-CG2 3.61Å; N518-L542 HydrophobicContact CB-CD2 3.49Å; N518-L542 VanDerWaalsContact CB-CD2 3.49Å
519	L	90.8	Very high	92.8	Very high	57 Å²	57	28.8 Å²	28.8	30%	0.298	18%	0.176	S	C	.	.	S	Bend	trans	-73.8	-26.1	177.3	-64.7	-178.1	0	0	0	111.6	L238 A514 Q517	L238-L519 HydrophobicContact CD1-CB 3.75Å; L238-L519 HydrophobicContact CD1-CD1 4.23Å; L238-L519 HydrophobicContact CD1-CD2 4.29Å; L238-L519 HydrophobicContact CD1-CG 4.3Å; A514-L519 HydrophobicContact CB-CB 4.39Å; A514-L519 HydrophobicContact CB-CD1 4.46Å; A514-L519 WeakPolarHBondContact O-CB 3.28Å; A514-L519 PolarHBondContact O-N 3.35Å; Q517-L519 HydrophobicContact CB-CD1 4.16Å; Q517-L519 HydrophobicContact CB-CG 3.78Å; Q517-L519 PolarHBondContact O-N 3.43Å; Q517-L519 VanDerWaalsContact O-N 3.11Å
520	Y	91	Very high	92.9	Very high	23 Å²	23	29.8 Å²	29.8	9%	0.09	18%	0.182	C	C	.	.	S	Bend	trans	-132.1	153.9	169.5	-61.5	-83.2	0	0	0	109.9	L238 Q242 F475 Y477 A514 L515 N518	L238-Y520 HydrophobicContact CB-CE1 4.07Å; L238-Y520 WeakPolarHBondContact CB-OH 3.46Å; L238-Y520 HydrophobicContact CD1-CE2 4.12Å; Q242-Y520 PolarHBondContact NE2-OH 3.09Å; F475-Y520 HydrophobicContact CE2-CD1 4.46Å; F475-Y520 HydrophobicContact CE2-CG 4.11Å; F475-Y520 AromaticContact CZ-CD1 3.98Å; F475-Y520 HydrophobicContact CZ-CD1 3.98Å; F475-Y520 HydrophobicContact CZ-CD2 4.26Å; F475-Y520 AromaticContact CZ-CG 3.69Å; F475-Y520 HydrophobicContact CZ-CG 3.69Å; Y477-Y520 HydrophobicContact CD1-CE1 4.24Å; Y477-Y520 HydrophobicContact CD1-CE2 4.5Å; Y477-Y520 HydrophobicContact CE1-CD2 4.43Å; Y477-Y520 HydrophobicContact CE1-CE1 4.46Å; Y477-Y520 AromaticContact CE1-CE2 3.93Å; Y477-Y520 HydrophobicContact CE1-CE2 3.93Å; Y477-Y520 AromaticContact CE1-CZ 3.95Å; A514-Y520 HydrophobicContact CB-CD2 3.88Å; A514-Y520 HydrophobicContact CB-CE2 4.17Å; L515-Y520 WeakPolarHBondContact CD2-O 3.48Å; N518-Y520 VanDerWaalsContact C-N 3.28Å
521	Q	90.6	Very high	93.1	Very high	56 Å²	56	32 Å²	32	26%	0.262	19%	0.185	S	C	.	.			trans	-88.7	140.4	170	-64.9	-57.1	-49	0	0	110.4	P454 F475 N518	P454-Q521 HydrophobicContact CG-CG 4.08Å; F475-Q521 VanDerWaalsContact CD2-O 3.28Å; F475-Q521 WeakPolarHBondContact CD2-O 3.28Å; F475-Q521 VanDerWaalsContact CE2-O 3.28Å; F475-Q521 WeakPolarHBondContact CE2-O 3.28Å; N518-Q521 PolarHBondContact OD1-NE2 3.33Å
522	P	93.2	Very high	93.2	Very high	34 Å²	34	35.9 Å²	35.9	22%	0.221	20%	0.202	C	C	.	.			trans	-62.3	142.9	171.7	28.6	-34.3	0	0	0	110.5	V473	V473-P522 HydrophobicContact CG1-CB 3.94Å
523	T	92.1	Very high	93.2	Very high	101 Å²	101	37.2 Å²	37.2	62%	0.62	21%	0.211	S	C	*	.	S	Bend	trans	-77	-28.2	176.6	-45.9	0	0	0	0	111.5	S474 F475 A476	S474-T523 WeakPolarHBondContact O-CA 3.47Å; S474-T523 PolarHBondContact O-N 3.38Å; F475-T523 WeakPolarHBondContact CA-OG1 3.49Å; A476-T523 PolarHBondContact N-OG1 3.44Å; A476-T523 VanDerWaalsContact N-OG1 3.09Å
524	G	92.3	Very high	93.2	Very high	27 Å²	27	37.3 Å²	37.3	28%	0.278	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	160.5	173.4	0	0	0	0	0	110.9	V473 S474	V473-G524 WeakPolarHBondContact CA-O 3.4Å; S474-G524 PolarHBondContact N-O 3.45Å; S474-G524 PolarHBondContact O-N 3.3Å
525	G	94.1	Very high	93.1	Very high	45 Å²	45	38.7 Å²	38.7	46%	0.464	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	70.5	-163.4	-171.8	0	0	0	0	0	112.7	Q471 D472	Q471-G525 VanDerWaalsContact O-CA 3.27Å; Q471-G525 WeakPolarHBondContact O-CA 3.42Å; D472-G525 WeakPolarHBondContact O-CA 3.38Å
526	Q	94.5	Very high	93	Very high	85 Å²	85	42.9 Å²	42.9	40%	0.397	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	147	-179.3	59	-172.1	0.5	0	0	112.9	Q471 V473 L528	Q471-Q526 HydrophobicContact CB-CG 4.07Å; Q471-Q526 PolarHBondContact N-O 2.97Å; Q471-Q526 PolarHBondContact O-N 2.95Å; V473-Q526 VanDerWaalsContact CG2-O 3.25Å; V473-Q526 WeakPolarHBondContact CG2-O 3.45Å; Q526-L528 HydrophobicContact CB-CD2 4.46Å; Q526-L528 HydrophobicContact CG-CD2 4.08Å; Q526-L528 HydrophobicContact CG-CG 4.27Å
527	V	95.7	Very high	92.9	Very high	10 Å²	10	43.1 Å²	43.1	6%	0.061	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	123.4	170.1	-165.5	0	0	0	0	108	V468 F470 V473 L515 I534	V468-V527 HydrophobicContact CG1-CG1 4.32Å; F470-V527 HydrophobicContact CD1-CG2 4.02Å; F470-V527 HydrophobicContact CD2-CG1 3.98Å; F470-V527 HydrophobicContact CE1-CG1 4.25Å; F470-V527 HydrophobicContact CE1-CG2 3.77Å; F470-V527 HydrophobicContact CE2-CG1 3.67Å; F470-V527 HydrophobicContact CG-CG1 4.39Å; F470-V527 HydrophobicContact CZ-CG1 3.81Å; F470-V527 HydrophobicContact CZ-CG2 4.11Å; V473-V527 HydrophobicContact CG1-CG2 4.39Å; V473-V527 HydrophobicContact CG2-CG2 3.98Å; L515-V527 HydrophobicContact CB-CG2 4.49Å; V527-I534 HydrophobicContact CB-CD1 3.96Å; V527-I534 HydrophobicContact CB-CG1 4.37Å; V527-I534 HydrophobicContact CG1-CD1 3.36Å; V527-I534 HydrophobicContact CG1-CG1 4.17Å; V527-I534 PolarHBondContact O-N 3.44Å
528	L	95.6	Very high	93	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	142	-178.1	-51.4	174.2	0	0	0	110.2	V468 K469 Q471 Q526 K532 P533	V468-L528 CarbonylContact C-O 3.53Å; V468-L528 WeakPolarHBondContact CA-O 3.45Å; K469-L528 HydrophobicContact CB-CB 4.27Å; K469-L528 PolarHBondContact N-O 2.72Å; K469-L528 PolarHBondContact O-N 3.39Å; Q471-L528 HydrophobicContact CG-CD1 4.4Å; Q471-L528 VanDerWaalsContact NE2-CD1 3.33Å; Q526-L528 HydrophobicContact CB-CD2 4.46Å; Q526-L528 HydrophobicContact CG-CD2 4.08Å; Q526-L528 HydrophobicContact CG-CG 4.27Å; L528-K532 CarbonylContact C-O 3.5Å; L528-K532 VanDerWaalsContact CA-O 3.27Å; L528-K532 WeakPolarHBondContact CA-O 3.45Å; L528-P533 HydrophobicContact CD2-CB 4.24Å; L528-P533 HydrophobicContact CD2-CG 3.82Å
529	L	94.8	Very high	92.9	Very high	1 Å²	1	49 Å²	49	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	121.7	167	179.2	67.2	0	0	0	106.6	L464 V467 V468 E531 K532 I534 Y537 L542 V546 V627	L464-L529 HydrophobicContact CD1-CD2 4.05Å; L464-L529 HydrophobicContact CD1-CG 4.11Å; L464-L529 HydrophobicContact CD2-CD1 4.35Å; L464-L529 HydrophobicContact CD2-CD2 3.99Å; L464-L529 HydrophobicContact CD2-CG 4.39Å; V467-L529 CarbonylContact O-C 3.52Å; V467-L529 WeakPolarHBondContact O-CA 3.42Å; V468-L529 HydrophobicContact CG2-CD1 3.91Å; L529-E531 VanDerWaalsContact C-N 3.33Å; L529-E531 PolarHBondContact O-N 3.19Å; L529-K532 PolarHBondContact N-O 3.18Å; L529-K532 PolarHBondContact O-N 2.86Å; L529-K532 VanDerWaalsContact O-O 3.11Å; L529-I534 HydrophobicContact CB-CG1 3.96Å; L529-Y537 HydrophobicContact CB-CE2 4.01Å; L529-Y537 HydrophobicContact CD2-CE1 4.23Å; L529-Y537 HydrophobicContact CD2-CE2 4.28Å; L529-Y537 HydrophobicContact CG-CE2 4.48Å; L529-Y537 PolarHBondContact O-OH 3.27Å; L529-L542 HydrophobicContact CD2-CD1 3.91Å; L529-V546 HydrophobicContact CD2-CG2 4.31Å; L529-V627 HydrophobicContact CD1-CG2 4.19Å
530	D	93.7	Very high	92.8	Very high	33 Å²	33	50.6 Å²	50.6	18%	0.176	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	47	51.6	-175	-64	-9.8	0	0	0	113.2	L464 Q465 G466 V467 K532	L464-D530 WeakPolarHBondContact CD1-OD2 3.5Å; L464-D530 WeakPolarHBondContact CG-OD2 3.49Å; Q465-D530 PolarHBondContact N-OD2 3.35Å; G466-D530 PolarHBondContact N-OD1 3.48Å; G466-D530 PolarHBondContact N-OD2 3.45Å; V467-D530 PolarHBondContact N-OD1 3.14Å; V467-D530 PolarHBondContact O-N 3.34Å; D530-K532 PolarHBondContact O-N 3.48Å; D530-K532 VanDerWaalsContact O-N 3.13Å
531	E	93	Very high	92.9	Very high	105 Å²	105	51 Å²	51	49%	0.491	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	0.9	-175.5	-52.4	-50.6	107.5	0	0	116.9	K469 L529	K469-E531 VanDerWaalsContact CD-OE1 3.3Å; K469-E531 WeakPolarHBondContact CD-OE1 3.42Å; K469-E531 WeakPolarHBondContact CE-OE1 3.34Å; K469-E531 IonicContact NZ-OE1 3.24Å; K469-E531 PolarHBondContact NZ-OE1 3.36Å; K469-E531 IonicContact NZ-OE2 2.99Å; K469-E531 PolarHBondContact NZ-OE2 3.07Å; L529-E531 VanDerWaalsContact C-N 3.33Å; L529-E531 PolarHBondContact O-N 3.19Å
532	K	93.8	Very high	93	Very high	89 Å²	89	48.3 Å²	48.3	39%	0.387	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.3	179.4	-61.4	-173.4	-172.3	176	0	111.3	L459 L528 L529 D530 I534 Y537	L459-K532 HydrophobicContact CD1-CB 4.43Å; L459-K532 HydrophobicContact CD1-CD 3.67Å; L528-K532 CarbonylContact C-O 3.5Å; L528-K532 VanDerWaalsContact CA-O 3.27Å; L528-K532 WeakPolarHBondContact CA-O 3.45Å; L529-K532 PolarHBondContact N-O 3.18Å; L529-K532 PolarHBondContact O-N 2.86Å; L529-K532 VanDerWaalsContact O-O 3.11Å; D530-K532 PolarHBondContact O-N 3.48Å; D530-K532 VanDerWaalsContact O-N 3.13Å; K532-I534 PolarHBondContact O-N 3.01Å; K532-Y537 HydrophobicContact CB-CE2 3.8Å
533	P	93.9	Very high	93	Very high	29 Å²	29	49 Å²	49	19%	0.188	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	134.2	175.8	-24.7	33.5	0	0	0	112.2	L528 S535 Q536 Y537	L528-P533 HydrophobicContact CD2-CB 4.24Å; L528-P533 HydrophobicContact CD2-CG 3.82Å; P533-S535 PolarHBondContact O-N 3.45Å; P533-S535 VanDerWaalsContact O-N 3.14Å; P533-Q536 HydrophobicContact CB-CG 4.22Å; P533-Q536 HydrophobicContact CG-CG 4.48Å; P533-Q536 WeakPolarHBondContact O-CB 3.44Å; P533-Q536 PolarHBondContact O-N 3.29Å; P533-Y537 WeakPolarHBondContact O-CD2 3.19Å
534	I	92.6	Very high	92.9	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.026	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-58.1	-31.7	-178.6	-66.1	-174.8	0	0	0	111.6	N518 V527 L529 K532 Q536 Y537 L542	N518-I534 HydrophobicContact CB-CG2 3.61Å; V527-I534 HydrophobicContact CB-CD1 3.96Å; V527-I534 HydrophobicContact CB-CG1 4.37Å; V527-I534 HydrophobicContact CG1-CD1 3.36Å; V527-I534 HydrophobicContact CG1-CG1 4.17Å; V527-I534 PolarHBondContact O-N 3.44Å; L529-I534 HydrophobicContact CB-CG1 3.96Å; K532-I534 PolarHBondContact O-N 3.01Å; I534-Q536 PolarHBondContact O-N 3.39Å; I534-Y537 PolarHBondContact O-N 3.28Å; I534-Y537 VanDerWaalsContact O-N 3.16Å; I534-L542 HydrophobicContact CG2-CD1 3.93Å; I534-L542 HydrophobicContact CG2-CD2 3.44Å; I534-L542 VanDerWaalsContact CG2-CD2 3.44Å; I534-L542 HydrophobicContact CG2-CG 4.34Å
535	S	90.3	Very high	93	Very high	40 Å²	40	46.2 Å²	46.2	28%	0.28	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-63.5	-19	176.9	56.6	0	0	0	0	114.7	P533	P533-S535 PolarHBondContact O-N 3.45Å; P533-S535 VanDerWaalsContact O-N 3.14Å
536	Q	92.3	Very high	93	Very high	92 Å²	92	44.2 Å²	44.2	43%	0.43	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-86.3	-9.7	178.1	-62.8	179.7	3.9	0	0	113.4	G457 T458 L459 P533 I534	G457-Q536 CarbonylContact C-O 3.37Å; G457-Q536 VanDerWaalsContact CA-O 3.25Å; G457-Q536 WeakPolarHBondContact CA-O 3.5Å; T458-Q536 PolarHBondContact N-O 3.26Å; L459-Q536 WeakPolarHBondContact CB-O 3.43Å; L459-Q536 HydrophobicContact CD1-CB 3.59Å; L459-Q536 HydrophobicContact CG-CB 4.39Å; L459-Q536 WeakPolarHBondContact CG-O 3.37Å; L459-Q536 PolarHBondContact N-O 2.96Å; L459-Q536 VanDerWaalsContact N-O 3.17Å; P533-Q536 HydrophobicContact CB-CG 4.22Å; P533-Q536 HydrophobicContact CG-CG 4.48Å; P533-Q536 WeakPolarHBondContact O-CB 3.44Å; P533-Q536 PolarHBondContact O-N 3.29Å; I534-Q536 PolarHBondContact O-N 3.39Å
537	Y	93	Very high	92.9	Very high	5 Å²	5	40.7 Å²	40.7	2%	0.02	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-77.7	147.2	176	-73.1	-96.9	0	0	0	111.7	G457 L459 P461 L464 L529 K532 P533 I534 H539 Y541	G457-Y537 PolarHBondContact N-O 3.04Å; L459-Y537 HydrophobicContact CB-CD1 4.24Å; L459-Y537 HydrophobicContact CB-CG 4.45Å; L459-Y537 WeakPolarHBondContact O-CA 3.43Å; P461-Y537 HydrophobicContact CG-CE1 3.97Å; L464-Y537 HydrophobicContact CD1-CE1 4.09Å; L529-Y537 HydrophobicContact CB-CE2 4.01Å; L529-Y537 HydrophobicContact CD2-CE1 4.23Å; L529-Y537 HydrophobicContact CD2-CE2 4.28Å; L529-Y537 HydrophobicContact CG-CE2 4.48Å; L529-Y537 PolarHBondContact O-OH 3.27Å; K532-Y537 HydrophobicContact CB-CE2 3.8Å; P533-Y537 WeakPolarHBondContact O-CD2 3.19Å; I534-Y537 PolarHBondContact O-N 3.28Å; I534-Y537 VanDerWaalsContact O-N 3.16Å; Y537-H539 PolarHBondContact O-N 3.36Å; Y537-Y541 AromaticContact CD1-CD1 3.88Å; Y537-Y541 HydrophobicContact CD1-CD1 3.88Å; Y537-Y541 AromaticContact CD1-CE1 3.81Å; Y537-Y541 HydrophobicContact CD1-CE1 3.81Å; Y537-Y541 HydrophobicContact CE1-CE1 4.07Å
538	E	93.4	Very high	92.7	Very high	82 Å²	82	41.7 Å²	41.7	38%	0.383	22%	0.218	S	C	.	.			trans	-63.7	132.6	169	-172.6	-159.9	154.9	0	0	109.5	G457 L459 C540 Y541 L542	G457-E538 VanDerWaalsContact O-CA 3.23Å; G457-E538 WeakPolarHBondContact O-CA 3.31Å; L459-E538 PolarHBondContact O-N 3.44Å; E538-C540 PolarHBondContact O-N 2.95Å; E538-Y541 PolarHBondContact O-N 3.25Å; E538-L542 WeakPolarHBondContact O-CB 3.16Å; E538-L542 PolarHBondContact O-N 3.35Å
539	H	89.6	Confident	92.5	Very high	102 Å²	102	41.5 Å²	41.5	47%	0.472	22%	0.217	S	C	.	.	H	α-helix	trans	-56.9	-48.5	-174.1	-179.2	74.8	0	0	0	112.8	Y537 Y541 L542 H543	Y537-H539 PolarHBondContact O-N 3.36Å; H539-Y541 PolarHBondContact O-N 2.99Å; H539-L542 PolarHBondContact O-N 3.47Å; H539-H543 AromaticContact CD2-CD2 3.98Å; H539-H543 AromaticContact CE1-CD2 3.17Å; H539-H543 PolarHBondContact CE1-CD2 2.98Å; H539-H543 AromaticContact CE1-NE2 3Å; H539-H543 PolarHBondContact CE1-NE2 3.27Å; H539-H543 AromaticContact CG-CD2 3.86Å; H539-H543 AromaticContact ND1-CD2 3.35Å; H539-H543 PolarHBondContact ND1-CD2 3.4Å; H539-H543 VanDerWaalsContact ND1-CD2 3.35Å; H539-H543 AromaticContact ND1-NE2 3.31Å; H539-H543 PolarHBondContact ND1-NE2 3.36Å; H539-H543 AromaticContact NE2-CD2 3.58Å; H539-H543 AromaticContact NE2-NE2 3.82Å; H539-H543 PolarHBondContact O-CD2 2.83Å; H539-H543 PolarHBondContact O-N 3.28Å; H539-H543 VanDerWaalsContact O-N 3.08Å
540	C	89.9	Confident	92.1	Very high	90 Å²	90	42.9 Å²	42.9	61%	0.608	23%	0.231	S	C	*	.	H	α-helix	trans	-64.5	-41.2	179.5	-67.8	0	0	0	0	112	E538 S544	E538-C540 PolarHBondContact O-N 2.95Å; C540-S544 PolarHBondContact O-N 3.27Å; C540-S544 VanDerWaalsContact O-N 3.13Å
541	Y	92.3	Very high	91.5	Very high	31 Å²	31	46 Å²	46	12%	0.122	24%	0.244	C	C	.	.	H	α-helix	trans	-61.8	-50.7	175	176.4	-91.9	0	0	0	111.3	A460 P461 Y537 E538 H539 H543 S544 Q545	A460-Y541 HydrophobicContact CB-CD1 4.48Å; A460-Y541 HydrophobicContact CB-CD2 3.73Å; A460-Y541 HydrophobicContact CB-CE2 4.34Å; A460-Y541 HydrophobicContact CB-CG 3.8Å; P461-Y541 HydrophobicContact CG-CE1 4.15Å; P461-Y541 WeakPolarHBondContact CG-OH 3.1Å; P461-Y541 VanDerWaalsContact O-CE2 3.22Å; P461-Y541 WeakPolarHBondContact O-CE2 3.47Å; P461-Y541 VanDerWaalsContact O-CZ 3.23Å; P461-Y541 PolarHBondContact O-OH 3.45Å; Y537-Y541 AromaticContact CD1-CD1 3.88Å; Y537-Y541 HydrophobicContact CD1-CD1 3.88Å; Y537-Y541 AromaticContact CD1-CE1 3.81Å; Y537-Y541 HydrophobicContact CD1-CE1 3.81Å; Y537-Y541 HydrophobicContact CE1-CE1 4.07Å; E538-Y541 PolarHBondContact O-N 3.25Å; H539-Y541 PolarHBondContact O-N 2.99Å; Y541-H543 VanDerWaalsContact C-N 3.33Å; Y541-H543 PolarHBondContact O-N 2.94Å; Y541-S544 WeakPolarHBondContact O-CB 3.34Å; Y541-S544 PolarHBondContact O-N 2.95Å; Y541-S544 PolarHBondContact O-OG 3.28Å; Y541-Q545 HydrophobicContact CD1-CG 4.36Å; Y541-Q545 HydrophobicContact CE1-CG 3.86Å; Y541-Q545 HydrophobicContact CE2-CG 4.13Å; Y541-Q545 PolarHBondContact O-N 2.94Å
542	L	93.4	Very high	90.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-56	-47.4	-179.8	-179.8	69.6	0	0	0	111.6	N518 L529 I534 E538 H539 S544 Q545 V546	N518-L542 HydrophobicContact CB-CD2 3.49Å; N518-L542 VanDerWaalsContact CB-CD2 3.49Å; L529-L542 HydrophobicContact CD2-CD1 3.91Å; I534-L542 HydrophobicContact CG2-CD1 3.93Å; I534-L542 HydrophobicContact CG2-CD2 3.44Å; I534-L542 VanDerWaalsContact CG2-CD2 3.44Å; I534-L542 HydrophobicContact CG2-CG 4.34Å; E538-L542 WeakPolarHBondContact O-CB 3.16Å; E538-L542 PolarHBondContact O-N 3.35Å; H539-L542 PolarHBondContact O-N 3.47Å; L542-S544 PolarHBondContact O-N 3.32Å; L542-Q545 PolarHBondContact O-N 3.46Å; L542-Q545 VanDerWaalsContact O-N 3.09Å; L542-V546 HydrophobicContact CD1-CB 4.41Å; L542-V546 HydrophobicContact CD1-CG2 3.71Å; L542-V546 HydrophobicContact CG-CG2 4.45Å; L542-V546 PolarHBondContact O-N 2.92Å
543	H	92.3	Very high	90.4	Very high	48 Å²	48	46.1 Å²	46.1	22%	0.222	25%	0.249	C	C	.	.	H	α-helix	trans	-74.5	-10.5	-179.8	-72.3	-67.3	0	0	0	114.4	Q517 H539 Y541	Q517-H543 PolarHBondContact O-CE1 3.24Å; Q517-H543 PolarHBondContact O-NE2 3.37Å; H539-H543 AromaticContact CD2-CD2 3.98Å; H539-H543 AromaticContact CE1-CD2 3.17Å; H539-H543 PolarHBondContact CE1-CD2 2.98Å; H539-H543 AromaticContact CE1-NE2 3Å; H539-H543 PolarHBondContact CE1-NE2 3.27Å; H539-H543 AromaticContact CG-CD2 3.86Å; H539-H543 AromaticContact ND1-CD2 3.35Å; H539-H543 PolarHBondContact ND1-CD2 3.4Å; H539-H543 VanDerWaalsContact ND1-CD2 3.35Å; H539-H543 AromaticContact ND1-NE2 3.31Å; H539-H543 PolarHBondContact ND1-NE2 3.36Å; H539-H543 AromaticContact NE2-CD2 3.58Å; H539-H543 AromaticContact NE2-NE2 3.82Å; H539-H543 PolarHBondContact O-CD2 2.83Å; H539-H543 PolarHBondContact O-N 3.28Å; H539-H543 VanDerWaalsContact O-N 3.08Å; Y541-H543 VanDerWaalsContact C-N 3.33Å; Y541-H543 PolarHBondContact O-N 2.94Å
544	S	91.5	Very high	90.1	Very high	36 Å²	36	49.1 Å²	49.1	25%	0.252	27%	0.266	S	S	.	.	H	α-helix	trans	-79	-34	165.6	78.5	0	0	0	0	111.9	C540 Y541 L542	C540-S544 PolarHBondContact O-N 3.27Å; C540-S544 VanDerWaalsContact O-N 3.13Å; Y541-S544 WeakPolarHBondContact O-CB 3.34Å; Y541-S544 PolarHBondContact O-N 2.95Å; Y541-S544 PolarHBondContact O-OG 3.28Å; L542-S544 PolarHBondContact O-N 3.32Å
545	Q	92.9	Very high	90	Very high	35 Å²	35	49 Å²	49	16%	0.164	27%	0.266	C	S	.	.	H	α-helix	trans	-93.8	-30.7	-174.8	-60.2	-55.3	-55	0	0	113.6	L464 Y541 L542 P625 R626 V627	L464-Q545 HydrophobicContact CD2-CB 3.77Å; L464-Q545 HydrophobicContact CD2-CG 4.04Å; Y541-Q545 HydrophobicContact CD1-CG 4.36Å; Y541-Q545 HydrophobicContact CE1-CG 3.86Å; Y541-Q545 HydrophobicContact CE2-CG 4.13Å; Y541-Q545 PolarHBondContact O-N 2.94Å; L542-Q545 PolarHBondContact O-N 3.46Å; L542-Q545 VanDerWaalsContact O-N 3.09Å; Q545-P625 WeakPolarHBondContact O-CB 3.34Å; Q545-R626 PolarHBondContact O-N 2.95Å; Q545-V627 PolarHBondContact O-N 3.47Å
546	V	94.1	Very high	90.1	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.012	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	105.5	-178.7	-174.3	0	0	0	0	108.8	Q517 L529 L542 V627 I629	Q517-V546 HydrophobicContact CG-CG1 4.47Å; L529-V546 HydrophobicContact CD2-CG2 4.31Å; L542-V546 HydrophobicContact CD1-CB 4.41Å; L542-V546 HydrophobicContact CD1-CG2 3.71Å; L542-V546 HydrophobicContact CG-CG2 4.45Å; L542-V546 PolarHBondContact O-N 2.92Å; V546-V627 WeakPolarHBondContact CA-O 3.33Å; V546-V627 HydrophobicContact CB-CB 4.43Å; V546-V627 HydrophobicContact CG1-CB 4.27Å; V546-V627 HydrophobicContact CG1-CG1 4.27Å; V546-V627 HydrophobicContact CG2-CB 4.09Å; V546-V627 HydrophobicContact CG2-CG2 4.28Å; V546-I629 HydrophobicContact CG1-CD1 4.06Å
547	V	93.5	Very high	90	Very high	11 Å²	11	51.1 Å²	51.1	7%	0.067	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.9	-174.4	179.4	0	0	0	0	110	A620 R623 P625 V627 I629	V547-A620 HydrophobicContact CG1-CB 3.52Å; V547-R623 HydrophobicContact CG2-CB 4.41Å; V547-P625 HydrophobicContact CB-CB 3.99Å; V547-P625 HydrophobicContact CB-CG 4.05Å; V547-P625 HydrophobicContact CG2-CB 3.68Å; V547-P625 HydrophobicContact CG2-CG 4.05Å; V547-V627 PolarHBondContact N-O 3.05Å; V547-I629 PolarHBondContact O-N 3.42Å
548	S	91.9	Very high	90	Very high	32 Å²	32	51.7 Å²	51.7	22%	0.224	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.6	175.8	-172.6	0	0	0	0	111.2	Q517 I629	Q517-S548 VanDerWaalsContact CD-CB 3.41Å; S548-I629 CarbonylContact C-O 3.57Å; S548-I629 VanDerWaalsContact CA-O 3.31Å; S548-I629 WeakPolarHBondContact CA-O 3.2Å
549	V	90.4	Very high	90	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.024	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	109.5	166.8	-175	0	0	0	0	107.1	A616 I617 A620 L628 I629 L630 D631 A633	V549-A616 HydrophobicContact CG1-CB 4.13Å; V549-I617 HydrophobicContact CG1-CG1 4.08Å; V549-I617 HydrophobicContact CG2-CG1 4.37Å; V549-A620 HydrophobicContact CG2-CB 3.68Å; V549-L628 HydrophobicContact CG2-CD1 4.48Å; V549-I629 PolarHBondContact N-O 3.05Å; V549-L630 HydrophobicContact CB-CD2 3.89Å; V549-L630 HydrophobicContact CG2-CD2 3.88Å; V549-D631 PolarHBondContact O-N 3.04Å; V549-A633 HydrophobicContact CB-CB 4.2Å; V549-A633 HydrophobicContact CG1-CB 3.77Å
550	G	86.5	Confident	90.3	Very high	30 Å²	30	43.5 Å²	43.5	31%	0.309	25%	0.25	S	C	.	.			trans	-77.2	167.3	-179.9	0	0	0	0	0	113.7	D631	G550-D631 CarbonylContact C-O 3.57Å
551	Q	81.1	Confident	90.5	Very high	97 Å²	97	41.9 Å²	41.9	45%	0.453	23%	0.231	S	C	.	.	S	Bend	trans	-59.9	-46.8	179.8	-177.6	178.5	13.4	0	0	112.8	P553 D631 E632	Q551-P553 WeakPolarHBondContact O-CD 3.27Å; Q551-D631 VanDerWaalsContact CA-O 3.25Å; Q551-D631 WeakPolarHBondContact CA-O 3.44Å; Q551-D631 PolarHBondContact N-O 3.45Å; Q551-E632 HydrophobicContact CB-CB 4.12Å; Q551-E632 HydrophobicContact CG-CB 3.94Å; Q551-E632 PolarHBondContact NE2-OE2 3.21Å
552	E	80.9	Confident	90.6	Very high	171 Å²	171	44.6 Å²	44.6	80%	0.799	25%	0.248	S	C	*	.	S	Bend	trans	-112.2	93.9	175.1	-69.9	-174.5	177.2	0	0	109.1	V554	E552-V554 PolarHBondContact O-N 3.02Å
553	P	83.5	Confident	90.6	Very high	26 Å²	26	44.8 Å²	44.8	17%	0.169	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-68	125.7	-177	-10.7	21.4	0	0	0	111.7	Q551 Q613 A616	Q551-P553 WeakPolarHBondContact O-CD 3.27Å; P553-Q613 HydrophobicContact CG-CB 4.31Å; P553-Q613 HydrophobicContact CG-CG 4.41Å; P553-A616 HydrophobicContact CB-CB 3.34Å; P553-A616 HydrophobicContact CG-CB 3.74Å
554	V	87.6	Confident	90.7	Very high	92 Å²	92	42.5 Å²	42.5	56%	0.558	24%	0.238	S	C	*	.	P	Polyproline II helix	trans	-85	117.7	175.3	-175.6	0	0	0	0	109.4	E552 R619	E552-V554 PolarHBondContact O-N 3.02Å; V554-R619 PolarHBondContact O-NH1 2.83Å
555	L	90.7	Very high	90.9	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-98.2	150	169.9	-59.4	-176.1	0	0	0	110.3	N563 V600 K603 L607 K612 L615 R619	L555-N563 HydrophobicContact CD2-CB 4.49Å; L555-V600 HydrophobicContact CB-CG2 4.37Å; L555-K603 WeakPolarHBondContact O-CA 3.48Å; L555-L607 HydrophobicContact CD1-CD1 3.65Å; L555-K612 HydrophobicContact CD1-CB 4.09Å; L555-K612 HydrophobicContact CD1-CG 3.94Å; L555-L615 HydrophobicContact CD1-CD2 3.78Å; L555-L615 HydrophobicContact CD2-CD2 3.99Å; L555-R619 VanDerWaalsContact CD2-NH2 3.33Å
556	F	91.4	Very high	90.9	Very high	94 Å²	94	44.9 Å²	44.9	41%	0.412	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-101.6	151.9	176.6	-65.3	-80.7	0	0	0	109.8	N563 Y566 V600	F556-N563 PolarHBondContact N-OD1 3.44Å; F556-N563 PolarHBondContact O-ND2 2.93Å; F556-N563 PolarHBondContact O-OD1 3.48Å; F556-Y566 AromaticContact CD2-CD2 3.85Å; F556-Y566 HydrophobicContact CD2-CD2 3.85Å; F556-Y566 HydrophobicContact CD2-CE1 4.49Å; F556-Y566 AromaticContact CD2-CE2 3.55Å; F556-Y566 HydrophobicContact CD2-CE2 3.55Å; F556-Y566 HydrophobicContact CD2-CG 4.44Å; F556-Y566 AromaticContact CD2-CZ 3.9Å; F556-Y566 HydrophobicContact CE2-CD1 4.35Å; F556-Y566 HydrophobicContact CE2-CD2 4.14Å; F556-Y566 AromaticContact CE2-CE1 3.82Å; F556-Y566 HydrophobicContact CE2-CE1 3.82Å; F556-Y566 AromaticContact CE2-CE2 3.58Å; F556-Y566 HydrophobicContact CE2-CE2 3.58Å; F556-Y566 HydrophobicContact CE2-CG 4.49Å; F556-Y566 AromaticContact CE2-CZ 3.39Å; F556-Y566 HydrophobicContact CG-CE2 4.2Å; F556-Y566 HydrophobicContact CZ-CE1 4.46Å; F556-Y566 HydrophobicContact CZ-CE2 4.24Å; F556-Y566 AromaticContact CZ-CZ 3.84Å; F556-V600 WeakPolarHBondContact O-CG2 3.48Å
557	S	90.5	Very high	90.6	Very high	82 Å²	82	48.3 Å²	48.3	57%	0.573	28%	0.279	S	S	*	.	S	Bend	trans	-57.5	141.3	171	-55.6	0	0	0	0	110.7	E602	S557-E602 WeakPolarHBondContact OG-CA 3.44Å
558	G	91.9	Very high	90.4	Very high	17 Å²	17	50.7 Å²	50.7	18%	0.175	29%	0.291	C	S	.	.	S	Bend	trans	121.9	-177.3	-173.6	0	0	0	0	0	112.1	D599 V600	G558-D599 WeakPolarHBondContact CA-OD1 3.41Å; G558-D599 PolarHBondContact N-OD1 3.25Å; G558-D599 VanDerWaalsContact O-OD1 3.08Å; G558-V600 WeakPolarHBondContact O-CG2 3.32Å; G558-V600 PolarHBondContact O-N 3.08Å
559	S	94.2	Very high	90	Very high	13 Å²	13	58 Å²	58	9%	0.091	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-68	159.6	-172	65.8	0	0	0	0	114.3	R561 N562 N563 Y597 T598	S559-R561 PolarHBondContact O-N 3.09Å; S559-N562 PolarHBondContact O-N 3.3Å; S559-N562 VanDerWaalsContact O-N 3.12Å; S559-N562 PolarHBondContact OG-N 3.48Å; S559-N562 PolarHBondContact OG-ND2 3.15Å; S559-N562 PolarHBondContact OG-OD1 2.91Å; S559-N563 PolarHBondContact O-N 3.28Å; S559-N563 PolarHBondContact O-ND2 3.44Å; S559-Y597 WeakPolarHBondContact CB-O 3.42Å; S559-T598 CarbonylContact C-O 3.51Å; S559-T598 WeakPolarHBondContact CA-O 3.48Å
560	V	94.9	Very high	89.6	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-48.4	-47.5	166.8	163.4	0	0	0	0	110.7	N562 N563 I564 I589 M592 I596 T598 V600 L615	V560-N562 PolarHBondContact O-N 3.37Å; V560-N563 WeakPolarHBondContact O-CB 3.4Å; V560-N563 PolarHBondContact O-N 2.92Å; V560-N563 VanDerWaalsContact O-N 3.17Å; V560-I564 HydrophobicContact CG1-CD1 4.01Å; V560-I564 WeakPolarHBondContact O-CG1 3.21Å; V560-I564 PolarHBondContact O-N 3.38Å; V560-I589 HydrophobicContact CG1-CD1 3.67Å; V560-I589 HydrophobicContact CG1-CG1 3.97Å; V560-M592 HydrophobicContact CG2-SD 4.07Å; V560-I596 WeakPolarHBondContact CB-O 3.35Å; V560-I596 HydrophobicContact CG1-CG2 4.5Å; V560-I596 PolarHBondContact N-O 2.95Å; V560-T598 PolarHBondContact N-O 2.78Å; V560-V600 HydrophobicContact CG2-CG1 3.61Å; V560-L615 HydrophobicContact CG1-CD1 3.76Å
561	R	94.7	Very high	89.7	Confident	56 Å²	56	63.2 Å²	63.2	21%	0.211	35%	0.353	C	S	.	.	H	α-helix	trans	-55.2	-49.5	175.6	-176.7	-168.6	-175.7	-71.5	-10.2	112.3	S559 N563 I564 A565 C571 D573 V576 I596	S559-R561 PolarHBondContact O-N 3.09Å; R561-N563 PolarHBondContact O-N 3.34Å; R561-I564 PolarHBondContact O-N 3.37Å; R561-A565 WeakPolarHBondContact O-CB 3.49Å; R561-A565 PolarHBondContact O-N 3.25Å; R561-C571 PolarHBondContact NH2-O 3.29Å; R561-D573 IonicContact CZ-OD1 3.43Å; R561-D573 IonicContact NE-OD1 3.31Å; R561-D573 PolarHBondContact NE-OD1 3.33Å; R561-D573 IonicContact NE-OD2 3.75Å; R561-D573 IonicContact NH2-OD1 2.67Å; R561-D573 PolarHBondContact NH2-OD1 2.86Å; R561-V576 HydrophobicContact CG-CG1 4.44Å; R561-I596 HydrophobicContact CB-CB 4.24Å; R561-I596 VanDerWaalsContact CB-O 3.29Å; R561-I596 WeakPolarHBondContact CB-O 3.33Å; R561-I596 PolarHBondContact N-O 3.4Å
562	N	93.9	Very high	90.3	Very high	88 Å²	88	64.1 Å²	64.1	47%	0.471	36%	0.357	S	S	.	.	H	α-helix	trans	-65.4	-31.6	-179	-69.1	-10.2	0	0	0	111.9	S559 V560 Y566	S559-N562 PolarHBondContact O-N 3.3Å; S559-N562 VanDerWaalsContact O-N 3.12Å; S559-N562 PolarHBondContact OG-N 3.48Å; S559-N562 PolarHBondContact OG-ND2 3.15Å; S559-N562 PolarHBondContact OG-OD1 2.91Å; V560-N562 PolarHBondContact O-N 3.37Å; N562-Y566 WeakPolarHBondContact O-CA 3.28Å; N562-Y566 PolarHBondContact O-N 2.86Å
563	N	94.5	Very high	90.9	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.016	33%	0.331	C	S	.	.	H	α-helix	trans	-72.9	-40.8	175.2	-86.1	-82.4	0	0	0	112.6	L555 F556 S559 V560 R561 Y566 V600 L615 R619	L555-N563 HydrophobicContact CD2-CB 4.49Å; F556-N563 PolarHBondContact N-OD1 3.44Å; F556-N563 PolarHBondContact O-ND2 2.93Å; F556-N563 PolarHBondContact O-OD1 3.48Å; S559-N563 PolarHBondContact O-N 3.28Å; S559-N563 PolarHBondContact O-ND2 3.44Å; V560-N563 WeakPolarHBondContact O-CB 3.4Å; V560-N563 PolarHBondContact O-N 2.92Å; V560-N563 VanDerWaalsContact O-N 3.17Å; R561-N563 PolarHBondContact O-N 3.34Å; N563-Y566 WeakPolarHBondContact O-CB 3.25Å; N563-V600 WeakPolarHBondContact ND2-CG2 3.3Å; N563-L615 HydrophobicContact CB-CD2 3.9Å; N563-R619 PolarHBondContact O-NE 3.27Å; N563-R619 PolarHBondContact O-NH2 3.44Å; N563-R619 PolarHBondContact OD1-NH2 3.32Å
564	I	94.6	Very high	91.4	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-67.6	-51.5	176	-65.3	170.1	0	0	0	109.9	V560 R561 Y566 V576 A580 L615 A618 V622	V560-I564 HydrophobicContact CG1-CD1 4.01Å; V560-I564 WeakPolarHBondContact O-CG1 3.21Å; V560-I564 PolarHBondContact O-N 3.38Å; R561-I564 PolarHBondContact O-N 3.37Å; I564-Y566 PolarHBondContact O-N 3.38Å; I564-Y566 VanDerWaalsContact O-N 3.12Å; I564-V576 HydrophobicContact CB-CG1 3.98Å; I564-V576 HydrophobicContact CD1-CG1 3.76Å; I564-V576 HydrophobicContact CG1-CG1 4.47Å; I564-V576 HydrophobicContact CG2-CB 4.49Å; I564-V576 HydrophobicContact CG2-CG1 3.92Å; I564-V576 HydrophobicContact CG2-CG2 4.48Å; I564-A580 HydrophobicContact CD1-CB 4.22Å; I564-L615 HydrophobicContact CD1-CD1 3.72Å; I564-L615 HydrophobicContact CG1-CD1 3.66Å; I564-L615 HydrophobicContact CG1-CG 4.14Å; I564-A618 HydrophobicContact CD1-CB 4.14Å; I564-A618 HydrophobicContact CG1-CB 4.07Å; I564-A618 HydrophobicContact CG2-CB 4.39Å; I564-V622 HydrophobicContact CG2-CB 4.08Å; I564-V622 HydrophobicContact CG2-CG1 3.95Å; I564-V622 HydrophobicContact CG2-CG2 4.39Å; I564-V622 WeakPolarHBondContact O-CG1 3.26Å
565	A	94.2	Very high	91.6	Very high	10 Å²	10	64.7 Å²	64.7	8%	0.083	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	17.2	-178.2	0	0	0	0	0	114.3	R561 G567 L568 C571 V576	R561-A565 WeakPolarHBondContact O-CB 3.49Å; R561-A565 PolarHBondContact O-N 3.25Å; A565-G567 PolarHBondContact O-N 2.93Å; A565-L568 PolarHBondContact O-N 3.17Å; A565-C571 HydrophobicContact CB-CB 3.83Å; A565-V576 HydrophobicContact CB-CG2 4.2Å
566	Y	93.5	Very high	91.7	Very high	111 Å²	111	64.5 Å²	64.5	44%	0.435	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	122.6	-174	-177.6	-101.7	0	0	0	111.9	F556 N562 N563 I564 L568 R623	F556-Y566 AromaticContact CD2-CD2 3.85Å; F556-Y566 HydrophobicContact CD2-CD2 3.85Å; F556-Y566 HydrophobicContact CD2-CE1 4.49Å; F556-Y566 AromaticContact CD2-CE2 3.55Å; F556-Y566 HydrophobicContact CD2-CE2 3.55Å; F556-Y566 HydrophobicContact CD2-CG 4.44Å; F556-Y566 AromaticContact CD2-CZ 3.9Å; F556-Y566 HydrophobicContact CE2-CD1 4.35Å; F556-Y566 HydrophobicContact CE2-CD2 4.14Å; F556-Y566 AromaticContact CE2-CE1 3.82Å; F556-Y566 HydrophobicContact CE2-CE1 3.82Å; F556-Y566 AromaticContact CE2-CE2 3.58Å; F556-Y566 HydrophobicContact CE2-CE2 3.58Å; F556-Y566 HydrophobicContact CE2-CG 4.49Å; F556-Y566 AromaticContact CE2-CZ 3.39Å; F556-Y566 HydrophobicContact CG-CE2 4.2Å; F556-Y566 HydrophobicContact CZ-CE1 4.46Å; F556-Y566 HydrophobicContact CZ-CE2 4.24Å; F556-Y566 AromaticContact CZ-CZ 3.84Å; N562-Y566 WeakPolarHBondContact O-CA 3.28Å; N562-Y566 PolarHBondContact O-N 2.86Å; N563-Y566 WeakPolarHBondContact O-CB 3.25Å; I564-Y566 PolarHBondContact O-N 3.38Å; I564-Y566 VanDerWaalsContact O-N 3.12Å; Y566-L568 PolarHBondContact O-N 2.96Å; Y566-R623 PolarHBondContact O-NH2 3.47Å
567	G	88.1	Confident	91.8	Very high	74 Å²	74	62.3 Å²	62.3	76%	0.763	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	4.7	179.7	0	0	0	0	0	115.8	A565	A565-G567 PolarHBondContact O-N 2.93Å
568	L	89.5	Confident	91.8	Very high	61 Å²	61	61 Å²	61	32%	0.319	34%	0.339	S	S	.	.			trans	-93.7	133	169	-68	177.2	0	0	0	110.2	A565 Y566 C571 V622 R623	A565-L568 PolarHBondContact O-N 3.17Å; Y566-L568 PolarHBondContact O-N 2.96Å; L568-C571 HydrophobicContact CB-CB 4.28Å; L568-V622 HydrophobicContact CD1-CG1 3.84Å; L568-V622 HydrophobicContact CD1-CG2 4.13Å; L568-R623 HydrophobicContact CD1-CG 4.22Å; L568-R623 HydrophobicContact CD2-CG 4.19Å; L568-R623 HydrophobicContact CG-CG 4.41Å
569	Q	83.8	Confident	91.7	Very high	187 Å²	187	60.4 Å²	60.4	87%	0.874	33%	0.333	S	S	*	.	S	Bend	trans	-80.6	128.8	172.8	-64.9	-175.2	2.7	0	0	109.6	C571	Q569-C571 PolarHBondContact O-N 3.43Å
570	S	81	Confident	91.6	Very high	127 Å²	127	59.8 Å²	59.8	89%	0.888	33%	0.329	S	S	*	.	S	Bend	trans	50.7	49.8	172.2	-54.9	0	0	0	0	115
571	C	90	Very high	91.4	Very high	15 Å²	15	64.5 Å²	64.5	10%	0.101	35%	0.351	C	S	.	.			trans	-72.8	128.4	173.7	-164.9	0	0	0	0	110.9	R561 A565 L568 Q569	R561-C571 PolarHBondContact NH2-O 3.29Å; A565-C571 HydrophobicContact CB-CB 3.83Å; L568-C571 HydrophobicContact CB-CB 4.28Å; Q569-C571 PolarHBondContact O-N 3.43Å
572	E	92.9	Very high	90.9	Very high	116 Å²	116	63.6 Å²	63.6	54%	0.542	36%	0.356	S	S	.	.			trans	-70.4	143.7	175.3	-68.8	174.3	161.9	0	0	111.3	D574 K575 V576	E572-D574 PolarHBondContact O-N 2.94Å; E572-K575 HydrophobicContact CB-CG 4.44Å; E572-K575 WeakPolarHBondContact O-CB 3.43Å; E572-K575 PolarHBondContact O-N 2.95Å; E572-K575 VanDerWaalsContact O-N 3.1Å; E572-V576 PolarHBondContact O-N 3.48Å
573	D	93.4	Very high	90.5	Very high	48 Å²	48	59.5 Å²	59.5	26%	0.257	33%	0.334	S	S	.	.	H	α-helix	trans	-62.2	-33.2	-178.7	-71.7	13.8	0	0	0	112	R561 K575 V576 M577 I596 Y597	R561-D573 IonicContact CZ-OD1 3.43Å; R561-D573 IonicContact NE-OD1 3.31Å; R561-D573 PolarHBondContact NE-OD1 3.33Å; R561-D573 IonicContact NE-OD2 3.75Å; R561-D573 IonicContact NH2-OD1 2.67Å; R561-D573 PolarHBondContact NH2-OD1 2.86Å; D573-K575 VanDerWaalsContact C-N 3.3Å; D573-K575 PolarHBondContact O-N 2.82Å; D573-V576 WeakPolarHBondContact O-CB 3.28Å; D573-V576 PolarHBondContact O-N 3.44Å; D573-V576 VanDerWaalsContact O-N 3.15Å; D573-M577 WeakPolarHBondContact O-CG 3.47Å; D573-M577 PolarHBondContact O-N 2.94Å; D573-I596 HydrophobicContact CB-CD1 4.21Å; D573-Y597 PolarHBondContact OD2-OH 3.36Å
574	D	93.1	Very high	90.1	Very high	128 Å²	128	62.1 Å²	62.1	68%	0.684	35%	0.346	S	S	*	.	H	α-helix	trans	-61.7	-39	176.3	-64.5	-19.3	0	0	0	111.8	E572 M577 A578	E572-D574 PolarHBondContact O-N 2.94Å; D574-M577 PolarHBondContact O-N 3.35Å; D574-A578 VanDerWaalsContact O-CB 3.3Å; D574-A578 WeakPolarHBondContact O-CB 3.34Å; D574-A578 PolarHBondContact O-N 3.01Å
575	K	92.4	Very high	89.9	Confident	125 Å²	125	62.1 Å²	62.1	54%	0.543	35%	0.346	S	S	.	.	H	α-helix	trans	-69.3	-38.1	175.3	-66.9	-175	-177.4	178	0	111.6	E572 D573 A579	E572-K575 HydrophobicContact CB-CG 4.44Å; E572-K575 WeakPolarHBondContact O-CB 3.43Å; E572-K575 PolarHBondContact O-N 2.95Å; E572-K575 VanDerWaalsContact O-N 3.1Å; D573-K575 VanDerWaalsContact C-N 3.3Å; D573-K575 PolarHBondContact O-N 2.82Å; K575-A579 WeakPolarHBondContact O-CB 3.37Å; K575-A579 PolarHBondContact O-N 3.29Å
576	V	94.1	Very high	89.7	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-62.7	-45.1	175.2	173.4	0	0	0	0	110.4	R561 I564 A565 E572 D573 A579 A580	R561-V576 HydrophobicContact CG-CG1 4.44Å; I564-V576 HydrophobicContact CB-CG1 3.98Å; I564-V576 HydrophobicContact CD1-CG1 3.76Å; I564-V576 HydrophobicContact CG1-CG1 4.47Å; I564-V576 HydrophobicContact CG2-CB 4.49Å; I564-V576 HydrophobicContact CG2-CG1 3.92Å; I564-V576 HydrophobicContact CG2-CG2 4.48Å; A565-V576 HydrophobicContact CB-CG2 4.2Å; E572-V576 PolarHBondContact O-N 3.48Å; D573-V576 WeakPolarHBondContact O-CB 3.28Å; D573-V576 PolarHBondContact O-N 3.44Å; D573-V576 VanDerWaalsContact O-N 3.15Å; V576-A579 PolarHBondContact O-N 2.9Å; V576-A580 WeakPolarHBondContact O-CB 3.39Å; V576-A580 PolarHBondContact O-N 3.44Å
577	M	92.6	Very high	89.5	Confident	48 Å²	48	61.2 Å²	61.2	24%	0.236	35%	0.347	C	S	.	.	H	α-helix	trans	-67.2	-43.2	177.7	-75.7	-58.2	-60.8	0	0	112.3	D573 D574 A579 A580 Q581 I596	D573-M577 WeakPolarHBondContact O-CG 3.47Å; D573-M577 PolarHBondContact O-N 2.94Å; D574-M577 PolarHBondContact O-N 3.35Å; M577-A579 VanDerWaalsContact C-N 3.29Å; M577-A579 PolarHBondContact O-N 3.05Å; M577-A580 WeakPolarHBondContact O-CB 3.48Å; M577-A580 PolarHBondContact O-N 2.9Å; M577-A580 VanDerWaalsContact O-N 3.15Å; M577-Q581 WeakPolarHBondContact O-CG 3.31Å; M577-Q581 PolarHBondContact O-N 3.4Å; M577-I596 HydrophobicContact CG-CG2 4.43Å; M577-I596 HydrophobicContact SD-CG2 3.29Å; M577-I596 WeakPolarHBondContact SD-CG2 3.37Å
578	A	90.3	Very high	89.6	Confident	53 Å²	53	58.3 Å²	58.3	44%	0.438	31%	0.314	S	S	.	.	H	α-helix	trans	-60.9	-39.5	175.8	0	0	0	0	0	111.8	D574 A582	D574-A578 VanDerWaalsContact O-CB 3.3Å; D574-A578 WeakPolarHBondContact O-CB 3.34Å; D574-A578 PolarHBondContact O-N 3.01Å; A578-A582 WeakPolarHBondContact O-CB 3.43Å; A578-A582 PolarHBondContact O-N 3.4Å
579	A	91	Very high	89.7	Confident	6 Å²	6	55.6 Å²	55.6	5%	0.05	30%	0.299	C	S	.	.	H	α-helix	trans	-69.1	-36.4	174.7	0	0	0	0	0	112.6	K575 V576 M577 A583 L621 V622	K575-A579 WeakPolarHBondContact O-CB 3.37Å; K575-A579 PolarHBondContact O-N 3.29Å; V576-A579 PolarHBondContact O-N 2.9Å; M577-A579 VanDerWaalsContact C-N 3.29Å; M577-A579 PolarHBondContact O-N 3.05Å; A579-A583 WeakPolarHBondContact O-CB 3.46Å; A579-A583 PolarHBondContact O-N 3.3Å; A579-A583 VanDerWaalsContact O-N 3.12Å; A579-L621 HydrophobicContact CB-CB 4.5Å; A579-V622 HydrophobicContact CB-CB 3.66Å; A579-V622 HydrophobicContact CB-CG2 4.19Å
580	A	91.9	Very high	90.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.6	-44.3	174.1	0	0	0	0	0	111.6	I564 V576 M577 A583 H584 A585 I589	I564-A580 HydrophobicContact CD1-CB 4.22Å; V576-A580 WeakPolarHBondContact O-CB 3.39Å; V576-A580 PolarHBondContact O-N 3.44Å; M577-A580 WeakPolarHBondContact O-CB 3.48Å; M577-A580 PolarHBondContact O-N 2.9Å; M577-A580 VanDerWaalsContact O-N 3.15Å; A580-A583 CarbonylContact O-C 3.56Å; A580-A583 PolarHBondContact O-N 3.48Å; A580-A583 VanDerWaalsContact O-N 3.13Å; A580-H584 PolarHBondContact O-N 3.03Å; A580-H584 VanDerWaalsContact O-N 3.11Å; A580-A585 HydrophobicContact CB-CB 4.29Å; A580-A585 PolarHBondContact O-N 2.9Å; A580-I589 HydrophobicContact CB-CD1 3.95Å
581	Q	89.3	Confident	90.6	Very high	99 Å²	99	54.8 Å²	54.8	46%	0.463	28%	0.281	S	S	.	.	H	α-helix	trans	-61.2	-45.9	174.4	-73.2	174.9	-18.2	0	0	111.8	M577 A583 H584 D586	M577-Q581 WeakPolarHBondContact O-CG 3.31Å; M577-Q581 PolarHBondContact O-N 3.4Å; Q581-A583 PolarHBondContact O-N 2.98Å; Q581-A583 VanDerWaalsContact O-N 3.16Å; Q581-H584 PolarHBondContact O-N 3.34Å; Q581-D586 HydrophobicContact CG-CB 3.77Å
582	A	84.4	Confident	90.7	Very high	37 Å²	37	55.9 Å²	55.9	31%	0.306	29%	0.286	S	S	.	.	H	α-helix	trans	-63.4	-20.1	176.3	0	0	0	0	0	113.3	A578 L621 A644	A578-A582 WeakPolarHBondContact O-CB 3.43Å; A578-A582 PolarHBondContact O-N 3.4Å; A582-L621 HydrophobicContact CB-CD1 3.84Å; A582-A644 WeakPolarHBondContact O-CB 3.43Å
583	A	86.3	Confident	90.5	Very high	2 Å²	2	58.7 Å²	58.7	2%	0.017	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	5.8	175.2	0	0	0	0	0	113.5	A579 A580 Q581 A585 R614 I617 A618 L621	A579-A583 WeakPolarHBondContact O-CB 3.46Å; A579-A583 PolarHBondContact O-N 3.3Å; A579-A583 VanDerWaalsContact O-N 3.12Å; A580-A583 CarbonylContact O-C 3.56Å; A580-A583 PolarHBondContact O-N 3.48Å; A580-A583 VanDerWaalsContact O-N 3.13Å; Q581-A583 PolarHBondContact O-N 2.98Å; Q581-A583 VanDerWaalsContact O-N 3.16Å; A583-A585 PolarHBondContact O-N 3.16Å; A583-R614 WeakPolarHBondContact CB-O 3.27Å; A583-I617 HydrophobicContact CB-CB 4.14Å; A583-I617 HydrophobicContact CB-CG2 3.89Å; A583-A618 HydrophobicContact CB-CB 3.8Å; A583-L621 HydrophobicContact CB-CD1 4.37Å
584	H	86.8	Confident	90.4	Very high	57 Å²	57	62 Å²	62	26%	0.264	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	36.6	-171.6	-66.8	-76.5	0	0	0	113.4	A580 Q581 R614 Q640	A580-H584 PolarHBondContact O-N 3.03Å; A580-H584 VanDerWaalsContact O-N 3.11Å; Q581-H584 PolarHBondContact O-N 3.34Å; H584-R614 WeakPolarHBondContact O-CD 3.31Å; H584-R614 PolarHBondContact O-NH1 3.08Å; H584-Q640 PolarHBondContact CD2-O 2.85Å; H584-Q640 PolarHBondContact NE2-O 3.03Å
585	A	88.8	Confident	90.4	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.29	C	S	.	.			trans	-94.6	-13.9	175	0	0	0	0	0	112.1	A580 A583 D587 F588 I589 R614	A580-A585 HydrophobicContact CB-CB 4.29Å; A580-A585 PolarHBondContact O-N 2.9Å; A583-A585 PolarHBondContact O-N 3.16Å; A585-D587 VanDerWaalsContact C-N 3.34Å; A585-D587 PolarHBondContact O-N 3.37Å; A585-F588 HydrophobicContact CB-CE1 3.66Å; A585-F588 HydrophobicContact CB-CZ 4.12Å; A585-F588 VanDerWaalsContact O-CD1 3.29Å; A585-F588 WeakPolarHBondContact O-CD1 3.4Å; A585-F588 WeakPolarHBondContact O-CE1 3.48Å; A585-I589 HydrophobicContact CB-CD1 3.9Å; A585-I589 WeakPolarHBondContact O-CB 3.32Å; A585-I589 WeakPolarHBondContact O-CD1 3.42Å; A585-I589 WeakPolarHBondContact O-CG1 3.48Å; A585-I589 PolarHBondContact O-N 3.37Å; A585-R614 HydrophobicContact CB-CB 4.07Å
586	D	90.4	Very high	90.4	Very high	24 Å²	24	51.8 Å²	51.8	13%	0.128	27%	0.268	C	S	.	.	H	α-helix	trans	-63.1	-36.7	-177.4	58.4	-48.9	0	0	0	113.2	Q581 F588 I589 Q590	Q581-D586 HydrophobicContact CG-CB 3.77Å; D586-F588 PolarHBondContact O-N 3Å; D586-I589 PolarHBondContact O-N 3.4Å; D586-Q590 WeakPolarHBondContact O-CB 3.47Å; D586-Q590 VanDerWaalsContact O-CG 3.27Å; D586-Q590 WeakPolarHBondContact O-CG 3.14Å; D586-Q590 PolarHBondContact O-N 3.41Å
587	D	89.1	Confident	90.5	Very high	78 Å²	78	58.1 Å²	58.1	42%	0.417	29%	0.293	S	S	.	.	H	α-helix	trans	-52.7	-59.4	179.9	-52.8	-28.8	0	0	0	111.9	A585 I589 Q590 E591	A585-D587 VanDerWaalsContact C-N 3.34Å; A585-D587 PolarHBondContact O-N 3.37Å; D587-I589 VanDerWaalsContact C-N 3.35Å; D587-I589 PolarHBondContact O-N 3.27Å; D587-Q590 PolarHBondContact O-N 3Å; D587-E591 PolarHBondContact O-N 3.47Å
588	F	89.6	Confident	90.6	Very high	14 Å²	14	56.7 Å²	56.7	6%	0.061	29%	0.287	C	S	.	.	H	α-helix	trans	-75.2	-27.3	-177.9	77.9	-95.8	0	0	0	112	A585 D586 Q590 E591 M592 L607 Q611 R614	A585-F588 HydrophobicContact CB-CE1 3.66Å; A585-F588 HydrophobicContact CB-CZ 4.12Å; A585-F588 VanDerWaalsContact O-CD1 3.29Å; A585-F588 WeakPolarHBondContact O-CD1 3.4Å; A585-F588 WeakPolarHBondContact O-CE1 3.48Å; D586-F588 PolarHBondContact O-N 3Å; F588-Q590 VanDerWaalsContact C-N 3.31Å; F588-E591 PolarHBondContact O-N 3.48Å; F588-M592 HydrophobicContact CD2-SD 4.35Å; F588-M592 HydrophobicContact CE2-SD 4.46Å; F588-M592 WeakPolarHBondContact O-CG 3.36Å; F588-M592 PolarHBondContact O-N 3.28Å; F588-L607 HydrophobicContact CD2-CD2 4.5Å; F588-L607 HydrophobicContact CE2-CD2 3.97Å; F588-Q611 HydrophobicContact CD1-CB 4.45Å; F588-Q611 HydrophobicContact CD1-CG 3.91Å; F588-Q611 HydrophobicContact CD2-CB 4.45Å; F588-Q611 HydrophobicContact CD2-CG 4.05Å; F588-Q611 HydrophobicContact CE1-CB 4.04Å; F588-Q611 HydrophobicContact CE1-CG 4.01Å; F588-Q611 HydrophobicContact CE2-CB 4.07Å; F588-Q611 HydrophobicContact CE2-CG 4.18Å; F588-Q611 HydrophobicContact CG-CG 3.93Å; F588-Q611 HydrophobicContact CZ-CB 3.85Å; F588-Q611 HydrophobicContact CZ-CG 4.16Å; F588-R614 HydrophobicContact CE1-CB 4.44Å
589	I	93.1	Very high	90.7	Very high	3 Å²	3	58 Å²	58	2%	0.015	29%	0.287	C	S	.	.	H	α-helix	trans	-65	-39.6	175.8	-71.5	168.2	0	0	0	109.8	V560 A580 A585 D586 D587 E591 M592 G595 I596 L615	V560-I589 HydrophobicContact CG1-CD1 3.67Å; V560-I589 HydrophobicContact CG1-CG1 3.97Å; A580-I589 HydrophobicContact CB-CD1 3.95Å; A585-I589 HydrophobicContact CB-CD1 3.9Å; A585-I589 WeakPolarHBondContact O-CB 3.32Å; A585-I589 WeakPolarHBondContact O-CD1 3.42Å; A585-I589 WeakPolarHBondContact O-CG1 3.48Å; A585-I589 PolarHBondContact O-N 3.37Å; D586-I589 PolarHBondContact O-N 3.4Å; D587-I589 VanDerWaalsContact C-N 3.35Å; D587-I589 PolarHBondContact O-N 3.27Å; I589-E591 VanDerWaalsContact C-N 3.29Å; I589-E591 PolarHBondContact O-N 3Å; I589-M592 WeakPolarHBondContact O-CB 3.49Å; I589-M592 PolarHBondContact O-N 3.18Å; I589-G595 VanDerWaalsContact O-CA 3.32Å; I589-G595 WeakPolarHBondContact O-CA 3.48Å; I589-I596 HydrophobicContact CG2-CG2 3.73Å; I589-L615 HydrophobicContact CD1-CD1 4.32Å
590	Q	91.5	Very high	90.8	Very high	131 Å²	131	57.8 Å²	57.8	61%	0.612	29%	0.285	S	S	*	.	H	α-helix	trans	-66.7	-29.8	177	-72.5	174.6	30.8	0	0	112.9	D586 D587 F588 M592	D586-Q590 WeakPolarHBondContact O-CB 3.47Å; D586-Q590 VanDerWaalsContact O-CG 3.27Å; D586-Q590 WeakPolarHBondContact O-CG 3.14Å; D586-Q590 PolarHBondContact O-N 3.41Å; D587-Q590 PolarHBondContact O-N 3Å; F588-Q590 VanDerWaalsContact C-N 3.31Å; Q590-M592 VanDerWaalsContact C-N 3.29Å
591	E	91.8	Very high	90.6	Very high	166 Å²	166	58.2 Å²	58.2	78%	0.776	29%	0.29	S	S	*	.	H	α-helix	trans	-75	-16	176	-67.4	176	175.8	0	0	113.3	D587 F588 I589	D587-E591 PolarHBondContact O-N 3.47Å; F588-E591 PolarHBondContact O-N 3.48Å; I589-E591 VanDerWaalsContact C-N 3.29Å; I589-E591 PolarHBondContact O-N 3Å
592	M	92.3	Very high	90.4	Very high	38 Å²	38	60.1 Å²	60.1	19%	0.187	30%	0.299	C	S	.	.	S	Bend	trans	-76.2	144.3	178.3	-67.1	177.2	126.6	0	0	112.1	V560 F588 I589 Q590 H594 G595 T598 L607	V560-M592 HydrophobicContact CG2-SD 4.07Å; F588-M592 HydrophobicContact CD2-SD 4.35Å; F588-M592 HydrophobicContact CE2-SD 4.46Å; F588-M592 WeakPolarHBondContact O-CG 3.36Å; F588-M592 PolarHBondContact O-N 3.28Å; I589-M592 WeakPolarHBondContact O-CB 3.49Å; I589-M592 PolarHBondContact O-N 3.18Å; Q590-M592 VanDerWaalsContact C-N 3.29Å; M592-H594 PolarHBondContact O-N 3.34Å; M592-G595 PolarHBondContact O-N 2.95Å; M592-G595 VanDerWaalsContact O-N 3.09Å; M592-T598 HydrophobicContact CB-CG2 4.08Å; M592-T598 VanDerWaalsContact CB-OG1 3.31Å; M592-T598 WeakPolarHBondContact CB-OG1 3.08Å; M592-T598 HydrophobicContact CE-CG2 3.76Å; M592-T598 HydrophobicContact CG-CG2 4.29Å; M592-T598 HydrophobicContact SD-CG2 3.89Å; M592-L607 HydrophobicContact CE-CD2 3.54Å
593	E	87.4	Confident	90.3	Very high	175 Å²	175	65.3 Å²	65.3	82%	0.818	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-32.8	-175.8	-168.8	178.7	177.6	0	0	114.4
594	H	92	Very high	90.2	Very high	119 Å²	119	65.2 Å²	65.2	55%	0.551	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.8	19.5	-179.4	-60.8	-33	0	0	0	113.3	M592 I596 Y597 T598	M592-H594 PolarHBondContact O-N 3.34Å; H594-I596 PolarHBondContact O-N 2.92Å; H594-Y597 WeakPolarHBondContact O-CA 3.17Å; H594-Y597 WeakPolarHBondContact O-CB 3.43Å; H594-Y597 PolarHBondContact O-N 3.39Å; H594-T598 VanDerWaalsContact C-OG1 3.3Å; H594-T598 PolarHBondContact N-OG1 3.23Å
595	G	92.5	Very high	90.2	Very high	21 Å²	21	66.7 Å²	66.7	22%	0.216	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	55.5	-131.2	178.9	0	0	0	0	0	112.5	I589 M592 Y597 T598	I589-G595 VanDerWaalsContact O-CA 3.32Å; I589-G595 WeakPolarHBondContact O-CA 3.48Å; M592-G595 PolarHBondContact O-N 2.95Å; M592-G595 VanDerWaalsContact O-N 3.09Å; G595-Y597 PolarHBondContact O-N 2.96Å; G595-Y597 VanDerWaalsContact O-N 3.14Å; G595-T598 PolarHBondContact N-OG1 2.96Å; G595-T598 WeakPolarHBondContact O-CB 3.28Å; G595-T598 PolarHBondContact O-N 2.94Å; G595-T598 VanDerWaalsContact O-N 3.15Å; G595-T598 PolarHBondContact O-OG1 3.17Å
596	I	93.8	Very high	90	Very high	16 Å²	16	72.7 Å²	72.7	8%	0.082	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-63.6	-14.8	175.5	60.6	172.7	0	0	0	114.4	V560 R561 D573 M577 I589 H594	V560-I596 WeakPolarHBondContact CB-O 3.35Å; V560-I596 HydrophobicContact CG1-CG2 4.5Å; V560-I596 PolarHBondContact N-O 2.95Å; R561-I596 HydrophobicContact CB-CB 4.24Å; R561-I596 VanDerWaalsContact CB-O 3.29Å; R561-I596 WeakPolarHBondContact CB-O 3.33Å; R561-I596 PolarHBondContact N-O 3.4Å; D573-I596 HydrophobicContact CB-CD1 4.21Å; M577-I596 HydrophobicContact CG-CG2 4.43Å; M577-I596 HydrophobicContact SD-CG2 3.29Å; M577-I596 WeakPolarHBondContact SD-CG2 3.37Å; I589-I596 HydrophobicContact CG2-CG2 3.73Å; H594-I596 PolarHBondContact O-N 2.92Å
597	Y	95.3	Very high	89.9	Confident	133 Å²	133	72 Å²	72	52%	0.522	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-89.8	-4	178.7	-65.2	-77.2	0	0	0	113.1	S559 D573 H594 G595 D599	S559-Y597 WeakPolarHBondContact CB-O 3.42Å; D573-Y597 PolarHBondContact OD2-OH 3.36Å; H594-Y597 WeakPolarHBondContact O-CA 3.17Å; H594-Y597 WeakPolarHBondContact O-CB 3.43Å; H594-Y597 PolarHBondContact O-N 3.39Å; G595-Y597 PolarHBondContact O-N 2.96Å; G595-Y597 VanDerWaalsContact O-N 3.14Å; Y597-D599 PolarHBondContact O-N 3.01Å
598	T	94.6	Very high	89.8	Confident	18 Å²	18	71 Å²	71	11%	0.11	36%	0.357	C	S	.	.			trans	-64	131.2	177.5	-50.8	0	0	0	0	111.2	S559 V560 M592 H594 G595	S559-T598 CarbonylContact C-O 3.51Å; S559-T598 WeakPolarHBondContact CA-O 3.48Å; V560-T598 PolarHBondContact N-O 2.78Å; M592-T598 HydrophobicContact CB-CG2 4.08Å; M592-T598 VanDerWaalsContact CB-OG1 3.31Å; M592-T598 WeakPolarHBondContact CB-OG1 3.08Å; M592-T598 HydrophobicContact CE-CG2 3.76Å; M592-T598 HydrophobicContact CG-CG2 4.29Å; M592-T598 HydrophobicContact SD-CG2 3.89Å; H594-T598 VanDerWaalsContact C-OG1 3.3Å; H594-T598 PolarHBondContact N-OG1 3.23Å; G595-T598 PolarHBondContact N-OG1 2.96Å; G595-T598 WeakPolarHBondContact O-CB 3.28Å; G595-T598 PolarHBondContact O-N 2.94Å; G595-T598 VanDerWaalsContact O-N 3.15Å; G595-T598 PolarHBondContact O-OG1 3.17Å
599	D	93.6	Very high	89.5	Confident	82 Å²	82	74 Å²	74	44%	0.439	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-71.9	133.8	175.1	-164.1	-22	0	0	0	110.4	G558 Y597 G601 Q606	G558-D599 WeakPolarHBondContact CA-OD1 3.41Å; G558-D599 PolarHBondContact N-OD1 3.25Å; G558-D599 VanDerWaalsContact O-OD1 3.08Å; Y597-D599 PolarHBondContact O-N 3.01Å; D599-G601 PolarHBondContact OD1-N 3.46Å; D599-Q606 PolarHBondContact O-OE1 3.25Å
600	V	91.6	Very high	89	Confident	0 Å²	0	75 Å²	75	0%	0	40%	0.395	C	S	.	.			trans	-88.2	-9	-179.7	-56.2	0	0	0	0	113.1	L555 F556 G558 V560 N563 G604 S605 Q606 L607 L615	L555-V600 HydrophobicContact CB-CG2 4.37Å; F556-V600 WeakPolarHBondContact O-CG2 3.48Å; G558-V600 WeakPolarHBondContact O-CG2 3.32Å; G558-V600 PolarHBondContact O-N 3.08Å; V560-V600 HydrophobicContact CG2-CG1 3.61Å; N563-V600 WeakPolarHBondContact ND2-CG2 3.3Å; V600-G604 CarbonylContact O-C 3.16Å; V600-G604 WeakPolarHBondContact O-CA 3.41Å; V600-S605 PolarHBondContact O-N 3.47Å; V600-Q606 WeakPolarHBondContact O-CB 3.37Å; V600-Q606 PolarHBondContact O-N 3.08Å; V600-L607 HydrophobicContact CB-CD1 3.93Å; V600-L607 HydrophobicContact CB-CG 4.33Å; V600-L607 HydrophobicContact CG1-CD1 3.71Å; V600-L607 HydrophobicContact CG1-CG 4.37Å; V600-L615 HydrophobicContact CG1-CD2 4.31Å
601	G	88.6	Confident	88.9	Confident	10 Å²	10	71.5 Å²	71.5	10%	0.103	38%	0.379	C	S	.	.			trans	75.6	174.8	-176.6	0	0	0	0	0	114.1	D599 K603 G604	D599-G601 PolarHBondContact OD1-N 3.46Å; G601-K603 PolarHBondContact O-N 3.2Å; G601-G604 PolarHBondContact O-N 3Å
602	E	85.9	Confident	88.8	Confident	138 Å²	138	65.8 Å²	65.8	65%	0.645	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-60.2	124.1	-179.2	-169.1	-174.8	165.6	0	0	111.2	S557 G604 S605	S557-E602 WeakPolarHBondContact OG-CA 3.44Å; E602-G604 PolarHBondContact O-N 3.28Å; E602-G604 VanDerWaalsContact O-N 3.11Å; E602-S605 WeakPolarHBondContact O-CB 3.21Å; E602-S605 PolarHBondContact O-N 3.23Å; E602-S605 PolarHBondContact O-OG 3Å
603	K	82	Confident	88.5	Confident	147 Å²	147	64.1 Å²	64.1	64%	0.639	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	53.5	28.6	-175.3	-61.1	176.8	-177.1	177.8	0	113.4	L555 G601 S605 K612	L555-K603 WeakPolarHBondContact O-CA 3.48Å; G601-K603 PolarHBondContact O-N 3.2Å; K603-S605 VanDerWaalsContact C-N 3.34Å; K603-S605 PolarHBondContact O-N 2.66Å; K603-K612 PolarHBondContact O-NZ 3.16Å
604	G	83.5	Confident	88.5	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	67.1	31	-177.9	0	0	0	0	0	113.3	V600 G601 E602 Q606 L607 K612	V600-G604 CarbonylContact O-C 3.16Å; V600-G604 WeakPolarHBondContact O-CA 3.41Å; G601-G604 PolarHBondContact O-N 3Å; E602-G604 PolarHBondContact O-N 3.28Å; E602-G604 VanDerWaalsContact O-N 3.11Å; G604-Q606 PolarHBondContact O-N 2.74Å; G604-L607 PolarHBondContact O-N 3.17Å; G604-K612 WeakPolarHBondContact O-CE 3.2Å; G604-K612 PolarHBondContact O-NZ 3Å
605	S	86.3	Confident	88.5	Confident	87 Å²	87	52 Å²	52	61%	0.608	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-21.5	-175.5	57.2	0	0	0	0	114.6	V600 E602 K603	V600-S605 PolarHBondContact O-N 3.47Å; E602-S605 WeakPolarHBondContact O-CB 3.21Å; E602-S605 PolarHBondContact O-N 3.23Å; E602-S605 PolarHBondContact O-OG 3Å; K603-S605 VanDerWaalsContact C-N 3.34Å; K603-S605 PolarHBondContact O-N 2.66Å
606	Q	85.5	Confident	88.4	Confident	126 Å²	126	51.5 Å²	51.5	59%	0.589	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-5.9	179	-57.3	-173	4.7	0	0	113.9	D599 V600 G604	D599-Q606 PolarHBondContact O-OE1 3.25Å; V600-Q606 WeakPolarHBondContact O-CB 3.37Å; V600-Q606 PolarHBondContact O-N 3.08Å; G604-Q606 PolarHBondContact O-N 2.74Å
607	L	87.4	Confident	88.2	Confident	10 Å²	10	50.8 Å²	50.8	5%	0.052	28%	0.275	C	S	.	.	S	Bend	trans	-107.5	140.2	-177.9	-66.2	178.2	0	0	0	111.5	L555 F588 M592 V600 G604 Q611 K612 L615	L555-L607 HydrophobicContact CD1-CD1 3.65Å; F588-L607 HydrophobicContact CD2-CD2 4.5Å; F588-L607 HydrophobicContact CE2-CD2 3.97Å; M592-L607 HydrophobicContact CE-CD2 3.54Å; V600-L607 HydrophobicContact CB-CD1 3.93Å; V600-L607 HydrophobicContact CB-CG 4.33Å; V600-L607 HydrophobicContact CG1-CD1 3.71Å; V600-L607 HydrophobicContact CG1-CG 4.37Å; G604-L607 PolarHBondContact O-N 3.17Å; L607-Q611 HydrophobicContact CB-CB 4.17Å; L607-Q611 HydrophobicContact CD2-CB 4.22Å; L607-K612 HydrophobicContact CB-CG 3.76Å; L607-K612 WeakPolarHBondContact O-CE 3.48Å; L607-L615 HydrophobicContact CD1-CD2 4.12Å
608	A	88.1	Confident	88	Confident	58 Å²	58	44.5 Å²	44.5	48%	0.479	25%	0.251	S	S	.	.			trans	-64.3	154.3	168.7	0	0	0	0	0	110.8	G610 Q611 K612	A608-G610 VanDerWaalsContact C-N 3.29Å; A608-G610 PolarHBondContact O-N 2.86Å; A608-Q611 HydrophobicContact CB-CG 4.28Å; A608-Q611 WeakPolarHBondContact O-CB 3.01Å; A608-Q611 PolarHBondContact O-N 2.69Å; A608-K612 WeakPolarHBondContact O-CG 3.23Å; A608-K612 PolarHBondContact O-N 2.87Å
609	A	83.6	Confident	87.9	Confident	76 Å²	76	45.2 Å²	45.2	63%	0.628	25%	0.251	S	S	*	.	H	α-helix	trans	-53.5	-43.5	-176.9	0	0	0	0	0	113.2	K612 Q613	A609-K612 PolarHBondContact O-N 3.34Å; A609-Q613 PolarHBondContact O-N 3.13Å
610	G	82.6	Confident	87.8	Confident	24 Å²	24	41.4 Å²	41.4	25%	0.247	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-40	176	0	0	0	0	0	113.4	A608 K612 Q613 R614	A608-G610 VanDerWaalsContact C-N 3.29Å; A608-G610 PolarHBondContact O-N 2.86Å; G610-K612 PolarHBondContact O-N 3.43Å; G610-Q613 WeakPolarHBondContact O-CB 3.46Å; G610-Q613 PolarHBondContact O-N 3.11Å; G610-R614 WeakPolarHBondContact O-CG 3.4Å; G610-R614 PolarHBondContact O-N 3.27Å
611	Q	88.3	Confident	87.7	Confident	57 Å²	57	42 Å²	42	27%	0.266	23%	0.234	S	C	.	.	H	α-helix	trans	-63.5	-41	176	-68.1	172	-28.5	0	0	111.6	F588 L607 A608 Q613 R614 L615	F588-Q611 HydrophobicContact CD1-CB 4.45Å; F588-Q611 HydrophobicContact CD1-CG 3.91Å; F588-Q611 HydrophobicContact CD2-CB 4.45Å; F588-Q611 HydrophobicContact CD2-CG 4.05Å; F588-Q611 HydrophobicContact CE1-CB 4.04Å; F588-Q611 HydrophobicContact CE1-CG 4.01Å; F588-Q611 HydrophobicContact CE2-CB 4.07Å; F588-Q611 HydrophobicContact CE2-CG 4.18Å; F588-Q611 HydrophobicContact CG-CG 3.93Å; F588-Q611 HydrophobicContact CZ-CB 3.85Å; F588-Q611 HydrophobicContact CZ-CG 4.16Å; L607-Q611 HydrophobicContact CB-CB 4.17Å; L607-Q611 HydrophobicContact CD2-CB 4.22Å; A608-Q611 HydrophobicContact CB-CG 4.28Å; A608-Q611 WeakPolarHBondContact O-CB 3.01Å; A608-Q611 PolarHBondContact O-N 2.69Å; Q611-Q613 PolarHBondContact O-N 2.84Å; Q611-R614 PolarHBondContact O-N 3.13Å; Q611-L615 WeakPolarHBondContact O-CB 3.37Å; Q611-L615 PolarHBondContact O-N 3.45Å
612	K	89.6	Confident	87.9	Confident	46 Å²	46	42.6 Å²	42.6	20%	0.2	24%	0.236	C	C	.	.	H	α-helix	trans	-58.9	-38.9	175.1	-60.8	-174	-164.9	-156.4	0	111.8	L555 K603 G604 L607 A608 A609 G610 L615 A616	L555-K612 HydrophobicContact CD1-CB 4.09Å; L555-K612 HydrophobicContact CD1-CG 3.94Å; K603-K612 PolarHBondContact O-NZ 3.16Å; G604-K612 WeakPolarHBondContact O-CE 3.2Å; G604-K612 PolarHBondContact O-NZ 3Å; L607-K612 HydrophobicContact CB-CG 3.76Å; L607-K612 WeakPolarHBondContact O-CE 3.48Å; A608-K612 WeakPolarHBondContact O-CG 3.23Å; A608-K612 PolarHBondContact O-N 2.87Å; A609-K612 PolarHBondContact O-N 3.34Å; G610-K612 PolarHBondContact O-N 3.43Å; K612-L615 PolarHBondContact O-N 3.39Å; K612-A616 WeakPolarHBondContact O-CB 3.46Å; K612-A616 PolarHBondContact O-N 3.38Å
613	Q	86.3	Confident	88.1	Confident	4 Å²	4	38.5 Å²	38.5	2%	0.019	21%	0.214	C	C	.	.	H	α-helix	trans	-70.9	-46.5	180	-164.5	160.5	52.1	0	0	112.6	P553 A609 G610 Q611 L615 A616 I617 A633 A636 L637	P553-Q613 HydrophobicContact CG-CB 4.31Å; P553-Q613 HydrophobicContact CG-CG 4.41Å; A609-Q613 PolarHBondContact O-N 3.13Å; G610-Q613 WeakPolarHBondContact O-CB 3.46Å; G610-Q613 PolarHBondContact O-N 3.11Å; Q611-Q613 PolarHBondContact O-N 2.84Å; Q613-L615 PolarHBondContact O-N 2.84Å; Q613-A616 WeakPolarHBondContact O-CB 3.35Å; Q613-A616 PolarHBondContact O-N 3Å; Q613-A616 VanDerWaalsContact O-N 3.09Å; Q613-I617 HydrophobicContact CG-CD1 4.47Å; Q613-I617 WeakPolarHBondContact O-CG1 3.3Å; Q613-I617 PolarHBondContact O-N 3.39Å; Q613-A633 VanDerWaalsContact NE2-CA 3.27Å; Q613-A633 PolarHBondContact NE2-O 2.97Å; Q613-A633 PolarHBondContact OE1-O 3.37Å; Q613-A633 VanDerWaalsContact OE1-O 3.14Å; Q613-A636 VanDerWaalsContact OE1-CA 3.26Å; Q613-L637 HydrophobicContact CG-CD2 4.48Å; Q613-L637 HydrophobicContact CG-CG 4.44Å
614	R	88.1	Confident	88.5	Confident	40 Å²	40	35.5 Å²	35.5	15%	0.151	21%	0.206	C	C	.	.	H	α-helix	trans	-57.7	-40.1	172.9	-63.3	-170.4	-165.9	-179.9	-1.3	111.3	A583 H584 A585 F588 G610 Q611 A616 I617 A618 D638	A583-R614 WeakPolarHBondContact CB-O 3.27Å; H584-R614 WeakPolarHBondContact O-CD 3.31Å; H584-R614 PolarHBondContact O-NH1 3.08Å; A585-R614 HydrophobicContact CB-CB 4.07Å; F588-R614 HydrophobicContact CE1-CB 4.44Å; G610-R614 WeakPolarHBondContact O-CG 3.4Å; G610-R614 PolarHBondContact O-N 3.27Å; Q611-R614 PolarHBondContact O-N 3.13Å; R614-A616 PolarHBondContact O-N 3.12Å; R614-I617 PolarHBondContact O-N 2.86Å; R614-A618 PolarHBondContact O-N 3.05Å; R614-D638 IonicContact NH2-OD2 2.78Å; R614-D638 PolarHBondContact NH2-OD2 3.21Å
615	L	91.6	Very high	88.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.2	-36.1	176.3	-156.8	73.2	0	0	0	113.2	L555 V560 N563 I564 I589 V600 L607 Q611 K612 Q613 I617 A618 R619	L555-L615 HydrophobicContact CD1-CD2 3.78Å; L555-L615 HydrophobicContact CD2-CD2 3.99Å; V560-L615 HydrophobicContact CG1-CD1 3.76Å; N563-L615 HydrophobicContact CB-CD2 3.9Å; I564-L615 HydrophobicContact CD1-CD1 3.72Å; I564-L615 HydrophobicContact CG1-CD1 3.66Å; I564-L615 HydrophobicContact CG1-CG 4.14Å; I589-L615 HydrophobicContact CD1-CD1 4.32Å; V600-L615 HydrophobicContact CG1-CD2 4.31Å; L607-L615 HydrophobicContact CD1-CD2 4.12Å; Q611-L615 WeakPolarHBondContact O-CB 3.37Å; Q611-L615 PolarHBondContact O-N 3.45Å; K612-L615 PolarHBondContact O-N 3.39Å; Q613-L615 PolarHBondContact O-N 2.84Å; L615-I617 VanDerWaalsContact C-N 3.34Å; L615-A618 PolarHBondContact O-N 2.99Å; L615-R619 WeakPolarHBondContact O-CB 3.48Å; L615-R619 PolarHBondContact O-N 3.39Å
616	A	90.6	Very high	89.2	Confident	9 Å²	9	35.9 Å²	35.9	7%	0.074	19%	0.194	C	C	.	.	H	α-helix	trans	-69	-32.9	174.7	0	0	0	0	0	112.9	V549 P553 K612 Q613 R614 R619 A620	V549-A616 HydrophobicContact CG1-CB 4.13Å; P553-A616 HydrophobicContact CB-CB 3.34Å; P553-A616 HydrophobicContact CG-CB 3.74Å; K612-A616 WeakPolarHBondContact O-CB 3.46Å; K612-A616 PolarHBondContact O-N 3.38Å; Q613-A616 WeakPolarHBondContact O-CB 3.35Å; Q613-A616 PolarHBondContact O-N 3Å; Q613-A616 VanDerWaalsContact O-N 3.09Å; R614-A616 PolarHBondContact O-N 3.12Å; A616-R619 WeakPolarHBondContact O-CB 3.37Å; A616-R619 PolarHBondContact O-N 2.93Å; A616-A620 PolarHBondContact O-N 3.06Å
617	I	89.1	Confident	89.5	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-69.9	-46.5	172.7	-65	162.9	0	0	0	110	V549 A583 Q613 R614 L615 R619 A620 L621 L637 L645	V549-I617 HydrophobicContact CG1-CG1 4.08Å; V549-I617 HydrophobicContact CG2-CG1 4.37Å; A583-I617 HydrophobicContact CB-CB 4.14Å; A583-I617 HydrophobicContact CB-CG2 3.89Å; Q613-I617 HydrophobicContact CG-CD1 4.47Å; Q613-I617 WeakPolarHBondContact O-CG1 3.3Å; Q613-I617 PolarHBondContact O-N 3.39Å; R614-I617 PolarHBondContact O-N 2.86Å; L615-I617 VanDerWaalsContact C-N 3.34Å; I617-R619 VanDerWaalsContact C-N 3.26Å; I617-R619 PolarHBondContact O-N 3.42Å; I617-A620 CarbonylContact O-C 3.46Å; I617-A620 WeakPolarHBondContact O-CA 3.35Å; I617-A620 WeakPolarHBondContact O-CB 3.18Å; I617-A620 PolarHBondContact O-N 3.45Å; I617-L621 HydrophobicContact CG2-CD1 3.84Å; I617-L621 HydrophobicContact CG2-CG 4.06Å; I617-L621 WeakPolarHBondContact O-CG 3.28Å; I617-L621 PolarHBondContact O-N 3.09Å; I617-L637 HydrophobicContact CD1-CD1 3.53Å; I617-L637 HydrophobicContact CD1-CD2 3.18Å; I617-L637 HydrophobicContact CD1-CG 3.88Å; I617-L645 HydrophobicContact CD1-CD1 4.38Å; I617-L645 HydrophobicContact CG2-CD1 4.42Å; I617-L645 HydrophobicContact CG2-CD2 4.03Å; I617-L645 HydrophobicContact CG2-CG 4.34Å
618	A	91.6	Very high	89.8	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-55.4	-43.8	172.9	0	0	0	0	0	111.3	I564 A583 R614 L615 A620 L621 V622	I564-A618 HydrophobicContact CD1-CB 4.14Å; I564-A618 HydrophobicContact CG1-CB 4.07Å; I564-A618 HydrophobicContact CG2-CB 4.39Å; A583-A618 HydrophobicContact CB-CB 3.8Å; R614-A618 PolarHBondContact O-N 3.05Å; L615-A618 PolarHBondContact O-N 2.99Å; A618-A620 PolarHBondContact O-N 2.9Å; A618-L621 PolarHBondContact O-N 3.44Å; A618-V622 PolarHBondContact O-N 2.9Å
619	R	92.8	Very high	90	Very high	33 Å²	33	26.8 Å²	26.8	13%	0.125	14%	0.141	C	C	.	.	H	α-helix	trans	-57.2	-36.4	172.3	176.4	-168.8	-68.1	171.1	0.6	111.7	V554 L555 N563 L615 A616 I617 V622 R623	V554-R619 PolarHBondContact O-NH1 2.83Å; L555-R619 VanDerWaalsContact CD2-NH2 3.33Å; N563-R619 PolarHBondContact O-NE 3.27Å; N563-R619 PolarHBondContact O-NH2 3.44Å; N563-R619 PolarHBondContact OD1-NH2 3.32Å; L615-R619 WeakPolarHBondContact O-CB 3.48Å; L615-R619 PolarHBondContact O-N 3.39Å; A616-R619 WeakPolarHBondContact O-CB 3.37Å; A616-R619 PolarHBondContact O-N 2.93Å; I617-R619 VanDerWaalsContact C-N 3.26Å; I617-R619 PolarHBondContact O-N 3.42Å; R619-V622 WeakPolarHBondContact O-CG1 3.42Å; R619-R623 PolarHBondContact O-NH1 3.48Å
620	A	90.8	Very high	90.3	Very high	2 Å²	2	23.5 Å²	23.5	2%	0.017	11%	0.113	C	C	.	.	H	α-helix	trans	-74	-47	177.1	0	0	0	0	0	112.2	V547 V549 A616 I617 A618 V622 R623 P625 L628	V547-A620 HydrophobicContact CG1-CB 3.52Å; V549-A620 HydrophobicContact CG2-CB 3.68Å; A616-A620 PolarHBondContact O-N 3.06Å; I617-A620 CarbonylContact O-C 3.46Å; I617-A620 WeakPolarHBondContact O-CA 3.35Å; I617-A620 WeakPolarHBondContact O-CB 3.18Å; I617-A620 PolarHBondContact O-N 3.45Å; A618-A620 PolarHBondContact O-N 2.9Å; A620-V622 PolarHBondContact O-N 2.93Å; A620-R623 PolarHBondContact O-N 3.42Å; A620-P625 WeakPolarHBondContact O-CD 3.34Å; A620-L628 HydrophobicContact CB-CD1 4.03Å
621	L	89.9	Confident	90.4	Very high	12 Å²	12	23 Å²	23	6%	0.063	11%	0.105	C	C	.	.	H	α-helix	trans	-66.6	-33.8	-175.3	-64.8	-179.3	0	0	0	113.3	A579 A582 A583 I617 A618 R623 D624 L645 W648	A579-L621 HydrophobicContact CB-CB 4.5Å; A582-L621 HydrophobicContact CB-CD1 3.84Å; A583-L621 HydrophobicContact CB-CD1 4.37Å; I617-L621 HydrophobicContact CG2-CD1 3.84Å; I617-L621 HydrophobicContact CG2-CG 4.06Å; I617-L621 WeakPolarHBondContact O-CG 3.28Å; I617-L621 PolarHBondContact O-N 3.09Å; A618-L621 PolarHBondContact O-N 3.44Å; L621-R623 PolarHBondContact O-N 3.39Å; L621-R623 VanDerWaalsContact O-N 3.11Å; L621-D624 PolarHBondContact O-N 2.91Å; L621-L645 HydrophobicContact CD2-CD2 4.15Å; L621-W648 HydrophobicContact CD2-CD2 3.6Å; L621-W648 HydrophobicContact CD2-CE3 4.17Å; L621-W648 HydrophobicContact CD2-CG 3.79Å; L621-W648 HydrophobicContact CD2-CZ2 4.14Å
622	V	92.3	Very high	89.7	Confident	23 Å²	23	21.9 Å²	21.9	14%	0.139	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.2	178.3	71.7	0	0	0	0	113.1	I564 L568 A579 A618 R619 A620	I564-V622 HydrophobicContact CG2-CB 4.08Å; I564-V622 HydrophobicContact CG2-CG1 3.95Å; I564-V622 HydrophobicContact CG2-CG2 4.39Å; I564-V622 WeakPolarHBondContact O-CG1 3.26Å; L568-V622 HydrophobicContact CD1-CG1 3.84Å; L568-V622 HydrophobicContact CD1-CG2 4.13Å; A579-V622 HydrophobicContact CB-CB 3.66Å; A579-V622 HydrophobicContact CB-CG2 4.19Å; A618-V622 PolarHBondContact O-N 2.9Å; R619-V622 WeakPolarHBondContact O-CG1 3.42Å; A620-V622 PolarHBondContact O-N 2.93Å
623	R	90.8	Very high	88.3	Confident	52 Å²	52	19.7 Å²	19.7	20%	0.196	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-11	176	-62.9	-166	-174.7	71.1	14	113.9	V547 Y566 L568 R619 A620 L621	V547-R623 HydrophobicContact CG2-CB 4.41Å; Y566-R623 PolarHBondContact O-NH2 3.47Å; L568-R623 HydrophobicContact CD1-CG 4.22Å; L568-R623 HydrophobicContact CD2-CG 4.19Å; L568-R623 HydrophobicContact CG-CG 4.41Å; R619-R623 PolarHBondContact O-NH1 3.48Å; A620-R623 PolarHBondContact O-N 3.42Å; L621-R623 PolarHBondContact O-N 3.39Å; L621-R623 VanDerWaalsContact O-N 3.11Å
624	D	89.1	Confident	86.8	Confident	85 Å²	85	19.9 Å²	19.9	46%	0.455	9%	0.091	S	C	.	.			trans	48.3	57.8	-173.1	-167.8	21.8	0	0	0	114.1	L621 R654	L621-D624 PolarHBondContact O-N 2.91Å; D624-R654 IonicContact OD1-CZ 3.9Å; D624-R654 IonicContact OD1-NE 2.6Å; D624-R654 PolarHBondContact OD1-NE 3.36Å; D624-R654 IonicContact OD1-NH2 3.21Å; D624-R654 PolarHBondContact OD1-NH2 3.48Å; D624-R654 IonicContact OD2-NH2 3.16Å
625	P	92.2	Very high	85.2	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.1	C	C	.	.			trans	-71.3	149.9	-173.7	29.4	-36.1	0	0	0	113.1	Q545 V547 A620 L628 W648 R654	Q545-P625 WeakPolarHBondContact O-CB 3.34Å; V547-P625 HydrophobicContact CB-CB 3.99Å; V547-P625 HydrophobicContact CB-CG 4.05Å; V547-P625 HydrophobicContact CG2-CB 3.68Å; V547-P625 HydrophobicContact CG2-CG 4.05Å; A620-P625 WeakPolarHBondContact O-CD 3.34Å; P625-L628 HydrophobicContact CG-CD1 4.4Å; P625-W648 HydrophobicContact CG-CH2 3.98Å; P625-W648 HydrophobicContact CG-CZ2 4.04Å; P625-W648 WeakPolarHBondContact O-CH2 3.49Å; P625-R654 WeakPolarHBondContact O-CD 3.24Å
626	R	92.4	Very high	83.2	Confident	94 Å²	94	22.7 Å²	22.7	36%	0.355	12%	0.12	S	C	.	.	S	Bend	trans	-80.9	-28	171.8	-69.6	-73.5	176.7	-178.1	-1.2	113	L464 Q545 T655	L464-R626 HydrophobicContact CB-CG 4.28Å; L464-R626 HydrophobicContact CD2-CB 3.95Å; L464-R626 HydrophobicContact CD2-CG 4.23Å; L464-R626 WeakPolarHBondContact O-CD 3.34Å; Q545-R626 PolarHBondContact O-N 2.95Å; R626-T655 PolarHBondContact O-N 2.94Å
627	V	93.5	Very high	81.6	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	116.7	176.6	-173.9	0	0	0	0	108.6	V468 L529 Q545 V546 V547 T655	V468-V627 HydrophobicContact CG2-CG1 4.28Å; V468-V627 HydrophobicContact CG2-CG2 4.14Å; L529-V627 HydrophobicContact CD1-CG2 4.19Å; Q545-V627 PolarHBondContact O-N 3.47Å; V546-V627 WeakPolarHBondContact CA-O 3.33Å; V546-V627 HydrophobicContact CB-CB 4.43Å; V546-V627 HydrophobicContact CG1-CB 4.27Å; V546-V627 HydrophobicContact CG1-CG1 4.27Å; V546-V627 HydrophobicContact CG2-CB 4.09Å; V546-V627 HydrophobicContact CG2-CG2 4.28Å; V547-V627 PolarHBondContact N-O 3.05Å; V627-T655 CarbonylContact C-O 3.45Å; V627-T655 WeakPolarHBondContact CA-O 3.44Å; V627-T655 HydrophobicContact CG1-CG2 4.48Å
628	L	92.6	Very high	80.3	Confident	3 Å²	3	26.3 Å²	26.3	2%	0.016	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128.1	177.2	-177.8	64.7	0	0	0	110.2	V549 A620 P625 L630 L645 W648 T655 V656 L657	V549-L628 HydrophobicContact CG2-CD1 4.48Å; A620-L628 HydrophobicContact CB-CD1 4.03Å; P625-L628 HydrophobicContact CG-CD1 4.4Å; L628-L630 HydrophobicContact CD1-CD2 4.36Å; L628-L630 HydrophobicContact CD2-CD2 4.17Å; L628-L630 HydrophobicContact CD2-CG 4.41Å; L628-L630 HydrophobicContact CG-CD2 4.12Å; L628-L630 HydrophobicContact CG-CG 4.3Å; L628-L645 HydrophobicContact CD2-CD2 3.82Å; L628-W648 HydrophobicContact CB-CH2 4.1Å; L628-W648 HydrophobicContact CB-CZ3 4.04Å; L628-W648 HydrophobicContact CD2-CE3 4.18Å; L628-W648 HydrophobicContact CD2-CH2 4.12Å; L628-W648 HydrophobicContact CD2-CZ3 3.6Å; L628-W648 HydrophobicContact CG-CZ3 4.45Å; L628-T655 PolarHBondContact N-O 3.49Å; L628-V656 HydrophobicContact CB-CG2 4.42Å; L628-V656 CarbonylContact O-C 3.57Å; L628-V656 WeakPolarHBondContact O-CA 3.49Å; L628-L657 PolarHBondContact O-N 3.45Å
629	I	92.4	Very high	79.1	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127.3	177	-52.5	166.1	0	0	0	108.1	A513 L516 Q517 V546 V547 S548 V549 L657	A513-I629 HydrophobicContact CB-CG2 3.84Å; L516-I629 HydrophobicContact CB-CD1 3.75Å; L516-I629 HydrophobicContact CD1-CD1 4.07Å; L516-I629 HydrophobicContact CG-CD1 4.39Å; Q517-I629 HydrophobicContact CG-CD1 4.09Å; V546-I629 HydrophobicContact CG1-CD1 4.06Å; V547-I629 PolarHBondContact O-N 3.42Å; S548-I629 CarbonylContact C-O 3.57Å; S548-I629 VanDerWaalsContact CA-O 3.31Å; S548-I629 WeakPolarHBondContact CA-O 3.2Å; V549-I629 PolarHBondContact N-O 3.05Å; I629-L657 CarbonylContact C-O 3.6Å; I629-L657 WeakPolarHBondContact CA-O 3.36Å; I629-L657 HydrophobicContact CG1-CB 4.4Å; I629-L657 HydrophobicContact CG2-CD2 4.22Å
630	L	88.9	Confident	77.7	Confident	7 Å²	7	32.9 Å²	32.9	4%	0.037	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	102.5	177.3	-60.7	177.3	0	0	0	108.1	V549 L628 A633 L645 V656 L657 V658 I659	V549-L630 HydrophobicContact CB-CD2 3.89Å; V549-L630 HydrophobicContact CG2-CD2 3.88Å; L628-L630 HydrophobicContact CD1-CD2 4.36Å; L628-L630 HydrophobicContact CD2-CD2 4.17Å; L628-L630 HydrophobicContact CD2-CG 4.41Å; L628-L630 HydrophobicContact CG-CD2 4.12Å; L628-L630 HydrophobicContact CG-CG 4.3Å; L630-A633 HydrophobicContact CB-CB 4.36Å; L630-A633 HydrophobicContact CD2-CB 4.42Å; L630-L645 HydrophobicContact CD1-CD1 3.92Å; L630-V656 HydrophobicContact CD1-CG1 4.42Å; L630-L657 PolarHBondContact N-O 2.84Å; L630-V658 HydrophobicContact CD1-CG2 4.36Å; L630-I659 PolarHBondContact O-N 3.05Å
631	D	86.5	Confident	76.4	Confident	14 Å²	14	32.9 Å²	32.9	8%	0.075	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	98.1	-179.8	-165.1	7.7	0	0	0	111.3	S510 V549 G550 Q551 A633 I659	S510-D631 WeakPolarHBondContact CB-OD2 3.4Å; S510-D631 PolarHBondContact OG-OD2 3.31Å; V549-D631 PolarHBondContact O-N 3.04Å; G550-D631 CarbonylContact C-O 3.57Å; Q551-D631 VanDerWaalsContact CA-O 3.25Å; Q551-D631 WeakPolarHBondContact CA-O 3.44Å; Q551-D631 PolarHBondContact N-O 3.45Å; D631-A633 PolarHBondContact O-N 2.69Å; D631-I659 HydrophobicContact CB-CD1 4.05Å; D631-I659 WeakPolarHBondContact OD1-CB 3.26Å; D631-I659 WeakPolarHBondContact OD1-CG2 3.31Å
632	E	73.6	Confident	75.4	Confident	33 Å²	33	33.2 Å²	33.2	15%	0.154	18%	0.177	C	C	.	.	S	Bend	trans	51.8	15.5	-174.9	-66.6	-173.2	-153	0	0	114.9	Q551 T634 S635 I659 H661	Q551-E632 HydrophobicContact CB-CB 4.12Å; Q551-E632 HydrophobicContact CG-CB 3.94Å; Q551-E632 PolarHBondContact NE2-OE2 3.21Å; E632-T634 PolarHBondContact O-N 3.13Å; E632-S635 WeakPolarHBondContact O-CB 3.29Å; E632-S635 PolarHBondContact O-N 3.34Å; E632-S635 PolarHBondContact O-OG 3.2Å; E632-I659 WeakPolarHBondContact CA-O 3.48Å; E632-I659 PolarHBondContact N-O 3.04Å; E632-H661 VanDerWaalsContact CD-CD2 3.4Å; E632-H661 IonicContact OE1-CD2 3.52Å; E632-H661 PolarHBondContact OE1-CD2 3.14Å; E632-H661 IonicContact OE1-NE2 3.53Å; E632-H661 PolarHBondContact OE1-NE2 3.46Å; E632-H661 VanDerWaalsContact OE1-NE2 3.1Å
633	A	58.5	Low	74.2	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-62.8	-19.8	-178.9	0	0	0	0	0	111.9	V549 Q613 L630 D631 S635 L637	V549-A633 HydrophobicContact CB-CB 4.2Å; V549-A633 HydrophobicContact CG1-CB 3.77Å; Q613-A633 VanDerWaalsContact NE2-CA 3.27Å; Q613-A633 PolarHBondContact NE2-O 2.97Å; Q613-A633 PolarHBondContact OE1-O 3.37Å; Q613-A633 VanDerWaalsContact OE1-O 3.14Å; L630-A633 HydrophobicContact CB-CB 4.36Å; L630-A633 HydrophobicContact CD2-CB 4.42Å; D631-A633 PolarHBondContact O-N 2.69Å; A633-S635 VanDerWaalsContact C-N 3.32Å; A633-S635 PolarHBondContact O-N 3.46Å; A633-L637 WeakPolarHBondContact O-CD1 3.32Å; A633-L637 WeakPolarHBondContact O-CG 3.21Å
634	T	55.5	Low	73.1	Confident	9 Å²	9	34.8 Å²	34.8	6%	0.055	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-82.3	-2.7	178.1	56.2	0	0	0	0	115	E632 L637 E642 R662	E632-T634 PolarHBondContact O-N 3.13Å; T634-L637 HydrophobicContact CG2-CD1 4.07Å; T634-E642 WeakPolarHBondContact CB-OE1 3.46Å; T634-E642 HydrophobicContact CG2-CG 4.25Å; T634-R662 PolarHBondContact O-NH1 2.92Å
635	S	54.3	Low	72.3	Confident	46 Å²	46	31.5 Å²	31.5	32%	0.322	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-73.7	-29.4	-179.8	60.8	0	0	0	0	113.7	E632 A633 R662	E632-S635 WeakPolarHBondContact O-CB 3.29Å; E632-S635 PolarHBondContact O-N 3.34Å; E632-S635 PolarHBondContact O-OG 3.2Å; A633-S635 VanDerWaalsContact C-N 3.32Å; A633-S635 PolarHBondContact O-N 3.46Å; S635-R662 PolarHBondContact O-NH1 3.31Å; S635-R662 VanDerWaalsContact O-NH1 3.1Å; S635-R662 PolarHBondContact O-NH2 3.04Å
636	A	50.5	Low	71.3	Confident	53 Å²	53	35.4 Å²	35.4	44%	0.438	19%	0.188	S	C	.	.	S	Bend	trans	-118.2	12.2	173.5	0	0	0	0	0	112.7	Q613	Q613-A636 VanDerWaalsContact OE1-CA 3.26Å
637	L	56.6	Low	70.3	Confident	13 Å²	13	35 Å²	35	7%	0.068	19%	0.192	C	C	.	.			trans	-79.2	134.8	169.9	-75.7	166.2	0	0	0	111.1	Q613 I617 A633 T634 C641 E642 L645	Q613-L637 HydrophobicContact CG-CD2 4.48Å; Q613-L637 HydrophobicContact CG-CG 4.44Å; I617-L637 HydrophobicContact CD1-CD1 3.53Å; I617-L637 HydrophobicContact CD1-CD2 3.18Å; I617-L637 HydrophobicContact CD1-CG 3.88Å; A633-L637 WeakPolarHBondContact O-CD1 3.32Å; A633-L637 WeakPolarHBondContact O-CG 3.21Å; T634-L637 HydrophobicContact CG2-CD1 4.07Å; L637-C641 HydrophobicContact CB-CB 4.18Å; L637-C641 HydrophobicContact CD2-CB 3.27Å; L637-C641 HydrophobicContact CG-CB 4.18Å; L637-E642 HydrophobicContact CB-CG 4.49Å; L637-L645 HydrophobicContact CD1-CD1 4.22Å
638	D	61.6	Low	69.6	Low	73 Å²	73	36.2 Å²	36.2	39%	0.39	20%	0.197	S	C	.	.			trans	-67.5	152.2	166.5	-141.1	-27.2	0	0	0	109.6	R614 Q640 C641 E642	R614-D638 IonicContact NH2-OD2 2.78Å; R614-D638 PolarHBondContact NH2-OD2 3.21Å; D638-Q640 PolarHBondContact O-N 3.45Å; D638-C641 PolarHBondContact O-N 3.05Å; D638-E642 PolarHBondContact O-N 2.88Å
639	V	65.4	Low	68.7	Low	79 Å²	79	36.8 Å²	36.8	48%	0.479	20%	0.2	S	C	.	.	H	α-helix	trans	-53.5	-32	-179.8	175.7	0	0	0	0	111.5	E642 Q643	V639-E642 PolarHBondContact O-N 2.74Å; V639-Q643 WeakPolarHBondContact O-CG 3.28Å; V639-Q643 PolarHBondContact O-N 3.32Å
640	Q	63.7	Low	67.7	Low	92 Å²	92	41.1 Å²	41.1	43%	0.43	23%	0.23	S	C	.	.	H	α-helix	trans	-64.8	-40.2	178.7	-64.1	159.4	-8.6	0	0	112.6	H584 D638 Q643 A644	H584-Q640 PolarHBondContact CD2-O 2.85Å; H584-Q640 PolarHBondContact NE2-O 3.03Å; D638-Q640 PolarHBondContact O-N 3.45Å; Q640-Q643 PolarHBondContact O-N 3.45Å; Q640-A644 PolarHBondContact O-N 3.25Å
641	C	64	Low	66.7	Low	2 Å²	2	50.1 Å²	50.1	1%	0.014	26%	0.264	C	S	.	.	H	α-helix	trans	-71.2	-33.7	178.6	-65.7	0	0	0	0	112.7	L637 D638 Q643 A644 L645	L637-C641 HydrophobicContact CB-CB 4.18Å; L637-C641 HydrophobicContact CD2-CB 3.27Å; L637-C641 HydrophobicContact CG-CB 4.18Å; D638-C641 PolarHBondContact O-N 3.05Å; C641-Q643 VanDerWaalsContact C-N 3.32Å; C641-A644 PolarHBondContact O-N 3.48Å; C641-L645 PolarHBondContact O-N 3.12Å
642	E	68.8	Low	65.8	Low	20 Å²	20	50.8 Å²	50.8	9%	0.093	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-40	173	-68.8	-169.1	164.4	0	0	111.4	T634 L637 D638 V639 L645 Q646 R668	T634-E642 WeakPolarHBondContact CB-OE1 3.46Å; T634-E642 HydrophobicContact CG2-CG 4.25Å; L637-E642 HydrophobicContact CB-CG 4.49Å; D638-E642 PolarHBondContact O-N 2.88Å; V639-E642 PolarHBondContact O-N 2.74Å; E642-L645 PolarHBondContact O-N 3.47Å; E642-Q646 WeakPolarHBondContact O-CG 3.25Å; E642-Q646 PolarHBondContact O-N 2.91Å; E642-R668 IonicContact OE2-NH1 3.31Å
643	Q	68.3	Low	66	Low	96 Å²	96	54.8 Å²	54.8	45%	0.449	30%	0.297	S	S	.	.	H	α-helix	trans	-64	-44.9	175.5	-72.9	174.6	-21.1	0	0	111.5	V639 Q640 C641 L645 Q646 D647	V639-Q643 WeakPolarHBondContact O-CG 3.28Å; V639-Q643 PolarHBondContact O-N 3.32Å; Q640-Q643 PolarHBondContact O-N 3.45Å; C641-Q643 VanDerWaalsContact C-N 3.32Å; Q643-L645 VanDerWaalsContact C-N 3.32Å; Q643-L645 PolarHBondContact O-N 3.09Å; Q643-Q646 WeakPolarHBondContact O-CA 3.05Å; Q643-Q646 WeakPolarHBondContact O-CB 3.43Å; Q643-Q646 PolarHBondContact O-N 3.04Å; Q643-Q646 VanDerWaalsContact O-N 3.08Å; Q643-D647 PolarHBondContact O-N 3.39Å
644	A	67.1	Low	67.4	Low	12 Å²	12	56.1 Å²	56.1	10%	0.099	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-36	178.3	0	0	0	0	0	113.2	A582 Q640 C641 Q646 D647 W648	A582-A644 WeakPolarHBondContact O-CB 3.43Å; Q640-A644 PolarHBondContact O-N 3.25Å; C641-A644 PolarHBondContact O-N 3.48Å; A644-Q646 VanDerWaalsContact C-N 3.34Å; A644-D647 PolarHBondContact O-N 3.39Å; A644-W648 WeakPolarHBondContact O-CB 3.25Å; A644-W648 PolarHBondContact O-N 2.87Å
645	L	72.4	Confident	69.1	Low	16 Å²	16	55.7 Å²	55.7	8%	0.084	30%	0.299	C	S	.	.	H	α-helix	trans	-65.9	-35.9	172.3	-82.4	166.3	0	0	0	112.3	I617 L621 L628 L630 L637 C641 E642 Q643 N649	I617-L645 HydrophobicContact CD1-CD1 4.38Å; I617-L645 HydrophobicContact CG2-CD1 4.42Å; I617-L645 HydrophobicContact CG2-CD2 4.03Å; I617-L645 HydrophobicContact CG2-CG 4.34Å; L621-L645 HydrophobicContact CD2-CD2 4.15Å; L628-L645 HydrophobicContact CD2-CD2 3.82Å; L630-L645 HydrophobicContact CD1-CD1 3.92Å; L637-L645 HydrophobicContact CD1-CD1 4.22Å; C641-L645 PolarHBondContact O-N 3.12Å; E642-L645 PolarHBondContact O-N 3.47Å; Q643-L645 VanDerWaalsContact C-N 3.32Å; Q643-L645 PolarHBondContact O-N 3.09Å; L645-N649 WeakPolarHBondContact O-CB 3.42Å; L645-N649 PolarHBondContact O-N 2.85Å
646	Q	70.8	Confident	70.9	Confident	82 Å²	82	54 Å²	54	38%	0.383	29%	0.286	S	S	.	.	H	α-helix	trans	-67.7	-43	173.1	-73.8	178.9	-10.2	0	0	111.9	E642 Q643 A644 W648 N649 S650	E642-Q646 WeakPolarHBondContact O-CG 3.25Å; E642-Q646 PolarHBondContact O-N 2.91Å; Q643-Q646 WeakPolarHBondContact O-CA 3.05Å; Q643-Q646 WeakPolarHBondContact O-CB 3.43Å; Q643-Q646 PolarHBondContact O-N 3.04Å; Q643-Q646 VanDerWaalsContact O-N 3.08Å; A644-Q646 VanDerWaalsContact C-N 3.34Å; Q646-W648 VanDerWaalsContact C-N 3.28Å; Q646-W648 PolarHBondContact O-N 2.76Å; Q646-N649 CarbonylContact O-C 3.54Å; Q646-N649 PolarHBondContact O-N 3.28Å; Q646-N649 VanDerWaalsContact O-N 3.12Å; Q646-S650 WeakPolarHBondContact O-CB 3.38Å; Q646-S650 PolarHBondContact O-N 3.43Å; Q646-S650 PolarHBondContact O-OG 2.81Å
647	D	72.4	Confident	72.8	Confident	85 Å²	85	51.5 Å²	51.5	46%	0.455	27%	0.266	S	S	.	.	H	α-helix	trans	-64.8	-34.8	175.8	-73.2	-14.2	0	0	0	111.9	Q643 A644 S650 R651	Q643-D647 PolarHBondContact O-N 3.39Å; A644-D647 PolarHBondContact O-N 3.39Å; D647-S650 WeakPolarHBondContact CA-OG 3.34Å; D647-S650 PolarHBondContact O-OG 3.49Å; D647-R651 VanDerWaalsContact O-CD 3.32Å; D647-R651 WeakPolarHBondContact O-CD 3.36Å; D647-R651 WeakPolarHBondContact O-CG 3.19Å; D647-R651 PolarHBondContact O-NE 2.97Å
648	W	76.9	Confident	74.3	Confident	25 Å²	25	51.4 Å²	51.4	10%	0.095	27%	0.266	C	S	.	.	H	α-helix	trans	-66.6	-44.5	170.6	177.4	86.4	0	0	0	110.6	L621 P625 L628 A644 Q646 S650 R651 R654 V656	L621-W648 HydrophobicContact CD2-CD2 3.6Å; L621-W648 HydrophobicContact CD2-CE3 4.17Å; L621-W648 HydrophobicContact CD2-CG 3.79Å; L621-W648 HydrophobicContact CD2-CZ2 4.14Å; P625-W648 HydrophobicContact CG-CH2 3.98Å; P625-W648 HydrophobicContact CG-CZ2 4.04Å; P625-W648 WeakPolarHBondContact O-CH2 3.49Å; L628-W648 HydrophobicContact CB-CH2 4.1Å; L628-W648 HydrophobicContact CB-CZ3 4.04Å; L628-W648 HydrophobicContact CD2-CE3 4.18Å; L628-W648 HydrophobicContact CD2-CH2 4.12Å; L628-W648 HydrophobicContact CD2-CZ3 3.6Å; L628-W648 HydrophobicContact CG-CZ3 4.45Å; A644-W648 WeakPolarHBondContact O-CB 3.25Å; A644-W648 PolarHBondContact O-N 2.87Å; Q646-W648 VanDerWaalsContact C-N 3.28Å; Q646-W648 PolarHBondContact O-N 2.76Å; W648-S650 VanDerWaalsContact C-N 3.31Å; W648-S650 PolarHBondContact O-N 2.98Å; W648-R651 PolarHBondContact O-N 3.35Å; W648-R654 VanDerWaalsContact CD1-NH1 3.31Å; W648-R654 HydrophobicContact CH2-CB 4.47Å; W648-R654 HydrophobicContact CH2-CG 4.43Å; W648-R654 HydrophobicContact CZ3-CB 4.46Å; W648-R654 PolarHBondContact O-NH1 2.97Å; W648-V656 HydrophobicContact CZ3-CG2 4.47Å
649	N	74.6	Confident	75.6	Confident	15 Å²	15	48 Å²	48	8%	0.08	25%	0.247	C	C	.	.	H	α-helix	trans	-65.8	-31.5	178.5	-167.5	51.6	0	0	0	113.2	V498 L645 Q646 R651 R654 V656	V498-N649 WeakPolarHBondContact CG2-ND2 3.48Å; L645-N649 WeakPolarHBondContact O-CB 3.42Å; L645-N649 PolarHBondContact O-N 2.85Å; Q646-N649 CarbonylContact O-C 3.54Å; Q646-N649 PolarHBondContact O-N 3.28Å; Q646-N649 VanDerWaalsContact O-N 3.12Å; N649-R651 VanDerWaalsContact C-N 3.28Å; N649-R651 PolarHBondContact O-N 2.91Å; N649-R654 PolarHBondContact OD1-O 2.94Å; N649-V656 HydrophobicContact CB-CG2 4.31Å; N649-V656 WeakPolarHBondContact OD1-CG2 3.44Å
650	S	70.9	Confident	76	Confident	91 Å²	91	44.2 Å²	44.2	64%	0.636	23%	0.225	S	C	*	.	H	α-helix	trans	-75.2	-16.2	179.6	65.8	0	0	0	0	113.6	Q646 D647 W648 G652	Q646-S650 WeakPolarHBondContact O-CB 3.38Å; Q646-S650 PolarHBondContact O-N 3.43Å; Q646-S650 PolarHBondContact O-OG 2.81Å; D647-S650 WeakPolarHBondContact CA-OG 3.34Å; D647-S650 PolarHBondContact O-OG 3.49Å; W648-S650 VanDerWaalsContact C-N 3.31Å; W648-S650 PolarHBondContact O-N 2.98Å; S650-G652 VanDerWaalsContact C-N 3.28Å; S650-G652 PolarHBondContact O-N 3.01Å
651	R	69	Low	76.2	Confident	196 Å²	196	42.1 Å²	42.1	74%	0.74	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	5.6	-179.7	-71	168.7	-166.4	-164	5.1	114.3	D647 W648 N649	D647-R651 VanDerWaalsContact O-CD 3.32Å; D647-R651 WeakPolarHBondContact O-CD 3.36Å; D647-R651 WeakPolarHBondContact O-CG 3.19Å; D647-R651 PolarHBondContact O-NE 2.97Å; W648-R651 PolarHBondContact O-N 3.35Å; N649-R651 VanDerWaalsContact C-N 3.28Å; N649-R651 PolarHBondContact O-N 2.91Å
652	G	67.2	Low	76.2	Confident	29 Å²	29	46.9 Å²	46.9	30%	0.299	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	178.4	170.7	172.2	0	0	0	0	0	114	S650 R654	S650-G652 VanDerWaalsContact C-N 3.28Å; S650-G652 PolarHBondContact O-N 3.01Å; G652-R654 VanDerWaalsContact C-N 3.26Å; G652-R654 PolarHBondContact O-N 3.26Å
653	D	78.3	Confident	76.1	Confident	116 Å²	116	48.9 Å²	48.9	62%	0.62	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	79	176.2	-63.4	-27.8	0	0	0	110.4	P495	P495-D653 HydrophobicContact CB-CB 3.97Å
654	R	87.9	Confident	75.9	Confident	29 Å²	29	49.8 Å²	49.8	11%	0.109	25%	0.248	C	C	.	.			trans	-111.8	146.2	178.2	-58.8	-167.2	-178.5	117.5	-2.8	110.7	G496 D624 P625 W648 N649 G652	G496-R654 WeakPolarHBondContact CA-O 3.28Å; G496-R654 PolarHBondContact N-O 3.22Å; D624-R654 IonicContact OD1-CZ 3.9Å; D624-R654 IonicContact OD1-NE 2.6Å; D624-R654 PolarHBondContact OD1-NE 3.36Å; D624-R654 IonicContact OD1-NH2 3.21Å; D624-R654 PolarHBondContact OD1-NH2 3.48Å; D624-R654 IonicContact OD2-NH2 3.16Å; P625-R654 WeakPolarHBondContact O-CD 3.24Å; W648-R654 VanDerWaalsContact CD1-NH1 3.31Å; W648-R654 HydrophobicContact CH2-CB 4.47Å; W648-R654 HydrophobicContact CH2-CG 4.43Å; W648-R654 HydrophobicContact CZ3-CB 4.46Å; W648-R654 PolarHBondContact O-NH1 2.97Å; N649-R654 PolarHBondContact OD1-O 2.94Å; G652-R654 VanDerWaalsContact C-N 3.26Å; G652-R654 PolarHBondContact O-N 3.26Å
655	T	91.5	Very high	75.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	124.9	-179.3	-58.5	0	0	0	0	109.2	G466 L493 R494 P495 R626 V627 L628	G466-T655 WeakPolarHBondContact O-CB 3.49Å; G466-T655 PolarHBondContact O-OG1 3.21Å; L493-T655 HydrophobicContact CB-CG2 3.51Å; L493-T655 HydrophobicContact CD1-CG2 4.47Å; R494-T655 PolarHBondContact O-OG1 3.35Å; P495-T655 VanDerWaalsContact CA-OG1 3.31Å; P495-T655 WeakPolarHBondContact CA-OG1 3.41Å; R626-T655 PolarHBondContact O-N 2.94Å; V627-T655 CarbonylContact C-O 3.45Å; V627-T655 WeakPolarHBondContact CA-O 3.44Å; V627-T655 HydrophobicContact CG1-CG2 4.48Å; L628-T655 PolarHBondContact N-O 3.49Å
656	V	90.6	Very high	75.8	Confident	9 Å²	9	49.2 Å²	49.2	6%	0.055	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.8	-179.9	-176	0	0	0	0	110.7	E497 V498 T499 L628 L630 W648 N649 V658	E497-V656 PolarHBondContact O-N 2.9Å; V498-V656 HydrophobicContact CG1-CG1 4.44Å; V498-V656 HydrophobicContact CG2-CB 4.33Å; T499-V656 PolarHBondContact N-O 3.38Å; L628-V656 HydrophobicContact CB-CG2 4.42Å; L628-V656 CarbonylContact O-C 3.57Å; L628-V656 WeakPolarHBondContact O-CA 3.49Å; L630-V656 HydrophobicContact CD1-CG1 4.42Å; W648-V656 HydrophobicContact CZ3-CG2 4.47Å; N649-V656 HydrophobicContact CB-CG2 4.31Å; N649-V656 WeakPolarHBondContact OD1-CG2 3.44Å; V656-V658 HydrophobicContact CG1-CG2 3.82Å
657	L	91.1	Very high	75.8	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	113.7	170.8	179.2	65.3	0	0	0	109.5	L493 T499 L501 V512 L516 L628 I629 L630	L493-L657 HydrophobicContact CD1-CB 4.2Å; L493-L657 HydrophobicContact CD1-CD1 4.41Å; L493-L657 HydrophobicContact CD1-CD2 4.36Å; L493-L657 HydrophobicContact CD2-CD1 4.18Å; T499-L657 HydrophobicContact CG2-CD1 4.31Å; T499-L657 WeakPolarHBondContact O-CA 3.46Å; L501-L657 HydrophobicContact CB-CD1 4.08Å; V512-L657 HydrophobicContact CG1-CD2 4.41Å; L516-L657 HydrophobicContact CD1-CD2 3.44Å; L516-L657 VanDerWaalsContact CD1-CD2 3.44Å; L628-L657 PolarHBondContact O-N 3.45Å; I629-L657 CarbonylContact C-O 3.6Å; I629-L657 WeakPolarHBondContact CA-O 3.36Å; I629-L657 HydrophobicContact CG1-CB 4.4Å; I629-L657 HydrophobicContact CG2-CD2 4.22Å; L630-L657 PolarHBondContact N-O 2.84Å
658	V	88.8	Confident	75.6	Confident	12 Å²	12	53.3 Å²	53.3	7%	0.073	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	114.7	176.2	-170.7	0	0	0	0	109.1	V498 T499 A500 L501 L630 V656 A660 A665	V498-V658 HydrophobicContact CG1-CG2 3.78Å; T499-V658 PolarHBondContact O-N 3.34Å; A500-V658 CarbonylContact C-O 3.18Å; A500-V658 VanDerWaalsContact CA-O 3.29Å; A500-V658 WeakPolarHBondContact CA-O 3.27Å; L501-V658 PolarHBondContact N-O 3.16Å; L630-V658 HydrophobicContact CD1-CG2 4.36Å; V656-V658 HydrophobicContact CG1-CG2 3.82Å; V658-A660 HydrophobicContact CG1-CB 3.98Å; V658-A660 PolarHBondContact O-N 3.16Å; V658-A665 HydrophobicContact CG1-CB 4.46Å
659	I	87.7	Confident	75.7	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	99.6	167.5	-54.9	170.2	0	0	0	106.3	L501 K509 A513 L630 D631 E632	L501-I659 HydrophobicContact CB-CG1 4.33Å; L501-I659 HydrophobicContact CD2-CG1 4.28Å; K509-I659 HydrophobicContact CB-CD1 4.31Å; K509-I659 HydrophobicContact CB-CG2 3.57Å; K509-I659 HydrophobicContact CD-CG2 3.74Å; K509-I659 HydrophobicContact CG-CG2 4.23Å; K509-I659 WeakPolarHBondContact O-CD1 3.48Å; A513-I659 HydrophobicContact CB-CD1 3.96Å; L630-I659 PolarHBondContact O-N 3.05Å; D631-I659 HydrophobicContact CB-CD1 4.05Å; D631-I659 WeakPolarHBondContact OD1-CB 3.26Å; D631-I659 WeakPolarHBondContact OD1-CG2 3.31Å; E632-I659 WeakPolarHBondContact CA-O 3.48Å; E632-I659 PolarHBondContact N-O 3.04Å
660	A	74	Confident	76.2	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.284	C	S	.	.			trans	-115	136.2	-174.4	0	0	0	0	0	110.9	L501 V658 A665 V666	L501-A660 PolarHBondContact O-N 3.33Å; V658-A660 HydrophobicContact CG1-CB 3.98Å; V658-A660 PolarHBondContact O-N 3.16Å; A660-A665 HydrophobicContact CB-CB 3.78Å; A660-V666 HydrophobicContact CB-CG2 4Å
661	H	69.1	Low	76.9	Confident	48 Å²	48	56.7 Å²	56.7	22%	0.222	27%	0.265	C	S	.	.			trans	-94.2	-16.2	159.8	-81	-91.1	0	0	0	112	G503 N505 K509 E632 R700	G503-H661 PolarHBondContact O-CE1 3.45Å; G503-H661 VanDerWaalsContact O-CE1 3.27Å; N505-H661 PolarHBondContact OD1-CE1 2.67Å; N505-H661 VanDerWaalsContact OD1-CE1 3.23Å; K509-H661 WeakPolarHBondContact CE-NE2 3.45Å; K509-H661 PolarHBondContact NZ-CE1 3.31Å; K509-H661 VanDerWaalsContact NZ-CE1 3.33Å; K509-H661 PolarHBondContact NZ-NE2 3.45Å; E632-H661 VanDerWaalsContact CD-CD2 3.4Å; E632-H661 IonicContact OE1-CD2 3.52Å; E632-H661 PolarHBondContact OE1-CD2 3.14Å; E632-H661 IonicContact OE1-NE2 3.53Å; E632-H661 PolarHBondContact OE1-NE2 3.46Å; E632-H661 VanDerWaalsContact OE1-NE2 3.1Å; H661-R700 PolarHBondContact O-NH1 3.21Å
662	R	63.8	Low	77.8	Confident	103 Å²	103	50.1 Å²	50.1	39%	0.389	24%	0.244	S	C	.	.	S	Bend	trans	-90	135.1	-175.5	-71.3	-175.4	167.8	178.7	-4.4	112.2	T634 S635 Q664 A665 V666	T634-R662 PolarHBondContact O-NH1 2.92Å; S635-R662 PolarHBondContact O-NH1 3.31Å; S635-R662 VanDerWaalsContact O-NH1 3.1Å; S635-R662 PolarHBondContact O-NH2 3.04Å; R662-Q664 VanDerWaalsContact C-N 3.31Å; R662-Q664 PolarHBondContact O-N 2.96Å; R662-A665 PolarHBondContact O-N 3.44Å; R662-V666 WeakPolarHBondContact O-CG2 3.14Å; R662-V666 PolarHBondContact O-N 3.44Å
663	L	64.9	Low	78.8	Confident	61 Å²	61	49.6 Å²	49.6	32%	0.319	23%	0.234	S	C	.	.	H	α-helix	trans	-61.3	-37.7	-176.4	-146.6	83.6	0	0	0	113.3	A665 V666 Q667 V697	L663-A665 PolarHBondContact O-N 3.1Å; L663-V666 WeakPolarHBondContact O-CB 3.45Å; L663-V666 PolarHBondContact O-N 3.09Å; L663-V666 VanDerWaalsContact O-N 3.13Å; L663-Q667 WeakPolarHBondContact O-CG 3.3Å; L663-Q667 PolarHBondContact O-N 3.43Å; L663-V697 HydrophobicContact CD1-CB 4.24Å; L663-V697 HydrophobicContact CD1-CG2 3.31Å; L663-V697 HydrophobicContact CD2-CG1 4.14Å; L663-V697 HydrophobicContact CD2-CG2 4.11Å; L663-V697 HydrophobicContact CG-CG2 4.3Å
664	Q	64.6	Low	79.3	Confident	115 Å²	115	44.8 Å²	44.8	54%	0.537	21%	0.209	S	C	.	.	H	α-helix	trans	-63.7	-41	-176.7	-67.5	171.2	-7.9	0	0	112.4	R662 V666 Q667 R668	R662-Q664 VanDerWaalsContact C-N 3.31Å; R662-Q664 PolarHBondContact O-N 2.96Å; Q664-V666 VanDerWaalsContact C-N 3.29Å; Q664-V666 PolarHBondContact O-N 3.2Å; Q664-Q667 PolarHBondContact O-N 2.85Å; Q664-R668 PolarHBondContact O-N 3.04Å
665	A	65.1	Low	79.3	Confident	13 Å²	13	43.4 Å²	43.4	11%	0.107	20%	0.204	C	C	.	.	H	α-helix	trans	-67.7	-31	175.4	0	0	0	0	0	112.1	V658 A660 R662 L663	V658-A665 HydrophobicContact CG1-CB 4.46Å; A660-A665 HydrophobicContact CB-CB 3.78Å; R662-A665 PolarHBondContact O-N 3.44Å; L663-A665 PolarHBondContact O-N 3.1Å
666	V	72.3	Confident	79.1	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.024	22%	0.217	C	C	.	.	H	α-helix	trans	-75.9	-40.3	177.6	179.7	0	0	0	0	111.7	A500 V502 A660 R662 L663 Q664 R668 A669 I672 Y693	A500-V666 HydrophobicContact CB-CG1 4.46Å; A500-V666 HydrophobicContact CB-CG2 4.33Å; V502-V666 HydrophobicContact CG2-CB 4.44Å; V502-V666 HydrophobicContact CG2-CG1 4.05Å; V502-V666 HydrophobicContact CG2-CG2 3.46Å; V502-V666 VanDerWaalsContact CG2-CG2 3.46Å; A660-V666 HydrophobicContact CB-CG2 4Å; R662-V666 WeakPolarHBondContact O-CG2 3.14Å; R662-V666 PolarHBondContact O-N 3.44Å; L663-V666 WeakPolarHBondContact O-CB 3.45Å; L663-V666 PolarHBondContact O-N 3.09Å; L663-V666 VanDerWaalsContact O-N 3.13Å; Q664-V666 VanDerWaalsContact C-N 3.29Å; Q664-V666 PolarHBondContact O-N 3.2Å; V666-R668 PolarHBondContact O-N 3.48Å; V666-A669 WeakPolarHBondContact O-CB 3.32Å; V666-A669 PolarHBondContact O-N 3.09Å; V666-I672 HydrophobicContact CG1-CD1 3.7Å; V666-I672 HydrophobicContact CG1-CG1 4.02Å; V666-I672 HydrophobicContact CG1-CG2 4.02Å; V666-Y693 HydrophobicContact CG1-CE2 4.04Å
667	Q	70.6	Confident	78.9	Confident	130 Å²	130	52.6 Å²	52.6	61%	0.607	25%	0.246	S	C	*	.	H	α-helix	trans	-62.4	-27.8	179.9	-78.6	177.2	-19.4	0	0	113.7	L663 Q664	L663-Q667 WeakPolarHBondContact O-CG 3.3Å; L663-Q667 PolarHBondContact O-N 3.43Å; Q664-Q667 PolarHBondContact O-N 2.85Å
668	R	69.7	Low	78.7	Confident	123 Å²	123	52.6 Å²	52.6	46%	0.464	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-0.5	-179	-63.4	-178.7	178	167.6	-3.8	113.4	E642 Q664 V666	E642-R668 IonicContact OE2-NH1 3.31Å; Q664-R668 PolarHBondContact O-N 3.04Å; V666-R668 PolarHBondContact O-N 3.48Å
669	A	77.9	Confident	78.7	Confident	17 Å²	17	57.8 Å²	57.8	14%	0.14	27%	0.268	C	S	.	.			trans	-79.9	143.5	179.4	0	0	0	0	0	111.3	V498 A500 V666 I672	V498-A669 HydrophobicContact CG1-CB 4.48Å; V498-A669 CarbonylContact O-C 3.57Å; A500-A669 HydrophobicContact CB-CB 3.52Å; V666-A669 WeakPolarHBondContact O-CB 3.32Å; V666-A669 PolarHBondContact O-N 3.09Å; A669-I672 HydrophobicContact CB-CG1 4.34Å
670	H	84.6	Confident	78.7	Confident	131 Å²	131	59.9 Å²	59.9	61%	0.606	28%	0.279	S	S	*	.	S	Bend	trans	-74.9	-34.2	175.7	-60.8	76.7	0	0	0	110.8	E497 V498	E497-H670 HydrophobicContact CB-CB 4.18Å; E497-H670 HydrophobicContact CG-CB 4.28Å; V498-H670 PolarHBondContact N-ND1 3.11Å; V498-H670 PolarHBondContact O-N 2.6Å
671	Q	86.1	Confident	79.2	Confident	54 Å²	54	63.1 Å²	63.1	25%	0.252	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.4	177.7	-175.8	177.2	-9.1	0	0	110	T492 V498 T499 A500 L673	T492-Q671 PolarHBondContact O-OE1 2.84Å; V498-Q671 PolarHBondContact O-N 3.12Å; T499-Q671 CarbonylContact C-O 3.58Å; T499-Q671 VanDerWaalsContact CA-O 3.31Å; T499-Q671 WeakPolarHBondContact CA-O 3.5Å; T499-Q671 HydrophobicContact CG2-CB 4.12Å; T499-Q671 HydrophobicContact CG2-CG 4.16Å; A500-Q671 PolarHBondContact N-O 3.21Å; Q671-L673 HydrophobicContact CG-CD2 4.49Å
672	I	87.6	Confident	79.1	Confident	58 Å²	58	68.4 Å²	68.4	30%	0.297	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	125.9	177.1	-57.1	168.8	0	0	0	108.8	A500 V502 V666 A669 V674	A500-I672 CarbonylContact O-C 3.57Å; A500-I672 WeakPolarHBondContact O-CA 3.26Å; V502-I672 HydrophobicContact CG2-CG2 4.35Å; V666-I672 HydrophobicContact CG1-CD1 3.7Å; V666-I672 HydrophobicContact CG1-CG1 4.02Å; V666-I672 HydrophobicContact CG1-CG2 4.02Å; A669-I672 HydrophobicContact CB-CG1 4.34Å; I672-V674 HydrophobicContact CG2-CG2 4.33Å
673	L	88.9	Confident	78.6	Confident	18 Å²	18	69.6 Å²	69.6	9%	0.094	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	118.8	177.2	-64.3	178.5	0	0	0	109.1	F491 T499 A500 L501 V502 Q671 L680	F491-L673 HydrophobicContact CB-CD1 4.15Å; F491-L673 HydrophobicContact CB-CD2 4.29Å; F491-L673 HydrophobicContact CD2-CD1 3.43Å; F491-L673 VanDerWaalsContact CD2-CD1 3.43Å; F491-L673 HydrophobicContact CE2-CD1 3.88Å; F491-L673 HydrophobicContact CG-CD1 3.79Å; T499-L673 HydrophobicContact CG2-CD1 3.69Å; T499-L673 HydrophobicContact CG2-CG 3.91Å; A500-L673 PolarHBondContact O-N 3.36Å; L501-L673 WeakPolarHBondContact CA-O 3.25Å; L501-L673 HydrophobicContact CD1-CB 3.73Å; V502-L673 PolarHBondContact N-O 2.91Å; Q671-L673 HydrophobicContact CG-CD2 4.49Å; L673-L680 HydrophobicContact CB-CD2 3.92Å; L673-L680 HydrophobicContact CD2-CD2 4.2Å
674	V	88.3	Confident	77.5	Confident	15 Å²	15	69.6 Å²	69.6	9%	0.091	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115.7	178.2	-175.7	0	0	0	0	109.6	V502 I672 Q681 L686	V502-V674 CarbonylContact O-C 3.4Å; V502-V674 WeakPolarHBondContact O-CA 3.4Å; I672-V674 HydrophobicContact CG2-CG2 4.33Å; V674-Q681 HydrophobicContact CB-CB 4.43Å; V674-Q681 PolarHBondContact O-N 2.71Å; V674-L686 HydrophobicContact CG2-CD1 4.18Å
675	L	88.8	Confident	76.5	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	119.8	-178	-171.3	67.9	0	0	0	110.9	L486 L489 L501 V502 G503 S507 K509	L486-L675 HydrophobicContact CD2-CD2 4.43Å; L489-L675 HydrophobicContact CD2-CD1 3.69Å; L489-L675 HydrophobicContact CG-CD1 4.34Å; L501-L675 HydrophobicContact CD1-CB 4.05Å; V502-L675 PolarHBondContact O-N 2.86Å; G503-L675 WeakPolarHBondContact CA-O 3.49Å; S507-L675 VanDerWaalsContact CB-O 3.28Å; S507-L675 WeakPolarHBondContact CB-O 3.4Å; S507-L675 WeakPolarHBondContact O-CD2 3.44Å; S507-L675 WeakPolarHBondContact O-CG 3.4Å; S507-L675 PolarHBondContact OG-O 3.4Å; K509-L675 HydrophobicContact CG-CD2 4.14Å
676	Q	86.8	Confident	75.7	Confident	56 Å²	56	71.3 Å²	71.3	26%	0.262	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	128.3	178.3	-171.4	174.9	6.4	0	0	110.3	G678 K679 Q681	Q676-G678 PolarHBondContact O-N 2.89Å; Q676-K679 PolarHBondContact N-O 3.36Å; Q676-K679 PolarHBondContact O-N 2.84Å; Q676-Q681 HydrophobicContact CB-CG 4.22Å
677	E	86.3	Confident	74.2	Confident	146 Å²	146	79.2 Å²	79.2	68%	0.682	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	32.4	179.3	-61.9	-178.2	-172.8	0	0	115	K487	K487-E677 PolarHBondContact NZ-O 3.16Å; K487-E677 VanDerWaalsContact NZ-O 3.16Å
678	G	85.9	Confident	72.7	Confident	1 Å²	1	81.7 Å²	81.7	1%	0.01	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	10	-179.2	0	0	0	0	0	115.7	V485 K487 L489 S507 Q676	V485-G678 WeakPolarHBondContact O-CA 3.42Å; K487-G678 PolarHBondContact N-O 3.4Å; L489-G678 VanDerWaalsContact CD1-O 3.28Å; L489-G678 WeakPolarHBondContact CD1-O 3.44Å; S507-G678 PolarHBondContact O-N 3.32Å; Q676-G678 PolarHBondContact O-N 2.89Å
679	K	89.9	Confident	71.3	Confident	121 Å²	121	77.9 Å²	77.9	53%	0.526	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	147.3	178.2	-65.6	-176.5	178	-179	0	111.5	K487 Q676	K487-K679 HydrophobicContact CB-CG 3.9Å; K487-K679 HydrophobicContact CD-CG 4.46Å; Q676-K679 PolarHBondContact N-O 3.36Å; Q676-K679 PolarHBondContact O-N 2.84Å
680	L	88.4	Confident	69.8	Low	43 Å²	43	85 Å²	85	23%	0.225	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	130	171.4	-78.9	166.9	0	0	0	110.3	L489 T490 F491 L673	L489-L680 HydrophobicContact CD2-CD1 4.34Å; L489-L680 HydrophobicContact CD2-CG 4.19Å; L489-L680 HydrophobicContact CG-CD1 4.49Å; L489-L680 HydrophobicContact CG-CG 4.42Å; T490-L680 WeakPolarHBondContact O-CD1 3.46Å; F491-L680 HydrophobicContact CB-CD1 3.94Å; F491-L680 HydrophobicContact CD1-CD1 3.59Å; F491-L680 HydrophobicContact CE1-CD1 4.49Å; F491-L680 HydrophobicContact CG-CD1 4.12Å; L673-L680 HydrophobicContact CB-CD2 3.92Å; L673-L680 HydrophobicContact CD2-CD2 4.2Å
681	Q	83.3	Confident	68.3	Low	69 Å²	69	80.6 Å²	80.6	32%	0.322	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-79.8	142.7	173.6	-67.1	-67.9	5.8	0	0	110.9	V674 Q676	V674-Q681 HydrophobicContact CB-CB 4.43Å; V674-Q681 PolarHBondContact O-N 2.71Å; Q676-Q681 HydrophobicContact CB-CG 4.22Å
682	K	66.6	Low	66.7	Low	158 Å²	158	80.7 Å²	80.7	69%	0.687	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-80.1	140.3	177	-71.6	-178.1	179.2	178.8	0	110.5	A684 Q685	K682-A684 PolarHBondContact O-N 3Å; K682-A684 VanDerWaalsContact O-N 3.14Å; K682-Q685 WeakPolarHBondContact O-CB 3.32Å; K682-Q685 PolarHBondContact O-N 3.25Å
683	L	54.2	Low	65	Low	128 Å²	128	81.6 Å²	81.6	67%	0.67	41%	0.407	S	S	*	.	H	α-helix	trans	-54.9	-34.4	-179.5	-126.1	100.7	0	0	0	113.6	Q685 L686	L683-Q685 VanDerWaalsContact C-N 3.31Å; L683-Q685 PolarHBondContact O-N 3.09Å; L683-L686 WeakPolarHBondContact O-CB 3.46Å; L683-L686 PolarHBondContact O-N 3Å
684	A	41.8	Very low	63.2	Low	61 Å²	61	82.7 Å²	82.7	50%	0.504	42%	0.416	S	S	.	.	H	α-helix	trans	-64.2	-32.2	177.2	0	0	0	0	0	113.3	K682 L686 Q687 E688	K682-A684 PolarHBondContact O-N 3Å; K682-A684 VanDerWaalsContact O-N 3.14Å; A684-L686 VanDerWaalsContact C-N 3.28Å; A684-L686 PolarHBondContact O-N 3.21Å; A684-Q687 PolarHBondContact O-N 3.49Å; A684-E688 PolarHBondContact O-N 3.25Å
685	Q	43.9	Very low	61.6	Low	118 Å²	118	87.7 Å²	87.7	55%	0.551	43%	0.433	S	S	*	.	H	α-helix	trans	-75	-16.8	177.3	-72.9	172.4	-40.3	0	0	113	K682 L683	K682-Q685 WeakPolarHBondContact O-CB 3.32Å; K682-Q685 PolarHBondContact O-N 3.25Å; L683-Q685 VanDerWaalsContact C-N 3.31Å; L683-Q685 PolarHBondContact O-N 3.09Å
686	L	47	Very low	59.8	Low	46 Å²	46	91 Å²	91	24%	0.241	45%	0.451	C	S	.	.	H	α-helix	trans	-78.8	-26.3	172.8	-69	163.3	0	0	0	111.9	V674 L683 A684	V674-L686 HydrophobicContact CG2-CD1 4.18Å; L683-L686 WeakPolarHBondContact O-CB 3.46Å; L683-L686 PolarHBondContact O-N 3Å; A684-L686 VanDerWaalsContact C-N 3.28Å; A684-L686 PolarHBondContact O-N 3.21Å
687	Q	41.6	Very low	58	Low	170 Å²	170	89.9 Å²	89.9	79%	0.794	45%	0.447	S	S	*	.	H	α-helix	trans	-91	-29	-178.5	-71.3	-173.7	-31.2	0	0	114	A684	A684-Q687 PolarHBondContact O-N 3.49Å
688	E	39.2	Very low	56.1	Low	182 Å²	182	88.8 Å²	88.8	85%	0.85	44%	0.442	S	S	*	.	S	Bend	trans	-96.7	-5.2	-172.6	-79.1	-177.5	155.7	0	0	115.8	A684	A684-E688 PolarHBondContact O-N 3.25Å
689	G	40.8	Very low	54.1	Low	44 Å²	44	95.3 Å²	95.3	45%	0.454	47%	0.473	S	S	.	.	S	Bend	trans	-158.6	112.7	-178.7	0	0	0	0	0	115.2	D691	G689-D691 PolarHBondContact O-N 2.72Å; G689-D691 VanDerWaalsContact O-N 3.15Å
690	Q	46.5	Very low	51.9	Low	165 Å²	165	95.8 Å²	95.8	77%	0.771	47%	0.471	S	S	*	.	S	Bend	trans	34.7	68.1	154.5	-63.4	-172.5	-9.6	0	0	115.1	L692	Q690-L692 PolarHBondContact O-N 3.37Å
691	D	53.4	Low	49.4	Very low	39 Å²	39	100.4 Å²	100.4	21%	0.209	50%	0.495	C	S	.	.			trans	-43.5	119.8	-167.4	-140.9	-5.8	0	0	0	115.7	G689 Y693 S694 R695	G689-D691 PolarHBondContact O-N 2.72Å; G689-D691 VanDerWaalsContact O-N 3.15Å; D691-Y693 PolarHBondContact O-N 3.07Å; D691-Y693 WeakPolarHBondContact OD1-CB 3.25Å; D691-Y693 PolarHBondContact OD1-N 3.19Å; D691-S694 VanDerWaalsContact CB-CB 3.41Å; D691-S694 WeakPolarHBondContact CB-OG 3.44Å; D691-S694 PolarHBondContact O-OG 2.89Å; D691-S694 WeakPolarHBondContact OD2-CB 3.42Å; D691-S694 PolarHBondContact OD2-N 3.2Å; D691-S694 VanDerWaalsContact OD2-N 3.08Å; D691-R695 VanDerWaalsContact O-CB 3.3Å; D691-R695 WeakPolarHBondContact O-CB 3.44Å; D691-R695 VanDerWaalsContact O-CG 3.24Å; D691-R695 WeakPolarHBondContact O-CG 3.49Å; D691-R695 PolarHBondContact O-N 3.08Å
692	L	50.6	Low	47	Very low	57 Å²	57	105.3 Å²	105.3	30%	0.298	52%	0.52	S	S	.	.	H	α-helix	trans	-64.9	-30.1	163.5	-155.9	92.5	0	0	0	110.4	Q690 L696	Q690-L692 PolarHBondContact O-N 3.37Å; L692-L696 HydrophobicContact CD2-CD1 4.37Å; L692-L696 HydrophobicContact CG-CD1 4.47Å; L692-L696 VanDerWaalsContact O-CB 3.28Å; L692-L696 WeakPolarHBondContact O-CB 3.34Å; L692-L696 WeakPolarHBondContact O-CD1 3.5Å; L692-L696 VanDerWaalsContact O-CG 3.24Å; L692-L696 WeakPolarHBondContact O-CG 2.96Å; L692-L696 PolarHBondContact O-N 3.04Å
693	Y	51.9	Low	45.3	Very low	76 Å²	76	107.2 Å²	107.2	30%	0.298	54%	0.538	S	S	.	.	H	α-helix	trans	-70	-52.3	174.4	-174.3	-100.4	0	0	0	110.6	V666 D691 R695 L696 V697	V666-Y693 HydrophobicContact CG1-CE2 4.04Å; D691-Y693 PolarHBondContact O-N 3.07Å; D691-Y693 WeakPolarHBondContact OD1-CB 3.25Å; D691-Y693 PolarHBondContact OD1-N 3.19Å; Y693-R695 VanDerWaalsContact C-N 3.33Å; Y693-R695 PolarHBondContact O-N 3.31Å; Y693-L696 PolarHBondContact O-N 3.18Å; Y693-V697 HydrophobicContact CD1-CG2 4.28Å; Y693-V697 HydrophobicContact CE1-CG2 4.26Å; Y693-V697 WeakPolarHBondContact O-CB 3.43Å; Y693-V697 WeakPolarHBondContact O-CG2 3.43Å; Y693-V697 PolarHBondContact O-N 3.4Å
694	S	52.7	Low	44.8	Very low	42 Å²	42	106.2 Å²	106.2	29%	0.294	53%	0.532	S	S	.	.	H	α-helix	trans	-61.4	-33.7	171.8	87.8	0	0	0	0	113.8	D691 V697 Q698	D691-S694 VanDerWaalsContact CB-CB 3.41Å; D691-S694 WeakPolarHBondContact CB-OG 3.44Å; D691-S694 PolarHBondContact O-OG 2.89Å; D691-S694 WeakPolarHBondContact OD2-CB 3.42Å; D691-S694 PolarHBondContact OD2-N 3.2Å; D691-S694 VanDerWaalsContact OD2-N 3.08Å; S694-V697 PolarHBondContact O-N 3.26Å; S694-Q698 WeakPolarHBondContact O-CB 3.47Å; S694-Q698 VanDerWaalsContact O-CG 3.25Å; S694-Q698 WeakPolarHBondContact O-CG 3.42Å; S694-Q698 PolarHBondContact O-N 3.4Å
695	R	53.7	Low	45	Very low	119 Å²	119	108.6 Å²	108.6	45%	0.449	53%	0.533	S	S	.	.	H	α-helix	trans	-69.7	-39.6	174.4	-76.4	178.5	-162.9	166.7	4.7	112.6	D691 Y693 V697 Q698 Q699	D691-R695 VanDerWaalsContact O-CB 3.3Å; D691-R695 WeakPolarHBondContact O-CB 3.44Å; D691-R695 VanDerWaalsContact O-CG 3.24Å; D691-R695 WeakPolarHBondContact O-CG 3.49Å; D691-R695 PolarHBondContact O-N 3.08Å; Y693-R695 VanDerWaalsContact C-N 3.33Å; Y693-R695 PolarHBondContact O-N 3.31Å; R695-V697 VanDerWaalsContact C-N 3.32Å; R695-Q698 PolarHBondContact O-N 3.36Å; R695-Q699 WeakPolarHBondContact O-CB 3.41Å; R695-Q699 PolarHBondContact O-N 2.85Å
696	L	51	Low	45.1	Very low	70 Å²	70	108.1 Å²	108.1	37%	0.366	53%	0.532	S	S	.	.	H	α-helix	trans	-67.9	-32.9	173.2	-79.2	165.2	0	0	0	111.9	L692 Y693	L692-L696 HydrophobicContact CD2-CD1 4.37Å; L692-L696 HydrophobicContact CG-CD1 4.47Å; L692-L696 VanDerWaalsContact O-CB 3.28Å; L692-L696 WeakPolarHBondContact O-CB 3.34Å; L692-L696 WeakPolarHBondContact O-CD1 3.5Å; L692-L696 VanDerWaalsContact O-CG 3.24Å; L692-L696 WeakPolarHBondContact O-CG 2.96Å; L692-L696 PolarHBondContact O-N 3.04Å; Y693-L696 PolarHBondContact O-N 3.18Å
697	V	50.3	Low	44.9	Very low	32 Å²	32	111.7 Å²	111.7	19%	0.194	55%	0.549	C	S	.	.	H	α-helix	trans	-68.6	-45.8	170.9	175.8	0	0	0	0	110.7	L663 Y693 S694 R695 L701	L663-V697 HydrophobicContact CD1-CB 4.24Å; L663-V697 HydrophobicContact CD1-CG2 3.31Å; L663-V697 HydrophobicContact CD2-CG1 4.14Å; L663-V697 HydrophobicContact CD2-CG2 4.11Å; L663-V697 HydrophobicContact CG-CG2 4.3Å; Y693-V697 HydrophobicContact CD1-CG2 4.28Å; Y693-V697 HydrophobicContact CE1-CG2 4.26Å; Y693-V697 WeakPolarHBondContact O-CB 3.43Å; Y693-V697 WeakPolarHBondContact O-CG2 3.43Å; Y693-V697 PolarHBondContact O-N 3.4Å; S694-V697 PolarHBondContact O-N 3.26Å; R695-V697 VanDerWaalsContact C-N 3.32Å; V697-L701 HydrophobicContact CG1-CD1 3.93Å; V697-L701 PolarHBondContact O-N 2.97Å
698	Q	44.9	Very low	45.1	Very low	123 Å²	123	108.1 Å²	108.1	58%	0.575	53%	0.534	S	S	*	.	H	α-helix	trans	-72	-40.5	-177.4	-81.3	177.7	-16.8	0	0	113.2	S694 R695 R700 L701	S694-Q698 WeakPolarHBondContact O-CB 3.47Å; S694-Q698 VanDerWaalsContact O-CG 3.25Å; S694-Q698 WeakPolarHBondContact O-CG 3.42Å; S694-Q698 PolarHBondContact O-N 3.4Å; R695-Q698 PolarHBondContact O-N 3.36Å; Q698-R700 PolarHBondContact O-N 2.84Å; Q698-L701 PolarHBondContact O-N 3.38Å
699	Q	44.7	Very low	45.5	Very low	138 Å²	138	103.1 Å²	103.1	65%	0.645	51%	0.513	S	S	*	.	H	α-helix	trans	-64.2	-23.4	177.5	-89	-175.4	-41.5	0	0	113.1	R695	R695-Q699 WeakPolarHBondContact O-CB 3.41Å; R695-Q699 PolarHBondContact O-N 2.85Å
700	R	42.8	Very low	45.9	Very low	131 Å²	131	107.4 Å²	107.4	49%	0.494	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-5.4	179.1	-80.6	-168.6	179.2	-176.1	5.4	115.4	H661 Q698 M702	H661-R700 PolarHBondContact O-NH1 3.21Å; Q698-R700 PolarHBondContact O-N 2.84Å; R700-M702 VanDerWaalsContact C-N 3.31Å
701	L	36.3	Very low	45.8	Very low	140 Å²	140	102.9 Å²	102.9	73%	0.733	50%	0.497	S	S	*	.	S	Bend	trans	-86.7	-7.8	168.7	-82.7	160	0	0	0	111.8	V697 Q698	V697-L701 HydrophobicContact CG1-CD1 3.93Å; V697-L701 PolarHBondContact O-N 2.97Å; Q698-L701 PolarHBondContact O-N 3.38Å
702	M	32.4	Very low	45.2	Very low	173 Å²	173	108.3 Å²	108.3	85%	0.852	52%	0.521	S	S	*	.			trans	-108.2	-5.9	179.9	-66.4	-141.7	179.7	0	0	114.7	R700	R700-M702 VanDerWaalsContact C-N 3.31Å
703	D	31.2	Very low	44.7	Very low	198 Å²	198	112.9 Å²	112.9	100%	1.059	54%	0.542	S	S	*	.			trans	-108	0	168.2	-70.8	-22.9	0	0	0	108.6

Retrieved 703 of 703 residues in 251.6 ms (Link to these results)

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