A0A087Y8T3_POEFO Loading...

aromatase

Catalyzes the formation of aromatic C18 estrogens from C19 androgens.

AlphaFold DB , UniProt , Accession A0A087Y8T3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 519 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	V	55.5	Low	56	Low	159 Å²	159	106.4 Å²	106.4	96%	0.964	61%	0.608	S	S	*	*				0	-36.5	0	-171.4	0	0	0	0	112.8
2	V	55.7	Low	55.7	Low	112 Å²	112	111.8 Å²	111.8	68%	0.679	62%	0.619	S	S	*	*	H	α-helix	trans	-73.7	-31.9	-179.6	-176.7	0	0	0	0	114.5
3	G	53.1	Low	55.4	Low	57 Å²	57	119.4 Å²	119.4	59%	0.588	64%	0.635	S	S	*	*	H	α-helix	trans	-74.6	-23.2	179.9	0	0	0	0	0	115.9	T7	G3-T7 PolarHBondContact O-OG1 3.26Å
4	M	54.7	Low	55	Low	138 Å²	138	121.8 Å²	121.8	68%	0.68	64%	0.641	S	S	*	*	H	α-helix	trans	-79.7	-32.3	178.2	-113.2	169	71.3	0	0	112.1	T7 E8	M4-T7 WeakPolarHBondContact CA-OG1 3.5Å; M4-T7 PolarHBondContact O-OG1 3.1Å; M4-T7 VanDerWaalsContact O-OG1 3.12Å; M4-E8 PolarHBondContact O-N 2.95Å; M4-E8 VanDerWaalsContact O-N 3.09Å
5	Q	56.2	Low	54.9	Low	126 Å²	126	123.3 Å²	123.3	59%	0.589	65%	0.649	S	S	*	*	H	α-helix	trans	-72.5	-31.9	177.4	-76.7	-179.7	-28.4	0	0	112.7	A9	Q5-A9 WeakPolarHBondContact O-CB 3.49Å; Q5-A9 PolarHBondContact O-N 3.32Å
6	L	56.4	Low	54.9	Low	114 Å²	114	120.3 Å²	120.3	60%	0.597	65%	0.647	S	S	*	*	H	α-helix	trans	-72.7	-35.3	177.1	-119	117.5	0	0	0	112.3	L10	L6-L10 WeakPolarHBondContact O-CB 3.48Å; L6-L10 WeakPolarHBondContact O-CD1 3.46Å; L6-L10 WeakPolarHBondContact O-CG 3.46Å; L6-L10 PolarHBondContact O-N 3.15Å
7	T	57.6	Low	55.3	Low	77 Å²	77	123.3 Å²	123.3	47%	0.472	65%	0.647	S	S	.	*	H	α-helix	trans	-74.5	-38.1	176.9	33	0	0	0	0	112.1	G3 M4 L10 L11	G3-T7 PolarHBondContact O-OG1 3.26Å; M4-T7 WeakPolarHBondContact CA-OG1 3.5Å; M4-T7 PolarHBondContact O-OG1 3.1Å; M4-T7 VanDerWaalsContact O-OG1 3.12Å; T7-L10 PolarHBondContact O-N 2.97Å; T7-L11 WeakPolarHBondContact O-CB 3.47Å; T7-L11 WeakPolarHBondContact O-CD1 3.39Å; T7-L11 PolarHBondContact O-N 3.23Å
8	E	57.9	Low	55.6	Low	118 Å²	118	121.4 Å²	121.4	55%	0.551	64%	0.643	S	S	*	*	H	α-helix	trans	-68.1	-35.4	170.6	-81.5	-173.3	145.8	0	0	113.3	M4 L11 K12	M4-E8 PolarHBondContact O-N 2.95Å; M4-E8 VanDerWaalsContact O-N 3.09Å; E8-L11 PolarHBondContact O-N 3.24Å; E8-K12 WeakPolarHBondContact O-CB 3.15Å; E8-K12 PolarHBondContact O-N 3.33Å
9	A	59.2	Low	56.5	Low	53 Å²	53	121.3 Å²	121.3	44%	0.438	64%	0.638	S	S	.	*	H	α-helix	trans	-67	-39	174.9	0	0	0	0	0	111.8	Q5 Y13	Q5-A9 WeakPolarHBondContact O-CB 3.49Å; Q5-A9 PolarHBondContact O-N 3.32Å; A9-Y13 WeakPolarHBondContact O-CB 3.27Å; A9-Y13 PolarHBondContact O-N 3.32Å
10	L	54.5	Low	57.7	Low	106 Å²	106	120.2 Å²	120.2	56%	0.555	63%	0.631	S	S	*	*	H	α-helix	trans	-69.8	-37.7	174.2	-79.4	161.5	0	0	0	112.3	L6 T7 Y13 Q14	L6-L10 WeakPolarHBondContact O-CB 3.48Å; L6-L10 WeakPolarHBondContact O-CD1 3.46Å; L6-L10 WeakPolarHBondContact O-CG 3.46Å; L6-L10 PolarHBondContact O-N 3.15Å; T7-L10 PolarHBondContact O-N 2.97Å; L10-Y13 PolarHBondContact O-N 3.15Å; L10-Q14 WeakPolarHBondContact O-CB 3.26Å; L10-Q14 WeakPolarHBondContact O-CG 3.49Å; L10-Q14 PolarHBondContact O-N 3.3Å
11	L	55	Low	59	Low	110 Å²	110	119.3 Å²	119.3	58%	0.576	62%	0.623	S	S	*	*	H	α-helix	trans	-67.8	-35.5	173.5	-107.1	109.1	0	0	0	112.8	T7 E8 Q14	T7-L11 WeakPolarHBondContact O-CB 3.47Å; T7-L11 WeakPolarHBondContact O-CD1 3.39Å; T7-L11 PolarHBondContact O-N 3.23Å; E8-L11 PolarHBondContact O-N 3.24Å; L11-Q14 PolarHBondContact O-N 3.28Å
12	K	52.6	Low	60.6	Low	171 Å²	171	118.9 Å²	118.9	74%	0.743	61%	0.606	S	S	*	*	H	α-helix	trans	-71.4	-31.6	173	-81.7	-179.1	177	174.4	0	112.7	E8	E8-K12 WeakPolarHBondContact O-CB 3.15Å; E8-K12 PolarHBondContact O-N 3.33Å
13	Y	51.8	Low	62.2	Low	211 Å²	211	119.3 Å²	119.3	83%	0.827	60%	0.598	S	S	*	*	H	α-helix	trans	-75.7	-23.1	171.4	-108	-89.1	0	0	0	113.3	A9 L10 L15	A9-Y13 WeakPolarHBondContact O-CB 3.27Å; A9-Y13 PolarHBondContact O-N 3.32Å; L10-Y13 PolarHBondContact O-N 3.15Å; Y13-L15 PolarHBondContact O-N 3.16Å
14	Q	50	Low	64	Low	153 Å²	153	120.9 Å²	120.9	72%	0.715	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-1.6	178.5	-90.4	-179.1	-30.1	0	0	114.8	L10 L11	L10-Q14 WeakPolarHBondContact O-CB 3.26Å; L10-Q14 WeakPolarHBondContact O-CG 3.49Å; L10-Q14 PolarHBondContact O-N 3.3Å; L11-Q14 PolarHBondContact O-N 3.28Å
15	L	53.8	Low	65.7	Low	145 Å²	145	117.8 Å²	117.8	76%	0.759	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.3	25.8	-167.4	-102.5	151	0	0	0	116.5	Y13	Y13-L15 PolarHBondContact O-N 3.16Å
16	A	53.8	Low	67.5	Low	74 Å²	74	114.3 Å²	114.3	61%	0.612	58%	0.578	S	S	*	*			trans	-136.2	75.8	173.8	0	0	0	0	0	112.8
17	W	61.9	Low	69.2	Low	172 Å²	172	113.6 Å²	113.6	65%	0.652	57%	0.574	S	S	*	*				-146.4	77.7	127	-94.3	20.1	0	0	0	106.1	H19 M20 F23	W17-H19 PolarHBondContact O-N 3.41Å; W17-M20 HydrophobicContact CB-CB 3.82Å; W17-M20 HydrophobicContact CE3-CB 3.84Å; W17-M20 HydrophobicContact CE3-CG 3.71Å; W17-M20 HydrophobicContact CE3-SD 4.22Å; W17-M20 HydrophobicContact CZ3-CG 4.34Å; W17-M20 PolarHBondContact O-N 2.92Å; W17-F23 HydrophobicContact CZ3-CD1 4.3Å
18	P	61.4	Low	70.9	Confident	90 Å²	90	113.9 Å²	113.9	58%	0.584	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	-2.2	-178.9	22.7	-32.4	0	0	0	113.9	H21	P18-H21 PolarHBondContact O-CE1 2.91Å
19	H	72.3	Confident	72.6	Confident	118 Å²	118	113.8 Å²	113.8	55%	0.546	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-125.9	13.7	176.8	-54.2	-60.6	0	0	0	114.6	W17 H21 Y22 F23	W17-H19 PolarHBondContact O-N 3.41Å; H19-H21 PolarHBondContact O-N 3.36Å; H19-Y22 HydrophobicContact CB-CD2 3.82Å; H19-Y22 AromaticContact ND1-CD2 3.44Å; H19-Y22 WeakPolarHBondContact ND1-CD2 3.42Å; H19-Y22 AromaticContact ND1-CE2 3.54Å; H19-Y22 WeakPolarHBondContact O-CB 3.12Å; H19-Y22 PolarHBondContact O-N 3.05Å; H19-F23 PolarHBondContact O-N 3.45Å
20	M	80.7	Confident	74.4	Confident	100 Å²	100	116.2 Å²	116.2	49%	0.493	59%	0.59	S	S	.	*	H	α-helix	trans	-56.6	-36.2	178.7	-168.5	166.4	81.1	0	0	112.2	W17 F23 L24	W17-M20 HydrophobicContact CB-CB 3.82Å; W17-M20 HydrophobicContact CE3-CB 3.84Å; W17-M20 HydrophobicContact CE3-CG 3.71Å; W17-M20 HydrophobicContact CE3-SD 4.22Å; W17-M20 HydrophobicContact CZ3-CG 4.34Å; W17-M20 PolarHBondContact O-N 2.92Å; M20-F23 PolarHBondContact O-N 3.4Å; M20-L24 HydrophobicContact CE-CD1 4.45Å; M20-L24 HydrophobicContact CG-CD1 4.02Å; M20-L24 HydrophobicContact CG-CG 4.4Å; M20-L24 WeakPolarHBondContact O-CB 3.49Å; M20-L24 VanDerWaalsContact O-CG 3.28Å; M20-L24 WeakPolarHBondContact O-CG 3.36Å; M20-L24 PolarHBondContact O-N 2.89Å
21	H	85.2	Confident	76.2	Confident	102 Å²	102	113.4 Å²	113.4	47%	0.472	58%	0.582	S	S	.	*	H	α-helix	trans	-67.5	-33.6	175.7	55	-89.8	0	0	0	112.6	P18 H19 S25	P18-H21 PolarHBondContact O-CE1 2.91Å; H19-H21 PolarHBondContact O-N 3.36Å; H21-S25 WeakPolarHBondContact O-CB 3.34Å; H21-S25 PolarHBondContact O-N 2.82Å; H21-S25 PolarHBondContact O-OG 2.84Å
22	Y	89	Confident	77.9	Confident	150 Å²	150	110.9 Å²	110.9	59%	0.588	58%	0.577	S	S	*	*	H	α-helix	trans	-68.7	-41.7	172.3	-66.9	-68.5	0	0	0	111.5	H19 S25 A26	H19-Y22 HydrophobicContact CB-CD2 3.82Å; H19-Y22 AromaticContact ND1-CD2 3.44Å; H19-Y22 WeakPolarHBondContact ND1-CD2 3.42Å; H19-Y22 AromaticContact ND1-CE2 3.54Å; H19-Y22 WeakPolarHBondContact O-CB 3.12Å; H19-Y22 PolarHBondContact O-N 3.05Å; Y22-S25 PolarHBondContact O-N 3.11Å; Y22-A26 VanDerWaalsContact O-CB 3.3Å; Y22-A26 WeakPolarHBondContact O-CB 3.32Å; Y22-A26 PolarHBondContact O-N 2.79Å
23	F	88.9	Confident	79.9	Confident	121 Å²	121	106.5 Å²	106.5	53%	0.531	57%	0.565	S	S	.	*	H	α-helix	trans	-62.9	-47	175.2	-178.7	-96.8	0	0	0	111.8	W17 H19 M20 S25 A26 L27	W17-F23 HydrophobicContact CZ3-CD1 4.3Å; H19-F23 PolarHBondContact O-N 3.45Å; M20-F23 PolarHBondContact O-N 3.4Å; F23-S25 PolarHBondContact O-N 3.45Å; F23-A26 PolarHBondContact O-N 2.92Å; F23-L27 HydrophobicContact CE1-CD1 4.34Å; F23-L27 HydrophobicContact CZ-CD1 4.49Å; F23-L27 WeakPolarHBondContact O-CB 3.45Å; F23-L27 PolarHBondContact O-N 2.84Å
24	L	90.6	Very high	81.9	Confident	89 Å²	89	103.8 Å²	103.8	47%	0.466	55%	0.554	S	S	.	*	H	α-helix	trans	-61.4	-43.3	174.9	-73.3	167.5	0	0	0	111.6	M20 L27 C28	M20-L24 HydrophobicContact CE-CD1 4.45Å; M20-L24 HydrophobicContact CG-CD1 4.02Å; M20-L24 HydrophobicContact CG-CG 4.4Å; M20-L24 WeakPolarHBondContact O-CB 3.49Å; M20-L24 VanDerWaalsContact O-CG 3.28Å; M20-L24 WeakPolarHBondContact O-CG 3.36Å; M20-L24 PolarHBondContact O-N 2.89Å; L24-L27 PolarHBondContact O-N 3.08Å; L24-C28 WeakPolarHBondContact O-CB 3.39Å; L24-C28 PolarHBondContact O-N 3.18Å; L24-C28 PolarHBondContact O-SG 3.04Å
25	S	91.3	Very high	83.8	Confident	74 Å²	74	102.7 Å²	102.7	52%	0.517	55%	0.547	S	S	.	.	H	α-helix	trans	-63.8	-42.2	177.1	-60.9	0	0	0	0	111.9	H21 Y22 F23 C28 L29	H21-S25 WeakPolarHBondContact O-CB 3.34Å; H21-S25 PolarHBondContact O-N 2.82Å; H21-S25 PolarHBondContact O-OG 2.84Å; Y22-S25 PolarHBondContact O-N 3.11Å; F23-S25 PolarHBondContact O-N 3.45Å; S25-C28 PolarHBondContact O-N 2.88Å; S25-L29 WeakPolarHBondContact O-CB 3.43Å; S25-L29 PolarHBondContact O-N 3.37Å
26	A	93.1	Very high	85.6	Confident	53 Å²	53	100.5 Å²	100.5	44%	0.438	54%	0.535	S	S	.	.	H	α-helix	trans	-63.6	-42.6	175.2	0	0	0	0	0	111.4	Y22 F23 L29 V30	Y22-A26 VanDerWaalsContact O-CB 3.3Å; Y22-A26 WeakPolarHBondContact O-CB 3.32Å; Y22-A26 PolarHBondContact O-N 2.79Å; F23-A26 PolarHBondContact O-N 2.92Å; A26-L29 PolarHBondContact O-N 3.2Å; A26-V30 WeakPolarHBondContact O-CG2 3.48Å; A26-V30 PolarHBondContact O-N 3.11Å
27	L	93.4	Very high	87.5	Confident	99 Å²	99	100.2 Å²	100.2	52%	0.518	53%	0.526	S	S	.	.	H	α-helix	trans	-63.8	-41.7	176	-171.2	131.5	0	0	0	111.7	F23 L24 V30 A31	F23-L27 HydrophobicContact CE1-CD1 4.34Å; F23-L27 HydrophobicContact CZ-CD1 4.49Å; F23-L27 WeakPolarHBondContact O-CB 3.45Å; F23-L27 PolarHBondContact O-N 2.84Å; L24-L27 PolarHBondContact O-N 3.08Å; L27-V30 PolarHBondContact O-N 3.23Å; L27-A31 WeakPolarHBondContact O-CB 3.4Å; L27-A31 PolarHBondContact O-N 2.77Å
28	C	92.9	Very high	89	Confident	83 Å²	83	97.3 Å²	97.3	56%	0.561	52%	0.518	S	S	*	.	H	α-helix	trans	-61.9	-42.1	172.4	-72.8	0	0	0	0	112.1	L24 S25 A31 A32	L24-C28 WeakPolarHBondContact O-CB 3.39Å; L24-C28 PolarHBondContact O-N 3.18Å; L24-C28 PolarHBondContact O-SG 3.04Å; S25-C28 PolarHBondContact O-N 2.88Å; C28-A31 PolarHBondContact O-N 2.79Å; C28-A32 VanDerWaalsContact O-CB 3.32Å; C28-A32 WeakPolarHBondContact O-CB 3.46Å; C28-A32 PolarHBondContact O-N 2.63Å
29	L	94.3	Very high	90.5	Very high	115 Å²	115	95.4 Å²	95.4	60%	0.602	50%	0.503	S	S	*	.	H	α-helix	trans	-64.6	-46.9	177.4	-178.7	63.9	0	0	0	111.4	S25 A26 A31 A32 V33	S25-L29 WeakPolarHBondContact O-CB 3.43Å; S25-L29 PolarHBondContact O-N 3.37Å; A26-L29 PolarHBondContact O-N 3.2Å; L29-A31 VanDerWaalsContact C-N 3.32Å; L29-A31 PolarHBondContact O-N 3.33Å; L29-A32 PolarHBondContact O-N 2.92Å; L29-V33 HydrophobicContact CD1-CG2 4.28Å; L29-V33 HydrophobicContact CG-CG2 4.49Å; L29-V33 WeakPolarHBondContact O-CG2 3.14Å; L29-V33 PolarHBondContact O-N 2.96Å
30	V	95.2	Very high	91.5	Very high	104 Å²	104	94.2 Å²	94.2	63%	0.63	50%	0.5	S	S	*	.	H	α-helix	trans	-59.1	-45.3	175.7	170.3	0	0	0	0	110.5	A26 L27 A32 V33 Y34	A26-V30 WeakPolarHBondContact O-CG2 3.48Å; A26-V30 PolarHBondContact O-N 3.11Å; L27-V30 PolarHBondContact O-N 3.23Å; V30-A32 VanDerWaalsContact C-N 3.35Å; V30-A32 PolarHBondContact O-N 3.3Å; V30-V33 PolarHBondContact O-N 3.09Å; V30-Y34 VanDerWaalsContact O-CB 3.25Å; V30-Y34 WeakPolarHBondContact O-CB 3.2Å; V30-Y34 PolarHBondContact O-N 3.47Å
31	A	92.6	Very high	92.1	Very high	48 Å²	48	94.7 Å²	94.7	40%	0.397	50%	0.504	S	S	.	.	H	α-helix	trans	-62	-41.1	176.2	0	0	0	0	0	112.2	L27 C28 L29 K35	L27-A31 WeakPolarHBondContact O-CB 3.4Å; L27-A31 PolarHBondContact O-N 2.77Å; C28-A31 PolarHBondContact O-N 2.79Å; L29-A31 VanDerWaalsContact C-N 3.32Å; L29-A31 PolarHBondContact O-N 3.33Å; A31-K35 WeakPolarHBondContact O-CB 3.38Å; A31-K35 VanDerWaalsContact O-CG 3.3Å; A31-K35 WeakPolarHBondContact O-CG 3.33Å; A31-K35 PolarHBondContact O-N 3.37Å
32	A	91.2	Very high	92.5	Very high	56 Å²	56	93.7 Å²	93.7	46%	0.463	50%	0.498	S	S	.	.	H	α-helix	trans	-65.4	-46.5	177.5	0	0	0	0	0	112	C28 L29 V30 K35 L36	C28-A32 VanDerWaalsContact O-CB 3.32Å; C28-A32 WeakPolarHBondContact O-CB 3.46Å; C28-A32 PolarHBondContact O-N 2.63Å; L29-A32 PolarHBondContact O-N 2.92Å; V30-A32 VanDerWaalsContact C-N 3.35Å; V30-A32 PolarHBondContact O-N 3.3Å; A32-K35 PolarHBondContact O-N 2.91Å; A32-L36 VanDerWaalsContact O-CB 3.31Å; A32-L36 WeakPolarHBondContact O-CB 3.2Å; A32-L36 PolarHBondContact O-N 2.83Å
33	V	94.4	Very high	92.8	Very high	80 Å²	80	87.7 Å²	87.7	49%	0.485	47%	0.474	S	S	.	.	H	α-helix	trans	-63.5	-43.9	176.8	172.3	0	0	0	0	110.9	L29 V30 L36 T37	L29-V33 HydrophobicContact CD1-CG2 4.28Å; L29-V33 HydrophobicContact CG-CG2 4.49Å; L29-V33 WeakPolarHBondContact O-CG2 3.14Å; L29-V33 PolarHBondContact O-N 2.96Å; V30-V33 PolarHBondContact O-N 3.09Å; V33-L36 PolarHBondContact O-N 2.94Å; V33-T37 WeakPolarHBondContact O-CB 3.5Å; V33-T37 PolarHBondContact O-N 3.31Å; V33-T37 PolarHBondContact O-OG1 2.88Å
34	Y	94.6	Very high	93	Very high	154 Å²	154	89.5 Å²	89.5	60%	0.604	48%	0.482	S	S	*	.	H	α-helix	trans	-59.3	-48.7	175.3	173.5	-98.8	0	0	0	111.4	V30 T37 F38	V30-Y34 VanDerWaalsContact O-CB 3.25Å; V30-Y34 WeakPolarHBondContact O-CB 3.2Å; V30-Y34 PolarHBondContact O-N 3.47Å; Y34-T37 PolarHBondContact O-N 3.18Å; Y34-F38 WeakPolarHBondContact O-CB 3.39Å; Y34-F38 PolarHBondContact O-N 3.45Å
35	K	90.3	Very high	93.2	Very high	129 Å²	129	87.9 Å²	87.9	56%	0.561	48%	0.482	S	S	*	.	H	α-helix	trans	-63.1	-43.1	177.8	-76.8	-67.7	-174.4	-176.3	0	112.3	A31 A32 F38 I39	A31-K35 WeakPolarHBondContact O-CB 3.38Å; A31-K35 VanDerWaalsContact O-CG 3.3Å; A31-K35 WeakPolarHBondContact O-CG 3.33Å; A31-K35 PolarHBondContact O-N 3.37Å; A32-K35 PolarHBondContact O-N 2.91Å; K35-F38 PolarHBondContact O-N 3.44Å; K35-I39 VanDerWaalsContact O-CG1 3.26Å; K35-I39 WeakPolarHBondContact O-CG1 3.42Å; K35-I39 PolarHBondContact O-N 3.15Å
36	L	91.3	Very high	93.4	Very high	99 Å²	99	85.7 Å²	85.7	52%	0.518	46%	0.464	S	S	.	.	H	α-helix	trans	-61.5	-46.8	176.7	179.5	60.7	0	0	0	111.1	A32 V33 F38 I39 L40	A32-L36 VanDerWaalsContact O-CB 3.31Å; A32-L36 WeakPolarHBondContact O-CB 3.2Å; A32-L36 PolarHBondContact O-N 2.83Å; V33-L36 PolarHBondContact O-N 2.94Å; L36-F38 VanDerWaalsContact C-N 3.34Å; L36-F38 PolarHBondContact O-N 3.34Å; L36-I39 PolarHBondContact O-N 3.47Å; L36-L40 HydrophobicContact CD1-CD1 4.32Å; L36-L40 HydrophobicContact CD1-CG 4.3Å; L36-L40 HydrophobicContact CG-CD1 4.14Å; L36-L40 WeakPolarHBondContact O-CG 3.37Å; L36-L40 PolarHBondContact O-N 2.94Å
37	T	93.5	Very high	93.5	Very high	68 Å²	68	87.4 Å²	87.4	42%	0.417	47%	0.465	S	S	.	.	H	α-helix	trans	-59	-46.6	177.2	-56.1	0	0	0	0	110.9	V33 Y34 I39 L40 L41	V33-T37 WeakPolarHBondContact O-CB 3.5Å; V33-T37 PolarHBondContact O-N 3.31Å; V33-T37 PolarHBondContact O-OG1 2.88Å; Y34-T37 PolarHBondContact O-N 3.18Å; T37-I39 PolarHBondContact O-N 3.36Å; T37-L40 PolarHBondContact O-N 2.96Å; T37-L41 HydrophobicContact CG2-CD1 4.14Å; T37-L41 HydrophobicContact CG2-CG 4.44Å; T37-L41 WeakPolarHBondContact O-CG 3.15Å; T37-L41 PolarHBondContact O-N 3.07Å
38	F	93.6	Very high	93.6	Very high	111 Å²	111	90.4 Å²	90.4	49%	0.487	47%	0.474	S	S	.	.	H	α-helix	trans	-59.4	-44.1	175.9	-179.1	-94.8	0	0	0	112.4	Y34 K35 L36 L40 L41 K42	Y34-F38 WeakPolarHBondContact O-CB 3.39Å; Y34-F38 PolarHBondContact O-N 3.45Å; K35-F38 PolarHBondContact O-N 3.44Å; L36-F38 VanDerWaalsContact C-N 3.34Å; L36-F38 PolarHBondContact O-N 3.34Å; F38-L40 PolarHBondContact O-N 3.28Å; F38-L41 PolarHBondContact O-N 3.47Å; F38-K42 HydrophobicContact CE1-CD 4.36Å; F38-K42 WeakPolarHBondContact O-CB 3.24Å; F38-K42 PolarHBondContact O-N 2.98Å
39	I	92	Very high	93.7	Very high	51 Å²	51	88.2 Å²	88.2	26%	0.262	46%	0.46	S	S	.	.	H	α-helix	trans	-61.7	-44	177	-72.2	166.5	0	0	0	111.1	K35 L36 T37 K42 R43 P95	K35-I39 VanDerWaalsContact O-CG1 3.26Å; K35-I39 WeakPolarHBondContact O-CG1 3.42Å; K35-I39 PolarHBondContact O-N 3.15Å; L36-I39 PolarHBondContact O-N 3.47Å; T37-I39 PolarHBondContact O-N 3.36Å; I39-K42 PolarHBondContact O-N 2.86Å; I39-R43 WeakPolarHBondContact O-CB 3.46Å; I39-R43 PolarHBondContact O-N 3.48Å; I39-P95 HydrophobicContact CG2-CB 3.66Å; I39-P95 HydrophobicContact CG2-CG 3.79Å
40	L	92.9	Very high	93.8	Very high	92 Å²	92	83.1 Å²	83.1	48%	0.482	43%	0.433	S	S	.	.	H	α-helix	trans	-65.8	-43	179	-68.5	173.5	0	0	0	111.9	L36 T37 F38 R43 K44	L36-L40 HydrophobicContact CD1-CD1 4.32Å; L36-L40 HydrophobicContact CD1-CG 4.3Å; L36-L40 HydrophobicContact CG-CD1 4.14Å; L36-L40 WeakPolarHBondContact O-CG 3.37Å; L36-L40 PolarHBondContact O-N 2.94Å; T37-L40 PolarHBondContact O-N 2.96Å; F38-L40 PolarHBondContact O-N 3.28Å; L40-R43 PolarHBondContact O-N 2.76Å; L40-K44 WeakPolarHBondContact O-CB 3.43Å; L40-K44 PolarHBondContact O-N 3.15Å
41	L	94.3	Very high	93.8	Very high	110 Å²	110	85.4 Å²	85.4	58%	0.576	44%	0.436	S	S	*	.	H	α-helix	trans	-62.5	-44.8	175.1	-70.1	175.7	0	0	0	111.4	T37 F38 K44 A45	T37-L41 HydrophobicContact CG2-CD1 4.14Å; T37-L41 HydrophobicContact CG2-CG 4.44Å; T37-L41 WeakPolarHBondContact O-CG 3.15Å; T37-L41 PolarHBondContact O-N 3.07Å; F38-L41 PolarHBondContact O-N 3.47Å; L41-K44 PolarHBondContact O-N 3.04Å; L41-A45 PolarHBondContact O-N 2.92Å
42	K	93.6	Very high	94	Very high	82 Å²	82	85.5 Å²	85.5	36%	0.357	44%	0.438	S	S	.	.	H	α-helix	trans	-61.7	-44.2	175.6	-176.8	170.7	176.4	-175.3	0	111.4	F38 I39 K44 A45 L46 S96	F38-K42 HydrophobicContact CE1-CD 4.36Å; F38-K42 WeakPolarHBondContact O-CB 3.24Å; F38-K42 PolarHBondContact O-N 2.98Å; I39-K42 PolarHBondContact O-N 2.86Å; K42-K44 PolarHBondContact O-N 3.47Å; K42-A45 PolarHBondContact O-N 3.19Å; K42-L46 HydrophobicContact CG-CD1 4.06Å; K42-L46 HydrophobicContact CG-CG 4.45Å; K42-L46 WeakPolarHBondContact O-CB 3.41Å; K42-L46 VanDerWaalsContact O-CG 3.3Å; K42-L46 WeakPolarHBondContact O-CG 3.42Å; K42-L46 PolarHBondContact O-N 3.4Å; K42-S96 VanDerWaalsContact CE-O 3.29Å; K42-S96 WeakPolarHBondContact CE-O 3.31Å
43	R	94.3	Very high	94.3	Very high	24 Å²	24	83.1 Å²	83.1	9%	0.091	42%	0.417	C	S	.	.	H	α-helix	trans	-60.6	-45.2	176.2	-173.4	177.9	-178	91.8	-6.1	111.4	I39 L40 A45 L46 L47 H59 V60 W92 P95	I39-R43 WeakPolarHBondContact O-CB 3.46Å; I39-R43 PolarHBondContact O-N 3.48Å; L40-R43 PolarHBondContact O-N 2.76Å; R43-A45 VanDerWaalsContact C-N 3.35Å; R43-A45 PolarHBondContact O-N 3.12Å; R43-L46 PolarHBondContact O-N 3.35Å; R43-L47 HydrophobicContact CG-CD1 4.09Å; R43-L47 HydrophobicContact CG-CG 4.45Å; R43-L47 WeakPolarHBondContact O-CB 3.48Å; R43-L47 WeakPolarHBondContact O-CG 3.41Å; R43-L47 PolarHBondContact O-N 3.4Å; R43-H59 PolarHBondContact NH2-O 3.44Å; R43-V60 PolarHBondContact NH1-O 3.25Å; R43-W92 HydrophobicContact CG-CH2 4.32Å; R43-W92 HydrophobicContact CG-CZ3 4.07Å; R43-P95 WeakPolarHBondContact CB-O 3.44Å; R43-P95 WeakPolarHBondContact CD-O 3.39Å; R43-P95 VanDerWaalsContact CG-O 3.31Å; R43-P95 WeakPolarHBondContact CG-O 3.3Å; R43-P95 PolarHBondContact NH1-O 3.16Å
44	K	94.4	Very high	94.4	Very high	158 Å²	158	83.2 Å²	83.2	69%	0.687	42%	0.419	S	S	*	.	H	α-helix	trans	-60.1	-44	177	-173.4	179.5	-179.7	179.4	0	111.7	L40 L41 K42 L47 K48	L40-K44 WeakPolarHBondContact O-CB 3.43Å; L40-K44 PolarHBondContact O-N 3.15Å; L41-K44 PolarHBondContact O-N 3.04Å; K42-K44 PolarHBondContact O-N 3.47Å; K44-L47 PolarHBondContact O-N 3.4Å; K44-K48 PolarHBondContact O-N 3.43Å
45	A	95.1	Very high	94.5	Very high	56 Å²	56	77 Å²	77	46%	0.463	40%	0.402	S	S	.	.	H	α-helix	trans	-62.7	-45.6	176.1	0	0	0	0	0	111.9	L41 K42 R43 K48 S49	L41-A45 PolarHBondContact O-N 2.92Å; K42-A45 PolarHBondContact O-N 3.19Å; R43-A45 VanDerWaalsContact C-N 3.35Å; R43-A45 PolarHBondContact O-N 3.12Å; A45-K48 WeakPolarHBondContact O-CB 3.26Å; A45-K48 PolarHBondContact O-N 2.93Å; A45-S49 PolarHBondContact O-N 3.32Å; A45-S49 PolarHBondContact O-OG 2.97Å
46	L	95.2	Very high	94.7	Very high	28 Å²	28	71.3 Å²	71.3	15%	0.147	38%	0.378	C	S	.	.	H	α-helix	trans	-62.3	-45.1	177	-71	169.3	0	0	0	111.9	K42 R43 K48 S49 F50 W92 S96	K42-L46 HydrophobicContact CG-CD1 4.06Å; K42-L46 HydrophobicContact CG-CG 4.45Å; K42-L46 WeakPolarHBondContact O-CB 3.41Å; K42-L46 VanDerWaalsContact O-CG 3.3Å; K42-L46 WeakPolarHBondContact O-CG 3.42Å; K42-L46 PolarHBondContact O-N 3.4Å; R43-L46 PolarHBondContact O-N 3.35Å; L46-K48 PolarHBondContact O-N 3.17Å; L46-S49 WeakPolarHBondContact O-CB 3.21Å; L46-S49 PolarHBondContact O-N 3.46Å; L46-F50 HydrophobicContact CD2-CE2 4.05Å; L46-F50 WeakPolarHBondContact O-CD2 3.47Å; L46-F50 PolarHBondContact O-N 2.96Å; L46-W92 HydrophobicContact CB-CH2 3.66Å; L46-W92 HydrophobicContact CB-CZ3 4.17Å; L46-W92 HydrophobicContact CD1-CZ3 4.19Å; L46-S96 VanDerWaalsContact CD1-O 3.3Å; L46-S96 WeakPolarHBondContact CD1-O 3.35Å
47	L	94.9	Very high	94.9	Very high	88 Å²	88	72 Å²	72	46%	0.461	39%	0.389	S	S	.	.	H	α-helix	trans	-55.6	-41.3	176.9	-76.7	166.6	0	0	0	111.6	R43 K44 F50 E51 W92	R43-L47 HydrophobicContact CG-CD1 4.09Å; R43-L47 HydrophobicContact CG-CG 4.45Å; R43-L47 WeakPolarHBondContact O-CB 3.48Å; R43-L47 WeakPolarHBondContact O-CG 3.41Å; R43-L47 PolarHBondContact O-N 3.4Å; K44-L47 PolarHBondContact O-N 3.4Å; L47-F50 PolarHBondContact O-N 2.94Å; L47-E51 PolarHBondContact O-N 2.96Å; L47-E51 VanDerWaalsContact O-N 3.15Å; L47-W92 HydrophobicContact CD2-CH2 3.99Å; L47-W92 HydrophobicContact CD2-CZ2 3.54Å; L47-W92 HydrophobicContact CG-CH2 3.9Å; L47-W92 HydrophobicContact CG-CZ2 3.96Å
48	K	95.6	Very high	95	Very high	162 Å²	162	70.2 Å²	70.2	70%	0.704	38%	0.381	S	S	*	.	H	α-helix	trans	-65	-42.8	174.2	-172.1	177.6	-179.9	179.8	0	112.1	K44 A45 L46 F50 E51	K44-K48 PolarHBondContact O-N 3.43Å; A45-K48 WeakPolarHBondContact O-CB 3.26Å; A45-K48 PolarHBondContact O-N 2.93Å; L46-K48 PolarHBondContact O-N 3.17Å; K48-F50 PolarHBondContact O-N 3.21Å; K48-E51 WeakPolarHBondContact O-CB 3.4Å; K48-E51 PolarHBondContact O-N 3.39Å
49	S	95.1	Very high	95	Very high	37 Å²	37	69.5 Å²	69.5	26%	0.259	38%	0.379	S	S	.	.	H	α-helix	trans	-62.3	-30.5	178.1	-60.3	0	0	0	0	113.6	A45 L46	A45-S49 PolarHBondContact O-N 3.32Å; A45-S49 PolarHBondContact O-OG 2.97Å; L46-S49 WeakPolarHBondContact O-CB 3.21Å; L46-S49 PolarHBondContact O-N 3.46Å
50	F	95.8	Very high	94.9	Very high	8 Å²	8	71.8 Å²	71.8	4%	0.035	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	9.3	-179.7	-64.7	-75	0	0	0	113.6	L46 L47 K48 A52 F53 P90 C98 L100 L409	L46-F50 HydrophobicContact CD2-CE2 4.05Å; L46-F50 WeakPolarHBondContact O-CD2 3.47Å; L46-F50 PolarHBondContact O-N 2.96Å; L47-F50 PolarHBondContact O-N 2.94Å; K48-F50 PolarHBondContact O-N 3.21Å; F50-A52 PolarHBondContact O-N 3.35Å; F50-F53 HydrophobicContact CD1-CD2 4.42Å; F50-F53 PolarHBondContact O-N 3.35Å; F50-P90 HydrophobicContact CB-CB 4.45Å; F50-C98 HydrophobicContact CD2-CB 4.02Å; F50-C98 VanDerWaalsContact CD2-SG 3.52Å; F50-C98 HydrophobicContact CE2-CB 3.66Å; F50-C98 VanDerWaalsContact CE2-SG 3.58Å; F50-C98 HydrophobicContact CZ-CB 4.31Å; F50-L100 HydrophobicContact CD1-CB 4.26Å; F50-L100 HydrophobicContact CD1-CD1 4.43Å; F50-L100 HydrophobicContact CE1-CB 3.77Å; F50-L409 HydrophobicContact CD1-CD2 3.57Å; F50-L409 HydrophobicContact CE1-CD1 4.11Å; F50-L409 HydrophobicContact CE1-CD2 3.45Å; F50-L409 VanDerWaalsContact CE1-CD2 3.45Å; F50-L409 HydrophobicContact CE1-CG 4.45Å; F50-L409 HydrophobicContact CG-CD2 4.46Å; F50-L409 HydrophobicContact CZ-CD2 4.28Å
51	E	95.4	Very high	94.8	Very high	152 Å²	152	71 Å²	71	71%	0.71	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-34.8	-175.8	-175.7	173	-166.3	0	0	113	L47 K48 F53	L47-E51 PolarHBondContact O-N 2.96Å; L47-E51 VanDerWaalsContact O-N 3.15Å; K48-E51 WeakPolarHBondContact O-CB 3.4Å; K48-E51 PolarHBondContact O-N 3.39Å; E51-F53 PolarHBondContact O-N 2.99Å
52	A	96.5	Very high	94.7	Very high	51 Å²	51	69.6 Å²	69.6	42%	0.421	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-6.6	176.8	0	0	0	0	0	114.1	F50 P54 R407	F50-A52 PolarHBondContact O-N 3.35Å; A52-P54 WeakPolarHBondContact O-CD 3.25Å; A52-R407 HydrophobicContact CB-CB 4.44Å; A52-R407 HydrophobicContact CB-CG 4.18Å; A52-R407 WeakPolarHBondContact O-CD 3.49Å
53	F	97.7	Very high	94.8	Very high	5 Å²	5	65.8 Å²	65.8	2%	0.022	36%	0.364	C	S	.	.	S	Bend	trans	-117.3	95.9	-177.1	-58.7	-84.6	0	0	0	110.3	F50 E51 A88 P90 L100 Y107 F403 R407 T408 L409	F50-F53 HydrophobicContact CD1-CD2 4.42Å; F50-F53 PolarHBondContact O-N 3.35Å; E51-F53 PolarHBondContact O-N 2.99Å; F53-A88 HydrophobicContact CD1-CB 4.22Å; F53-P90 VanDerWaalsContact O-CD 3.3Å; F53-P90 WeakPolarHBondContact O-CD 3.49Å; F53-L100 HydrophobicContact CB-CD1 3.79Å; F53-L100 HydrophobicContact CD1-CD1 3.62Å; F53-L100 HydrophobicContact CD1-CD2 3.94Å; F53-L100 HydrophobicContact CD1-CG 4.46Å; F53-L100 HydrophobicContact CD2-CD1 4.18Å; F53-L100 HydrophobicContact CD2-CD2 4.47Å; F53-L100 HydrophobicContact CE1-CD1 4.24Å; F53-L100 HydrophobicContact CE1-CD2 3.68Å; F53-L100 HydrophobicContact CE2-CD2 4.23Å; F53-L100 HydrophobicContact CG-CD1 3.58Å; F53-L100 HydrophobicContact CG-CD2 4.33Å; F53-L100 HydrophobicContact CZ-CD2 3.83Å; F53-Y107 HydrophobicContact CE1-CE1 4.05Å; F53-F403 HydrophobicContact CE1-CD2 4.14Å; F53-F403 HydrophobicContact CE1-CE2 4.13Å; F53-F403 AromaticContact CZ-CD2 3.89Å; F53-F403 HydrophobicContact CZ-CD2 3.89Å; F53-F403 AromaticContact CZ-CE2 3.8Å; F53-F403 HydrophobicContact CZ-CE2 3.8Å; F53-R407 HydrophobicContact CE1-CB 3.8Å; F53-R407 HydrophobicContact CE1-CG 4.46Å; F53-R407 HydrophobicContact CE2-CB 4.36Å; F53-R407 HydrophobicContact CZ-CB 3.6Å; F53-T408 WeakPolarHBondContact CE2-O 3.2Å; F53-L409 HydrophobicContact CD2-CD2 4.16Å; F53-L409 HydrophobicContact CE2-CD2 3.63Å; F53-L409 HydrophobicContact CE2-CG 3.76Å; F53-L409 HydrophobicContact CZ-CD2 4.47Å; F53-L409 HydrophobicContact CZ-CG 4.13Å
54	P	96.6	Very high	94.9	Very high	82 Å²	82	64.8 Å²	64.8	53%	0.532	36%	0.36	S	S	.	.			trans	-56	146	171.3	-22.9	33.6	0	0	0	111	A52 Y85 P90	A52-P54 WeakPolarHBondContact O-CD 3.25Å; P54-Y85 HydrophobicContact CB-CD1 3.94Å; P54-Y85 HydrophobicContact CB-CE1 4.16Å; P54-Y85 WeakPolarHBondContact O-CD1 3.47Å; P54-P90 WeakPolarHBondContact O-CD 3.5Å
55	G	96.6	Very high	94.9	Very high	25 Å²	25	58 Å²	58	26%	0.258	33%	0.332	S	S	.	.			trans	-161.8	172.4	-178.3	0	0	0	0	0	113.4	Y85	G55-Y85 PolarHBondContact O-OH 3.05Å
56	P	95.6	Very high	94.8	Very high	9 Å²	9	60.1 Å²	60.1	6%	0.058	34%	0.335	C	S	.	.			trans	-62.3	146	180	28.3	-35.8	0	0	0	111.2	A58 N64 W81 Y85	P56-A58 PolarHBondContact O-N 2.88Å; P56-N64 PolarHBondContact O-ND2 2.72Å; P56-W81 HydrophobicContact CB-CD2 4.04Å; P56-W81 HydrophobicContact CB-CH2 4.28Å; P56-W81 HydrophobicContact CB-CZ2 3.74Å; P56-W81 HydrophobicContact CG-CD2 3.73Å; P56-W81 HydrophobicContact CG-CE3 3.78Å; P56-W81 HydrophobicContact CG-CG 4.35Å; P56-W81 HydrophobicContact CG-CH2 3.98Å; P56-W81 HydrophobicContact CG-CZ2 3.91Å; P56-W81 HydrophobicContact CG-CZ3 3.88Å; P56-Y85 HydrophobicContact CB-CE2 4.34Å
57	P	94.4	Very high	94.8	Very high	113 Å²	113	62.8 Å²	62.8	73%	0.734	35%	0.347	S	S	*	.			trans	-58	133.6	178.3	25.1	-33.8	0	0	0	110.5	N64	P57-N64 PolarHBondContact O-ND2 3.09Å
58	A	94.8	Very high	94.7	Very high	30 Å²	30	59.6 Å²	59.6	25%	0.248	33%	0.33	C	S	.	.			trans	-110.5	125	-176.5	0	0	0	0	0	110.6	P56 W92	P56-A58 PolarHBondContact O-N 2.88Å; A58-W92 HydrophobicContact CB-CB 3.99Å; A58-W92 VanDerWaalsContact CB-CD1 3.44Å; A58-W92 HydrophobicContact CB-CG 3.73Å
59	H	95	Very high	94.6	Very high	97 Å²	97	59.2 Å²	59.2	45%	0.449	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-57.2	140.4	172.4	-171.4	-91.1	0	0	0	110.1	R43 L61 F62 G63 L66	R43-H59 PolarHBondContact NH2-O 3.44Å; H59-L61 VanDerWaalsContact C-N 3.28Å; H59-L61 PolarHBondContact ND1-N 3.49Å; H59-L61 VanDerWaalsContact ND1-N 3.18Å; H59-L61 PolarHBondContact O-N 2.9Å; H59-F62 HydrophobicContact CB-CB 4.31Å; H59-F62 AromaticContact CE1-CD2 3.67Å; H59-F62 AromaticContact ND1-CD2 3.45Å; H59-F62 WeakPolarHBondContact ND1-CD2 3.43Å; H59-F62 PolarHBondContact ND1-N 3.37Å; H59-G63 WeakPolarHBondContact CB-O 3.49Å; H59-G63 PolarHBondContact N-O 2.94Å; H59-G63 VanDerWaalsContact O-CA 3.27Å; H59-G63 WeakPolarHBondContact O-CA 3.04Å; H59-G63 PolarHBondContact O-N 2.87Å; H59-L66 HydrophobicContact CB-CD1 4.42Å
60	V	89.8	Confident	94.4	Very high	99 Å²	99	58.8 Å²	58.8	60%	0.6	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-42.5	-174.6	178.9	0	0	0	0	111.8	R43	R43-V60 PolarHBondContact NH1-O 3.25Å
61	L	90	Very high	94.3	Very high	76 Å²	76	61.6 Å²	61.6	40%	0.398	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-36.1	-176.9	-171.5	61.3	0	0	0	114.2	H59 G94 P95 F239	H59-L61 VanDerWaalsContact C-N 3.28Å; H59-L61 PolarHBondContact ND1-N 3.49Å; H59-L61 VanDerWaalsContact ND1-N 3.18Å; H59-L61 PolarHBondContact O-N 2.9Å; L61-G94 CarbonylContact O-C 3.52Å; L61-G94 VanDerWaalsContact O-CA 3.26Å; L61-G94 WeakPolarHBondContact O-CA 3.16Å; L61-P95 WeakPolarHBondContact O-CD 3.46Å; L61-F239 HydrophobicContact CD1-CD1 4.45Å; L61-F239 HydrophobicContact CD1-CE1 3.66Å; L61-F239 HydrophobicContact CD1-CE2 4.2Å; L61-F239 HydrophobicContact CD1-CZ 3.51Å; L61-F239 HydrophobicContact CD2-CE1 4.06Å; L61-F239 HydrophobicContact CD2-CZ 4.32Å; L61-F239 HydrophobicContact CG-CD1 4.36Å; L61-F239 HydrophobicContact CG-CE1 3.58Å; L61-F239 HydrophobicContact CG-CZ 3.95Å
62	F	92.6	Very high	94.2	Very high	80 Å²	80	54.9 Å²	54.9	35%	0.351	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-5.6	-169.1	-65.4	-70.5	0	0	0	112.5	H59 N64 V65 L66 G94 F239	H59-F62 HydrophobicContact CB-CB 4.31Å; H59-F62 AromaticContact CE1-CD2 3.67Å; H59-F62 AromaticContact ND1-CD2 3.45Å; H59-F62 WeakPolarHBondContact ND1-CD2 3.43Å; H59-F62 PolarHBondContact ND1-N 3.37Å; F62-N64 PolarHBondContact O-N 3Å; F62-V65 WeakPolarHBondContact O-CB 3.41Å; F62-V65 WeakPolarHBondContact O-CG2 3.25Å; F62-V65 PolarHBondContact O-N 3.39Å; F62-L66 HydrophobicContact CB-CD1 3.97Å; F62-L66 HydrophobicContact CB-CD2 4.19Å; F62-L66 HydrophobicContact CB-CG 3.75Å; F62-L66 HydrophobicContact CD2-CD1 3.85Å; F62-L66 HydrophobicContact CD2-CD2 4.32Å; F62-L66 HydrophobicContact CD2-CG 4.31Å; F62-L66 HydrophobicContact CG-CD1 4.17Å; F62-L66 HydrophobicContact CG-CD2 4.13Å; F62-L66 HydrophobicContact CG-CG 4.15Å; F62-G94 PolarHBondContact O-N 2.89Å; F62-F239 HydrophobicContact CD1-CD1 4.22Å; F62-F239 HydrophobicContact CD1-CE1 4.37Å; F62-F239 HydrophobicContact CE1-CD1 4.31Å; F62-F239 HydrophobicContact CE1-CE1 4.08Å
63	G	95.4	Very high	94.1	Very high	2 Å²	2	55.5 Å²	55.5	2%	0.021	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	60.9	-131.9	-173.8	0	0	0	0	0	111.1	H59 W92	H59-G63 WeakPolarHBondContact CB-O 3.49Å; H59-G63 PolarHBondContact N-O 2.94Å; H59-G63 VanDerWaalsContact O-CA 3.27Å; H59-G63 WeakPolarHBondContact O-CA 3.04Å; H59-G63 PolarHBondContact O-N 2.87Å; G63-W92 VanDerWaalsContact CA-CB 3.41Å; G63-W92 WeakPolarHBondContact CA-O 3.37Å
64	N	96.3	Very high	94	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.011	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	3	177.9	-58.2	108.6	0	0	0	112.9	P56 P57 F62 L66 E67 F68 W81 M91 W92	P56-N64 PolarHBondContact O-ND2 2.72Å; P57-N64 PolarHBondContact O-ND2 3.09Å; F62-N64 PolarHBondContact O-N 3Å; N64-L66 PolarHBondContact O-N 3.26Å; N64-E67 VanDerWaalsContact O-CB 3.31Å; N64-E67 WeakPolarHBondContact O-CB 3.43Å; N64-E67 PolarHBondContact O-N 3.17Å; N64-E67 VanDerWaalsContact O-N 3.07Å; N64-F68 HydrophobicContact CB-CE2 4.49Å; N64-F68 WeakPolarHBondContact O-CD2 3.33Å; N64-W81 HydrophobicContact CB-CH2 3.89Å; N64-W81 HydrophobicContact CB-CZ3 4.26Å; N64-M91 WeakPolarHBondContact OD1-CA 3.39Å; N64-W92 PolarHBondContact N-O 2.64Å; N64-W92 PolarHBondContact OD1-N 3.33Å
65	V	94.8	Very high	93.9	Very high	15 Å²	15	52.2 Å²	52.2	9%	0.091	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-60	-34.1	-173.9	175.9	0	0	0	0	112.8	F62 E67 F68 F93 R237	F62-V65 WeakPolarHBondContact O-CB 3.41Å; F62-V65 WeakPolarHBondContact O-CG2 3.25Å; F62-V65 PolarHBondContact O-N 3.39Å; V65-E67 PolarHBondContact O-N 3.21Å; V65-F68 PolarHBondContact O-N 3.2Å; V65-F68 VanDerWaalsContact O-N 3.11Å; V65-F93 HydrophobicContact CG2-CD1 4.08Å; V65-R237 HydrophobicContact CG1-CB 3.8Å; V65-R237 HydrophobicContact CG1-CG 4.33Å; V65-R237 WeakPolarHBondContact CG1-O 3.49Å; V65-R237 WeakPolarHBondContact CG2-O 3.45Å
66	L	93.7	Very high	93.8	Very high	102 Å²	102	55.3 Å²	55.3	53%	0.534	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-66.4	-18.3	-179.5	-59.7	-179.1	0	0	0	113.4	H59 F62 N64 F68	H59-L66 HydrophobicContact CB-CD1 4.42Å; F62-L66 HydrophobicContact CB-CD1 3.97Å; F62-L66 HydrophobicContact CB-CD2 4.19Å; F62-L66 HydrophobicContact CB-CG 3.75Å; F62-L66 HydrophobicContact CD2-CD1 3.85Å; F62-L66 HydrophobicContact CD2-CD2 4.32Å; F62-L66 HydrophobicContact CD2-CG 4.31Å; F62-L66 HydrophobicContact CG-CD1 4.17Å; F62-L66 HydrophobicContact CG-CD2 4.13Å; F62-L66 HydrophobicContact CG-CG 4.15Å; N64-L66 PolarHBondContact O-N 3.26Å; L66-F68 VanDerWaalsContact C-N 3.25Å; L66-F68 PolarHBondContact O-N 3.28Å
67	E	94.8	Very high	93.8	Very high	83 Å²	83	57.9 Å²	57.9	39%	0.388	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-77.5	-14.1	176.6	-62.4	-66.3	137.9	0	0	112.6	N64 V65 K77 W81	N64-E67 VanDerWaalsContact O-CB 3.31Å; N64-E67 WeakPolarHBondContact O-CB 3.43Å; N64-E67 PolarHBondContact O-N 3.17Å; N64-E67 VanDerWaalsContact O-N 3.07Å; V65-E67 PolarHBondContact O-N 3.21Å; E67-K77 WeakPolarHBondContact OE2-CE 3.42Å; E67-K77 IonicContact OE2-NZ 3.37Å; E67-K77 PolarHBondContact OE2-NZ 3.35Å; E67-W81 HydrophobicContact CB-CH2 3.73Å; E67-W81 HydrophobicContact CB-CZ2 3.77Å; E67-W81 HydrophobicContact CG-CH2 3.99Å; E67-W81 HydrophobicContact CG-CZ2 3.81Å
68	F	93.1	Very high	93.9	Very high	22 Å²	22	53.1 Å²	53.1	10%	0.096	27%	0.274	C	S	.	.			trans	-106.1	102.6	-179.2	-59.7	-65.5	0	0	0	109.7	N64 V65 L66 D74 K77 V78 W81 M91 R237	N64-F68 HydrophobicContact CB-CE2 4.49Å; N64-F68 WeakPolarHBondContact O-CD2 3.33Å; V65-F68 PolarHBondContact O-N 3.2Å; V65-F68 VanDerWaalsContact O-N 3.11Å; L66-F68 VanDerWaalsContact C-N 3.25Å; L66-F68 PolarHBondContact O-N 3.28Å; F68-D74 WeakPolarHBondContact CA-OD1 3.35Å; F68-D74 HydrophobicContact CD1-CB 3.85Å; F68-K77 HydrophobicContact CE1-CB 4.4Å; F68-K77 HydrophobicContact CE1-CG 4.37Å; F68-V78 HydrophobicContact CE1-CG2 3.78Å; F68-V78 HydrophobicContact CZ-CG2 4.23Å; F68-W81 HydrophobicContact CE1-CH2 4.47Å; F68-W81 HydrophobicContact CE1-CZ3 4.21Å; F68-W81 HydrophobicContact CE2-CH2 4.08Å; F68-W81 AromaticContact CE2-CZ3 3.91Å; F68-W81 HydrophobicContact CE2-CZ3 3.91Å; F68-W81 HydrophobicContact CZ-CE3 4.21Å; F68-W81 AromaticContact CZ-CH2 3.81Å; F68-W81 HydrophobicContact CZ-CH2 3.81Å; F68-W81 AromaticContact CZ-CZ3 3.38Å; F68-W81 HydrophobicContact CZ-CZ3 3.38Å; F68-M91 HydrophobicContact CZ-SD 4.14Å; F68-R237 PolarHBondContact O-NH2 3.37Å
69	K	92.4	Very high	94	Very high	154 Å²	154	53 Å²	53	67%	0.67	27%	0.269	S	S	*	.			trans	-80.9	-19	-173.4	-66.3	-179.6	-179.7	179.1	0	113.4	D71 D74	K69-D71 HydrophobicContact CB-CB 4.25Å; K69-D71 WeakPolarHBondContact CB-OD2 3.2Å; K69-D71 VanDerWaalsContact CD-OD2 3.27Å; K69-D71 WeakPolarHBondContact CD-OD2 3.43Å; K69-D71 PolarHBondContact O-N 3.1Å; K69-D74 PolarHBondContact N-OD1 3.49Å
70	Q	92.4	Very high	94.1	Very high	28 Å²	28	54.1 Å²	54.1	13%	0.131	27%	0.272	C	S	.	.	S	Bend	trans	61.1	34.8	-174	-50.1	-89	-77.1	0	0	112.6	D74 N233 R237 I497 L505	Q70-D74 WeakPolarHBondContact CA-OD2 3.36Å; Q70-D74 PolarHBondContact N-OD1 3.22Å; Q70-D74 PolarHBondContact N-OD2 3.03Å; Q70-D74 PolarHBondContact NE2-OD2 3.29Å; Q70-N233 PolarHBondContact OE1-OD1 2.84Å; Q70-R237 VanDerWaalsContact CG-NH2 3.25Å; Q70-I497 HydrophobicContact CB-CD1 3.94Å; Q70-L505 VanDerWaalsContact O-CD1 3.25Å; Q70-L505 WeakPolarHBondContact O-CD1 3.48Å
71	D	93.3	Very high	94.5	Very high	67 Å²	67	50.4 Å²	50.4	36%	0.358	25%	0.247	S	C	.	.	S	Bend	trans	-105.9	8.8	178.2	62.2	2.3	0	0	0	112.6	K69 T73	K69-D71 HydrophobicContact CB-CB 4.25Å; K69-D71 WeakPolarHBondContact CB-OD2 3.2Å; K69-D71 VanDerWaalsContact CD-OD2 3.27Å; K69-D71 WeakPolarHBondContact CD-OD2 3.43Å; K69-D71 PolarHBondContact O-N 3.1Å; D71-T73 WeakPolarHBondContact OD1-CB 3.48Å; D71-T73 WeakPolarHBondContact OD1-CG2 3.48Å; D71-T73 PolarHBondContact OD1-N 2.92Å; D71-T73 PolarHBondContact OD1-OG1 3.25Å
72	G	93.2	Very high	94.8	Very high	11 Å²	11	47.4 Å²	47.4	11%	0.113	23%	0.234	C	C	.	.	S	Bend	trans	99	-5.2	-177	0	0	0	0	0	114.2	I496 L505	G72-I496 WeakPolarHBondContact CA-O 3.33Å; G72-L505 VanDerWaalsContact N-CD1 3.33Å
73	T	94.6	Very high	95	Very high	63 Å²	63	50.7 Å²	50.7	39%	0.387	25%	0.25	S	S	.	.			trans	-99.7	-4.8	-175.8	68.5	0	0	0	0	114.3	D71 F75 I76 K77	D71-T73 WeakPolarHBondContact OD1-CB 3.48Å; D71-T73 WeakPolarHBondContact OD1-CG2 3.48Å; D71-T73 PolarHBondContact OD1-N 2.92Å; D71-T73 PolarHBondContact OD1-OG1 3.25Å; T73-F75 VanDerWaalsContact C-N 3.28Å; T73-F75 PolarHBondContact O-N 3.3Å; T73-I76 WeakPolarHBondContact O-CB 3.11Å; T73-I76 PolarHBondContact O-N 2.87Å; T73-K77 PolarHBondContact O-N 2.67Å
74	D	94.3	Very high	95.1	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.027	28%	0.276	C	S	.	.	H	α-helix	trans	-57.2	-38.5	-173.2	-69.3	0.8	0	0	0	112.9	F68 K69 Q70 K77 V78	F68-D74 WeakPolarHBondContact CA-OD1 3.35Å; F68-D74 HydrophobicContact CD1-CB 3.85Å; K69-D74 PolarHBondContact N-OD1 3.49Å; Q70-D74 WeakPolarHBondContact CA-OD2 3.36Å; Q70-D74 PolarHBondContact N-OD1 3.22Å; Q70-D74 PolarHBondContact N-OD2 3.03Å; Q70-D74 PolarHBondContact NE2-OD2 3.29Å; D74-K77 VanDerWaalsContact O-CB 3.32Å; D74-K77 WeakPolarHBondContact O-CB 3.31Å; D74-K77 PolarHBondContact O-N 3.26Å; D74-V78 WeakPolarHBondContact O-CG2 3.2Å; D74-V78 PolarHBondContact O-N 3.29Å; D74-V78 VanDerWaalsContact O-N 3.12Å
75	F	95.1	Very high	95.2	Very high	14 Å²	14	56.9 Å²	56.9	6%	0.061	29%	0.286	C	S	.	.	H	α-helix	trans	-71.3	-32.8	177.9	-82.8	-60.5	0	0	0	113.6	T73 K77 V78 L79 P391 F420 I496 P498 L502	T73-F75 VanDerWaalsContact C-N 3.28Å; T73-F75 PolarHBondContact O-N 3.3Å; F75-K77 PolarHBondContact O-N 2.86Å; F75-V78 PolarHBondContact O-N 2.99Å; F75-L79 WeakPolarHBondContact O-CG 3.41Å; F75-L79 PolarHBondContact O-N 3.49Å; F75-P391 HydrophobicContact CE1-CB 3.68Å; F75-P391 HydrophobicContact CE1-CG 4.24Å; F75-P391 HydrophobicContact CE2-CB 4.45Å; F75-P391 HydrophobicContact CE2-CG 4.49Å; F75-P391 HydrophobicContact CZ-CB 3.42Å; F75-P391 VanDerWaalsContact CZ-CB 3.42Å; F75-P391 HydrophobicContact CZ-CG 3.56Å; F75-F420 HydrophobicContact CB-CD1 4.1Å; F75-F420 HydrophobicContact CB-CE1 3.57Å; F75-F420 HydrophobicContact CB-CE2 4.48Å; F75-F420 HydrophobicContact CB-CZ 3.8Å; F75-F420 HydrophobicContact CD1-CB 4.12Å; F75-F420 AromaticContact CD1-CD1 3.51Å; F75-F420 HydrophobicContact CD1-CD1 3.51Å; F75-F420 HydrophobicContact CD1-CD2 4.07Å; F75-F420 AromaticContact CD1-CE1 3.88Å; F75-F420 HydrophobicContact CD1-CE1 3.88Å; F75-F420 HydrophobicContact CD1-CE2 4.4Å; F75-F420 AromaticContact CD1-CG 3.61Å; F75-F420 HydrophobicContact CD1-CG 3.61Å; F75-F420 HydrophobicContact CD1-CZ 4.32Å; F75-F420 HydrophobicContact CE1-CB 4.02Å; F75-F420 HydrophobicContact CE1-CD1 4.26Å; F75-F420 HydrophobicContact CE1-CD2 4.29Å; F75-F420 AromaticContact CE1-CG 3.93Å; F75-F420 HydrophobicContact CE1-CG 3.93Å; F75-F420 HydrophobicContact CG-CD1 4.05Å; F75-F420 HydrophobicContact CG-CD2 4.37Å; F75-F420 AromaticContact CG-CE1 3.93Å; F75-F420 HydrophobicContact CG-CE1 3.93Å; F75-F420 HydrophobicContact CG-CE2 4.27Å; F75-F420 HydrophobicContact CG-CG 4.27Å; F75-F420 HydrophobicContact CG-CZ 4.05Å; F75-I496 HydrophobicContact CB-CD1 3.75Å; F75-I496 HydrophobicContact CB-CG1 4.4Å; F75-I496 HydrophobicContact CD2-CB 4.42Å; F75-I496 HydrophobicContact CD2-CD1 3.78Å; F75-I496 HydrophobicContact CD2-CG1 4Å; F75-I496 HydrophobicContact CG-CD1 4.1Å; F75-P498 HydrophobicContact CE2-CB 4.04Å; F75-P498 HydrophobicContact CE2-CG 4.09Å; F75-P498 HydrophobicContact CZ-CB 3.8Å; F75-P498 HydrophobicContact CZ-CG 4.07Å; F75-L502 HydrophobicContact CD2-CD1 4.04Å; F75-L502 HydrophobicContact CE2-CD1 3.39Å; F75-L502 HydrophobicContact CZ-CD1 4.05Å
76	I	94.9	Very high	95.2	Very high	90 Å²	90	60 Å²	60	46%	0.462	31%	0.306	S	S	.	.	H	α-helix	trans	-60.8	-39.7	172.4	-59.2	171.4	0	0	0	109.3	T73 L79 K80	T73-I76 WeakPolarHBondContact O-CB 3.11Å; T73-I76 PolarHBondContact O-N 2.87Å; I76-L79 PolarHBondContact O-N 2.78Å; I76-K80 HydrophobicContact CG2-CD 4.4Å; I76-K80 WeakPolarHBondContact O-CG 3.36Å; I76-K80 PolarHBondContact O-N 2.71Å
77	K	95.6	Very high	95.4	Very high	63 Å²	63	58.9 Å²	58.9	27%	0.274	30%	0.295	S	S	.	.	H	α-helix	trans	-63.1	-44.2	175.6	-169.8	69.2	159.3	-168.8	0	111.9	E67 F68 T73 D74 F75 L79 K80 W81	E67-K77 WeakPolarHBondContact OE2-CE 3.42Å; E67-K77 IonicContact OE2-NZ 3.37Å; E67-K77 PolarHBondContact OE2-NZ 3.35Å; F68-K77 HydrophobicContact CE1-CB 4.4Å; F68-K77 HydrophobicContact CE1-CG 4.37Å; T73-K77 PolarHBondContact O-N 2.67Å; D74-K77 VanDerWaalsContact O-CB 3.32Å; D74-K77 WeakPolarHBondContact O-CB 3.31Å; D74-K77 PolarHBondContact O-N 3.26Å; F75-K77 PolarHBondContact O-N 2.86Å; K77-L79 VanDerWaalsContact C-N 3.35Å; K77-L79 PolarHBondContact O-N 2.71Å; K77-K80 PolarHBondContact O-N 3.46Å; K77-W81 HydrophobicContact CD-CZ2 4.27Å; K77-W81 HydrophobicContact CG-CD2 4.41Å; K77-W81 HydrophobicContact CG-CH2 4.43Å; K77-W81 HydrophobicContact CG-CZ2 3.97Å; K77-W81 PolarHBondContact O-N 2.76Å
78	V	96	Very high	95.5	Very high	13 Å²	13	54.9 Å²	54.9	8%	0.079	28%	0.277	C	S	.	.	H	α-helix	trans	-59.7	-43.9	176.1	174.8	0	0	0	0	111.3	F68 D74 F75 W81 A82 F89 A421	F68-V78 HydrophobicContact CE1-CG2 3.78Å; F68-V78 HydrophobicContact CZ-CG2 4.23Å; D74-V78 WeakPolarHBondContact O-CG2 3.2Å; D74-V78 PolarHBondContact O-N 3.29Å; D74-V78 VanDerWaalsContact O-N 3.12Å; F75-V78 PolarHBondContact O-N 2.99Å; V78-W81 PolarHBondContact O-N 3.12Å; V78-A82 PolarHBondContact O-N 3.45Å; V78-F89 HydrophobicContact CG1-CZ 4.39Å; V78-A421 HydrophobicContact CG1-CB 4.45Å
79	L	96.9	Very high	95.8	Very high	27 Å²	27	53.9 Å²	53.9	14%	0.141	27%	0.272	C	S	.	.	H	α-helix	trans	-63	-46.9	177.7	-67.2	178.1	0	0	0	111.9	F75 I76 K77 W81 A82 E83 F420 A421 R424	F75-L79 WeakPolarHBondContact O-CG 3.41Å; F75-L79 PolarHBondContact O-N 3.49Å; I76-L79 PolarHBondContact O-N 2.78Å; K77-L79 VanDerWaalsContact C-N 3.35Å; K77-L79 PolarHBondContact O-N 2.71Å; L79-W81 PolarHBondContact O-N 2.93Å; L79-A82 WeakPolarHBondContact O-CA 3.34Å; L79-A82 WeakPolarHBondContact O-CB 3.44Å; L79-A82 PolarHBondContact O-N 3.27Å; L79-E83 WeakPolarHBondContact O-CG 3.33Å; L79-E83 PolarHBondContact O-N 3.24Å; L79-F420 HydrophobicContact CD1-CE1 3.72Å; L79-F420 HydrophobicContact CD2-CD1 3.91Å; L79-F420 HydrophobicContact CD2-CE1 3.93Å; L79-F420 HydrophobicContact CG-CD1 4.15Å; L79-F420 HydrophobicContact CG-CE1 3.77Å; L79-A421 HydrophobicContact CD2-CB 4.24Å; L79-R424 HydrophobicContact CD2-CB 3.93Å
80	K	97.1	Very high	96	Very high	121 Å²	121	47 Å²	47	53%	0.526	24%	0.243	S	C	.	.	H	α-helix	trans	-57.5	-37.5	175.8	-73	178.7	178	-175.7	0	112.7	I76 K77 S84	I76-K80 HydrophobicContact CG2-CD 4.4Å; I76-K80 WeakPolarHBondContact O-CG 3.36Å; I76-K80 PolarHBondContact O-N 2.71Å; K77-K80 PolarHBondContact O-N 3.46Å; K80-S84 WeakPolarHBondContact O-CB 3.33Å; K80-S84 PolarHBondContact O-N 3.18Å; K80-S84 PolarHBondContact O-OG 2.85Å
81	W	97.6	Very high	96.2	Very high	20 Å²	20	46.6 Å²	46.6	8%	0.076	24%	0.242	C	C	.	.	H	α-helix	trans	-70.2	-40.3	174	-69.1	-10.1	0	0	0	112.2	P56 N64 E67 F68 K77 V78 L79 E83 S84 Y85 F89 M91	P56-W81 HydrophobicContact CB-CD2 4.04Å; P56-W81 HydrophobicContact CB-CH2 4.28Å; P56-W81 HydrophobicContact CB-CZ2 3.74Å; P56-W81 HydrophobicContact CG-CD2 3.73Å; P56-W81 HydrophobicContact CG-CE3 3.78Å; P56-W81 HydrophobicContact CG-CG 4.35Å; P56-W81 HydrophobicContact CG-CH2 3.98Å; P56-W81 HydrophobicContact CG-CZ2 3.91Å; P56-W81 HydrophobicContact CG-CZ3 3.88Å; N64-W81 HydrophobicContact CB-CH2 3.89Å; N64-W81 HydrophobicContact CB-CZ3 4.26Å; E67-W81 HydrophobicContact CB-CH2 3.73Å; E67-W81 HydrophobicContact CB-CZ2 3.77Å; E67-W81 HydrophobicContact CG-CH2 3.99Å; E67-W81 HydrophobicContact CG-CZ2 3.81Å; F68-W81 HydrophobicContact CE1-CH2 4.47Å; F68-W81 HydrophobicContact CE1-CZ3 4.21Å; F68-W81 HydrophobicContact CE2-CH2 4.08Å; F68-W81 AromaticContact CE2-CZ3 3.91Å; F68-W81 HydrophobicContact CE2-CZ3 3.91Å; F68-W81 HydrophobicContact CZ-CE3 4.21Å; F68-W81 AromaticContact CZ-CH2 3.81Å; F68-W81 HydrophobicContact CZ-CH2 3.81Å; F68-W81 AromaticContact CZ-CZ3 3.38Å; F68-W81 HydrophobicContact CZ-CZ3 3.38Å; K77-W81 HydrophobicContact CD-CZ2 4.27Å; K77-W81 HydrophobicContact CG-CD2 4.41Å; K77-W81 HydrophobicContact CG-CH2 4.43Å; K77-W81 HydrophobicContact CG-CZ2 3.97Å; K77-W81 PolarHBondContact O-N 2.76Å; V78-W81 PolarHBondContact O-N 3.12Å; L79-W81 PolarHBondContact O-N 2.93Å; W81-E83 VanDerWaalsContact C-N 3.29Å; W81-E83 PolarHBondContact O-N 3.23Å; W81-S84 PolarHBondContact O-N 2.76Å; W81-Y85 HydrophobicContact CB-CD2 4.31Å; W81-Y85 WeakPolarHBondContact O-CB 2.98Å; W81-Y85 WeakPolarHBondContact O-CD2 3.49Å; W81-Y85 PolarHBondContact O-N 3.45Å; W81-F89 HydrophobicContact CB-CD1 4.39Å; W81-F89 HydrophobicContact CB-CD2 4.38Å; W81-F89 HydrophobicContact CB-CE1 4.02Å; W81-F89 HydrophobicContact CB-CE2 4.01Å; W81-F89 HydrophobicContact CB-CZ 3.8Å; W81-F89 HydrophobicContact CD2-CE2 4.45Å; W81-F89 HydrophobicContact CE3-CD2 4.26Å; W81-F89 AromaticContact CE3-CE2 3.66Å; W81-F89 HydrophobicContact CE3-CE2 3.66Å; W81-F89 HydrophobicContact CE3-CZ 4.32Å; W81-M91 HydrophobicContact CE3-SD 4.49Å; W81-M91 HydrophobicContact CZ3-CG 4.38Å; W81-M91 HydrophobicContact CZ3-SD 4.26Å
82	A	97.4	Very high	96.4	Very high	14 Å²	14	44 Å²	44	12%	0.116	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-38.2	175.3	0	0	0	0	0	112.3	V78 L79 F89 H103 A421	V78-A82 PolarHBondContact O-N 3.45Å; L79-A82 WeakPolarHBondContact O-CA 3.34Å; L79-A82 WeakPolarHBondContact O-CB 3.44Å; L79-A82 PolarHBondContact O-N 3.27Å; A82-F89 HydrophobicContact CB-CE1 4.13Å; A82-H103 HydrophobicContact CB-CB 4.45Å; A82-H103 PolarHBondContact O-CE1 2.79Å; A82-H103 PolarHBondContact O-NE2 3.17Å; A82-A421 HydrophobicContact CB-CB 3.92Å
83	E	96.2	Very high	96.6	Very high	149 Å²	149	44.6 Å²	44.6	70%	0.696	23%	0.226	S	C	*	.	H	α-helix	trans	-65.8	-42.1	173.2	-70.5	166.8	-170.2	0	0	112.2	L79 W81	L79-E83 WeakPolarHBondContact O-CG 3.33Å; L79-E83 PolarHBondContact O-N 3.24Å; W81-E83 VanDerWaalsContact C-N 3.29Å; W81-E83 PolarHBondContact O-N 3.23Å
84	S	97.4	Very high	96.6	Very high	80 Å²	80	41.6 Å²	41.6	56%	0.559	21%	0.208	S	C	*	.	H	α-helix	trans	-74.1	-27.9	-177.5	-57.9	0	0	0	0	113.4	K80 W81	K80-S84 WeakPolarHBondContact O-CB 3.33Å; K80-S84 PolarHBondContact O-N 3.18Å; K80-S84 PolarHBondContact O-OG 2.85Å; W81-S84 PolarHBondContact O-N 2.76Å
85	Y	97.4	Very high	96.5	Very high	54 Å²	54	42 Å²	42	21%	0.212	21%	0.211	C	C	.	.	S	Bend	trans	-125.4	96.1	-173.7	-57.9	-68.9	0	0	0	110.4	P54 G55 P56 W81 Y87 F89 H103	P54-Y85 HydrophobicContact CB-CD1 3.94Å; P54-Y85 HydrophobicContact CB-CE1 4.16Å; P54-Y85 WeakPolarHBondContact O-CD1 3.47Å; G55-Y85 PolarHBondContact O-OH 3.05Å; P56-Y85 HydrophobicContact CB-CE2 4.34Å; W81-Y85 HydrophobicContact CB-CD2 4.31Å; W81-Y85 WeakPolarHBondContact O-CB 2.98Å; W81-Y85 WeakPolarHBondContact O-CD2 3.49Å; W81-Y85 PolarHBondContact O-N 3.45Å; Y85-Y87 PolarHBondContact O-N 2.96Å; Y85-F89 HydrophobicContact CD2-CB 4Å; Y85-F89 HydrophobicContact CD2-CG 4.36Å; Y85-F89 HydrophobicContact CG-CB 4.01Å; Y85-H103 PolarHBondContact O-CE1 2.84Å; Y85-H103 PolarHBondContact O-NE2 3.03Å
86	P	95.1	Very high	96.3	Very high	81 Å²	81	42.4 Å²	42.4	53%	0.526	22%	0.216	S	C	.	.	S	Bend	trans	-54.9	137.1	-178.1	-28.2	35.4	0	0	0	113.1	A88 R407	P86-A88 PolarHBondContact O-N 2.92Å; P86-R407 PolarHBondContact O-NH2 3.11Å
87	Y	97.6	Very high	96.3	Very high	77 Å²	77	39 Å²	39	30%	0.302	20%	0.199	S	C	.	.	S	Bend	trans	68.9	-47.1	176	-40.8	-67.2	0	0	0	116.7	Y85 H103 H104 Y107 F404	Y85-Y87 PolarHBondContact O-N 2.96Å; Y87-H103 PolarHBondContact N-CE1 3.34Å; Y87-H103 VanDerWaalsContact N-CE1 3.32Å; Y87-H103 PolarHBondContact O-CD2 3.37Å; Y87-H103 PolarHBondContact O-N 2.64Å; Y87-H104 HydrophobicContact CD1-CB 3.69Å; Y87-H104 AromaticContact CD1-CD2 3.79Å; Y87-H104 AromaticContact CD1-CG 3.55Å; Y87-H104 AromaticContact CD1-ND1 3.96Å; Y87-H104 AromaticContact CE1-CD2 3.94Å; Y87-H104 HydrophobicContact CG-CB 4.46Å; Y87-Y107 HydrophobicContact CG-CD2 4.45Å; Y87-Y107 HydrophobicContact CG-CE2 4.01Å; Y87-F404 HydrophobicContact CD1-CE1 4.03Å; Y87-F404 AromaticContact CD1-CZ 3.87Å; Y87-F404 HydrophobicContact CD1-CZ 3.87Å; Y87-F404 HydrophobicContact CE1-CE1 4.11Å; Y87-F404 AromaticContact CE1-CZ 3.48Å; Y87-F404 HydrophobicContact CE1-CZ 3.48Å; Y87-F404 VanDerWaalsContact CE1-CZ 3.48Å; Y87-F404 HydrophobicContact CE2-CZ 4.34Å; Y87-F404 HydrophobicContact CG-CZ 4.47Å; Y87-F404 AromaticContact CZ-CZ 3.7Å
88	A	98.2	Very high	96.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	153.6	-176.2	0	0	0	0	0	113.1	F53 P86 L100 N101 I102 Y107	F53-A88 HydrophobicContact CD1-CB 4.22Å; P86-A88 PolarHBondContact O-N 2.92Å; A88-L100 HydrophobicContact CB-CD1 3.75Å; A88-L100 HydrophobicContact CB-CD2 4.06Å; A88-L100 HydrophobicContact CB-CG 3.89Å; A88-N101 CarbonylContact C-O 3.49Å; A88-N101 WeakPolarHBondContact CA-O 3.38Å; A88-N101 WeakPolarHBondContact CB-O 3.48Å; A88-I102 HydrophobicContact CB-CB 4.41Å; A88-I102 HydrophobicContact CB-CG2 3.84Å; A88-Y107 HydrophobicContact CB-CD1 4.03Å; A88-Y107 HydrophobicContact CB-CE1 3.88Å
89	F	98.3	Very high	96.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	144.4	172.4	56.5	-89.7	0	0	0	111.8	V78 W81 A82 Y85 M91 N101 H103	V78-F89 HydrophobicContact CG1-CZ 4.39Å; W81-F89 HydrophobicContact CB-CD1 4.39Å; W81-F89 HydrophobicContact CB-CD2 4.38Å; W81-F89 HydrophobicContact CB-CE1 4.02Å; W81-F89 HydrophobicContact CB-CE2 4.01Å; W81-F89 HydrophobicContact CB-CZ 3.8Å; W81-F89 HydrophobicContact CD2-CE2 4.45Å; W81-F89 HydrophobicContact CE3-CD2 4.26Å; W81-F89 AromaticContact CE3-CE2 3.66Å; W81-F89 HydrophobicContact CE3-CE2 3.66Å; W81-F89 HydrophobicContact CE3-CZ 4.32Å; A82-F89 HydrophobicContact CB-CE1 4.13Å; Y85-F89 HydrophobicContact CD2-CB 4Å; Y85-F89 HydrophobicContact CD2-CG 4.36Å; Y85-F89 HydrophobicContact CG-CB 4.01Å; F89-M91 HydrophobicContact CD2-CG 3.79Å; F89-M91 HydrophobicContact CE2-CG 3.5Å; F89-M91 HydrophobicContact CE2-SD 3.69Å; F89-M91 HydrophobicContact CZ-SD 4.47Å; F89-N101 HydrophobicContact CD2-CB 4.15Å; F89-N101 HydrophobicContact CE1-CB 4.4Å; F89-N101 HydrophobicContact CE2-CB 3.85Å; F89-N101 HydrophobicContact CZ-CB 4Å; F89-N101 VanDerWaalsContact CZ-ND2 3.26Å; F89-N101 WeakPolarHBondContact CZ-ND2 3.43Å; F89-N101 PolarHBondContact N-O 3.07Å; F89-N101 WeakPolarHBondContact O-CB 3.24Å; F89-N101 PolarHBondContact O-N 3.46Å; F89-H103 AromaticContact CD1-CD2 3.87Å; F89-H103 AromaticContact CE1-CD2 3.78Å
90	P	97.9	Very high	96.5	Very high	10 Å²	10	34.8 Å²	34.8	7%	0.065	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	138.9	174.7	28.4	-34.9	0	0	0	111.8	F50 F53 P54 C98	F50-P90 HydrophobicContact CB-CB 4.45Å; F53-P90 VanDerWaalsContact O-CD 3.3Å; F53-P90 WeakPolarHBondContact O-CD 3.49Å; P54-P90 WeakPolarHBondContact O-CD 3.5Å; P90-C98 VanDerWaalsContact CB-SG 3.57Å
91	M	97.1	Very high	96.6	Very high	20 Å²	20	29.5 Å²	29.5	10%	0.099	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	125.5	168.6	-67.4	-165.4	-54.4	0	0	110.7	N64 F68 W81 F89 F93 C98 I99 N101	N64-M91 WeakPolarHBondContact OD1-CA 3.39Å; F68-M91 HydrophobicContact CZ-SD 4.14Å; W81-M91 HydrophobicContact CE3-SD 4.49Å; W81-M91 HydrophobicContact CZ3-CG 4.38Å; W81-M91 HydrophobicContact CZ3-SD 4.26Å; F89-M91 HydrophobicContact CD2-CG 3.79Å; F89-M91 HydrophobicContact CE2-CG 3.5Å; F89-M91 HydrophobicContact CE2-SD 3.69Å; F89-M91 HydrophobicContact CZ-SD 4.47Å; M91-F93 HydrophobicContact CB-CE2 4.06Å; M91-F93 HydrophobicContact CE-CE2 4.41Å; M91-F93 HydrophobicContact CE-CZ 4.29Å; M91-C98 WeakPolarHBondContact O-CA 3.23Å; M91-I99 PolarHBondContact N-O 2.98Å; M91-I99 PolarHBondContact O-N 3.05Å; M91-N101 HydrophobicContact CE-CB 3.84Å; M91-N101 VanDerWaalsContact CE-ND2 3.31Å; M91-N101 WeakPolarHBondContact CE-ND2 3.2Å; M91-N101 HydrophobicContact CG-CB 4.19Å; M91-N101 HydrophobicContact SD-CB 4.33Å
92	W	97.3	Very high	96.6	Very high	11 Å²	11	28.5 Å²	28.5	4%	0.042	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128	-177.3	-67.1	81.5	0	0	0	111.7	R43 L46 L47 A58 G63 N64 I97 C98	R43-W92 HydrophobicContact CG-CH2 4.32Å; R43-W92 HydrophobicContact CG-CZ3 4.07Å; L46-W92 HydrophobicContact CB-CH2 3.66Å; L46-W92 HydrophobicContact CB-CZ3 4.17Å; L46-W92 HydrophobicContact CD1-CZ3 4.19Å; L47-W92 HydrophobicContact CD2-CH2 3.99Å; L47-W92 HydrophobicContact CD2-CZ2 3.54Å; L47-W92 HydrophobicContact CG-CH2 3.9Å; L47-W92 HydrophobicContact CG-CZ2 3.96Å; A58-W92 HydrophobicContact CB-CB 3.99Å; A58-W92 VanDerWaalsContact CB-CD1 3.44Å; A58-W92 HydrophobicContact CB-CG 3.73Å; G63-W92 VanDerWaalsContact CA-CB 3.41Å; G63-W92 WeakPolarHBondContact CA-O 3.37Å; N64-W92 PolarHBondContact N-O 2.64Å; N64-W92 PolarHBondContact OD1-N 3.33Å; W92-I97 WeakPolarHBondContact CA-O 3.42Å; W92-C98 HydrophobicContact CD2-CB 3.84Å; W92-C98 HydrophobicContact CE3-CB 3.83Å; W92-C98 HydrophobicContact CH2-CB 4Å; W92-C98 HydrophobicContact CZ2-CB 3.98Å; W92-C98 HydrophobicContact CZ3-CB 3.92Å
93	F	95.9	Very high	96.6	Very high	24 Å²	24	28.1 Å²	28.1	11%	0.105	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-110.1	83.2	173.7	-64.5	-91	0	0	0	108.3	V65 M91 I97 I99 F122 V236 H242	V65-F93 HydrophobicContact CG2-CD1 4.08Å; M91-F93 HydrophobicContact CB-CE2 4.06Å; M91-F93 HydrophobicContact CE-CE2 4.41Å; M91-F93 HydrophobicContact CE-CZ 4.29Å; F93-I97 HydrophobicContact CB-CB 4.25Å; F93-I97 HydrophobicContact CB-CG2 4.21Å; F93-I97 PolarHBondContact N-O 3.23Å; F93-I99 HydrophobicContact CD2-CD1 3.98Å; F93-I99 HydrophobicContact CD2-CG1 4.14Å; F93-I99 HydrophobicContact CE2-CB 4.35Å; F93-I99 HydrophobicContact CE2-CD1 3.72Å; F93-I99 HydrophobicContact CE2-CG1 4.08Å; F93-F122 HydrophobicContact CB-CE1 4.18Å; F93-F122 HydrophobicContact CB-CZ 4.1Å; F93-F122 HydrophobicContact CG-CE1 4.26Å; F93-V236 HydrophobicContact CD1-CG1 3.77Å; F93-V236 HydrophobicContact CE1-CG1 3.84Å; F93-H242 PolarHBondContact O-CE1 2.87Å; F93-H242 VanDerWaalsContact O-CE1 3.31Å
94	G	94.3	Very high	96.7	Very high	1 Å²	1	22 Å²	22	1%	0.01	12%	0.119	C	C	.	.	S	Bend	trans	79.5	-157.3	-172.4	0	0	0	0	0	113.9	L61 F62	L61-G94 CarbonylContact O-C 3.52Å; L61-G94 VanDerWaalsContact O-CA 3.26Å; L61-G94 WeakPolarHBondContact O-CA 3.16Å; F62-G94 PolarHBondContact O-N 2.89Å
95	P	92.5	Very high	96.7	Very high	12 Å²	12	18.4 Å²	18.4	8%	0.078	9%	0.094	C	C	.	.	S	Bend	trans	-80.9	-24.7	-168.1	30.6	-34.5	0	0	0	114.1	I39 R43 L61 F239	I39-P95 HydrophobicContact CG2-CB 3.66Å; I39-P95 HydrophobicContact CG2-CG 3.79Å; R43-P95 WeakPolarHBondContact CB-O 3.44Å; R43-P95 WeakPolarHBondContact CD-O 3.39Å; R43-P95 VanDerWaalsContact CG-O 3.31Å; R43-P95 WeakPolarHBondContact CG-O 3.3Å; R43-P95 PolarHBondContact NH1-O 3.16Å; L61-P95 WeakPolarHBondContact O-CD 3.46Å; P95-F239 HydrophobicContact CG-CD2 4.38Å
96	S	91.9	Very high	96.7	Very high	23 Å²	23	18.9 Å²	18.9	16%	0.161	10%	0.1	C	C	.	.	S	Bend	trans	-133.2	9.7	-163.7	62.7	0	0	0	0	115.6	K42 L46	K42-S96 VanDerWaalsContact CE-O 3.29Å; K42-S96 WeakPolarHBondContact CE-O 3.31Å; L46-S96 VanDerWaalsContact CD1-O 3.3Å; L46-S96 WeakPolarHBondContact CD1-O 3.35Å
97	I	95.3	Very high	96.8	Very high	20 Å²	20	15 Å²	15	10%	0.103	8%	0.075	C	C	.	.			trans	-123.9	122.4	175.9	-56.8	-65.1	0	0	0	107.7	W92 F93 F122	W92-I97 WeakPolarHBondContact CA-O 3.42Å; F93-I97 HydrophobicContact CB-CB 4.25Å; F93-I97 HydrophobicContact CB-CG2 4.21Å; F93-I97 PolarHBondContact N-O 3.23Å; I97-F122 HydrophobicContact CD1-CD2 4.21Å; I97-F122 HydrophobicContact CG1-CD2 4.2Å; I97-F122 HydrophobicContact CG1-CE2 4.11Å; I97-F122 HydrophobicContact CG1-CZ 4.47Å; I97-F122 HydrophobicContact CG2-CD1 3.69Å; I97-F122 HydrophobicContact CG2-CD2 4.29Å; I97-F122 HydrophobicContact CG2-CE1 3.71Å; I97-F122 HydrophobicContact CG2-CE2 4.32Å; I97-F122 HydrophobicContact CG2-CG 3.98Å; I97-F122 HydrophobicContact CG2-CZ 4.04Å
98	C	96.8	Very high	96.8	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.007	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	128.1	176.8	-178.6	0	0	0	0	108.4	F50 P90 M91 W92	F50-C98 HydrophobicContact CD2-CB 4.02Å; F50-C98 VanDerWaalsContact CD2-SG 3.52Å; F50-C98 HydrophobicContact CE2-CB 3.66Å; F50-C98 VanDerWaalsContact CE2-SG 3.58Å; F50-C98 HydrophobicContact CZ-CB 4.31Å; P90-C98 VanDerWaalsContact CB-SG 3.57Å; M91-C98 WeakPolarHBondContact O-CA 3.23Å; W92-C98 HydrophobicContact CD2-CB 3.84Å; W92-C98 HydrophobicContact CE3-CB 3.83Å; W92-C98 HydrophobicContact CH2-CB 4Å; W92-C98 HydrophobicContact CZ2-CB 3.98Å; W92-C98 HydrophobicContact CZ3-CB 3.92Å
99	I	97.4	Very high	96.7	Very high	13 Å²	13	16.5 Å²	16.5	7%	0.067	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122.6	177.4	-57.6	-176.1	0	0	0	107.2	M91 F93 N101 F122 H414	M91-I99 PolarHBondContact N-O 2.98Å; M91-I99 PolarHBondContact O-N 3.05Å; F93-I99 HydrophobicContact CD2-CD1 3.98Å; F93-I99 HydrophobicContact CD2-CG1 4.14Å; F93-I99 HydrophobicContact CE2-CB 4.35Å; F93-I99 HydrophobicContact CE2-CD1 3.72Å; F93-I99 HydrophobicContact CE2-CG1 4.08Å; I99-N101 PolarHBondContact O-N 2.65Å; I99-F122 HydrophobicContact CD1-CD1 4.26Å; I99-F122 HydrophobicContact CD1-CE1 4.49Å; I99-H414 WeakPolarHBondContact CA-O 3.34Å; I99-H414 HydrophobicContact CB-CB 4.44Å; I99-H414 HydrophobicContact CG1-CB 3.96Å
100	L	98.3	Very high	96.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	109.4	168.6	-177.1	69.9	0	0	0	108.5	F50 F53 A88 I102 F403 L409 H414 I415 G416	F50-L100 HydrophobicContact CD1-CB 4.26Å; F50-L100 HydrophobicContact CD1-CD1 4.43Å; F50-L100 HydrophobicContact CE1-CB 3.77Å; F53-L100 HydrophobicContact CB-CD1 3.79Å; F53-L100 HydrophobicContact CD1-CD1 3.62Å; F53-L100 HydrophobicContact CD1-CD2 3.94Å; F53-L100 HydrophobicContact CD1-CG 4.46Å; F53-L100 HydrophobicContact CD2-CD1 4.18Å; F53-L100 HydrophobicContact CD2-CD2 4.47Å; F53-L100 HydrophobicContact CE1-CD1 4.24Å; F53-L100 HydrophobicContact CE1-CD2 3.68Å; F53-L100 HydrophobicContact CE2-CD2 4.23Å; F53-L100 HydrophobicContact CG-CD1 3.58Å; F53-L100 HydrophobicContact CG-CD2 4.33Å; F53-L100 HydrophobicContact CZ-CD2 3.83Å; A88-L100 HydrophobicContact CB-CD1 3.75Å; A88-L100 HydrophobicContact CB-CD2 4.06Å; A88-L100 HydrophobicContact CB-CG 3.89Å; L100-I102 HydrophobicContact CD2-CG2 3.96Å; L100-I102 HydrophobicContact CG-CG2 4Å; L100-I102 PolarHBondContact O-N 2.84Å; L100-F403 HydrophobicContact CD2-CE2 3.86Å; L100-F403 HydrophobicContact CD2-CZ 4.07Å; L100-L409 HydrophobicContact CB-CD1 4.02Å; L100-L409 HydrophobicContact CD2-CD1 3.45Å; L100-L409 VanDerWaalsContact CD2-CD1 3.45Å; L100-L409 HydrophobicContact CD2-CG 4.24Å; L100-L409 HydrophobicContact CG-CD1 4.34Å; L100-H414 PolarHBondContact N-O 3.47Å; L100-I415 WeakPolarHBondContact O-CA 3.49Å; L100-G416 PolarHBondContact O-N 3.01Å
101	N	98.2	Very high	96.4	Very high	9 Å²	9	18.6 Å²	18.6	5%	0.048	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	111.9	177.8	-158.4	13.6	0	0	0	109.5	A88 F89 M91 I99 G416 S418	A88-N101 CarbonylContact C-O 3.49Å; A88-N101 WeakPolarHBondContact CA-O 3.38Å; A88-N101 WeakPolarHBondContact CB-O 3.48Å; F89-N101 HydrophobicContact CD2-CB 4.15Å; F89-N101 HydrophobicContact CE1-CB 4.4Å; F89-N101 HydrophobicContact CE2-CB 3.85Å; F89-N101 HydrophobicContact CZ-CB 4Å; F89-N101 VanDerWaalsContact CZ-ND2 3.26Å; F89-N101 WeakPolarHBondContact CZ-ND2 3.43Å; F89-N101 PolarHBondContact N-O 3.07Å; F89-N101 WeakPolarHBondContact O-CB 3.24Å; F89-N101 PolarHBondContact O-N 3.46Å; M91-N101 HydrophobicContact CE-CB 3.84Å; M91-N101 VanDerWaalsContact CE-ND2 3.31Å; M91-N101 WeakPolarHBondContact CE-ND2 3.2Å; M91-N101 HydrophobicContact CG-CB 4.19Å; M91-N101 HydrophobicContact SD-CB 4.33Å; I99-N101 PolarHBondContact O-N 2.65Å; N101-G416 CarbonylContact C-O 3.51Å; N101-G416 WeakPolarHBondContact CA-O 3.37Å; N101-G416 PolarHBondContact OD1-O 3.44Å; N101-S418 VanDerWaalsContact OD1-CB 3.29Å; N101-S418 WeakPolarHBondContact OD1-CB 3.44Å
102	I	98.4	Very high	96.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	140.6	-178.6	68.8	170.1	0	0	0	110.3	A88 L100 Y107 V108 I111 F403 I415 G416 V417 S418	A88-I102 HydrophobicContact CB-CB 4.41Å; A88-I102 HydrophobicContact CB-CG2 3.84Å; L100-I102 HydrophobicContact CD2-CG2 3.96Å; L100-I102 HydrophobicContact CG-CG2 4Å; L100-I102 PolarHBondContact O-N 2.84Å; I102-Y107 HydrophobicContact CB-CD1 4.14Å; I102-Y107 WeakPolarHBondContact CD1-O 3.27Å; I102-Y107 HydrophobicContact CG2-CD1 3.72Å; I102-V108 HydrophobicContact CD1-CG2 4.26Å; I102-V108 HydrophobicContact CG1-CG2 4.39Å; I102-I111 HydrophobicContact CD1-CB 4.24Å; I102-I111 HydrophobicContact CD1-CG1 3.62Å; I102-F403 HydrophobicContact CG2-CZ 4.5Å; I102-I415 HydrophobicContact CD1-CG2 3.96Å; I102-I415 HydrophobicContact CG1-CG2 4.11Å; I102-I415 HydrophobicContact CG2-CG2 3.84Å; I102-G416 WeakPolarHBondContact CG1-O 3.4Å; I102-G416 PolarHBondContact N-O 2.87Å; I102-V417 HydrophobicContact CD1-CG2 4.09Å; I102-V417 HydrophobicContact CG1-CB 4.49Å; I102-V417 HydrophobicContact CG1-CG2 4.22Å; I102-S418 PolarHBondContact O-N 3.46Å
103	H	98.1	Very high	95.7	Very high	5 Å²	5	19.9 Å²	19.9	2%	0.023	11%	0.111	C	C	.	.			trans	-143.1	6.6	-172.8	62.7	80.6	0	0	0	114.7	A82 Y85 Y87 F89 A421 T422 N425	A82-H103 HydrophobicContact CB-CB 4.45Å; A82-H103 PolarHBondContact O-CE1 2.79Å; A82-H103 PolarHBondContact O-NE2 3.17Å; Y85-H103 PolarHBondContact O-CE1 2.84Å; Y85-H103 PolarHBondContact O-NE2 3.03Å; Y87-H103 PolarHBondContact N-CE1 3.34Å; Y87-H103 VanDerWaalsContact N-CE1 3.32Å; Y87-H103 PolarHBondContact O-CD2 3.37Å; Y87-H103 PolarHBondContact O-N 2.64Å; F89-H103 AromaticContact CD1-CD2 3.87Å; F89-H103 AromaticContact CE1-CD2 3.78Å; H103-A421 HydrophobicContact CB-CB 3.65Å; H103-T422 WeakPolarHBondContact CA-OG1 3.45Å; H103-T422 WeakPolarHBondContact O-CA 3.44Å; H103-T422 PolarHBondContact O-OG1 3.36Å; H103-N425 PolarHBondContact O-ND2 3.23Å
104	H	98.2	Very high	94.7	Very high	22 Å²	22	20.6 Å²	20.6	10%	0.102	12%	0.119	C	C	.	.	S	Bend	trans	-105.8	138.4	173.5	-169.6	-95.9	0	0	0	111.5	Y87 D106 Y107 V108 T427	Y87-H104 HydrophobicContact CD1-CB 3.69Å; Y87-H104 AromaticContact CD1-CD2 3.79Å; Y87-H104 AromaticContact CD1-CG 3.55Å; Y87-H104 AromaticContact CD1-ND1 3.96Å; Y87-H104 AromaticContact CE1-CD2 3.94Å; Y87-H104 HydrophobicContact CG-CB 4.46Å; H104-D106 IonicContact CE1-OD2 3.92Å; H104-D106 PolarHBondContact CE1-OD2 3.4Å; H104-D106 VanDerWaalsContact CE1-OD2 3.23Å; H104-D106 PolarHBondContact ND1-N 3.43Å; H104-D106 IonicContact ND1-OD2 2.77Å; H104-D106 PolarHBondContact O-N 2.97Å; H104-D106 VanDerWaalsContact O-N 3.1Å; H104-Y107 WeakPolarHBondContact O-CB 3.31Å; H104-Y107 PolarHBondContact O-N 3.35Å; H104-V108 WeakPolarHBondContact O-CG2 3.27Å; H104-V108 PolarHBondContact O-N 3.17Å; H104-T427 PolarHBondContact CD2-OG1 2.8Å; H104-T427 PolarHBondContact NE2-OG1 3.42Å
105	P	97.4	Very high	93.2	Very high	4 Å²	4	25.7 Å²	25.7	3%	0.026	15%	0.15	C	C	.	.	H	α-helix	trans	-54.8	-34.7	-174.6	-27.6	34.3	0	0	0	114.9	V108 K109 T422 V428 H451 A452	P105-V108 PolarHBondContact O-N 3.4Å; P105-K109 WeakPolarHBondContact O-CB 3.28Å; P105-K109 PolarHBondContact O-N 3.09Å; P105-T422 HydrophobicContact CG-CG2 4.4Å; P105-V428 HydrophobicContact CG-CG1 4.47Å; P105-V428 HydrophobicContact CG-CG2 3.55Å; P105-H451 HydrophobicContact CB-CB 4.44Å; P105-H451 WeakPolarHBondContact O-CB 3.37Å; P105-A452 HydrophobicContact CB-CB 4.31Å; P105-A452 HydrophobicContact CG-CB 3.88Å
106	D	97.1	Very high	91.9	Very high	63 Å²	63	28.7 Å²	28.7	34%	0.337	17%	0.168	S	C	.	.	H	α-helix	trans	-70.1	-36.5	178.8	-66	-37.2	0	0	0	112.7	H104 K109 T110 F404	H104-D106 IonicContact CE1-OD2 3.92Å; H104-D106 PolarHBondContact CE1-OD2 3.4Å; H104-D106 VanDerWaalsContact CE1-OD2 3.23Å; H104-D106 PolarHBondContact ND1-N 3.43Å; H104-D106 IonicContact ND1-OD2 2.77Å; H104-D106 PolarHBondContact O-N 2.97Å; H104-D106 VanDerWaalsContact O-N 3.1Å; D106-K109 PolarHBondContact O-N 3.46Å; D106-T110 PolarHBondContact O-N 3.45Å; D106-T110 VanDerWaalsContact O-N 3.11Å; D106-T110 PolarHBondContact O-OG1 3.16Å; D106-F404 HydrophobicContact CB-CD1 3.6Å; D106-F404 HydrophobicContact CB-CE1 3.81Å; D106-F404 HydrophobicContact CB-CG 4.41Å
107	Y	97.5	Very high	91.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.6	-44.2	170.4	-88.7	-120.6	0	0	0	110.5	F53 Y87 A88 I102 H104 K109 T110 I111 F403 F404 D405 R407	F53-Y107 HydrophobicContact CE1-CE1 4.05Å; Y87-Y107 HydrophobicContact CG-CD2 4.45Å; Y87-Y107 HydrophobicContact CG-CE2 4.01Å; A88-Y107 HydrophobicContact CB-CD1 4.03Å; A88-Y107 HydrophobicContact CB-CE1 3.88Å; I102-Y107 HydrophobicContact CB-CD1 4.14Å; I102-Y107 WeakPolarHBondContact CD1-O 3.27Å; I102-Y107 HydrophobicContact CG2-CD1 3.72Å; H104-Y107 WeakPolarHBondContact O-CB 3.31Å; H104-Y107 PolarHBondContact O-N 3.35Å; Y107-K109 VanDerWaalsContact C-N 3.29Å; Y107-K109 PolarHBondContact O-N 3.14Å; Y107-T110 WeakPolarHBondContact O-CB 3.34Å; Y107-T110 PolarHBondContact O-N 3.08Å; Y107-I111 PolarHBondContact O-N 2.71Å; Y107-F403 HydrophobicContact CD1-CB 4.43Å; Y107-F403 AromaticContact CD1-CD1 3.33Å; Y107-F403 HydrophobicContact CD1-CD1 3.33Å; Y107-F403 HydrophobicContact CD1-CD2 4.01Å; Y107-F403 AromaticContact CD1-CE1 3.32Å; Y107-F403 HydrophobicContact CD1-CE1 3.32Å; Y107-F403 HydrophobicContact CD1-CE2 4Å; Y107-F403 AromaticContact CD1-CG 3.67Å; Y107-F403 HydrophobicContact CD1-CG 3.67Å; Y107-F403 AromaticContact CD1-CZ 3.66Å; Y107-F403 HydrophobicContact CD1-CZ 3.66Å; Y107-F403 HydrophobicContact CD2-CB 4.27Å; Y107-F403 HydrophobicContact CD2-CD1 4.03Å; Y107-F403 HydrophobicContact CD2-CG 4.3Å; Y107-F403 HydrophobicContact CE1-CB 3.83Å; Y107-F403 AromaticContact CE1-CD1 3.47Å; Y107-F403 HydrophobicContact CE1-CD1 3.47Å; Y107-F403 VanDerWaalsContact CE1-CD1 3.47Å; Y107-F403 AromaticContact CE1-CD2 3.33Å; Y107-F403 HydrophobicContact CE1-CD2 3.33Å; Y107-F403 AromaticContact CE1-CE1 3.73Å; Y107-F403 HydrophobicContact CE1-CE1 3.73Å; Y107-F403 AromaticContact CE1-CE2 3.59Å; Y107-F403 HydrophobicContact CE1-CE2 3.59Å; Y107-F403 AromaticContact CE1-CG 3.24Å; Y107-F403 HydrophobicContact CE1-CG 3.24Å; Y107-F403 AromaticContact CE1-CZ 3.77Å; Y107-F403 HydrophobicContact CE1-CZ 3.77Å; Y107-F403 HydrophobicContact CE2-CB 3.65Å; Y107-F403 HydrophobicContact CE2-CD1 4.16Å; Y107-F403 AromaticContact CE2-CG 3.95Å; Y107-F403 HydrophobicContact CE2-CG 3.95Å; Y107-F403 AromaticContact CG-CD1 3.61Å; Y107-F403 HydrophobicContact CG-CD1 3.61Å; Y107-F403 AromaticContact CG-CE1 3.88Å; Y107-F403 HydrophobicContact CG-CE1 3.88Å; Y107-F403 HydrophobicContact CG-CG 4.17Å; Y107-F403 AromaticContact CZ-CD1 3.87Å; Y107-F403 AromaticContact CZ-CD2 3.73Å; Y107-F403 AromaticContact CZ-CG 3.38Å; Y107-F403 WeakPolarHBondContact OH-CB 3.47Å; Y107-F404 AromaticContact CD2-CD1 3.85Å; Y107-F404 HydrophobicContact CD2-CD1 3.85Å; Y107-F404 AromaticContact CD2-CE1 3.63Å; Y107-F404 HydrophobicContact CD2-CE1 3.63Å; Y107-F404 AromaticContact CE2-CD1 3.79Å; Y107-F404 HydrophobicContact CE2-CD1 3.79Å; Y107-F404 AromaticContact CE2-CE1 3.55Å; Y107-F404 HydrophobicContact CE2-CE1 3.55Å; Y107-D405 PolarHBondContact OH-OD1 3.43Å; Y107-D405 PolarHBondContact OH-OD2 3.09Å; Y107-R407 VanDerWaalsContact OH-CZ 3.26Å; Y107-R407 PolarHBondContact OH-NE 3.36Å; Y107-R407 PolarHBondContact OH-NH2 2.83Å
108	V	97.1	Very high	91.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.9	-42.4	178	175.8	0	0	0	0	110.6	I102 H104 P105 I111 L112 V417 T422 H451 V454	I102-V108 HydrophobicContact CD1-CG2 4.26Å; I102-V108 HydrophobicContact CG1-CG2 4.39Å; H104-V108 WeakPolarHBondContact O-CG2 3.27Å; H104-V108 PolarHBondContact O-N 3.17Å; P105-V108 PolarHBondContact O-N 3.4Å; V108-I111 PolarHBondContact O-N 2.89Å; V108-L112 HydrophobicContact CG1-CD1 3.49Å; V108-L112 VanDerWaalsContact CG1-CD1 3.49Å; V108-L112 HydrophobicContact CG1-CG 3.94Å; V108-L112 WeakPolarHBondContact O-CB 3.41Å; V108-L112 WeakPolarHBondContact O-CG 3.36Å; V108-L112 PolarHBondContact O-N 3.49Å; V108-V417 HydrophobicContact CG1-CG1 4Å; V108-V417 HydrophobicContact CG2-CG1 3.92Å; V108-T422 HydrophobicContact CG2-CG2 4.19Å; V108-H451 HydrophobicContact CB-CB 4.37Å; V108-H451 HydrophobicContact CG1-CB 4.14Å; V108-V454 HydrophobicContact CG1-CG2 4.23Å
109	K	95.8	Very high	91.2	Very high	108 Å²	108	28.5 Å²	28.5	47%	0.47	17%	0.165	S	C	.	.	H	α-helix	trans	-58.7	-47.2	174.8	179.4	-178.7	175.6	-173.7	0	111.7	P105 D106 Y107 I111 L112 A113 H451	P105-K109 WeakPolarHBondContact O-CB 3.28Å; P105-K109 PolarHBondContact O-N 3.09Å; D106-K109 PolarHBondContact O-N 3.46Å; Y107-K109 VanDerWaalsContact C-N 3.29Å; Y107-K109 PolarHBondContact O-N 3.14Å; K109-I111 PolarHBondContact O-N 3.29Å; K109-I111 VanDerWaalsContact O-N 3.17Å; K109-L112 PolarHBondContact O-N 3.45Å; K109-A113 HydrophobicContact CG-CB 4.28Å; K109-A113 WeakPolarHBondContact O-CB 3.36Å; K109-A113 PolarHBondContact O-N 2.98Å; K109-H451 HydrophobicContact CB-CB 4.13Å
110	T	94.8	Very high	91	Very high	51 Å²	51	28 Å²	28	31%	0.313	16%	0.163	S	C	.	.	H	α-helix	trans	-54.5	-36.8	178.3	-60.9	0	0	0	0	112.1	D106 Y107 F403	D106-T110 PolarHBondContact O-N 3.45Å; D106-T110 VanDerWaalsContact O-N 3.11Å; D106-T110 PolarHBondContact O-OG1 3.16Å; Y107-T110 WeakPolarHBondContact O-CB 3.34Å; Y107-T110 PolarHBondContact O-N 3.08Å; T110-F403 HydrophobicContact CG2-CD1 4.12Å; T110-F403 HydrophobicContact CG2-CE1 4.24Å
111	I	94.9	Very high	90.7	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.015	18%	0.182	C	C	.	.	H	α-helix	trans	-87.2	-45.2	-178.1	-56.9	-51.9	0	0	0	112.9	I102 Y107 V108 K109 R395 I397 I401 F403 I415 V417	I102-I111 HydrophobicContact CD1-CB 4.24Å; I102-I111 HydrophobicContact CD1-CG1 3.62Å; Y107-I111 PolarHBondContact O-N 2.71Å; V108-I111 PolarHBondContact O-N 2.89Å; K109-I111 PolarHBondContact O-N 3.29Å; K109-I111 VanDerWaalsContact O-N 3.17Å; I111-R395 HydrophobicContact CG2-CB 4.26Å; I111-R395 HydrophobicContact CG2-CG 3.73Å; I111-I397 HydrophobicContact CD1-CG2 4.44Å; I111-I401 HydrophobicContact CD1-CD1 3.54Å; I111-F403 HydrophobicContact CD1-CE1 4.29Å; I111-F403 HydrophobicContact CG1-CE1 4.49Å; I111-I415 HydrophobicContact CD1-CD1 3.5Å; I111-I415 HydrophobicContact CD1-CG2 4.39Å; I111-I415 HydrophobicContact CG1-CD1 4.3Å; I111-I415 HydrophobicContact CG1-CG2 4.07Å; I111-V417 HydrophobicContact CG2-CG2 4.42Å
112	L	93.2	Very high	90.5	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-84.7	-25.3	-172.9	-61.3	-171.6	0	0	0	113.4	V108 K109 S114 I393 V417 V454 A458 G459	V108-L112 HydrophobicContact CG1-CD1 3.49Å; V108-L112 VanDerWaalsContact CG1-CD1 3.49Å; V108-L112 HydrophobicContact CG1-CG 3.94Å; V108-L112 WeakPolarHBondContact O-CB 3.41Å; V108-L112 WeakPolarHBondContact O-CG 3.36Å; V108-L112 PolarHBondContact O-N 3.49Å; K109-L112 PolarHBondContact O-N 3.45Å; L112-S114 VanDerWaalsContact C-N 3.29Å; L112-I393 HydrophobicContact CD2-CD1 4.02Å; L112-V417 HydrophobicContact CD2-CG2 4.21Å; L112-V417 HydrophobicContact CG-CG2 4.49Å; L112-V454 HydrophobicContact CD1-CG2 4.38Å; L112-A458 HydrophobicContact CB-CB 4.13Å; L112-A458 HydrophobicContact CD1-CB 4.16Å; L112-G459 VanDerWaalsContact O-CA 3.31Å; L112-G459 WeakPolarHBondContact O-CA 3.36Å
113	A	86.1	Confident	90.2	Very high	55 Å²	55	32.6 Å²	32.6	46%	0.455	19%	0.189	S	C	.	.	S	Bend	trans	-75.8	-21.4	171.9	0	0	0	0	0	112.1	K109 T115	K109-A113 HydrophobicContact CG-CB 4.28Å; K109-A113 WeakPolarHBondContact O-CB 3.36Å; K109-A113 PolarHBondContact O-N 2.98Å; A113-T115 PolarHBondContact O-N 3.44Å
114	S	75	Confident	90.1	Very high	39 Å²	39	33.3 Å²	33.3	27%	0.273	19%	0.192	S	C	.	.			trans	-65.2	127.7	174.7	-179.6	0	0	0	0	110.2	L112 V116	L112-S114 VanDerWaalsContact C-N 3.29Å; S114-V116 PolarHBondContact O-N 3.21Å
115	T	63.1	Low	90	Very high	108 Å²	108	36.1 Å²	36.1	66%	0.663	20%	0.204	S	C	*	.	S	Bend	trans	-80.5	-3.7	-177.6	51.6	0	0	0	0	114.2	A113 P460	A113-T115 PolarHBondContact O-N 3.44Å; T115-P460 HydrophobicContact CG2-CG 4.1Å
116	V	65.9	Low	89.9	Confident	75 Å²	75	36.1 Å²	36.1	46%	0.455	20%	0.203	S	C	.	.			trans	-114.4	-24	-160.2	-170.3	0	0	0	0	113.2	S114 P118	S114-V116 PolarHBondContact O-N 3.21Å; V116-P118 VanDerWaalsContact O-CD 3.25Å; V116-P118 WeakPolarHBondContact O-CD 3.3Å
117	E	86.1	Confident	89.9	Confident	16 Å²	16	33.6 Å²	33.6	8%	0.075	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-77.2	116.8	-166.8	-50.7	-51.1	161.3	0	0	113.1	R395 I397 T398	E117-R395 HydrophobicContact CB-CB 4.38Å; E117-R395 PolarHBondContact O-NH1 2.91Å; E117-I397 HydrophobicContact CG-CG2 4.34Å; E117-I397 VanDerWaalsContact OE2-CA 3.32Å; E117-I397 WeakPolarHBondContact OE2-CA 3.39Å; E117-T398 WeakPolarHBondContact OE2-CB 3.33Å; E117-T398 PolarHBondContact OE2-N 3Å; E117-T398 PolarHBondContact OE2-OG1 3.47Å
118	P	89.7	Confident	89.8	Confident	12 Å²	12	37.4 Å²	37.4	8%	0.078	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-68.7	165.1	178.3	31	-35.5	0	0	0	110.8	V116 K139 R395 Q396 T398	V116-P118 VanDerWaalsContact O-CD 3.25Å; V116-P118 WeakPolarHBondContact O-CD 3.3Å; P118-K139 HydrophobicContact CB-CD 3.86Å; P118-K139 HydrophobicContact CB-CG 3.97Å; P118-R395 WeakPolarHBondContact O-CA 3.35Å; P118-R395 WeakPolarHBondContact O-CD 3.3Å; P118-Q396 WeakPolarHBondContact CD-O 3.28Å; P118-Q396 PolarHBondContact O-N 2.93Å; P118-T398 HydrophobicContact CG-CG2 4Å
119	K	92.5	Very high	89.6	Confident	12 Å²	12	39.5 Å²	39.5	5%	0.052	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-57.9	145.4	162.2	-61.2	-56.5	-168	168.1	0	109.4	Y124 L136	K119-Y124 HydrophobicContact CB-CD1 4.16Å; K119-Y124 HydrophobicContact CB-CD2 3.64Å; K119-Y124 HydrophobicContact CB-CE1 4.48Å; K119-Y124 HydrophobicContact CB-CE2 3.99Å; K119-Y124 HydrophobicContact CB-CG 3.73Å; K119-Y124 HydrophobicContact CD-CD1 4.38Å; K119-Y124 HydrophobicContact CD-CD2 4.23Å; K119-Y124 HydrophobicContact CD-CE1 3.86Å; K119-Y124 HydrophobicContact CD-CE2 3.67Å; K119-Y124 VanDerWaalsContact CD-CZ 3.47Å; K119-Y124 HydrophobicContact CG-CD1 4.13Å; K119-Y124 HydrophobicContact CG-CD2 4.24Å; K119-Y124 HydrophobicContact CG-CE1 4.09Å; K119-Y124 HydrophobicContact CG-CE2 4.18Å; K119-Y124 HydrophobicContact CG-CG 4.21Å; K119-Y124 PolarHBondContact NZ-OH 3.06Å; K119-L136 WeakPolarHBondContact CG-O 3Å
120	D	92.6	Very high	89.7	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.011	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-66.5	155.8	179.7	67.6	100.6	0	0	0	113.1	F122 A123 Y124 S394 Q396	D120-F122 VanDerWaalsContact C-N 3.27Å; D120-F122 PolarHBondContact O-N 3.07Å; D120-F122 WeakPolarHBondContact OD1-CA 3.48Å; D120-F122 WeakPolarHBondContact OD1-CB 3.35Å; D120-F122 PolarHBondContact OD1-N 3.43Å; D120-A123 PolarHBondContact OD1-N 2.7Å; D120-Y124 WeakPolarHBondContact O-CB 3.46Å; D120-Y124 WeakPolarHBondContact OD2-CD2 3.28Å; D120-S394 WeakPolarHBondContact OD2-CB 3.25Å; D120-S394 PolarHBondContact OD2-OG 3.31Å; D120-Q396 HydrophobicContact CB-CB 4.04Å
121	D	92.3	Very high	89.7	Confident	75 Å²	75	32.1 Å²	32.1	40%	0.401	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	8	179.5	62.9	-2.3	0	0	0	114.2	K125 Q396 H414	D121-K125 WeakPolarHBondContact O-CB 3.4Å; D121-Q396 PolarHBondContact OD1-NE2 2.9Å; D121-Q396 PolarHBondContact OD2-NE2 3.47Å; D121-Q396 VanDerWaalsContact OD2-NE2 3.1Å; D121-Q396 PolarHBondContact OD2-OE1 2.98Å; D121-H414 IonicContact OD1-CD2 3.68Å; D121-H414 IonicContact OD1-CE1 2.69Å; D121-H414 PolarHBondContact OD1-CE1 3.16Å; D121-H414 IonicContact OD1-NE2 3.72Å; D121-H414 PolarHBondContact OD1-NE2 3.04Å
122	F	93.6	Very high	89.8	Confident	11 Å²	11	33.1 Å²	33.1	5%	0.048	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-71.2	-177.4	171.6	-118.6	0	0	0	111.7	F93 I97 I99 D120 F126 V236 H242	F93-F122 HydrophobicContact CB-CE1 4.18Å; F93-F122 HydrophobicContact CB-CZ 4.1Å; F93-F122 HydrophobicContact CG-CE1 4.26Å; I97-F122 HydrophobicContact CD1-CD2 4.21Å; I97-F122 HydrophobicContact CG1-CD2 4.2Å; I97-F122 HydrophobicContact CG1-CE2 4.11Å; I97-F122 HydrophobicContact CG1-CZ 4.47Å; I97-F122 HydrophobicContact CG2-CD1 3.69Å; I97-F122 HydrophobicContact CG2-CD2 4.29Å; I97-F122 HydrophobicContact CG2-CE1 3.71Å; I97-F122 HydrophobicContact CG2-CE2 4.32Å; I97-F122 HydrophobicContact CG2-CG 3.98Å; I97-F122 HydrophobicContact CG2-CZ 4.04Å; I99-F122 HydrophobicContact CD1-CD1 4.26Å; I99-F122 HydrophobicContact CD1-CE1 4.49Å; D120-F122 VanDerWaalsContact C-N 3.27Å; D120-F122 PolarHBondContact O-N 3.07Å; D120-F122 WeakPolarHBondContact OD1-CA 3.48Å; D120-F122 WeakPolarHBondContact OD1-CB 3.35Å; D120-F122 PolarHBondContact OD1-N 3.43Å; F122-F126 HydrophobicContact CD2-CE2 4.09Å; F122-F126 AromaticContact CD2-CZ 3.97Å; F122-F126 HydrophobicContact CD2-CZ 3.97Å; F122-F126 AromaticContact CE2-CE2 3.72Å; F122-F126 HydrophobicContact CE2-CE2 3.72Å; F122-F126 AromaticContact CE2-CZ 3.76Å; F122-F126 HydrophobicContact CE2-CZ 3.76Å; F122-F126 HydrophobicContact CZ-CE2 4.2Å; F122-V236 HydrophobicContact CE1-CG1 3.98Å; F122-V236 HydrophobicContact CZ-CG1 4.2Å; F122-H242 AromaticContact CE2-CD2 3.64Å; F122-H242 AromaticContact CE2-CE1 3.42Å; F122-H242 VanDerWaalsContact CE2-CE1 3.42Å; F122-H242 WeakPolarHBondContact CE2-CE1 3.45Å; F122-H242 AromaticContact CE2-CG 3.72Å; F122-H242 AromaticContact CE2-ND1 3.6Å; F122-H242 AromaticContact CE2-NE2 3.47Å; F122-H242 WeakPolarHBondContact CE2-NE2 3.44Å; F122-H242 AromaticContact CZ-CD2 4Å; F122-H242 AromaticContact CZ-CE1 3.44Å; F122-H242 VanDerWaalsContact CZ-CE1 3.44Å; F122-H242 WeakPolarHBondContact CZ-CE1 3.46Å; F122-H242 AromaticContact CZ-NE2 3.38Å; F122-H242 WeakPolarHBondContact CZ-NE2 3.41Å
123	A	93	Very high	89.9	Confident	19 Å²	19	35.6 Å²	35.6	16%	0.157	21%	0.211	C	C	.	.	H	α-helix	trans	-69.6	-44.5	-178.1	0	0	0	0	0	111.3	D120 K125 F126	D120-A123 PolarHBondContact OD1-N 2.7Å; A123-K125 VanDerWaalsContact C-N 3.33Å; A123-K125 PolarHBondContact O-N 2.94Å; A123-F126 PolarHBondContact O-N 2.75Å
124	Y	96.1	Very high	90.4	Very high	20 Å²	20	33 Å²	33	8%	0.078	19%	0.189	C	C	.	.	H	α-helix	trans	-72.3	-24.4	-177.6	-72.9	-90	0	0	0	113.4	K119 D120 F126 I127 E128 L136 V137 S394	K119-Y124 HydrophobicContact CB-CD1 4.16Å; K119-Y124 HydrophobicContact CB-CD2 3.64Å; K119-Y124 HydrophobicContact CB-CE1 4.48Å; K119-Y124 HydrophobicContact CB-CE2 3.99Å; K119-Y124 HydrophobicContact CB-CG 3.73Å; K119-Y124 HydrophobicContact CD-CD1 4.38Å; K119-Y124 HydrophobicContact CD-CD2 4.23Å; K119-Y124 HydrophobicContact CD-CE1 3.86Å; K119-Y124 HydrophobicContact CD-CE2 3.67Å; K119-Y124 VanDerWaalsContact CD-CZ 3.47Å; K119-Y124 HydrophobicContact CG-CD1 4.13Å; K119-Y124 HydrophobicContact CG-CD2 4.24Å; K119-Y124 HydrophobicContact CG-CE1 4.09Å; K119-Y124 HydrophobicContact CG-CE2 4.18Å; K119-Y124 HydrophobicContact CG-CG 4.21Å; K119-Y124 PolarHBondContact NZ-OH 3.06Å; D120-Y124 WeakPolarHBondContact O-CB 3.46Å; D120-Y124 WeakPolarHBondContact OD2-CD2 3.28Å; Y124-F126 PolarHBondContact O-N 3.02Å; Y124-I127 HydrophobicContact CD1-CD1 4.05Å; Y124-I127 HydrophobicContact CE1-CD1 4.35Å; Y124-I127 PolarHBondContact O-N 3.04Å; Y124-I127 VanDerWaalsContact O-N 3.1Å; Y124-E128 WeakPolarHBondContact O-CB 3.38Å; Y124-E128 PolarHBondContact O-N 3.46Å; Y124-L136 HydrophobicContact CD1-CD2 4.38Å; Y124-L136 HydrophobicContact CD1-CG 4.14Å; Y124-L136 HydrophobicContact CE1-CD1 3.75Å; Y124-L136 HydrophobicContact CE1-CD2 4.12Å; Y124-L136 HydrophobicContact CE1-CG 3.84Å; Y124-V137 HydrophobicContact CD1-CG1 4.01Å; Y124-S394 WeakPolarHBondContact CE2-O 3.24Å
125	K	95.6	Very high	91.4	Very high	81 Å²	81	31.5 Å²	31.5	35%	0.352	18%	0.178	S	C	.	.	H	α-helix	trans	-58.1	-38	171.6	178.9	-177	174	-172	0	111.7	D121 A123 I127 S129 D244	D121-K125 WeakPolarHBondContact O-CB 3.4Å; A123-K125 VanDerWaalsContact C-N 3.33Å; A123-K125 PolarHBondContact O-N 2.94Å; K125-I127 VanDerWaalsContact C-N 3.32Å; K125-S129 PolarHBondContact O-N 2.78Å; K125-S129 PolarHBondContact O-OG 2.92Å; K125-S129 VanDerWaalsContact O-OG 3.06Å; K125-D244 WeakPolarHBondContact CE-OD2 3.21Å; K125-D244 IonicContact NZ-OD1 2.76Å; K125-D244 IonicContact NZ-OD2 2.71Å; K125-D244 PolarHBondContact NZ-OD2 2.92Å
126	F	96	Very high	92.9	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.018	15%	0.154	C	C	.	.	H	α-helix	trans	-73.3	-28.7	179.2	-53.2	-27.3	0	0	0	112.2	F122 A123 Y124 I232 R235 V236 H242	F122-F126 HydrophobicContact CD2-CE2 4.09Å; F122-F126 AromaticContact CD2-CZ 3.97Å; F122-F126 HydrophobicContact CD2-CZ 3.97Å; F122-F126 AromaticContact CE2-CE2 3.72Å; F122-F126 HydrophobicContact CE2-CE2 3.72Å; F122-F126 AromaticContact CE2-CZ 3.76Å; F122-F126 HydrophobicContact CE2-CZ 3.76Å; F122-F126 HydrophobicContact CZ-CE2 4.2Å; A123-F126 PolarHBondContact O-N 2.75Å; Y124-F126 PolarHBondContact O-N 3.02Å; F126-I232 HydrophobicContact CB-CG2 4.07Å; F126-R235 HydrophobicContact CD1-CG 4.22Å; F126-R235 VanDerWaalsContact CD1-NH1 3.33Å; F126-R235 HydrophobicContact CD2-CB 4.3Å; F126-R235 HydrophobicContact CD2-CG 3.83Å; F126-R235 HydrophobicContact CE1-CG 4.26Å; F126-R235 VanDerWaalsContact CE1-CZ 3.43Å; F126-R235 HydrophobicContact CE2-CG 3.89Å; F126-R235 HydrophobicContact CG-CG 4.01Å; F126-R235 HydrophobicContact CZ-CG 4.11Å; F126-V236 HydrophobicContact CD2-CG2 3.77Å; F126-V236 HydrophobicContact CE2-CG2 4.03Å; F126-H242 HydrophobicContact CZ-CB 4.38Å
127	I	96.4	Very high	94.3	Very high	11 Å²	11	24.5 Å²	24.5	6%	0.056	13%	0.134	C	C	.	.	H	α-helix	trans	-76.2	-42.4	175.1	-57.5	173.1	0	0	0	110.4	Y124 K125 S129 W130 I131 L136 V137 I232 L500	Y124-I127 HydrophobicContact CD1-CD1 4.05Å; Y124-I127 HydrophobicContact CE1-CD1 4.35Å; Y124-I127 PolarHBondContact O-N 3.04Å; Y124-I127 VanDerWaalsContact O-N 3.1Å; K125-I127 VanDerWaalsContact C-N 3.32Å; I127-S129 PolarHBondContact O-N 3.36Å; I127-W130 WeakPolarHBondContact O-CA 3.45Å; I127-W130 WeakPolarHBondContact O-CB 3.31Å; I127-W130 PolarHBondContact O-N 3.11Å; I127-I131 HydrophobicContact CG2-CD1 3.56Å; I127-I131 HydrophobicContact CG2-CG1 3.95Å; I127-I131 PolarHBondContact O-N 3.01Å; I127-L136 HydrophobicContact CG2-CD2 4.11Å; I127-V137 HydrophobicContact CG2-CG1 4.5Å; I127-I232 HydrophobicContact CG1-CD1 4.43Å; I127-I232 HydrophobicContact CG1-CG2 4.16Å; I127-L500 HydrophobicContact CD1-CD1 4.4Å; I127-L500 HydrophobicContact CD1-CD2 3.98Å; I127-L500 HydrophobicContact CG1-CD1 4.3Å; I127-L500 HydrophobicContact CG1-CD2 4.34Å
128	E	96.4	Very high	94.7	Very high	79 Å²	79	23.8 Å²	23.8	37%	0.369	13%	0.13	S	C	.	.	H	α-helix	trans	-56	-33.8	175.9	-179.5	177.6	-165.8	0	0	112	Y124 W130 G132 V137	Y124-E128 WeakPolarHBondContact O-CB 3.38Å; Y124-E128 PolarHBondContact O-N 3.46Å; E128-W130 PolarHBondContact O-N 3.01Å; E128-W130 VanDerWaalsContact O-N 3.07Å; E128-G132 VanDerWaalsContact O-CA 3.25Å; E128-G132 WeakPolarHBondContact O-CA 3.42Å; E128-G132 PolarHBondContact O-N 3.25Å; E128-V137 HydrophobicContact CB-CB 4.36Å; E128-V137 HydrophobicContact CB-CG1 4.21Å; E128-V137 HydrophobicContact CB-CG2 4.19Å; E128-V137 HydrophobicContact CG-CG2 4.18Å
129	S	93.5	Very high	94.8	Very high	45 Å²	45	26.7 Å²	26.7	32%	0.315	14%	0.142	S	C	.	.	H	α-helix	trans	-64.8	-8.8	174.5	-57	0	0	0	0	114	K125 I127 Y256	K125-S129 PolarHBondContact O-N 2.78Å; K125-S129 PolarHBondContact O-OG 2.92Å; K125-S129 VanDerWaalsContact O-OG 3.06Å; I127-S129 PolarHBondContact O-N 3.36Å; S129-Y256 WeakPolarHBondContact CB-OH 3.4Å; S129-Y256 PolarHBondContact O-OH 3.23Å
130	W	96.1	Very high	94.7	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.011	17%	0.17	C	C	.	.	H	α-helix	trans	-112.2	-56.9	174.9	164.7	26.8	0	0	0	110.9	I127 E128 G132 V225 L228 T229 I232 Y256 Y260 F324	I127-W130 WeakPolarHBondContact O-CA 3.45Å; I127-W130 WeakPolarHBondContact O-CB 3.31Å; I127-W130 PolarHBondContact O-N 3.11Å; E128-W130 PolarHBondContact O-N 3.01Å; E128-W130 VanDerWaalsContact O-N 3.07Å; W130-G132 VanDerWaalsContact C-N 3.32Å; W130-G132 PolarHBondContact O-N 3.24Å; W130-V225 HydrophobicContact CH2-CB 4.42Å; W130-V225 HydrophobicContact CH2-CG1 4.01Å; W130-V225 HydrophobicContact CH2-CG2 4.26Å; W130-V225 HydrophobicContact CZ2-CG2 3.95Å; W130-L228 HydrophobicContact CD2-CB 4.14Å; W130-L228 HydrophobicContact CD2-CD1 3.77Å; W130-L228 HydrophobicContact CD2-CG 4.42Å; W130-L228 VanDerWaalsContact CE2-CD1 3.5Å; W130-L228 HydrophobicContact CE3-CB 4.06Å; W130-L228 HydrophobicContact CE3-CD1 4.5Å; W130-L228 HydrophobicContact CG-CD1 3.92Å; W130-L228 HydrophobicContact CG-CD2 4.49Å; W130-L228 HydrophobicContact CZ2-CD1 4.01Å; W130-L228 HydrophobicContact CZ3-CB 4.26Å; W130-T229 HydrophobicContact CH2-CG2 4.39Å; W130-T229 HydrophobicContact CZ3-CG2 4.09Å; W130-I232 HydrophobicContact CE3-CD1 3.89Å; W130-Y256 WeakPolarHBondContact CA-OH 3.41Å; W130-Y256 VanDerWaalsContact CB-OH 3.29Å; W130-Y256 WeakPolarHBondContact CB-OH 3.14Å; W130-Y256 PolarHBondContact N-OH 2.79Å; W130-Y256 VanDerWaalsContact N-OH 3.17Å; W130-Y260 WeakPolarHBondContact O-CE2 3.26Å; W130-F324 HydrophobicContact CH2-CB 3.86Å; W130-F324 HydrophobicContact CH2-CD1 4Å; W130-F324 AromaticContact CH2-CD2 3.33Å; W130-F324 HydrophobicContact CH2-CD2 3.33Å; W130-F324 HydrophobicContact CH2-CE1 4.41Å; W130-F324 AromaticContact CH2-CE2 3.78Å; W130-F324 HydrophobicContact CH2-CE2 3.78Å; W130-F324 AromaticContact CH2-CG 3.43Å; W130-F324 HydrophobicContact CH2-CG 3.43Å; W130-F324 VanDerWaalsContact CH2-CG 3.43Å; W130-F324 HydrophobicContact CH2-CZ 4.31Å; W130-F324 HydrophobicContact CZ2-CB 4Å; W130-F324 HydrophobicContact CZ2-CD2 4.23Å; W130-F324 HydrophobicContact CZ2-CG 4.1Å; W130-F324 HydrophobicContact CZ3-CD1 4.02Å; W130-F324 AromaticContact CZ3-CD2 3.94Å; W130-F324 HydrophobicContact CZ3-CD2 3.94Å; W130-F324 HydrophobicContact CZ3-CE1 4.1Å; W130-F324 HydrophobicContact CZ3-CE2 4Å; W130-F324 AromaticContact CZ3-CG 3.94Å; W130-F324 HydrophobicContact CZ3-CG 3.94Å; W130-F324 HydrophobicContact CZ3-CZ 4.09Å
131	I	96.7	Very high	94.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-90	2.8	-171.8	68.6	178.8	0	0	0	113.6	I127 L136 V137 A317 D320 T321 F324	I127-I131 HydrophobicContact CG2-CD1 3.56Å; I127-I131 HydrophobicContact CG2-CG1 3.95Å; I127-I131 PolarHBondContact O-N 3.01Å; I131-L136 HydrophobicContact CD1-CB 4.05Å; I131-L136 HydrophobicContact CD1-CD2 3.78Å; I131-L136 HydrophobicContact CD1-CG 4.45Å; I131-V137 HydrophobicContact CD1-CG1 4.35Å; I131-A317 CarbonylContact O-C 3.44Å; I131-A317 VanDerWaalsContact O-CA 3.24Å; I131-A317 WeakPolarHBondContact O-CA 3.38Å; I131-D320 HydrophobicContact CB-CB 4.14Å; I131-D320 HydrophobicContact CG2-CB 4.49Å; I131-T321 HydrophobicContact CD1-CG2 4.25Å; I131-F324 HydrophobicContact CG2-CD1 4.41Å
132	G	96.4	Very high	94.6	Very high	25 Å²	25	38 Å²	38	26%	0.258	20%	0.195	S	C	.	.			trans	67.1	-171.8	-173.5	0	0	0	0	0	113	E128 W130 G134 V137	E128-G132 VanDerWaalsContact O-CA 3.25Å; E128-G132 WeakPolarHBondContact O-CA 3.42Å; E128-G132 PolarHBondContact O-N 3.25Å; W130-G132 VanDerWaalsContact C-N 3.32Å; W130-G132 PolarHBondContact O-N 3.24Å; G132-G134 PolarHBondContact O-N 2.7Å; G132-V137 WeakPolarHBondContact O-CG2 3.34Å
133	N	95.9	Very high	94.7	Very high	56 Å²	56	38.8 Å²	38.8	30%	0.299	20%	0.198	S	C	.	.	S	Bend	trans	-86.6	56.8	-177.6	-171.4	3.4	0	0	0	112.3	S138 K142	N133-S138 WeakPolarHBondContact OD1-CA 3.22Å; N133-S138 VanDerWaalsContact OD1-CB 3.32Å; N133-S138 WeakPolarHBondContact OD1-CB 3.48Å; N133-K142 PolarHBondContact ND2-NZ 3.22Å; N133-K142 WeakPolarHBondContact O-CE 3.48Å; N133-K142 PolarHBondContact O-NZ 2.87Å
134	G	95.3	Very high	94.6	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.			trans	-87.3	-168.5	178.7	0	0	0	0	0	114.2	G132 L136 V137 S138 E318	G132-G134 PolarHBondContact O-N 2.7Å; G134-L136 VanDerWaalsContact C-N 3.28Å; G134-L136 PolarHBondContact O-N 2.73Å; G134-V137 PolarHBondContact O-N 3.19Å; G134-S138 WeakPolarHBondContact O-CB 3.28Å; G134-S138 PolarHBondContact O-N 3.17Å; G134-S138 PolarHBondContact O-OG 3.03Å; G134-E318 WeakPolarHBondContact CA-OE1 3.39Å
135	L	95.8	Very high	94.5	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.042	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-34.2	-169.6	-170.8	70	0	0	0	114	H146 R147 L150 E318 F322 I464	L135-H146 HydrophobicContact CD1-CB 3.99Å; L135-R147 HydrophobicContact CD1-CB 3.85Å; L135-L150 HydrophobicContact CB-CD1 4.46Å; L135-L150 HydrophobicContact CD2-CD1 4.27Å; L135-E318 VanDerWaalsContact CB-OE2 3.31Å; L135-E318 WeakPolarHBondContact CB-OE2 3.47Å; L135-E318 VanDerWaalsContact N-CD 3.29Å; L135-E318 PolarHBondContact N-OE1 2.73Å; L135-E318 PolarHBondContact N-OE2 2.79Å; L135-F322 HydrophobicContact CB-CE2 4.01Å; L135-F322 HydrophobicContact CB-CZ 4.5Å; L135-F322 HydrophobicContact CD2-CE2 4Å; L135-F322 HydrophobicContact CD2-CZ 3.63Å; L135-I464 HydrophobicContact CD2-CB 4.39Å; L135-I464 HydrophobicContact CD2-CD1 3.89Å; L135-I464 HydrophobicContact CD2-CG2 4.02Å
136	L	96.1	Very high	94.4	Very high	30 Å²	30	41.3 Å²	41.3	16%	0.157	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-49.7	179.8	-178.6	54.2	0	0	0	111.9	K119 Y124 I127 I131 G134 T321 E325 R461	K119-L136 WeakPolarHBondContact CG-O 3Å; Y124-L136 HydrophobicContact CD1-CD2 4.38Å; Y124-L136 HydrophobicContact CD1-CG 4.14Å; Y124-L136 HydrophobicContact CE1-CD1 3.75Å; Y124-L136 HydrophobicContact CE1-CD2 4.12Å; Y124-L136 HydrophobicContact CE1-CG 3.84Å; I127-L136 HydrophobicContact CG2-CD2 4.11Å; I131-L136 HydrophobicContact CD1-CB 4.05Å; I131-L136 HydrophobicContact CD1-CD2 3.78Å; I131-L136 HydrophobicContact CD1-CG 4.45Å; G134-L136 VanDerWaalsContact C-N 3.28Å; G134-L136 PolarHBondContact O-N 2.73Å; L136-T321 HydrophobicContact CB-CG2 3.96Å; L136-E325 WeakPolarHBondContact CB-OE1 3.23Å; L136-E325 WeakPolarHBondContact CD1-OE1 3.29Å; L136-E325 VanDerWaalsContact CD2-OE1 3.25Å; L136-E325 WeakPolarHBondContact CD2-OE1 3.36Å; L136-E325 VanDerWaalsContact CG-OE1 3.3Å; L136-E325 WeakPolarHBondContact CG-OE1 3.49Å; L136-R461 PolarHBondContact O-NH2 3.4Å
137	V	95.3	Very high	94.3	Very high	6 Å²	6	43.1 Å²	43.1	4%	0.036	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-26.5	-167	-62.4	0	0	0	0	113.1	Y124 I127 E128 I131 G132 G134	Y124-V137 HydrophobicContact CD1-CG1 4.01Å; I127-V137 HydrophobicContact CG2-CG1 4.5Å; E128-V137 HydrophobicContact CB-CB 4.36Å; E128-V137 HydrophobicContact CB-CG1 4.21Å; E128-V137 HydrophobicContact CB-CG2 4.19Å; E128-V137 HydrophobicContact CG-CG2 4.18Å; I131-V137 HydrophobicContact CD1-CG1 4.35Å; G132-V137 WeakPolarHBondContact O-CG2 3.34Å; G134-V137 PolarHBondContact O-N 3.19Å
138	S	94.4	Very high	94.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.226	C	C	.	.			trans	-57.1	153.8	-178	56.5	0	0	0	0	112.3	N133 G134 W143 R461	N133-S138 WeakPolarHBondContact OD1-CA 3.22Å; N133-S138 VanDerWaalsContact OD1-CB 3.32Å; N133-S138 WeakPolarHBondContact OD1-CB 3.48Å; G134-S138 WeakPolarHBondContact O-CB 3.28Å; G134-S138 PolarHBondContact O-N 3.17Å; G134-S138 PolarHBondContact O-OG 3.03Å; S138-W143 WeakPolarHBondContact OG-CA 3.42Å; S138-R461 PolarHBondContact O-NH1 3.3Å; S138-R461 VanDerWaalsContact O-NH1 3.07Å; S138-R461 PolarHBondContact O-NH2 3Å
139	K	91.8	Very high	93.8	Very high	74 Å²	74	44.5 Å²	44.5	32%	0.322	21%	0.213	S	C	.	.			trans	-122.8	160.8	-174.4	-57.7	-177.7	-177.1	-177.1	0	110.8	P118 Q141 K142 W143	P118-K139 HydrophobicContact CB-CD 3.86Å; P118-K139 HydrophobicContact CB-CG 3.97Å; K139-Q141 PolarHBondContact O-N 3.46Å; K139-K142 PolarHBondContact O-N 2.93Å; K139-W143 PolarHBondContact O-N 3.19Å; K139-W143 VanDerWaalsContact O-N 3.13Å
140	D	89.4	Confident	93.7	Very high	118 Å²	118	42.5 Å²	42.5	63%	0.631	20%	0.199	S	C	*	.	H	α-helix	trans	50.6	-131.8	167.4	-47.1	-45.4	0	0	0	114	K142 W143 F144	D140-K142 VanDerWaalsContact C-N 3.33Å; D140-K142 PolarHBondContact O-N 3.47Å; D140-W143 PolarHBondContact O-N 3.3Å; D140-F144 PolarHBondContact O-N 2.92Å
141	Q	91.4	Very high	93.6	Very high	149 Å²	149	45.4 Å²	45.4	70%	0.696	22%	0.218	S	C	*	.	H	α-helix	trans	-63	-35.7	-176.1	-68.7	-62.7	-17.8	0	0	113.1	K139 F144 R145	K139-Q141 PolarHBondContact O-N 3.46Å; Q141-F144 PolarHBondContact O-N 2.93Å; Q141-R145 VanDerWaalsContact O-CB 3.3Å; Q141-R145 WeakPolarHBondContact O-CB 3.38Å; Q141-R145 PolarHBondContact O-N 3.41Å
142	K	92.7	Very high	93.3	Very high	59 Å²	59	48.8 Å²	48.8	26%	0.257	24%	0.239	S	C	.	.	H	α-helix	trans	-62.1	-49.6	176.8	-177	178	-175.1	-174.9	0	110.2	N133 K139 D140 F144 R145 H146 D314	N133-K142 PolarHBondContact ND2-NZ 3.22Å; N133-K142 WeakPolarHBondContact O-CE 3.48Å; N133-K142 PolarHBondContact O-NZ 2.87Å; K139-K142 PolarHBondContact O-N 2.93Å; D140-K142 VanDerWaalsContact C-N 3.33Å; D140-K142 PolarHBondContact O-N 3.47Å; K142-F144 PolarHBondContact O-N 2.92Å; K142-R145 PolarHBondContact O-N 2.97Å; K142-H146 VanDerWaalsContact CE-CE1 3.46Å; K142-H146 WeakPolarHBondContact CE-CE1 3.46Å; K142-H146 PolarHBondContact O-CD2 2.76Å; K142-H146 PolarHBondContact O-N 2.79Å; K142-D314 WeakPolarHBondContact CE-OD1 3.27Å; K142-D314 IonicContact NZ-OD1 2.71Å; K142-D314 PolarHBondContact NZ-OD1 3.47Å
143	W	94.3	Very high	92.9	Very high	28 Å²	28	47.7 Å²	47.7	11%	0.106	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-46.8	176.5	169	75.9	0	0	0	111.7	S138 K139 D140 R145 H146 R147 P460 R461	S138-W143 WeakPolarHBondContact OG-CA 3.42Å; K139-W143 PolarHBondContact O-N 3.19Å; K139-W143 VanDerWaalsContact O-N 3.13Å; D140-W143 PolarHBondContact O-N 3.3Å; W143-R145 PolarHBondContact O-N 3.07Å; W143-H146 PolarHBondContact O-N 3.46Å; W143-R147 HydrophobicContact CH2-CG 4.39Å; W143-R147 HydrophobicContact CZ2-CB 3.96Å; W143-R147 HydrophobicContact CZ2-CG 3.81Å; W143-R147 VanDerWaalsContact O-CB 3.26Å; W143-R147 WeakPolarHBondContact O-CB 3.27Å; W143-R147 PolarHBondContact O-N 2.98Å; W143-P460 HydrophobicContact CH2-CB 3.83Å; W143-P460 WeakPolarHBondContact CZ2-O 3.49Å; W143-R461 VanDerWaalsContact CZ2-CD 3.4Å; W143-R461 HydrophobicContact CZ2-CG 4.46Å
144	F	92.3	Very high	92.8	Very high	108 Å²	108	46.4 Å²	46.4	47%	0.474	22%	0.22	S	C	.	.	H	α-helix	trans	-61.3	-45	-179.2	-177.5	-97.9	0	0	0	111.7	D140 Q141 K142 R147 R148	D140-F144 PolarHBondContact O-N 2.92Å; Q141-F144 PolarHBondContact O-N 2.93Å; K142-F144 PolarHBondContact O-N 2.92Å; F144-R147 PolarHBondContact O-N 3.14Å; F144-R148 WeakPolarHBondContact O-CB 3.3Å; F144-R148 PolarHBondContact O-N 2.73Å
145	R	92.8	Very high	92.6	Very high	64 Å²	64	49.3 Å²	49.3	24%	0.242	23%	0.233	C	C	.	.	H	α-helix	trans	-57.3	-52.6	175.4	180	-177	178.6	-134	-0.4	111.1	Q141 K142 W143 R148 L149 D304 G309	Q141-R145 VanDerWaalsContact O-CB 3.3Å; Q141-R145 WeakPolarHBondContact O-CB 3.38Å; Q141-R145 PolarHBondContact O-N 3.41Å; K142-R145 PolarHBondContact O-N 2.97Å; W143-R145 PolarHBondContact O-N 3.07Å; R145-R148 PolarHBondContact O-N 3.36Å; R145-L149 HydrophobicContact CG-CD1 4.11Å; R145-L149 WeakPolarHBondContact O-CG 3.46Å; R145-L149 PolarHBondContact O-N 2.86Å; R145-D304 IonicContact CZ-OD2 3.13Å; R145-D304 IonicContact NE-OD2 2.69Å; R145-D304 PolarHBondContact NE-OD2 2.95Å; R145-D304 IonicContact NH2-OD2 2.75Å; R145-D304 PolarHBondContact NH2-OD2 3.47Å; R145-G309 PolarHBondContact NH2-O 2.94Å; R145-G309 VanDerWaalsContact NH2-O 3.11Å
146	H	93.6	Very high	92.4	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-42.9	-178.9	-71.5	-148.1	0	0	0	111.2	L135 K142 W143 R148 L149 L150 D314 E318	L135-H146 HydrophobicContact CD1-CB 3.99Å; K142-H146 VanDerWaalsContact CE-CE1 3.46Å; K142-H146 WeakPolarHBondContact CE-CE1 3.46Å; K142-H146 PolarHBondContact O-CD2 2.76Å; K142-H146 PolarHBondContact O-N 2.79Å; W143-H146 PolarHBondContact O-N 3.46Å; H146-R148 VanDerWaalsContact C-N 3.3Å; H146-R148 PolarHBondContact O-N 2.94Å; H146-L149 PolarHBondContact O-N 3.44Å; H146-L150 WeakPolarHBondContact O-CB 3.45Å; H146-L150 VanDerWaalsContact O-CG 3.23Å; H146-L150 WeakPolarHBondContact O-CG 3.35Å; H146-L150 PolarHBondContact O-N 3.01Å; H146-D314 IonicContact CE1-OD1 3.88Å; H146-E318 IonicContact CE1-OE1 3.33Å; H146-E318 IonicContact CG-OE1 3.98Å; H146-E318 IonicContact ND1-OE1 3.03Å; H146-E318 PolarHBondContact ND1-OE1 2.57Å
147	R	93.6	Very high	92.2	Very high	42 Å²	42	55.3 Å²	55.3	16%	0.158	26%	0.258	C	S	.	.	H	α-helix	trans	-57.8	-44.4	176.2	-176.5	58	-178.5	-120.6	-4.2	111.2	L135 W143 F144 L150 T151 N462	L135-R147 HydrophobicContact CD1-CB 3.85Å; W143-R147 HydrophobicContact CH2-CG 4.39Å; W143-R147 HydrophobicContact CZ2-CB 3.96Å; W143-R147 HydrophobicContact CZ2-CG 3.81Å; W143-R147 VanDerWaalsContact O-CB 3.26Å; W143-R147 WeakPolarHBondContact O-CB 3.27Å; W143-R147 PolarHBondContact O-N 2.98Å; F144-R147 PolarHBondContact O-N 3.14Å; R147-L150 PolarHBondContact O-N 2.73Å; R147-T151 PolarHBondContact NE-OG1 2.73Å; R147-T151 WeakPolarHBondContact O-CB 3.29Å; R147-T151 PolarHBondContact O-N 3.25Å; R147-T151 PolarHBondContact O-OG1 3.08Å; R147-N462 PolarHBondContact NH1-O 2.9Å; R147-N462 PolarHBondContact NH2-OD1 3.45Å
148	R	91.9	Very high	92.1	Very high	99 Å²	99	55.3 Å²	55.3	37%	0.374	26%	0.258	S	S	.	.	H	α-helix	trans	-64.3	-44.4	177.8	-169	177.3	79.2	-176.4	0.3	111.8	F144 R145 H146 L150 P152 E305	F144-R148 WeakPolarHBondContact O-CB 3.3Å; F144-R148 PolarHBondContact O-N 2.73Å; R145-R148 PolarHBondContact O-N 3.36Å; H146-R148 VanDerWaalsContact C-N 3.3Å; H146-R148 PolarHBondContact O-N 2.94Å; R148-L150 VanDerWaalsContact C-N 3.32Å; R148-L150 PolarHBondContact O-N 3.36Å; R148-P152 WeakPolarHBondContact O-CD 3.37Å; R148-E305 VanDerWaalsContact CZ-CD 3.47Å; R148-E305 IonicContact CZ-OE1 3.4Å; R148-E305 IonicContact CZ-OE2 3.19Å; R148-E305 IonicContact NH1-OE1 3.06Å; R148-E305 PolarHBondContact NH1-OE1 3.23Å; R148-E305 IonicContact NH1-OE2 2.77Å; R148-E305 PolarHBondContact NH1-OE2 3.36Å; R148-E305 VanDerWaalsContact NH2-CG 3.29Å; R148-E305 IonicContact NH2-OE1 2.92Å; R148-E305 PolarHBondContact NH2-OE1 3.35Å; R148-E305 IonicContact NH2-OE2 3.25Å; R148-E305 PolarHBondContact NH2-OE2 3.47Å
149	L	90.8	Very high	92.1	Very high	19 Å²	19	55.4 Å²	55.4	10%	0.099	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-37.2	178.7	-71.1	170.8	0	0	0	112.5	R145 H146 P152 I298 A302 D304 L310	R145-L149 HydrophobicContact CG-CD1 4.11Å; R145-L149 WeakPolarHBondContact O-CG 3.46Å; R145-L149 PolarHBondContact O-N 2.86Å; H146-L149 PolarHBondContact O-N 3.44Å; L149-P152 WeakPolarHBondContact O-CD 3.44Å; L149-I298 WeakPolarHBondContact O-CG2 3.38Å; L149-A302 HydrophobicContact CD2-CB 4.12Å; L149-D304 HydrophobicContact CD2-CB 4.33Å; L149-L310 HydrophobicContact CD1-CD2 4.26Å
150	L	92.1	Very high	92.3	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.016	26%	0.258	C	S	.	.	H	α-helix	trans	-92.4	-24.5	-171.1	-63.4	172.4	0	0	0	114.6	L135 H146 R147 R148 P152 G153 F295 I298 L299 E318 F322 I464	L135-L150 HydrophobicContact CB-CD1 4.46Å; L135-L150 HydrophobicContact CD2-CD1 4.27Å; H146-L150 WeakPolarHBondContact O-CB 3.45Å; H146-L150 VanDerWaalsContact O-CG 3.23Å; H146-L150 WeakPolarHBondContact O-CG 3.35Å; H146-L150 PolarHBondContact O-N 3.01Å; R147-L150 PolarHBondContact O-N 2.73Å; R148-L150 VanDerWaalsContact C-N 3.32Å; R148-L150 PolarHBondContact O-N 3.36Å; L150-P152 VanDerWaalsContact C-CD 3.4Å; L150-P152 VanDerWaalsContact C-N 3.33Å; L150-G153 PolarHBondContact O-N 3.34Å; L150-F295 HydrophobicContact CB-CE2 4.26Å; L150-F295 HydrophobicContact CD1-CE2 4.09Å; L150-F295 HydrophobicContact CD1-CZ 4.41Å; L150-F295 HydrophobicContact CD2-CD2 4.11Å; L150-F295 HydrophobicContact CD2-CE2 3.39Å; L150-F295 HydrophobicContact CD2-CZ 3.95Å; L150-F295 HydrophobicContact CG-CE2 4.09Å; L150-I298 HydrophobicContact CD2-CG2 4.3Å; L150-L299 HydrophobicContact CD2-CD2 3.38Å; L150-L299 HydrophobicContact CD2-CG 3.98Å; L150-L299 HydrophobicContact CG-CD2 4.5Å; L150-E318 HydrophobicContact CD1-CG 4.24Å; L150-F322 HydrophobicContact CD1-CE2 3.76Å; L150-F322 HydrophobicContact CD1-CZ 3.95Å; L150-I464 HydrophobicContact CB-CD1 4.02Å
151	T	92.4	Very high	92.5	Very high	65 Å²	65	53.5 Å²	53.5	40%	0.399	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-54.6	-38.6	-178.7	-64.6	0	0	0	0	113.9	R147 G153 F154	R147-T151 PolarHBondContact NE-OG1 2.73Å; R147-T151 WeakPolarHBondContact O-CB 3.29Å; R147-T151 PolarHBondContact O-N 3.25Å; R147-T151 PolarHBondContact O-OG1 3.08Å; T151-G153 PolarHBondContact O-N 3.29Å; T151-G153 VanDerWaalsContact O-N 3.14Å; T151-F154 PolarHBondContact O-N 3.33Å
152	P	90.5	Very high	92.8	Very high	70 Å²	70	46.8 Å²	46.8	46%	0.455	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-56.2	-27.9	175.8	-27.9	36.4	0	0	0	114.7	R148 L149 L150 F154 H155	R148-P152 WeakPolarHBondContact O-CD 3.37Å; L149-P152 WeakPolarHBondContact O-CD 3.44Å; L150-P152 VanDerWaalsContact C-CD 3.4Å; L150-P152 VanDerWaalsContact C-N 3.33Å; P152-F154 PolarHBondContact O-N 3.27Å; P152-H155 VanDerWaalsContact O-CB 3.31Å; P152-H155 WeakPolarHBondContact O-CB 3.38Å; P152-H155 PolarHBondContact O-N 3.02Å
153	G	89.6	Confident	93	Very high	2 Å²	2	44 Å²	44	2%	0.021	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-68.5	-8.8	177.4	0	0	0	0	0	114.8	L150 T151 V158 I298	L150-G153 PolarHBondContact O-N 3.34Å; T151-G153 PolarHBondContact O-N 3.29Å; T151-G153 VanDerWaalsContact O-N 3.14Å; G153-V158 VanDerWaalsContact O-CG1 3.28Å; G153-V158 WeakPolarHBondContact O-CG1 3.24Å; G153-I298 VanDerWaalsContact N-CD1 3.29Å
154	F	92.1	Very high	93.1	Very high	30 Å²	30	48.8 Å²	48.8	13%	0.132	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-114.3	14.6	178.1	-60.6	-83.3	0	0	0	112.2	T151 P152 L159 F295 F322 I464 F468	T151-F154 PolarHBondContact O-N 3.33Å; P152-F154 PolarHBondContact O-N 3.27Å; F154-L159 WeakPolarHBondContact O-CD1 3.45Å; F154-F295 HydrophobicContact CE2-CD2 4.07Å; F154-F295 HydrophobicContact CE2-CE2 4.42Å; F154-F295 HydrophobicContact CZ-CD2 4.18Å; F154-F322 AromaticContact CE2-CE1 3.67Å; F154-F322 HydrophobicContact CE2-CE1 3.67Å; F154-F322 HydrophobicContact CE2-CZ 4.36Å; F154-F322 AromaticContact CZ-CD1 3.9Å; F154-F322 HydrophobicContact CZ-CD1 3.9Å; F154-F322 AromaticContact CZ-CE1 3.42Å; F154-F322 HydrophobicContact CZ-CE1 3.42Å; F154-F322 VanDerWaalsContact CZ-CE1 3.42Å; F154-F322 HydrophobicContact CZ-CZ 4.49Å; F154-I464 HydrophobicContact CD2-CD1 3.78Å; F154-I464 HydrophobicContact CD2-CG1 3.64Å; F154-I464 HydrophobicContact CD2-CG2 4.49Å; F154-I464 HydrophobicContact CE2-CD1 3.83Å; F154-I464 HydrophobicContact CE2-CG1 3.96Å; F154-I464 HydrophobicContact CE2-CG2 4.06Å; F154-I464 HydrophobicContact CG-CG1 4.29Å; F154-I464 HydrophobicContact CZ-CG2 4.28Å; F154-F468 HydrophobicContact CD1-CB 4.34Å; F154-F468 HydrophobicContact CE1-CB 4.49Å
155	H	92.3	Very high	93.3	Very high	61 Å²	61	46.1 Å²	46.1	28%	0.282	22%	0.221	S	C	.	.	S	Bend	trans	-67.6	147.9	173.5	-170.9	-98.1	0	0	0	111	P152 D157 V158 L159 Y292	P152-H155 VanDerWaalsContact O-CB 3.31Å; P152-H155 WeakPolarHBondContact O-CB 3.38Å; P152-H155 PolarHBondContact O-N 3.02Å; H155-D157 IonicContact CE1-OD2 3.48Å; H155-D157 PolarHBondContact CE1-OD2 3.4Å; H155-D157 PolarHBondContact ND1-N 2.85Å; H155-D157 IonicContact ND1-OD2 3.54Å; H155-D157 PolarHBondContact O-N 3.35Å; H155-D157 VanDerWaalsContact O-N 3.11Å; H155-V158 HydrophobicContact CB-CG2 4.44Å; H155-V158 WeakPolarHBondContact O-CA 3.44Å; H155-V158 WeakPolarHBondContact O-CB 3.43Å; H155-V158 PolarHBondContact O-N 3.2Å; H155-L159 WeakPolarHBondContact O-CG 3.24Å; H155-L159 PolarHBondContact O-N 3.02Å; H155-L159 VanDerWaalsContact O-N 3.09Å; H155-Y292 HydrophobicContact CB-CE1 4.45Å; H155-Y292 AromaticContact CE1-CZ 3.98Å; H155-Y292 AromaticContact ND1-CE1 3.58Å; H155-Y292 AromaticContact ND1-CZ 3.81Å
156	Y	90.6	Very high	93.6	Very high	117 Å²	117	43.2 Å²	43.2	46%	0.459	21%	0.21	S	C	.	.	H	α-helix	trans	-57.6	-32.4	-175	61.6	-98.1	0	0	0	113.3	V158 L159 K160	Y156-V158 VanDerWaalsContact C-N 3.29Å; Y156-V158 PolarHBondContact O-N 3.2Å; Y156-L159 PolarHBondContact O-N 3.08Å; Y156-K160 WeakPolarHBondContact O-CB 3.33Å; Y156-K160 WeakPolarHBondContact O-CG 3.32Å; Y156-K160 PolarHBondContact O-N 3.41Å
157	D	91.7	Very high	93.7	Very high	46 Å²	46	43.2 Å²	43.2	25%	0.246	21%	0.21	C	C	.	.	H	α-helix	trans	-70.7	-22	176.3	-69.5	-37.3	0	0	0	113.8	H155 K160 P161 Y292	H155-D157 IonicContact CE1-OD2 3.48Å; H155-D157 PolarHBondContact CE1-OD2 3.4Å; H155-D157 PolarHBondContact ND1-N 2.85Å; H155-D157 IonicContact ND1-OD2 3.54Å; H155-D157 PolarHBondContact O-N 3.35Å; H155-D157 VanDerWaalsContact O-N 3.11Å; D157-K160 IonicContact OD1-NZ 3.6Å; D157-K160 PolarHBondContact OD1-NZ 2.98Å; D157-P161 WeakPolarHBondContact O-CD 3.39Å; D157-Y292 HydrophobicContact CB-CD2 3.57Å; D157-Y292 HydrophobicContact CB-CE1 4.44Å; D157-Y292 HydrophobicContact CB-CE2 3.49Å; D157-Y292 VanDerWaalsContact CB-CE2 3.49Å; D157-Y292 HydrophobicContact CB-CG 4.12Å; D157-Y292 WeakPolarHBondContact OD2-CE2 3.49Å
158	V	92.9	Very high	93.9	Very high	6 Å²	6	44.1 Å²	44.1	4%	0.036	22%	0.218	C	C	.	.	H	α-helix	trans	-77.9	-40.3	167.6	-178.8	0	0	0	0	110.3	G153 H155 Y156 P161 Y162 Y292	G153-V158 VanDerWaalsContact O-CG1 3.28Å; G153-V158 WeakPolarHBondContact O-CG1 3.24Å; H155-V158 HydrophobicContact CB-CG2 4.44Å; H155-V158 WeakPolarHBondContact O-CA 3.44Å; H155-V158 WeakPolarHBondContact O-CB 3.43Å; H155-V158 PolarHBondContact O-N 3.2Å; Y156-V158 VanDerWaalsContact C-N 3.29Å; Y156-V158 PolarHBondContact O-N 3.2Å; V158-P161 WeakPolarHBondContact O-CD 3.32Å; V158-Y162 HydrophobicContact CG1-CE1 4.42Å; V158-Y162 HydrophobicContact CG1-CE2 3.69Å; V158-Y162 VanDerWaalsContact CG1-OH 3.23Å; V158-Y162 WeakPolarHBondContact CG1-OH 3.27Å; V158-Y292 HydrophobicContact CG2-CD1 4.15Å; V158-Y292 HydrophobicContact CG2-CG 4.24Å
159	L	95.6	Very high	94.1	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-78.6	-25.3	-173.5	-58.6	-178.4	0	0	0	113.9	F154 H155 Y156 Y162 W367 T467 F468	F154-L159 WeakPolarHBondContact O-CD1 3.45Å; H155-L159 WeakPolarHBondContact O-CG 3.24Å; H155-L159 PolarHBondContact O-N 3.02Å; H155-L159 VanDerWaalsContact O-N 3.09Å; Y156-L159 PolarHBondContact O-N 3.08Å; L159-Y162 HydrophobicContact CD2-CD2 3.83Å; L159-Y162 HydrophobicContact CD2-CE2 4.13Å; L159-Y162 WeakPolarHBondContact O-CB 3.25Å; L159-Y162 PolarHBondContact O-N 3.24Å; L159-Y162 VanDerWaalsContact O-N 3.12Å; L159-W367 HydrophobicContact CB-CH2 4.12Å; L159-W367 HydrophobicContact CB-CZ3 3.6Å; L159-T467 HydrophobicContact CD1-CG2 3.48Å; L159-T467 VanDerWaalsContact CD1-CG2 3.48Å; L159-F468 HydrophobicContact CD2-CB 4.07Å; L159-F468 HydrophobicContact CD2-CD2 4.02Å
160	K	95.8	Very high	94.5	Very high	72 Å²	72	38.5 Å²	38.5	31%	0.313	20%	0.195	S	C	.	.	H	α-helix	trans	-53	-55.6	178.7	-90.2	169.7	-175.7	170	0	112.8	Y156 D157 Y162 V163 W367	Y156-K160 WeakPolarHBondContact O-CB 3.33Å; Y156-K160 WeakPolarHBondContact O-CG 3.32Å; Y156-K160 PolarHBondContact O-N 3.41Å; D157-K160 IonicContact OD1-NZ 3.6Å; D157-K160 PolarHBondContact OD1-NZ 2.98Å; K160-Y162 PolarHBondContact O-N 2.83Å; K160-V163 PolarHBondContact O-N 3.32Å; K160-W367 HydrophobicContact CB-CB 4.45Å; K160-W367 HydrophobicContact CB-CD2 4.24Å; K160-W367 HydrophobicContact CB-CE3 4.24Å; K160-W367 HydrophobicContact CB-CG 4.33Å; K160-W367 HydrophobicContact CD-CG 4.46Å; K160-W367 HydrophobicContact CG-CB 3.95Å; K160-W367 HydrophobicContact CG-CD2 3.36Å; K160-W367 HydrophobicContact CG-CE3 3.77Å; K160-W367 HydrophobicContact CG-CG 3.41Å; K160-W367 VanDerWaalsContact CG-CG 3.41Å; K160-W367 HydrophobicContact CG-CZ2 4.4Å; K160-W367 HydrophobicContact CG-CZ3 4.39Å
161	P	94.2	Very high	94.7	Very high	79 Å²	79	42.9 Å²	42.9	51%	0.513	21%	0.214	S	C	.	.	H	α-helix	trans	-61.4	-28.2	176.6	-23.8	34	0	0	0	114.1	D157 V158 V163 K164	D157-P161 WeakPolarHBondContact O-CD 3.39Å; V158-P161 WeakPolarHBondContact O-CD 3.32Å; P161-V163 VanDerWaalsContact C-N 3.25Å; P161-V163 PolarHBondContact O-N 2.99Å; P161-K164 PolarHBondContact O-N 3.05Å
162	Y	96.7	Very high	94.9	Very high	8 Å²	8	41.9 Å²	41.9	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-67	-25.3	-176.8	-64	-10.3	0	0	0	113.1	V158 L159 K160 K164 L165 M166 C204 D294 F468	V158-Y162 HydrophobicContact CG1-CE1 4.42Å; V158-Y162 HydrophobicContact CG1-CE2 3.69Å; V158-Y162 VanDerWaalsContact CG1-OH 3.23Å; V158-Y162 WeakPolarHBondContact CG1-OH 3.27Å; L159-Y162 HydrophobicContact CD2-CD2 3.83Å; L159-Y162 HydrophobicContact CD2-CE2 4.13Å; L159-Y162 WeakPolarHBondContact O-CB 3.25Å; L159-Y162 PolarHBondContact O-N 3.24Å; L159-Y162 VanDerWaalsContact O-N 3.12Å; K160-Y162 PolarHBondContact O-N 2.83Å; Y162-K164 PolarHBondContact O-N 3.35Å; Y162-L165 HydrophobicContact CD1-CD1 4.01Å; Y162-L165 PolarHBondContact O-N 2.83Å; Y162-M166 WeakPolarHBondContact O-CB 3.35Å; Y162-M166 VanDerWaalsContact O-CG 3.23Å; Y162-M166 WeakPolarHBondContact O-CG 3.25Å; Y162-M166 PolarHBondContact O-N 2.67Å; Y162-C204 HydrophobicContact CD1-CB 3.77Å; Y162-C204 HydrophobicContact CD2-CB 3.65Å; Y162-C204 HydrophobicContact CE1-CB 4Å; Y162-C204 VanDerWaalsContact CE1-O 3.3Å; Y162-C204 WeakPolarHBondContact CE1-O 3.39Å; Y162-C204 HydrophobicContact CE2-CB 3.86Å; Y162-C204 HydrophobicContact CG-CB 3.61Å; Y162-C204 PolarHBondContact OH-O 2.9Å; Y162-D294 WeakPolarHBondContact CE1-OD1 3.29Å; Y162-D294 WeakPolarHBondContact OH-CA 3.27Å; Y162-D294 WeakPolarHBondContact OH-CB 3.36Å; Y162-D294 PolarHBondContact OH-OD1 2.87Å; Y162-F468 AromaticContact CD2-CD2 3.93Å; Y162-F468 HydrophobicContact CD2-CD2 3.93Å; Y162-F468 AromaticContact CD2-CE2 3.89Å; Y162-F468 HydrophobicContact CD2-CE2 3.89Å; Y162-F468 HydrophobicContact CE2-CD2 4.48Å; Y162-F468 HydrophobicContact CE2-CE2 4.46Å
163	V	97.8	Very high	95.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-58.7	-36.7	177.7	-172.6	0	0	0	0	111.5	K160 P161 S167 M365 W367 L370 V475	K160-V163 PolarHBondContact O-N 3.32Å; P161-V163 VanDerWaalsContact C-N 3.25Å; P161-V163 PolarHBondContact O-N 2.99Å; V163-S167 WeakPolarHBondContact O-CB 3.4Å; V163-S167 PolarHBondContact O-N 2.61Å; V163-S167 PolarHBondContact O-OG 3.31Å; V163-M365 HydrophobicContact CG1-CB 4.42Å; V163-M365 HydrophobicContact CG1-CG 4.42Å; V163-M365 WeakPolarHBondContact CG1-O 3.45Å; V163-W367 HydrophobicContact CG2-CB 4.25Å; V163-W367 HydrophobicContact CG2-CE3 3.68Å; V163-W367 HydrophobicContact CG2-CZ3 4.49Å; V163-L370 HydrophobicContact CG1-CD1 4.31Å; V163-L370 HydrophobicContact CG1-CD2 4.5Å; V163-L370 HydrophobicContact CG1-CG 4.41Å; V163-L370 HydrophobicContact CG2-CD1 3.74Å; V163-V475 HydrophobicContact CG1-CG2 3.59Å
164	K	96	Very high	95.6	Very high	129 Å²	129	38.7 Å²	38.7	56%	0.561	19%	0.187	S	C	*	.	H	α-helix	trans	-69.5	-44.5	174.7	-171.8	172	-177.7	173	0	111.7	P161 Y162 M166 S167 D168	P161-K164 PolarHBondContact O-N 3.05Å; Y162-K164 PolarHBondContact O-N 3.35Å; K164-M166 VanDerWaalsContact C-N 3.34Å; K164-M166 PolarHBondContact O-N 3.06Å; K164-S167 WeakPolarHBondContact O-CA 3.28Å; K164-S167 WeakPolarHBondContact O-CB 3.5Å; K164-S167 PolarHBondContact O-N 3.39Å; K164-S167 VanDerWaalsContact O-N 3.11Å; K164-D168 VanDerWaalsContact O-CG 3.3Å; K164-D168 PolarHBondContact O-N 3.11Å
165	L	96.4	Very high	95.8	Very high	52 Å²	52	40.6 Å²	40.6	27%	0.272	20%	0.198	S	C	.	.	H	α-helix	trans	-63.3	-40.1	177.6	-60.9	177.6	0	0	0	112.2	Y162 S167 D168 S169 K203	Y162-L165 HydrophobicContact CD1-CD1 4.01Å; Y162-L165 PolarHBondContact O-N 2.83Å; L165-S167 VanDerWaalsContact C-N 3.32Å; L165-D168 PolarHBondContact O-N 3.46Å; L165-S169 PolarHBondContact O-N 2.87Å; L165-K203 HydrophobicContact CB-CB 4.48Å; L165-K203 HydrophobicContact CD1-CB 4.39Å
166	M	98.1	Very high	95.8	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-60.8	-42.9	171.9	-69.6	166.8	178.6	0	0	110.7	Y162 K164 D168 S169 A170 S200 F468 N471 E472 V475	Y162-M166 WeakPolarHBondContact O-CB 3.35Å; Y162-M166 VanDerWaalsContact O-CG 3.23Å; Y162-M166 WeakPolarHBondContact O-CG 3.25Å; Y162-M166 PolarHBondContact O-N 2.67Å; K164-M166 VanDerWaalsContact C-N 3.34Å; K164-M166 PolarHBondContact O-N 3.06Å; M166-D168 PolarHBondContact O-N 3.43Å; M166-S169 PolarHBondContact O-N 2.88Å; M166-A170 WeakPolarHBondContact O-CB 3.43Å; M166-A170 PolarHBondContact O-N 3.16Å; M166-S200 WeakPolarHBondContact CG-OG 3.49Å; M166-F468 HydrophobicContact CE-CD1 4.15Å; M166-F468 HydrophobicContact CE-CD2 3.53Å; M166-F468 HydrophobicContact CE-CE1 3.92Å; M166-F468 HydrophobicContact CE-CE2 3.26Å; M166-F468 HydrophobicContact CE-CG 3.96Å; M166-F468 HydrophobicContact CE-CZ 3.47Å; M166-F468 VanDerWaalsContact CE-CZ 3.47Å; M166-N471 HydrophobicContact SD-CB 4.28Å; M166-E472 HydrophobicContact CE-CB 3.93Å; M166-E472 HydrophobicContact CG-CB 4.43Å; M166-E472 HydrophobicContact CG-CG 4.37Å; M166-E472 HydrophobicContact SD-CB 3.89Å; M166-E472 HydrophobicContact SD-CG 4.45Å; M166-V475 HydrophobicContact CB-CB 4.34Å; M166-V475 HydrophobicContact CB-CG1 4.03Å; M166-V475 HydrophobicContact CB-CG2 4.43Å
167	S	97.6	Very high	96.1	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.007	17%	0.174	C	C	.	.	H	α-helix	trans	-61.9	-42.5	176.1	-63.1	0	0	0	0	111.7	V163 K164 L165 A170 K171 M365 V475	V163-S167 WeakPolarHBondContact O-CB 3.4Å; V163-S167 PolarHBondContact O-N 2.61Å; V163-S167 PolarHBondContact O-OG 3.31Å; K164-S167 WeakPolarHBondContact O-CA 3.28Å; K164-S167 WeakPolarHBondContact O-CB 3.5Å; K164-S167 PolarHBondContact O-N 3.39Å; K164-S167 VanDerWaalsContact O-N 3.11Å; L165-S167 VanDerWaalsContact C-N 3.32Å; S167-A170 PolarHBondContact O-N 3.5Å; S167-K171 WeakPolarHBondContact O-CB 3.39Å; S167-K171 PolarHBondContact O-N 2.86Å; S167-M365 PolarHBondContact OG-N 3.18Å; S167-M365 PolarHBondContact OG-O 2.9Å; S167-V475 WeakPolarHBondContact OG-CG1 3.3Å
168	D	96.3	Very high	96.1	Very high	61 Å²	61	37.4 Å²	37.4	33%	0.326	19%	0.185	S	C	.	.	H	α-helix	trans	-65	-42	178.3	-65.9	-24.4	0	0	0	111.9	K164 L165 M166 K171 T172	K164-D168 VanDerWaalsContact O-CG 3.3Å; K164-D168 PolarHBondContact O-N 3.11Å; L165-D168 PolarHBondContact O-N 3.46Å; M166-D168 PolarHBondContact O-N 3.43Å; D168-K171 PolarHBondContact O-N 3.42Å; D168-T172 PolarHBondContact O-N 3.16Å; D168-T172 VanDerWaalsContact O-N 3.16Å; D168-T172 PolarHBondContact O-OG1 3.48Å; D168-T172 VanDerWaalsContact O-OG1 3.08Å
169	S	97.6	Very high	96.1	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.1	-41.9	174.8	-75.3	0	0	0	0	111.8	L165 M166 T172 M173 M196 D199 K203 Q213	L165-S169 PolarHBondContact O-N 2.87Å; M166-S169 PolarHBondContact O-N 2.88Å; S169-T172 PolarHBondContact O-N 2.79Å; S169-M173 PolarHBondContact O-N 3.14Å; S169-M196 WeakPolarHBondContact O-CG 3.46Å; S169-D199 PolarHBondContact OG-OD2 3.47Å; S169-K203 PolarHBondContact OG-NZ 3Å; S169-Q213 PolarHBondContact O-NE2 2.99Å; S169-Q213 PolarHBondContact O-OE1 3.32Å
170	A	98	Very high	96	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.7	-42.6	174.9	0	0	0	0	0	111.8	M166 S167 T172 M173 L174 V476 L479	M166-A170 WeakPolarHBondContact O-CB 3.43Å; M166-A170 PolarHBondContact O-N 3.16Å; S167-A170 PolarHBondContact O-N 3.5Å; A170-T172 PolarHBondContact O-N 3.16Å; A170-M173 WeakPolarHBondContact O-CB 3.48Å; A170-M173 PolarHBondContact O-N 3.17Å; A170-M173 VanDerWaalsContact O-N 3.14Å; A170-L174 VanDerWaalsContact O-CG 3.26Å; A170-L174 WeakPolarHBondContact O-CG 3.44Å; A170-L174 PolarHBondContact O-N 3.23Å; A170-V476 HydrophobicContact CB-CG2 4.07Å; A170-L479 HydrophobicContact CB-CD1 4.01Å
171	K	96.9	Very high	95.7	Very high	96 Å²	96	42.8 Å²	42.8	42%	0.417	20%	0.204	S	C	.	.	H	α-helix	trans	-59.1	-46.7	178	-176.1	173.5	178.6	173.5	0	111.8	S167 D168 M173 L174 D175	S167-K171 WeakPolarHBondContact O-CB 3.39Å; S167-K171 PolarHBondContact O-N 2.86Å; D168-K171 PolarHBondContact O-N 3.42Å; K171-M173 VanDerWaalsContact C-N 3.27Å; K171-M173 PolarHBondContact O-N 2.89Å; K171-L174 PolarHBondContact O-N 3.18Å; K171-L174 VanDerWaalsContact O-N 3.1Å; K171-D175 VanDerWaalsContact O-CG 3.25Å; K171-D175 PolarHBondContact O-N 2.88Å
172	T	96.7	Very high	95.3	Very high	43 Å²	43	44.7 Å²	44.7	26%	0.264	21%	0.21	S	C	.	.	H	α-helix	trans	-54.1	-43.8	174.7	-56.7	0	0	0	0	111.9	D168 S169 A170 K176 Q213 T214	D168-T172 PolarHBondContact O-N 3.16Å; D168-T172 VanDerWaalsContact O-N 3.16Å; D168-T172 PolarHBondContact O-OG1 3.48Å; D168-T172 VanDerWaalsContact O-OG1 3.08Å; S169-T172 PolarHBondContact O-N 2.79Å; A170-T172 PolarHBondContact O-N 3.16Å; T172-K176 WeakPolarHBondContact O-CG 3.46Å; T172-K176 PolarHBondContact O-N 3.32Å; T172-Q213 HydrophobicContact CG2-CB 3.91Å; T172-Q213 HydrophobicContact CG2-CG 4.48Å; T172-T214 HydrophobicContact CG2-CG2 3.91Å
173	M	97.1	Very high	94.8	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-64.2	-46.7	176.6	-175.5	-174.4	70.4	0	0	111.7	S169 A170 K171 D175 K176 W177 H192 V193 M196 V476	S169-M173 PolarHBondContact O-N 3.14Å; A170-M173 WeakPolarHBondContact O-CB 3.48Å; A170-M173 PolarHBondContact O-N 3.17Å; A170-M173 VanDerWaalsContact O-N 3.14Å; K171-M173 VanDerWaalsContact C-N 3.27Å; K171-M173 PolarHBondContact O-N 2.89Å; M173-D175 VanDerWaalsContact C-N 3.35Å; M173-D175 PolarHBondContact O-N 2.87Å; M173-K176 WeakPolarHBondContact O-CB 3.41Å; M173-K176 PolarHBondContact O-N 2.74Å; M173-W177 HydrophobicContact CE-CH2 4.18Å; M173-W177 HydrophobicContact CE-CZ2 4.02Å; M173-W177 HydrophobicContact CG-CZ2 4.41Å; M173-W177 PolarHBondContact O-N 2.97Å; M173-W177 HydrophobicContact SD-CZ2 4.04Å; M173-H192 HydrophobicContact CG-CB 4.16Å; M173-H192 HydrophobicContact SD-CB 4.29Å; M173-V193 HydrophobicContact SD-CB 4.46Å; M173-V193 HydrophobicContact SD-CG2 3.95Å; M173-M196 HydrophobicContact CB-CB 3.99Å; M173-M196 HydrophobicContact CB-CG 3.91Å; M173-M196 HydrophobicContact CG-CB 4.22Å; M173-M196 HydrophobicContact CG-CG 4.5Å; M173-M196 HydrophobicContact SD-CB 3.7Å; M173-M196 HydrophobicContact SD-CE 4.39Å; M173-M196 HydrophobicContact SD-CG 3.99Å; M173-V476 HydrophobicContact CE-CG1 4.05Å
174	L	97	Very high	94.1	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-69.2	-31.1	-176.7	-67.6	172.5	0	0	0	113	A170 K171 K176 W177 L479 T480 Y484	A170-L174 VanDerWaalsContact O-CG 3.26Å; A170-L174 WeakPolarHBondContact O-CG 3.44Å; A170-L174 PolarHBondContact O-N 3.23Å; K171-L174 PolarHBondContact O-N 3.18Å; K171-L174 VanDerWaalsContact O-N 3.1Å; L174-K176 VanDerWaalsContact C-N 3.33Å; L174-W177 HydrophobicContact CD2-CD2 4.43Å; L174-W177 HydrophobicContact CD2-CE3 3.88Å; L174-W177 HydrophobicContact CD2-CZ3 4.24Å; L174-W177 WeakPolarHBondContact O-CB 3.42Å; L174-W177 PolarHBondContact O-N 2.71Å; L174-W177 VanDerWaalsContact O-N 3.17Å; L174-L479 HydrophobicContact CD1-CB 3.82Å; L174-T480 HydrophobicContact CD2-CG2 4.2Å; L174-Y484 HydrophobicContact CB-CE2 4.2Å; L174-Y484 HydrophobicContact CD2-CD2 3.87Å; L174-Y484 HydrophobicContact CD2-CE2 3.78Å; L174-Y484 PolarHBondContact O-OH 2.86Å
175	D	95.5	Very high	93.9	Very high	69 Å²	69	54.8 Å²	54.8	37%	0.369	26%	0.263	S	S	.	.	H	α-helix	trans	-63.2	-41.7	171.5	-70.1	-23.5	0	0	0	110.6	K171 M173 W177 E178 R483	K171-D175 VanDerWaalsContact O-CG 3.25Å; K171-D175 PolarHBondContact O-N 2.88Å; M173-D175 VanDerWaalsContact C-N 3.35Å; M173-D175 PolarHBondContact O-N 2.87Å; D175-W177 PolarHBondContact O-N 3.46Å; D175-E178 WeakPolarHBondContact O-CB 3.48Å; D175-E178 PolarHBondContact O-N 2.85Å; D175-R483 IonicContact OD1-CZ 3.45Å; D175-R483 VanDerWaalsContact OD1-CZ 3.26Å; D175-R483 IonicContact OD1-NH1 2.91Å; D175-R483 PolarHBondContact OD1-NH1 3.29Å; D175-R483 IonicContact OD1-NH2 3.26Å; D175-R483 PolarHBondContact OD1-NH2 2.85Å
176	K	94.3	Very high	93.8	Very high	55 Å²	55	54 Å²	54	24%	0.239	26%	0.262	C	S	.	.	H	α-helix	trans	-65.4	-25.3	174	-66.2	169.9	58.8	-173.5	0	113	T172 M173 L174 E178 R179 Q213	T172-K176 WeakPolarHBondContact O-CG 3.46Å; T172-K176 PolarHBondContact O-N 3.32Å; M173-K176 WeakPolarHBondContact O-CB 3.41Å; M173-K176 PolarHBondContact O-N 2.74Å; L174-K176 VanDerWaalsContact C-N 3.33Å; K176-E178 VanDerWaalsContact C-N 3.28Å; K176-R179 WeakPolarHBondContact O-CG 3.32Å; K176-Q213 WeakPolarHBondContact CE-O 3.27Å; K176-Q213 PolarHBondContact NZ-O 2.65Å
177	W	95.8	Very high	93.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-75.4	-16.3	-179.4	-75.9	10.6	0	0	0	113.6	M173 L174 D175 R179 Y180 A181 F187 L189 H192 V193 L338 T480 Y484 I512	M173-W177 HydrophobicContact CE-CH2 4.18Å; M173-W177 HydrophobicContact CE-CZ2 4.02Å; M173-W177 HydrophobicContact CG-CZ2 4.41Å; M173-W177 PolarHBondContact O-N 2.97Å; M173-W177 HydrophobicContact SD-CZ2 4.04Å; L174-W177 HydrophobicContact CD2-CD2 4.43Å; L174-W177 HydrophobicContact CD2-CE3 3.88Å; L174-W177 HydrophobicContact CD2-CZ3 4.24Å; L174-W177 WeakPolarHBondContact O-CB 3.42Å; L174-W177 PolarHBondContact O-N 2.71Å; L174-W177 VanDerWaalsContact O-N 3.17Å; D175-W177 PolarHBondContact O-N 3.46Å; W177-R179 PolarHBondContact O-N 3.04Å; W177-R179 VanDerWaalsContact O-N 3.11Å; W177-Y180 PolarHBondContact O-N 3.09Å; W177-A181 PolarHBondContact O-N 3.08Å; W177-F187 HydrophobicContact CD2-CE2 4.01Å; W177-F187 AromaticContact CD2-CZ 3.64Å; W177-F187 HydrophobicContact CD2-CZ 3.64Å; W177-F187 AromaticContact CE2-CE2 3.54Å; W177-F187 AromaticContact CE2-CZ 3.64Å; W177-F187 AromaticContact CE3-CZ 3.91Å; W177-F187 HydrophobicContact CE3-CZ 3.91Å; W177-F187 HydrophobicContact CG-CE2 4.35Å; W177-F187 HydrophobicContact CG-CZ 4.11Å; W177-F187 HydrophobicContact CH2-CE2 4.46Å; W177-F187 HydrophobicContact CH2-CZ 4.18Å; W177-F187 AromaticContact CZ2-CE2 3.81Å; W177-F187 HydrophobicContact CZ2-CE2 3.81Å; W177-F187 AromaticContact CZ2-CZ 3.93Å; W177-F187 HydrophobicContact CZ2-CZ 3.93Å; W177-F187 HydrophobicContact CZ3-CZ 4.16Å; W177-F187 AromaticContact NE1-CE2 3.57Å; W177-L189 HydrophobicContact CH2-CB 4.32Å; W177-L189 HydrophobicContact CZ2-CB 4.07Å; W177-H192 AromaticContact CD1-ND1 3.56Å; W177-H192 HydrophobicContact CZ2-CB 4.25Å; W177-H192 AromaticContact NE1-CG 3.36Å; W177-H192 AromaticContact NE1-ND1 3.26Å; W177-H192 PolarHBondContact NE1-ND1 3.17Å; W177-V193 HydrophobicContact CZ2-CG2 4.47Å; W177-L338 HydrophobicContact CH2-CD1 3.84Å; W177-L338 HydrophobicContact CZ3-CD1 4.42Å; W177-T480 HydrophobicContact CZ3-CG2 3.84Å; W177-Y484 HydrophobicContact CB-CE2 3.9Å; W177-Y484 HydrophobicContact CE3-CD2 4.16Å; W177-Y484 HydrophobicContact CE3-CE2 4.3Å; W177-I512 HydrophobicContact CB-CD1 3.82Å; W177-I512 HydrophobicContact CE3-CD1 4.17Å; W177-I512 HydrophobicContact CG-CD1 4.42Å
178	E	92.4	Very high	93.6	Very high	103 Å²	103	56.5 Å²	56.5	48%	0.481	27%	0.273	S	S	.	.	H	α-helix	trans	-55.5	-34	179	-172.1	173.2	175.7	0	0	112.5	D175 K176 Y180 A181 N182 R483 Y484	D175-E178 WeakPolarHBondContact O-CB 3.48Å; D175-E178 PolarHBondContact O-N 2.85Å; K176-E178 VanDerWaalsContact C-N 3.28Å; E178-Y180 VanDerWaalsContact C-N 3.3Å; E178-Y180 PolarHBondContact O-N 3.16Å; E178-A181 PolarHBondContact O-N 3.16Å; E178-N182 PolarHBondContact O-N 2.97Å; E178-N182 VanDerWaalsContact O-N 3.15Å; E178-N182 PolarHBondContact O-ND2 3.44Å; E178-R483 IonicContact OE2-NH2 3.54Å; E178-Y484 WeakPolarHBondContact CA-OH 3.49Å; E178-Y484 PolarHBondContact N-OH 3.5Å
179	R	92.2	Very high	93.6	Very high	143 Å²	143	53.6 Å²	53.6	54%	0.54	26%	0.258	S	S	.	.	H	α-helix	trans	-61.3	-35	175.7	76.3	-168.9	-179.1	172.9	-3	113.6	K176 W177 S183	K176-R179 WeakPolarHBondContact O-CG 3.32Å; W177-R179 PolarHBondContact O-N 3.04Å; W177-R179 VanDerWaalsContact O-N 3.11Å; R179-S183 PolarHBondContact O-N 2.96Å
180	Y	93.5	Very high	93.6	Very high	45 Å²	45	54.1 Å²	54.1	18%	0.176	26%	0.26	C	S	.	.	H	α-helix	trans	-81	-36	-179.3	-60.2	-65.2	0	0	0	111.6	W177 E178 N182 S183 K184 F187 H192	W177-Y180 PolarHBondContact O-N 3.09Å; E178-Y180 VanDerWaalsContact C-N 3.3Å; E178-Y180 PolarHBondContact O-N 3.16Å; Y180-N182 PolarHBondContact O-N 3.37Å; Y180-S183 PolarHBondContact O-N 2.96Å; Y180-S183 PolarHBondContact O-OG 3.48Å; Y180-K184 PolarHBondContact O-N 2.99Å; Y180-F187 HydrophobicContact CD1-CB 3.64Å; Y180-F187 HydrophobicContact CD1-CD1 4.16Å; Y180-F187 AromaticContact CD1-CG 3.94Å; Y180-F187 HydrophobicContact CD1-CG 3.94Å; Y180-F187 HydrophobicContact CD2-CB 4.3Å; Y180-F187 AromaticContact CD2-CD1 3.94Å; Y180-F187 HydrophobicContact CD2-CD1 3.94Å; Y180-F187 AromaticContact CD2-CD2 3.9Å; Y180-F187 HydrophobicContact CD2-CD2 3.9Å; Y180-F187 HydrophobicContact CD2-CE1 4.24Å; Y180-F187 HydrophobicContact CD2-CE2 4.21Å; Y180-F187 AromaticContact CD2-CG 3.77Å; Y180-F187 HydrophobicContact CD2-CG 3.77Å; Y180-F187 HydrophobicContact CD2-CZ 4.37Å; Y180-F187 HydrophobicContact CE1-CB 3.58Å; Y180-F187 HydrophobicContact CE1-CG 4.12Å; Y180-F187 HydrophobicContact CE2-CB 4.28Å; Y180-F187 AromaticContact CE2-CD2 3.84Å; Y180-F187 HydrophobicContact CE2-CD2 3.84Å; Y180-F187 HydrophobicContact CE2-CE2 4.36Å; Y180-F187 AromaticContact CE2-CG 3.99Å; Y180-F187 HydrophobicContact CE2-CG 3.99Å; Y180-F187 HydrophobicContact CG-CB 3.99Å; Y180-F187 AromaticContact CG-CD1 3.69Å; Y180-F187 HydrophobicContact CG-CD1 3.69Å; Y180-F187 HydrophobicContact CG-CD2 4.36Å; Y180-F187 HydrophobicContact CG-CE1 4.26Å; Y180-F187 AromaticContact CG-CG 3.74Å; Y180-F187 HydrophobicContact CG-CG 3.74Å; Y180-H192 AromaticContact CE2-CE1 3.7Å; Y180-H192 AromaticContact CE2-NE2 3.7Å; Y180-H192 AromaticContact CZ-NE2 3.91Å; Y180-H192 PolarHBondContact OH-NE2 3.24Å
181	A	89.3	Confident	93.4	Very high	6 Å²	6	58.6 Å²	58.6	5%	0.05	28%	0.281	C	S	.	.	H	α-helix	trans	-57	-38.3	171.3	0	0	0	0	0	112	W177 E178 Y484 I512 P514	W177-A181 PolarHBondContact O-N 3.08Å; E178-A181 PolarHBondContact O-N 3.16Å; A181-Y484 HydrophobicContact CB-CD1 4.35Å; A181-Y484 HydrophobicContact CB-CE1 3.87Å; A181-I512 HydrophobicContact CB-CD1 4.18Å; A181-I512 HydrophobicContact CB-CG1 4.14Å; A181-P514 HydrophobicContact CB-CG 3.79Å
182	N	86.4	Confident	93.4	Very high	118 Å²	118	54.6 Å²	54.6	63%	0.631	26%	0.264	S	S	*	.	H	α-helix	trans	-73.5	-35.5	177.6	-69	-25.3	0	0	0	113.4	E178 Y180	E178-N182 PolarHBondContact O-N 2.97Å; E178-N182 VanDerWaalsContact O-N 3.15Å; E178-N182 PolarHBondContact O-ND2 3.44Å; Y180-N182 PolarHBondContact O-N 3.37Å
183	S	87	Confident	93.5	Very high	54 Å²	54	52.6 Å²	52.6	38%	0.378	25%	0.251	S	S	.	.	H	α-helix	trans	-80.4	-22	179.7	70.6	0	0	0	0	113.6	R179 Y180 E185	R179-S183 PolarHBondContact O-N 2.96Å; Y180-S183 PolarHBondContact O-N 2.96Å; Y180-S183 PolarHBondContact O-OG 3.48Å; S183-E185 PolarHBondContact O-N 3.13Å; S183-E185 VanDerWaalsContact O-N 3.15Å; S183-E185 WeakPolarHBondContact OG-CB 3.28Å; S183-E185 PolarHBondContact OG-N 2.89Å
184	K	82.5	Confident	93.5	Very high	166 Å²	166	52.5 Å²	52.5	72%	0.722	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	15.3	-171.4	-55.5	178.6	-179.8	177.5	0	113.7	Y180	Y180-K184 PolarHBondContact O-N 2.99Å
185	E	90.3	Very high	93.5	Very high	130 Å²	130	53 Å²	53	61%	0.607	25%	0.254	S	S	*	.			trans	-82	153.3	177	-65.8	-178.6	153	0	0	110.6	S183	S183-E185 PolarHBondContact O-N 3.13Å; S183-E185 VanDerWaalsContact O-N 3.15Å; S183-E185 WeakPolarHBondContact OG-CB 3.28Å; S183-E185 PolarHBondContact OG-N 2.89Å
186	S	94.8	Very high	93.6	Very high	36 Å²	36	49.7 Å²	49.7	25%	0.252	24%	0.236	S	C	.	.			trans	-70.1	142.4	170.4	-169.2	0	0	0	0	109.7	D489 I510	S186-D489 WeakPolarHBondContact CB-OD2 3.43Å; S186-D489 PolarHBondContact OG-OD2 3.31Å; S186-I510 WeakPolarHBondContact CA-O 3.45Å
187	F	96.3	Very high	93.8	Very high	7 Å²	7	47.1 Å²	47.1	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	151.6	175.1	74.2	-82	0	0	0	112	W177 Y180 L189 H509 I510 I512	W177-F187 HydrophobicContact CD2-CE2 4.01Å; W177-F187 AromaticContact CD2-CZ 3.64Å; W177-F187 HydrophobicContact CD2-CZ 3.64Å; W177-F187 AromaticContact CE2-CE2 3.54Å; W177-F187 AromaticContact CE2-CZ 3.64Å; W177-F187 AromaticContact CE3-CZ 3.91Å; W177-F187 HydrophobicContact CE3-CZ 3.91Å; W177-F187 HydrophobicContact CG-CE2 4.35Å; W177-F187 HydrophobicContact CG-CZ 4.11Å; W177-F187 HydrophobicContact CH2-CE2 4.46Å; W177-F187 HydrophobicContact CH2-CZ 4.18Å; W177-F187 AromaticContact CZ2-CE2 3.81Å; W177-F187 HydrophobicContact CZ2-CE2 3.81Å; W177-F187 AromaticContact CZ2-CZ 3.93Å; W177-F187 HydrophobicContact CZ2-CZ 3.93Å; W177-F187 HydrophobicContact CZ3-CZ 4.16Å; W177-F187 AromaticContact NE1-CE2 3.57Å; Y180-F187 HydrophobicContact CD1-CB 3.64Å; Y180-F187 HydrophobicContact CD1-CD1 4.16Å; Y180-F187 AromaticContact CD1-CG 3.94Å; Y180-F187 HydrophobicContact CD1-CG 3.94Å; Y180-F187 HydrophobicContact CD2-CB 4.3Å; Y180-F187 AromaticContact CD2-CD1 3.94Å; Y180-F187 HydrophobicContact CD2-CD1 3.94Å; Y180-F187 AromaticContact CD2-CD2 3.9Å; Y180-F187 HydrophobicContact CD2-CD2 3.9Å; Y180-F187 HydrophobicContact CD2-CE1 4.24Å; Y180-F187 HydrophobicContact CD2-CE2 4.21Å; Y180-F187 AromaticContact CD2-CG 3.77Å; Y180-F187 HydrophobicContact CD2-CG 3.77Å; Y180-F187 HydrophobicContact CD2-CZ 4.37Å; Y180-F187 HydrophobicContact CE1-CB 3.58Å; Y180-F187 HydrophobicContact CE1-CG 4.12Å; Y180-F187 HydrophobicContact CE2-CB 4.28Å; Y180-F187 AromaticContact CE2-CD2 3.84Å; Y180-F187 HydrophobicContact CE2-CD2 3.84Å; Y180-F187 HydrophobicContact CE2-CE2 4.36Å; Y180-F187 AromaticContact CE2-CG 3.99Å; Y180-F187 HydrophobicContact CE2-CG 3.99Å; Y180-F187 HydrophobicContact CG-CB 3.99Å; Y180-F187 AromaticContact CG-CD1 3.69Å; Y180-F187 HydrophobicContact CG-CD1 3.69Å; Y180-F187 HydrophobicContact CG-CD2 4.36Å; Y180-F187 HydrophobicContact CG-CE1 4.26Å; Y180-F187 AromaticContact CG-CG 3.74Å; Y180-F187 HydrophobicContact CG-CG 3.74Å; F187-L189 HydrophobicContact CD2-CB 4.44Å; F187-L189 HydrophobicContact CE2-CB 3.84Å; F187-L189 HydrophobicContact CZ-CB 4.41Å; F187-L189 PolarHBondContact O-N 2.95Å; F187-H509 WeakPolarHBondContact O-CA 3.42Å; F187-I510 HydrophobicContact CE1-CG1 4.27Å; F187-I510 HydrophobicContact CZ-CG1 4.37Å; F187-I510 PolarHBondContact N-O 3.47Å; F187-I510 PolarHBondContact O-N 3.05Å; F187-I512 HydrophobicContact CE1-CD1 3.83Å; F187-I512 HydrophobicContact CE1-CG1 3.92Å; F187-I512 HydrophobicContact CE1-CG2 3.91Å; F187-I512 HydrophobicContact CZ-CD1 4.22Å; F187-I512 HydrophobicContact CZ-CG2 4.34Å
188	E	96.2	Very high	93.9	Very high	48 Å²	48	47.1 Å²	47.1	22%	0.224	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	112.3	176	-155	-64.1	123.4	0	0	109.3	F190 E191 G507 I508	E188-F190 WeakPolarHBondContact OE1-CB 3.43Å; E188-F190 PolarHBondContact OE1-N 3.32Å; E188-F190 PolarHBondContact OE2-N 3.07Å; E188-E191 PolarHBondContact OE2-N 3.43Å; E188-G507 WeakPolarHBondContact OE1-CA 3.48Å; E188-I508 WeakPolarHBondContact CA-O 3.45Å; E188-I508 PolarHBondContact OE1-N 2.99Å
189	L	96.8	Very high	94.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.203	C	C	.	.			trans	-88.1	-22.6	-173.2	75.2	91.2	0	0	0	113.3	W177 F187 E191 H192 V193 S335 L338 I508 I510	W177-L189 HydrophobicContact CH2-CB 4.32Å; W177-L189 HydrophobicContact CZ2-CB 4.07Å; F187-L189 HydrophobicContact CD2-CB 4.44Å; F187-L189 HydrophobicContact CE2-CB 3.84Å; F187-L189 HydrophobicContact CZ-CB 4.41Å; F187-L189 PolarHBondContact O-N 2.95Å; L189-E191 PolarHBondContact O-N 2.77Å; L189-H192 WeakPolarHBondContact O-CB 3.15Å; L189-H192 PolarHBondContact O-N 3.05Å; L189-V193 HydrophobicContact CD1-CG2 3.7Å; L189-V193 WeakPolarHBondContact O-CG2 3.32Å; L189-V193 PolarHBondContact O-N 3.05Å; L189-S335 VanDerWaalsContact CD1-CB 3.46Å; L189-S335 WeakPolarHBondContact CD1-OG 3.44Å; L189-L338 HydrophobicContact CD1-CD1 4.49Å; L189-I508 HydrophobicContact CD2-CB 4.34Å; L189-I508 HydrophobicContact CD2-CG2 3.66Å; L189-I508 HydrophobicContact CG-CB 4.17Å; L189-I508 HydrophobicContact CG-CG2 4.02Å; L189-I508 WeakPolarHBondContact CG-O 3.39Å; L189-I508 PolarHBondContact N-O 2.91Å; L189-I510 HydrophobicContact CD2-CB 4.32Å; L189-I510 HydrophobicContact CD2-CD1 3.61Å; L189-I510 HydrophobicContact CD2-CG1 3.64Å; L189-I510 HydrophobicContact CD2-CG2 3.83Å
190	F	96.3	Very high	94.4	Very high	12 Å²	12	35.6 Å²	35.6	5%	0.053	18%	0.177	C	C	.	.	H	α-helix	trans	-63.3	-41.1	-172.9	-165.1	-79.9	0	0	0	111.5	E188 H192 V193 S194 Y226 S335 R503 I508	E188-F190 WeakPolarHBondContact OE1-CB 3.43Å; E188-F190 PolarHBondContact OE1-N 3.32Å; E188-F190 PolarHBondContact OE2-N 3.07Å; F190-H192 VanDerWaalsContact C-N 3.33Å; F190-H192 PolarHBondContact O-N 3.21Å; F190-V193 PolarHBondContact O-N 3.36Å; F190-S194 WeakPolarHBondContact CE1-OG 3.37Å; F190-S194 WeakPolarHBondContact O-CB 3.49Å; F190-S194 PolarHBondContact O-N 2.87Å; F190-S194 PolarHBondContact O-OG 3.38Å; F190-Y226 WeakPolarHBondContact CD1-OH 3.3Å; F190-Y226 HydrophobicContact CE1-CE1 4.47Å; F190-Y226 AromaticContact CE1-CZ 3.96Å; F190-Y226 VanDerWaalsContact CE1-OH 3.24Å; F190-Y226 WeakPolarHBondContact CE1-OH 3.21Å; F190-S335 WeakPolarHBondContact CD2-OG 3.22Å; F190-R503 HydrophobicContact CZ-CG 4.23Å; F190-I508 HydrophobicContact CD2-CD1 4.11Å
191	E	94.4	Very high	94.5	Very high	94 Å²	94	33.8 Å²	33.8	44%	0.439	17%	0.171	S	C	.	.	H	α-helix	trans	-59.3	-43.5	175.7	-177.1	174.1	-175.2	0	0	112	E188 L189 S194 L195	E188-E191 PolarHBondContact OE2-N 3.43Å; L189-E191 PolarHBondContact O-N 2.77Å; E191-S194 PolarHBondContact O-N 3.5Å; E191-L195 HydrophobicContact CG-CD1 4.45Å; E191-L195 WeakPolarHBondContact O-CG 3.03Å; E191-L195 PolarHBondContact O-N 3.04Å; E191-L195 VanDerWaalsContact O-N 3.14Å
192	H	96.6	Very high	94.9	Very high	12 Å²	12	33.7 Å²	33.7	6%	0.056	17%	0.169	C	C	.	.	H	α-helix	trans	-63.9	-47	178	-76.1	-102.2	0	0	0	111.8	M173 W177 Y180 L189 F190 S194 L195 M196	M173-H192 HydrophobicContact CG-CB 4.16Å; M173-H192 HydrophobicContact SD-CB 4.29Å; W177-H192 AromaticContact CD1-ND1 3.56Å; W177-H192 HydrophobicContact CZ2-CB 4.25Å; W177-H192 AromaticContact NE1-CG 3.36Å; W177-H192 AromaticContact NE1-ND1 3.26Å; W177-H192 PolarHBondContact NE1-ND1 3.17Å; Y180-H192 AromaticContact CE2-CE1 3.7Å; Y180-H192 AromaticContact CE2-NE2 3.7Å; Y180-H192 AromaticContact CZ-NE2 3.91Å; Y180-H192 PolarHBondContact OH-NE2 3.24Å; L189-H192 WeakPolarHBondContact O-CB 3.15Å; L189-H192 PolarHBondContact O-N 3.05Å; F190-H192 VanDerWaalsContact C-N 3.33Å; F190-H192 PolarHBondContact O-N 3.21Å; H192-S194 VanDerWaalsContact C-N 3.33Å; H192-S194 PolarHBondContact O-N 2.89Å; H192-L195 PolarHBondContact O-N 3.42Å; H192-M196 WeakPolarHBondContact O-CB 2.99Å; H192-M196 PolarHBondContact O-N 3Å; H192-M196 VanDerWaalsContact O-N 3.09Å
193	V	98.3	Very high	95.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.3	-39.4	178.9	176.9	0	0	0	0	110.7	M173 W177 L189 F190 L195 M196 T197 I334	M173-V193 HydrophobicContact SD-CB 4.46Å; M173-V193 HydrophobicContact SD-CG2 3.95Å; W177-V193 HydrophobicContact CZ2-CG2 4.47Å; L189-V193 HydrophobicContact CD1-CG2 3.7Å; L189-V193 WeakPolarHBondContact O-CG2 3.32Å; L189-V193 PolarHBondContact O-N 3.05Å; F190-V193 PolarHBondContact O-N 3.36Å; V193-L195 PolarHBondContact O-N 3.39Å; V193-M196 HydrophobicContact CG1-CE 4.21Å; V193-M196 PolarHBondContact O-N 3.19Å; V193-M196 VanDerWaalsContact O-N 3.16Å; V193-T197 HydrophobicContact CG1-CG2 4.22Å; V193-T197 WeakPolarHBondContact O-CG2 3.37Å; V193-T197 PolarHBondContact O-N 2.94Å; V193-T197 PolarHBondContact O-OG1 3.26Å; V193-I334 HydrophobicContact CG1-CB 3.68Å; V193-I334 HydrophobicContact CG1-CD1 4.19Å; V193-I334 HydrophobicContact CG1-CG2 3.67Å; V193-I334 HydrophobicContact CG2-CG2 4.08Å
194	S	97.3	Very high	95.7	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.8	-36.2	178.1	-70.4	0	0	0	0	114.4	F190 E191 H192 M196 T197 L198 Y226 S331	F190-S194 WeakPolarHBondContact CE1-OG 3.37Å; F190-S194 WeakPolarHBondContact O-CB 3.49Å; F190-S194 PolarHBondContact O-N 2.87Å; F190-S194 PolarHBondContact O-OG 3.38Å; E191-S194 PolarHBondContact O-N 3.5Å; H192-S194 VanDerWaalsContact C-N 3.33Å; H192-S194 PolarHBondContact O-N 2.89Å; S194-M196 VanDerWaalsContact C-N 3.33Å; S194-T197 PolarHBondContact O-OG1 3.06Å; S194-L198 VanDerWaalsContact O-CB 3.27Å; S194-L198 WeakPolarHBondContact O-CB 3.33Å; S194-L198 PolarHBondContact O-N 3.31Å; S194-L198 VanDerWaalsContact O-N 3.17Å; S194-Y226 WeakPolarHBondContact CB-OH 3.48Å; S194-Y226 PolarHBondContact OG-OH 2.93Å; S194-S331 VanDerWaalsContact CA-OG 3.29Å; S194-S331 WeakPolarHBondContact CA-OG 3.49Å; S194-S331 VanDerWaalsContact OG-CB 3.26Å; S194-S331 WeakPolarHBondContact OG-CB 3.41Å; S194-S331 PolarHBondContact OG-OG 3.48Å
195	L	97.3	Very high	96.2	Very high	15 Å²	15	19.4 Å²	19.4	8%	0.079	10%	0.095	C	C	.	.	H	α-helix	trans	-67	-39.2	171.6	-67.3	165.8	0	0	0	111.1	E191 H192 V193 D199 C212 Q213 N219 I222	E191-L195 HydrophobicContact CG-CD1 4.45Å; E191-L195 WeakPolarHBondContact O-CG 3.03Å; E191-L195 PolarHBondContact O-N 3.04Å; E191-L195 VanDerWaalsContact O-N 3.14Å; H192-L195 PolarHBondContact O-N 3.42Å; V193-L195 PolarHBondContact O-N 3.39Å; L195-D199 WeakPolarHBondContact O-CB 3.09Å; L195-D199 PolarHBondContact O-N 3.29Å; L195-C212 WeakPolarHBondContact CD2-O 3.38Å; L195-C212 PolarHBondContact O-SG 2.97Å; L195-Q213 HydrophobicContact CB-CG 4.13Å; L195-N219 HydrophobicContact CD2-CB 3.54Å; L195-I222 HydrophobicContact CB-CD1 4.47Å; L195-I222 HydrophobicContact CD2-CD1 3.47Å; L195-I222 VanDerWaalsContact CD2-CD1 3.47Å; L195-I222 HydrophobicContact CG-CD1 3.91Å
196	M	98.1	Very high	96.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-67.6	-46	-179.3	-179.4	-75.4	-58.2	0	0	112.6	S169 M173 H192 V193 S194 L198 D199 S200 I334 V476	S169-M196 WeakPolarHBondContact O-CG 3.46Å; M173-M196 HydrophobicContact CB-CB 3.99Å; M173-M196 HydrophobicContact CB-CG 3.91Å; M173-M196 HydrophobicContact CG-CB 4.22Å; M173-M196 HydrophobicContact CG-CG 4.5Å; M173-M196 HydrophobicContact SD-CB 3.7Å; M173-M196 HydrophobicContact SD-CE 4.39Å; M173-M196 HydrophobicContact SD-CG 3.99Å; H192-M196 WeakPolarHBondContact O-CB 2.99Å; H192-M196 PolarHBondContact O-N 3Å; H192-M196 VanDerWaalsContact O-N 3.09Å; V193-M196 HydrophobicContact CG1-CE 4.21Å; V193-M196 PolarHBondContact O-N 3.19Å; V193-M196 VanDerWaalsContact O-N 3.16Å; S194-M196 VanDerWaalsContact C-N 3.33Å; M196-L198 VanDerWaalsContact C-N 3.35Å; M196-D199 PolarHBondContact O-N 3.12Å; M196-S200 WeakPolarHBondContact O-CB 3.37Å; M196-S200 PolarHBondContact O-N 3.38Å; M196-I334 HydrophobicContact CE-CD1 3.65Å; M196-V476 HydrophobicContact CE-CB 4.26Å; M196-V476 HydrophobicContact CE-CG1 3.8Å; M196-V476 HydrophobicContact CE-CG2 3.51Å; M196-V476 HydrophobicContact SD-CG2 3.81Å
197	T	98.4	Very high	96.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-68	-35.3	177.7	55.5	0	0	0	0	111.9	V193 S194 S200 I201 H327 T330 S331 I334	V193-T197 HydrophobicContact CG1-CG2 4.22Å; V193-T197 WeakPolarHBondContact O-CG2 3.37Å; V193-T197 PolarHBondContact O-N 2.94Å; V193-T197 PolarHBondContact O-OG1 3.26Å; S194-T197 PolarHBondContact O-OG1 3.06Å; T197-S200 PolarHBondContact O-N 3.5Å; T197-I201 WeakPolarHBondContact O-CG2 3.23Å; T197-I201 PolarHBondContact O-N 3.34Å; T197-H327 PolarHBondContact OG1-O 3.42Å; T197-T330 WeakPolarHBondContact CG2-OG1 3.43Å; T197-S331 PolarHBondContact OG1-OG 3.36Å; T197-I334 HydrophobicContact CG2-CD1 3.79Å
198	L	97.8	Very high	96.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.3	-46.8	173	179.2	57.5	0	0	0	110.8	S194 M196 S200 I201 M202 Y221 I222 M323 H327	S194-L198 VanDerWaalsContact O-CB 3.27Å; S194-L198 WeakPolarHBondContact O-CB 3.33Å; S194-L198 PolarHBondContact O-N 3.31Å; S194-L198 VanDerWaalsContact O-N 3.17Å; M196-L198 VanDerWaalsContact C-N 3.35Å; L198-S200 PolarHBondContact O-N 3.27Å; L198-I201 HydrophobicContact CD1-CG2 4.42Å; L198-I201 VanDerWaalsContact O-CG2 3.27Å; L198-I201 WeakPolarHBondContact O-CG2 3.36Å; L198-M202 HydrophobicContact CD1-CE 4.25Å; L198-M202 HydrophobicContact CD1-CG 4.36Å; L198-M202 HydrophobicContact CD1-SD 4.38Å; L198-M202 HydrophobicContact CG-CE 3.8Å; L198-M202 WeakPolarHBondContact O-CB 3.19Å; L198-M202 WeakPolarHBondContact O-CE 3.26Å; L198-M202 WeakPolarHBondContact O-CG 3.32Å; L198-M202 PolarHBondContact O-N 3.05Å; L198-Y221 HydrophobicContact CD1-CD1 3.95Å; L198-Y221 HydrophobicContact CD1-CE1 3.83Å; L198-Y221 HydrophobicContact CD2-CD1 3.74Å; L198-Y221 HydrophobicContact CD2-CE1 4.4Å; L198-I222 HydrophobicContact CB-CD1 4.45Å; L198-I222 HydrophobicContact CD2-CD1 3.86Å; L198-I222 HydrophobicContact CD2-CG1 3.61Å; L198-M323 HydrophobicContact CD1-CG 4.42Å; L198-M323 HydrophobicContact CD1-SD 3.92Å; L198-H327 HydrophobicContact CB-CB 4.27Å
199	D	97	Very high	95.7	Very high	4 Å²	4	17.6 Å²	17.6	2%	0.021	9%	0.093	C	C	.	.	H	α-helix	trans	-61	-43.7	175.7	-173	46.6	0	0	0	112.4	S169 L195 M196 M202 K203 S210 Q213	S169-D199 PolarHBondContact OG-OD2 3.47Å; L195-D199 WeakPolarHBondContact O-CB 3.09Å; L195-D199 PolarHBondContact O-N 3.29Å; M196-D199 PolarHBondContact O-N 3.12Å; D199-M202 PolarHBondContact O-N 3.26Å; D199-K203 WeakPolarHBondContact O-CG 3.22Å; D199-K203 PolarHBondContact O-N 3.48Å; D199-K203 VanDerWaalsContact OD1-CE 3.28Å; D199-K203 WeakPolarHBondContact OD1-CE 2.97Å; D199-K203 IonicContact OD1-NZ 3.69Å; D199-K203 VanDerWaalsContact OD2-CE 3.25Å; D199-K203 WeakPolarHBondContact OD2-CE 3.07Å; D199-K203 IonicContact OD2-NZ 3.01Å; D199-K203 PolarHBondContact OD2-NZ 2.88Å; D199-S210 PolarHBondContact OD1-OG 2.66Å; D199-Q213 HydrophobicContact CB-CG 3.91Å; D199-Q213 PolarHBondContact OD2-NE2 3.37Å
200	S	97.4	Very high	95	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.1	-50.8	177.4	173.7	0	0	0	0	111.9	M166 M196 T197 L198 M202 K203 C204 E472	M166-S200 WeakPolarHBondContact CG-OG 3.49Å; M196-S200 WeakPolarHBondContact O-CB 3.37Å; M196-S200 PolarHBondContact O-N 3.38Å; T197-S200 PolarHBondContact O-N 3.5Å; L198-S200 PolarHBondContact O-N 3.27Å; S200-M202 VanDerWaalsContact C-N 3.34Å; S200-M202 PolarHBondContact O-N 2.78Å; S200-K203 PolarHBondContact O-N 3.16Å; S200-C204 WeakPolarHBondContact O-CB 3.46Å; S200-C204 PolarHBondContact O-N 3.11Å; S200-C204 PolarHBondContact O-SG 2.7Å; S200-E472 WeakPolarHBondContact CB-OE1 3.33Å; S200-E472 PolarHBondContact OG-OE1 2.87Å
201	I	97.1	Very high	94.6	Very high	8 Å²	8	23.3 Å²	23.3	4%	0.041	13%	0.126	C	C	.	.	H	α-helix	trans	-65.8	-37.1	-180	-167.5	66.2	0	0	0	111.7	T197 L198 C204 A205 F206 M323 H327 F468	T197-I201 WeakPolarHBondContact O-CG2 3.23Å; T197-I201 PolarHBondContact O-N 3.34Å; L198-I201 HydrophobicContact CD1-CG2 4.42Å; L198-I201 VanDerWaalsContact O-CG2 3.27Å; L198-I201 WeakPolarHBondContact O-CG2 3.36Å; I201-C204 PolarHBondContact O-N 2.97Å; I201-A205 HydrophobicContact CD1-CB 3.54Å; I201-A205 HydrophobicContact CG1-CB 4.03Å; I201-A205 WeakPolarHBondContact O-CB 3.43Å; I201-A205 PolarHBondContact O-N 3.32Å; I201-F206 HydrophobicContact CG1-CD2 4.32Å; I201-F206 HydrophobicContact CG1-CE2 3.98Å; I201-F206 PolarHBondContact O-N 3.37Å; I201-M323 HydrophobicContact CG2-SD 4.3Å; I201-H327 HydrophobicContact CG2-CB 4.05Å; I201-F468 HydrophobicContact CD1-CE1 3.83Å; I201-F468 HydrophobicContact CD1-CE2 4.16Å; I201-F468 HydrophobicContact CD1-CZ 3.59Å
202	M	96.1	Very high	94.5	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.02	11%	0.107	C	C	.	.	H	α-helix	trans	-63.3	-44	176.4	-77	-172.7	-61.9	0	0	111.9	L198 D199 S200 F206 S207 C208 S210 C212 M323	L198-M202 HydrophobicContact CD1-CE 4.25Å; L198-M202 HydrophobicContact CD1-CG 4.36Å; L198-M202 HydrophobicContact CD1-SD 4.38Å; L198-M202 HydrophobicContact CG-CE 3.8Å; L198-M202 WeakPolarHBondContact O-CB 3.19Å; L198-M202 WeakPolarHBondContact O-CE 3.26Å; L198-M202 WeakPolarHBondContact O-CG 3.32Å; L198-M202 PolarHBondContact O-N 3.05Å; D199-M202 PolarHBondContact O-N 3.26Å; S200-M202 VanDerWaalsContact C-N 3.34Å; S200-M202 PolarHBondContact O-N 2.78Å; M202-F206 CarbonylContact O-C 3.34Å; M202-F206 WeakPolarHBondContact O-CA 3.23Å; M202-F206 WeakPolarHBondContact O-CB 2.97Å; M202-F206 PolarHBondContact O-N 3.11Å; M202-S207 PolarHBondContact O-N 2.67Å; M202-S207 VanDerWaalsContact O-N 3.09Å; M202-C208 CarbonylContact C-O 3.54Å; M202-C208 HydrophobicContact CB-CB 4.45Å; M202-C208 WeakPolarHBondContact CB-O 3.36Å; M202-C208 PolarHBondContact O-N 3.26Å; M202-S210 WeakPolarHBondContact CE-OG 3.35Å; M202-C212 HydrophobicContact CE-CB 4.45Å; M202-M323 HydrophobicContact CG-CE 4.16Å; M202-M323 HydrophobicContact CG-SD 3.89Å
203	K	95.4	Very high	94.3	Very high	32 Å²	32	19 Å²	19	14%	0.139	11%	0.106	C	C	.	.	H	α-helix	trans	-65.4	-45.3	176.6	-72.1	175.1	-171.6	164.4	0	112.2	L165 S169 D199 S200 C208	L165-K203 HydrophobicContact CB-CB 4.48Å; L165-K203 HydrophobicContact CD1-CB 4.39Å; S169-K203 PolarHBondContact OG-NZ 3Å; D199-K203 WeakPolarHBondContact O-CG 3.22Å; D199-K203 PolarHBondContact O-N 3.48Å; D199-K203 VanDerWaalsContact OD1-CE 3.28Å; D199-K203 WeakPolarHBondContact OD1-CE 2.97Å; D199-K203 IonicContact OD1-NZ 3.69Å; D199-K203 VanDerWaalsContact OD2-CE 3.25Å; D199-K203 WeakPolarHBondContact OD2-CE 3.07Å; D199-K203 IonicContact OD2-NZ 3.01Å; D199-K203 PolarHBondContact OD2-NZ 2.88Å; S200-K203 PolarHBondContact O-N 3.16Å; K203-C208 WeakPolarHBondContact CA-O 3.36Å; K203-C208 PolarHBondContact N-O 3.49Å
204	C	95.3	Very high	94	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-76.7	-64.2	-174.2	-62.7	0	0	0	0	111.9	Y162 S200 I201 F468	Y162-C204 HydrophobicContact CD1-CB 3.77Å; Y162-C204 HydrophobicContact CD2-CB 3.65Å; Y162-C204 HydrophobicContact CE1-CB 4Å; Y162-C204 VanDerWaalsContact CE1-O 3.3Å; Y162-C204 WeakPolarHBondContact CE1-O 3.39Å; Y162-C204 HydrophobicContact CE2-CB 3.86Å; Y162-C204 HydrophobicContact CG-CB 3.61Å; Y162-C204 PolarHBondContact OH-O 2.9Å; S200-C204 WeakPolarHBondContact O-CB 3.46Å; S200-C204 PolarHBondContact O-N 3.11Å; S200-C204 PolarHBondContact O-SG 2.7Å; I201-C204 PolarHBondContact O-N 2.97Å; C204-F468 HydrophobicContact CB-CE2 3.7Å; C204-F468 HydrophobicContact CB-CZ 4.23Å
205	A	94.1	Very high	93.5	Very high	5 Å²	5	29 Å²	29	4%	0.041	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-32.3	-169.4	0	0	0	0	0	112.9	I201 F295 L296	I201-A205 HydrophobicContact CD1-CB 3.54Å; I201-A205 HydrophobicContact CG1-CB 4.03Å; I201-A205 WeakPolarHBondContact O-CB 3.43Å; I201-A205 PolarHBondContact O-N 3.32Å; A205-F295 HydrophobicContact CB-CB 3.83Å; A205-F295 HydrophobicContact CB-CG 4.47Å; A205-F295 WeakPolarHBondContact O-CB 3.49Å; A205-F295 PolarHBondContact O-N 2.83Å; A205-L296 PolarHBondContact O-N 3.5Å
206	F	94.5	Very high	92.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-104	1.2	-175.2	-61.1	-80.2	0	0	0	113.8	I201 M202 C208 V270 F295 L296 V319 F322 M323	I201-F206 HydrophobicContact CG1-CD2 4.32Å; I201-F206 HydrophobicContact CG1-CE2 3.98Å; I201-F206 PolarHBondContact O-N 3.37Å; M202-F206 CarbonylContact O-C 3.34Å; M202-F206 WeakPolarHBondContact O-CA 3.23Å; M202-F206 WeakPolarHBondContact O-CB 2.97Å; M202-F206 PolarHBondContact O-N 3.11Å; F206-C208 HydrophobicContact CB-CB 4.26Å; F206-C208 PolarHBondContact O-N 2.97Å; F206-V270 HydrophobicContact CB-CG1 3.92Å; F206-V270 HydrophobicContact CD1-CG1 4.06Å; F206-V270 HydrophobicContact CG-CG1 4.18Å; F206-F295 HydrophobicContact CE1-CD1 4.16Å; F206-F295 HydrophobicContact CE1-CE1 4.26Å; F206-F295 HydrophobicContact CZ-CD1 4.35Å; F206-F295 HydrophobicContact CZ-CE1 4.39Å; F206-L296 HydrophobicContact CB-CD2 4.32Å; F206-L296 HydrophobicContact CD1-CB 3.93Å; F206-L296 HydrophobicContact CD1-CD1 4.42Å; F206-L296 HydrophobicContact CD1-CD2 4.08Å; F206-L296 HydrophobicContact CD1-CG 4.37Å; F206-V319 HydrophobicContact CD1-CG1 4.4Å; F206-V319 HydrophobicContact CE1-CB 4.24Å; F206-V319 HydrophobicContact CE1-CG1 3.75Å; F206-V319 HydrophobicContact CE1-CG2 4.13Å; F206-V319 HydrophobicContact CZ-CG1 4.43Å; F206-F322 HydrophobicContact CZ-CB 4.12Å; F206-M323 HydrophobicContact CD1-CE 4.15Å; F206-M323 HydrophobicContact CD2-CE 3.63Å; F206-M323 HydrophobicContact CD2-SD 3.94Å; F206-M323 HydrophobicContact CE1-CE 4.16Å; F206-M323 HydrophobicContact CE2-CB 4.25Å; F206-M323 HydrophobicContact CE2-CE 3.62Å; F206-M323 HydrophobicContact CE2-SD 3.66Å; F206-M323 HydrophobicContact CG-CE 3.91Å; F206-M323 HydrophobicContact CZ-CB 4.1Å; F206-M323 HydrophobicContact CZ-CE 3.89Å; F206-M323 HydrophobicContact CZ-SD 4.3Å
207	S	92.1	Very high	90.9	Very high	28 Å²	28	35.6 Å²	35.6	20%	0.196	23%	0.23	C	C	.	.			trans	46.7	37.5	-177.2	-41.9	0	0	0	0	112.2	M202 D294	M202-S207 PolarHBondContact O-N 2.67Å; M202-S207 VanDerWaalsContact O-N 3.09Å; S207-D294 VanDerWaalsContact OG-CB 3.28Å; S207-D294 WeakPolarHBondContact OG-CB 3.47Å; S207-D294 PolarHBondContact OG-OD2 3.21Å
208	C	91.3	Very high	89.9	Confident	20 Å²	20	40 Å²	40	14%	0.135	26%	0.258	C	S	.	.			trans	-121.7	118.8	-172.4	-170.3	0	0	0	0	109	M202 K203 F206	M202-C208 CarbonylContact C-O 3.54Å; M202-C208 HydrophobicContact CB-CB 4.45Å; M202-C208 WeakPolarHBondContact CB-O 3.36Å; M202-C208 PolarHBondContact O-N 3.26Å; K203-C208 WeakPolarHBondContact CA-O 3.36Å; K203-C208 PolarHBondContact N-O 3.49Å; F206-C208 HydrophobicContact CB-CB 4.26Å; F206-C208 PolarHBondContact O-N 2.97Å
209	N	87.7	Confident	89.6	Confident	136 Å²	136	41.3 Å²	41.3	73%	0.727	27%	0.265	S	S	*	.			trans	-81	126.8	171.6	-67.6	-57.5	0	0	0	109
210	S	83.2	Confident	89.5	Confident	25 Å²	25	44.1 Å²	44.1	18%	0.175	29%	0.288	C	S	.	.			trans	-115.7	159	170.9	89.5	0	0	0	0	110.1	D199 M202 C212	D199-S210 PolarHBondContact OD1-OG 2.66Å; M202-S210 WeakPolarHBondContact CE-OG 3.35Å; S210-C212 PolarHBondContact OG-N 3.07Å; S210-C212 PolarHBondContact OG-SG 2.97Å
211	N	87.1	Confident	89.4	Confident	106 Å²	106	44.3 Å²	44.3	57%	0.567	29%	0.289	S	S	*	.			trans	-107.3	26	166.3	-62	-44.4	0	0	0	110.6	Q213 T214 E215	N211-Q213 PolarHBondContact O-N 2.85Å; N211-T214 PolarHBondContact O-N 2.88Å; N211-T214 PolarHBondContact O-OG1 3.36Å; N211-E215 HydrophobicContact CB-CG 4.03Å; N211-E215 WeakPolarHBondContact O-CG 3.46Å; N211-E215 PolarHBondContact O-N 2.62Å
212	C	91.7	Very high	89.3	Confident	9 Å²	9	44.5 Å²	44.5	6%	0.061	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.7	-169.6	68.9	0	0	0	0	113.1	L195 M202 S210 N219	L195-C212 WeakPolarHBondContact CD2-O 3.38Å; L195-C212 PolarHBondContact O-SG 2.97Å; M202-C212 HydrophobicContact CE-CB 4.45Å; S210-C212 PolarHBondContact OG-N 3.07Å; S210-C212 PolarHBondContact OG-SG 2.97Å; C212-N219 WeakPolarHBondContact CB-ND2 3.34Å
213	Q	94	Very high	89.3	Confident	6 Å²	6	50.9 Å²	50.9	3%	0.028	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-28.4	175.2	-59.7	-164.7	58.3	0	0	113.9	S169 T172 K176 L195 D199 N211	S169-Q213 PolarHBondContact O-NE2 2.99Å; S169-Q213 PolarHBondContact O-OE1 3.32Å; T172-Q213 HydrophobicContact CG2-CB 3.91Å; T172-Q213 HydrophobicContact CG2-CG 4.48Å; K176-Q213 WeakPolarHBondContact CE-O 3.27Å; K176-Q213 PolarHBondContact NZ-O 2.65Å; L195-Q213 HydrophobicContact CB-CG 4.13Å; D199-Q213 HydrophobicContact CB-CG 3.91Å; D199-Q213 PolarHBondContact OD2-NE2 3.37Å; N211-Q213 PolarHBondContact O-N 2.85Å
214	T	91.2	Very high	89.4	Confident	89 Å²	89	49.6 Å²	49.6	55%	0.546	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-17	-170.3	53.7	0	0	0	0	113.4	T172 N211 G216	T172-T214 HydrophobicContact CG2-CG2 3.91Å; N211-T214 PolarHBondContact O-N 2.88Å; N211-T214 PolarHBondContact O-OG1 3.36Å; T214-G216 PolarHBondContact O-N 3.45Å
215	E	86	Confident	89.5	Confident	123 Å²	123	49.6 Å²	49.6	58%	0.575	31%	0.313	S	S	*	.	S	Bend	trans	-58.9	132.3	170.4	-77.7	172.1	-166.9	0	0	110.2	N211	N211-E215 HydrophobicContact CB-CG 4.03Å; N211-E215 WeakPolarHBondContact O-CG 3.46Å; N211-E215 PolarHBondContact O-N 2.62Å
216	G	69.9	Low	89.6	Confident	82 Å²	82	52.1 Å²	52.1	85%	0.845	32%	0.322	S	S	*	.	S	Bend	trans	-68.4	144.2	-179.7	0	0	0	0	0	112.3	T214	T214-G216 PolarHBondContact O-N 3.45Å
217	G	72.8	Confident	89.7	Confident	70 Å²	70	54 Å²	54	72%	0.722	33%	0.33	S	S	*	.	S	Bend	trans	91.2	-176.9	178.1	0	0	0	0	0	113.8
218	T	76.5	Confident	90	Very high	94 Å²	94	52.6 Å²	52.6	58%	0.577	32%	0.321	S	S	*	.			trans	-80.4	126	-179.2	-49.3	0	0	0	0	110.5	A220 K223	T218-A220 PolarHBondContact O-N 3.26Å; T218-K223 HydrophobicContact CG2-CB 4.28Å; T218-K223 HydrophobicContact CG2-CD 4.32Å
219	N	91.7	Very high	90.3	Very high	27 Å²	27	51.7 Å²	51.7	14%	0.144	32%	0.315	C	S	.	.			trans	-59.7	120.1	174.8	-177.6	-77	0	0	0	111.2	L195 C212 Y221 I222 K223	L195-N219 HydrophobicContact CD2-CB 3.54Å; C212-N219 WeakPolarHBondContact CB-ND2 3.34Å; N219-Y221 VanDerWaalsContact C-N 3.33Å; N219-Y221 PolarHBondContact O-N 3.28Å; N219-Y221 WeakPolarHBondContact OD1-CB 3.5Å; N219-Y221 PolarHBondContact OD1-N 2.71Å; N219-I222 HydrophobicContact CB-CB 4.34Å; N219-I222 HydrophobicContact CB-CD1 4.32Å; N219-I222 HydrophobicContact CB-CG1 4.31Å; N219-I222 PolarHBondContact O-N 3.33Å; N219-I222 PolarHBondContact OD1-N 2.59Å; N219-K223 PolarHBondContact O-N 3.24Å; N219-K223 VanDerWaalsContact O-N 3.12Å
220	A	94.4	Very high	90.7	Very high	62 Å²	62	47.9 Å²	47.9	51%	0.512	29%	0.294	S	S	.	.	H	α-helix	trans	-65.8	-34.4	-173.2	0	0	0	0	0	113.1	T218 A224 V262	T218-A220 PolarHBondContact O-N 3.26Å; A220-A224 WeakPolarHBondContact O-CB 3.23Å; A220-A224 PolarHBondContact O-N 3.21Å; A220-V262 HydrophobicContact CB-CG1 4.07Å; A220-V262 WeakPolarHBondContact O-CG1 3.2Å
221	Y	95.8	Very high	91.3	Very high	5 Å²	5	46.9 Å²	46.9	2%	0.02	29%	0.287	C	S	.	.	H	α-helix	trans	-67.7	-50.3	178.5	175	-99.8	0	0	0	111.2	L198 N219 K223 A224 V225 A263 H266 M323 H327	L198-Y221 HydrophobicContact CD1-CD1 3.95Å; L198-Y221 HydrophobicContact CD1-CE1 3.83Å; L198-Y221 HydrophobicContact CD2-CD1 3.74Å; L198-Y221 HydrophobicContact CD2-CE1 4.4Å; N219-Y221 VanDerWaalsContact C-N 3.33Å; N219-Y221 PolarHBondContact O-N 3.28Å; N219-Y221 WeakPolarHBondContact OD1-CB 3.5Å; N219-Y221 PolarHBondContact OD1-N 2.71Å; Y221-K223 VanDerWaalsContact C-N 3.3Å; Y221-K223 PolarHBondContact O-N 3.3Å; Y221-A224 WeakPolarHBondContact O-CA 3.46Å; Y221-A224 WeakPolarHBondContact O-CB 2.94Å; Y221-A224 PolarHBondContact O-N 2.81Å; Y221-V225 HydrophobicContact CD1-CG2 4.16Å; Y221-V225 HydrophobicContact CE1-CG2 3.69Å; Y221-V225 HydrophobicContact CE2-CG2 4.1Å; Y221-V225 WeakPolarHBondContact O-CG2 3.4Å; Y221-V225 PolarHBondContact O-N 2.82Å; Y221-A263 HydrophobicContact CD2-CB 4.41Å; Y221-A263 HydrophobicContact CE2-CB 4.19Å; Y221-H266 HydrophobicContact CD2-CB 3.62Å; Y221-H266 AromaticContact CD2-CD2 3.35Å; Y221-H266 WeakPolarHBondContact CD2-CD2 3.49Å; Y221-H266 AromaticContact CD2-CG 3.56Å; Y221-H266 HydrophobicContact CE2-CB 4.36Å; Y221-H266 AromaticContact CE2-CD2 3.72Å; Y221-H266 HydrophobicContact CG-CB 4.26Å; Y221-H266 AromaticContact CG-CD2 3.58Å; Y221-H266 AromaticContact CG-CG 3.81Å; Y221-M323 HydrophobicContact CE1-CG 3.87Å; Y221-M323 HydrophobicContact CE2-CG 4.32Å; Y221-M323 WeakPolarHBondContact OH-CB 3.42Å; Y221-M323 WeakPolarHBondContact OH-CG 3.36Å; Y221-H327 AromaticContact CE1-CE1 3.72Å
222	I	94.9	Very high	91.8	Very high	12 Å²	12	41.9 Å²	41.9	6%	0.062	26%	0.26	C	S	.	.	H	α-helix	trans	-57.7	-45.1	176.8	-66.7	-175.9	0	0	0	110.8	L195 L198 N219 A224 V225 Y226	L195-I222 HydrophobicContact CB-CD1 4.47Å; L195-I222 HydrophobicContact CD2-CD1 3.47Å; L195-I222 VanDerWaalsContact CD2-CD1 3.47Å; L195-I222 HydrophobicContact CG-CD1 3.91Å; L198-I222 HydrophobicContact CB-CD1 4.45Å; L198-I222 HydrophobicContact CD2-CD1 3.86Å; L198-I222 HydrophobicContact CD2-CG1 3.61Å; N219-I222 HydrophobicContact CB-CB 4.34Å; N219-I222 HydrophobicContact CB-CD1 4.32Å; N219-I222 HydrophobicContact CB-CG1 4.31Å; N219-I222 PolarHBondContact O-N 3.33Å; N219-I222 PolarHBondContact OD1-N 2.59Å; I222-A224 VanDerWaalsContact C-N 3.28Å; I222-A224 PolarHBondContact O-N 3.16Å; I222-V225 WeakPolarHBondContact O-CB 3.46Å; I222-V225 PolarHBondContact O-N 3.07Å; I222-Y226 HydrophobicContact CG2-CD1 3.97Å; I222-Y226 HydrophobicContact CG2-CE1 3.39Å; I222-Y226 HydrophobicContact CG2-CE2 4.11Å; I222-Y226 VanDerWaalsContact CG2-CZ 3.47Å; I222-Y226 WeakPolarHBondContact O-CD1 3.45Å; I222-Y226 PolarHBondContact O-N 2.78Å
223	K	95.7	Very high	92	Very high	137 Å²	137	42.4 Å²	42.4	60%	0.596	26%	0.263	S	S	*	.	H	α-helix	trans	-59.8	-39.6	176.4	-172.8	175.8	-177	171.5	0	112.1	T218 N219 Y221 Y226 E227	T218-K223 HydrophobicContact CG2-CB 4.28Å; T218-K223 HydrophobicContact CG2-CD 4.32Å; N219-K223 PolarHBondContact O-N 3.24Å; N219-K223 VanDerWaalsContact O-N 3.12Å; Y221-K223 VanDerWaalsContact C-N 3.3Å; Y221-K223 PolarHBondContact O-N 3.3Å; K223-Y226 PolarHBondContact O-N 2.64Å; K223-E227 WeakPolarHBondContact O-CB 3.47Å; K223-E227 PolarHBondContact O-N 3.39Å
224	A	97.8	Very high	92	Very high	5 Å²	5	43.8 Å²	43.8	4%	0.041	27%	0.27	C	S	.	.	H	α-helix	trans	-65.9	-43.5	175.6	0	0	0	0	0	111.9	A220 Y221 I222 Y226 E227 L228 A259 V262 A263	A220-A224 WeakPolarHBondContact O-CB 3.23Å; A220-A224 PolarHBondContact O-N 3.21Å; Y221-A224 WeakPolarHBondContact O-CA 3.46Å; Y221-A224 WeakPolarHBondContact O-CB 2.94Å; Y221-A224 PolarHBondContact O-N 2.81Å; I222-A224 VanDerWaalsContact C-N 3.28Å; I222-A224 PolarHBondContact O-N 3.16Å; A224-Y226 VanDerWaalsContact C-N 3.33Å; A224-Y226 PolarHBondContact O-N 2.76Å; A224-E227 PolarHBondContact O-N 3.42Å; A224-L228 WeakPolarHBondContact O-CB 3.41Å; A224-L228 WeakPolarHBondContact O-CD1 3.39Å; A224-L228 WeakPolarHBondContact O-CG 3.26Å; A224-L228 PolarHBondContact O-N 3.49Å; A224-A259 HydrophobicContact CB-CB 4.27Å; A224-A259 WeakPolarHBondContact CB-O 3.49Å; A224-V262 HydrophobicContact CB-CB 3.93Å; A224-V262 HydrophobicContact CB-CG1 3.85Å; A224-A263 HydrophobicContact CB-CB 4.48Å
225	V	97.1	Very high	92.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.5	-45.3	174.4	169.4	0	0	0	0	111.1	W130 Y221 I222 E227 L228 T229 F324	W130-V225 HydrophobicContact CH2-CB 4.42Å; W130-V225 HydrophobicContact CH2-CG1 4.01Å; W130-V225 HydrophobicContact CH2-CG2 4.26Å; W130-V225 HydrophobicContact CZ2-CG2 3.95Å; Y221-V225 HydrophobicContact CD1-CG2 4.16Å; Y221-V225 HydrophobicContact CE1-CG2 3.69Å; Y221-V225 HydrophobicContact CE2-CG2 4.1Å; Y221-V225 WeakPolarHBondContact O-CG2 3.4Å; Y221-V225 PolarHBondContact O-N 2.82Å; I222-V225 WeakPolarHBondContact O-CB 3.46Å; I222-V225 PolarHBondContact O-N 3.07Å; V225-E227 PolarHBondContact O-N 2.93Å; V225-L228 PolarHBondContact O-N 3.42Å; V225-T229 HydrophobicContact CG1-CG2 4.31Å; V225-T229 WeakPolarHBondContact O-CB 3.31Å; V225-T229 WeakPolarHBondContact O-CG2 3.29Å; V225-T229 PolarHBondContact O-N 3Å; V225-T229 PolarHBondContact O-OG1 3.05Å; V225-F324 HydrophobicContact CG1-CD2 4.06Å; V225-F324 HydrophobicContact CG1-CE2 4.33Å
226	Y	95.6	Very high	92.6	Very high	58 Å²	58	34.8 Å²	34.8	23%	0.227	22%	0.223	C	C	.	.	H	α-helix	trans	-64.9	-41.8	179.8	-72.6	18.1	0	0	0	111.2	F190 S194 I222 K223 A224 T229 N230	F190-Y226 WeakPolarHBondContact CD1-OH 3.3Å; F190-Y226 HydrophobicContact CE1-CE1 4.47Å; F190-Y226 AromaticContact CE1-CZ 3.96Å; F190-Y226 VanDerWaalsContact CE1-OH 3.24Å; F190-Y226 WeakPolarHBondContact CE1-OH 3.21Å; S194-Y226 WeakPolarHBondContact CB-OH 3.48Å; S194-Y226 PolarHBondContact OG-OH 2.93Å; I222-Y226 HydrophobicContact CG2-CD1 3.97Å; I222-Y226 HydrophobicContact CG2-CE1 3.39Å; I222-Y226 HydrophobicContact CG2-CE2 4.11Å; I222-Y226 VanDerWaalsContact CG2-CZ 3.47Å; I222-Y226 WeakPolarHBondContact O-CD1 3.45Å; I222-Y226 PolarHBondContact O-N 2.78Å; K223-Y226 PolarHBondContact O-N 2.64Å; A224-Y226 VanDerWaalsContact C-N 3.33Å; A224-Y226 PolarHBondContact O-N 2.76Å; Y226-T229 WeakPolarHBondContact CA-OG1 3.45Å; Y226-T229 PolarHBondContact O-OG1 3.25Å; Y226-N230 VanDerWaalsContact O-CB 3.23Å; Y226-N230 WeakPolarHBondContact O-CB 3.32Å; Y226-N230 PolarHBondContact O-N 3.13Å; Y226-N230 PolarHBondContact O-ND2 3.28Å; Y226-N230 VanDerWaalsContact O-ND2 3.12Å
227	E	97.6	Very high	93.7	Very high	39 Å²	39	33.3 Å²	33.3	18%	0.182	19%	0.192	C	C	.	.	H	α-helix	trans	-65	-43.5	176.1	-178.3	68	175	0	0	111.8	K223 A224 V225 N230 L231 R255 A259	K223-E227 WeakPolarHBondContact O-CB 3.47Å; K223-E227 PolarHBondContact O-N 3.39Å; A224-E227 PolarHBondContact O-N 3.42Å; V225-E227 PolarHBondContact O-N 2.93Å; E227-N230 PolarHBondContact O-N 3.12Å; E227-L231 HydrophobicContact CG-CD1 3.79Å; E227-L231 HydrophobicContact CG-CG 4.45Å; E227-L231 WeakPolarHBondContact O-CB 3.46Å; E227-L231 WeakPolarHBondContact O-CG 3.28Å; E227-L231 PolarHBondContact O-N 3.06Å; E227-R255 WeakPolarHBondContact OE1-CB 3.32Å; E227-R255 IonicContact OE1-CZ 2.71Å; E227-R255 IonicContact OE1-NE 3.14Å; E227-R255 PolarHBondContact OE1-NE 3.31Å; E227-R255 IonicContact OE1-NH2 2.66Å; E227-R255 PolarHBondContact OE1-NH2 3.17Å; E227-R255 IonicContact OE2-CZ 3.68Å; E227-R255 IonicContact OE2-NH2 3.81Å; E227-R255 PolarHBondContact OE2-NH2 3.12Å; E227-A259 HydrophobicContact CB-CB 4Å; E227-A259 HydrophobicContact CG-CB 3.8Å
228	L	98.1	Very high	94.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.8	-48.5	178.7	-71.8	163.8	0	0	0	111.5	W130 A224 V225 N230 L231 I232 Y256 A259 A263	W130-L228 HydrophobicContact CD2-CB 4.14Å; W130-L228 HydrophobicContact CD2-CD1 3.77Å; W130-L228 HydrophobicContact CD2-CG 4.42Å; W130-L228 VanDerWaalsContact CE2-CD1 3.5Å; W130-L228 HydrophobicContact CE3-CB 4.06Å; W130-L228 HydrophobicContact CE3-CD1 4.5Å; W130-L228 HydrophobicContact CG-CD1 3.92Å; W130-L228 HydrophobicContact CG-CD2 4.49Å; W130-L228 HydrophobicContact CZ2-CD1 4.01Å; W130-L228 HydrophobicContact CZ3-CB 4.26Å; A224-L228 WeakPolarHBondContact O-CB 3.41Å; A224-L228 WeakPolarHBondContact O-CD1 3.39Å; A224-L228 WeakPolarHBondContact O-CG 3.26Å; A224-L228 PolarHBondContact O-N 3.49Å; V225-L228 PolarHBondContact O-N 3.42Å; L228-N230 VanDerWaalsContact C-N 3.34Å; L228-N230 PolarHBondContact O-N 3.47Å; L228-L231 PolarHBondContact O-N 3.02Å; L228-I232 WeakPolarHBondContact O-CB 3.31Å; L228-I232 VanDerWaalsContact O-CG1 3.24Å; L228-I232 WeakPolarHBondContact O-CG1 3.29Å; L228-I232 PolarHBondContact O-N 3.03Å; L228-Y256 HydrophobicContact CD2-CD2 3.64Å; L228-Y256 HydrophobicContact CD2-CE1 4.47Å; L228-Y256 HydrophobicContact CD2-CE2 3.55Å; L228-Y256 HydrophobicContact CD2-CG 4.17Å; L228-A259 HydrophobicContact CD1-CB 4.37Å; L228-A259 HydrophobicContact CD2-CB 4.02Å; L228-A259 HydrophobicContact CG-CB 3.8Å; L228-A263 HydrophobicContact CD1-CB 3.91Å
229	T	96.8	Very high	95.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62	-40.4	177.5	57.8	0	0	0	0	112	W130 V225 Y226 N233 F324 R499 L500	W130-T229 HydrophobicContact CH2-CG2 4.39Å; W130-T229 HydrophobicContact CZ3-CG2 4.09Å; V225-T229 HydrophobicContact CG1-CG2 4.31Å; V225-T229 WeakPolarHBondContact O-CB 3.31Å; V225-T229 WeakPolarHBondContact O-CG2 3.29Å; V225-T229 PolarHBondContact O-N 3Å; V225-T229 PolarHBondContact O-OG1 3.05Å; Y226-T229 WeakPolarHBondContact CA-OG1 3.45Å; Y226-T229 PolarHBondContact O-OG1 3.25Å; T229-N233 WeakPolarHBondContact O-CB 3.47Å; T229-N233 PolarHBondContact O-N 3.49Å; T229-F324 HydrophobicContact CG2-CE2 3.91Å; T229-F324 HydrophobicContact CG2-CZ 4.24Å; T229-R499 WeakPolarHBondContact CB-O 3.44Å; T229-L500 HydrophobicContact CG2-CB 4.37Å; T229-L500 HydrophobicContact CG2-CD1 3.83Å; T229-L500 HydrophobicContact CG2-CG 4.31Å
230	N	96.1	Very high	95.5	Very high	56 Å²	56	32.5 Å²	32.5	30%	0.299	17%	0.166	S	C	.	.	H	α-helix	trans	-61.1	-48.1	173.1	-75.5	-22.8	0	0	0	112.2	Y226 E227 L228 N233 L234 R499	Y226-N230 VanDerWaalsContact O-CB 3.23Å; Y226-N230 WeakPolarHBondContact O-CB 3.32Å; Y226-N230 PolarHBondContact O-N 3.13Å; Y226-N230 PolarHBondContact O-ND2 3.28Å; Y226-N230 VanDerWaalsContact O-ND2 3.12Å; E227-N230 PolarHBondContact O-N 3.12Å; L228-N230 VanDerWaalsContact C-N 3.34Å; L228-N230 PolarHBondContact O-N 3.47Å; N230-N233 PolarHBondContact O-N 3.18Å; N230-L234 PolarHBondContact O-N 2.93Å; N230-R499 WeakPolarHBondContact OD1-CD 3.39Å; N230-R499 WeakPolarHBondContact OD1-CG 3.28Å; N230-R499 PolarHBondContact OD1-NE 3.34Å
231	L	97.6	Very high	95.6	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-70.7	-34.5	-178	-69.8	170.9	0	0	0	112.5	E227 L228 L234 R235 H252 R255 Y256	E227-L231 HydrophobicContact CG-CD1 3.79Å; E227-L231 HydrophobicContact CG-CG 4.45Å; E227-L231 WeakPolarHBondContact O-CB 3.46Å; E227-L231 WeakPolarHBondContact O-CG 3.28Å; E227-L231 PolarHBondContact O-N 3.06Å; L228-L231 PolarHBondContact O-N 3.02Å; L231-L234 HydrophobicContact CD2-CD2 4.29Å; L231-L234 PolarHBondContact O-N 3.03Å; L231-R235 VanDerWaalsContact O-CB 3.23Å; L231-R235 WeakPolarHBondContact O-CB 3.48Å; L231-R235 PolarHBondContact O-N 3.01Å; L231-H252 HydrophobicContact CD2-CB 3.94Å; L231-R255 HydrophobicContact CD1-CB 3.95Å; L231-Y256 HydrophobicContact CB-CD2 4.2Å; L231-Y256 HydrophobicContact CD1-CD2 4.46Å
232	I	96.9	Very high	95.5	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-64.3	-44.5	171.8	-70.2	164.7	0	0	0	110.1	F126 I127 W130 L228 L234 R235 V236 Y256 L500	F126-I232 HydrophobicContact CB-CG2 4.07Å; I127-I232 HydrophobicContact CG1-CD1 4.43Å; I127-I232 HydrophobicContact CG1-CG2 4.16Å; W130-I232 HydrophobicContact CE3-CD1 3.89Å; L228-I232 WeakPolarHBondContact O-CB 3.31Å; L228-I232 VanDerWaalsContact O-CG1 3.24Å; L228-I232 WeakPolarHBondContact O-CG1 3.29Å; L228-I232 PolarHBondContact O-N 3.03Å; I232-L234 PolarHBondContact O-N 2.93Å; I232-R235 WeakPolarHBondContact O-CB 3.47Å; I232-R235 PolarHBondContact O-N 3.44Å; I232-R235 VanDerWaalsContact O-N 3.16Å; I232-V236 WeakPolarHBondContact O-CG2 3.41Å; I232-V236 PolarHBondContact O-N 2.99Å; I232-Y256 HydrophobicContact CD1-CE2 4.42Å; I232-Y256 HydrophobicContact CG1-CE2 4.06Å; I232-L500 HydrophobicContact CD1-CD1 4.13Å; I232-L500 HydrophobicContact CG2-CD1 4.31Å; I232-L500 HydrophobicContact CG2-CD2 3.96Å; I232-L500 HydrophobicContact CG2-CG 4.47Å
233	N	95.1	Very high	95.5	Very high	20 Å²	20	34 Å²	34	11%	0.107	17%	0.167	C	C	.	.	H	α-helix	trans	-62	-43.3	175.6	-178.3	-89	0	0	0	112.2	Q70 T229 N230 R235 V236 R237 P498 R499	Q70-N233 PolarHBondContact OE1-OD1 2.84Å; T229-N233 WeakPolarHBondContact O-CB 3.47Å; T229-N233 PolarHBondContact O-N 3.49Å; N230-N233 PolarHBondContact O-N 3.18Å; N233-R235 VanDerWaalsContact C-N 3.28Å; N233-R235 PolarHBondContact O-N 3.34Å; N233-V236 PolarHBondContact O-N 3.19Å; N233-R237 WeakPolarHBondContact O-CG 3.49Å; N233-R237 PolarHBondContact O-N 2.71Å; N233-R237 WeakPolarHBondContact OD1-CD 3.4Å; N233-P498 PolarHBondContact ND2-O 3.31Å; N233-P498 VanDerWaalsContact ND2-O 3.07Å; N233-R499 PolarHBondContact OD1-NH1 2.84Å
234	L	95.4	Very high	95.5	Very high	35 Å²	35	30.1 Å²	30.1	18%	0.183	15%	0.152	C	C	.	.	H	α-helix	trans	-57.5	-44.3	173	175.7	64.1	0	0	0	111	N230 L231 I232 V236 R237 M238 Y241 H252	N230-L234 PolarHBondContact O-N 2.93Å; L231-L234 HydrophobicContact CD2-CD2 4.29Å; L231-L234 PolarHBondContact O-N 3.03Å; I232-L234 PolarHBondContact O-N 2.93Å; L234-V236 PolarHBondContact O-N 3.39Å; L234-R237 PolarHBondContact O-N 3.19Å; L234-R237 VanDerWaalsContact O-N 3.17Å; L234-M238 HydrophobicContact CD1-CB 4.5Å; L234-M238 HydrophobicContact CD1-CE 4.09Å; L234-M238 VanDerWaalsContact O-CB 3.31Å; L234-M238 WeakPolarHBondContact O-CB 3.4Å; L234-M238 PolarHBondContact O-N 3.4Å; L234-Y241 HydrophobicContact CD2-CD2 4.46Å; L234-Y241 HydrophobicContact CD2-CE2 4.02Å; L234-Y241 HydrophobicContact CG-CD2 4.27Å; L234-Y241 HydrophobicContact CG-CE2 4.25Å; L234-H252 HydrophobicContact CD2-CB 4.25Å; L234-H252 WeakPolarHBondContact CD2-CD2 3.43Å
235	R	95.6	Very high	95.4	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-62	-42.6	-179.8	-173.8	168.7	-172.7	-155.7	-8.6	112.4	F126 L231 I232 N233 R237 Y241 H242 D244 F247	F126-R235 HydrophobicContact CD1-CG 4.22Å; F126-R235 VanDerWaalsContact CD1-NH1 3.33Å; F126-R235 HydrophobicContact CD2-CB 4.3Å; F126-R235 HydrophobicContact CD2-CG 3.83Å; F126-R235 HydrophobicContact CE1-CG 4.26Å; F126-R235 VanDerWaalsContact CE1-CZ 3.43Å; F126-R235 HydrophobicContact CE2-CG 3.89Å; F126-R235 HydrophobicContact CG-CG 4.01Å; F126-R235 HydrophobicContact CZ-CG 4.11Å; L231-R235 VanDerWaalsContact O-CB 3.23Å; L231-R235 WeakPolarHBondContact O-CB 3.48Å; L231-R235 PolarHBondContact O-N 3.01Å; I232-R235 WeakPolarHBondContact O-CB 3.47Å; I232-R235 PolarHBondContact O-N 3.44Å; I232-R235 VanDerWaalsContact O-N 3.16Å; N233-R235 VanDerWaalsContact C-N 3.28Å; N233-R235 PolarHBondContact O-N 3.34Å; R235-R237 VanDerWaalsContact C-N 3.29Å; R235-R237 PolarHBondContact O-N 3.25Å; R235-Y241 VanDerWaalsContact CG-O 3.29Å; R235-Y241 WeakPolarHBondContact CG-O 3.38Å; R235-Y241 PolarHBondContact NE-O 3.06Å; R235-H242 PolarHBondContact O-CD2 3.34Å; R235-H242 PolarHBondContact O-NE2 3.12Å; R235-D244 IonicContact CZ-OD1 2.66Å; R235-D244 IonicContact NH1-OD1 3.23Å; R235-D244 IonicContact NH2-OD1 2.63Å; R235-D244 PolarHBondContact NH2-OD1 3.48Å; R235-F247 HydrophobicContact CB-CE2 4.35Å; R235-F247 HydrophobicContact CG-CD2 4.35Å
236	V	94.4	Very high	95.3	Very high	22 Å²	22	39.6 Å²	39.6	13%	0.133	20%	0.201	C	C	.	.	H	α-helix	trans	-59	-41.7	173.5	170	0	0	0	0	111.5	F93 F122 F126 I232 N233 L234 H242	F93-V236 HydrophobicContact CD1-CG1 3.77Å; F93-V236 HydrophobicContact CE1-CG1 3.84Å; F122-V236 HydrophobicContact CE1-CG1 3.98Å; F122-V236 HydrophobicContact CZ-CG1 4.2Å; F126-V236 HydrophobicContact CD2-CG2 3.77Å; F126-V236 HydrophobicContact CE2-CG2 4.03Å; I232-V236 WeakPolarHBondContact O-CG2 3.41Å; I232-V236 PolarHBondContact O-N 2.99Å; N233-V236 PolarHBondContact O-N 3.19Å; L234-V236 PolarHBondContact O-N 3.39Å; V236-H242 PolarHBondContact O-NE2 3.06Å
237	R	92.8	Very high	95.4	Very high	51 Å²	51	36.8 Å²	36.8	19%	0.192	19%	0.19	C	C	.	.	H	α-helix	trans	-81.9	-26.8	-174.2	-68.9	176.7	64.6	-116.1	-2.4	113.5	V65 F68 Q70 N233 L234 R235	V65-R237 HydrophobicContact CG1-CB 3.8Å; V65-R237 HydrophobicContact CG1-CG 4.33Å; V65-R237 WeakPolarHBondContact CG1-O 3.49Å; V65-R237 WeakPolarHBondContact CG2-O 3.45Å; F68-R237 PolarHBondContact O-NH2 3.37Å; Q70-R237 VanDerWaalsContact CG-NH2 3.25Å; N233-R237 WeakPolarHBondContact O-CG 3.49Å; N233-R237 PolarHBondContact O-N 2.71Å; N233-R237 WeakPolarHBondContact OD1-CD 3.4Å; L234-R237 PolarHBondContact O-N 3.19Å; L234-R237 VanDerWaalsContact O-N 3.17Å; R235-R237 VanDerWaalsContact C-N 3.29Å; R235-R237 PolarHBondContact O-N 3.25Å
238	M	92.9	Very high	95.3	Very high	72 Å²	72	37.6 Å²	37.6	36%	0.355	19%	0.194	S	C	.	.			trans	-100.4	99.2	-176.7	-175.2	167	-70.8	0	0	110.9	L234 P240 Y241	L234-M238 HydrophobicContact CD1-CB 4.5Å; L234-M238 HydrophobicContact CD1-CE 4.09Å; L234-M238 VanDerWaalsContact O-CB 3.31Å; L234-M238 WeakPolarHBondContact O-CB 3.4Å; L234-M238 PolarHBondContact O-N 3.4Å; M238-P240 VanDerWaalsContact C-N 3.33Å; M238-P240 VanDerWaalsContact O-N 3.14Å; M238-Y241 HydrophobicContact CB-CD2 3.92Å; M238-Y241 HydrophobicContact CB-CG 4.13Å; M238-Y241 HydrophobicContact CG-CD1 4.28Å; M238-Y241 HydrophobicContact CG-CD2 3.92Å; M238-Y241 HydrophobicContact CG-CE2 4.29Å; M238-Y241 HydrophobicContact CG-CG 3.92Å; M238-Y241 WeakPolarHBondContact O-CA 3.42Å; M238-Y241 VanDerWaalsContact O-CB 3.32Å; M238-Y241 WeakPolarHBondContact O-CB 3.37Å; M238-Y241 PolarHBondContact O-N 3.38Å; M238-Y241 HydrophobicContact SD-CD1 4.06Å; M238-Y241 HydrophobicContact SD-CD2 3.56Å; M238-Y241 VanDerWaalsContact SD-CD2 3.56Å; M238-Y241 HydrophobicContact SD-CE1 3.8Å; M238-Y241 HydrophobicContact SD-CE2 3.3Å; M238-Y241 WeakPolarHBondContact SD-CE2 3.35Å; M238-Y241 HydrophobicContact SD-CG 3.94Å
239	F	91.9	Very high	95.3	Very high	56 Å²	56	44.2 Å²	44.2	25%	0.246	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-54.5	-34.5	-172.6	89.1	-94.2	0	0	0	115.6	L61 F62 P95 Y241 H242	L61-F239 HydrophobicContact CD1-CD1 4.45Å; L61-F239 HydrophobicContact CD1-CE1 3.66Å; L61-F239 HydrophobicContact CD1-CE2 4.2Å; L61-F239 HydrophobicContact CD1-CZ 3.51Å; L61-F239 HydrophobicContact CD2-CE1 4.06Å; L61-F239 HydrophobicContact CD2-CZ 4.32Å; L61-F239 HydrophobicContact CG-CD1 4.36Å; L61-F239 HydrophobicContact CG-CE1 3.58Å; L61-F239 HydrophobicContact CG-CZ 3.95Å; F62-F239 HydrophobicContact CD1-CD1 4.22Å; F62-F239 HydrophobicContact CD1-CE1 4.37Å; F62-F239 HydrophobicContact CE1-CD1 4.31Å; F62-F239 HydrophobicContact CE1-CE1 4.08Å; P95-F239 HydrophobicContact CG-CD2 4.38Å; F239-Y241 PolarHBondContact O-N 2.95Å; F239-H242 VanDerWaalsContact O-CB 3.28Å; F239-H242 WeakPolarHBondContact O-CB 3.36Å; F239-H242 VanDerWaalsContact O-CG 3.27Å; F239-H242 PolarHBondContact O-N 3.47Å; F239-H242 VanDerWaalsContact O-N 3.12Å
240	P	93.4	Very high	95.4	Very high	46 Å²	46	44.9 Å²	44.9	30%	0.299	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-62.3	-30.3	173.8	-23.9	36.6	0	0	0	112.5	M238 H242 S243 I246	M238-P240 VanDerWaalsContact C-N 3.33Å; M238-P240 VanDerWaalsContact O-N 3.14Å; P240-H242 PolarHBondContact O-N 2.93Å; P240-S243 PolarHBondContact O-N 3.03Å; P240-I246 HydrophobicContact CB-CG2 4.15Å; P240-I246 WeakPolarHBondContact O-CB 3.3Å
241	Y	96	Very high	95.4	Very high	27 Å²	27	47 Å²	47	11%	0.106	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-77.7	-4.6	178.9	-66.3	-5.5	0	0	0	113.4	L234 R235 M238 F239 S243 I246 F247 H252	L234-Y241 HydrophobicContact CD2-CD2 4.46Å; L234-Y241 HydrophobicContact CD2-CE2 4.02Å; L234-Y241 HydrophobicContact CG-CD2 4.27Å; L234-Y241 HydrophobicContact CG-CE2 4.25Å; R235-Y241 VanDerWaalsContact CG-O 3.29Å; R235-Y241 WeakPolarHBondContact CG-O 3.38Å; R235-Y241 PolarHBondContact NE-O 3.06Å; M238-Y241 HydrophobicContact CB-CD2 3.92Å; M238-Y241 HydrophobicContact CB-CG 4.13Å; M238-Y241 HydrophobicContact CG-CD1 4.28Å; M238-Y241 HydrophobicContact CG-CD2 3.92Å; M238-Y241 HydrophobicContact CG-CE2 4.29Å; M238-Y241 HydrophobicContact CG-CG 3.92Å; M238-Y241 WeakPolarHBondContact O-CA 3.42Å; M238-Y241 VanDerWaalsContact O-CB 3.32Å; M238-Y241 WeakPolarHBondContact O-CB 3.37Å; M238-Y241 PolarHBondContact O-N 3.38Å; M238-Y241 HydrophobicContact SD-CD1 4.06Å; M238-Y241 HydrophobicContact SD-CD2 3.56Å; M238-Y241 VanDerWaalsContact SD-CD2 3.56Å; M238-Y241 HydrophobicContact SD-CE1 3.8Å; M238-Y241 HydrophobicContact SD-CE2 3.3Å; M238-Y241 WeakPolarHBondContact SD-CE2 3.35Å; M238-Y241 HydrophobicContact SD-CG 3.94Å; F239-Y241 PolarHBondContact O-N 2.95Å; Y241-S243 PolarHBondContact O-N 3.06Å; Y241-I246 HydrophobicContact CD1-CG2 4.2Å; Y241-I246 HydrophobicContact CE1-CG2 4.47Å; Y241-F247 HydrophobicContact CD1-CD2 4.35Å; Y241-F247 AromaticContact CD2-CD2 3.73Å; Y241-F247 HydrophobicContact CD2-CD2 3.73Å; Y241-F247 HydrophobicContact CD2-CE2 4.16Å; Y241-F247 HydrophobicContact CE2-CD2 4.28Å; Y241-F247 HydrophobicContact CG-CB 4.49Å; Y241-F247 AromaticContact CG-CD2 3.77Å; Y241-F247 HydrophobicContact CG-CD2 3.77Å; Y241-H252 HydrophobicContact CE2-CB 3.93Å; Y241-H252 AromaticContact CE2-CG 3.93Å; Y241-H252 AromaticContact CE2-ND1 3.58Å; Y241-H252 AromaticContact CZ-ND1 3.62Å; Y241-H252 PolarHBondContact OH-ND1 3.43Å
242	H	94.8	Very high	95.5	Very high	34 Å²	34	49.3 Å²	49.3	16%	0.157	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-62.8	-27.4	168.2	-59.9	179.9	0	0	0	111.1	F93 F122 F126 R235 V236 F239 P240	F93-H242 PolarHBondContact O-CE1 2.87Å; F93-H242 VanDerWaalsContact O-CE1 3.31Å; F122-H242 AromaticContact CE2-CD2 3.64Å; F122-H242 AromaticContact CE2-CE1 3.42Å; F122-H242 VanDerWaalsContact CE2-CE1 3.42Å; F122-H242 WeakPolarHBondContact CE2-CE1 3.45Å; F122-H242 AromaticContact CE2-CG 3.72Å; F122-H242 AromaticContact CE2-ND1 3.6Å; F122-H242 AromaticContact CE2-NE2 3.47Å; F122-H242 WeakPolarHBondContact CE2-NE2 3.44Å; F122-H242 AromaticContact CZ-CD2 4Å; F122-H242 AromaticContact CZ-CE1 3.44Å; F122-H242 VanDerWaalsContact CZ-CE1 3.44Å; F122-H242 WeakPolarHBondContact CZ-CE1 3.46Å; F122-H242 AromaticContact CZ-NE2 3.38Å; F122-H242 WeakPolarHBondContact CZ-NE2 3.41Å; F126-H242 HydrophobicContact CZ-CB 4.38Å; R235-H242 PolarHBondContact O-CD2 3.34Å; R235-H242 PolarHBondContact O-NE2 3.12Å; V236-H242 PolarHBondContact O-NE2 3.06Å; F239-H242 VanDerWaalsContact O-CB 3.28Å; F239-H242 WeakPolarHBondContact O-CB 3.36Å; F239-H242 VanDerWaalsContact O-CG 3.27Å; F239-H242 PolarHBondContact O-N 3.47Å; F239-H242 VanDerWaalsContact O-N 3.12Å; P240-H242 PolarHBondContact O-N 2.93Å
243	S	94.1	Very high	95.5	Very high	49 Å²	49	49.2 Å²	49.2	34%	0.343	26%	0.26	S	S	.	.	S	Bend	trans	-76.6	125.1	169.6	178.1	0	0	0	0	111.2	P240 Y241 L245 I246 F247	P240-S243 PolarHBondContact O-N 3.03Å; Y241-S243 PolarHBondContact O-N 3.06Å; S243-L245 VanDerWaalsContact C-N 3.28Å; S243-L245 PolarHBondContact O-N 3.34Å; S243-L245 PolarHBondContact OG-N 2.8Å; S243-I246 PolarHBondContact O-N 3.35Å; S243-F247 WeakPolarHBondContact O-CB 3.49Å; S243-F247 PolarHBondContact O-N 2.92Å
244	D	95.3	Very high	95.7	Very high	55 Å²	55	54.5 Å²	54.5	29%	0.294	28%	0.282	S	S	.	.	H	α-helix	trans	-56.8	-43.4	174.1	-61.3	-52.9	0	0	0	111.3	K125 R235 F247 H248	K125-D244 WeakPolarHBondContact CE-OD2 3.21Å; K125-D244 IonicContact NZ-OD1 2.76Å; K125-D244 IonicContact NZ-OD2 2.71Å; K125-D244 PolarHBondContact NZ-OD2 2.92Å; R235-D244 IonicContact CZ-OD1 2.66Å; R235-D244 IonicContact NH1-OD1 3.23Å; R235-D244 IonicContact NH2-OD1 2.63Å; R235-D244 PolarHBondContact NH2-OD1 3.48Å; D244-F247 PolarHBondContact O-N 3.26Å; D244-H248 WeakPolarHBondContact O-CB 3.46Å; D244-H248 PolarHBondContact O-CD2 3.15Å; D244-H248 PolarHBondContact O-N 3.31Å
245	L	95.1	Very high	95.8	Very high	120 Å²	120	58.2 Å²	58.2	63%	0.628	29%	0.294	S	S	*	.	H	α-helix	trans	-60.7	-52.5	-179.5	179.7	63.7	0	0	0	111.5	S243 F247 H248 L249	S243-L245 VanDerWaalsContact C-N 3.28Å; S243-L245 PolarHBondContact O-N 3.34Å; S243-L245 PolarHBondContact OG-N 2.8Å; L245-F247 PolarHBondContact O-N 2.9Å; L245-H248 PolarHBondContact O-N 2.68Å; L245-L249 HydrophobicContact CD1-CD1 3.68Å; L245-L249 HydrophobicContact CD1-CG 4.18Å; L245-L249 HydrophobicContact CG-CD1 3.98Å; L245-L249 WeakPolarHBondContact O-CB 3.46Å; L245-L249 VanDerWaalsContact O-CG 3.26Å; L245-L249 WeakPolarHBondContact O-CG 3.47Å; L245-L249 PolarHBondContact O-N 3.4Å
246	I	96.5	Very high	96	Very high	84 Å²	84	58.4 Å²	58.4	43%	0.431	29%	0.294	S	S	.	.	H	α-helix	trans	-63.7	-44.4	-178.5	-61.3	176.7	0	0	0	110.1	P240 Y241 S243 L249 S250	P240-I246 HydrophobicContact CB-CG2 4.15Å; P240-I246 WeakPolarHBondContact O-CB 3.3Å; Y241-I246 HydrophobicContact CD1-CG2 4.2Å; Y241-I246 HydrophobicContact CE1-CG2 4.47Å; S243-I246 PolarHBondContact O-N 3.35Å; I246-L249 PolarHBondContact O-N 3.1Å; I246-S250 PolarHBondContact O-N 3.43Å
247	F	97.8	Very high	96.1	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.6	-51.2	179	179.6	-110.9	0	0	0	111	R235 Y241 S243 D244 L245 L249 S250 H252 G253 Y256	R235-F247 HydrophobicContact CB-CE2 4.35Å; R235-F247 HydrophobicContact CG-CD2 4.35Å; Y241-F247 HydrophobicContact CD1-CD2 4.35Å; Y241-F247 AromaticContact CD2-CD2 3.73Å; Y241-F247 HydrophobicContact CD2-CD2 3.73Å; Y241-F247 HydrophobicContact CD2-CE2 4.16Å; Y241-F247 HydrophobicContact CE2-CD2 4.28Å; Y241-F247 HydrophobicContact CG-CB 4.49Å; Y241-F247 AromaticContact CG-CD2 3.77Å; Y241-F247 HydrophobicContact CG-CD2 3.77Å; S243-F247 WeakPolarHBondContact O-CB 3.49Å; S243-F247 PolarHBondContact O-N 2.92Å; D244-F247 PolarHBondContact O-N 3.26Å; L245-F247 PolarHBondContact O-N 2.9Å; F247-L249 VanDerWaalsContact C-N 3.32Å; F247-L249 PolarHBondContact O-N 3.42Å; F247-S250 WeakPolarHBondContact O-CB 3.47Å; F247-S250 PolarHBondContact O-N 3.27Å; F247-S250 PolarHBondContact O-OG 3.17Å; F247-H252 HydrophobicContact CE2-CB 4.09Å; F247-G253 WeakPolarHBondContact O-CA 3.42Å; F247-G253 PolarHBondContact O-N 3.29Å; F247-Y256 HydrophobicContact CE1-CD1 4.18Å; F247-Y256 HydrophobicContact CE1-CD2 4.04Å; F247-Y256 AromaticContact CE1-CG 3.74Å; F247-Y256 HydrophobicContact CE1-CG 3.74Å; F247-Y256 HydrophobicContact CZ-CD2 4.02Å; F247-Y256 AromaticContact CZ-CG 3.97Å; F247-Y256 HydrophobicContact CZ-CG 3.97Å
248	H	95.9	Very high	96.4	Very high	56 Å²	56	66.4 Å²	66.4	26%	0.259	33%	0.326	S	S	.	.	H	α-helix	trans	-69.8	-24.8	-176	-72.8	-50.8	0	0	0	114.2	D244 L245 S250 R257	D244-H248 WeakPolarHBondContact O-CB 3.46Å; D244-H248 PolarHBondContact O-CD2 3.15Å; D244-H248 PolarHBondContact O-N 3.31Å; L245-H248 PolarHBondContact O-N 2.68Å; H248-S250 VanDerWaalsContact C-N 3.32Å; H248-R257 PolarHBondContact O-NH1 3.32Å; H248-R257 PolarHBondContact O-NH2 3.35Å; H248-R257 VanDerWaalsContact O-NH2 3.1Å
249	L	97.1	Very high	96.6	Very high	139 Å²	139	63.3 Å²	63.3	73%	0.728	31%	0.312	S	S	*	.	H	α-helix	trans	-79.5	-15.3	171.7	-67.2	175.6	0	0	0	113.1	L245 I246 F247	L245-L249 HydrophobicContact CD1-CD1 3.68Å; L245-L249 HydrophobicContact CD1-CG 4.18Å; L245-L249 HydrophobicContact CG-CD1 3.98Å; L245-L249 WeakPolarHBondContact O-CB 3.46Å; L245-L249 VanDerWaalsContact O-CG 3.26Å; L245-L249 WeakPolarHBondContact O-CG 3.47Å; L245-L249 PolarHBondContact O-N 3.4Å; I246-L249 PolarHBondContact O-N 3.1Å; F247-L249 VanDerWaalsContact C-N 3.32Å; F247-L249 PolarHBondContact O-N 3.42Å
250	S	97.9	Very high	96.9	Very high	14 Å²	14	63.5 Å²	63.5	10%	0.098	31%	0.311	C	S	.	.	S	Bend	trans	-79.1	161.7	179.4	80.2	0	0	0	0	113.2	I246 F247 H248 H252 G253 F254	I246-S250 PolarHBondContact O-N 3.43Å; F247-S250 WeakPolarHBondContact O-CB 3.47Å; F247-S250 PolarHBondContact O-N 3.27Å; F247-S250 PolarHBondContact O-OG 3.17Å; H248-S250 VanDerWaalsContact C-N 3.32Å; S250-H252 PolarHBondContact O-N 3.03Å; S250-H252 PolarHBondContact OG-N 3.37Å; S250-G253 PolarHBondContact O-N 3Å; S250-G253 VanDerWaalsContact O-N 3.1Å; S250-G253 PolarHBondContact OG-N 3.47Å; S250-G253 VanDerWaalsContact OG-N 3.1Å; S250-F254 PolarHBondContact O-N 2.87Å; S250-F254 VanDerWaalsContact O-N 3.09Å
251	P	98.1	Very high	97.1	Very high	100 Å²	100	67.9 Å²	67.9	65%	0.649	33%	0.326	S	S	*	.	H	α-helix	trans	-56.4	-34.2	170.1	-25.8	35.2	0	0	0	113.4	F254 R255	P251-F254 PolarHBondContact O-N 2.99Å; P251-R255 WeakPolarHBondContact O-CG 3.24Å; P251-R255 PolarHBondContact O-N 3.2Å
252	H	98.3	Very high	97.2	Very high	53 Å²	53	69.2 Å²	69.2	25%	0.245	34%	0.337	C	S	.	.	H	α-helix	trans	-67.5	-38.8	176.4	-65.2	107	0	0	0	112	L231 L234 Y241 F247 S250 F254 R255 Y256	L231-H252 HydrophobicContact CD2-CB 3.94Å; L234-H252 HydrophobicContact CD2-CB 4.25Å; L234-H252 WeakPolarHBondContact CD2-CD2 3.43Å; Y241-H252 HydrophobicContact CE2-CB 3.93Å; Y241-H252 AromaticContact CE2-CG 3.93Å; Y241-H252 AromaticContact CE2-ND1 3.58Å; Y241-H252 AromaticContact CZ-ND1 3.62Å; Y241-H252 PolarHBondContact OH-ND1 3.43Å; F247-H252 HydrophobicContact CE2-CB 4.09Å; S250-H252 PolarHBondContact O-N 3.03Å; S250-H252 PolarHBondContact OG-N 3.37Å; H252-F254 VanDerWaalsContact C-N 3.33Å; H252-F254 PolarHBondContact O-N 3.12Å; H252-R255 PolarHBondContact O-N 2.99Å; H252-Y256 WeakPolarHBondContact O-CB 3.39Å; H252-Y256 PolarHBondContact O-N 3.15Å
253	G	98	Very high	97.4	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-66.9	-32.9	173.5	0	0	0	0	0	113.4	F247 S250 R257	F247-G253 WeakPolarHBondContact O-CA 3.42Å; F247-G253 PolarHBondContact O-N 3.29Å; S250-G253 PolarHBondContact O-N 3Å; S250-G253 VanDerWaalsContact O-N 3.1Å; S250-G253 PolarHBondContact OG-N 3.47Å; S250-G253 VanDerWaalsContact OG-N 3.1Å; G253-R257 WeakPolarHBondContact O-CG 3.35Å; G253-R257 PolarHBondContact O-N 2.7Å; G253-R257 PolarHBondContact O-NH1 3.43Å
254	F	97.9	Very high	97.4	Very high	130 Å²	130	67.6 Å²	67.6	57%	0.57	32%	0.324	S	S	*	.	H	α-helix	trans	-64.6	-48.2	171.3	177.1	-94.2	0	0	0	111.7	S250 P251 H252 Y256 R257 K258	S250-F254 PolarHBondContact O-N 2.87Å; S250-F254 VanDerWaalsContact O-N 3.09Å; P251-F254 PolarHBondContact O-N 2.99Å; H252-F254 VanDerWaalsContact C-N 3.33Å; H252-F254 PolarHBondContact O-N 3.12Å; F254-Y256 VanDerWaalsContact C-N 3.31Å; F254-Y256 PolarHBondContact O-N 3.09Å; F254-R257 PolarHBondContact O-N 2.93Å; F254-K258 PolarHBondContact O-N 3.41Å; F254-K258 VanDerWaalsContact O-N 3.08Å
255	R	98.5	Very high	97.5	Very high	114 Å²	114	68.4 Å²	68.4	43%	0.43	33%	0.334	S	S	.	.	H	α-helix	trans	-57.6	-43.7	174.6	-72.3	171.4	59.5	178.6	-0.1	111.7	E227 L231 P251 H252 R257 K258 A259	E227-R255 WeakPolarHBondContact OE1-CB 3.32Å; E227-R255 IonicContact OE1-CZ 2.71Å; E227-R255 IonicContact OE1-NE 3.14Å; E227-R255 PolarHBondContact OE1-NE 3.31Å; E227-R255 IonicContact OE1-NH2 2.66Å; E227-R255 PolarHBondContact OE1-NH2 3.17Å; E227-R255 IonicContact OE2-CZ 3.68Å; E227-R255 IonicContact OE2-NH2 3.81Å; E227-R255 PolarHBondContact OE2-NH2 3.12Å; L231-R255 HydrophobicContact CD1-CB 3.95Å; P251-R255 WeakPolarHBondContact O-CG 3.24Å; P251-R255 PolarHBondContact O-N 3.2Å; H252-R255 PolarHBondContact O-N 2.99Å; R255-R257 PolarHBondContact O-N 3.03Å; R255-K258 PolarHBondContact O-N 3.38Å; R255-A259 PolarHBondContact O-N 2.88Å
256	Y	98.5	Very high	97.5	Very high	5 Å²	5	64.5 Å²	64.5	2%	0.02	31%	0.312	C	S	.	.	H	α-helix	trans	-56.6	-51.1	176	-179.1	-86.8	0	0	0	111.6	S129 W130 L228 L231 I232 F247 H252 F254 K258 A259 Y260	S129-Y256 WeakPolarHBondContact CB-OH 3.4Å; S129-Y256 PolarHBondContact O-OH 3.23Å; W130-Y256 WeakPolarHBondContact CA-OH 3.41Å; W130-Y256 VanDerWaalsContact CB-OH 3.29Å; W130-Y256 WeakPolarHBondContact CB-OH 3.14Å; W130-Y256 PolarHBondContact N-OH 2.79Å; W130-Y256 VanDerWaalsContact N-OH 3.17Å; L228-Y256 HydrophobicContact CD2-CD2 3.64Å; L228-Y256 HydrophobicContact CD2-CE1 4.47Å; L228-Y256 HydrophobicContact CD2-CE2 3.55Å; L228-Y256 HydrophobicContact CD2-CG 4.17Å; L231-Y256 HydrophobicContact CB-CD2 4.2Å; L231-Y256 HydrophobicContact CD1-CD2 4.46Å; I232-Y256 HydrophobicContact CD1-CE2 4.42Å; I232-Y256 HydrophobicContact CG1-CE2 4.06Å; F247-Y256 HydrophobicContact CE1-CD1 4.18Å; F247-Y256 HydrophobicContact CE1-CD2 4.04Å; F247-Y256 AromaticContact CE1-CG 3.74Å; F247-Y256 HydrophobicContact CE1-CG 3.74Å; F247-Y256 HydrophobicContact CZ-CD2 4.02Å; F247-Y256 AromaticContact CZ-CG 3.97Å; F247-Y256 HydrophobicContact CZ-CG 3.97Å; H252-Y256 WeakPolarHBondContact O-CB 3.39Å; H252-Y256 PolarHBondContact O-N 3.15Å; F254-Y256 VanDerWaalsContact C-N 3.31Å; F254-Y256 PolarHBondContact O-N 3.09Å; Y256-K258 VanDerWaalsContact C-N 3.28Å; Y256-K258 PolarHBondContact O-N 3.23Å; Y256-A259 PolarHBondContact O-N 3.07Å; Y256-Y260 VanDerWaalsContact O-CB 3.27Å; Y256-Y260 WeakPolarHBondContact O-CB 3.18Å; Y256-Y260 PolarHBondContact O-N 3.2Å
257	R	97.8	Very high	97.5	Very high	95 Å²	95	60.5 Å²	60.5	36%	0.358	29%	0.292	S	S	.	.	H	α-helix	trans	-61.3	-35.9	178.7	-74.2	-171.4	-62.7	-83.1	1	112.7	H248 G253 F254 R255 K261	H248-R257 PolarHBondContact O-NH1 3.32Å; H248-R257 PolarHBondContact O-NH2 3.35Å; H248-R257 VanDerWaalsContact O-NH2 3.1Å; G253-R257 WeakPolarHBondContact O-CG 3.35Å; G253-R257 PolarHBondContact O-N 2.7Å; G253-R257 PolarHBondContact O-NH1 3.43Å; F254-R257 PolarHBondContact O-N 2.93Å; R255-R257 PolarHBondContact O-N 3.03Å; R257-K261 WeakPolarHBondContact O-CG 3.47Å; R257-K261 PolarHBondContact O-N 2.7Å
258	K	98.2	Very high	97.3	Very high	146 Å²	146	63.1 Å²	63.1	64%	0.635	31%	0.306	S	S	*	.	H	α-helix	trans	-65.9	-48.1	176.7	-174	178.2	179.3	179	0	111.1	F254 R255 Y256 K261 V262	F254-K258 PolarHBondContact O-N 3.41Å; F254-K258 VanDerWaalsContact O-N 3.08Å; R255-K258 PolarHBondContact O-N 3.38Å; Y256-K258 VanDerWaalsContact C-N 3.28Å; Y256-K258 PolarHBondContact O-N 3.23Å; K258-K261 PolarHBondContact O-N 3.19Å; K258-V262 PolarHBondContact O-N 3.33Å
259	A	98.4	Very high	97.3	Very high	7 Å²	7	65 Å²	65	6%	0.058	32%	0.315	C	S	.	.	H	α-helix	trans	-64.3	-43.2	177.3	0	0	0	0	0	111.7	A224 E227 L228 R255 Y256 K261 V262 A263	A224-A259 HydrophobicContact CB-CB 4.27Å; A224-A259 WeakPolarHBondContact CB-O 3.49Å; E227-A259 HydrophobicContact CB-CB 4Å; E227-A259 HydrophobicContact CG-CB 3.8Å; L228-A259 HydrophobicContact CD1-CB 4.37Å; L228-A259 HydrophobicContact CD2-CB 4.02Å; L228-A259 HydrophobicContact CG-CB 3.8Å; R255-A259 PolarHBondContact O-N 2.88Å; Y256-A259 PolarHBondContact O-N 3.07Å; A259-K261 VanDerWaalsContact C-N 3.34Å; A259-K261 PolarHBondContact O-N 3.02Å; A259-V262 WeakPolarHBondContact O-CB 3.12Å; A259-V262 PolarHBondContact O-N 2.97Å; A259-V262 VanDerWaalsContact O-N 3.1Å; A259-A263 PolarHBondContact O-N 2.99Å
260	Y	98	Very high	97.2	Very high	59 Å²	59	58.7 Å²	58.7	23%	0.231	28%	0.282	C	S	.	.	H	α-helix	trans	-54.8	-47.5	174.9	170	-97.3	0	0	0	111.9	W130 Y256 V262 A263 Q264	W130-Y260 WeakPolarHBondContact O-CE2 3.26Å; Y256-Y260 VanDerWaalsContact O-CB 3.27Å; Y256-Y260 WeakPolarHBondContact O-CB 3.18Å; Y256-Y260 PolarHBondContact O-N 3.2Å; Y260-V262 VanDerWaalsContact C-N 3.28Å; Y260-V262 PolarHBondContact O-N 3.34Å; Y260-A263 PolarHBondContact O-N 3.38Å; Y260-Q264 HydrophobicContact CE1-CB 4.42Å; Y260-Q264 WeakPolarHBondContact O-CB 3.49Å; Y260-Q264 PolarHBondContact O-N 3.09Å; Y260-Q264 PolarHBondContact OH-NE2 3.29Å
261	K	98.1	Very high	97	Very high	138 Å²	138	58.6 Å²	58.6	60%	0.6	28%	0.28	S	S	*	.	H	α-helix	trans	-59.9	-37.7	177.7	-77.5	-179.3	176.8	-169.6	0	112.8	R257 K258 A259 S265	R257-K261 WeakPolarHBondContact O-CG 3.47Å; R257-K261 PolarHBondContact O-N 2.7Å; K258-K261 PolarHBondContact O-N 3.19Å; A259-K261 VanDerWaalsContact C-N 3.34Å; A259-K261 PolarHBondContact O-N 3.02Å; K261-S265 VanDerWaalsContact O-CB 3.32Å; K261-S265 WeakPolarHBondContact O-CB 3.49Å; K261-S265 PolarHBondContact O-N 2.87Å; K261-S265 PolarHBondContact O-OG 3.43Å
262	V	98.1	Very high	96.8	Very high	56 Å²	56	60 Å²	60	34%	0.339	28%	0.276	S	S	.	.	H	α-helix	trans	-67	-46.3	176.4	174.3	0	0	0	0	110.4	A220 A224 K258 A259 Y260 S265 H266	A220-V262 HydrophobicContact CB-CG1 4.07Å; A220-V262 WeakPolarHBondContact O-CG1 3.2Å; A224-V262 HydrophobicContact CB-CB 3.93Å; A224-V262 HydrophobicContact CB-CG1 3.85Å; K258-V262 PolarHBondContact O-N 3.33Å; A259-V262 WeakPolarHBondContact O-CB 3.12Å; A259-V262 PolarHBondContact O-N 2.97Å; A259-V262 VanDerWaalsContact O-N 3.1Å; Y260-V262 VanDerWaalsContact C-N 3.28Å; Y260-V262 PolarHBondContact O-N 3.34Å; V262-S265 PolarHBondContact O-N 2.89Å; V262-H266 PolarHBondContact O-N 3.49Å; V262-H266 VanDerWaalsContact O-N 3.14Å
263	A	97.3	Very high	96.6	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.8	-47.3	177.7	0	0	0	0	0	111.9	Y221 A224 L228 A259 Y260 S265 H266 T267	Y221-A263 HydrophobicContact CD2-CB 4.41Å; Y221-A263 HydrophobicContact CE2-CB 4.19Å; A224-A263 HydrophobicContact CB-CB 4.48Å; L228-A263 HydrophobicContact CD1-CB 3.91Å; A259-A263 PolarHBondContact O-N 2.99Å; Y260-A263 PolarHBondContact O-N 3.38Å; A263-S265 PolarHBondContact O-N 3.19Å; A263-H266 WeakPolarHBondContact O-CB 3.35Å; A263-H266 PolarHBondContact O-N 3.43Å; A263-T267 PolarHBondContact O-N 2.84Å; A263-T267 PolarHBondContact O-OG1 3.46Å
264	Q	95.8	Very high	96.4	Very high	49 Å²	49	62.9 Å²	62.9	23%	0.229	29%	0.287	C	S	.	.	H	α-helix	trans	-62.4	-42.3	177.6	-174.6	179.7	42.3	0	0	112.2	Y260 H266 T267 D268	Y260-Q264 HydrophobicContact CE1-CB 4.42Å; Y260-Q264 WeakPolarHBondContact O-CB 3.49Å; Y260-Q264 PolarHBondContact O-N 3.09Å; Y260-Q264 PolarHBondContact OH-NE2 3.29Å; Q264-H266 VanDerWaalsContact C-N 3.26Å; Q264-H266 PolarHBondContact O-N 3.26Å; Q264-T267 PolarHBondContact O-N 3.44Å; Q264-T267 PolarHBondContact O-OG1 2.85Å; Q264-T267 VanDerWaalsContact O-OG1 3.06Å; Q264-D268 WeakPolarHBondContact O-CB 3.19Å; Q264-D268 PolarHBondContact O-N 2.86Å
265	S	96.9	Very high	96.1	Very high	72 Å²	72	60.5 Å²	60.5	50%	0.503	28%	0.277	S	S	.	.	H	α-helix	trans	-63.1	-37	179.1	-58.5	0	0	0	0	111.5	K261 V262 A263 E269	K261-S265 VanDerWaalsContact O-CB 3.32Å; K261-S265 WeakPolarHBondContact O-CB 3.49Å; K261-S265 PolarHBondContact O-N 2.87Å; K261-S265 PolarHBondContact O-OG 3.43Å; V262-S265 PolarHBondContact O-N 2.89Å; A263-S265 PolarHBondContact O-N 3.19Å; S265-E269 WeakPolarHBondContact O-CB 3.44Å; S265-E269 PolarHBondContact O-N 2.92Å
266	H	95.4	Very high	95.8	Very high	37 Å²	37	59.4 Å²	59.4	17%	0.171	28%	0.277	C	S	.	.	H	α-helix	trans	-64.5	-47	177.3	-179.1	75.9	0	0	0	111.8	Y221 V262 A263 Q264 E269 V270	Y221-H266 HydrophobicContact CD2-CB 3.62Å; Y221-H266 AromaticContact CD2-CD2 3.35Å; Y221-H266 WeakPolarHBondContact CD2-CD2 3.49Å; Y221-H266 AromaticContact CD2-CG 3.56Å; Y221-H266 HydrophobicContact CE2-CB 4.36Å; Y221-H266 AromaticContact CE2-CD2 3.72Å; Y221-H266 HydrophobicContact CG-CB 4.26Å; Y221-H266 AromaticContact CG-CD2 3.58Å; Y221-H266 AromaticContact CG-CG 3.81Å; V262-H266 PolarHBondContact O-N 3.49Å; V262-H266 VanDerWaalsContact O-N 3.14Å; A263-H266 WeakPolarHBondContact O-CB 3.35Å; A263-H266 PolarHBondContact O-N 3.43Å; Q264-H266 VanDerWaalsContact C-N 3.26Å; Q264-H266 PolarHBondContact O-N 3.26Å; H266-E269 WeakPolarHBondContact O-CB 3.44Å; H266-E269 PolarHBondContact O-N 2.9Å; H266-V270 WeakPolarHBondContact O-CG2 3.34Å; H266-V270 PolarHBondContact O-N 3.44Å
267	T	94.9	Very high	95.5	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-71.1	-37.3	-179.8	50.3	0	0	0	0	112.7	A263 Q264 E269 V270 I271 V319 D320 M323	A263-T267 PolarHBondContact O-N 2.84Å; A263-T267 PolarHBondContact O-OG1 3.46Å; Q264-T267 PolarHBondContact O-N 3.44Å; Q264-T267 PolarHBondContact O-OG1 2.85Å; Q264-T267 VanDerWaalsContact O-OG1 3.06Å; T267-E269 VanDerWaalsContact C-N 3.29Å; T267-E269 PolarHBondContact O-N 2.91Å; T267-V270 PolarHBondContact O-N 3.05Å; T267-I271 VanDerWaalsContact O-CG1 3.31Å; T267-I271 WeakPolarHBondContact O-CG1 3.42Å; T267-I271 PolarHBondContact O-N 3.42Å; T267-V319 HydrophobicContact CG2-CG1 3.9Å; T267-D320 WeakPolarHBondContact CB-OD1 3.28Å; T267-D320 WeakPolarHBondContact CG2-OD1 3.31Å; T267-D320 PolarHBondContact OG1-OD1 3.46Å; T267-M323 HydrophobicContact CG2-CB 4.26Å; T267-M323 HydrophobicContact CG2-CG 4.43Å
268	D	95	Very high	95.1	Very high	56 Å²	56	58 Å²	58	30%	0.299	28%	0.278	S	S	.	.	H	α-helix	trans	-59.1	-40.5	170.6	-78.6	-28.8	0	0	0	111.2	Q264 K272 R316	Q264-D268 WeakPolarHBondContact O-CB 3.19Å; Q264-D268 PolarHBondContact O-N 2.86Å; D268-K272 VanDerWaalsContact O-CB 3.22Å; D268-K272 WeakPolarHBondContact O-CB 3.46Å; D268-K272 PolarHBondContact O-N 2.67Å; D268-R316 IonicContact OD1-CZ 3.34Å; D268-R316 IonicContact OD1-NE 3.6Å; D268-R316 PolarHBondContact OD1-NE 2.73Å; D268-R316 IonicContact OD1-NH2 2.86Å; D268-R316 PolarHBondContact OD1-NH2 3.32Å; D268-R316 VanDerWaalsContact OD1-NH2 3.14Å; D268-R316 IonicContact OD2-NE 3.4Å
269	E	94.8	Very high	94.8	Very high	94 Å²	94	58.9 Å²	58.9	44%	0.439	28%	0.282	S	S	.	.	H	α-helix	trans	-65.2	-43.2	176.6	-170.3	-174.6	163.2	0	0	112.1	S265 H266 T267 K272 K273	S265-E269 WeakPolarHBondContact O-CB 3.44Å; S265-E269 PolarHBondContact O-N 2.92Å; H266-E269 WeakPolarHBondContact O-CB 3.44Å; H266-E269 PolarHBondContact O-N 2.9Å; T267-E269 VanDerWaalsContact C-N 3.29Å; T267-E269 PolarHBondContact O-N 2.91Å; E269-K272 PolarHBondContact O-N 2.85Å; E269-K273 HydrophobicContact CG-CD 4.12Å; E269-K273 HydrophobicContact CG-CG 4.47Å; E269-K273 WeakPolarHBondContact O-CB 3.12Å; E269-K273 WeakPolarHBondContact O-CG 3.41Å; E269-K273 PolarHBondContact O-N 2.88Å; E269-K273 WeakPolarHBondContact OE1-CE 3.41Å; E269-K273 IonicContact OE1-NZ 2.71Å; E269-K273 PolarHBondContact OE1-NZ 3.19Å
270	V	94.6	Very high	94.4	Very high	7 Å²	7	63.7 Å²	63.7	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-60.9	-47.6	176.2	169.8	0	0	0	0	111	F206 H266 T267 K272 K273 R274 L296 M323	F206-V270 HydrophobicContact CB-CG1 3.92Å; F206-V270 HydrophobicContact CD1-CG1 4.06Å; F206-V270 HydrophobicContact CG-CG1 4.18Å; H266-V270 WeakPolarHBondContact O-CG2 3.34Å; H266-V270 PolarHBondContact O-N 3.44Å; T267-V270 PolarHBondContact O-N 3.05Å; V270-K272 VanDerWaalsContact C-N 3.35Å; V270-K272 PolarHBondContact O-N 2.66Å; V270-K273 PolarHBondContact O-N 3.38Å; V270-R274 PolarHBondContact O-N 3.38Å; V270-L296 HydrophobicContact CG1-CD2 4.17Å; V270-M323 HydrophobicContact CB-CE 4.4Å; V270-M323 HydrophobicContact CG1-CE 4.15Å; V270-M323 HydrophobicContact CG2-CE 4Å
271	I	94.5	Very high	93.7	Very high	13 Å²	13	68.8 Å²	68.8	7%	0.067	33%	0.329	C	S	.	.	H	α-helix	trans	-60.2	-47	176.8	-66.7	165	0	0	0	110.3	T267 R274 K275 L296 L315 V319	T267-I271 VanDerWaalsContact O-CG1 3.31Å; T267-I271 WeakPolarHBondContact O-CG1 3.42Å; T267-I271 PolarHBondContact O-N 3.42Å; I271-R274 PolarHBondContact O-N 3.14Å; I271-K275 HydrophobicContact CG2-CD 4.06Å; I271-K275 HydrophobicContact CG2-CG 4.4Å; I271-K275 WeakPolarHBondContact O-CB 3.44Å; I271-K275 WeakPolarHBondContact O-CG 3.48Å; I271-K275 PolarHBondContact O-N 3.34Å; I271-L296 HydrophobicContact CG1-CD1 4.48Å; I271-L315 HydrophobicContact CG2-CD2 4.24Å; I271-V319 HydrophobicContact CD1-CB 4.04Å; I271-V319 HydrophobicContact CD1-CG1 4.14Å; I271-V319 HydrophobicContact CD1-CG2 3.87Å; I271-V319 HydrophobicContact CG1-CB 4.33Å; I271-V319 HydrophobicContact CG1-CG1 4.12Å; I271-V319 HydrophobicContact CG1-CG2 3.86Å
272	K	94.5	Very high	93.3	Very high	128 Å²	128	67.2 Å²	67.2	56%	0.557	33%	0.331	S	S	*	.	H	α-helix	trans	-60.7	-50.9	-179.3	-179.2	-178.4	171.7	-174.6	0	111.5	D268 E269 V270 R274 K275 E276	D268-K272 VanDerWaalsContact O-CB 3.22Å; D268-K272 WeakPolarHBondContact O-CB 3.46Å; D268-K272 PolarHBondContact O-N 2.67Å; E269-K272 PolarHBondContact O-N 2.85Å; V270-K272 VanDerWaalsContact C-N 3.35Å; V270-K272 PolarHBondContact O-N 2.66Å; K272-R274 VanDerWaalsContact C-N 3.3Å; K272-R274 PolarHBondContact O-N 3.04Å; K272-K275 PolarHBondContact O-N 3.19Å; K272-E276 WeakPolarHBondContact CE-OE1 3.34Å; K272-E276 WeakPolarHBondContact O-CG 3.49Å; K272-E276 PolarHBondContact O-N 2.97Å
273	K	93.4	Very high	92.8	Very high	98 Å²	98	66.3 Å²	66.3	43%	0.426	32%	0.324	S	S	.	.	H	α-helix	trans	-56.5	-44.3	177.7	-79.6	174.3	167.4	169.8	0	111.3	E269 V270 E276 V277	E269-K273 HydrophobicContact CG-CD 4.12Å; E269-K273 HydrophobicContact CG-CG 4.47Å; E269-K273 WeakPolarHBondContact O-CB 3.12Å; E269-K273 WeakPolarHBondContact O-CG 3.41Å; E269-K273 PolarHBondContact O-N 2.88Å; E269-K273 WeakPolarHBondContact OE1-CE 3.41Å; E269-K273 IonicContact OE1-NZ 2.71Å; E269-K273 PolarHBondContact OE1-NZ 3.19Å; V270-K273 PolarHBondContact O-N 3.38Å; K273-E276 PolarHBondContact O-N 3.1Å; K273-V277 WeakPolarHBondContact O-CG2 3.49Å; K273-V277 PolarHBondContact O-N 2.97Å
274	R	93.2	Very high	92.2	Very high	16 Å²	16	68.7 Å²	68.7	6%	0.06	34%	0.336	C	S	.	.	H	α-helix	trans	-64.7	-46.8	177.7	-171.6	65.3	-179.9	166.7	-3.5	111.9	V270 I271 K272 E276 V277 L278 L296 D297 L300	V270-R274 PolarHBondContact O-N 3.38Å; I271-R274 PolarHBondContact O-N 3.14Å; K272-R274 VanDerWaalsContact C-N 3.3Å; K272-R274 PolarHBondContact O-N 3.04Å; R274-E276 PolarHBondContact O-N 3.26Å; R274-V277 PolarHBondContact O-N 3.41Å; R274-L278 HydrophobicContact CG-CD1 4.17Å; R274-L278 VanDerWaalsContact O-CG 3.3Å; R274-L278 WeakPolarHBondContact O-CG 3.37Å; R274-L278 PolarHBondContact O-N 3.23Å; R274-L296 HydrophobicContact CB-CD2 3.47Å; R274-L296 VanDerWaalsContact CB-CD2 3.47Å; R274-L296 HydrophobicContact CB-CG 4.39Å; R274-L296 HydrophobicContact CG-CD2 3.58Å; R274-L296 HydrophobicContact CG-CG 4.08Å; R274-D297 IonicContact CZ-OD1 3.79Å; R274-D297 VanDerWaalsContact CZ-OD1 3.25Å; R274-D297 IonicContact CZ-OD2 3.72Å; R274-D297 IonicContact NE-OD1 3.41Å; R274-D297 PolarHBondContact NE-OD1 2.86Å; R274-D297 IonicContact NE-OD2 3.89Å; R274-D297 IonicContact NH2-OD1 3.33Å; R274-D297 PolarHBondContact NH2-OD1 2.88Å; R274-D297 IonicContact NH2-OD2 2.68Å; R274-D297 PolarHBondContact NH2-OD2 3.38Å; R274-L300 HydrophobicContact CG-CD1 3.97Å
275	K	92.3	Very high	91.7	Very high	80 Å²	80	69.8 Å²	69.8	35%	0.348	35%	0.349	S	S	.	.	H	α-helix	trans	-58.7	-34.6	175.8	-75.1	-176.7	177.4	-178	0	112	I271 K272 K279 L300 D312	I271-K275 HydrophobicContact CG2-CD 4.06Å; I271-K275 HydrophobicContact CG2-CG 4.4Å; I271-K275 WeakPolarHBondContact O-CB 3.44Å; I271-K275 WeakPolarHBondContact O-CG 3.48Å; I271-K275 PolarHBondContact O-N 3.34Å; K272-K275 PolarHBondContact O-N 3.19Å; K275-K279 PolarHBondContact O-N 3.48Å; K275-L300 HydrophobicContact CG-CD2 4.16Å; K275-D312 IonicContact NZ-OD1 2.67Å; K275-D312 PolarHBondContact NZ-OD1 3.46Å
276	E	93	Very high	91.3	Very high	92 Å²	92	72.8 Å²	72.8	43%	0.43	35%	0.349	S	S	.	.	H	α-helix	trans	-69.6	-43.6	176.2	-74.8	171.6	178.6	0	0	112.8	K272 K273 R274 L278 K279	K272-E276 WeakPolarHBondContact CE-OE1 3.34Å; K272-E276 WeakPolarHBondContact O-CG 3.49Å; K272-E276 PolarHBondContact O-N 2.97Å; K273-E276 PolarHBondContact O-N 3.1Å; R274-E276 PolarHBondContact O-N 3.26Å; E276-L278 VanDerWaalsContact C-N 3.27Å; E276-L278 PolarHBondContact O-N 3.32Å; E276-K279 WeakPolarHBondContact O-CB 3.13Å; E276-K279 PolarHBondContact O-N 3.44Å; E276-K279 VanDerWaalsContact O-N 3.16Å
277	V	90.8	Very high	90.8	Very high	51 Å²	51	71.1 Å²	71.1	31%	0.309	34%	0.341	S	S	.	.	H	α-helix	trans	-59.7	-40.7	174.1	172.1	0	0	0	0	111	K273 R274 K279 Q280 E283	K273-V277 WeakPolarHBondContact O-CG2 3.49Å; K273-V277 PolarHBondContact O-N 2.97Å; R274-V277 PolarHBondContact O-N 3.41Å; V277-K279 PolarHBondContact O-N 3.31Å; V277-Q280 WeakPolarHBondContact O-CB 3.4Å; V277-Q280 WeakPolarHBondContact O-CG 3.35Å; V277-Q280 PolarHBondContact O-N 2.63Å; V277-Q280 VanDerWaalsContact O-N 3.08Å; V277-E283 HydrophobicContact CG1-CB 4.27Å; V277-E283 HydrophobicContact CG1-CG 4.05Å
278	L	90.3	Very high	90.3	Very high	19 Å²	19	77.6 Å²	77.6	10%	0.099	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-10.2	179.2	-68.9	173.4	0	0	0	114.8	R274 E276 I287 L300 F301	R274-L278 HydrophobicContact CG-CD1 4.17Å; R274-L278 VanDerWaalsContact O-CG 3.3Å; R274-L278 WeakPolarHBondContact O-CG 3.37Å; R274-L278 PolarHBondContact O-N 3.23Å; E276-L278 VanDerWaalsContact C-N 3.27Å; E276-L278 PolarHBondContact O-N 3.32Å; L278-I287 HydrophobicContact CD2-CD1 3.23Å; L278-L300 HydrophobicContact CD1-CD1 3.6Å; L278-F301 HydrophobicContact CD1-CE2 3.84Å; L278-F301 HydrophobicContact CD1-CZ 3.85Å; L278-F301 HydrophobicContact CD2-CE2 4.03Å; L278-F301 HydrophobicContact CD2-CZ 4.01Å; L278-F301 HydrophobicContact CG-CZ 4.46Å
279	K	91.2	Very high	89.7	Confident	164 Å²	164	79 Å²	79	71%	0.713	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-16.9	171	-67.6	175.5	-177.5	177.1	0	112.4	K275 E276 V277 E281	K275-K279 PolarHBondContact O-N 3.48Å; E276-K279 WeakPolarHBondContact O-CB 3.13Å; E276-K279 PolarHBondContact O-N 3.44Å; E276-K279 VanDerWaalsContact O-N 3.16Å; V277-K279 PolarHBondContact O-N 3.31Å; K279-E281 PolarHBondContact O-N 3.46Å
280	Q	90.6	Very high	89.2	Confident	108 Å²	108	78.2 Å²	78.2	51%	0.505	39%	0.386	S	S	.	.	S	Bend	trans	-77.3	118.9	176.5	-57.6	176.5	5.1	0	0	108.8	V277 T282 E283 L284	V277-Q280 WeakPolarHBondContact O-CB 3.4Å; V277-Q280 WeakPolarHBondContact O-CG 3.35Å; V277-Q280 PolarHBondContact O-N 2.63Å; V277-Q280 VanDerWaalsContact O-N 3.08Å; Q280-T282 PolarHBondContact O-N 2.85Å; Q280-E283 HydrophobicContact CB-CB 4.3Å; Q280-E283 HydrophobicContact CB-CG 4.49Å; Q280-E283 PolarHBondContact O-N 3Å; Q280-E283 VanDerWaalsContact O-N 3.1Å; Q280-L284 PolarHBondContact O-N 2.78Å
281	E	84.1	Confident	88.5	Confident	166 Å²	166	87.9 Å²	87.9	78%	0.776	42%	0.422	S	S	*	.	H	α-helix	trans	-56.9	-35.6	-175.3	-69.9	-175.8	167.3	0	0	113.1	K279 S285	K279-E281 PolarHBondContact O-N 3.46Å; E281-S285 VanDerWaalsContact O-CB 3.28Å; E281-S285 WeakPolarHBondContact O-CB 3.11Å; E281-S285 PolarHBondContact O-N 3.32Å; E281-S285 PolarHBondContact O-OG 2.96Å
282	T	88.7	Confident	87.8	Confident	105 Å²	105	90.4 Å²	90.4	64%	0.644	43%	0.431	S	S	*	.	H	α-helix	trans	-61.9	-47.3	177	48.4	0	0	0	0	111.9	Q280 R286	Q280-T282 PolarHBondContact O-N 2.85Å; T282-R286 WeakPolarHBondContact O-CB 3.48Å; T282-R286 PolarHBondContact O-N 3.42Å
283	E	86.7	Confident	87.3	Confident	38 Å²	38	86.1 Å²	86.1	18%	0.178	41%	0.414	C	S	.	.	H	α-helix	trans	-70.6	-41.7	179.3	-77.1	-61	129.5	0	0	111.9	V277 Q280 S285 R286 I287	V277-E283 HydrophobicContact CG1-CB 4.27Å; V277-E283 HydrophobicContact CG1-CG 4.05Å; Q280-E283 HydrophobicContact CB-CB 4.3Å; Q280-E283 HydrophobicContact CB-CG 4.49Å; Q280-E283 PolarHBondContact O-N 3Å; Q280-E283 VanDerWaalsContact O-N 3.1Å; E283-S285 VanDerWaalsContact C-N 3.35Å; E283-S285 PolarHBondContact O-N 2.98Å; E283-R286 WeakPolarHBondContact O-CB 3.31Å; E283-R286 PolarHBondContact O-N 3.1Å; E283-R286 IonicContact OE1-CZ 2.78Å; E283-R286 IonicContact OE1-NE 3Å; E283-R286 PolarHBondContact OE1-NE 2.93Å; E283-R286 IonicContact OE1-NH2 3.06Å; E283-R286 PolarHBondContact OE1-NH2 3.34Å; E283-R286 IonicContact OE2-CZ 2.64Å; E283-R286 VanDerWaalsContact OE2-CZ 3.22Å; E283-R286 IonicContact OE2-NE 2.93Å; E283-R286 PolarHBondContact OE2-NE 3.39Å; E283-R286 IonicContact OE2-NH2 3.99Å; E283-R286 PolarHBondContact OE2-NH2 2.81Å; E283-I287 WeakPolarHBondContact O-CD1 3.49Å; E283-I287 VanDerWaalsContact O-CG1 3.31Å; E283-I287 WeakPolarHBondContact O-CG1 3.4Å; E283-I287 PolarHBondContact O-N 3.18Å
284	L	86.1	Confident	87.2	Confident	50 Å²	50	82.6 Å²	82.6	26%	0.262	40%	0.4	S	S	.	.	H	α-helix	trans	-59.6	-46.6	175.8	-176	62.9	0	0	0	111.3	Q280 R286 I287 Q288 F301	Q280-L284 PolarHBondContact O-N 2.78Å; L284-R286 VanDerWaalsContact C-N 3.34Å; L284-R286 PolarHBondContact O-N 3.3Å; L284-I287 PolarHBondContact O-N 2.75Å; L284-Q288 HydrophobicContact CD1-CG 4.47Å; L284-Q288 WeakPolarHBondContact O-CB 3.4Å; L284-Q288 WeakPolarHBondContact O-CG 3.47Å; L284-Q288 PolarHBondContact O-N 3.46Å; L284-F301 HydrophobicContact CD1-CE1 4.01Å; L284-F301 HydrophobicContact CD1-CZ 3.75Å
285	S	85.7	Confident	87.1	Confident	71 Å²	71	81.9 Å²	81.9	50%	0.497	40%	0.397	S	S	.	.	H	α-helix	trans	-62.6	-41.5	177.8	-58.4	0	0	0	0	111.6	E281 E283 I287 Q288 A289	E281-S285 VanDerWaalsContact O-CB 3.28Å; E281-S285 WeakPolarHBondContact O-CB 3.11Å; E281-S285 PolarHBondContact O-N 3.32Å; E281-S285 PolarHBondContact O-OG 2.96Å; E283-S285 VanDerWaalsContact C-N 3.35Å; E283-S285 PolarHBondContact O-N 2.98Å; S285-I287 VanDerWaalsContact C-N 3.32Å; S285-I287 PolarHBondContact O-N 2.78Å; S285-Q288 PolarHBondContact O-N 3.14Å; S285-A289 WeakPolarHBondContact O-CB 3.36Å; S285-A289 PolarHBondContact O-N 2.92Å
286	R	87.3	Confident	87	Confident	135 Å²	135	78.1 Å²	78.1	51%	0.509	38%	0.381	S	S	.	.	H	α-helix	trans	-59.9	-42.7	176.5	-174.3	176.5	75	150.8	0.7	111.8	T282 E283 L284 A289 K290	T282-R286 WeakPolarHBondContact O-CB 3.48Å; T282-R286 PolarHBondContact O-N 3.42Å; E283-R286 WeakPolarHBondContact O-CB 3.31Å; E283-R286 PolarHBondContact O-N 3.1Å; E283-R286 IonicContact OE1-CZ 2.78Å; E283-R286 IonicContact OE1-NE 3Å; E283-R286 PolarHBondContact OE1-NE 2.93Å; E283-R286 IonicContact OE1-NH2 3.06Å; E283-R286 PolarHBondContact OE1-NH2 3.34Å; E283-R286 IonicContact OE2-CZ 2.64Å; E283-R286 VanDerWaalsContact OE2-CZ 3.22Å; E283-R286 IonicContact OE2-NE 2.93Å; E283-R286 PolarHBondContact OE2-NE 3.39Å; E283-R286 IonicContact OE2-NH2 3.99Å; E283-R286 PolarHBondContact OE2-NH2 2.81Å; L284-R286 VanDerWaalsContact C-N 3.34Å; L284-R286 PolarHBondContact O-N 3.3Å; R286-A289 PolarHBondContact O-N 2.96Å; R286-K290 PolarHBondContact O-N 3.4Å
287	I	85.8	Confident	87	Confident	2 Å²	2	73.7 Å²	73.7	1%	0.01	36%	0.36	C	S	.	.	H	α-helix	trans	-73.4	-41.2	-178.2	-69.4	165.5	0	0	0	110.9	L278 E283 L284 S285 A289 K290 L293 F301	L278-I287 HydrophobicContact CD2-CD1 3.23Å; E283-I287 WeakPolarHBondContact O-CD1 3.49Å; E283-I287 VanDerWaalsContact O-CG1 3.31Å; E283-I287 WeakPolarHBondContact O-CG1 3.4Å; E283-I287 PolarHBondContact O-N 3.18Å; L284-I287 PolarHBondContact O-N 2.75Å; S285-I287 VanDerWaalsContact C-N 3.32Å; S285-I287 PolarHBondContact O-N 2.78Å; I287-A289 PolarHBondContact O-N 3.35Å; I287-K290 WeakPolarHBondContact O-CB 3.46Å; I287-K290 PolarHBondContact O-N 3.35Å; I287-L293 HydrophobicContact CG2-CD2 3.5Å; I287-F301 HydrophobicContact CG2-CD2 4.43Å; I287-F301 HydrophobicContact CG2-CE2 4.04Å
288	Q	83.2	Confident	86.9	Confident	136 Å²	136	71.9 Å²	71.9	64%	0.636	35%	0.348	S	S	*	.	H	α-helix	trans	-63.5	-28.2	174.5	-72.5	177	-11.7	0	0	112.8	L284 S285 K290	L284-Q288 HydrophobicContact CD1-CG 4.47Å; L284-Q288 WeakPolarHBondContact O-CB 3.4Å; L284-Q288 WeakPolarHBondContact O-CG 3.47Å; L284-Q288 PolarHBondContact O-N 3.46Å; S285-Q288 PolarHBondContact O-N 3.14Å; Q288-K290 VanDerWaalsContact C-N 3.34Å
289	A	83.8	Confident	86.8	Confident	85 Å²	85	71.2 Å²	71.2	70%	0.702	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-15.7	173.3	0	0	0	0	0	113.6	S285 R286 I287 R291	S285-A289 WeakPolarHBondContact O-CB 3.36Å; S285-A289 PolarHBondContact O-N 2.92Å; R286-A289 PolarHBondContact O-N 2.96Å; I287-A289 PolarHBondContact O-N 3.35Å; A289-R291 PolarHBondContact O-N 3.11Å
290	K	83.3	Confident	86.8	Confident	78 Å²	78	64.9 Å²	64.9	34%	0.339	32%	0.319	S	S	.	.			trans	-73.7	128.2	177.3	-72.8	-174.8	176.7	-174.7	0	110.1	R286 I287 Q288 Y292 L293 D294	R286-K290 PolarHBondContact O-N 3.4Å; I287-K290 WeakPolarHBondContact O-CB 3.46Å; I287-K290 PolarHBondContact O-N 3.35Å; Q288-K290 VanDerWaalsContact C-N 3.34Å; K290-Y292 VanDerWaalsContact C-N 3.25Å; K290-Y292 WeakPolarHBondContact CB-O 3.28Å; K290-Y292 PolarHBondContact O-N 2.79Å; K290-L293 HydrophobicContact CB-CD2 4.31Å; K290-D294 IonicContact NZ-OD2 2.72Å
291	R	79.6	Confident	86.6	Confident	211 Å²	211	63 Å²	63	80%	0.796	31%	0.309	S	S	*	.	S	Bend	trans	-64.9	-30.6	170.3	-176.3	176.4	174.8	-178.1	-0.9	112.7	A289	A289-R291 PolarHBondContact O-N 3.11Å
292	Y	80.4	Confident	86.4	Confident	65 Å²	65	56.3 Å²	56.3	26%	0.255	28%	0.282	S	S	.	.	S	Bend	trans	-128.8	128.4	-176.8	-66.1	-75.6	0	0	0	109.7	H155 D157 V158 K290	H155-Y292 HydrophobicContact CB-CE1 4.45Å; H155-Y292 AromaticContact CE1-CZ 3.98Å; H155-Y292 AromaticContact ND1-CE1 3.58Å; H155-Y292 AromaticContact ND1-CZ 3.81Å; D157-Y292 HydrophobicContact CB-CD2 3.57Å; D157-Y292 HydrophobicContact CB-CE1 4.44Å; D157-Y292 HydrophobicContact CB-CE2 3.49Å; D157-Y292 VanDerWaalsContact CB-CE2 3.49Å; D157-Y292 HydrophobicContact CB-CG 4.12Å; D157-Y292 WeakPolarHBondContact OD2-CE2 3.49Å; V158-Y292 HydrophobicContact CG2-CD1 4.15Å; V158-Y292 HydrophobicContact CG2-CG 4.24Å; K290-Y292 VanDerWaalsContact C-N 3.25Å; K290-Y292 WeakPolarHBondContact CB-O 3.28Å; K290-Y292 PolarHBondContact O-N 2.79Å
293	L	85	Confident	86	Confident	39 Å²	39	57.1 Å²	57.1	20%	0.204	27%	0.274	C	S	.	.			trans	-101.8	150.2	-175.7	-66.1	-179.3	0	0	0	110.9	I287 K290 D297 I298 F301	I287-L293 HydrophobicContact CG2-CD2 3.5Å; K290-L293 HydrophobicContact CB-CD2 4.31Å; L293-D297 HydrophobicContact CB-CB 4.03Å; L293-D297 HydrophobicContact CD1-CB 4.45Å; L293-D297 HydrophobicContact CD2-CB 4.32Å; L293-I298 HydrophobicContact CB-CD1 4.44Å; L293-I298 HydrophobicContact CB-CG1 3.63Å; L293-I298 WeakPolarHBondContact O-CD1 3.35Å; L293-F301 HydrophobicContact CD1-CB 4.26Å; L293-F301 HydrophobicContact CD1-CD2 4.5Å
294	D	89.8	Confident	85.6	Confident	23 Å²	23	56.1 Å²	56.1	12%	0.123	27%	0.269	C	S	.	.			trans	-69.3	159.2	169	-61.1	-33.8	0	0	0	109.9	Y162 S207 K290 L296 D297 I298	Y162-D294 WeakPolarHBondContact CE1-OD1 3.29Å; Y162-D294 WeakPolarHBondContact OH-CA 3.27Å; Y162-D294 WeakPolarHBondContact OH-CB 3.36Å; Y162-D294 PolarHBondContact OH-OD1 2.87Å; S207-D294 VanDerWaalsContact OG-CB 3.28Å; S207-D294 WeakPolarHBondContact OG-CB 3.47Å; S207-D294 PolarHBondContact OG-OD2 3.21Å; K290-D294 IonicContact NZ-OD2 2.72Å; D294-L296 PolarHBondContact O-N 3.46Å; D294-D297 WeakPolarHBondContact O-CB 3.36Å; D294-D297 PolarHBondContact O-N 2.88Å; D294-I298 WeakPolarHBondContact O-CG1 3.29Å; D294-I298 PolarHBondContact O-N 3.25Å
295	F	90.8	Very high	85.2	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.009	29%	0.289	C	S	.	.	H	α-helix	trans	-55.8	-46.2	-171.4	173.6	-96.8	0	0	0	114.1	L150 F154 A205 F206 D297 I298 L299 F322	L150-F295 HydrophobicContact CB-CE2 4.26Å; L150-F295 HydrophobicContact CD1-CE2 4.09Å; L150-F295 HydrophobicContact CD1-CZ 4.41Å; L150-F295 HydrophobicContact CD2-CD2 4.11Å; L150-F295 HydrophobicContact CD2-CE2 3.39Å; L150-F295 HydrophobicContact CD2-CZ 3.95Å; L150-F295 HydrophobicContact CG-CE2 4.09Å; F154-F295 HydrophobicContact CE2-CD2 4.07Å; F154-F295 HydrophobicContact CE2-CE2 4.42Å; F154-F295 HydrophobicContact CZ-CD2 4.18Å; A205-F295 HydrophobicContact CB-CB 3.83Å; A205-F295 HydrophobicContact CB-CG 4.47Å; A205-F295 WeakPolarHBondContact O-CB 3.49Å; A205-F295 PolarHBondContact O-N 2.83Å; F206-F295 HydrophobicContact CE1-CD1 4.16Å; F206-F295 HydrophobicContact CE1-CE1 4.26Å; F206-F295 HydrophobicContact CZ-CD1 4.35Å; F206-F295 HydrophobicContact CZ-CE1 4.39Å; F295-D297 VanDerWaalsContact C-N 3.32Å; F295-D297 PolarHBondContact O-N 3.2Å; F295-I298 WeakPolarHBondContact O-CB 3.3Å; F295-I298 PolarHBondContact O-N 3.41Å; F295-L299 HydrophobicContact CD1-CD1 3.96Å; F295-L299 HydrophobicContact CD1-CG 4.48Å; F295-L299 HydrophobicContact CE1-CD1 3.28Å; F295-L299 HydrophobicContact CE1-CG 3.99Å; F295-L299 HydrophobicContact CE2-CG 4.49Å; F295-L299 HydrophobicContact CZ-CD1 3.62Å; F295-L299 HydrophobicContact CZ-CD2 4.19Å; F295-L299 HydrophobicContact CZ-CG 3.95Å; F295-L299 PolarHBondContact O-N 2.9Å; F295-F322 HydrophobicContact CD1-CB 4.32Å; F295-F322 HydrophobicContact CD1-CG 4.42Å; F295-F322 HydrophobicContact CD2-CD1 4.18Å; F295-F322 HydrophobicContact CD2-CE1 4.19Å; F295-F322 HydrophobicContact CE1-CB 3.57Å; F295-F322 HydrophobicContact CE1-CD1 4.09Å; F295-F322 AromaticContact CE1-CD2 3.89Å; F295-F322 HydrophobicContact CE1-CD2 3.89Å; F295-F322 AromaticContact CE1-CG 3.57Å; F295-F322 HydrophobicContact CE1-CG 3.57Å; F295-F322 AromaticContact CE2-CD1 3.63Å; F295-F322 HydrophobicContact CE2-CD1 3.63Å; F295-F322 AromaticContact CE2-CD2 3.8Å; F295-F322 HydrophobicContact CE2-CD2 3.8Å; F295-F322 AromaticContact CE2-CE1 3.53Å; F295-F322 HydrophobicContact CE2-CE1 3.53Å; F295-F322 AromaticContact CE2-CE2 3.68Å; F295-F322 HydrophobicContact CE2-CE2 3.68Å; F295-F322 AromaticContact CE2-CG 3.74Å; F295-F322 HydrophobicContact CE2-CG 3.74Å; F295-F322 AromaticContact CE2-CZ 3.52Å; F295-F322 HydrophobicContact CE2-CZ 3.52Å; F295-F322 HydrophobicContact CZ-CB 3.77Å; F295-F322 AromaticContact CZ-CD1 3.61Å; F295-F322 HydrophobicContact CZ-CD1 3.61Å; F295-F322 AromaticContact CZ-CD2 3.16Å; F295-F322 HydrophobicContact CZ-CD2 3.16Å; F295-F322 AromaticContact CZ-CE1 3.91Å; F295-F322 HydrophobicContact CZ-CE1 3.91Å; F295-F322 AromaticContact CZ-CE2 3.47Å; F295-F322 HydrophobicContact CZ-CE2 3.47Å; F295-F322 VanDerWaalsContact CZ-CE2 3.47Å; F295-F322 AromaticContact CZ-CG 3.2Å; F295-F322 HydrophobicContact CZ-CG 3.2Å; F295-F322 AromaticContact CZ-CZ 3.81Å; F295-F322 HydrophobicContact CZ-CZ 3.81Å
296	L	91.9	Very high	85.1	Confident	0 Å²	0	63 Å²	63	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-66.8	-34.5	178	-178.6	59.2	0	0	0	112	A205 F206 V270 I271 R274 D294 I298 L299 L300 V319	A205-L296 PolarHBondContact O-N 3.5Å; F206-L296 HydrophobicContact CB-CD2 4.32Å; F206-L296 HydrophobicContact CD1-CB 3.93Å; F206-L296 HydrophobicContact CD1-CD1 4.42Å; F206-L296 HydrophobicContact CD1-CD2 4.08Å; F206-L296 HydrophobicContact CD1-CG 4.37Å; V270-L296 HydrophobicContact CG1-CD2 4.17Å; I271-L296 HydrophobicContact CG1-CD1 4.48Å; R274-L296 HydrophobicContact CB-CD2 3.47Å; R274-L296 VanDerWaalsContact CB-CD2 3.47Å; R274-L296 HydrophobicContact CB-CG 4.39Å; R274-L296 HydrophobicContact CG-CD2 3.58Å; R274-L296 HydrophobicContact CG-CG 4.08Å; D294-L296 PolarHBondContact O-N 3.46Å; L296-I298 VanDerWaalsContact C-N 3.34Å; L296-L299 HydrophobicContact CD1-CD1 4.31Å; L296-L299 WeakPolarHBondContact O-CB 3.41Å; L296-L299 PolarHBondContact O-N 2.85Å; L296-L300 HydrophobicContact CD1-CD1 4.47Å; L296-L300 HydrophobicContact CD1-CG 4.46Å; L296-L300 HydrophobicContact CG-CD1 4.19Å; L296-L300 VanDerWaalsContact O-CG 3.26Å; L296-L300 WeakPolarHBondContact O-CG 3.25Å; L296-L300 PolarHBondContact O-N 3.25Å; L296-V319 HydrophobicContact CD1-CG2 3.74Å
297	D	91.2	Very high	84.9	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-66.7	-39	174.1	-68.6	-21.6	0	0	0	110.9	R274 L293 D294 F295 L299 L300 F301	R274-D297 IonicContact CZ-OD1 3.79Å; R274-D297 VanDerWaalsContact CZ-OD1 3.25Å; R274-D297 IonicContact CZ-OD2 3.72Å; R274-D297 IonicContact NE-OD1 3.41Å; R274-D297 PolarHBondContact NE-OD1 2.86Å; R274-D297 IonicContact NE-OD2 3.89Å; R274-D297 IonicContact NH2-OD1 3.33Å; R274-D297 PolarHBondContact NH2-OD1 2.88Å; R274-D297 IonicContact NH2-OD2 2.68Å; R274-D297 PolarHBondContact NH2-OD2 3.38Å; L293-D297 HydrophobicContact CB-CB 4.03Å; L293-D297 HydrophobicContact CD1-CB 4.45Å; L293-D297 HydrophobicContact CD2-CB 4.32Å; D294-D297 WeakPolarHBondContact O-CB 3.36Å; D294-D297 PolarHBondContact O-N 2.88Å; F295-D297 VanDerWaalsContact C-N 3.32Å; F295-D297 PolarHBondContact O-N 3.2Å; D297-L299 VanDerWaalsContact C-N 3.33Å; D297-L299 PolarHBondContact O-N 3.42Å; D297-L300 PolarHBondContact O-N 3.18Å; D297-F301 HydrophobicContact CB-CD2 4.18Å; D297-F301 HydrophobicContact CB-CE2 4.48Å; D297-F301 WeakPolarHBondContact O-CB 3.21Å; D297-F301 WeakPolarHBondContact O-CD2 3.19Å; D297-F301 PolarHBondContact O-N 3.04Å
298	I	88.9	Confident	84.8	Confident	12 Å²	12	69 Å²	69	6%	0.062	33%	0.33	C	S	.	.	H	α-helix	trans	-58	-47.8	171.6	-67.4	172.9	0	0	0	109.9	L149 L150 G153 L293 D294 F295 L296 L300 F301 A302	L149-I298 WeakPolarHBondContact O-CG2 3.38Å; L150-I298 HydrophobicContact CD2-CG2 4.3Å; G153-I298 VanDerWaalsContact N-CD1 3.29Å; L293-I298 HydrophobicContact CB-CD1 4.44Å; L293-I298 HydrophobicContact CB-CG1 3.63Å; L293-I298 WeakPolarHBondContact O-CD1 3.35Å; D294-I298 WeakPolarHBondContact O-CG1 3.29Å; D294-I298 PolarHBondContact O-N 3.25Å; F295-I298 WeakPolarHBondContact O-CB 3.3Å; F295-I298 PolarHBondContact O-N 3.41Å; L296-I298 VanDerWaalsContact C-N 3.34Å; I298-L300 PolarHBondContact O-N 2.93Å; I298-F301 PolarHBondContact O-N 2.66Å; I298-A302 HydrophobicContact CG2-CB 3.97Å; I298-A302 WeakPolarHBondContact O-CA 3.41Å; I298-A302 WeakPolarHBondContact O-CB 3.49Å; I298-A302 PolarHBondContact O-N 2.86Å
299	L	89.3	Confident	84.9	Confident	6 Å²	6	63.7 Å²	63.7	3%	0.031	31%	0.312	C	S	.	.	H	α-helix	trans	-59.7	-35	179	-72.4	175.6	0	0	0	113.2	L150 F295 L296 D297 L310 L315 E318 V319	L150-L299 HydrophobicContact CD2-CD2 3.38Å; L150-L299 HydrophobicContact CD2-CG 3.98Å; L150-L299 HydrophobicContact CG-CD2 4.5Å; F295-L299 HydrophobicContact CD1-CD1 3.96Å; F295-L299 HydrophobicContact CD1-CG 4.48Å; F295-L299 HydrophobicContact CE1-CD1 3.28Å; F295-L299 HydrophobicContact CE1-CG 3.99Å; F295-L299 HydrophobicContact CE2-CG 4.49Å; F295-L299 HydrophobicContact CZ-CD1 3.62Å; F295-L299 HydrophobicContact CZ-CD2 4.19Å; F295-L299 HydrophobicContact CZ-CG 3.95Å; F295-L299 PolarHBondContact O-N 2.9Å; L296-L299 HydrophobicContact CD1-CD1 4.31Å; L296-L299 WeakPolarHBondContact O-CB 3.41Å; L296-L299 PolarHBondContact O-N 2.85Å; D297-L299 VanDerWaalsContact C-N 3.33Å; D297-L299 PolarHBondContact O-N 3.42Å; L299-L310 HydrophobicContact CB-CD1 4.44Å; L299-L310 HydrophobicContact CD2-CD1 3.3Å; L299-L310 HydrophobicContact CG-CD1 4.49Å; L299-L315 HydrophobicContact CB-CD1 3.47Å; L299-L315 VanDerWaalsContact CB-CD1 3.47Å; L299-L315 HydrophobicContact CD1-CD1 4.16Å; L299-L315 HydrophobicContact CG-CD1 4.34Å; L299-E318 HydrophobicContact CD1-CB 3.99Å; L299-E318 HydrophobicContact CD2-CB 3.59Å; L299-E318 HydrophobicContact CD2-CG 3.94Å; L299-E318 HydrophobicContact CG-CB 4.48Å; L299-V319 HydrophobicContact CD1-CG2 3.74Å
300	L	89.9	Confident	85.1	Confident	30 Å²	30	61.3 Å²	61.3	16%	0.157	29%	0.287	C	S	.	.	H	α-helix	trans	-80.5	-37.5	-179.2	-67	170.4	0	0	0	113.1	R274 K275 L278 L296 D297 I298 R303 L315	R274-L300 HydrophobicContact CG-CD1 3.97Å; K275-L300 HydrophobicContact CG-CD2 4.16Å; L278-L300 HydrophobicContact CD1-CD1 3.6Å; L296-L300 HydrophobicContact CD1-CD1 4.47Å; L296-L300 HydrophobicContact CD1-CG 4.46Å; L296-L300 HydrophobicContact CG-CD1 4.19Å; L296-L300 VanDerWaalsContact O-CG 3.26Å; L296-L300 WeakPolarHBondContact O-CG 3.25Å; L296-L300 PolarHBondContact O-N 3.25Å; D297-L300 PolarHBondContact O-N 3.18Å; I298-L300 PolarHBondContact O-N 2.93Å; L300-R303 PolarHBondContact O-NH1 3.41Å; L300-L315 HydrophobicContact CD2-CD1 4.21Å; L300-L315 HydrophobicContact CD2-CD2 3.8Å
301	F	86.4	Confident	85.6	Confident	68 Å²	68	60.1 Å²	60.1	30%	0.298	29%	0.288	S	S	.	.	H	α-helix	trans	-105.7	-22.3	-171.4	-65.7	-66.4	0	0	0	114.7	L278 L284 I287 L293 D297 I298 R303	L278-F301 HydrophobicContact CD1-CE2 3.84Å; L278-F301 HydrophobicContact CD1-CZ 3.85Å; L278-F301 HydrophobicContact CD2-CE2 4.03Å; L278-F301 HydrophobicContact CD2-CZ 4.01Å; L278-F301 HydrophobicContact CG-CZ 4.46Å; L284-F301 HydrophobicContact CD1-CE1 4.01Å; L284-F301 HydrophobicContact CD1-CZ 3.75Å; I287-F301 HydrophobicContact CG2-CD2 4.43Å; I287-F301 HydrophobicContact CG2-CE2 4.04Å; L293-F301 HydrophobicContact CD1-CB 4.26Å; L293-F301 HydrophobicContact CD1-CD2 4.5Å; D297-F301 HydrophobicContact CB-CD2 4.18Å; D297-F301 HydrophobicContact CB-CE2 4.48Å; D297-F301 WeakPolarHBondContact O-CB 3.21Å; D297-F301 WeakPolarHBondContact O-CD2 3.19Å; D297-F301 PolarHBondContact O-N 3.04Å; I298-F301 PolarHBondContact O-N 2.66Å; F301-R303 VanDerWaalsContact C-NH1 3.33Å; F301-R303 PolarHBondContact O-N 3.18Å; F301-R303 PolarHBondContact O-NH1 3.29Å; F301-R303 VanDerWaalsContact O-NH1 3.12Å
302	A	80.1	Confident	86.1	Confident	26 Å²	26	55.3 Å²	55.3	22%	0.215	28%	0.278	C	S	.	.			trans	-62.2	142.6	-177.6	0	0	0	0	0	111.1	L149 I298	L149-A302 HydrophobicContact CD2-CB 4.12Å; I298-A302 HydrophobicContact CG2-CB 3.97Å; I298-A302 WeakPolarHBondContact O-CA 3.41Å; I298-A302 WeakPolarHBondContact O-CB 3.49Å; I298-A302 PolarHBondContact O-N 2.86Å
303	R	79.9	Confident	86.7	Confident	123 Å²	123	59.2 Å²	59.2	46%	0.464	30%	0.299	S	S	.	.			trans	-129.5	142.6	174.1	-59.1	-62.4	-179.4	-94.1	-0.1	107.6	L300 F301 Q308	L300-R303 PolarHBondContact O-NH1 3.41Å; F301-R303 VanDerWaalsContact C-NH1 3.33Å; F301-R303 PolarHBondContact O-N 3.18Å; F301-R303 PolarHBondContact O-NH1 3.29Å; F301-R303 VanDerWaalsContact O-NH1 3.12Å; R303-Q308 WeakPolarHBondContact CA-O 3.48Å
304	D	79.4	Confident	87.2	Confident	16 Å²	16	58.5 Å²	58.5	9%	0.086	30%	0.295	C	S	.	.			trans	-79.7	-174.9	172.6	64.4	23.5	0	0	0	112.4	R145 L149 N306 Q307 Q308	R145-D304 IonicContact CZ-OD2 3.13Å; R145-D304 IonicContact NE-OD2 2.69Å; R145-D304 PolarHBondContact NE-OD2 2.95Å; R145-D304 IonicContact NH2-OD2 2.75Å; R145-D304 PolarHBondContact NH2-OD2 3.47Å; L149-D304 HydrophobicContact CD2-CB 4.33Å; D304-N306 PolarHBondContact O-N 3.15Å; D304-N306 VanDerWaalsContact O-N 3.14Å; D304-N306 WeakPolarHBondContact OD1-CA 3.49Å; D304-N306 WeakPolarHBondContact OD1-CB 3.23Å; D304-N306 PolarHBondContact OD1-N 2.97Å; D304-Q307 PolarHBondContact O-N 3.5Å; D304-Q307 PolarHBondContact OD1-N 3.16Å; D304-Q308 PolarHBondContact N-O 3.17Å; D304-Q308 PolarHBondContact OD1-N 2.91Å
305	E	78.3	Confident	87.4	Confident	144 Å²	144	57.8 Å²	57.8	67%	0.673	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.9	179	-76.6	157.1	171.2	0	0	113.1	R148 Q307	R148-E305 VanDerWaalsContact CZ-CD 3.47Å; R148-E305 IonicContact CZ-OE1 3.4Å; R148-E305 IonicContact CZ-OE2 3.19Å; R148-E305 IonicContact NH1-OE1 3.06Å; R148-E305 PolarHBondContact NH1-OE1 3.23Å; R148-E305 IonicContact NH1-OE2 2.77Å; R148-E305 PolarHBondContact NH1-OE2 3.36Å; R148-E305 VanDerWaalsContact NH2-CG 3.29Å; R148-E305 IonicContact NH2-OE1 2.92Å; R148-E305 PolarHBondContact NH2-OE1 3.35Å; R148-E305 IonicContact NH2-OE2 3.25Å; R148-E305 PolarHBondContact NH2-OE2 3.47Å; E305-Q307 VanDerWaalsContact C-N 3.3Å
306	N	83.4	Confident	87.6	Confident	122 Å²	122	61.4 Å²	61.4	65%	0.652	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	13	177.7	-58.8	-41.5	0	0	0	112.2	D304 Q308	D304-N306 PolarHBondContact O-N 3.15Å; D304-N306 VanDerWaalsContact O-N 3.14Å; D304-N306 WeakPolarHBondContact OD1-CA 3.49Å; D304-N306 WeakPolarHBondContact OD1-CB 3.23Å; D304-N306 PolarHBondContact OD1-N 2.97Å; N306-Q308 HydrophobicContact CB-CG 4.29Å; N306-Q308 PolarHBondContact O-N 3.48Å
307	Q	82.8	Confident	87.9	Confident	148 Å²	148	61.7 Å²	61.7	69%	0.692	31%	0.307	S	S	*	.	S	Bend	trans	60.7	23.4	-175.7	-57.6	-63.1	-38.4	0	0	113.9	D304 E305	D304-Q307 PolarHBondContact O-N 3.5Å; D304-Q307 PolarHBondContact OD1-N 3.16Å; E305-Q307 VanDerWaalsContact C-N 3.3Å
308	Q	84.4	Confident	88.2	Confident	116 Å²	116	61.7 Å²	61.7	54%	0.542	31%	0.307	S	S	.	.			trans	-97.3	131.8	178.7	-62.7	-173.7	-6.2	0	0	111.2	R303 D304 N306	R303-Q308 WeakPolarHBondContact CA-O 3.48Å; D304-Q308 PolarHBondContact N-O 3.17Å; D304-Q308 PolarHBondContact OD1-N 2.91Å; N306-Q308 HydrophobicContact CB-CG 4.29Å; N306-Q308 PolarHBondContact O-N 3.48Å
309	G	84.8	Confident	88.6	Confident	24 Å²	24	61.1 Å²	61.1	25%	0.247	30%	0.304	C	S	.	.			trans	-82.8	-170.5	170.4	0	0	0	0	0	112.8	R145	R145-G309 PolarHBondContact NH2-O 2.94Å; R145-G309 VanDerWaalsContact NH2-O 3.11Å
310	L	88.6	Confident	88.9	Confident	34 Å²	34	61.1 Å²	61.1	18%	0.178	31%	0.305	C	S	.	.			trans	-79.1	145.2	168.7	-64.4	177	0	0	0	110.5	L149 L299 D314 L315 E318	L149-L310 HydrophobicContact CD1-CD2 4.26Å; L299-L310 HydrophobicContact CB-CD1 4.44Å; L299-L310 HydrophobicContact CD2-CD1 3.3Å; L299-L310 HydrophobicContact CG-CD1 4.49Å; L310-D314 HydrophobicContact CB-CB 4.15Å; L310-D314 HydrophobicContact CD2-CB 4.1Å; L310-L315 HydrophobicContact CB-CB 4.5Å; L310-E318 HydrophobicContact CD1-CG 4.45Å
311	S	91.9	Very high	89.3	Confident	53 Å²	53	59.7 Å²	59.7	37%	0.371	30%	0.297	S	S	.	.			trans	-66.6	160.4	166.4	68.7	0	0	0	0	110.1	E313 D314 L315	S311-E313 PolarHBondContact O-N 3.38Å; S311-D314 PolarHBondContact O-N 2.89Å; S311-D314 WeakPolarHBondContact OG-CB 3.37Å; S311-D314 PolarHBondContact OG-N 2.9Å; S311-D314 PolarHBondContact OG-OD2 3.47Å; S311-L315 VanDerWaalsContact O-CB 3.27Å; S311-L315 WeakPolarHBondContact O-CB 3.45Å; S311-L315 PolarHBondContact O-N 2.85Å
312	D	91	Very high	89.8	Confident	110 Å²	110	57.1 Å²	57.1	59%	0.588	29%	0.286	S	S	*	.	H	α-helix	trans	-60.8	-28.8	174.9	-80.7	-32.7	0	0	0	112.2	K275 R316	K275-D312 IonicContact NZ-OD1 2.67Å; K275-D312 PolarHBondContact NZ-OD1 3.46Å; D312-R316 WeakPolarHBondContact O-CB 3.38Å; D312-R316 PolarHBondContact O-N 3.3Å; D312-R316 VanDerWaalsContact O-N 3.08Å
313	E	93.3	Very high	90.6	Very high	147 Å²	147	55.9 Å²	55.9	69%	0.687	28%	0.275	S	S	*	.	H	α-helix	trans	-69.8	-47.8	174.2	-175	178	179	0	0	111.6	S311 R316 A317	S311-E313 PolarHBondContact O-N 3.38Å; E313-R316 PolarHBondContact O-N 3.22Å; E313-A317 WeakPolarHBondContact O-CB 3.42Å; E313-A317 PolarHBondContact O-N 2.69Å
314	D	94.4	Very high	91.4	Very high	24 Å²	24	50.5 Å²	50.5	13%	0.128	26%	0.255	C	S	.	.	H	α-helix	trans	-65.6	-40.2	177.2	-68.3	-45.4	0	0	0	111.8	K142 H146 L310 S311 A317 E318	K142-D314 WeakPolarHBondContact CE-OD1 3.27Å; K142-D314 IonicContact NZ-OD1 2.71Å; K142-D314 PolarHBondContact NZ-OD1 3.47Å; H146-D314 IonicContact CE1-OD1 3.88Å; L310-D314 HydrophobicContact CB-CB 4.15Å; L310-D314 HydrophobicContact CD2-CB 4.1Å; S311-D314 PolarHBondContact O-N 2.89Å; S311-D314 WeakPolarHBondContact OG-CB 3.37Å; S311-D314 PolarHBondContact OG-N 2.9Å; S311-D314 PolarHBondContact OG-OD2 3.47Å; D314-A317 PolarHBondContact O-N 3.19Å; D314-E318 WeakPolarHBondContact O-CG 3.48Å; D314-E318 PolarHBondContact O-N 3.46Å
315	L	94.7	Very high	92.3	Very high	9 Å²	9	52 Å²	52	5%	0.047	26%	0.262	C	S	.	.	H	α-helix	trans	-55.8	-52.4	173.7	173.6	65.4	0	0	0	110.3	I271 L299 L300 L310 S311 A317 E318 V319	I271-L315 HydrophobicContact CG2-CD2 4.24Å; L299-L315 HydrophobicContact CB-CD1 3.47Å; L299-L315 VanDerWaalsContact CB-CD1 3.47Å; L299-L315 HydrophobicContact CD1-CD1 4.16Å; L299-L315 HydrophobicContact CG-CD1 4.34Å; L300-L315 HydrophobicContact CD2-CD1 4.21Å; L300-L315 HydrophobicContact CD2-CD2 3.8Å; L310-L315 HydrophobicContact CB-CB 4.5Å; S311-L315 VanDerWaalsContact O-CB 3.27Å; S311-L315 WeakPolarHBondContact O-CB 3.45Å; S311-L315 PolarHBondContact O-N 2.85Å; L315-A317 VanDerWaalsContact C-N 3.35Å; L315-A317 PolarHBondContact O-N 3.4Å; L315-E318 PolarHBondContact O-N 2.81Å; L315-V319 HydrophobicContact CD1-CG2 4.48Å; L315-V319 WeakPolarHBondContact O-CG2 3.48Å; L315-V319 PolarHBondContact O-N 2.92Å
316	R	95.4	Very high	93.1	Very high	78 Å²	78	45.8 Å²	45.8	29%	0.294	24%	0.237	S	C	.	.	H	α-helix	trans	-60.5	-45.7	178.4	-176.5	-174.1	-67.8	105.9	2.4	111.2	D268 D312 E313 E318 V319 D320	D268-R316 IonicContact OD1-CZ 3.34Å; D268-R316 IonicContact OD1-NE 3.6Å; D268-R316 PolarHBondContact OD1-NE 2.73Å; D268-R316 IonicContact OD1-NH2 2.86Å; D268-R316 PolarHBondContact OD1-NH2 3.32Å; D268-R316 VanDerWaalsContact OD1-NH2 3.14Å; D268-R316 IonicContact OD2-NE 3.4Å; D312-R316 WeakPolarHBondContact O-CB 3.38Å; D312-R316 PolarHBondContact O-N 3.3Å; D312-R316 VanDerWaalsContact O-N 3.08Å; E313-R316 PolarHBondContact O-N 3.22Å; R316-E318 VanDerWaalsContact C-N 3.3Å; R316-E318 PolarHBondContact O-N 2.87Å; R316-V319 PolarHBondContact O-N 2.77Å; R316-V319 VanDerWaalsContact O-N 3.14Å; R316-D320 PolarHBondContact O-N 3.27Å
317	A	96.9	Very high	93.8	Very high	5 Å²	5	40 Å²	40	4%	0.041	21%	0.206	C	C	.	.	H	α-helix	trans	-60.6	-39.4	-179.8	0	0	0	0	0	112.3	I131 E313 D314 L315 T321	I131-A317 CarbonylContact O-C 3.44Å; I131-A317 VanDerWaalsContact O-CA 3.24Å; I131-A317 WeakPolarHBondContact O-CA 3.38Å; E313-A317 WeakPolarHBondContact O-CB 3.42Å; E313-A317 PolarHBondContact O-N 2.69Å; D314-A317 PolarHBondContact O-N 3.19Å; L315-A317 VanDerWaalsContact C-N 3.35Å; L315-A317 PolarHBondContact O-N 3.4Å; A317-T321 VanDerWaalsContact O-CB 3.23Å; A317-T321 WeakPolarHBondContact O-CB 3.41Å; A317-T321 PolarHBondContact O-N 3.1Å; A317-T321 PolarHBondContact O-OG1 3.33Å
318	E	97.4	Very high	94.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-69.9	-38.8	174.4	-65.7	-59.1	172.2	0	0	112.4	G134 L135 H146 L150 L299 L310 D314 L315 R316 T321 F322	G134-E318 WeakPolarHBondContact CA-OE1 3.39Å; L135-E318 VanDerWaalsContact CB-OE2 3.31Å; L135-E318 WeakPolarHBondContact CB-OE2 3.47Å; L135-E318 VanDerWaalsContact N-CD 3.29Å; L135-E318 PolarHBondContact N-OE1 2.73Å; L135-E318 PolarHBondContact N-OE2 2.79Å; H146-E318 IonicContact CE1-OE1 3.33Å; H146-E318 IonicContact CG-OE1 3.98Å; H146-E318 IonicContact ND1-OE1 3.03Å; H146-E318 PolarHBondContact ND1-OE1 2.57Å; L150-E318 HydrophobicContact CD1-CG 4.24Å; L299-E318 HydrophobicContact CD1-CB 3.99Å; L299-E318 HydrophobicContact CD2-CB 3.59Å; L299-E318 HydrophobicContact CD2-CG 3.94Å; L299-E318 HydrophobicContact CG-CB 4.48Å; L310-E318 HydrophobicContact CD1-CG 4.45Å; D314-E318 WeakPolarHBondContact O-CG 3.48Å; D314-E318 PolarHBondContact O-N 3.46Å; L315-E318 PolarHBondContact O-N 2.81Å; R316-E318 VanDerWaalsContact C-N 3.3Å; R316-E318 PolarHBondContact O-N 2.87Å; E318-T321 PolarHBondContact O-N 3.03Å; E318-F322 WeakPolarHBondContact O-CB 3.49Å; E318-F322 VanDerWaalsContact O-CD2 3.26Å; E318-F322 WeakPolarHBondContact O-CD2 3.3Å; E318-F322 PolarHBondContact O-N 3.1Å; E318-F322 WeakPolarHBondContact OE2-CE2 3.32Å
319	V	97.3	Very high	95.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.5	-46.9	174.3	172.6	0	0	0	0	111.2	F206 T267 I271 L296 L299 L315 R316 T321 F322 M323	F206-V319 HydrophobicContact CD1-CG1 4.4Å; F206-V319 HydrophobicContact CE1-CB 4.24Å; F206-V319 HydrophobicContact CE1-CG1 3.75Å; F206-V319 HydrophobicContact CE1-CG2 4.13Å; F206-V319 HydrophobicContact CZ-CG1 4.43Å; T267-V319 HydrophobicContact CG2-CG1 3.9Å; I271-V319 HydrophobicContact CD1-CB 4.04Å; I271-V319 HydrophobicContact CD1-CG1 4.14Å; I271-V319 HydrophobicContact CD1-CG2 3.87Å; I271-V319 HydrophobicContact CG1-CB 4.33Å; I271-V319 HydrophobicContact CG1-CG1 4.12Å; I271-V319 HydrophobicContact CG1-CG2 3.86Å; L296-V319 HydrophobicContact CD1-CG2 3.74Å; L299-V319 HydrophobicContact CD1-CG2 3.74Å; L315-V319 HydrophobicContact CD1-CG2 4.48Å; L315-V319 WeakPolarHBondContact O-CG2 3.48Å; L315-V319 PolarHBondContact O-N 2.92Å; R316-V319 PolarHBondContact O-N 2.77Å; R316-V319 VanDerWaalsContact O-N 3.14Å; V319-T321 VanDerWaalsContact C-N 3.33Å; V319-T321 PolarHBondContact O-N 2.62Å; V319-F322 PolarHBondContact O-N 3.29Å; V319-M323 WeakPolarHBondContact O-CB 3.41Å; V319-M323 PolarHBondContact O-N 3.1Å
320	D	97.5	Very high	95.8	Very high	7 Å²	7	28.2 Å²	28.2	4%	0.037	15%	0.148	C	C	.	.	H	α-helix	trans	-60	-44.3	176.3	-72.4	-32.2	0	0	0	111.5	I131 T267 R316 F324	I131-D320 HydrophobicContact CB-CB 4.14Å; I131-D320 HydrophobicContact CG2-CB 4.49Å; T267-D320 WeakPolarHBondContact CB-OD1 3.28Å; T267-D320 WeakPolarHBondContact CG2-OD1 3.31Å; T267-D320 PolarHBondContact OG1-OD1 3.46Å; R316-D320 PolarHBondContact O-N 3.27Å; D320-F324 PolarHBondContact O-N 3.49Å
321	T	97.6	Very high	96.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.3	-55.3	177.7	-63.5	0	0	0	0	111	I131 L136 A317 E318 V319 F324 E325	I131-T321 HydrophobicContact CD1-CG2 4.25Å; L136-T321 HydrophobicContact CB-CG2 3.96Å; A317-T321 VanDerWaalsContact O-CB 3.23Å; A317-T321 WeakPolarHBondContact O-CB 3.41Å; A317-T321 PolarHBondContact O-N 3.1Å; A317-T321 PolarHBondContact O-OG1 3.33Å; E318-T321 PolarHBondContact O-N 3.03Å; V319-T321 VanDerWaalsContact C-N 3.33Å; V319-T321 PolarHBondContact O-N 2.62Å; T321-F324 PolarHBondContact O-N 3.34Å; T321-E325 HydrophobicContact CG2-CG 4.31Å; T321-E325 WeakPolarHBondContact O-CB 3.31Å; T321-E325 VanDerWaalsContact O-CG 3.29Å; T321-E325 WeakPolarHBondContact O-CG 3.29Å; T321-E325 PolarHBondContact O-N 3.32Å
322	F	97.2	Very high	96.6	Very high	13 Å²	13	24.1 Å²	24.1	6%	0.057	12%	0.121	C	C	.	.	H	α-helix	trans	-76.3	-28.6	-173.4	-81.2	-101.2	0	0	0	113.4	L135 L150 F154 F206 F295 E318 V319 G326 I464	L135-F322 HydrophobicContact CB-CE2 4.01Å; L135-F322 HydrophobicContact CB-CZ 4.5Å; L135-F322 HydrophobicContact CD2-CE2 4Å; L135-F322 HydrophobicContact CD2-CZ 3.63Å; L150-F322 HydrophobicContact CD1-CE2 3.76Å; L150-F322 HydrophobicContact CD1-CZ 3.95Å; F154-F322 AromaticContact CE2-CE1 3.67Å; F154-F322 HydrophobicContact CE2-CE1 3.67Å; F154-F322 HydrophobicContact CE2-CZ 4.36Å; F154-F322 AromaticContact CZ-CD1 3.9Å; F154-F322 HydrophobicContact CZ-CD1 3.9Å; F154-F322 AromaticContact CZ-CE1 3.42Å; F154-F322 HydrophobicContact CZ-CE1 3.42Å; F154-F322 VanDerWaalsContact CZ-CE1 3.42Å; F154-F322 HydrophobicContact CZ-CZ 4.49Å; F206-F322 HydrophobicContact CZ-CB 4.12Å; F295-F322 HydrophobicContact CD1-CB 4.32Å; F295-F322 HydrophobicContact CD1-CG 4.42Å; F295-F322 HydrophobicContact CD2-CD1 4.18Å; F295-F322 HydrophobicContact CD2-CE1 4.19Å; F295-F322 HydrophobicContact CE1-CB 3.57Å; F295-F322 HydrophobicContact CE1-CD1 4.09Å; F295-F322 AromaticContact CE1-CD2 3.89Å; F295-F322 HydrophobicContact CE1-CD2 3.89Å; F295-F322 AromaticContact CE1-CG 3.57Å; F295-F322 HydrophobicContact CE1-CG 3.57Å; F295-F322 AromaticContact CE2-CD1 3.63Å; F295-F322 HydrophobicContact CE2-CD1 3.63Å; F295-F322 AromaticContact CE2-CD2 3.8Å; F295-F322 HydrophobicContact CE2-CD2 3.8Å; F295-F322 AromaticContact CE2-CE1 3.53Å; F295-F322 HydrophobicContact CE2-CE1 3.53Å; F295-F322 AromaticContact CE2-CE2 3.68Å; F295-F322 HydrophobicContact CE2-CE2 3.68Å; F295-F322 AromaticContact CE2-CG 3.74Å; F295-F322 HydrophobicContact CE2-CG 3.74Å; F295-F322 AromaticContact CE2-CZ 3.52Å; F295-F322 HydrophobicContact CE2-CZ 3.52Å; F295-F322 HydrophobicContact CZ-CB 3.77Å; F295-F322 AromaticContact CZ-CD1 3.61Å; F295-F322 HydrophobicContact CZ-CD1 3.61Å; F295-F322 AromaticContact CZ-CD2 3.16Å; F295-F322 HydrophobicContact CZ-CD2 3.16Å; F295-F322 AromaticContact CZ-CE1 3.91Å; F295-F322 HydrophobicContact CZ-CE1 3.91Å; F295-F322 AromaticContact CZ-CE2 3.47Å; F295-F322 HydrophobicContact CZ-CE2 3.47Å; F295-F322 VanDerWaalsContact CZ-CE2 3.47Å; F295-F322 AromaticContact CZ-CG 3.2Å; F295-F322 HydrophobicContact CZ-CG 3.2Å; F295-F322 AromaticContact CZ-CZ 3.81Å; F295-F322 HydrophobicContact CZ-CZ 3.81Å; E318-F322 WeakPolarHBondContact O-CB 3.49Å; E318-F322 VanDerWaalsContact O-CD2 3.26Å; E318-F322 WeakPolarHBondContact O-CD2 3.3Å; E318-F322 PolarHBondContact O-N 3.1Å; E318-F322 WeakPolarHBondContact OE2-CE2 3.32Å; V319-F322 PolarHBondContact O-N 3.29Å; F322-G326 WeakPolarHBondContact O-CA 3.18Å; F322-G326 PolarHBondContact O-N 3.26Å; F322-I464 HydrophobicContact CE1-CG2 3.66Å; F322-I464 HydrophobicContact CZ-CG2 3.83Å
323	M	96.2	Very high	96.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64	-44.6	172.3	-167	72.3	73.7	0	0	110	L198 I201 M202 F206 Y221 T267 V270 V319 H327	L198-M323 HydrophobicContact CD1-CG 4.42Å; L198-M323 HydrophobicContact CD1-SD 3.92Å; I201-M323 HydrophobicContact CG2-SD 4.3Å; M202-M323 HydrophobicContact CG-CE 4.16Å; M202-M323 HydrophobicContact CG-SD 3.89Å; F206-M323 HydrophobicContact CD1-CE 4.15Å; F206-M323 HydrophobicContact CD2-CE 3.63Å; F206-M323 HydrophobicContact CD2-SD 3.94Å; F206-M323 HydrophobicContact CE1-CE 4.16Å; F206-M323 HydrophobicContact CE2-CB 4.25Å; F206-M323 HydrophobicContact CE2-CE 3.62Å; F206-M323 HydrophobicContact CE2-SD 3.66Å; F206-M323 HydrophobicContact CG-CE 3.91Å; F206-M323 HydrophobicContact CZ-CB 4.1Å; F206-M323 HydrophobicContact CZ-CE 3.89Å; F206-M323 HydrophobicContact CZ-SD 4.3Å; Y221-M323 HydrophobicContact CE1-CG 3.87Å; Y221-M323 HydrophobicContact CE2-CG 4.32Å; Y221-M323 WeakPolarHBondContact OH-CB 3.42Å; Y221-M323 WeakPolarHBondContact OH-CG 3.36Å; T267-M323 HydrophobicContact CG2-CB 4.26Å; T267-M323 HydrophobicContact CG2-CG 4.43Å; V270-M323 HydrophobicContact CB-CE 4.4Å; V270-M323 HydrophobicContact CG1-CE 4.15Å; V270-M323 HydrophobicContact CG2-CE 4Å; V319-M323 WeakPolarHBondContact O-CB 3.41Å; V319-M323 PolarHBondContact O-N 3.1Å; M323-H327 PolarHBondContact O-ND1 3.34Å
324	F	97.1	Very high	97.2	Very high	10 Å²	10	11.9 Å²	11.9	4%	0.044	6%	0.061	C	C	.	.	H	α-helix	trans	-66.1	-57	174.7	165	-126.7	0	0	0	112.3	W130 I131 V225 T229 D320 T321 G326 H327 D328 L500	W130-F324 HydrophobicContact CH2-CB 3.86Å; W130-F324 HydrophobicContact CH2-CD1 4Å; W130-F324 AromaticContact CH2-CD2 3.33Å; W130-F324 HydrophobicContact CH2-CD2 3.33Å; W130-F324 HydrophobicContact CH2-CE1 4.41Å; W130-F324 AromaticContact CH2-CE2 3.78Å; W130-F324 HydrophobicContact CH2-CE2 3.78Å; W130-F324 AromaticContact CH2-CG 3.43Å; W130-F324 HydrophobicContact CH2-CG 3.43Å; W130-F324 VanDerWaalsContact CH2-CG 3.43Å; W130-F324 HydrophobicContact CH2-CZ 4.31Å; W130-F324 HydrophobicContact CZ2-CB 4Å; W130-F324 HydrophobicContact CZ2-CD2 4.23Å; W130-F324 HydrophobicContact CZ2-CG 4.1Å; W130-F324 HydrophobicContact CZ3-CD1 4.02Å; W130-F324 AromaticContact CZ3-CD2 3.94Å; W130-F324 HydrophobicContact CZ3-CD2 3.94Å; W130-F324 HydrophobicContact CZ3-CE1 4.1Å; W130-F324 HydrophobicContact CZ3-CE2 4Å; W130-F324 AromaticContact CZ3-CG 3.94Å; W130-F324 HydrophobicContact CZ3-CG 3.94Å; W130-F324 HydrophobicContact CZ3-CZ 4.09Å; I131-F324 HydrophobicContact CG2-CD1 4.41Å; V225-F324 HydrophobicContact CG1-CD2 4.06Å; V225-F324 HydrophobicContact CG1-CE2 4.33Å; T229-F324 HydrophobicContact CG2-CE2 3.91Å; T229-F324 HydrophobicContact CG2-CZ 4.24Å; D320-F324 PolarHBondContact O-N 3.49Å; T321-F324 PolarHBondContact O-N 3.34Å; F324-G326 VanDerWaalsContact C-N 3.29Å; F324-G326 PolarHBondContact O-N 2.81Å; F324-H327 PolarHBondContact O-N 2.88Å; F324-H327 PolarHBondContact O-ND1 3.21Å; F324-D328 HydrophobicContact CD2-CB 3.84Å; F324-D328 HydrophobicContact CE2-CB 3.75Å; F324-D328 WeakPolarHBondContact CE2-OD2 3.18Å; F324-D328 WeakPolarHBondContact O-CB 3.13Å; F324-D328 PolarHBondContact O-N 3.28Å; F324-D328 VanDerWaalsContact O-N 3.13Å; F324-L500 HydrophobicContact CZ-CB 4.35Å; F324-L500 HydrophobicContact CZ-CD1 4.06Å
325	E	97.1	Very high	97.4	Very high	47 Å²	47	10.8 Å²	10.8	22%	0.22	6%	0.055	C	C	.	.	H	α-helix	trans	-63.9	-34.4	-172.8	-70.4	-171.7	155.6	0	0	112.9	L136 T321 T329	L136-E325 WeakPolarHBondContact CB-OE1 3.23Å; L136-E325 WeakPolarHBondContact CD1-OE1 3.29Å; L136-E325 VanDerWaalsContact CD2-OE1 3.25Å; L136-E325 WeakPolarHBondContact CD2-OE1 3.36Å; L136-E325 VanDerWaalsContact CG-OE1 3.3Å; L136-E325 WeakPolarHBondContact CG-OE1 3.49Å; T321-E325 HydrophobicContact CG2-CG 4.31Å; T321-E325 WeakPolarHBondContact O-CB 3.31Å; T321-E325 VanDerWaalsContact O-CG 3.29Å; T321-E325 WeakPolarHBondContact O-CG 3.29Å; T321-E325 PolarHBondContact O-N 3.32Å; E325-T329 PolarHBondContact O-OG1 2.92Å
326	G	96.1	Very high	97.6	Very high	15 Å²	15	10.3 Å²	10.3	16%	0.155	5%	0.053	C	C	.	.	H	α-helix	trans	-76.5	-19.9	-174	0	0	0	0	0	115.3	F322 F324 T330	F322-G326 WeakPolarHBondContact O-CA 3.18Å; F322-G326 PolarHBondContact O-N 3.26Å; F324-G326 VanDerWaalsContact C-N 3.29Å; F324-G326 PolarHBondContact O-N 2.81Å; G326-T330 PolarHBondContact O-OG1 3.28Å
327	H	97.4	Very high	97.8	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-115.1	-42.4	178.5	85.6	-73.5	0	0	0	113.6	T197 L198 I201 Y221 M323 F324 T329 T330 S331	T197-H327 PolarHBondContact OG1-O 3.42Å; L198-H327 HydrophobicContact CB-CB 4.27Å; I201-H327 HydrophobicContact CG2-CB 4.05Å; Y221-H327 AromaticContact CE1-CE1 3.72Å; M323-H327 PolarHBondContact O-ND1 3.34Å; F324-H327 PolarHBondContact O-N 2.88Å; F324-H327 PolarHBondContact O-ND1 3.21Å; H327-T329 VanDerWaalsContact C-N 3.31Å; H327-T329 PolarHBondContact O-N 3.32Å; H327-T330 PolarHBondContact O-N 3.06Å; H327-T330 PolarHBondContact O-OG1 2.83Å; H327-S331 WeakPolarHBondContact O-CB 3.27Å; H327-S331 PolarHBondContact O-N 3.03Å; H327-S331 PolarHBondContact O-OG 3.5Å
328	D	97.2	Very high	97.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-70.2	-33.3	-169.6	-155.1	47.3	0	0	0	111.1	F324 S332 V501 R503	F324-D328 HydrophobicContact CD2-CB 3.84Å; F324-D328 HydrophobicContact CE2-CB 3.75Å; F324-D328 WeakPolarHBondContact CE2-OD2 3.18Å; F324-D328 WeakPolarHBondContact O-CB 3.13Å; F324-D328 PolarHBondContact O-N 3.28Å; F324-D328 VanDerWaalsContact O-N 3.13Å; D328-S332 PolarHBondContact O-N 3.33Å; D328-V501 HydrophobicContact CB-CG1 4.45Å; D328-V501 WeakPolarHBondContact OD2-CG2 3.44Å; D328-R503 IonicContact OD1-CZ 2.73Å; D328-R503 IonicContact OD1-NH2 3.19Å; D328-R503 PolarHBondContact OD1-NH2 3.19Å; D328-R503 IonicContact OD2-CZ 3.8Å; D328-R503 IonicContact OD2-NH2 2.73Å; D328-R503 PolarHBondContact OD2-NH2 2.97Å
329	T	98.4	Very high	97.9	Very high	36 Å²	36	7.3 Å²	7.3	22%	0.221	4%	0.04	C	C	.	.	H	α-helix	trans	-72.8	-44.6	177.9	64	0	0	0	0	112.4	E325 H327 S331 S332 G333 P389 V390 V501	E325-T329 PolarHBondContact O-OG1 2.92Å; H327-T329 VanDerWaalsContact C-N 3.31Å; H327-T329 PolarHBondContact O-N 3.32Å; T329-S331 VanDerWaalsContact C-N 3.32Å; T329-S332 PolarHBondContact O-N 2.9Å; T329-G333 PolarHBondContact O-N 2.97Å; T329-P389 WeakPolarHBondContact O-CB 3.4Å; T329-V390 HydrophobicContact CG2-CG2 4.16Å; T329-V501 HydrophobicContact CG2-CG1 3.92Å
330	T	98.7	Very high	98	Very high	5 Å²	5	7.4 Å²	7.4	3%	0.031	4%	0.041	C	C	.	.	H	α-helix	trans	-72.1	-30	177.9	55.9	0	0	0	0	111.5	T197 G326 H327 S332 G333 I334 A469 E472	T197-T330 WeakPolarHBondContact CG2-OG1 3.43Å; G326-T330 PolarHBondContact O-OG1 3.28Å; H327-T330 PolarHBondContact O-N 3.06Å; H327-T330 PolarHBondContact O-OG1 2.83Å; T330-S332 VanDerWaalsContact C-N 3.33Å; T330-S332 PolarHBondContact O-N 3.34Å; T330-G333 PolarHBondContact O-N 3.28Å; T330-I334 WeakPolarHBondContact O-CB 3.48Å; T330-I334 VanDerWaalsContact O-CG1 3.28Å; T330-I334 WeakPolarHBondContact O-CG1 3.33Å; T330-I334 PolarHBondContact O-N 3.41Å; T330-A469 HydrophobicContact CG2-CB 3.76Å; T330-E472 WeakPolarHBondContact CB-OE2 3.3Å; T330-E472 VanDerWaalsContact CG2-OE2 3.22Å; T330-E472 WeakPolarHBondContact CG2-OE2 3.34Å; T330-E472 PolarHBondContact OG1-OE2 3.37Å
331	S	98.6	Very high	98.1	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-55.7	-49.6	170.5	-58.9	0	0	0	0	112	S194 T197 H327 T329 S335	S194-S331 VanDerWaalsContact CA-OG 3.29Å; S194-S331 WeakPolarHBondContact CA-OG 3.49Å; S194-S331 VanDerWaalsContact OG-CB 3.26Å; S194-S331 WeakPolarHBondContact OG-CB 3.41Å; S194-S331 PolarHBondContact OG-OG 3.48Å; T197-S331 PolarHBondContact OG1-OG 3.36Å; H327-S331 WeakPolarHBondContact O-CB 3.27Å; H327-S331 PolarHBondContact O-N 3.03Å; H327-S331 PolarHBondContact O-OG 3.5Å; T329-S331 VanDerWaalsContact C-N 3.32Å; S331-S335 VanDerWaalsContact O-CB 3.24Å; S331-S335 WeakPolarHBondContact O-CB 3.47Å; S331-S335 PolarHBondContact O-N 3.36Å; S331-S335 PolarHBondContact O-OG 3.37Å
332	S	98.7	Very high	98.1	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-61.6	-48.9	175.7	179.3	0	0	0	0	111.5	D328 T329 T330 S335 F336 L502	D328-S332 PolarHBondContact O-N 3.33Å; T329-S332 PolarHBondContact O-N 2.9Å; T330-S332 VanDerWaalsContact C-N 3.33Å; T330-S332 PolarHBondContact O-N 3.34Å; S332-S335 PolarHBondContact O-N 3.47Å; S332-F336 WeakPolarHBondContact O-CD2 3.38Å; S332-F336 PolarHBondContact O-N 3.29Å; S332-F336 VanDerWaalsContact O-N 3.08Å; S332-L502 WeakPolarHBondContact CB-O 3.38Å; S332-L502 PolarHBondContact OG-O 3.03Å
333	G	98.8	Very high	98.2	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.01	5%	0.048	C	C	.	.	H	α-helix	trans	-56.3	-56.6	179.6	0	0	0	0	0	112.9	T329 T330 S335 F336 I337	T329-G333 PolarHBondContact O-N 2.97Å; T330-G333 PolarHBondContact O-N 3.28Å; G333-S335 VanDerWaalsContact C-N 3.31Å; G333-S335 PolarHBondContact O-N 2.86Å; G333-F336 PolarHBondContact O-N 3.05Å; G333-I337 WeakPolarHBondContact O-CB 3.37Å; G333-I337 VanDerWaalsContact O-CD1 3.22Å; G333-I337 WeakPolarHBondContact O-CD1 3.43Å; G333-I337 WeakPolarHBondContact O-CG1 3.22Å; G333-I337 PolarHBondContact O-N 3.04Å
334	I	98.9	Very high	98.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-58	-47.1	179.8	-65	170.5	0	0	0	110	V193 M196 T197 T330 F336 I337 L338 E472 L473 V476	V193-I334 HydrophobicContact CG1-CB 3.68Å; V193-I334 HydrophobicContact CG1-CD1 4.19Å; V193-I334 HydrophobicContact CG1-CG2 3.67Å; V193-I334 HydrophobicContact CG2-CG2 4.08Å; M196-I334 HydrophobicContact CE-CD1 3.65Å; T197-I334 HydrophobicContact CG2-CD1 3.79Å; T330-I334 WeakPolarHBondContact O-CB 3.48Å; T330-I334 VanDerWaalsContact O-CG1 3.28Å; T330-I334 WeakPolarHBondContact O-CG1 3.33Å; T330-I334 PolarHBondContact O-N 3.41Å; I334-F336 VanDerWaalsContact C-N 3.33Å; I334-F336 PolarHBondContact O-N 3.03Å; I334-I337 WeakPolarHBondContact O-CB 3.38Å; I334-I337 PolarHBondContact O-N 3.4Å; I334-I337 VanDerWaalsContact O-N 3.11Å; I334-L338 HydrophobicContact CG2-CD1 3.91Å; I334-L338 HydrophobicContact CG2-CG 4.13Å; I334-L338 WeakPolarHBondContact O-CG 3.49Å; I334-L338 PolarHBondContact O-N 3.08Å; I334-E472 HydrophobicContact CD1-CG 4.34Å; I334-L473 HydrophobicContact CB-CD2 4.39Å; I334-L473 HydrophobicContact CD1-CD2 4.26Å; I334-L473 HydrophobicContact CG1-CD2 3.35Å; I334-V476 HydrophobicContact CD1-CB 3.92Å; I334-V476 HydrophobicContact CD1-CG1 4.05Å; I334-V476 HydrophobicContact CD1-CG2 3.87Å; I334-V476 HydrophobicContact CG1-CB 4.47Å; I334-V476 HydrophobicContact CG2-CB 4.4Å; I334-V476 HydrophobicContact CG2-CG1 3.68Å
335	S	98.8	Very high	98.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.4	-41.4	-174.1	-57.8	0	0	0	0	112.6	L189 F190 S331 S332 G333 Y339	L189-S335 VanDerWaalsContact CD1-CB 3.46Å; L189-S335 WeakPolarHBondContact CD1-OG 3.44Å; F190-S335 WeakPolarHBondContact CD2-OG 3.22Å; S331-S335 VanDerWaalsContact O-CB 3.24Å; S331-S335 WeakPolarHBondContact O-CB 3.47Å; S331-S335 PolarHBondContact O-N 3.36Å; S331-S335 PolarHBondContact O-OG 3.37Å; S332-S335 PolarHBondContact O-N 3.47Å; G333-S335 VanDerWaalsContact C-N 3.31Å; G333-S335 PolarHBondContact O-N 2.86Å; S335-Y339 WeakPolarHBondContact O-CB 3.36Å; S335-Y339 PolarHBondContact O-N 3.18Å
336	F	98.8	Very high	98.4	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-74.6	-29.9	175.3	-78.3	-70	0	0	0	113.3	S332 G333 I334 Y339 C340 S383 Y387 P494 I496 L502 I508	S332-F336 WeakPolarHBondContact O-CD2 3.38Å; S332-F336 PolarHBondContact O-N 3.29Å; S332-F336 VanDerWaalsContact O-N 3.08Å; G333-F336 PolarHBondContact O-N 3.05Å; I334-F336 VanDerWaalsContact C-N 3.33Å; I334-F336 PolarHBondContact O-N 3.03Å; F336-Y339 PolarHBondContact O-N 3.48Å; F336-C340 WeakPolarHBondContact O-CB 3.34Å; F336-C340 PolarHBondContact O-N 3.19Å; F336-C340 PolarHBondContact O-SG 3.08Å; F336-S383 PolarHBondContact O-OG 3.06Å; F336-Y387 HydrophobicContact CB-CD2 4.33Å; F336-Y387 HydrophobicContact CB-CG 3.94Å; F336-Y387 AromaticContact CD1-CD1 3.37Å; F336-Y387 HydrophobicContact CD1-CD1 3.37Å; F336-Y387 HydrophobicContact CD1-CD2 4.23Å; F336-Y387 AromaticContact CD1-CE1 3.91Å; F336-Y387 HydrophobicContact CD1-CE1 3.91Å; F336-Y387 AromaticContact CD1-CG 3.55Å; F336-Y387 HydrophobicContact CD1-CG 3.55Å; F336-Y387 AromaticContact CE1-CD1 3.54Å; F336-Y387 HydrophobicContact CE1-CD1 3.54Å; F336-Y387 AromaticContact CE1-CE1 3.93Å; F336-Y387 HydrophobicContact CE1-CE1 3.93Å; F336-Y387 HydrophobicContact CE1-CG 4.2Å; F336-Y387 AromaticContact CG-CD1 3.98Å; F336-Y387 HydrophobicContact CG-CD1 3.98Å; F336-Y387 AromaticContact CG-CG 3.78Å; F336-Y387 HydrophobicContact CG-CG 3.78Å; F336-Y387 HydrophobicContact CZ-CD1 4.27Å; F336-P494 HydrophobicContact CE1-CB 4.23Å; F336-I496 HydrophobicContact CE1-CG2 3.92Å; F336-I496 HydrophobicContact CZ-CG2 3.87Å; F336-L502 HydrophobicContact CD2-CD2 4.1Å; F336-L502 HydrophobicContact CD2-CG 4.47Å; F336-L502 HydrophobicContact CE2-CB 4.27Å; F336-L502 HydrophobicContact CE2-CD2 3.75Å; F336-L502 HydrophobicContact CE2-CG 3.71Å; F336-L502 HydrophobicContact CZ-CD2 4.12Å; F336-L502 HydrophobicContact CZ-CG 4.09Å; F336-I508 HydrophobicContact CD1-CD1 3.96Å; F336-I508 HydrophobicContact CD2-CD1 4.08Å; F336-I508 HydrophobicContact CE1-CD1 3.77Å; F336-I508 HydrophobicContact CE2-CD1 3.88Å; F336-I508 HydrophobicContact CG-CD1 4.11Å; F336-I508 HydrophobicContact CZ-CD1 3.72Å
337	I	98.9	Very high	98.6	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-61.7	-50.5	172.4	-70.9	156.9	0	0	0	110.1	G333 I334 Y339 C340 L341 I380 S383 L473 T477	G333-I337 WeakPolarHBondContact O-CB 3.37Å; G333-I337 VanDerWaalsContact O-CD1 3.22Å; G333-I337 WeakPolarHBondContact O-CD1 3.43Å; G333-I337 WeakPolarHBondContact O-CG1 3.22Å; G333-I337 PolarHBondContact O-N 3.04Å; I334-I337 WeakPolarHBondContact O-CB 3.38Å; I334-I337 PolarHBondContact O-N 3.4Å; I334-I337 VanDerWaalsContact O-N 3.11Å; I337-Y339 VanDerWaalsContact C-N 3.33Å; I337-Y339 PolarHBondContact O-N 3.23Å; I337-C340 PolarHBondContact O-N 3.29Å; I337-L341 HydrophobicContact CG2-CD1 3.75Å; I337-L341 WeakPolarHBondContact O-CG 3.32Å; I337-L341 PolarHBondContact O-N 3.27Å; I337-I380 HydrophobicContact CD1-CB 4.34Å; I337-I380 HydrophobicContact CD1-CG1 4.13Å; I337-I380 HydrophobicContact CD1-CG2 3.83Å; I337-I380 HydrophobicContact CG2-CG1 4.17Å; I337-S383 VanDerWaalsContact CA-OG 3.28Å; I337-S383 WeakPolarHBondContact CA-OG 3.5Å; I337-S383 WeakPolarHBondContact CG1-OG 3.41Å; I337-S383 PolarHBondContact N-OG 3.32Å; I337-L473 HydrophobicContact CD1-CB 4.17Å; I337-L473 HydrophobicContact CD1-CD1 3.98Å; I337-L473 HydrophobicContact CD1-CD2 3.93Å; I337-L473 HydrophobicContact CD1-CG 4.22Å; I337-T477 HydrophobicContact CG2-CG2 3.96Å; I337-T477 WeakPolarHBondContact CG2-OG1 3.31Å
338	L	98.9	Very high	98.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.5	-41	178.8	-61.9	-176.6	0	0	0	111.3	W177 L189 I334 L341 A342 T480 L486	W177-L338 HydrophobicContact CH2-CD1 3.84Å; W177-L338 HydrophobicContact CZ3-CD1 4.42Å; L189-L338 HydrophobicContact CD1-CD1 4.49Å; I334-L338 HydrophobicContact CG2-CD1 3.91Å; I334-L338 HydrophobicContact CG2-CG 4.13Å; I334-L338 WeakPolarHBondContact O-CG 3.49Å; I334-L338 PolarHBondContact O-N 3.08Å; L338-L341 PolarHBondContact O-N 3.06Å; L338-A342 WeakPolarHBondContact O-CB 3.36Å; L338-A342 PolarHBondContact O-N 3.06Å; L338-T480 HydrophobicContact CD1-CG2 4.24Å; L338-T480 HydrophobicContact CD2-CG2 3.84Å; L338-L486 HydrophobicContact CB-CD1 3.99Å; L338-L486 HydrophobicContact CD2-CD1 3.86Å; L338-L486 HydrophobicContact CG-CD1 4.46Å
339	Y	98.8	Very high	98.7	Very high	18 Å²	18	22.7 Å²	22.7	7%	0.071	12%	0.117	C	C	.	.	H	α-helix	trans	-61	-46.9	173.1	174.1	-100.2	0	0	0	112.5	S335 F336 I337 L341 A342 C343 P494 I508	S335-Y339 WeakPolarHBondContact O-CB 3.36Å; S335-Y339 PolarHBondContact O-N 3.18Å; F336-Y339 PolarHBondContact O-N 3.48Å; I337-Y339 VanDerWaalsContact C-N 3.33Å; I337-Y339 PolarHBondContact O-N 3.23Å; Y339-L341 VanDerWaalsContact C-N 3.31Å; Y339-L341 PolarHBondContact O-N 3.33Å; Y339-A342 WeakPolarHBondContact O-CB 2.95Å; Y339-A342 PolarHBondContact O-N 2.67Å; Y339-C343 PolarHBondContact O-N 3.02Å; Y339-C343 PolarHBondContact O-SG 2.69Å; Y339-P494 HydrophobicContact CD1-CG 4.31Å; Y339-P494 HydrophobicContact CD2-CG 3.75Å; Y339-P494 HydrophobicContact CE1-CG 4.18Å; Y339-P494 HydrophobicContact CE2-CG 3.58Å; Y339-P494 HydrophobicContact CG-CG 4.11Å; Y339-P494 WeakPolarHBondContact OH-CD 3.47Å; Y339-I508 HydrophobicContact CD2-CG2 4.14Å; Y339-I508 HydrophobicContact CG-CG2 4.22Å
340	C	98.8	Very high	98.7	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.02	13%	0.128	C	C	.	.	H	α-helix	trans	-59.3	-44.4	177.7	-70.6	0	0	0	0	111.1	F336 I337 A342 C343 H344 Y387 F435	F336-C340 WeakPolarHBondContact O-CB 3.34Å; F336-C340 PolarHBondContact O-N 3.19Å; F336-C340 PolarHBondContact O-SG 3.08Å; I337-C340 PolarHBondContact O-N 3.29Å; C340-A342 VanDerWaalsContact C-N 3.32Å; C340-A342 PolarHBondContact O-N 3.09Å; C340-C343 WeakPolarHBondContact O-CB 3.38Å; C340-C343 PolarHBondContact O-N 3.11Å; C340-C343 VanDerWaalsContact O-N 3.15Å; C340-H344 PolarHBondContact O-N 2.87Å; C340-H344 VanDerWaalsContact O-N 3.12Å; C340-H344 PolarHBondContact O-ND1 3.46Å; C340-Y387 VanDerWaalsContact SG-CD2 3.51Å; C340-Y387 WeakPolarHBondContact SG-CE2 3.43Å; C340-F435 HydrophobicContact CB-CD2 4.02Å; C340-F435 HydrophobicContact CB-CE2 3.55Å; C340-F435 HydrophobicContact CB-CZ 4.2Å
341	L	98.9	Very high	98.7	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-68.2	-31.4	178.9	-69.3	163.1	0	0	0	112.5	I337 L338 Y339 C343 H344 Q348 C379 T477 L481	I337-L341 HydrophobicContact CG2-CD1 3.75Å; I337-L341 WeakPolarHBondContact O-CG 3.32Å; I337-L341 PolarHBondContact O-N 3.27Å; L338-L341 PolarHBondContact O-N 3.06Å; Y339-L341 VanDerWaalsContact C-N 3.31Å; Y339-L341 PolarHBondContact O-N 3.33Å; L341-C343 VanDerWaalsContact C-N 3.3Å; L341-H344 CarbonylContact O-C 3.11Å; L341-H344 PolarHBondContact O-N 2.71Å; L341-Q348 HydrophobicContact CB-CB 4.48Å; L341-Q348 HydrophobicContact CB-CG 4.31Å; L341-Q348 PolarHBondContact O-NE2 3.17Å; L341-C379 HydrophobicContact CD2-CB 4.26Å; L341-T477 HydrophobicContact CD1-CG2 3.68Å; L341-L481 HydrophobicContact CD1-CD1 4.01Å; L341-L481 HydrophobicContact CD1-CD2 4.38Å; L341-L481 HydrophobicContact CD1-CG 4.48Å
342	A	98.6	Very high	98.7	Very high	3 Å²	3	26.7 Å²	26.7	3%	0.025	13%	0.133	C	C	.	.	H	α-helix	trans	-65.9	-33.6	171.4	0	0	0	0	0	112.4	L338 Y339 C340 L486 E488 I510	L338-A342 WeakPolarHBondContact O-CB 3.36Å; L338-A342 PolarHBondContact O-N 3.06Å; Y339-A342 WeakPolarHBondContact O-CB 2.95Å; Y339-A342 PolarHBondContact O-N 2.67Å; C340-A342 VanDerWaalsContact C-N 3.32Å; C340-A342 PolarHBondContact O-N 3.09Å; A342-L486 HydrophobicContact CB-CB 3.82Å; A342-E488 PolarHBondContact O-N 2.94Å; A342-I510 HydrophobicContact CB-CG2 4.02Å
343	C	98.5	Very high	98.7	Very high	29 Å²	29	30.4 Å²	30.4	20%	0.196	15%	0.153	C	C	.	.	H	α-helix	trans	-79.2	-15.4	176.6	-58.9	0	0	0	0	113.7	Y339 C340 L341	Y339-C343 PolarHBondContact O-N 3.02Å; Y339-C343 PolarHBondContact O-SG 2.69Å; C340-C343 WeakPolarHBondContact O-CB 3.38Å; C340-C343 PolarHBondContact O-N 3.11Å; C340-C343 VanDerWaalsContact O-N 3.15Å; L341-C343 VanDerWaalsContact C-N 3.3Å
344	H	98.7	Very high	98.6	Very high	50 Å²	50	31.8 Å²	31.8	23%	0.231	16%	0.159	C	C	.	.			trans	-130.3	73.1	-175.1	-59.1	89.1	0	0	0	111.1	C340 L341 E346 H347 Q348 F435	C340-H344 PolarHBondContact O-N 2.87Å; C340-H344 VanDerWaalsContact O-N 3.12Å; C340-H344 PolarHBondContact O-ND1 3.46Å; L341-H344 CarbonylContact O-C 3.11Å; L341-H344 PolarHBondContact O-N 2.71Å; H344-E346 VanDerWaalsContact C-OE2 3.25Å; H344-E346 WeakPolarHBondContact CA-OE2 3.37Å; H344-E346 WeakPolarHBondContact CB-OE1 3.45Å; H344-E346 IonicContact CD2-OE1 2.61Å; H344-E346 IonicContact CG-OE1 3.63Å; H344-E346 PolarHBondContact O-N 2.83Å; H344-E346 VanDerWaalsContact O-N 3.16Å; H344-H347 HydrophobicContact CB-CB 4.18Å; H344-H347 PolarHBondContact O-N 3.15Å; H344-H347 VanDerWaalsContact O-N 3.09Å; H344-Q348 PolarHBondContact O-N 3.21Å; H344-F435 AromaticContact CE1-CG 3.76Å; H344-F435 AromaticContact ND1-CG 3.98Å; H344-F435 WeakPolarHBondContact NE2-CB 3.41Å
345	P	98.3	Very high	98.6	Very high	74 Å²	74	31.8 Å²	31.8	48%	0.481	16%	0.159	S	C	.	.	H	α-helix	trans	-56.9	-30.1	-176.2	-24.9	35.1	0	0	0	114.2	Q348 K349	P345-Q348 WeakPolarHBondContact O-CB 3.01Å; P345-Q348 PolarHBondContact O-N 3.07Å; P345-K349 WeakPolarHBondContact O-CB 3.43Å; P345-K349 PolarHBondContact O-N 2.88Å
346	E	98.4	Very high	98.5	Very high	100 Å²	100	33.8 Å²	33.8	47%	0.467	17%	0.173	S	C	.	.	H	α-helix	trans	-63	-45.6	175.6	71.6	-68.5	169.4	0	0	112.1	H344 L350	H344-E346 VanDerWaalsContact C-OE2 3.25Å; H344-E346 WeakPolarHBondContact CA-OE2 3.37Å; H344-E346 WeakPolarHBondContact CB-OE1 3.45Å; H344-E346 IonicContact CD2-OE1 2.61Å; H344-E346 IonicContact CG-OE1 3.63Å; H344-E346 PolarHBondContact O-N 2.83Å; H344-E346 VanDerWaalsContact O-N 3.16Å; E346-L350 WeakPolarHBondContact O-CG 3.3Å; E346-L350 PolarHBondContact O-N 3.11Å
347	H	98.8	Very high	98.4	Very high	27 Å²	27	41.1 Å²	41.1	13%	0.125	21%	0.207	C	C	.	.	H	α-helix	trans	-72.3	-36.6	175.9	-64.1	-44.1	0	0	0	111.1	H344 K349 L350 C351 Y375 F435	H344-H347 HydrophobicContact CB-CB 4.18Å; H344-H347 PolarHBondContact O-N 3.15Å; H344-H347 VanDerWaalsContact O-N 3.09Å; H347-K349 VanDerWaalsContact C-N 3.33Å; H347-K349 PolarHBondContact O-N 3.45Å; H347-L350 PolarHBondContact O-N 2.9Å; H347-C351 WeakPolarHBondContact O-CB 3.46Å; H347-C351 PolarHBondContact O-N 3.19Å; H347-C351 PolarHBondContact O-SG 3.11Å; H347-Y375 AromaticContact ND1-CZ 4Å; H347-Y375 PolarHBondContact ND1-OH 3.28Å; H347-F435 HydrophobicContact CB-CE1 4.48Å; H347-F435 AromaticContact CD2-CD1 3.58Å; H347-F435 AromaticContact CD2-CE1 3.68Å
348	Q	98.8	Very high	98.3	Very high	3 Å²	3	41.4 Å²	41.4	1%	0.014	21%	0.21	C	C	.	.	H	α-helix	trans	-58.9	-43.9	175.4	-163.7	-170.2	141.1	0	0	112.1	L341 H344 P345 C351 R352 L481 L486	L341-Q348 HydrophobicContact CB-CB 4.48Å; L341-Q348 HydrophobicContact CB-CG 4.31Å; L341-Q348 PolarHBondContact O-NE2 3.17Å; H344-Q348 PolarHBondContact O-N 3.21Å; P345-Q348 WeakPolarHBondContact O-CB 3.01Å; P345-Q348 PolarHBondContact O-N 3.07Å; Q348-C351 PolarHBondContact O-N 3.23Å; Q348-R352 WeakPolarHBondContact O-CB 3.47Å; Q348-R352 PolarHBondContact O-N 3.32Å; Q348-L481 HydrophobicContact CG-CD1 4.46Å; Q348-L481 HydrophobicContact CG-CD2 3.61Å; Q348-L486 PolarHBondContact NE2-O 2.88Å
349	K	98.4	Very high	98.1	Very high	125 Å²	125	41.5 Å²	41.5	54%	0.543	21%	0.21	S	C	.	.	H	α-helix	trans	-62.9	-49.6	177	-174.7	-178.2	176.3	-173.4	0	111.3	P345 H347 C351 R352 D353	P345-K349 WeakPolarHBondContact O-CB 3.43Å; P345-K349 PolarHBondContact O-N 2.88Å; H347-K349 VanDerWaalsContact C-N 3.33Å; H347-K349 PolarHBondContact O-N 3.45Å; K349-C351 VanDerWaalsContact C-N 3.31Å; K349-C351 PolarHBondContact O-N 3.46Å; K349-R352 WeakPolarHBondContact O-CB 3.07Å; K349-R352 PolarHBondContact O-N 3.41Å; K349-D353 VanDerWaalsContact O-CG 3.28Å; K349-D353 PolarHBondContact O-N 3.24Å
350	L	98.6	Very high	97.8	Very high	87 Å²	87	48.6 Å²	48.6	46%	0.455	24%	0.244	S	C	.	.	H	α-helix	trans	-59.7	-40.8	178.3	-69.3	173	0	0	0	112.5	E346 H347 E354 Y375	E346-L350 WeakPolarHBondContact O-CG 3.3Å; E346-L350 PolarHBondContact O-N 3.11Å; H347-L350 PolarHBondContact O-N 2.9Å; L350-E354 WeakPolarHBondContact O-CB 3.46Å; L350-E354 PolarHBondContact O-N 2.86Å; L350-E354 VanDerWaalsContact O-N 3.15Å; L350-Y375 HydrophobicContact CB-CD1 3.9Å; L350-Y375 HydrophobicContact CB-CE1 3.49Å; L350-Y375 VanDerWaalsContact CB-CE1 3.49Å; L350-Y375 HydrophobicContact CD1-CE1 3.93Å; L350-Y375 HydrophobicContact CD1-CE2 4.37Å; L350-Y375 VanDerWaalsContact CD1-OH 3.32Å; L350-Y375 WeakPolarHBondContact CD1-OH 3.46Å; L350-Y375 HydrophobicContact CG-CE1 4.38Å
351	C	98.8	Very high	97.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-48.1	171.9	-72.1	0	0	0	0	111.3	H347 Q348 K349 D353 E354 I355 T376 L481	H347-C351 WeakPolarHBondContact O-CB 3.46Å; H347-C351 PolarHBondContact O-N 3.19Å; H347-C351 PolarHBondContact O-SG 3.11Å; Q348-C351 PolarHBondContact O-N 3.23Å; K349-C351 VanDerWaalsContact C-N 3.31Å; K349-C351 PolarHBondContact O-N 3.46Å; C351-D353 PolarHBondContact O-N 2.83Å; C351-E354 PolarHBondContact O-N 3.1Å; C351-I355 HydrophobicContact CB-CD1 4.28Å; C351-I355 WeakPolarHBondContact O-CB 3.46Å; C351-I355 WeakPolarHBondContact O-CD1 3.31Å; C351-I355 WeakPolarHBondContact O-CG1 3.41Å; C351-I355 PolarHBondContact O-N 2.78Å; C351-T376 HydrophobicContact CB-CG2 4.46Å; C351-L481 HydrophobicContact CB-CD1 3.5Å
352	R	98.4	Very high	96.8	Very high	38 Å²	38	54.6 Å²	54.6	14%	0.143	29%	0.286	C	S	.	.	H	α-helix	trans	-59.3	-47.8	-179.2	-172.5	-175.5	-56.7	125.7	5.3	111.7	Q348 K349 E354 I355 C356 L481	Q348-R352 WeakPolarHBondContact O-CB 3.47Å; Q348-R352 PolarHBondContact O-N 3.32Å; K349-R352 WeakPolarHBondContact O-CB 3.07Å; K349-R352 PolarHBondContact O-N 3.41Å; R352-E354 VanDerWaalsContact C-N 3.34Å; R352-E354 PolarHBondContact O-N 3.21Å; R352-I355 PolarHBondContact O-N 2.87Å; R352-C356 WeakPolarHBondContact O-CB 3.2Å; R352-C356 PolarHBondContact O-N 2.82Å; R352-C356 PolarHBondContact O-SG 2.92Å; R352-C356 VanDerWaalsContact O-SG 3.36Å; R352-L481 PolarHBondContact NE-O 2.82Å; R352-L481 VanDerWaalsContact NE-O 3.11Å
353	D	98	Very high	96.3	Very high	77 Å²	77	59.8 Å²	59.8	41%	0.412	31%	0.313	S	S	.	.	H	α-helix	trans	-58.4	-47.6	179.7	-62.2	-10.5	0	0	0	110.2	K349 C351 I355 C356 E357	K349-D353 VanDerWaalsContact O-CG 3.28Å; K349-D353 PolarHBondContact O-N 3.24Å; C351-D353 PolarHBondContact O-N 2.83Å; D353-I355 PolarHBondContact O-N 2.47Å; D353-C356 PolarHBondContact O-N 2.91Å; D353-E357 PolarHBondContact O-N 3.14Å; D353-E357 VanDerWaalsContact O-N 3.07Å
354	E	98.3	Very high	96	Very high	30 Å²	30	60.5 Å²	60.5	14%	0.14	32%	0.317	C	S	.	.	H	α-helix	trans	-60.2	-42.5	175.4	-177.4	-172	-121.7	0	0	112.8	L350 C351 R352 A358 I373 P374 Y375 T376	L350-E354 WeakPolarHBondContact O-CB 3.46Å; L350-E354 PolarHBondContact O-N 2.86Å; L350-E354 VanDerWaalsContact O-N 3.15Å; C351-E354 PolarHBondContact O-N 3.1Å; R352-E354 VanDerWaalsContact C-N 3.34Å; R352-E354 PolarHBondContact O-N 3.21Å; E354-A358 WeakPolarHBondContact O-CB 3.34Å; E354-A358 PolarHBondContact O-N 3.03Å; E354-I373 VanDerWaalsContact CD-C 3.44Å; E354-I373 HydrophobicContact CG-CB 4.36Å; E354-I373 HydrophobicContact CG-CG2 4.21Å; E354-I373 VanDerWaalsContact OE2-CA 3.25Å; E354-I373 WeakPolarHBondContact OE2-CA 3.21Å; E354-I373 WeakPolarHBondContact OE2-CB 3.44Å; E354-P374 WeakPolarHBondContact OE1-CD 3.15Å; E354-P374 WeakPolarHBondContact OE1-CG 3.26Å; E354-P374 VanDerWaalsContact OE1-N 3.1Å; E354-Y375 WeakPolarHBondContact OE1-CA 3.23Å; E354-Y375 WeakPolarHBondContact OE1-CB 3.38Å; E354-Y375 PolarHBondContact OE1-N 2.7Å; E354-Y375 PolarHBondContact OE2-N 2.93Å; E354-T376 WeakPolarHBondContact OE2-CB 3.39Å; E354-T376 PolarHBondContact OE2-N 2.99Å; E354-T376 PolarHBondContact OE2-OG1 2.89Å
355	I	98.2	Very high	95.9	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-67.3	-44	179.7	-71.2	156	0	0	0	111.1	C351 R352 D353 E357 A358 L359 I373 T376 A478 L481 K482	C351-I355 HydrophobicContact CB-CD1 4.28Å; C351-I355 WeakPolarHBondContact O-CB 3.46Å; C351-I355 WeakPolarHBondContact O-CD1 3.31Å; C351-I355 WeakPolarHBondContact O-CG1 3.41Å; C351-I355 PolarHBondContact O-N 2.78Å; R352-I355 PolarHBondContact O-N 2.87Å; D353-I355 PolarHBondContact O-N 2.47Å; I355-E357 VanDerWaalsContact C-N 3.33Å; I355-A358 PolarHBondContact O-N 3.18Å; I355-L359 HydrophobicContact CG2-CD1 3.74Å; I355-L359 HydrophobicContact CG2-CG 4.29Å; I355-L359 WeakPolarHBondContact O-CB 3.01Å; I355-L359 WeakPolarHBondContact O-CG 3.4Å; I355-L359 PolarHBondContact O-N 3.01Å; I355-I373 HydrophobicContact CG1-CG2 3.99Å; I355-T376 HydrophobicContact CD1-CG2 4.19Å; I355-A478 HydrophobicContact CD1-CB 4.09Å; I355-A478 HydrophobicContact CG1-CB 4.03Å; I355-A478 HydrophobicContact CG2-CB 3.9Å; I355-L481 HydrophobicContact CD1-CB 4.04Å; I355-L481 HydrophobicContact CD1-CD1 3.92Å; I355-L481 HydrophobicContact CD1-CG 4.5Å; I355-K482 HydrophobicContact CG2-CB 4.43Å
356	C	96.4	Very high	95.6	Very high	42 Å²	42	59.1 Å²	59.1	28%	0.284	30%	0.304	S	S	.	.	H	α-helix	trans	-61.6	-43.8	178.2	-73.7	0	0	0	0	110.9	R352 D353 L359 Q360	R352-C356 WeakPolarHBondContact O-CB 3.2Å; R352-C356 PolarHBondContact O-N 2.82Å; R352-C356 PolarHBondContact O-SG 2.92Å; R352-C356 VanDerWaalsContact O-SG 3.36Å; D353-C356 PolarHBondContact O-N 2.91Å; C356-L359 PolarHBondContact O-N 3.48Å; C356-Q360 PolarHBondContact O-N 2.63Å
357	E	96.5	Very high	95.5	Very high	154 Å²	154	56.7 Å²	56.7	72%	0.72	29%	0.291	S	S	*	.	H	α-helix	trans	-62	-44.5	174.3	-173.8	179.6	179	0	0	111.9	D353 I355 L359 Q360	D353-E357 PolarHBondContact O-N 3.14Å; D353-E357 VanDerWaalsContact O-N 3.07Å; I355-E357 VanDerWaalsContact C-N 3.33Å; E357-L359 PolarHBondContact O-N 3.03Å; E357-Q360 WeakPolarHBondContact O-CG 3.37Å
358	A	96.8	Very high	95.4	Very high	8 Å²	8	60.5 Å²	60.5	7%	0.066	31%	0.309	C	S	.	.	H	α-helix	trans	-64.4	-39.3	-180	0	0	0	0	0	113.2	E354 I355 K372 I373	E354-A358 WeakPolarHBondContact O-CB 3.34Å; E354-A358 PolarHBondContact O-N 3.03Å; I355-A358 PolarHBondContact O-N 3.18Å; A358-K372 HydrophobicContact CB-CB 3.69Å; A358-K372 HydrophobicContact CB-CD 4.4Å; A358-I373 HydrophobicContact CB-CG2 3.76Å
359	L	95.1	Very high	95.3	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-86.5	-22.2	-175.9	-67.2	179.5	0	0	0	113.5	I355 C356 E357 G361 K362 M365 D369 L479 K482	I355-L359 HydrophobicContact CG2-CD1 3.74Å; I355-L359 HydrophobicContact CG2-CG 4.29Å; I355-L359 WeakPolarHBondContact O-CB 3.01Å; I355-L359 WeakPolarHBondContact O-CG 3.4Å; I355-L359 PolarHBondContact O-N 3.01Å; C356-L359 PolarHBondContact O-N 3.48Å; E357-L359 PolarHBondContact O-N 3.03Å; L359-G361 PolarHBondContact O-N 3.06Å; L359-K362 HydrophobicContact CB-CB 4.42Å; L359-K362 VanDerWaalsContact O-CB 3.24Å; L359-K362 WeakPolarHBondContact O-CB 3.49Å; L359-K362 WeakPolarHBondContact O-CG 3.36Å; L359-K362 PolarHBondContact O-N 3.31Å; L359-M365 HydrophobicContact CD2-CB 4.24Å; L359-M365 HydrophobicContact CD2-CG 4.12Å; L359-D369 HydrophobicContact CD2-CB 4.26Å; L359-L479 HydrophobicContact CD1-CD2 4.44Å; L359-K482 HydrophobicContact CD1-CD 4Å
360	Q	92.1	Very high	95.2	Very high	167 Å²	167	54.7 Å²	54.7	78%	0.78	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	44.6	179	-57.1	-174.9	-20.2	0	0	112.8	C356 E357 K362	C356-Q360 PolarHBondContact O-N 2.63Å; E357-Q360 WeakPolarHBondContact O-CG 3.37Å; Q360-K362 PolarHBondContact O-N 2.75Å
361	G	86.9	Confident	95.1	Very high	58 Å²	58	56.7 Å²	56.7	60%	0.598	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	-13.5	-178.9	0	0	0	0	0	115.8	L359 D363 K482	L359-G361 PolarHBondContact O-N 3.06Å; G361-D363 PolarHBondContact O-N 3.24Å; G361-K482 PolarHBondContact O-NZ 2.86Å; G361-K482 VanDerWaalsContact O-NZ 3.09Å
362	K	90.8	Very high	95.1	Very high	73 Å²	73	61.5 Å²	61.5	32%	0.317	32%	0.316	S	S	.	.			trans	-55.4	135.5	177.7	-67.1	176.4	-168.9	-177.5	0	112.2	L359 Q360 T364 E366 D369 K482	L359-K362 HydrophobicContact CB-CB 4.42Å; L359-K362 VanDerWaalsContact O-CB 3.24Å; L359-K362 WeakPolarHBondContact O-CB 3.49Å; L359-K362 WeakPolarHBondContact O-CG 3.36Å; L359-K362 PolarHBondContact O-N 3.31Å; Q360-K362 PolarHBondContact O-N 2.75Å; K362-T364 VanDerWaalsContact C-N 3.33Å; K362-E366 IonicContact NZ-OE2 3.86Å; K362-E366 PolarHBondContact NZ-OE2 3Å; K362-D369 IonicContact NZ-OD1 4Å; K362-D369 IonicContact NZ-OD2 2.83Å; K362-D369 PolarHBondContact NZ-OD2 3.48Å; K362-K482 VanDerWaalsContact C-NZ 3.3Å; K362-K482 PolarHBondContact O-NZ 3.46Å
363	D	87.8	Confident	95.1	Very high	112 Å²	112	59.8 Å²	59.8	60%	0.599	31%	0.309	S	S	*	.	S	Bend	trans	-84.5	-7.7	176.8	-70.5	-28.9	0	0	0	114.3	G361 K482	G361-D363 PolarHBondContact O-N 3.24Å; D363-K482 IonicContact OD1-NZ 3.86Å; D363-K482 PolarHBondContact OD1-NZ 2.87Å
364	T	92.5	Very high	95.1	Very high	43 Å²	43	59.7 Å²	59.7	26%	0.264	31%	0.313	S	S	.	.	S	Bend	trans	-127.5	145.9	178	55.9	0	0	0	0	109.5	K362	K362-T364 VanDerWaalsContact C-N 3.33Å
365	M	95.1	Very high	95.2	Very high	1 Å²	1	60 Å²	60	1%	0.005	31%	0.313	C	S	.	.			trans	-89.3	138.3	173.8	-166	169.3	-157.5	0	0	110	V163 S167 L359 D369 L370 I373 V475 A478	V163-M365 HydrophobicContact CG1-CB 4.42Å; V163-M365 HydrophobicContact CG1-CG 4.42Å; V163-M365 WeakPolarHBondContact CG1-O 3.45Å; S167-M365 PolarHBondContact OG-N 3.18Å; S167-M365 PolarHBondContact OG-O 2.9Å; L359-M365 HydrophobicContact CD2-CB 4.24Å; L359-M365 HydrophobicContact CD2-CG 4.12Å; M365-D369 HydrophobicContact CE-CB 3.97Å; M365-D369 WeakPolarHBondContact CE-O 3.35Å; M365-D369 HydrophobicContact CG-CB 3.97Å; M365-L370 HydrophobicContact CE-CD2 3.88Å; M365-L370 HydrophobicContact CE-CG 4.39Å; M365-L370 HydrophobicContact SD-CD2 3.76Å; M365-I373 HydrophobicContact CE-CD1 3.73Å; M365-I373 HydrophobicContact CE-CG1 4.1Å; M365-V475 HydrophobicContact CB-CG2 4.26Å; M365-V475 HydrophobicContact CG-CG2 4.38Å; M365-V475 HydrophobicContact SD-CB 4.4Å; M365-V475 HydrophobicContact SD-CG2 3.92Å; M365-A478 HydrophobicContact SD-CB 4.04Å
366	E	93.5	Very high	95.2	Very high	94 Å²	94	60 Å²	60	44%	0.439	31%	0.313	S	S	.	.			trans	-108.5	167.4	173.1	-63.2	179.3	143.2	0	0	110.9	K362 E368 D369	K362-E366 IonicContact NZ-OE2 3.86Å; K362-E366 PolarHBondContact NZ-OE2 3Å; E366-E368 VanDerWaalsContact C-N 3.26Å; E366-E368 PolarHBondContact O-N 2.92Å; E366-D369 PolarHBondContact N-OD2 3.01Å; E366-D369 WeakPolarHBondContact O-CB 3.48Å; E366-D369 PolarHBondContact O-N 2.95Å; E366-D369 VanDerWaalsContact O-N 3.08Å
367	W	96.2	Very high	95.3	Very high	49 Å²	49	58.9 Å²	58.9	19%	0.186	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-57.5	-40.4	-175.4	174.4	-93	0	0	0	112.7	L159 K160 V163 D369 L370 N471	L159-W367 HydrophobicContact CB-CH2 4.12Å; L159-W367 HydrophobicContact CB-CZ3 3.6Å; K160-W367 HydrophobicContact CB-CB 4.45Å; K160-W367 HydrophobicContact CB-CD2 4.24Å; K160-W367 HydrophobicContact CB-CE3 4.24Å; K160-W367 HydrophobicContact CB-CG 4.33Å; K160-W367 HydrophobicContact CD-CG 4.46Å; K160-W367 HydrophobicContact CG-CB 3.95Å; K160-W367 HydrophobicContact CG-CD2 3.36Å; K160-W367 HydrophobicContact CG-CE3 3.77Å; K160-W367 HydrophobicContact CG-CG 3.41Å; K160-W367 VanDerWaalsContact CG-CG 3.41Å; K160-W367 HydrophobicContact CG-CZ2 4.4Å; K160-W367 HydrophobicContact CG-CZ3 4.39Å; V163-W367 HydrophobicContact CG2-CB 4.25Å; V163-W367 HydrophobicContact CG2-CE3 3.68Å; V163-W367 HydrophobicContact CG2-CZ3 4.49Å; W367-D369 PolarHBondContact O-N 3.42Å; W367-L370 HydrophobicContact CD2-CD1 4.34Å; W367-L370 HydrophobicContact CE3-CD1 3.98Å; W367-L370 WeakPolarHBondContact O-CB 3.37Å; W367-L370 PolarHBondContact O-N 3.34Å; W367-N471 WeakPolarHBondContact CZ3-ND2 3.46Å
368	E	95.8	Very high	95.4	Very high	108 Å²	108	52.6 Å²	52.6	51%	0.505	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-66.6	-26.5	-178.6	-66.2	65.9	-143.2	0	0	112.1	E366 L370	E366-E368 VanDerWaalsContact C-N 3.26Å; E366-E368 PolarHBondContact O-N 2.92Å; E368-L370 VanDerWaalsContact C-N 3.33Å
369	D	96.9	Very high	95.5	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-75.8	-23.6	-178.7	-57.9	-35.9	0	0	0	111.6	L359 K362 M365 E366 W367 N371 K372	L359-D369 HydrophobicContact CD2-CB 4.26Å; K362-D369 IonicContact NZ-OD1 4Å; K362-D369 IonicContact NZ-OD2 2.83Å; K362-D369 PolarHBondContact NZ-OD2 3.48Å; M365-D369 HydrophobicContact CE-CB 3.97Å; M365-D369 WeakPolarHBondContact CE-O 3.35Å; M365-D369 HydrophobicContact CG-CB 3.97Å; E366-D369 PolarHBondContact N-OD2 3.01Å; E366-D369 WeakPolarHBondContact O-CB 3.48Å; E366-D369 PolarHBondContact O-N 2.95Å; E366-D369 VanDerWaalsContact O-N 3.08Å; W367-D369 PolarHBondContact O-N 3.42Å; D369-N371 PolarHBondContact O-N 3.1Å; D369-N371 VanDerWaalsContact O-N 3.14Å; D369-K372 WeakPolarHBondContact O-CB 3.39Å; D369-K372 PolarHBondContact O-N 3.31Å; D369-K372 IonicContact OD1-NZ 3.56Å; D369-K372 PolarHBondContact OD1-NZ 3.24Å
370	L	97.4	Very high	95.7	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.021	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-59.8	-29	-178.6	-67.3	171.2	0	0	0	113.6	V163 M365 W367 E368 N471 K474 V475	V163-L370 HydrophobicContact CG1-CD1 4.31Å; V163-L370 HydrophobicContact CG1-CD2 4.5Å; V163-L370 HydrophobicContact CG1-CG 4.41Å; V163-L370 HydrophobicContact CG2-CD1 3.74Å; M365-L370 HydrophobicContact CE-CD2 3.88Å; M365-L370 HydrophobicContact CE-CG 4.39Å; M365-L370 HydrophobicContact SD-CD2 3.76Å; W367-L370 HydrophobicContact CD2-CD1 4.34Å; W367-L370 HydrophobicContact CE3-CD1 3.98Å; W367-L370 WeakPolarHBondContact O-CB 3.37Å; W367-L370 PolarHBondContact O-N 3.34Å; E368-L370 VanDerWaalsContact C-N 3.33Å; L370-N471 HydrophobicContact CD1-CB 4.07Å; L370-K474 HydrophobicContact CB-CD 4.38Å; L370-K474 HydrophobicContact CD2-CB 3.73Å; L370-K474 HydrophobicContact CD2-CD 3.99Å; L370-K474 PolarHBondContact O-NZ 3.37Å; L370-V475 HydrophobicContact CD2-CG2 4.03Å
371	N	96.6	Very high	96	Very high	129 Å²	129	47.7 Å²	47.7	69%	0.69	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-87.9	-8.7	179.6	-70.3	-33.2	0	0	0	113.2	D369	D369-N371 PolarHBondContact O-N 3.1Å; D369-N371 VanDerWaalsContact O-N 3.14Å
372	K	98.3	Very high	96.6	Very high	102 Å²	102	45 Å²	45	44%	0.443	22%	0.222	S	C	.	.	S	Bend	trans	-90.7	1	-179	-57.3	178.1	-169.2	161.8	0	113.6	A358 D369 P374	A358-K372 HydrophobicContact CB-CB 3.69Å; A358-K372 HydrophobicContact CB-CD 4.4Å; D369-K372 WeakPolarHBondContact O-CB 3.39Å; D369-K372 PolarHBondContact O-N 3.31Å; D369-K372 IonicContact OD1-NZ 3.56Å; D369-K372 PolarHBondContact OD1-NZ 3.24Å; K372-P374 VanDerWaalsContact O-CD 3.28Å; K372-P374 WeakPolarHBondContact O-CD 3.31Å
373	I	98.4	Very high	97	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.207	C	C	.	.			trans	-117.7	54.1	179.5	57.4	158.8	0	0	0	113.4	E354 I355 A358 M365 Y375 T376 T377 K474	E354-I373 VanDerWaalsContact CD-C 3.44Å; E354-I373 HydrophobicContact CG-CB 4.36Å; E354-I373 HydrophobicContact CG-CG2 4.21Å; E354-I373 VanDerWaalsContact OE2-CA 3.25Å; E354-I373 WeakPolarHBondContact OE2-CA 3.21Å; E354-I373 WeakPolarHBondContact OE2-CB 3.44Å; I355-I373 HydrophobicContact CG1-CG2 3.99Å; A358-I373 HydrophobicContact CB-CG2 3.76Å; M365-I373 HydrophobicContact CE-CD1 3.73Å; M365-I373 HydrophobicContact CE-CG1 4.1Å; I373-Y375 PolarHBondContact O-N 3.37Å; I373-T376 HydrophobicContact CD1-CG2 4.19Å; I373-T376 PolarHBondContact O-N 3.23Å; I373-T377 PolarHBondContact O-N 2.86Å; I373-T377 PolarHBondContact O-OG1 3.21Å; I373-K474 HydrophobicContact CD1-CB 4.05Å; I373-K474 HydrophobicContact CD1-CD 4.28Å; I373-K474 HydrophobicContact CD1-CG 4.05Å
374	P	98.4	Very high	97.5	Very high	75 Å²	75	36.3 Å²	36.3	49%	0.487	18%	0.179	S	C	.	.	H	α-helix	trans	-61.3	-38.2	-176.4	25.8	-35.6	0	0	0	114.2	E354 K372 T377 M378	E354-P374 WeakPolarHBondContact OE1-CD 3.15Å; E354-P374 WeakPolarHBondContact OE1-CG 3.26Å; E354-P374 VanDerWaalsContact OE1-N 3.1Å; K372-P374 VanDerWaalsContact O-CD 3.28Å; K372-P374 WeakPolarHBondContact O-CD 3.31Å; P374-T377 VanDerWaalsContact O-CB 3.27Å; P374-T377 WeakPolarHBondContact O-CB 3.37Å; P374-T377 PolarHBondContact O-N 3.43Å; P374-M378 WeakPolarHBondContact O-CG 3.47Å; P374-M378 PolarHBondContact O-N 2.83Å
375	Y	98.8	Very high	97.8	Very high	36 Å²	36	34.2 Å²	34.2	14%	0.141	17%	0.167	C	C	.	.	H	α-helix	trans	-66.4	-46.5	177.8	-170.1	-94.1	0	0	0	111.7	H347 L350 E354 I373 T377 M378 C379 L438	H347-Y375 AromaticContact ND1-CZ 4Å; H347-Y375 PolarHBondContact ND1-OH 3.28Å; L350-Y375 HydrophobicContact CB-CD1 3.9Å; L350-Y375 HydrophobicContact CB-CE1 3.49Å; L350-Y375 VanDerWaalsContact CB-CE1 3.49Å; L350-Y375 HydrophobicContact CD1-CE1 3.93Å; L350-Y375 HydrophobicContact CD1-CE2 4.37Å; L350-Y375 VanDerWaalsContact CD1-OH 3.32Å; L350-Y375 WeakPolarHBondContact CD1-OH 3.46Å; L350-Y375 HydrophobicContact CG-CE1 4.38Å; E354-Y375 WeakPolarHBondContact OE1-CA 3.23Å; E354-Y375 WeakPolarHBondContact OE1-CB 3.38Å; E354-Y375 PolarHBondContact OE1-N 2.7Å; E354-Y375 PolarHBondContact OE2-N 2.93Å; I373-Y375 PolarHBondContact O-N 3.37Å; Y375-T377 PolarHBondContact O-N 3.34Å; Y375-M378 HydrophobicContact CD2-CE 3.62Å; Y375-M378 HydrophobicContact CE2-CE 4.4Å; Y375-M378 HydrophobicContact CG-CE 4.29Å; Y375-M378 WeakPolarHBondContact O-CA 3.34Å; Y375-M378 VanDerWaalsContact O-CB 3.31Å; Y375-M378 WeakPolarHBondContact O-CB 3.38Å; Y375-M378 PolarHBondContact O-N 3.46Å; Y375-C379 PolarHBondContact O-N 3.04Å; Y375-L438 HydrophobicContact CE2-CD2 4.14Å
376	T	98.9	Very high	98	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57.5	-38.5	171.7	-54.2	0	0	0	0	111.1	C351 E354 I355 I373 M378 C379 I380 T477	C351-T376 HydrophobicContact CB-CG2 4.46Å; E354-T376 WeakPolarHBondContact OE2-CB 3.39Å; E354-T376 PolarHBondContact OE2-N 2.99Å; E354-T376 PolarHBondContact OE2-OG1 2.89Å; I355-T376 HydrophobicContact CD1-CG2 4.19Å; I373-T376 HydrophobicContact CD1-CG2 4.19Å; I373-T376 PolarHBondContact O-N 3.23Å; T376-M378 VanDerWaalsContact C-N 3.3Å; T376-M378 PolarHBondContact O-N 3.45Å; T376-C379 PolarHBondContact O-N 3.07Å; T376-I380 HydrophobicContact CG2-CD1 4.26Å; T376-I380 VanDerWaalsContact O-CG1 3.3Å; T376-I380 WeakPolarHBondContact O-CG1 3.37Å; T376-I380 PolarHBondContact O-N 3.44Å; T376-T477 HydrophobicContact CG2-CG2 4.08Å
377	T	98.8	Very high	98.2	Very high	19 Å²	19	32.2 Å²	32.2	12%	0.117	16%	0.156	C	C	.	.	H	α-helix	trans	-62.4	-36.5	173.8	-52.2	0	0	0	0	112.2	I373 P374 Y375 K381 K474	I373-T377 PolarHBondContact O-N 2.86Å; I373-T377 PolarHBondContact O-OG1 3.21Å; P374-T377 VanDerWaalsContact O-CB 3.27Å; P374-T377 WeakPolarHBondContact O-CB 3.37Å; P374-T377 PolarHBondContact O-N 3.43Å; Y375-T377 PolarHBondContact O-N 3.34Å; T377-K381 WeakPolarHBondContact O-CG 3.26Å; T377-K381 PolarHBondContact O-N 3.27Å; T377-K474 WeakPolarHBondContact OG1-CE 3.31Å; T377-K474 PolarHBondContact OG1-NZ 2.93Å
378	M	98.9	Very high	98.3	Very high	23 Å²	23	29.9 Å²	29.9	11%	0.113	15%	0.147	C	C	.	.	H	α-helix	trans	-67.5	-43.5	174.9	-68.7	-170.3	-74	0	0	111.7	P374 Y375 T376 I380 K381 E382 P437 F440 L441	P374-M378 WeakPolarHBondContact O-CG 3.47Å; P374-M378 PolarHBondContact O-N 2.83Å; Y375-M378 HydrophobicContact CD2-CE 3.62Å; Y375-M378 HydrophobicContact CE2-CE 4.4Å; Y375-M378 HydrophobicContact CG-CE 4.29Å; Y375-M378 WeakPolarHBondContact O-CA 3.34Å; Y375-M378 VanDerWaalsContact O-CB 3.31Å; Y375-M378 WeakPolarHBondContact O-CB 3.38Å; Y375-M378 PolarHBondContact O-N 3.46Å; T376-M378 VanDerWaalsContact C-N 3.3Å; T376-M378 PolarHBondContact O-N 3.45Å; M378-I380 VanDerWaalsContact C-N 3.34Å; M378-I380 PolarHBondContact O-N 3.31Å; M378-K381 PolarHBondContact O-N 3Å; M378-E382 PolarHBondContact O-N 3.28Å; M378-P437 HydrophobicContact CB-CB 3.96Å; M378-P437 WeakPolarHBondContact CB-O 3.32Å; M378-F440 HydrophobicContact CB-CB 4.1Å; M378-F440 HydrophobicContact CG-CB 3.8Å; M378-F440 HydrophobicContact SD-CB 4.39Å; M378-L441 HydrophobicContact CE-CD2 4.14Å; M378-L441 HydrophobicContact SD-CD2 3.9Å; M378-L441 HydrophobicContact SD-CG 4.15Å
379	C	98.9	Very high	98.5	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.014	13%	0.127	C	C	.	.	H	α-helix	trans	-60.4	-42.4	174.1	-65.8	0	0	0	0	112.1	L341 Y375 T376 K381 E382 S383 F435 P437	L341-C379 HydrophobicContact CD2-CB 4.26Å; Y375-C379 PolarHBondContact O-N 3.04Å; T376-C379 PolarHBondContact O-N 3.07Å; C379-K381 VanDerWaalsContact C-N 3.35Å; C379-K381 PolarHBondContact O-N 3.42Å; C379-E382 PolarHBondContact O-N 3.31Å; C379-S383 PolarHBondContact O-N 2.92Å; C379-F435 HydrophobicContact CB-CZ 4.27Å; C379-P437 HydrophobicContact CB-CG 4.45Å; C379-P437 WeakPolarHBondContact SG-CG 3.26Å
380	I	98.9	Very high	98.5	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-58.5	-47.3	174.3	-71	168.3	0	0	0	110.4	I337 T376 M378 E382 S383 L384 L473 K474	I337-I380 HydrophobicContact CD1-CB 4.34Å; I337-I380 HydrophobicContact CD1-CG1 4.13Å; I337-I380 HydrophobicContact CD1-CG2 3.83Å; I337-I380 HydrophobicContact CG2-CG1 4.17Å; T376-I380 HydrophobicContact CG2-CD1 4.26Å; T376-I380 VanDerWaalsContact O-CG1 3.3Å; T376-I380 WeakPolarHBondContact O-CG1 3.37Å; T376-I380 PolarHBondContact O-N 3.44Å; M378-I380 VanDerWaalsContact C-N 3.34Å; M378-I380 PolarHBondContact O-N 3.31Å; I380-E382 VanDerWaalsContact C-N 3.35Å; I380-E382 PolarHBondContact O-N 3.33Å; I380-S383 PolarHBondContact O-N 2.97Å; I380-L384 HydrophobicContact CG2-CD1 4.16Å; I380-L384 VanDerWaalsContact O-CG 3.31Å; I380-L384 WeakPolarHBondContact O-CG 3.44Å; I380-L384 PolarHBondContact O-N 3.01Å; I380-L473 HydrophobicContact CD1-CB 4.47Å; I380-L473 HydrophobicContact CG2-CB 4.27Å; I380-L473 HydrophobicContact CG2-CD1 3.94Å; I380-K474 HydrophobicContact CD1-CB 4.43Å; I380-K474 HydrophobicContact CD1-CG 3.76Å
381	K	98.9	Very high	98.5	Very high	70 Å²	70	27.5 Å²	27.5	30%	0.304	14%	0.141	S	C	.	.	H	α-helix	trans	-64	-38.8	179.1	-73.8	176.4	-179.9	177	0	112.4	T377 M378 C379 L384 R385 F440 F453	T377-K381 WeakPolarHBondContact O-CG 3.26Å; T377-K381 PolarHBondContact O-N 3.27Å; M378-K381 PolarHBondContact O-N 3Å; C379-K381 VanDerWaalsContact C-N 3.35Å; C379-K381 PolarHBondContact O-N 3.42Å; K381-L384 PolarHBondContact O-N 3.01Å; K381-R385 PolarHBondContact O-N 3.12Å; K381-F440 HydrophobicContact CB-CB 4.48Å; K381-F440 HydrophobicContact CB-CD1 3.75Å; K381-F440 HydrophobicContact CB-CD2 3.69Å; K381-F440 HydrophobicContact CB-CE1 3.78Å; K381-F440 HydrophobicContact CB-CE2 3.73Å; K381-F440 HydrophobicContact CB-CG 3.69Å; K381-F440 HydrophobicContact CB-CZ 3.77Å; K381-F440 HydrophobicContact CD-CB 4.11Å; K381-F440 HydrophobicContact CD-CD1 3.62Å; K381-F440 HydrophobicContact CD-CE1 4.21Å; K381-F440 HydrophobicContact CD-CG 3.89Å; K381-F440 HydrophobicContact CG-CD1 4.3Å; K381-F440 HydrophobicContact CG-CE1 4.49Å; K381-F440 HydrophobicContact CG-CG 4.47Å; K381-F453 HydrophobicContact CB-CE1 4.25Å; K381-F453 HydrophobicContact CB-CZ 3.91Å; K381-F453 HydrophobicContact CD-CE1 4.48Å; K381-F453 HydrophobicContact CG-CE1 4.15Å; K381-F453 HydrophobicContact CG-CZ 4.2Å; K381-F453 WeakPolarHBondContact O-CE2 3.42Å; K381-F453 WeakPolarHBondContact O-CZ 3.28Å
382	E	98.9	Very high	98.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-68	-38.8	177.2	-175.6	65.1	174.7	0	0	112.2	M378 C379 I380 L384 R385 L386 V434 F435 D436 R439 F440	M378-E382 PolarHBondContact O-N 3.28Å; C379-E382 PolarHBondContact O-N 3.31Å; I380-E382 VanDerWaalsContact C-N 3.35Å; I380-E382 PolarHBondContact O-N 3.33Å; E382-L384 VanDerWaalsContact C-N 3.34Å; E382-L384 PolarHBondContact O-N 3.35Å; E382-R385 VanDerWaalsContact CD-NE 3.29Å; E382-R385 WeakPolarHBondContact O-CB 3.44Å; E382-R385 PolarHBondContact O-N 2.89Å; E382-R385 IonicContact OE1-CZ 2.76Å; E382-R385 IonicContact OE1-NE 3.25Å; E382-R385 PolarHBondContact OE1-NE 3.47Å; E382-R385 IonicContact OE1-NH2 3.72Å; E382-R385 PolarHBondContact OE1-NH2 3.2Å; E382-R385 WeakPolarHBondContact OE2-CD 3.23Å; E382-R385 IonicContact OE2-CZ 2.67Å; E382-R385 IonicContact OE2-NE 2.76Å; E382-R385 PolarHBondContact OE2-NE 3.07Å; E382-R385 IonicContact OE2-NH2 3.23Å; E382-L386 PolarHBondContact O-N 2.61Å; E382-V434 VanDerWaalsContact OE1-O 3.05Å; E382-F435 HydrophobicContact CB-CD2 4.4Å; E382-F435 HydrophobicContact CB-CE2 4Å; E382-F435 HydrophobicContact CB-CZ 4.1Å; E382-F435 HydrophobicContact CG-CB 4.47Å; E382-F435 HydrophobicContact CG-CD1 4.19Å; E382-F435 HydrophobicContact CG-CD2 3.67Å; E382-F435 HydrophobicContact CG-CE1 4.33Å; E382-F435 HydrophobicContact CG-CE2 3.78Å; E382-F435 HydrophobicContact CG-CG 3.85Å; E382-F435 HydrophobicContact CG-CZ 4.12Å; E382-F435 WeakPolarHBondContact OE1-CA 2.95Å; E382-D436 PolarHBondContact OE1-N 3.43Å; E382-R439 IonicContact OE1-NE 2.88Å; E382-R439 PolarHBondContact OE1-NE 2.78Å; E382-F440 HydrophobicContact CB-CD2 4.25Å; E382-F440 HydrophobicContact CB-CE2 3.91Å; E382-F440 VanDerWaalsContact OE2-CE2 3.27Å; E382-F440 WeakPolarHBondContact OE2-CE2 3.46Å
383	S	98.9	Very high	98.5	Very high	1 Å²	1	19 Å²	19	1%	0.007	11%	0.108	C	C	.	.	H	α-helix	trans	-61.1	-42.3	168.9	-177.5	0	0	0	0	111.8	F336 I337 C379 I380 R385 L386 Y387	F336-S383 PolarHBondContact O-OG 3.06Å; I337-S383 VanDerWaalsContact CA-OG 3.28Å; I337-S383 WeakPolarHBondContact CA-OG 3.5Å; I337-S383 WeakPolarHBondContact CG1-OG 3.41Å; I337-S383 PolarHBondContact N-OG 3.32Å; C379-S383 PolarHBondContact O-N 2.92Å; I380-S383 PolarHBondContact O-N 2.97Å; S383-R385 PolarHBondContact O-N 3.17Å; S383-L386 PolarHBondContact O-N 2.95Å; S383-Y387 CarbonylContact O-C 3.59Å; S383-Y387 WeakPolarHBondContact O-CA 3.26Å; S383-Y387 WeakPolarHBondContact O-CB 3.26Å; S383-Y387 PolarHBondContact O-N 2.83Å
384	L	98.9	Very high	98.4	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-68.1	-23.3	177.1	-67.7	175.3	0	0	0	112.9	I380 K381 E382 P388 P389 F453 P455 F456 I470 L473	I380-L384 HydrophobicContact CG2-CD1 4.16Å; I380-L384 VanDerWaalsContact O-CG 3.31Å; I380-L384 WeakPolarHBondContact O-CG 3.44Å; I380-L384 PolarHBondContact O-N 3.01Å; K381-L384 PolarHBondContact O-N 3.01Å; E382-L384 VanDerWaalsContact C-N 3.34Å; E382-L384 PolarHBondContact O-N 3.35Å; L384-P388 WeakPolarHBondContact O-CA 3.48Å; L384-P388 WeakPolarHBondContact O-CB 3.39Å; L384-P389 VanDerWaalsContact CD2-CD 3.48Å; L384-P389 HydrophobicContact CD2-CG 3.67Å; L384-F453 HydrophobicContact CB-CE2 4.36Å; L384-F453 HydrophobicContact CB-CZ 4.16Å; L384-P455 HydrophobicContact CB-CB 4.19Å; L384-P455 HydrophobicContact CB-CG 4.38Å; L384-F456 HydrophobicContact CD1-CE2 3.98Å; L384-F456 HydrophobicContact CD1-CZ 4.23Å; L384-I470 HydrophobicContact CD1-CD1 4.33Å; L384-L473 HydrophobicContact CD1-CD1 4.02Å; L384-L473 HydrophobicContact CD2-CD1 4.26Å
385	R	98.8	Very high	98.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-72.7	-48.3	173.2	-172.9	-171.1	69.7	77.7	-4.4	110.5	K381 E382 S383 H423 W429 P432 V434 F440 F453	K381-R385 PolarHBondContact O-N 3.12Å; E382-R385 VanDerWaalsContact CD-NE 3.29Å; E382-R385 WeakPolarHBondContact O-CB 3.44Å; E382-R385 PolarHBondContact O-N 2.89Å; E382-R385 IonicContact OE1-CZ 2.76Å; E382-R385 IonicContact OE1-NE 3.25Å; E382-R385 PolarHBondContact OE1-NE 3.47Å; E382-R385 IonicContact OE1-NH2 3.72Å; E382-R385 PolarHBondContact OE1-NH2 3.2Å; E382-R385 WeakPolarHBondContact OE2-CD 3.23Å; E382-R385 IonicContact OE2-CZ 2.67Å; E382-R385 IonicContact OE2-NE 2.76Å; E382-R385 PolarHBondContact OE2-NE 3.07Å; E382-R385 IonicContact OE2-NH2 3.23Å; S383-R385 PolarHBondContact O-N 3.17Å; R385-H423 HydrophobicContact CG-CB 3.71Å; R385-H423 WeakPolarHBondContact CG-O 3.44Å; R385-H423 PolarHBondContact NH1-O 2.87Å; R385-H423 WeakPolarHBondContact O-CB 3.36Å; R385-H423 PolarHBondContact O-ND1 2.86Å; R385-W429 HydrophobicContact CG-CH2 4.02Å; R385-W429 HydrophobicContact CG-CZ2 4.08Å; R385-W429 HydrophobicContact CG-CZ3 4.31Å; R385-P432 VanDerWaalsContact CZ-O 3.23Å; R385-P432 PolarHBondContact NH1-O 3.46Å; R385-P432 PolarHBondContact NH2-O 2.84Å; R385-V434 PolarHBondContact NH2-O 3.42Å; R385-F440 HydrophobicContact CB-CZ 4.32Å; R385-F453 HydrophobicContact CB-CD2 4.15Å; R385-F453 HydrophobicContact CB-CE2 3.83Å; R385-F453 HydrophobicContact CG-CD2 4.38Å
386	L	98.7	Very high	98.1	Very high	7 Å²	7	16.3 Å²	16.3	4%	0.037	9%	0.092	C	C	.	.	H	α-helix	trans	-77.1	-34.6	-178.8	-71	171.7	0	0	0	112.3	E382 S383 P388 R424 P432 F435	E382-L386 PolarHBondContact O-N 2.61Å; S383-L386 PolarHBondContact O-N 2.95Å; L386-P388 VanDerWaalsContact C-CD 3.46Å; L386-P388 WeakPolarHBondContact O-CD 3.2Å; L386-R424 VanDerWaalsContact CA-NH2 3.34Å; L386-R424 VanDerWaalsContact CD2-NH2 3.3Å; L386-R424 PolarHBondContact O-NH1 3.49Å; L386-R424 PolarHBondContact O-NH2 3.32Å; L386-P432 WeakPolarHBondContact CD2-O 3.37Å; L386-F435 HydrophobicContact CD1-CB 3.94Å; L386-F435 HydrophobicContact CD1-CD2 3.78Å; L386-F435 HydrophobicContact CD1-CG 4.32Å
387	Y	98.5	Very high	97.8	Very high	46 Å²	46	16.4 Å²	16.4	18%	0.18	9%	0.092	C	C	.	.	S	Bend	trans	-130.5	66.2	-175.8	-57.8	-82.6	0	0	0	109.9	F336 C340 S383 P389 I496 L502	F336-Y387 HydrophobicContact CB-CD2 4.33Å; F336-Y387 HydrophobicContact CB-CG 3.94Å; F336-Y387 AromaticContact CD1-CD1 3.37Å; F336-Y387 HydrophobicContact CD1-CD1 3.37Å; F336-Y387 HydrophobicContact CD1-CD2 4.23Å; F336-Y387 AromaticContact CD1-CE1 3.91Å; F336-Y387 HydrophobicContact CD1-CE1 3.91Å; F336-Y387 AromaticContact CD1-CG 3.55Å; F336-Y387 HydrophobicContact CD1-CG 3.55Å; F336-Y387 AromaticContact CE1-CD1 3.54Å; F336-Y387 HydrophobicContact CE1-CD1 3.54Å; F336-Y387 AromaticContact CE1-CE1 3.93Å; F336-Y387 HydrophobicContact CE1-CE1 3.93Å; F336-Y387 HydrophobicContact CE1-CG 4.2Å; F336-Y387 AromaticContact CG-CD1 3.98Å; F336-Y387 HydrophobicContact CG-CD1 3.98Å; F336-Y387 AromaticContact CG-CG 3.78Å; F336-Y387 HydrophobicContact CG-CG 3.78Å; F336-Y387 HydrophobicContact CZ-CD1 4.27Å; C340-Y387 VanDerWaalsContact SG-CD2 3.51Å; C340-Y387 WeakPolarHBondContact SG-CE2 3.43Å; S383-Y387 CarbonylContact O-C 3.59Å; S383-Y387 WeakPolarHBondContact O-CA 3.26Å; S383-Y387 WeakPolarHBondContact O-CB 3.26Å; S383-Y387 PolarHBondContact O-N 2.83Å; Y387-P389 WeakPolarHBondContact O-CD 3.34Å; Y387-I496 HydrophobicContact CD1-CG2 4.31Å; Y387-I496 HydrophobicContact CE1-CG2 4.18Å; Y387-L502 HydrophobicContact CD1-CD2 4.12Å; Y387-L502 HydrophobicContact CG-CD2 4.47Å
388	P	98.5	Very high	97.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.107	C	C	.	.			trans	-62.8	123.4	179.2	25	-33.4	0	0	0	109.9	L384 L386 V390 F420 L502	L384-P388 WeakPolarHBondContact O-CA 3.48Å; L384-P388 WeakPolarHBondContact O-CB 3.39Å; L386-P388 VanDerWaalsContact C-CD 3.46Å; L386-P388 WeakPolarHBondContact O-CD 3.2Å; P388-V390 PolarHBondContact O-N 3.14Å; P388-V390 VanDerWaalsContact O-N 3.16Å; P388-F420 HydrophobicContact CG-CB 4.29Å; P388-F420 HydrophobicContact CG-CD2 4Å; P388-L502 WeakPolarHBondContact O-CB 3.34Å
389	P	98.6	Very high	97.3	Very high	14 Å²	14	24.2 Å²	24.2	9%	0.091	13%	0.13	C	C	.	.	S	Bend	trans	-56.3	-35.8	-178.1	-31	37.9	0	0	0	113.2	T329 L384 Y387 V501 L502	T329-P389 WeakPolarHBondContact O-CB 3.4Å; L384-P389 VanDerWaalsContact CD2-CD 3.48Å; L384-P389 HydrophobicContact CD2-CG 3.67Å; Y387-P389 WeakPolarHBondContact O-CD 3.34Å; P389-V501 CarbonylContact O-C 3.52Å; P389-V501 WeakPolarHBondContact O-CA 3.41Å; P389-V501 WeakPolarHBondContact O-CB 3.49Å; P389-L502 PolarHBondContact O-N 2.98Å
390	V	98.3	Very high	97.2	Very high	39 Å²	39	28.9 Å²	28.9	24%	0.236	16%	0.16	C	C	.	.	S	Bend	trans	-108.6	103.3	168.3	-179.5	0	0	0	0	107.5	T329 P388 G392 I393 M419	T329-V390 HydrophobicContact CG2-CG2 4.16Å; P388-V390 PolarHBondContact O-N 3.14Å; P388-V390 VanDerWaalsContact O-N 3.16Å; V390-G392 VanDerWaalsContact C-N 3.29Å; V390-G392 WeakPolarHBondContact CG1-O 3.47Å; V390-G392 PolarHBondContact O-N 3.48Å; V390-I393 HydrophobicContact CG1-CG2 3.73Å; V390-M419 HydrophobicContact CG1-SD 4.47Å
391	P	97.4	Very high	96.9	Very high	10 Å²	10	29.7 Å²	29.7	7%	0.065	16%	0.164	C	C	.	.			trans	-77.7	-14.2	-171.6	28.1	-34.2	0	0	0	113.9	F75 M419 F420 P498	F75-P391 HydrophobicContact CE1-CB 3.68Å; F75-P391 HydrophobicContact CE1-CG 4.24Å; F75-P391 HydrophobicContact CE2-CB 4.45Å; F75-P391 HydrophobicContact CE2-CG 4.49Å; F75-P391 HydrophobicContact CZ-CB 3.42Å; F75-P391 VanDerWaalsContact CZ-CB 3.42Å; F75-P391 HydrophobicContact CZ-CG 3.56Å; P391-M419 PolarHBondContact O-N 2.96Å; P391-F420 HydrophobicContact CB-CB 4.12Å; P391-F420 PolarHBondContact O-N 3.37Å; P391-P498 HydrophobicContact CG-CB 4.44Å
392	G	96.9	Very high	96.8	Very high	36 Å²	36	30.7 Å²	30.7	37%	0.371	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	156.4	171.6	0	0	0	0	0	112.9	V390 V417	V390-G392 VanDerWaalsContact C-N 3.29Å; V390-G392 WeakPolarHBondContact CG1-O 3.47Å; V390-G392 PolarHBondContact O-N 3.48Å; G392-V417 WeakPolarHBondContact CA-O 3.5Å
393	I	96.8	Very high	96.7	Very high	17 Å²	17	31 Å²	31	9%	0.087	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	163.8	177.2	60.4	172.7	0	0	0	109.6	L112 V390 G416 V417 M419	L112-I393 HydrophobicContact CD2-CD1 4.02Å; V390-I393 HydrophobicContact CG1-CG2 3.73Å; I393-G416 CarbonylContact O-C 3.53Å; I393-G416 WeakPolarHBondContact O-CA 3.3Å; I393-V417 HydrophobicContact CG1-CB 3.82Å; I393-V417 HydrophobicContact CG1-CG2 4.17Å; I393-V417 PolarHBondContact N-O 3.15Å; I393-V417 VanDerWaalsContact N-O 3.14Å; I393-V417 PolarHBondContact O-N 3.3Å; I393-M419 HydrophobicContact CB-CE 4.35Å; I393-M419 HydrophobicContact CD1-CE 3.49Å; I393-M419 VanDerWaalsContact CD1-CE 3.49Å; I393-M419 HydrophobicContact CG1-CE 3.64Å; I393-M419 HydrophobicContact CG2-CE 3.83Å; I393-M419 HydrophobicContact CG2-SD 4.29Å
394	S	95.8	Very high	96.5	Very high	13 Å²	13	36 Å²	36	9%	0.091	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	154.3	-178.1	43.9	0	0	0	0	113.8	D120 Y124 I415	D120-S394 WeakPolarHBondContact OD2-CB 3.25Å; D120-S394 PolarHBondContact OD2-OG 3.31Å; Y124-S394 WeakPolarHBondContact CE2-O 3.24Å; S394-I415 CarbonylContact C-O 3.37Å; S394-I415 WeakPolarHBondContact CA-O 3.3Å
395	R	95.8	Very high	96.5	Very high	6 Å²	6	38.6 Å²	38.6	2%	0.023	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	155.6	-179	-59.1	-64.9	174.5	178.9	-6.6	109.5	I111 E117 P118 H414 I415	I111-R395 HydrophobicContact CG2-CB 4.26Å; I111-R395 HydrophobicContact CG2-CG 3.73Å; E117-R395 HydrophobicContact CB-CB 4.38Å; E117-R395 PolarHBondContact O-NH1 2.91Å; P118-R395 WeakPolarHBondContact O-CA 3.35Å; P118-R395 WeakPolarHBondContact O-CD 3.3Å; R395-H414 WeakPolarHBondContact O-CA 3.34Å; R395-I415 PolarHBondContact N-O 2.73Å; R395-I415 PolarHBondContact O-N 3.1Å
396	Q	95.1	Very high	96.4	Very high	36 Å²	36	41.1 Å²	41.1	17%	0.168	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	119.5	165.2	178.7	178.9	41.3	0	0	107.9	P118 D120 D121 S413	P118-Q396 WeakPolarHBondContact CD-O 3.28Å; P118-Q396 PolarHBondContact O-N 2.93Å; D120-Q396 HydrophobicContact CB-CB 4.04Å; D121-Q396 PolarHBondContact OD1-NE2 2.9Å; D121-Q396 PolarHBondContact OD2-NE2 3.47Å; D121-Q396 VanDerWaalsContact OD2-NE2 3.1Å; D121-Q396 PolarHBondContact OD2-OE1 2.98Å; Q396-S413 WeakPolarHBondContact CA-O 3.44Å
397	I	94.5	Very high	96.3	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	24%	0.244	C	C	.	.			trans	-74.8	134.6	-176.7	59.7	174.2	0	0	0	110.9	I111 E117 I401 L409 P410 G412 S413 I415	I111-I397 HydrophobicContact CD1-CG2 4.44Å; E117-I397 HydrophobicContact CG-CG2 4.34Å; E117-I397 VanDerWaalsContact OE2-CA 3.32Å; E117-I397 WeakPolarHBondContact OE2-CA 3.39Å; I397-I401 HydrophobicContact CB-CG2 4.4Å; I397-I401 HydrophobicContact CD1-CB 4.46Å; I397-I401 HydrophobicContact CD1-CD1 4.07Å; I397-I401 HydrophobicContact CD1-CG1 3.73Å; I397-I401 HydrophobicContact CD1-CG2 4.12Å; I397-I401 HydrophobicContact CG2-CD1 4.26Å; I397-I401 HydrophobicContact CG2-CG2 4.23Å; I397-L409 HydrophobicContact CD1-CB 3.76Å; I397-P410 VanDerWaalsContact CD1-O 3.25Å; I397-P410 WeakPolarHBondContact CD1-O 3.36Å; I397-G412 WeakPolarHBondContact O-CA 3.16Å; I397-G412 PolarHBondContact O-N 2.94Å; I397-S413 WeakPolarHBondContact CG1-O 3.35Å; I397-S413 PolarHBondContact N-O 2.73Å; I397-I415 HydrophobicContact CD1-CD1 4.29Å; I397-I415 HydrophobicContact CG2-CD1 3.45Å; I397-I415 VanDerWaalsContact CG2-CD1 3.45Å; I397-I415 HydrophobicContact CG2-CG1 4.19Å
398	T	93.8	Very high	96.2	Very high	69 Å²	69	44 Å²	44	42%	0.423	26%	0.257	S	S	.	.	S	Bend	trans	-92.8	-19.7	-177.1	55.5	0	0	0	0	112.4	E117 P118 A411	E117-T398 WeakPolarHBondContact OE2-CB 3.33Å; E117-T398 PolarHBondContact OE2-N 3Å; E117-T398 PolarHBondContact OE2-OG1 3.47Å; P118-T398 HydrophobicContact CG-CG2 4Å; T398-A411 WeakPolarHBondContact O-CB 3.46Å
399	K	93.5	Very high	96.1	Very high	138 Å²	138	44 Å²	44	60%	0.6	26%	0.258	S	S	*	.	S	Bend	trans	-130.2	156.6	176.4	-62.7	-179.6	-175.6	176.8	0	109.6	I401	K399-I401 PolarHBondContact O-N 3.46Å
400	P	94.9	Very high	96	Very high	99 Å²	99	45.9 Å²	45.9	64%	0.643	27%	0.269	S	S	*	.			trans	-56.5	140.2	169.9	-21.7	33.5	0	0	0	110.6	L409	P400-L409 VanDerWaalsContact CA-O 3.24Å; P400-L409 WeakPolarHBondContact CA-O 3.48Å
401	I	94.3	Very high	95.9	Very high	20 Å²	20	46.5 Å²	46.5	10%	0.103	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	147.8	176.7	67.4	169.9	0	0	0	110.2	I111 I397 K399 F403 T408 L409 I415	I111-I401 HydrophobicContact CD1-CD1 3.54Å; I397-I401 HydrophobicContact CB-CG2 4.4Å; I397-I401 HydrophobicContact CD1-CB 4.46Å; I397-I401 HydrophobicContact CD1-CD1 4.07Å; I397-I401 HydrophobicContact CD1-CG1 3.73Å; I397-I401 HydrophobicContact CD1-CG2 4.12Å; I397-I401 HydrophobicContact CG2-CD1 4.26Å; I397-I401 HydrophobicContact CG2-CG2 4.23Å; K399-I401 PolarHBondContact O-N 3.46Å; I401-F403 HydrophobicContact CD1-CE1 3.84Å; I401-F403 HydrophobicContact CD1-CE2 3.81Å; I401-F403 HydrophobicContact CD1-CZ 3.34Å; I401-F403 HydrophobicContact CG1-CE2 4.32Å; I401-F403 HydrophobicContact CG1-CZ 4.3Å; I401-T408 CarbonylContact O-C 3.57Å; I401-T408 WeakPolarHBondContact O-CA 3.26Å; I401-T408 WeakPolarHBondContact O-CB 3.44Å; I401-L409 HydrophobicContact CG1-CB 4.02Å; I401-L409 PolarHBondContact N-O 3.22Å; I401-L409 PolarHBondContact O-N 2.93Å; I401-I415 HydrophobicContact CD1-CD1 3.32Å
402	T	95.8	Very high	95.8	Very high	90 Å²	90	47.9 Å²	47.9	55%	0.552	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	127.8	171.9	-56.4	0	0	0	0	108.2	R407 T408	T402-R407 WeakPolarHBondContact CA-O 3.43Å; T402-T408 HydrophobicContact CG2-CG2 3.88Å; T402-T408 WeakPolarHBondContact OG1-CG2 3.48Å
403	F	96.8	Very high	95.7	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.026	28%	0.279	C	S	.	.			trans	-84.9	168.8	175.1	-62.8	-74.3	0	0	0	111.3	F53 L100 I102 Y107 T110 I111 I401 D405 G406 R407 L409 I415	F53-F403 HydrophobicContact CE1-CD2 4.14Å; F53-F403 HydrophobicContact CE1-CE2 4.13Å; F53-F403 AromaticContact CZ-CD2 3.89Å; F53-F403 HydrophobicContact CZ-CD2 3.89Å; F53-F403 AromaticContact CZ-CE2 3.8Å; F53-F403 HydrophobicContact CZ-CE2 3.8Å; L100-F403 HydrophobicContact CD2-CE2 3.86Å; L100-F403 HydrophobicContact CD2-CZ 4.07Å; I102-F403 HydrophobicContact CG2-CZ 4.5Å; Y107-F403 HydrophobicContact CD1-CB 4.43Å; Y107-F403 AromaticContact CD1-CD1 3.33Å; Y107-F403 HydrophobicContact CD1-CD1 3.33Å; Y107-F403 HydrophobicContact CD1-CD2 4.01Å; Y107-F403 AromaticContact CD1-CE1 3.32Å; Y107-F403 HydrophobicContact CD1-CE1 3.32Å; Y107-F403 HydrophobicContact CD1-CE2 4Å; Y107-F403 AromaticContact CD1-CG 3.67Å; Y107-F403 HydrophobicContact CD1-CG 3.67Å; Y107-F403 AromaticContact CD1-CZ 3.66Å; Y107-F403 HydrophobicContact CD1-CZ 3.66Å; Y107-F403 HydrophobicContact CD2-CB 4.27Å; Y107-F403 HydrophobicContact CD2-CD1 4.03Å; Y107-F403 HydrophobicContact CD2-CG 4.3Å; Y107-F403 HydrophobicContact CE1-CB 3.83Å; Y107-F403 AromaticContact CE1-CD1 3.47Å; Y107-F403 HydrophobicContact CE1-CD1 3.47Å; Y107-F403 VanDerWaalsContact CE1-CD1 3.47Å; Y107-F403 AromaticContact CE1-CD2 3.33Å; Y107-F403 HydrophobicContact CE1-CD2 3.33Å; Y107-F403 AromaticContact CE1-CE1 3.73Å; Y107-F403 HydrophobicContact CE1-CE1 3.73Å; Y107-F403 AromaticContact CE1-CE2 3.59Å; Y107-F403 HydrophobicContact CE1-CE2 3.59Å; Y107-F403 AromaticContact CE1-CG 3.24Å; Y107-F403 HydrophobicContact CE1-CG 3.24Å; Y107-F403 AromaticContact CE1-CZ 3.77Å; Y107-F403 HydrophobicContact CE1-CZ 3.77Å; Y107-F403 HydrophobicContact CE2-CB 3.65Å; Y107-F403 HydrophobicContact CE2-CD1 4.16Å; Y107-F403 AromaticContact CE2-CG 3.95Å; Y107-F403 HydrophobicContact CE2-CG 3.95Å; Y107-F403 AromaticContact CG-CD1 3.61Å; Y107-F403 HydrophobicContact CG-CD1 3.61Å; Y107-F403 AromaticContact CG-CE1 3.88Å; Y107-F403 HydrophobicContact CG-CE1 3.88Å; Y107-F403 HydrophobicContact CG-CG 4.17Å; Y107-F403 AromaticContact CZ-CD1 3.87Å; Y107-F403 AromaticContact CZ-CD2 3.73Å; Y107-F403 AromaticContact CZ-CG 3.38Å; Y107-F403 WeakPolarHBondContact OH-CB 3.47Å; T110-F403 HydrophobicContact CG2-CD1 4.12Å; T110-F403 HydrophobicContact CG2-CE1 4.24Å; I111-F403 HydrophobicContact CD1-CE1 4.29Å; I111-F403 HydrophobicContact CG1-CE1 4.49Å; I401-F403 HydrophobicContact CD1-CE1 3.84Å; I401-F403 HydrophobicContact CD1-CE2 3.81Å; I401-F403 HydrophobicContact CD1-CZ 3.34Å; I401-F403 HydrophobicContact CG1-CE2 4.32Å; I401-F403 HydrophobicContact CG1-CZ 4.3Å; F403-D405 PolarHBondContact O-N 3.2Å; F403-D405 VanDerWaalsContact O-N 3.11Å; F403-G406 PolarHBondContact O-N 2.9Å; F403-R407 PolarHBondContact N-O 3.43Å; F403-L409 HydrophobicContact CE2-CD1 4.35Å; F403-I415 HydrophobicContact CZ-CD1 4.35Å
404	F	95.9	Very high	95.7	Very high	106 Å²	106	46.6 Å²	46.6	47%	0.465	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.8	-173.8	79.1	-92.6	0	0	0	113.8	Y87 D106 Y107 G406	Y87-F404 HydrophobicContact CD1-CE1 4.03Å; Y87-F404 AromaticContact CD1-CZ 3.87Å; Y87-F404 HydrophobicContact CD1-CZ 3.87Å; Y87-F404 HydrophobicContact CE1-CE1 4.11Å; Y87-F404 AromaticContact CE1-CZ 3.48Å; Y87-F404 HydrophobicContact CE1-CZ 3.48Å; Y87-F404 VanDerWaalsContact CE1-CZ 3.48Å; Y87-F404 HydrophobicContact CE2-CZ 4.34Å; Y87-F404 HydrophobicContact CG-CZ 4.47Å; Y87-F404 AromaticContact CZ-CZ 3.7Å; D106-F404 HydrophobicContact CB-CD1 3.6Å; D106-F404 HydrophobicContact CB-CE1 3.81Å; D106-F404 HydrophobicContact CB-CG 4.41Å; Y107-F404 AromaticContact CD2-CD1 3.85Å; Y107-F404 HydrophobicContact CD2-CD1 3.85Å; Y107-F404 AromaticContact CD2-CE1 3.63Å; Y107-F404 HydrophobicContact CD2-CE1 3.63Å; Y107-F404 AromaticContact CE2-CD1 3.79Å; Y107-F404 HydrophobicContact CE2-CD1 3.79Å; Y107-F404 AromaticContact CE2-CE1 3.55Å; Y107-F404 HydrophobicContact CE2-CE1 3.55Å; F404-G406 VanDerWaalsContact C-N 3.33Å
405	D	97	Very high	95.8	Very high	57 Å²	57	46 Å²	46	31%	0.305	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	9.8	178.5	68.7	-2.3	0	0	0	113.4	Y107 F403 R407	Y107-D405 PolarHBondContact OH-OD1 3.43Å; Y107-D405 PolarHBondContact OH-OD2 3.09Å; F403-D405 PolarHBondContact O-N 3.2Å; F403-D405 VanDerWaalsContact O-N 3.11Å; D405-R407 VanDerWaalsContact C-N 3.33Å; D405-R407 PolarHBondContact O-N 3.49Å; D405-R407 WeakPolarHBondContact OD1-CB 3.42Å; D405-R407 PolarHBondContact OD1-N 3.4Å; D405-R407 VanDerWaalsContact OD1-N 3.11Å; D405-R407 IonicContact OD1-NE 2.67Å; D405-R407 PolarHBondContact OD1-NE 3.05Å; D405-R407 IonicContact OD2-CZ 3.39Å; D405-R407 IonicContact OD2-NE 3.42Å; D405-R407 PolarHBondContact OD2-NE 3.04Å; D405-R407 IonicContact OD2-NH2 3.22Å; D405-R407 PolarHBondContact OD2-NH2 3.14Å
406	G	97.2	Very high	95.9	Very high	53 Å²	53	46 Å²	46	55%	0.546	28%	0.277	S	S	.	.	S	Bend	trans	85.2	-7.3	177	0	0	0	0	0	115.1	F403 F404	F403-G406 PolarHBondContact O-N 2.9Å; F404-G406 VanDerWaalsContact C-N 3.33Å
407	R	97.6	Very high	96	Very high	39 Å²	39	44.3 Å²	44.3	15%	0.147	27%	0.27	C	S	.	.			trans	-70.5	144.8	176	-65.7	-175.4	-73.6	179.6	-3.8	111.2	A52 F53 P86 Y107 T402 F403 D405	A52-R407 HydrophobicContact CB-CB 4.44Å; A52-R407 HydrophobicContact CB-CG 4.18Å; A52-R407 WeakPolarHBondContact O-CD 3.49Å; F53-R407 HydrophobicContact CE1-CB 3.8Å; F53-R407 HydrophobicContact CE1-CG 4.46Å; F53-R407 HydrophobicContact CE2-CB 4.36Å; F53-R407 HydrophobicContact CZ-CB 3.6Å; P86-R407 PolarHBondContact O-NH2 3.11Å; Y107-R407 VanDerWaalsContact OH-CZ 3.26Å; Y107-R407 PolarHBondContact OH-NE 3.36Å; Y107-R407 PolarHBondContact OH-NH2 2.83Å; T402-R407 WeakPolarHBondContact CA-O 3.43Å; F403-R407 PolarHBondContact N-O 3.43Å; D405-R407 VanDerWaalsContact C-N 3.33Å; D405-R407 PolarHBondContact O-N 3.49Å; D405-R407 WeakPolarHBondContact OD1-CB 3.42Å; D405-R407 PolarHBondContact OD1-N 3.4Å; D405-R407 VanDerWaalsContact OD1-N 3.11Å; D405-R407 IonicContact OD1-NE 2.67Å; D405-R407 PolarHBondContact OD1-NE 3.05Å; D405-R407 IonicContact OD2-CZ 3.39Å; D405-R407 IonicContact OD2-NE 3.42Å; D405-R407 PolarHBondContact OD2-NE 3.04Å; D405-R407 IonicContact OD2-NH2 3.22Å; D405-R407 PolarHBondContact OD2-NH2 3.14Å
408	T	96.5	Very high	96.2	Very high	74 Å²	74	44.6 Å²	44.6	45%	0.454	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	152.5	-173.6	64.5	0	0	0	0	112.6	F53 I401 T402	F53-T408 WeakPolarHBondContact CE2-O 3.2Å; I401-T408 CarbonylContact O-C 3.57Å; I401-T408 WeakPolarHBondContact O-CA 3.26Å; I401-T408 WeakPolarHBondContact O-CB 3.44Å; T402-T408 HydrophobicContact CG2-CG2 3.88Å; T402-T408 WeakPolarHBondContact OG1-CG2 3.48Å
409	L	96.2	Very high	96.4	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	140.4	168.6	-78.3	179.4	0	0	0	110.6	F50 F53 L100 I397 P400 I401 F403 I415	F50-L409 HydrophobicContact CD1-CD2 3.57Å; F50-L409 HydrophobicContact CE1-CD1 4.11Å; F50-L409 HydrophobicContact CE1-CD2 3.45Å; F50-L409 VanDerWaalsContact CE1-CD2 3.45Å; F50-L409 HydrophobicContact CE1-CG 4.45Å; F50-L409 HydrophobicContact CG-CD2 4.46Å; F50-L409 HydrophobicContact CZ-CD2 4.28Å; F53-L409 HydrophobicContact CD2-CD2 4.16Å; F53-L409 HydrophobicContact CE2-CD2 3.63Å; F53-L409 HydrophobicContact CE2-CG 3.76Å; F53-L409 HydrophobicContact CZ-CD2 4.47Å; F53-L409 HydrophobicContact CZ-CG 4.13Å; L100-L409 HydrophobicContact CB-CD1 4.02Å; L100-L409 HydrophobicContact CD2-CD1 3.45Å; L100-L409 VanDerWaalsContact CD2-CD1 3.45Å; L100-L409 HydrophobicContact CD2-CG 4.24Å; L100-L409 HydrophobicContact CG-CD1 4.34Å; I397-L409 HydrophobicContact CD1-CB 3.76Å; P400-L409 VanDerWaalsContact CA-O 3.24Å; P400-L409 WeakPolarHBondContact CA-O 3.48Å; I401-L409 HydrophobicContact CG1-CB 4.02Å; I401-L409 PolarHBondContact N-O 3.22Å; I401-L409 PolarHBondContact O-N 2.93Å; F403-L409 HydrophobicContact CE2-CD1 4.35Å; L409-I415 HydrophobicContact CD1-CD1 3.86Å; L409-I415 HydrophobicContact CD1-CG1 3.95Å
410	P	96.3	Very high	96.6	Very high	52 Å²	52	35 Å²	35	34%	0.338	22%	0.224	S	C	.	.			trans	-75.8	157.5	176.2	31.6	-34.4	0	0	0	111.8	I397 S413	I397-P410 VanDerWaalsContact CD1-O 3.25Å; I397-P410 WeakPolarHBondContact CD1-O 3.36Å; P410-S413 WeakPolarHBondContact CD-OG 3.48Å; P410-S413 WeakPolarHBondContact O-CB 3.15Å; P410-S413 PolarHBondContact O-N 2.91Å; P410-S413 PolarHBondContact O-OG 3.48Å
411	A	95.6	Very high	96.8	Very high	52 Å²	52	30.4 Å²	30.4	43%	0.43	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	146.9	170	0	0	0	0	0	111.8	T398 S413	T398-A411 WeakPolarHBondContact O-CB 3.46Å; A411-S413 VanDerWaalsContact C-N 3.32Å
412	G	94.7	Very high	97	Very high	39 Å²	39	29.5 Å²	29.5	40%	0.402	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-6.1	-175.5	0	0	0	0	0	114.6	I397	I397-G412 WeakPolarHBondContact O-CA 3.16Å; I397-G412 PolarHBondContact O-N 2.94Å
413	S	96.3	Very high	97.1	Very high	7 Å²	7	25.2 Å²	25.2	5%	0.049	16%	0.163	C	C	.	.			trans	-71.7	143.5	179	-56.7	0	0	0	0	112.3	Q396 I397 P410 A411	Q396-S413 WeakPolarHBondContact CA-O 3.44Å; I397-S413 WeakPolarHBondContact CG1-O 3.35Å; I397-S413 PolarHBondContact N-O 2.73Å; P410-S413 WeakPolarHBondContact CD-OG 3.48Å; P410-S413 WeakPolarHBondContact O-CB 3.15Å; P410-S413 PolarHBondContact O-N 2.91Å; P410-S413 PolarHBondContact O-OG 3.48Å; A411-S413 VanDerWaalsContact C-N 3.32Å
414	H	97.3	Very high	97.2	Very high	19 Å²	19	26.1 Å²	26.1	9%	0.088	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	132.5	174.8	-61.8	69.3	0	0	0	110.6	I99 L100 D121 R395	I99-H414 WeakPolarHBondContact CA-O 3.34Å; I99-H414 HydrophobicContact CB-CB 4.44Å; I99-H414 HydrophobicContact CG1-CB 3.96Å; L100-H414 PolarHBondContact N-O 3.47Å; D121-H414 IonicContact OD1-CD2 3.68Å; D121-H414 IonicContact OD1-CE1 2.69Å; D121-H414 PolarHBondContact OD1-CE1 3.16Å; D121-H414 IonicContact OD1-NE2 3.72Å; D121-H414 PolarHBondContact OD1-NE2 3.04Å; R395-H414 WeakPolarHBondContact O-CA 3.34Å
415	I	97.4	Very high	97.3	Very high	0 Å²	0	22 Å²	22	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127.6	178.7	-56.7	-178.5	0	0	0	109	L100 I102 I111 S394 R395 I397 I401 F403 L409	L100-I415 WeakPolarHBondContact O-CA 3.49Å; I102-I415 HydrophobicContact CD1-CG2 3.96Å; I102-I415 HydrophobicContact CG1-CG2 4.11Å; I102-I415 HydrophobicContact CG2-CG2 3.84Å; I111-I415 HydrophobicContact CD1-CD1 3.5Å; I111-I415 HydrophobicContact CD1-CG2 4.39Å; I111-I415 HydrophobicContact CG1-CD1 4.3Å; I111-I415 HydrophobicContact CG1-CG2 4.07Å; S394-I415 CarbonylContact C-O 3.37Å; S394-I415 WeakPolarHBondContact CA-O 3.3Å; R395-I415 PolarHBondContact N-O 2.73Å; R395-I415 PolarHBondContact O-N 3.1Å; I397-I415 HydrophobicContact CD1-CD1 4.29Å; I397-I415 HydrophobicContact CG2-CD1 3.45Å; I397-I415 VanDerWaalsContact CG2-CD1 3.45Å; I397-I415 HydrophobicContact CG2-CG1 4.19Å; I401-I415 HydrophobicContact CD1-CD1 3.32Å; F403-I415 HydrophobicContact CZ-CD1 4.35Å; L409-I415 HydrophobicContact CD1-CD1 3.86Å; L409-I415 HydrophobicContact CD1-CG1 3.95Å
416	G	97.5	Very high	97.3	Very high	7 Å²	7	23 Å²	23	7%	0.072	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.4	175.3	0	0	0	0	0	109.7	L100 N101 I102 I393	L100-G416 PolarHBondContact O-N 3.01Å; N101-G416 CarbonylContact C-O 3.51Å; N101-G416 WeakPolarHBondContact CA-O 3.37Å; N101-G416 PolarHBondContact OD1-O 3.44Å; I102-G416 WeakPolarHBondContact CG1-O 3.4Å; I102-G416 PolarHBondContact N-O 2.87Å; I393-G416 CarbonylContact O-C 3.53Å; I393-G416 WeakPolarHBondContact O-CA 3.3Å
417	V	97.9	Very high	97.2	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	105.8	169.4	-178.4	0	0	0	0	107.6	I102 V108 I111 L112 G392 I393 M419	I102-V417 HydrophobicContact CD1-CG2 4.09Å; I102-V417 HydrophobicContact CG1-CB 4.49Å; I102-V417 HydrophobicContact CG1-CG2 4.22Å; V108-V417 HydrophobicContact CG1-CG1 4Å; V108-V417 HydrophobicContact CG2-CG1 3.92Å; I111-V417 HydrophobicContact CG2-CG2 4.42Å; L112-V417 HydrophobicContact CD2-CG2 4.21Å; L112-V417 HydrophobicContact CG-CG2 4.49Å; G392-V417 WeakPolarHBondContact CA-O 3.5Å; I393-V417 HydrophobicContact CG1-CB 3.82Å; I393-V417 HydrophobicContact CG1-CG2 4.17Å; I393-V417 PolarHBondContact N-O 3.15Å; I393-V417 VanDerWaalsContact N-O 3.14Å; I393-V417 PolarHBondContact O-N 3.3Å; V417-M419 HydrophobicContact CG1-CG 4.34Å; V417-M419 PolarHBondContact O-N 3.39Å; V417-M419 VanDerWaalsContact O-N 3.12Å
418	S	98	Very high	97.1	Very high	6 Å²	6	25.5 Å²	25.5	4%	0.042	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	94.4	171.7	-173.9	0	0	0	0	109.2	N101 I102 F420 A421 T422	N101-S418 VanDerWaalsContact OD1-CB 3.29Å; N101-S418 WeakPolarHBondContact OD1-CB 3.44Å; I102-S418 PolarHBondContact O-N 3.46Å; S418-F420 VanDerWaalsContact C-N 3.28Å; S418-A421 PolarHBondContact O-N 3.32Å; S418-A421 VanDerWaalsContact OG-CB 3.28Å; S418-A421 WeakPolarHBondContact OG-CB 3.44Å; S418-A421 PolarHBondContact OG-N 3.28Å; S418-A421 VanDerWaalsContact OG-N 3.17Å; S418-T422 VanDerWaalsContact O-CB 3.29Å; S418-T422 WeakPolarHBondContact O-CB 3.44Å; S418-T422 PolarHBondContact O-N 3.01Å; S418-T422 PolarHBondContact O-OG1 3.01Å
419	M	98.3	Very high	97.1	Very high	3 Å²	3	22 Å²	22	2%	0.015	15%	0.153	C	C	.	.	H	α-helix	trans	-61.9	-42.4	173.3	-68.9	156.7	173	0	0	109.9	V390 P391 I393 V417 A421 T422 H423 V454	V390-M419 HydrophobicContact CG1-SD 4.47Å; P391-M419 PolarHBondContact O-N 2.96Å; I393-M419 HydrophobicContact CB-CE 4.35Å; I393-M419 HydrophobicContact CD1-CE 3.49Å; I393-M419 VanDerWaalsContact CD1-CE 3.49Å; I393-M419 HydrophobicContact CG1-CE 3.64Å; I393-M419 HydrophobicContact CG2-CE 3.83Å; I393-M419 HydrophobicContact CG2-SD 4.29Å; V417-M419 HydrophobicContact CG1-CG 4.34Å; V417-M419 PolarHBondContact O-N 3.39Å; V417-M419 VanDerWaalsContact O-N 3.12Å; M419-A421 PolarHBondContact O-N 3.19Å; M419-T422 PolarHBondContact O-N 3.02Å; M419-H423 VanDerWaalsContact O-CB 3.28Å; M419-H423 WeakPolarHBondContact O-CB 3.26Å; M419-H423 PolarHBondContact O-CD2 2.99Å; M419-H423 VanDerWaalsContact O-CD2 3.27Å; M419-H423 PolarHBondContact O-N 2.69Å; M419-V454 HydrophobicContact CG-CG2 4.35Å
420	F	98.2	Very high	97.1	Very high	4 Å²	4	29 Å²	29	2%	0.018	19%	0.186	C	C	.	.	H	α-helix	trans	-56.9	-44.6	178.5	-167.7	-91.6	0	0	0	113.4	F75 L79 P388 P391 S418 I496	F75-F420 HydrophobicContact CB-CD1 4.1Å; F75-F420 HydrophobicContact CB-CE1 3.57Å; F75-F420 HydrophobicContact CB-CE2 4.48Å; F75-F420 HydrophobicContact CB-CZ 3.8Å; F75-F420 HydrophobicContact CD1-CB 4.12Å; F75-F420 AromaticContact CD1-CD1 3.51Å; F75-F420 HydrophobicContact CD1-CD1 3.51Å; F75-F420 HydrophobicContact CD1-CD2 4.07Å; F75-F420 AromaticContact CD1-CE1 3.88Å; F75-F420 HydrophobicContact CD1-CE1 3.88Å; F75-F420 HydrophobicContact CD1-CE2 4.4Å; F75-F420 AromaticContact CD1-CG 3.61Å; F75-F420 HydrophobicContact CD1-CG 3.61Å; F75-F420 HydrophobicContact CD1-CZ 4.32Å; F75-F420 HydrophobicContact CE1-CB 4.02Å; F75-F420 HydrophobicContact CE1-CD1 4.26Å; F75-F420 HydrophobicContact CE1-CD2 4.29Å; F75-F420 AromaticContact CE1-CG 3.93Å; F75-F420 HydrophobicContact CE1-CG 3.93Å; F75-F420 HydrophobicContact CG-CD1 4.05Å; F75-F420 HydrophobicContact CG-CD2 4.37Å; F75-F420 AromaticContact CG-CE1 3.93Å; F75-F420 HydrophobicContact CG-CE1 3.93Å; F75-F420 HydrophobicContact CG-CE2 4.27Å; F75-F420 HydrophobicContact CG-CG 4.27Å; F75-F420 HydrophobicContact CG-CZ 4.05Å; L79-F420 HydrophobicContact CD1-CE1 3.72Å; L79-F420 HydrophobicContact CD2-CD1 3.91Å; L79-F420 HydrophobicContact CD2-CE1 3.93Å; L79-F420 HydrophobicContact CG-CD1 4.15Å; L79-F420 HydrophobicContact CG-CE1 3.77Å; P388-F420 HydrophobicContact CG-CB 4.29Å; P388-F420 HydrophobicContact CG-CD2 4Å; P391-F420 HydrophobicContact CB-CB 4.12Å; P391-F420 PolarHBondContact O-N 3.37Å; S418-F420 VanDerWaalsContact C-N 3.28Å; F420-I496 HydrophobicContact CE2-CD1 4.04Å; F420-I496 HydrophobicContact CZ-CD1 3.79Å
421	A	98.4	Very high	97.2	Very high	2 Å²	2	31.6 Å²	31.6	2%	0.017	20%	0.196	C	C	.	.	H	α-helix	trans	-77.3	-38.3	176.7	0	0	0	0	0	112.5	V78 L79 A82 H103 S418 M419 H423 R424 N425	V78-A421 HydrophobicContact CG1-CB 4.45Å; L79-A421 HydrophobicContact CD2-CB 4.24Å; A82-A421 HydrophobicContact CB-CB 3.92Å; H103-A421 HydrophobicContact CB-CB 3.65Å; S418-A421 PolarHBondContact O-N 3.32Å; S418-A421 VanDerWaalsContact OG-CB 3.28Å; S418-A421 WeakPolarHBondContact OG-CB 3.44Å; S418-A421 PolarHBondContact OG-N 3.28Å; S418-A421 VanDerWaalsContact OG-N 3.17Å; M419-A421 PolarHBondContact O-N 3.19Å; A421-H423 VanDerWaalsContact C-N 3.28Å; A421-H423 PolarHBondContact O-N 3.28Å; A421-R424 CarbonylContact O-C 3.53Å; A421-R424 PolarHBondContact O-N 3.43Å; A421-N425 PolarHBondContact O-N 2.91Å
422	T	98.6	Very high	97.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.2	-40.3	176.7	-55.6	0	0	0	0	111.7	H103 P105 V108 S418 M419 R424 N425 W429	H103-T422 WeakPolarHBondContact CA-OG1 3.45Å; H103-T422 WeakPolarHBondContact O-CA 3.44Å; H103-T422 PolarHBondContact O-OG1 3.36Å; P105-T422 HydrophobicContact CG-CG2 4.4Å; V108-T422 HydrophobicContact CG2-CG2 4.19Å; S418-T422 VanDerWaalsContact O-CB 3.29Å; S418-T422 WeakPolarHBondContact O-CB 3.44Å; S418-T422 PolarHBondContact O-N 3.01Å; S418-T422 PolarHBondContact O-OG1 3.01Å; M419-T422 PolarHBondContact O-N 3.02Å; T422-R424 PolarHBondContact O-N 3.48Å; T422-N425 PolarHBondContact O-N 3.47Å; T422-W429 PolarHBondContact O-NE1 3.2Å
423	H	98.7	Very high	97.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-7.5	179.2	-68.3	-175.3	0	0	0	113.2	R385 M419 A421 W429 A452 V454	R385-H423 HydrophobicContact CG-CB 3.71Å; R385-H423 WeakPolarHBondContact CG-O 3.44Å; R385-H423 PolarHBondContact NH1-O 2.87Å; R385-H423 WeakPolarHBondContact O-CB 3.36Å; R385-H423 PolarHBondContact O-ND1 2.86Å; M419-H423 VanDerWaalsContact O-CB 3.28Å; M419-H423 WeakPolarHBondContact O-CB 3.26Å; M419-H423 PolarHBondContact O-CD2 2.99Å; M419-H423 VanDerWaalsContact O-CD2 3.27Å; M419-H423 PolarHBondContact O-N 2.69Å; A421-H423 VanDerWaalsContact C-N 3.28Å; A421-H423 PolarHBondContact O-N 3.28Å; H423-W429 PolarHBondContact O-NE1 3.46Å; H423-A452 PolarHBondContact CD2-O 3.33Å; H423-A452 VanDerWaalsContact CD2-O 3.31Å; H423-V454 PolarHBondContact NE2-N 2.73Å; H423-V454 VanDerWaalsContact NE2-N 3.15Å
424	R	98.3	Very high	97.5	Very high	26 Å²	26	37 Å²	37	10%	0.098	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	12.1	175	-76.3	-179.8	172.3	76.4	-4.5	113.7	L79 L386 A421 T422 A426 P432 D433	L79-R424 HydrophobicContact CD2-CB 3.93Å; L386-R424 VanDerWaalsContact CA-NH2 3.34Å; L386-R424 VanDerWaalsContact CD2-NH2 3.3Å; L386-R424 PolarHBondContact O-NH1 3.49Å; L386-R424 PolarHBondContact O-NH2 3.32Å; A421-R424 CarbonylContact O-C 3.53Å; A421-R424 PolarHBondContact O-N 3.43Å; T422-R424 PolarHBondContact O-N 3.48Å; R424-A426 PolarHBondContact O-N 2.79Å; R424-A426 VanDerWaalsContact O-N 3.13Å; R424-P432 HydrophobicContact CB-CB 4.05Å; R424-P432 HydrophobicContact CG-CB 4.32Å; R424-P432 VanDerWaalsContact O-CB 3.24Å; R424-P432 WeakPolarHBondContact O-CB 3.39Å; R424-P432 WeakPolarHBondContact O-CG 3.29Å; R424-D433 WeakPolarHBondContact CD-OD1 3.32Å; R424-D433 IonicContact NE-OD1 3.45Å; R424-D433 PolarHBondContact NE-OD1 3.35Å
425	N	97.9	Very high	97.6	Very high	19 Å²	19	36.7 Å²	36.7	10%	0.102	21%	0.211	C	C	.	.			trans	-67.6	115.6	-178.9	-167.1	-37.8	0	0	0	110.1	H103 A421 T422 T427 V428 W429	H103-N425 PolarHBondContact O-ND2 3.23Å; A421-N425 PolarHBondContact O-N 2.91Å; T422-N425 PolarHBondContact O-N 3.47Å; N425-T427 PolarHBondContact O-N 3.07Å; N425-T427 VanDerWaalsContact O-N 3.16Å; N425-T427 PolarHBondContact OD1-N 3.07Å; N425-T427 VanDerWaalsContact OD1-N 3.08Å; N425-T427 PolarHBondContact OD1-OG1 3.46Å; N425-V428 HydrophobicContact CB-CG2 4.49Å; N425-V428 PolarHBondContact O-N 3.35Å; N425-W429 PolarHBondContact O-N 3.29Å
426	A	96.5	Very high	97.6	Very high	77 Å²	77	39.1 Å²	39.1	64%	0.636	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.3	-176.1	0	0	0	0	0	114.2	R424 V428 P432	R424-A426 PolarHBondContact O-N 2.79Å; R424-A426 VanDerWaalsContact O-N 3.13Å; A426-V428 PolarHBondContact O-N 2.99Å; A426-P432 HydrophobicContact CB-CG 3.93Å
427	T	95	Very high	97.7	Very high	100 Å²	100	38.8 Å²	38.8	61%	0.613	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-10.9	171.6	69.9	0	0	0	0	112.9	H104 N425	H104-T427 PolarHBondContact CD2-OG1 2.8Å; H104-T427 PolarHBondContact NE2-OG1 3.42Å; N425-T427 PolarHBondContact O-N 3.07Å; N425-T427 VanDerWaalsContact O-N 3.16Å; N425-T427 PolarHBondContact OD1-N 3.07Å; N425-T427 VanDerWaalsContact OD1-N 3.08Å; N425-T427 PolarHBondContact OD1-OG1 3.46Å
428	V	95	Very high	97.7	Very high	45 Å²	45	42.5 Å²	42.5	27%	0.273	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-37.1	-173.5	-176.3	0	0	0	0	111.9	P105 N425 A426 R448 A452	P105-V428 HydrophobicContact CG-CG1 4.47Å; P105-V428 HydrophobicContact CG-CG2 3.55Å; N425-V428 HydrophobicContact CB-CG2 4.49Å; N425-V428 PolarHBondContact O-N 3.35Å; A426-V428 PolarHBondContact O-N 2.99Å; V428-R448 HydrophobicContact CG1-CG 4.26Å; V428-A452 HydrophobicContact CG1-CB 3.61Å
429	W	97.7	Very high	97.7	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.008	24%	0.242	C	C	.	.	S	Bend	trans	-113.1	104.7	-175.3	-56.9	99.4	0	0	0	109.4	R385 T422 H423 N425 N431 P432 R439 F440 A452 F453	R385-W429 HydrophobicContact CG-CH2 4.02Å; R385-W429 HydrophobicContact CG-CZ2 4.08Å; R385-W429 HydrophobicContact CG-CZ3 4.31Å; T422-W429 PolarHBondContact O-NE1 3.2Å; H423-W429 PolarHBondContact O-NE1 3.46Å; N425-W429 PolarHBondContact O-N 3.29Å; W429-N431 PolarHBondContact O-N 3.3Å; W429-P432 HydrophobicContact CB-CB 4.24Å; W429-P432 VanDerWaalsContact O-CD 3.31Å; W429-P432 WeakPolarHBondContact O-CD 3.17Å; W429-P432 VanDerWaalsContact O-CG 3.23Å; W429-P432 WeakPolarHBondContact O-CG 3.47Å; W429-R439 HydrophobicContact CZ3-CB 4.41Å; W429-F440 HydrophobicContact CH2-CE1 4.39Å; W429-F440 HydrophobicContact CH2-CZ 4.08Å; W429-F440 HydrophobicContact CZ3-CZ 4.34Å; W429-A452 HydrophobicContact CZ2-CB 4.38Å; W429-A452 WeakPolarHBondContact CZ2-O 3.31Å; W429-F453 HydrophobicContact CH2-CB 4.06Å; W429-F453 HydrophobicContact CH2-CD2 4.26Å; W429-F453 HydrophobicContact CH2-CG 4.45Å; W429-F453 HydrophobicContact CZ2-CB 3.99Å; W429-F453 HydrophobicContact CZ2-CD2 4.42Å
430	E	96.6	Very high	97.7	Very high	149 Å²	149	43.7 Å²	43.7	70%	0.696	24%	0.244	S	C	*	.	S	Bend	trans	-63.6	130.5	173.8	-176.8	177.9	-174.1	0	0	110.2	R439	E430-R439 PolarHBondContact O-NH1 3.41Å; E430-R439 PolarHBondContact O-NH2 3.26Å
431	N	97.4	Very high	97.7	Very high	105 Å²	105	45.7 Å²	45.7	56%	0.561	25%	0.254	S	S	*	.	S	Bend	trans	48.9	66.3	-172.8	-58.5	-48.5	0	0	0	112	W429 D433 V434 R439	W429-N431 PolarHBondContact O-N 3.3Å; N431-D433 PolarHBondContact O-N 3.35Å; N431-V434 HydrophobicContact CB-CB 4.23Å; N431-V434 HydrophobicContact CB-CG2 3.83Å; N431-V434 WeakPolarHBondContact O-CB 3.21Å; N431-V434 PolarHBondContact O-N 2.94Å; N431-R439 PolarHBondContact O-NH2 3.12Å
432	P	97.6	Very high	97.7	Very high	26 Å²	26	50.6 Å²	50.6	17%	0.169	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.1	-164.4	-17.7	22.7	0	0	0	115.5	R385 L386 R424 A426 W429	R385-P432 VanDerWaalsContact CZ-O 3.23Å; R385-P432 PolarHBondContact NH1-O 3.46Å; R385-P432 PolarHBondContact NH2-O 2.84Å; L386-P432 WeakPolarHBondContact CD2-O 3.37Å; R424-P432 HydrophobicContact CB-CB 4.05Å; R424-P432 HydrophobicContact CG-CB 4.32Å; R424-P432 VanDerWaalsContact O-CB 3.24Å; R424-P432 WeakPolarHBondContact O-CB 3.39Å; R424-P432 WeakPolarHBondContact O-CG 3.29Å; A426-P432 HydrophobicContact CB-CG 3.93Å; W429-P432 HydrophobicContact CB-CB 4.24Å; W429-P432 VanDerWaalsContact O-CD 3.31Å; W429-P432 WeakPolarHBondContact O-CD 3.17Å; W429-P432 VanDerWaalsContact O-CG 3.23Å; W429-P432 WeakPolarHBondContact O-CG 3.47Å
433	D	97	Very high	97.6	Very high	105 Å²	105	56.2 Å²	56.2	56%	0.561	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-6.6	-178.1	-65.8	-48.7	0	0	0	113.9	R424 N431	R424-D433 WeakPolarHBondContact CD-OD1 3.32Å; R424-D433 IonicContact NE-OD1 3.45Å; R424-D433 PolarHBondContact NE-OD1 3.35Å; N431-D433 PolarHBondContact O-N 3.35Å
434	V	98.4	Very high	97.5	Very high	81 Å²	81	58.9 Å²	58.9	49%	0.491	33%	0.327	S	S	.	.	S	Bend	trans	-78.9	127	176.2	176	0	0	0	0	109.9	E382 R385 N431 D436 R439	E382-V434 VanDerWaalsContact OE1-O 3.05Å; R385-V434 PolarHBondContact NH2-O 3.42Å; N431-V434 HydrophobicContact CB-CB 4.23Å; N431-V434 HydrophobicContact CB-CG2 3.83Å; N431-V434 WeakPolarHBondContact O-CB 3.21Å; N431-V434 PolarHBondContact O-N 2.94Å; V434-D436 PolarHBondContact O-N 2.77Å; V434-R439 PolarHBondContact O-NH2 3.48Å
435	F	98.8	Very high	97.4	Very high	13 Å²	13	60.6 Å²	60.6	6%	0.057	34%	0.34	C	S	.	.			trans	-72	107.5	170	-172.2	-83.9	0	0	0	109.1	C340 H344 H347 C379 E382 L386 P437	C340-F435 HydrophobicContact CB-CD2 4.02Å; C340-F435 HydrophobicContact CB-CE2 3.55Å; C340-F435 HydrophobicContact CB-CZ 4.2Å; H344-F435 AromaticContact CE1-CG 3.76Å; H344-F435 AromaticContact ND1-CG 3.98Å; H344-F435 WeakPolarHBondContact NE2-CB 3.41Å; H347-F435 HydrophobicContact CB-CE1 4.48Å; H347-F435 AromaticContact CD2-CD1 3.58Å; H347-F435 AromaticContact CD2-CE1 3.68Å; C379-F435 HydrophobicContact CB-CZ 4.27Å; E382-F435 HydrophobicContact CB-CD2 4.4Å; E382-F435 HydrophobicContact CB-CE2 4Å; E382-F435 HydrophobicContact CB-CZ 4.1Å; E382-F435 HydrophobicContact CG-CB 4.47Å; E382-F435 HydrophobicContact CG-CD1 4.19Å; E382-F435 HydrophobicContact CG-CD2 3.67Å; E382-F435 HydrophobicContact CG-CE1 4.33Å; E382-F435 HydrophobicContact CG-CE2 3.78Å; E382-F435 HydrophobicContact CG-CG 3.85Å; E382-F435 HydrophobicContact CG-CZ 4.12Å; E382-F435 WeakPolarHBondContact OE1-CA 2.95Å; L386-F435 HydrophobicContact CD1-CB 3.94Å; L386-F435 HydrophobicContact CD1-CD2 3.78Å; L386-F435 HydrophobicContact CD1-CG 4.32Å; F435-P437 HydrophobicContact CD1-CG 4.13Å; F435-P437 HydrophobicContact CE1-CG 3.56Å; F435-P437 HydrophobicContact CZ-CG 4.36Å
436	D	98.7	Very high	97.3	Very high	51 Å²	51	64.1 Å²	64.1	27%	0.273	37%	0.366	S	S	.	.			trans	-135	102.4	176.7	170.5	18.7	0	0	0	110.4	E382 V434 L438 R439	E382-D436 PolarHBondContact OE1-N 3.43Å; V434-D436 PolarHBondContact O-N 2.77Å; D436-L438 PolarHBondContact O-N 2.88Å; D436-L438 WeakPolarHBondContact OD1-CA 3.32Å; D436-L438 VanDerWaalsContact OD1-CB 3.25Å; D436-L438 WeakPolarHBondContact OD1-CB 3.13Å; D436-L438 PolarHBondContact OD1-N 2.85Å; D436-R439 HydrophobicContact CB-CG 4.08Å; D436-R439 WeakPolarHBondContact O-CB 3.47Å; D436-R439 WeakPolarHBondContact O-CD 3.4Å; D436-R439 WeakPolarHBondContact O-CG 3.38Å; D436-R439 PolarHBondContact O-N 3.46Å
437	P	98.8	Very high	97.2	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-58.4	-29.8	176	-26.4	36.3	0	0	0	113.7	M378 C379 F435 R439 F440	M378-P437 HydrophobicContact CB-CB 3.96Å; M378-P437 WeakPolarHBondContact CB-O 3.32Å; C379-P437 HydrophobicContact CB-CG 4.45Å; C379-P437 WeakPolarHBondContact SG-CG 3.26Å; F435-P437 HydrophobicContact CD1-CG 4.13Å; F435-P437 HydrophobicContact CE1-CG 3.56Å; F435-P437 HydrophobicContact CZ-CG 4.36Å; P437-R439 PolarHBondContact O-N 3.06Å; P437-R439 VanDerWaalsContact O-N 3.11Å; P437-F440 PolarHBondContact O-N 3.5Å
438	L	98.4	Very high	97.2	Very high	79 Å²	79	66 Å²	66	41%	0.414	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-68.6	-14	-174.1	-55.4	-177.4	0	0	0	112.7	Y375 D436 F440 L441 N444	Y375-L438 HydrophobicContact CE2-CD2 4.14Å; D436-L438 PolarHBondContact O-N 2.88Å; D436-L438 WeakPolarHBondContact OD1-CA 3.32Å; D436-L438 VanDerWaalsContact OD1-CB 3.25Å; D436-L438 WeakPolarHBondContact OD1-CB 3.13Å; D436-L438 PolarHBondContact OD1-N 2.85Å; L438-F440 PolarHBondContact O-N 2.93Å; L438-L441 HydrophobicContact CB-CD1 3.99Å; L438-L441 HydrophobicContact CB-CG 4.32Å; L438-L441 HydrophobicContact CD2-CD1 4.29Å; L438-L441 HydrophobicContact CD2-CG 4.4Å; L438-L441 WeakPolarHBondContact O-CB 3.42Å; L438-L441 VanDerWaalsContact O-CG 3.3Å; L438-L441 WeakPolarHBondContact O-CG 3.39Å; L438-L441 PolarHBondContact O-N 2.72Å; L438-N444 PolarHBondContact O-ND2 3.23Å
439	R	98.4	Very high	97.3	Very high	22 Å²	22	65.7 Å²	65.7	8%	0.083	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-53.1	-25.2	164.8	-62.9	177.4	-166.9	-70.7	7.1	112.5	E382 W429 E430 N431 V434 D436 P437 N444 R448	E382-R439 IonicContact OE1-NE 2.88Å; E382-R439 PolarHBondContact OE1-NE 2.78Å; W429-R439 HydrophobicContact CZ3-CB 4.41Å; E430-R439 PolarHBondContact O-NH1 3.41Å; E430-R439 PolarHBondContact O-NH2 3.26Å; N431-R439 PolarHBondContact O-NH2 3.12Å; V434-R439 PolarHBondContact O-NH2 3.48Å; D436-R439 HydrophobicContact CB-CG 4.08Å; D436-R439 WeakPolarHBondContact O-CB 3.47Å; D436-R439 WeakPolarHBondContact O-CD 3.4Å; D436-R439 WeakPolarHBondContact O-CG 3.38Å; D436-R439 PolarHBondContact O-N 3.46Å; P437-R439 PolarHBondContact O-N 3.06Å; P437-R439 VanDerWaalsContact O-N 3.11Å; R439-N444 WeakPolarHBondContact O-CB 3.42Å; R439-R448 PolarHBondContact O-NH1 2.9Å; R439-R448 PolarHBondContact O-NH2 2.68Å
440	F	98.5	Very high	97.1	Very high	11 Å²	11	70.7 Å²	70.7	5%	0.048	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-100.5	12.1	-178.4	-64.7	-78.7	0	0	0	114.5	M378 K381 E382 R385 W429 P437 L438 V445 F453	M378-F440 HydrophobicContact CB-CB 4.1Å; M378-F440 HydrophobicContact CG-CB 3.8Å; M378-F440 HydrophobicContact SD-CB 4.39Å; K381-F440 HydrophobicContact CB-CB 4.48Å; K381-F440 HydrophobicContact CB-CD1 3.75Å; K381-F440 HydrophobicContact CB-CD2 3.69Å; K381-F440 HydrophobicContact CB-CE1 3.78Å; K381-F440 HydrophobicContact CB-CE2 3.73Å; K381-F440 HydrophobicContact CB-CG 3.69Å; K381-F440 HydrophobicContact CB-CZ 3.77Å; K381-F440 HydrophobicContact CD-CB 4.11Å; K381-F440 HydrophobicContact CD-CD1 3.62Å; K381-F440 HydrophobicContact CD-CE1 4.21Å; K381-F440 HydrophobicContact CD-CG 3.89Å; K381-F440 HydrophobicContact CG-CD1 4.3Å; K381-F440 HydrophobicContact CG-CE1 4.49Å; K381-F440 HydrophobicContact CG-CG 4.47Å; E382-F440 HydrophobicContact CB-CD2 4.25Å; E382-F440 HydrophobicContact CB-CE2 3.91Å; E382-F440 VanDerWaalsContact OE2-CE2 3.27Å; E382-F440 WeakPolarHBondContact OE2-CE2 3.46Å; R385-F440 HydrophobicContact CB-CZ 4.32Å; W429-F440 HydrophobicContact CH2-CE1 4.39Å; W429-F440 HydrophobicContact CH2-CZ 4.08Å; W429-F440 HydrophobicContact CZ3-CZ 4.34Å; P437-F440 PolarHBondContact O-N 3.5Å; L438-F440 PolarHBondContact O-N 2.93Å; F440-V445 HydrophobicContact CB-CG2 4.48Å; F440-V445 HydrophobicContact CD1-CG2 4.27Å; F440-F453 AromaticContact CE1-CD1 3.74Å; F440-F453 HydrophobicContact CE1-CD1 3.74Å; F440-F453 AromaticContact CE1-CD2 3.99Å; F440-F453 HydrophobicContact CE1-CD2 3.99Å; F440-F453 AromaticContact CE1-CE1 3.76Å; F440-F453 HydrophobicContact CE1-CE1 3.76Å; F440-F453 HydrophobicContact CE1-CE2 4.02Å; F440-F453 AromaticContact CE1-CG 3.83Å; F440-F453 HydrophobicContact CE1-CG 3.83Å; F440-F453 AromaticContact CE1-CZ 3.88Å; F440-F453 HydrophobicContact CE1-CZ 3.88Å; F440-F453 HydrophobicContact CZ-CD1 4.41Å; F440-F453 AromaticContact CZ-CD2 3.88Å; F440-F453 HydrophobicContact CZ-CD2 3.88Å; F440-F453 HydrophobicContact CZ-CE1 4.27Å; F440-F453 AromaticContact CZ-CE2 3.73Å; F440-F453 HydrophobicContact CZ-CE2 3.73Å; F440-F453 HydrophobicContact CZ-CG 4.21Å; F440-F453 AromaticContact CZ-CZ 3.91Å; F440-F453 HydrophobicContact CZ-CZ 3.91Å
441	L	98.1	Very high	97.2	Very high	46 Å²	46	64.5 Å²	64.5	24%	0.241	35%	0.354	C	S	.	.	S	Bend	trans	-56.1	143.4	165.1	-72	170.4	0	0	0	110.4	M378 L438 E443 N444 V445	M378-L441 HydrophobicContact CE-CD2 4.14Å; M378-L441 HydrophobicContact SD-CD2 3.9Å; M378-L441 HydrophobicContact SD-CG 4.15Å; L438-L441 HydrophobicContact CB-CD1 3.99Å; L438-L441 HydrophobicContact CB-CG 4.32Å; L438-L441 HydrophobicContact CD2-CD1 4.29Å; L438-L441 HydrophobicContact CD2-CG 4.4Å; L438-L441 WeakPolarHBondContact O-CB 3.42Å; L438-L441 VanDerWaalsContact O-CG 3.3Å; L438-L441 WeakPolarHBondContact O-CG 3.39Å; L438-L441 PolarHBondContact O-N 2.72Å; L441-E443 HydrophobicContact CB-CG 4.06Å; L441-E443 PolarHBondContact O-N 3.08Å; L441-E443 VanDerWaalsContact O-N 3.16Å; L441-N444 HydrophobicContact CB-CB 4.46Å; L441-N444 PolarHBondContact O-N 3.03Å; L441-V445 WeakPolarHBondContact O-CG2 3.33Å; L441-V445 PolarHBondContact O-N 3.49Å
442	P	96.8	Very high	97.2	Very high	106 Å²	106	59.5 Å²	59.5	69%	0.688	33%	0.327	S	S	*	.	H	α-helix	trans	-52.3	-40.5	-177.5	-28.9	35.6	0	0	0	114.1	N444 V445 S446	P442-N444 PolarHBondContact O-N 3.2Å; P442-V445 PolarHBondContact O-N 3.33Å; P442-S446 WeakPolarHBondContact O-CB 3.41Å; P442-S446 PolarHBondContact O-N 3.36Å; P442-S446 PolarHBondContact O-OG 3Å
443	E	96.9	Very high	97.2	Very high	118 Å²	118	60.4 Å²	60.4	55%	0.551	33%	0.328	S	S	*	.	H	α-helix	trans	-66	-30	177.1	63.4	-155.9	-142.9	0	0	114.8	L441 S446 K447	L441-E443 HydrophobicContact CB-CG 4.06Å; L441-E443 PolarHBondContact O-N 3.08Å; L441-E443 VanDerWaalsContact O-N 3.16Å; E443-S446 PolarHBondContact O-OG 2.81Å; E443-S446 VanDerWaalsContact O-OG 3.09Å; E443-K447 WeakPolarHBondContact O-CD 3.33Å; E443-K447 WeakPolarHBondContact O-CG 3.27Å
444	N	96.7	Very high	97.3	Very high	56 Å²	56	55.6 Å²	55.6	30%	0.299	30%	0.303	S	S	.	.	H	α-helix	trans	-83.8	-35.4	177.4	-72.2	-23.3	0	0	0	111	L438 R439 L441 P442	L438-N444 PolarHBondContact O-ND2 3.23Å; R439-N444 WeakPolarHBondContact O-CB 3.42Å; L441-N444 HydrophobicContact CB-CB 4.46Å; L441-N444 PolarHBondContact O-N 3.03Å; P442-N444 PolarHBondContact O-N 3.2Å
445	V	96.5	Very high	97.2	Very high	62 Å²	62	52.5 Å²	52.5	38%	0.376	28%	0.284	S	S	.	.	H	α-helix	trans	-67.7	-41.8	175.6	174.8	0	0	0	0	111.2	F440 L441 P442 K447 R448	F440-V445 HydrophobicContact CB-CG2 4.48Å; F440-V445 HydrophobicContact CD1-CG2 4.27Å; L441-V445 WeakPolarHBondContact O-CG2 3.33Å; L441-V445 PolarHBondContact O-N 3.49Å; P442-V445 PolarHBondContact O-N 3.33Å; V445-K447 PolarHBondContact O-N 3.49Å; V445-R448 PolarHBondContact O-N 3.17Å
446	S	95.4	Very high	97.2	Very high	93 Å²	93	53.5 Å²	53.5	65%	0.65	29%	0.289	S	S	*	.	H	α-helix	trans	-63.1	-27.4	-177.9	66	0	0	0	0	113.7	P442 E443	P442-S446 WeakPolarHBondContact O-CB 3.41Å; P442-S446 PolarHBondContact O-N 3.36Å; P442-S446 PolarHBondContact O-OG 3Å; E443-S446 PolarHBondContact O-OG 2.81Å; E443-S446 VanDerWaalsContact O-OG 3.09Å
447	K	94.6	Very high	97.1	Very high	170 Å²	170	51.9 Å²	51.9	74%	0.739	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-14.9	176.7	-63.9	172.4	-172.1	170.4	0	113.4	E443 V445	E443-K447 WeakPolarHBondContact O-CD 3.33Å; E443-K447 WeakPolarHBondContact O-CG 3.27Å; V445-K447 PolarHBondContact O-N 3.49Å
448	R	95.9	Very high	96.9	Very high	46 Å²	46	52.9 Å²	52.9	17%	0.174	29%	0.289	C	S	.	.	S	Bend	trans	-91.3	144.4	-174.4	-168.3	-179.4	-58.3	141.9	13.3	110.9	V428 R439 V445 A452	V428-R448 HydrophobicContact CG1-CG 4.26Å; R439-R448 PolarHBondContact O-NH1 2.9Å; R439-R448 PolarHBondContact O-NH2 2.68Å; V445-R448 PolarHBondContact O-N 3.17Å; R448-A452 HydrophobicContact CG-CB 3.69Å
449	S	95.7	Very high	96.7	Very high	39 Å²	39	50.6 Å²	50.6	27%	0.273	29%	0.285	S	S	.	.			trans	-55.4	134.3	169.2	175.4	0	0	0	0	110.8	H451 A452	S449-H451 PolarHBondContact O-N 3.33Å; S449-H451 PolarHBondContact OG-N 2.74Å; S449-A452 VanDerWaalsContact O-CB 3.3Å; S449-A452 WeakPolarHBondContact O-CB 3.48Å; S449-A452 PolarHBondContact O-N 2.82Å
450	P	94.8	Very high	96.3	Very high	106 Å²	106	51.5 Å²	51.5	69%	0.688	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-12.8	177	26	-33.4	0	0	0	113
451	H	97.2	Very high	96.1	Very high	20 Å²	20	52.5 Å²	52.5	9%	0.093	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	2.7	177.6	-64	84.6	0	0	0	113.4	P105 V108 K109 S449	P105-H451 HydrophobicContact CB-CB 4.44Å; P105-H451 WeakPolarHBondContact O-CB 3.37Å; V108-H451 HydrophobicContact CB-CB 4.37Å; V108-H451 HydrophobicContact CG1-CB 4.14Å; K109-H451 HydrophobicContact CB-CB 4.13Å; S449-H451 PolarHBondContact O-N 3.33Å; S449-H451 PolarHBondContact OG-N 2.74Å
452	A	97.9	Very high	95.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.298	C	S	.	.	S	Bend	trans	-78.2	-29.2	174.3	0	0	0	0	0	113.3	P105 H423 V428 W429 R448 S449	P105-A452 HydrophobicContact CB-CB 4.31Å; P105-A452 HydrophobicContact CG-CB 3.88Å; H423-A452 PolarHBondContact CD2-O 3.33Å; H423-A452 VanDerWaalsContact CD2-O 3.31Å; V428-A452 HydrophobicContact CG1-CB 3.61Å; W429-A452 HydrophobicContact CZ2-CB 4.38Å; W429-A452 WeakPolarHBondContact CZ2-O 3.31Å; R448-A452 HydrophobicContact CG-CB 3.69Å; S449-A452 VanDerWaalsContact O-CB 3.3Å; S449-A452 WeakPolarHBondContact O-CB 3.48Å; S449-A452 PolarHBondContact O-N 2.82Å
453	F	98.5	Very high	96	Very high	44 Å²	44	49.9 Å²	49.9	19%	0.193	28%	0.281	C	S	.	.			trans	-127.5	92	179.9	-178.1	-109.9	0	0	0	109.9	K381 L384 R385 W429 F440 P455	K381-F453 HydrophobicContact CB-CE1 4.25Å; K381-F453 HydrophobicContact CB-CZ 3.91Å; K381-F453 HydrophobicContact CD-CE1 4.48Å; K381-F453 HydrophobicContact CG-CE1 4.15Å; K381-F453 HydrophobicContact CG-CZ 4.2Å; K381-F453 WeakPolarHBondContact O-CE2 3.42Å; K381-F453 WeakPolarHBondContact O-CZ 3.28Å; L384-F453 HydrophobicContact CB-CE2 4.36Å; L384-F453 HydrophobicContact CB-CZ 4.16Å; R385-F453 HydrophobicContact CB-CD2 4.15Å; R385-F453 HydrophobicContact CB-CE2 3.83Å; R385-F453 HydrophobicContact CG-CD2 4.38Å; W429-F453 HydrophobicContact CH2-CB 4.06Å; W429-F453 HydrophobicContact CH2-CD2 4.26Å; W429-F453 HydrophobicContact CH2-CG 4.45Å; W429-F453 HydrophobicContact CZ2-CB 3.99Å; W429-F453 HydrophobicContact CZ2-CD2 4.42Å; F440-F453 AromaticContact CE1-CD1 3.74Å; F440-F453 HydrophobicContact CE1-CD1 3.74Å; F440-F453 AromaticContact CE1-CD2 3.99Å; F440-F453 HydrophobicContact CE1-CD2 3.99Å; F440-F453 AromaticContact CE1-CE1 3.76Å; F440-F453 HydrophobicContact CE1-CE1 3.76Å; F440-F453 HydrophobicContact CE1-CE2 4.02Å; F440-F453 AromaticContact CE1-CG 3.83Å; F440-F453 HydrophobicContact CE1-CG 3.83Å; F440-F453 AromaticContact CE1-CZ 3.88Å; F440-F453 HydrophobicContact CE1-CZ 3.88Å; F440-F453 HydrophobicContact CZ-CD1 4.41Å; F440-F453 AromaticContact CZ-CD2 3.88Å; F440-F453 HydrophobicContact CZ-CD2 3.88Å; F440-F453 HydrophobicContact CZ-CE1 4.27Å; F440-F453 AromaticContact CZ-CE2 3.73Å; F440-F453 HydrophobicContact CZ-CE2 3.73Å; F440-F453 HydrophobicContact CZ-CG 4.21Å; F440-F453 AromaticContact CZ-CZ 3.91Å; F440-F453 HydrophobicContact CZ-CZ 3.91Å; F453-P455 HydrophobicContact CD1-CG 4.3Å; F453-P455 HydrophobicContact CD2-CG 4.43Å; F453-P455 HydrophobicContact CE1-CG 3.74Å; F453-P455 HydrophobicContact CE2-CG 3.87Å; F453-P455 HydrophobicContact CZ-CG 3.52Å
454	V	97.8	Very high	96	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.03	26%	0.26	C	S	.	.			trans	-125.1	50.9	-175.2	-68.3	0	0	0	0	113.6	V108 L112 M419 H423 F456 S457 A458	V108-V454 HydrophobicContact CG1-CG2 4.23Å; L112-V454 HydrophobicContact CD1-CG2 4.38Å; M419-V454 HydrophobicContact CG-CG2 4.35Å; H423-V454 PolarHBondContact NE2-N 2.73Å; H423-V454 VanDerWaalsContact NE2-N 3.15Å; V454-F456 PolarHBondContact O-N 3.32Å; V454-F456 VanDerWaalsContact O-N 3.15Å; V454-S457 PolarHBondContact O-N 2.97Å; V454-A458 HydrophobicContact CG1-CB 4.06Å
455	P	97.9	Very high	96	Very high	15 Å²	15	43.1 Å²	43.1	10%	0.097	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.4	178.9	28.7	-36.5	0	0	0	113.2	L384 F453	L384-P455 HydrophobicContact CB-CB 4.19Å; L384-P455 HydrophobicContact CB-CG 4.38Å; F453-P455 HydrophobicContact CD1-CG 4.3Å; F453-P455 HydrophobicContact CD2-CG 4.43Å; F453-P455 HydrophobicContact CE1-CG 3.74Å; F453-P455 HydrophobicContact CE2-CG 3.87Å; F453-P455 HydrophobicContact CZ-CG 3.52Å
456	F	98.1	Very high	96.1	Very high	34 Å²	34	43.8 Å²	43.8	15%	0.149	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	19.5	175.7	-63.8	-77.3	0	0	0	112.8	L384 V454 C463 Q466 A469 I470	L384-F456 HydrophobicContact CD1-CE2 3.98Å; L384-F456 HydrophobicContact CD1-CZ 4.23Å; V454-F456 PolarHBondContact O-N 3.32Å; V454-F456 VanDerWaalsContact O-N 3.15Å; F456-C463 HydrophobicContact CB-CB 3.84Å; F456-C463 HydrophobicContact CD1-CB 3.93Å; F456-C463 HydrophobicContact CG-CB 4.38Å; F456-C463 WeakPolarHBondContact O-CB 3.24Å; F456-C463 PolarHBondContact O-N 3.37Å; F456-Q466 HydrophobicContact CB-CB 4.26Å; F456-Q466 HydrophobicContact CB-CG 4.03Å; F456-Q466 HydrophobicContact CD1-CB 3.98Å; F456-Q466 HydrophobicContact CD1-CG 3.92Å; F456-Q466 HydrophobicContact CD2-CG 3.73Å; F456-Q466 HydrophobicContact CE1-CG 4.33Å; F456-Q466 HydrophobicContact CE2-CG 4.17Å; F456-Q466 HydrophobicContact CG-CB 4.03Å; F456-Q466 HydrophobicContact CG-CG 3.6Å; F456-Q466 HydrophobicContact CZ-CG 4.45Å; F456-A469 HydrophobicContact CE1-CB 3.86Å; F456-A469 HydrophobicContact CZ-CB 4.3Å; F456-I470 HydrophobicContact CE2-CD1 3.73Å; F456-I470 HydrophobicContact CE2-CG1 4.07Å; F456-I470 HydrophobicContact CZ-CD1 3.85Å; F456-I470 HydrophobicContact CZ-CG1 4.05Å
457	S	96.6	Very high	96.2	Very high	18 Å²	18	42.6 Å²	42.6	13%	0.126	24%	0.24	C	C	.	.			trans	57.5	-173.3	-166.4	-175.2	0	0	0	0	111.6	V454	V454-S457 PolarHBondContact O-N 2.97Å
458	A	94.5	Very high	96.4	Very high	20 Å²	20	34.9 Å²	34.9	17%	0.165	21%	0.206	C	C	.	.			trans	-139.7	174.9	172.4	0	0	0	0	0	110.3	L112 V454	L112-A458 HydrophobicContact CB-CB 4.13Å; L112-A458 HydrophobicContact CD1-CB 4.16Å; V454-A458 HydrophobicContact CG1-CB 4.06Å
459	G	93.2	Very high	96.5	Very high	32 Å²	32	33.1 Å²	33.1	33%	0.33	20%	0.201	S	C	.	.	S	Bend	trans	73.2	-164.8	178.1	0	0	0	0	0	114.4	L112 R461 N462	L112-G459 VanDerWaalsContact O-CA 3.31Å; L112-G459 WeakPolarHBondContact O-CA 3.36Å; G459-R461 PolarHBondContact O-N 2.91Å; G459-N462 VanDerWaalsContact O-CB 3.26Å; G459-N462 WeakPolarHBondContact O-CB 3.25Å; G459-N462 VanDerWaalsContact O-CG 3.32Å; G459-N462 PolarHBondContact O-N 3.37Å; G459-N462 VanDerWaalsContact O-N 3.1Å
460	P	91.2	Very high	96.7	Very high	41 Å²	41	32.8 Å²	32.8	27%	0.266	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-25.4	-174.8	22.5	-30.5	0	0	0	113.4	T115 W143 N462	T115-P460 HydrophobicContact CG2-CG 4.1Å; W143-P460 HydrophobicContact CH2-CB 3.83Å; W143-P460 WeakPolarHBondContact CZ2-O 3.49Å; P460-N462 VanDerWaalsContact C-N 3.3Å
461	R	93	Very high	96.8	Very high	31 Å²	31	28.4 Å²	28.4	12%	0.117	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	30.3	177.7	-57.7	-64.9	-67.1	-111.3	12.1	111.6	L136 S138 W143 G459	L136-R461 PolarHBondContact O-NH2 3.4Å; S138-R461 PolarHBondContact O-NH1 3.3Å; S138-R461 VanDerWaalsContact O-NH1 3.07Å; S138-R461 PolarHBondContact O-NH2 3Å; W143-R461 VanDerWaalsContact CZ2-CD 3.4Å; W143-R461 HydrophobicContact CZ2-CG 4.46Å; G459-R461 PolarHBondContact O-N 2.91Å
462	N	95.3	Very high	96.9	Very high	49 Å²	49	27.4 Å²	27.4	26%	0.262	16%	0.162	S	C	.	.	S	Bend	trans	-70.4	165.4	170.2	72.8	-14.1	0	0	0	111.7	R147 G459 P460 I464	R147-N462 PolarHBondContact NH1-O 2.9Å; R147-N462 PolarHBondContact NH2-OD1 3.45Å; G459-N462 VanDerWaalsContact O-CB 3.26Å; G459-N462 WeakPolarHBondContact O-CB 3.25Å; G459-N462 VanDerWaalsContact O-CG 3.32Å; G459-N462 PolarHBondContact O-N 3.37Å; G459-N462 VanDerWaalsContact O-N 3.1Å; P460-N462 VanDerWaalsContact C-N 3.3Å; N462-I464 PolarHBondContact O-N 3.33Å
463	C	97.6	Very high	97	Very high	49 Å²	49	27.6 Å²	27.6	33%	0.331	16%	0.163	S	C	.	.			trans	-61.1	121	175	-175.2	0	0	0	0	110.4	F456 G465 Q466	F456-C463 HydrophobicContact CB-CB 3.84Å; F456-C463 HydrophobicContact CD1-CB 3.93Å; F456-C463 HydrophobicContact CG-CB 4.38Å; F456-C463 WeakPolarHBondContact O-CB 3.24Å; F456-C463 PolarHBondContact O-N 3.37Å; C463-G465 VanDerWaalsContact C-N 3.31Å; C463-G465 PolarHBondContact SG-N 2.86Å; C463-Q466 HydrophobicContact CB-CB 4.34Å
464	I	97.1	Very high	97	Very high	19 Å²	19	26.3 Å²	26.3	10%	0.097	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-32.7	175.5	-163.8	177.4	0	0	0	111.6	L135 L150 F154 F322 N462 Q466	L135-I464 HydrophobicContact CD2-CB 4.39Å; L135-I464 HydrophobicContact CD2-CD1 3.89Å; L135-I464 HydrophobicContact CD2-CG2 4.02Å; L150-I464 HydrophobicContact CB-CD1 4.02Å; F154-I464 HydrophobicContact CD2-CD1 3.78Å; F154-I464 HydrophobicContact CD2-CG1 3.64Å; F154-I464 HydrophobicContact CD2-CG2 4.49Å; F154-I464 HydrophobicContact CE2-CD1 3.83Å; F154-I464 HydrophobicContact CE2-CG1 3.96Å; F154-I464 HydrophobicContact CE2-CG2 4.06Å; F154-I464 HydrophobicContact CG-CG1 4.29Å; F154-I464 HydrophobicContact CZ-CG2 4.28Å; F322-I464 HydrophobicContact CE1-CG2 3.66Å; F322-I464 HydrophobicContact CZ-CG2 3.83Å; N462-I464 PolarHBondContact O-N 3.33Å; I464-Q466 VanDerWaalsContact C-N 3.35Å; I464-Q466 PolarHBondContact O-N 2.71Å
465	G	97.8	Very high	97	Very high	12 Å²	12	26 Å²	26	12%	0.124	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	14.8	-178.7	0	0	0	0	0	114.9	C463 T467 F468 A469	C463-G465 VanDerWaalsContact C-N 3.31Å; C463-G465 PolarHBondContact SG-N 2.86Å; G465-T467 VanDerWaalsContact C-N 3.33Å; G465-T467 PolarHBondContact O-N 3.43Å; G465-F468 WeakPolarHBondContact O-CB 3.48Å; G465-F468 PolarHBondContact O-N 3.03Å; G465-A469 WeakPolarHBondContact O-CB 3.32Å; G465-A469 PolarHBondContact O-N 2.92Å
466	Q	97.9	Very high	97.1	Very high	76 Å²	76	25.3 Å²	25.3	36%	0.355	15%	0.151	S	C	.	.	H	α-helix	trans	-55	-45.8	-175	175.2	174.9	-6	0	0	112.7	F456 C463 I464 A469 I470	F456-Q466 HydrophobicContact CB-CB 4.26Å; F456-Q466 HydrophobicContact CB-CG 4.03Å; F456-Q466 HydrophobicContact CD1-CB 3.98Å; F456-Q466 HydrophobicContact CD1-CG 3.92Å; F456-Q466 HydrophobicContact CD2-CG 3.73Å; F456-Q466 HydrophobicContact CE1-CG 4.33Å; F456-Q466 HydrophobicContact CE2-CG 4.17Å; F456-Q466 HydrophobicContact CG-CB 4.03Å; F456-Q466 HydrophobicContact CG-CG 3.6Å; F456-Q466 HydrophobicContact CZ-CG 4.45Å; C463-Q466 HydrophobicContact CB-CB 4.34Å; I464-Q466 VanDerWaalsContact C-N 3.35Å; I464-Q466 PolarHBondContact O-N 2.71Å; Q466-A469 PolarHBondContact O-N 2.9Å; Q466-I470 WeakPolarHBondContact O-CG1 3.5Å; Q466-I470 PolarHBondContact O-N 3.1Å
467	T	97.9	Very high	97.1	Very high	69 Å²	69	23.7 Å²	23.7	42%	0.423	14%	0.144	S	C	.	.	H	α-helix	trans	-68	-40.9	-180	-50.3	0	0	0	0	111.5	L159 G465 I470 N471	L159-T467 HydrophobicContact CD1-CG2 3.48Å; L159-T467 VanDerWaalsContact CD1-CG2 3.48Å; G465-T467 VanDerWaalsContact C-N 3.33Å; G465-T467 PolarHBondContact O-N 3.43Å; T467-I470 PolarHBondContact O-N 3.13Å; T467-N471 WeakPolarHBondContact O-CB 3.48Å; T467-N471 PolarHBondContact O-N 3.31Å; T467-N471 PolarHBondContact O-ND2 2.76Å; T467-N471 PolarHBondContact O-OD1 2.93Å
468	F	98.4	Very high	97.2	Very high	8 Å²	8	22.9 Å²	22.9	4%	0.035	14%	0.138	C	C	.	.	H	α-helix	trans	-56.5	-51.7	173.4	177.3	-82.8	0	0	0	110.6	F154 L159 Y162 M166 I201 C204 G465 N471 E472	F154-F468 HydrophobicContact CD1-CB 4.34Å; F154-F468 HydrophobicContact CE1-CB 4.49Å; L159-F468 HydrophobicContact CD2-CB 4.07Å; L159-F468 HydrophobicContact CD2-CD2 4.02Å; Y162-F468 AromaticContact CD2-CD2 3.93Å; Y162-F468 HydrophobicContact CD2-CD2 3.93Å; Y162-F468 AromaticContact CD2-CE2 3.89Å; Y162-F468 HydrophobicContact CD2-CE2 3.89Å; Y162-F468 HydrophobicContact CE2-CD2 4.48Å; Y162-F468 HydrophobicContact CE2-CE2 4.46Å; M166-F468 HydrophobicContact CE-CD1 4.15Å; M166-F468 HydrophobicContact CE-CD2 3.53Å; M166-F468 HydrophobicContact CE-CE1 3.92Å; M166-F468 HydrophobicContact CE-CE2 3.26Å; M166-F468 HydrophobicContact CE-CG 3.96Å; M166-F468 HydrophobicContact CE-CZ 3.47Å; M166-F468 VanDerWaalsContact CE-CZ 3.47Å; I201-F468 HydrophobicContact CD1-CE1 3.83Å; I201-F468 HydrophobicContact CD1-CE2 4.16Å; I201-F468 HydrophobicContact CD1-CZ 3.59Å; C204-F468 HydrophobicContact CB-CE2 3.7Å; C204-F468 HydrophobicContact CB-CZ 4.23Å; G465-F468 WeakPolarHBondContact O-CB 3.48Å; G465-F468 PolarHBondContact O-N 3.03Å; F468-N471 PolarHBondContact O-N 3.18Å; F468-E472 PolarHBondContact O-N 2.76Å
469	A	98.6	Very high	97.4	Very high	8 Å²	8	22.4 Å²	22.4	7%	0.066	13%	0.133	C	C	.	.	H	α-helix	trans	-60.3	-51.5	-179.5	0	0	0	0	0	111.4	T330 F456 G465 Q466 N471 E472 L473	T330-A469 HydrophobicContact CG2-CB 3.76Å; F456-A469 HydrophobicContact CE1-CB 3.86Å; F456-A469 HydrophobicContact CZ-CB 4.3Å; G465-A469 WeakPolarHBondContact O-CB 3.32Å; G465-A469 PolarHBondContact O-N 2.92Å; Q466-A469 PolarHBondContact O-N 2.9Å; A469-N471 VanDerWaalsContact C-N 3.25Å; A469-N471 PolarHBondContact O-N 2.98Å; A469-E472 PolarHBondContact O-N 3.47Å; A469-E472 VanDerWaalsContact O-N 3.11Å; A469-L473 VanDerWaalsContact O-CG 3.23Å; A469-L473 WeakPolarHBondContact O-CG 3.35Å; A469-L473 PolarHBondContact O-N 3.5Å
470	I	98.6	Very high	97.6	Very high	33 Å²	33	20.9 Å²	20.9	17%	0.169	12%	0.117	C	C	.	.	H	α-helix	trans	-58.1	-39	179.6	-71.3	-64.6	0	0	0	111.9	L384 F456 Q466 T467 L473 K474	L384-I470 HydrophobicContact CD1-CD1 4.33Å; F456-I470 HydrophobicContact CE2-CD1 3.73Å; F456-I470 HydrophobicContact CE2-CG1 4.07Å; F456-I470 HydrophobicContact CZ-CD1 3.85Å; F456-I470 HydrophobicContact CZ-CG1 4.05Å; Q466-I470 WeakPolarHBondContact O-CG1 3.5Å; Q466-I470 PolarHBondContact O-N 3.1Å; T467-I470 PolarHBondContact O-N 3.13Å; I470-L473 HydrophobicContact CD1-CD1 4.33Å; I470-K474 HydrophobicContact CG2-CD 4.17Å; I470-K474 WeakPolarHBondContact O-CB 3.45Å; I470-K474 VanDerWaalsContact O-CG 3.26Å; I470-K474 WeakPolarHBondContact O-CG 3.42Å; I470-K474 PolarHBondContact O-N 3.26Å
471	N	98.7	Very high	98	Very high	13 Å²	13	19 Å²	19	7%	0.07	11%	0.105	C	C	.	.	H	α-helix	trans	-65.2	-46.2	176.1	-67.5	-4.8	0	0	0	111.3	M166 W367 L370 T467 F468 A469 K474 V475	M166-N471 HydrophobicContact SD-CB 4.28Å; W367-N471 WeakPolarHBondContact CZ3-ND2 3.46Å; L370-N471 HydrophobicContact CD1-CB 4.07Å; T467-N471 WeakPolarHBondContact O-CB 3.48Å; T467-N471 PolarHBondContact O-N 3.31Å; T467-N471 PolarHBondContact O-ND2 2.76Å; T467-N471 PolarHBondContact O-OD1 2.93Å; F468-N471 PolarHBondContact O-N 3.18Å; A469-N471 VanDerWaalsContact C-N 3.25Å; A469-N471 PolarHBondContact O-N 2.98Å; N471-K474 WeakPolarHBondContact O-CB 3.1Å; N471-K474 PolarHBondContact O-N 2.91Å; N471-V475 VanDerWaalsContact O-CG2 3.3Å; N471-V475 WeakPolarHBondContact O-CG2 3.25Å; N471-V475 PolarHBondContact O-N 3.43Å
472	E	98.8	Very high	98.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.9	-46.5	176.9	-170.9	175	-114.9	0	0	111.9	M166 S200 T330 I334 F468 A469 K474 V475 V476	M166-E472 HydrophobicContact CE-CB 3.93Å; M166-E472 HydrophobicContact CG-CB 4.43Å; M166-E472 HydrophobicContact CG-CG 4.37Å; M166-E472 HydrophobicContact SD-CB 3.89Å; M166-E472 HydrophobicContact SD-CG 4.45Å; S200-E472 WeakPolarHBondContact CB-OE1 3.33Å; S200-E472 PolarHBondContact OG-OE1 2.87Å; T330-E472 WeakPolarHBondContact CB-OE2 3.3Å; T330-E472 VanDerWaalsContact CG2-OE2 3.22Å; T330-E472 WeakPolarHBondContact CG2-OE2 3.34Å; T330-E472 PolarHBondContact OG1-OE2 3.37Å; I334-E472 HydrophobicContact CD1-CG 4.34Å; F468-E472 PolarHBondContact O-N 2.76Å; A469-E472 PolarHBondContact O-N 3.47Å; A469-E472 VanDerWaalsContact O-N 3.11Å; E472-K474 VanDerWaalsContact C-N 3.29Å; E472-K474 PolarHBondContact O-N 3.44Å; E472-V475 PolarHBondContact O-N 2.67Å; E472-V476 HydrophobicContact CG-CG2 4.29Å; E472-V476 WeakPolarHBondContact O-CB 3.36Å; E472-V476 VanDerWaalsContact O-CG2 3.27Å; E472-V476 WeakPolarHBondContact O-CG2 3.44Å; E472-V476 PolarHBondContact O-N 3.11Å
473	L	98.9	Very high	98.2	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.021	11%	0.11	C	C	.	.	H	α-helix	trans	-56	-44.6	175.8	-64.3	-175.8	0	0	0	111.1	I334 I337 I380 L384 A469 I470 T477	I334-L473 HydrophobicContact CB-CD2 4.39Å; I334-L473 HydrophobicContact CD1-CD2 4.26Å; I334-L473 HydrophobicContact CG1-CD2 3.35Å; I337-L473 HydrophobicContact CD1-CB 4.17Å; I337-L473 HydrophobicContact CD1-CD1 3.98Å; I337-L473 HydrophobicContact CD1-CD2 3.93Å; I337-L473 HydrophobicContact CD1-CG 4.22Å; I380-L473 HydrophobicContact CD1-CB 4.47Å; I380-L473 HydrophobicContact CG2-CB 4.27Å; I380-L473 HydrophobicContact CG2-CD1 3.94Å; L384-L473 HydrophobicContact CD1-CD1 4.02Å; L384-L473 HydrophobicContact CD2-CD1 4.26Å; A469-L473 VanDerWaalsContact O-CG 3.23Å; A469-L473 WeakPolarHBondContact O-CG 3.35Å; A469-L473 PolarHBondContact O-N 3.5Å; I470-L473 HydrophobicContact CD1-CD1 4.33Å; L473-T477 WeakPolarHBondContact O-CB 3.32Å; L473-T477 PolarHBondContact O-N 2.88Å; L473-T477 PolarHBondContact O-OG1 3.39Å
474	K	98.9	Very high	98.2	Very high	16 Å²	16	18.8 Å²	18.8	7%	0.07	10%	0.095	C	C	.	.	H	α-helix	trans	-64.8	-51.7	178.4	-79.9	179.2	174.8	-153.8	0	112.3	L370 I373 T377 I380 I470 N471 E472 V476 T477 A478	L370-K474 HydrophobicContact CB-CD 4.38Å; L370-K474 HydrophobicContact CD2-CB 3.73Å; L370-K474 HydrophobicContact CD2-CD 3.99Å; L370-K474 PolarHBondContact O-NZ 3.37Å; I373-K474 HydrophobicContact CD1-CB 4.05Å; I373-K474 HydrophobicContact CD1-CD 4.28Å; I373-K474 HydrophobicContact CD1-CG 4.05Å; T377-K474 WeakPolarHBondContact OG1-CE 3.31Å; T377-K474 PolarHBondContact OG1-NZ 2.93Å; I380-K474 HydrophobicContact CD1-CB 4.43Å; I380-K474 HydrophobicContact CD1-CG 3.76Å; I470-K474 HydrophobicContact CG2-CD 4.17Å; I470-K474 WeakPolarHBondContact O-CB 3.45Å; I470-K474 VanDerWaalsContact O-CG 3.26Å; I470-K474 WeakPolarHBondContact O-CG 3.42Å; I470-K474 PolarHBondContact O-N 3.26Å; N471-K474 WeakPolarHBondContact O-CB 3.1Å; N471-K474 PolarHBondContact O-N 2.91Å; E472-K474 VanDerWaalsContact C-N 3.29Å; E472-K474 PolarHBondContact O-N 3.44Å; K474-V476 PolarHBondContact O-N 3.19Å; K474-T477 PolarHBondContact O-N 2.93Å; K474-A478 WeakPolarHBondContact O-CB 3.33Å; K474-A478 PolarHBondContact O-N 3.44Å
475	V	98.8	Very high	98.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-57.3	-51.4	-179	170.2	0	0	0	0	110.5	V163 M166 S167 M365 L370 N471 E472 A478 L479	V163-V475 HydrophobicContact CG1-CG2 3.59Å; M166-V475 HydrophobicContact CB-CB 4.34Å; M166-V475 HydrophobicContact CB-CG1 4.03Å; M166-V475 HydrophobicContact CB-CG2 4.43Å; S167-V475 WeakPolarHBondContact OG-CG1 3.3Å; M365-V475 HydrophobicContact CB-CG2 4.26Å; M365-V475 HydrophobicContact CG-CG2 4.38Å; M365-V475 HydrophobicContact SD-CB 4.4Å; M365-V475 HydrophobicContact SD-CG2 3.92Å; L370-V475 HydrophobicContact CD2-CG2 4.03Å; N471-V475 VanDerWaalsContact O-CG2 3.3Å; N471-V475 WeakPolarHBondContact O-CG2 3.25Å; N471-V475 PolarHBondContact O-N 3.43Å; E472-V475 PolarHBondContact O-N 2.67Å; V475-A478 PolarHBondContact O-N 3.43Å; V475-L479 HydrophobicContact CG1-CD1 3.9Å; V475-L479 HydrophobicContact CG1-CG 4.48Å; V475-L479 WeakPolarHBondContact O-CG 3.35Å; V475-L479 PolarHBondContact O-N 2.86Å
476	V	98.8	Very high	98.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68.2	-42.1	-174.7	178.8	0	0	0	0	110.7	A170 M173 M196 I334 E472 K474 T480	A170-V476 HydrophobicContact CB-CG2 4.07Å; M173-V476 HydrophobicContact CE-CG1 4.05Å; M196-V476 HydrophobicContact CE-CB 4.26Å; M196-V476 HydrophobicContact CE-CG1 3.8Å; M196-V476 HydrophobicContact CE-CG2 3.51Å; M196-V476 HydrophobicContact SD-CG2 3.81Å; I334-V476 HydrophobicContact CD1-CB 3.92Å; I334-V476 HydrophobicContact CD1-CG1 4.05Å; I334-V476 HydrophobicContact CD1-CG2 3.87Å; I334-V476 HydrophobicContact CG1-CB 4.47Å; I334-V476 HydrophobicContact CG2-CB 4.4Å; I334-V476 HydrophobicContact CG2-CG1 3.68Å; E472-V476 HydrophobicContact CG-CG2 4.29Å; E472-V476 WeakPolarHBondContact O-CB 3.36Å; E472-V476 VanDerWaalsContact O-CG2 3.27Å; E472-V476 WeakPolarHBondContact O-CG2 3.44Å; E472-V476 PolarHBondContact O-N 3.11Å; K474-V476 PolarHBondContact O-N 3.19Å; V476-T480 WeakPolarHBondContact O-CB 3.41Å; V476-T480 PolarHBondContact O-N 2.84Å; V476-T480 PolarHBondContact O-OG1 3.18Å
477	T	98.8	Very high	98.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.1	-47.1	175.5	-56.3	0	0	0	0	110.7	I337 L341 T376 L473 K474 T480 L481	I337-T477 HydrophobicContact CG2-CG2 3.96Å; I337-T477 WeakPolarHBondContact CG2-OG1 3.31Å; L341-T477 HydrophobicContact CD1-CG2 3.68Å; T376-T477 HydrophobicContact CG2-CG2 4.08Å; L473-T477 WeakPolarHBondContact O-CB 3.32Å; L473-T477 PolarHBondContact O-N 2.88Å; L473-T477 PolarHBondContact O-OG1 3.39Å; K474-T477 PolarHBondContact O-N 2.93Å; T477-T480 PolarHBondContact O-N 3.36Å; T477-L481 HydrophobicContact CG2-CD1 4.17Å; T477-L481 HydrophobicContact CG2-CG 4.33Å; T477-L481 WeakPolarHBondContact O-CG 3.44Å; T477-L481 PolarHBondContact O-N 2.77Å
478	A	98.6	Very high	98.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.6	-52.2	-178.2	0	0	0	0	0	112.3	I355 M365 K474 V475 T480 L481 K482	I355-A478 HydrophobicContact CD1-CB 4.09Å; I355-A478 HydrophobicContact CG1-CB 4.03Å; I355-A478 HydrophobicContact CG2-CB 3.9Å; M365-A478 HydrophobicContact SD-CB 4.04Å; K474-A478 WeakPolarHBondContact O-CB 3.33Å; K474-A478 PolarHBondContact O-N 3.44Å; V475-A478 PolarHBondContact O-N 3.43Å; A478-T480 VanDerWaalsContact C-N 3.29Å; A478-T480 PolarHBondContact O-N 2.92Å; A478-L481 PolarHBondContact O-N 3.44Å; A478-K482 WeakPolarHBondContact O-CB 3.19Å; A478-K482 PolarHBondContact O-N 3.18Å
479	L	98.3	Very high	98	Very high	11 Å²	11	19.4 Å²	19.4	6%	0.058	9%	0.091	C	C	.	.	H	α-helix	trans	-66.7	-32.8	-179.4	-63.3	179.4	0	0	0	112.3	A170 L174 L359 V475 R483	A170-L479 HydrophobicContact CB-CD1 4.01Å; L174-L479 HydrophobicContact CD1-CB 3.82Å; L359-L479 HydrophobicContact CD1-CD2 4.44Å; V475-L479 HydrophobicContact CG1-CD1 3.9Å; V475-L479 HydrophobicContact CG1-CG 4.48Å; V475-L479 WeakPolarHBondContact O-CG 3.35Å; V475-L479 PolarHBondContact O-N 2.86Å; L479-R483 PolarHBondContact O-N 3.23Å
480	T	98.5	Very high	97.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65.4	-50.9	174.8	-58.3	0	0	0	0	111.1	L174 W177 L338 V476 T477 A478 K482 R483 Y484 L486	L174-T480 HydrophobicContact CD2-CG2 4.2Å; W177-T480 HydrophobicContact CZ3-CG2 3.84Å; L338-T480 HydrophobicContact CD1-CG2 4.24Å; L338-T480 HydrophobicContact CD2-CG2 3.84Å; V476-T480 WeakPolarHBondContact O-CB 3.41Å; V476-T480 PolarHBondContact O-N 2.84Å; V476-T480 PolarHBondContact O-OG1 3.18Å; T477-T480 PolarHBondContact O-N 3.36Å; A478-T480 VanDerWaalsContact C-N 3.29Å; A478-T480 PolarHBondContact O-N 2.92Å; T480-K482 VanDerWaalsContact C-N 3.35Å; T480-K482 PolarHBondContact O-N 3.42Å; T480-R483 PolarHBondContact O-N 3.37Å; T480-Y484 PolarHBondContact O-N 2.66Å; T480-L486 HydrophobicContact CG2-CD1 4.32Å; T480-L486 HydrophobicContact CG2-CD2 3.87Å
481	L	98.3	Very high	97.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-70.3	-28.3	-177.8	-66.5	-171	0	0	0	113.7	L341 Q348 C351 R352 I355 T477 A478 R483 L486	L341-L481 HydrophobicContact CD1-CD1 4.01Å; L341-L481 HydrophobicContact CD1-CD2 4.38Å; L341-L481 HydrophobicContact CD1-CG 4.48Å; Q348-L481 HydrophobicContact CG-CD1 4.46Å; Q348-L481 HydrophobicContact CG-CD2 3.61Å; C351-L481 HydrophobicContact CB-CD1 3.5Å; R352-L481 PolarHBondContact NE-O 2.82Å; R352-L481 VanDerWaalsContact NE-O 3.11Å; I355-L481 HydrophobicContact CD1-CB 4.04Å; I355-L481 HydrophobicContact CD1-CD1 3.92Å; I355-L481 HydrophobicContact CD1-CG 4.5Å; T477-L481 HydrophobicContact CG2-CD1 4.17Å; T477-L481 HydrophobicContact CG2-CG 4.33Å; T477-L481 WeakPolarHBondContact O-CG 3.44Å; T477-L481 PolarHBondContact O-N 2.77Å; A478-L481 PolarHBondContact O-N 3.44Å; L481-R483 VanDerWaalsContact C-N 3.32Å; L481-L486 HydrophobicContact CD2-CD1 3.73Å; L481-L486 HydrophobicContact CD2-CG 4.01Å
482	K	96.3	Very high	97.4	Very high	48 Å²	48	30.2 Å²	30.2	21%	0.209	15%	0.152	C	C	.	.	H	α-helix	trans	-63.3	-40.2	171.6	-177.1	-172.9	175.8	-162.9	0	110.9	I355 L359 G361 K362 D363 A478 T480	I355-K482 HydrophobicContact CG2-CB 4.43Å; L359-K482 HydrophobicContact CD1-CD 4Å; G361-K482 PolarHBondContact O-NZ 2.86Å; G361-K482 VanDerWaalsContact O-NZ 3.09Å; K362-K482 VanDerWaalsContact C-NZ 3.3Å; K362-K482 PolarHBondContact O-NZ 3.46Å; D363-K482 IonicContact OD1-NZ 3.86Å; D363-K482 PolarHBondContact OD1-NZ 2.87Å; A478-K482 WeakPolarHBondContact O-CB 3.19Å; A478-K482 PolarHBondContact O-N 3.18Å; T480-K482 VanDerWaalsContact C-N 3.35Å; T480-K482 PolarHBondContact O-N 3.42Å
483	R	96.1	Very high	97.2	Very high	73 Å²	73	35.6 Å²	35.6	28%	0.275	18%	0.176	S	C	.	.	H	α-helix	trans	-91.6	-34.2	-173.3	-167.2	174.5	-178.6	165.8	0.4	113.7	D175 E178 L479 T480 L481 V515	D175-R483 IonicContact OD1-CZ 3.45Å; D175-R483 VanDerWaalsContact OD1-CZ 3.26Å; D175-R483 IonicContact OD1-NH1 2.91Å; D175-R483 PolarHBondContact OD1-NH1 3.29Å; D175-R483 IonicContact OD1-NH2 3.26Å; D175-R483 PolarHBondContact OD1-NH2 2.85Å; E178-R483 IonicContact OE2-NH2 3.54Å; L479-R483 PolarHBondContact O-N 3.23Å; T480-R483 PolarHBondContact O-N 3.37Å; L481-R483 VanDerWaalsContact C-N 3.32Å; R483-V515 PolarHBondContact O-N 3.09Å
484	Y	97.4	Very high	97.1	Very high	5 Å²	5	36.4 Å²	36.4	2%	0.02	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	139.8	-171.8	-59.1	-64.2	0	0	0	112.5	L174 W177 E178 A181 T480 I512 K513	L174-Y484 HydrophobicContact CB-CE2 4.2Å; L174-Y484 HydrophobicContact CD2-CD2 3.87Å; L174-Y484 HydrophobicContact CD2-CE2 3.78Å; L174-Y484 PolarHBondContact O-OH 2.86Å; W177-Y484 HydrophobicContact CB-CE2 3.9Å; W177-Y484 HydrophobicContact CE3-CD2 4.16Å; W177-Y484 HydrophobicContact CE3-CE2 4.3Å; E178-Y484 WeakPolarHBondContact CA-OH 3.49Å; E178-Y484 PolarHBondContact N-OH 3.5Å; A181-Y484 HydrophobicContact CB-CD1 4.35Å; A181-Y484 HydrophobicContact CB-CE1 3.87Å; T480-Y484 PolarHBondContact O-N 2.66Å; Y484-I512 HydrophobicContact CD1-CB 4.48Å; Y484-I512 HydrophobicContact CD1-CD1 4.06Å; Y484-I512 HydrophobicContact CD2-CD1 4.36Å; Y484-I512 HydrophobicContact CE1-CD1 4.17Å; Y484-I512 HydrophobicContact CE2-CD1 4.43Å; Y484-I512 HydrophobicContact CG-CB 4.42Å; Y484-I512 HydrophobicContact CG-CD1 4.18Å; Y484-K513 CarbonylContact C-O 3.47Å; Y484-K513 VanDerWaalsContact CA-O 3.27Å; Y484-K513 WeakPolarHBondContact CA-O 3.21Å
485	E	97.4	Very high	97	Very high	70 Å²	70	41.1 Å²	41.1	33%	0.327	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	126.4	157.3	-177.7	-178.5	-171.4	0	0	108.6	I487 I512 K513	E485-I487 HydrophobicContact CG-CG1 4.43Å; E485-I512 CarbonylContact O-C 3.52Å; E485-I512 VanDerWaalsContact O-CA 3.26Å; E485-I512 WeakPolarHBondContact O-CA 3.32Å; E485-K513 HydrophobicContact CB-CB 4.36Å; E485-K513 PolarHBondContact N-O 2.98Å; E485-K513 PolarHBondContact O-N 3.38Å
486	L	98.2	Very high	96.9	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	135.2	179.5	-47.4	-178.5	0	0	0	109.5	L338 A342 Q348 T480 L481 I510 I512	L338-L486 HydrophobicContact CB-CD1 3.99Å; L338-L486 HydrophobicContact CD2-CD1 3.86Å; L338-L486 HydrophobicContact CG-CD1 4.46Å; A342-L486 HydrophobicContact CB-CB 3.82Å; Q348-L486 PolarHBondContact NE2-O 2.88Å; T480-L486 HydrophobicContact CG2-CD1 4.32Å; T480-L486 HydrophobicContact CG2-CD2 3.87Å; L481-L486 HydrophobicContact CD2-CD1 3.73Å; L481-L486 HydrophobicContact CD2-CG 4.01Å; L486-I510 HydrophobicContact CB-CD1 4.45Å; L486-I510 HydrophobicContact CD2-CD1 3.99Å; L486-I512 HydrophobicContact CD2-CG2 3.67Å
487	I	97.6	Very high	96.7	Very high	68 Å²	68	42.4 Å²	42.4	35%	0.349	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127.2	-174.1	-58.4	165.6	0	0	0	108.2	E485 K511 K513	E485-I487 HydrophobicContact CG-CG1 4.43Å; I487-K511 HydrophobicContact CB-CB 4.03Å; I487-K511 HydrophobicContact CG2-CB 4.42Å; I487-K511 PolarHBondContact N-O 3.06Å; I487-K511 PolarHBondContact O-N 3.48Å; I487-K513 HydrophobicContact CD1-CB 4.37Å
488	E	97	Very high	96.3	Very high	51 Å²	51	43.8 Å²	43.8	24%	0.238	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	141.7	176	-174.6	-175.9	175.5	0	0	111.1	A342 P490 K493	A342-E488 PolarHBondContact O-N 2.94Å; E488-P490 WeakPolarHBondContact O-CD 3.32Å; E488-K493 WeakPolarHBondContact OE1-CE 3.37Å; E488-K493 IonicContact OE1-NZ 3.46Å; E488-K493 PolarHBondContact OE1-NZ 2.75Å
489	D	96	Very high	96	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.027	23%	0.225	C	C	.	.			trans	-101.3	97.2	164.9	-173.7	7.3	0	0	0	110.1	S186 D491 N492	S186-D489 WeakPolarHBondContact CB-OD2 3.43Å; S186-D489 PolarHBondContact OG-OD2 3.31Å; D489-D491 PolarHBondContact O-N 2.92Å; D489-N492 HydrophobicContact CB-CB 4.45Å; D489-N492 CarbonylContact O-C 3.56Å; D489-N492 PolarHBondContact O-N 3.14Å; D489-N492 VanDerWaalsContact O-N 3.08Å; D489-N492 WeakPolarHBondContact OD2-CB 3.25Å; D489-N492 PolarHBondContact OD2-ND2 2.93Å
490	P	93.8	Very high	95.8	Very high	77 Å²	77	47.4 Å²	47.4	50%	0.5	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-65.6	-22.3	-172.1	27.2	-35.4	0	0	0	113.3	E488 N492	E488-P490 WeakPolarHBondContact O-CD 3.32Å; P490-N492 VanDerWaalsContact C-N 3.34Å
491	D	94.3	Very high	95.7	Very high	143 Å²	143	47.5 Å²	47.5	77%	0.765	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-79.4	-19.6	179.1	-63.4	-40.8	0	0	0	112.1	D489	D489-D491 PolarHBondContact O-N 2.92Å
492	N	94.4	Very high	95.6	Very high	62 Å²	62	47.5 Å²	47.5	33%	0.332	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-123.2	43.7	-174.7	-68.2	-70	0	0	0	113.2	D489 P490 H509	D489-N492 HydrophobicContact CB-CB 4.45Å; D489-N492 CarbonylContact O-C 3.56Å; D489-N492 PolarHBondContact O-N 3.14Å; D489-N492 VanDerWaalsContact O-N 3.08Å; D489-N492 WeakPolarHBondContact OD2-CB 3.25Å; D489-N492 PolarHBondContact OD2-ND2 2.93Å; P490-N492 VanDerWaalsContact C-N 3.34Å; N492-H509 HydrophobicContact CB-CB 3.68Å
493	K	95.9	Very high	95.6	Very high	113 Å²	113	46.1 Å²	46.1	49%	0.491	23%	0.227	S	C	.	.			trans	-56.3	135.9	175.6	-67.2	-173.4	-178.6	-156.5	0	112	E488 K495 N506	E488-K493 WeakPolarHBondContact OE1-CE 3.37Å; E488-K493 IonicContact OE1-NZ 3.46Å; E488-K493 PolarHBondContact OE1-NZ 2.75Å; K493-K495 PolarHBondContact O-N 2.93Å; K493-N506 PolarHBondContact O-ND2 2.8Å; K493-N506 PolarHBondContact O-OD1 3.26Å
494	P	96.9	Very high	95.7	Very high	21 Å²	21	43.4 Å²	43.4	14%	0.136	22%	0.22	C	C	.	.			trans	-60.2	128	179.8	-26	35	0	0	0	113.2	F336 Y339 I496 S504 I508	F336-P494 HydrophobicContact CE1-CB 4.23Å; Y339-P494 HydrophobicContact CD1-CG 4.31Å; Y339-P494 HydrophobicContact CD2-CG 3.75Å; Y339-P494 HydrophobicContact CE1-CG 4.18Å; Y339-P494 HydrophobicContact CE2-CG 3.58Å; Y339-P494 HydrophobicContact CG-CG 4.11Å; Y339-P494 WeakPolarHBondContact OH-CD 3.47Å; P494-I496 PolarHBondContact O-N 2.86Å; P494-S504 VanDerWaalsContact CA-OG 3.31Å; P494-S504 WeakPolarHBondContact CA-OG 3.5Å; P494-I508 HydrophobicContact CB-CG1 4.26Å; P494-I508 HydrophobicContact CG-CB 4.47Å; P494-I508 HydrophobicContact CG-CG1 4.13Å; P494-I508 HydrophobicContact CG-CG2 4.16Å
495	K	96.4	Very high	95.5	Very high	114 Å²	114	47 Å²	47	50%	0.496	24%	0.239	S	C	.	.			trans	-94.3	90.6	172.8	-69.9	-178.5	-176.5	178.5	0	109.8	K493 S504 L505 N506	K493-K495 PolarHBondContact O-N 2.93Å; K495-S504 PolarHBondContact N-OG 3.47Å; K495-S504 CarbonylContact O-C 3.58Å; K495-S504 WeakPolarHBondContact O-CA 3.3Å; K495-L505 HydrophobicContact CB-CB 4.05Å; K495-L505 HydrophobicContact CB-CD1 4.42Å; K495-L505 PolarHBondContact O-N 2.93Å; K495-N506 WeakPolarHBondContact CB-OD1 3.47Å; K495-N506 PolarHBondContact N-OD1 3.24Å
496	I	95.9	Very high	95.4	Very high	24 Å²	24	45.8 Å²	45.8	12%	0.123	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	134.4	-170.6	59.8	171.7	0	0	0	113.7	G72 F75 F336 Y387 F420 P494 L502 R503	G72-I496 WeakPolarHBondContact CA-O 3.33Å; F75-I496 HydrophobicContact CB-CD1 3.75Å; F75-I496 HydrophobicContact CB-CG1 4.4Å; F75-I496 HydrophobicContact CD2-CB 4.42Å; F75-I496 HydrophobicContact CD2-CD1 3.78Å; F75-I496 HydrophobicContact CD2-CG1 4Å; F75-I496 HydrophobicContact CG-CD1 4.1Å; F336-I496 HydrophobicContact CE1-CG2 3.92Å; F336-I496 HydrophobicContact CZ-CG2 3.87Å; Y387-I496 HydrophobicContact CD1-CG2 4.31Å; Y387-I496 HydrophobicContact CE1-CG2 4.18Å; F420-I496 HydrophobicContact CE2-CD1 4.04Å; F420-I496 HydrophobicContact CZ-CD1 3.79Å; P494-I496 PolarHBondContact O-N 2.86Å; I496-L502 HydrophobicContact CB-CD1 4.16Å; I496-R503 CarbonylContact C-O 3.32Å; I496-R503 VanDerWaalsContact CA-O 3.29Å; I496-R503 WeakPolarHBondContact CA-O 3.38Å
497	I	94.8	Very high	95.3	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	139.4	-179.5	-168.6	169.8	0	0	0	111.8	Q70 R499 R503 L505	Q70-I497 HydrophobicContact CB-CD1 3.94Å; I497-R499 HydrophobicContact CG2-CG 4.3Å; I497-R503 HydrophobicContact CG2-CB 4.1Å; I497-R503 PolarHBondContact N-O 2.89Å; I497-R503 PolarHBondContact O-N 2.95Å; I497-L505 HydrophobicContact CB-CD2 4.42Å; I497-L505 HydrophobicContact CB-CG 4.08Å; I497-L505 HydrophobicContact CD1-CD1 4.27Å; I497-L505 HydrophobicContact CD1-CD2 3.48Å; I497-L505 VanDerWaalsContact CD1-CD2 3.48Å; I497-L505 HydrophobicContact CD1-CG 3.93Å; I497-L505 HydrophobicContact CG2-CD2 4.13Å; I497-L505 HydrophobicContact CG2-CG 3.97Å
498	P	91.1	Very high	95.4	Very high	29 Å²	29	43.1 Å²	43.1	19%	0.188	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	120.8	174.1	28.7	-30.9	0	0	0	111.7	F75 N233 P391	F75-P498 HydrophobicContact CE2-CB 4.04Å; F75-P498 HydrophobicContact CE2-CG 4.09Å; F75-P498 HydrophobicContact CZ-CB 3.8Å; F75-P498 HydrophobicContact CZ-CG 4.07Å; N233-P498 PolarHBondContact ND2-O 3.31Å; N233-P498 VanDerWaalsContact ND2-O 3.07Å; P391-P498 HydrophobicContact CG-CB 4.44Å
499	R	92.2	Very high	95.4	Very high	40 Å²	40	42.7 Å²	42.7	15%	0.151	22%	0.222	C	C	.	.	S	Bend	trans	-134.1	62.3	172.3	-64.8	-59.9	-165.1	-146.9	-7.6	109.8	T229 N230 N233 I497 V501 R503	T229-R499 WeakPolarHBondContact CB-O 3.44Å; N230-R499 WeakPolarHBondContact OD1-CD 3.39Å; N230-R499 WeakPolarHBondContact OD1-CG 3.28Å; N230-R499 PolarHBondContact OD1-NE 3.34Å; N233-R499 PolarHBondContact OD1-NH1 2.84Å; I497-R499 HydrophobicContact CG2-CG 4.3Å; R499-V501 CarbonylContact C-O 3.58Å; R499-V501 PolarHBondContact N-O 3.36Å; R499-V501 PolarHBondContact O-N 2.87Å; R499-R503 HydrophobicContact CB-CG 4.28Å
500	L	93.3	Very high	95.5	Very high	47 Å²	47	42.4 Å²	42.4	25%	0.246	22%	0.221	C	C	.	.	S	Bend	trans	63.8	-55.4	-162	-57.2	-179	0	0	0	112.5	I127 T229 I232 F324	I127-L500 HydrophobicContact CD1-CD1 4.4Å; I127-L500 HydrophobicContact CD1-CD2 3.98Å; I127-L500 HydrophobicContact CG1-CD1 4.3Å; I127-L500 HydrophobicContact CG1-CD2 4.34Å; T229-L500 HydrophobicContact CG2-CB 4.37Å; T229-L500 HydrophobicContact CG2-CD1 3.83Å; T229-L500 HydrophobicContact CG2-CG 4.31Å; I232-L500 HydrophobicContact CD1-CD1 4.13Å; I232-L500 HydrophobicContact CG2-CD1 4.31Å; I232-L500 HydrophobicContact CG2-CD2 3.96Å; I232-L500 HydrophobicContact CG2-CG 4.47Å; F324-L500 HydrophobicContact CZ-CB 4.35Å; F324-L500 HydrophobicContact CZ-CD1 4.06Å
501	V	96.6	Very high	95.6	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	21%	0.212	C	C	.	.	S	Bend	trans	-94.6	164.1	164.8	-55.7	0	0	0	0	111.4	D328 T329 P389 R499 R503	D328-V501 HydrophobicContact CB-CG1 4.45Å; D328-V501 WeakPolarHBondContact OD2-CG2 3.44Å; T329-V501 HydrophobicContact CG2-CG1 3.92Å; P389-V501 CarbonylContact O-C 3.52Å; P389-V501 WeakPolarHBondContact O-CA 3.41Å; P389-V501 WeakPolarHBondContact O-CB 3.49Å; R499-V501 CarbonylContact C-O 3.58Å; R499-V501 PolarHBondContact N-O 3.36Å; R499-V501 PolarHBondContact O-N 2.87Å; V501-R503 HydrophobicContact CG2-CG 3.94Å
502	L	97.1	Very high	95.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	123.3	173.8	-171.3	67.3	0	0	0	109.9	F75 S332 F336 Y387 P388 P389 I496	F75-L502 HydrophobicContact CD2-CD1 4.04Å; F75-L502 HydrophobicContact CE2-CD1 3.39Å; F75-L502 HydrophobicContact CZ-CD1 4.05Å; S332-L502 WeakPolarHBondContact CB-O 3.38Å; S332-L502 PolarHBondContact OG-O 3.03Å; F336-L502 HydrophobicContact CD2-CD2 4.1Å; F336-L502 HydrophobicContact CD2-CG 4.47Å; F336-L502 HydrophobicContact CE2-CB 4.27Å; F336-L502 HydrophobicContact CE2-CD2 3.75Å; F336-L502 HydrophobicContact CE2-CG 3.71Å; F336-L502 HydrophobicContact CZ-CD2 4.12Å; F336-L502 HydrophobicContact CZ-CG 4.09Å; Y387-L502 HydrophobicContact CD1-CD2 4.12Å; Y387-L502 HydrophobicContact CG-CD2 4.47Å; P388-L502 WeakPolarHBondContact O-CB 3.34Å; P389-L502 PolarHBondContact O-N 2.98Å; I496-L502 HydrophobicContact CB-CD1 4.16Å
503	R	95.9	Very high	95.8	Very high	18 Å²	18	37.5 Å²	37.5	7%	0.068	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	178.5	178.7	-62.1	-174.3	-179.3	-104.1	-0.7	110.8	F190 D328 I496 I497 R499 V501	F190-R503 HydrophobicContact CZ-CG 4.23Å; D328-R503 IonicContact OD1-CZ 2.73Å; D328-R503 IonicContact OD1-NH2 3.19Å; D328-R503 PolarHBondContact OD1-NH2 3.19Å; D328-R503 IonicContact OD2-CZ 3.8Å; D328-R503 IonicContact OD2-NH2 2.73Å; D328-R503 PolarHBondContact OD2-NH2 2.97Å; I496-R503 CarbonylContact C-O 3.32Å; I496-R503 VanDerWaalsContact CA-O 3.29Å; I496-R503 WeakPolarHBondContact CA-O 3.38Å; I497-R503 HydrophobicContact CG2-CB 4.1Å; I497-R503 PolarHBondContact N-O 2.89Å; I497-R503 PolarHBondContact O-N 2.95Å; R499-R503 HydrophobicContact CB-CG 4.28Å; V501-R503 HydrophobicContact CG2-CG 3.94Å
504	S	96.7	Very high	95.7	Very high	17 Å²	17	35 Å²	35	12%	0.119	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	136	169.6	-178.4	0	0	0	0	110.8	P494 K495 N506 G507	P494-S504 VanDerWaalsContact CA-OG 3.31Å; P494-S504 WeakPolarHBondContact CA-OG 3.5Å; K495-S504 PolarHBondContact N-OG 3.47Å; K495-S504 CarbonylContact O-C 3.58Å; K495-S504 WeakPolarHBondContact O-CA 3.3Å; S504-N506 VanDerWaalsContact C-N 3.33Å; S504-N506 PolarHBondContact OG-OD1 2.92Å; S504-G507 WeakPolarHBondContact CB-O 3.41Å; S504-G507 PolarHBondContact O-N 3.37Å; S504-G507 PolarHBondContact OG-O 3.35Å
505	L	95	Very high	95.5	Very high	80 Å²	80	36.2 Å²	36.2	42%	0.419	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-37.4	177	-77.9	171	0	0	0	112.9	Q70 G72 K495 I497	Q70-L505 VanDerWaalsContact O-CD1 3.25Å; Q70-L505 WeakPolarHBondContact O-CD1 3.48Å; G72-L505 VanDerWaalsContact N-CD1 3.33Å; K495-L505 HydrophobicContact CB-CB 4.05Å; K495-L505 HydrophobicContact CB-CD1 4.42Å; K495-L505 PolarHBondContact O-N 2.93Å; I497-L505 HydrophobicContact CB-CD2 4.42Å; I497-L505 HydrophobicContact CB-CG 4.08Å; I497-L505 HydrophobicContact CD1-CD1 4.27Å; I497-L505 HydrophobicContact CD1-CD2 3.48Å; I497-L505 VanDerWaalsContact CD1-CD2 3.48Å; I497-L505 HydrophobicContact CD1-CG 3.93Å; I497-L505 HydrophobicContact CG2-CD2 4.13Å; I497-L505 HydrophobicContact CG2-CG 3.97Å
506	N	95.3	Very high	94.6	Very high	45 Å²	45	38.3 Å²	38.3	24%	0.241	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	22.3	178.9	61.8	-35.8	0	0	0	111.7	K493 K495 S504 H509	K493-N506 PolarHBondContact O-ND2 2.8Å; K493-N506 PolarHBondContact O-OD1 3.26Å; K495-N506 WeakPolarHBondContact CB-OD1 3.47Å; K495-N506 PolarHBondContact N-OD1 3.24Å; S504-N506 VanDerWaalsContact C-N 3.33Å; S504-N506 PolarHBondContact OG-OD1 2.92Å; N506-H509 PolarHBondContact O-CE1 2.93Å; N506-H509 PolarHBondContact O-ND1 3.46Å
507	G	96.1	Very high	93	Very high	13 Å²	13	42.8 Å²	42.8	13%	0.134	23%	0.226	C	C	.	.			trans	65.3	-176.2	-173.7	0	0	0	0	0	113.2	E188 S504	E188-G507 WeakPolarHBondContact OE1-CA 3.48Å; S504-G507 WeakPolarHBondContact CB-O 3.41Å; S504-G507 PolarHBondContact O-N 3.37Å; S504-G507 PolarHBondContact OG-O 3.35Å
508	I	97.9	Very high	91.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.264	C	S	.	.			trans	-116.1	108.1	176.2	-59.5	-178.3	0	0	0	107.3	E188 L189 F190 F336 Y339 P494	E188-I508 WeakPolarHBondContact CA-O 3.45Å; E188-I508 PolarHBondContact OE1-N 2.99Å; L189-I508 HydrophobicContact CD2-CB 4.34Å; L189-I508 HydrophobicContact CD2-CG2 3.66Å; L189-I508 HydrophobicContact CG-CB 4.17Å; L189-I508 HydrophobicContact CG-CG2 4.02Å; L189-I508 WeakPolarHBondContact CG-O 3.39Å; L189-I508 PolarHBondContact N-O 2.91Å; F190-I508 HydrophobicContact CD2-CD1 4.11Å; F336-I508 HydrophobicContact CD1-CD1 3.96Å; F336-I508 HydrophobicContact CD2-CD1 4.08Å; F336-I508 HydrophobicContact CE1-CD1 3.77Å; F336-I508 HydrophobicContact CE2-CD1 3.88Å; F336-I508 HydrophobicContact CG-CD1 4.11Å; F336-I508 HydrophobicContact CZ-CD1 3.72Å; Y339-I508 HydrophobicContact CD2-CG2 4.14Å; Y339-I508 HydrophobicContact CG-CG2 4.22Å; P494-I508 HydrophobicContact CB-CG1 4.26Å; P494-I508 HydrophobicContact CG-CB 4.47Å; P494-I508 HydrophobicContact CG-CG1 4.13Å; P494-I508 HydrophobicContact CG-CG2 4.16Å
509	H	98	Very high	88.5	Confident	42 Å²	42	61.7 Å²	61.7	19%	0.194	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.7	-174.1	-72.7	82.2	0	0	0	110.6	F187 N492 N506	F187-H509 WeakPolarHBondContact O-CA 3.42Å; N492-H509 HydrophobicContact CB-CB 3.68Å; N506-H509 PolarHBondContact O-CE1 2.93Å; N506-H509 PolarHBondContact O-ND1 3.46Å
510	I	97.6	Very high	88.3	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	162.6	172.2	65.7	172.5	0	0	0	110	S186 F187 L189 A342 L486 I512	S186-I510 WeakPolarHBondContact CA-O 3.45Å; F187-I510 HydrophobicContact CE1-CG1 4.27Å; F187-I510 HydrophobicContact CZ-CG1 4.37Å; F187-I510 PolarHBondContact N-O 3.47Å; F187-I510 PolarHBondContact O-N 3.05Å; L189-I510 HydrophobicContact CD2-CB 4.32Å; L189-I510 HydrophobicContact CD2-CD1 3.61Å; L189-I510 HydrophobicContact CD2-CG1 3.64Å; L189-I510 HydrophobicContact CD2-CG2 3.83Å; A342-I510 HydrophobicContact CB-CG2 4.02Å; L486-I510 HydrophobicContact CB-CD1 4.45Å; L486-I510 HydrophobicContact CD2-CD1 3.99Å; I510-I512 HydrophobicContact CD1-CG2 3.98Å; I510-I512 HydrophobicContact CG1-CG2 4.34Å
511	K	97.3	Very high	88	Confident	72 Å²	72	63.6 Å²	63.6	31%	0.313	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	154.9	164.8	-65.2	170.9	-170.8	169.7	0	108.9	I487	I487-K511 HydrophobicContact CB-CB 4.03Å; I487-K511 HydrophobicContact CG2-CB 4.42Å; I487-K511 PolarHBondContact N-O 3.06Å; I487-K511 PolarHBondContact O-N 3.48Å
512	I	97	Very high	87.5	Confident	4 Å²	4	67 Å²	67	2%	0.021	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	151.2	176.5	62.3	175.6	0	0	0	111.4	W177 A181 F187 Y484 E485 L486 I510	W177-I512 HydrophobicContact CB-CD1 3.82Å; W177-I512 HydrophobicContact CE3-CD1 4.17Å; W177-I512 HydrophobicContact CG-CD1 4.42Å; A181-I512 HydrophobicContact CB-CD1 4.18Å; A181-I512 HydrophobicContact CB-CG1 4.14Å; F187-I512 HydrophobicContact CE1-CD1 3.83Å; F187-I512 HydrophobicContact CE1-CG1 3.92Å; F187-I512 HydrophobicContact CE1-CG2 3.91Å; F187-I512 HydrophobicContact CZ-CD1 4.22Å; F187-I512 HydrophobicContact CZ-CG2 4.34Å; Y484-I512 HydrophobicContact CD1-CB 4.48Å; Y484-I512 HydrophobicContact CD1-CD1 4.06Å; Y484-I512 HydrophobicContact CD2-CD1 4.36Å; Y484-I512 HydrophobicContact CE1-CD1 4.17Å; Y484-I512 HydrophobicContact CE2-CD1 4.43Å; Y484-I512 HydrophobicContact CG-CB 4.42Å; Y484-I512 HydrophobicContact CG-CD1 4.18Å; E485-I512 CarbonylContact O-C 3.52Å; E485-I512 VanDerWaalsContact O-CA 3.26Å; E485-I512 WeakPolarHBondContact O-CA 3.32Å; L486-I512 HydrophobicContact CD2-CG2 3.67Å; I510-I512 HydrophobicContact CD1-CG2 3.98Å; I510-I512 HydrophobicContact CG1-CG2 4.34Å
513	K	95	Very high	87	Confident	102 Å²	102	70.9 Å²	70.9	44%	0.443	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139	171.2	-177.8	-170.4	169.3	-163.9	0	109	Y484 E485 I487	Y484-K513 CarbonylContact C-O 3.47Å; Y484-K513 VanDerWaalsContact CA-O 3.27Å; Y484-K513 WeakPolarHBondContact CA-O 3.21Å; E485-K513 HydrophobicContact CB-CB 4.36Å; E485-K513 PolarHBondContact N-O 2.98Å; E485-K513 PolarHBondContact O-N 3.38Å; I487-K513 HydrophobicContact CD1-CB 4.37Å
514	P	94.4	Very high	86.4	Confident	61 Å²	61	74.3 Å²	74.3	40%	0.396	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	139.4	172.7	-20.9	34.2	0	0	0	111.1	A181	A181-P514 HydrophobicContact CB-CG 3.79Å
515	V	91.8	Very high	85.7	Confident	47 Å²	47	78.1 Å²	78.1	29%	0.285	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-79	127.8	166.9	-179.9	0	0	0	0	107.5	R483	R483-V515 PolarHBondContact O-N 3.09Å
516	E	77.5	Confident	85.1	Confident	157 Å²	157	77.9 Å²	77.9	73%	0.734	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-66.3	135.1	174.3	-70.2	177.6	-165.9	0	0	109	E518	E516-E518 PolarHBondContact O-N 3.12Å
517	P	62.3	Low	84.3	Confident	118 Å²	118	80.5 Å²	80.5	77%	0.766	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-57.3	128.5	172.5	-17.1	28.6	0	0	0	108.7	M519	P517-M519 PolarHBondContact O-N 2.84Å; P517-M519 VanDerWaalsContact O-N 3.1Å
518	E	56.2	Low	83.3	Confident	172 Å²	172	86.1 Å²	86.1	80%	0.804	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-57.1	118.3	167.2	-69.8	-178.3	166.8	0	0	107.6	E516	E516-E518 PolarHBondContact O-N 3.12Å
519	M	34.5	Very low	82	Confident	258 Å²	258	93.9 Å²	93.9	100%	1.271	48%	0.475	S	S	*	.			trans	-65.8	0	-178.9	-76.7	-169.8	-61.8	0	0	112.6	P517	P517-M519 PolarHBondContact O-N 2.84Å; P517-M519 VanDerWaalsContact O-N 3.1Å

Retrieved 519 of 519 residues in 209.4 ms (Link to these results)

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