A0A077Z1T7_TRITR Loading...

Aminotran 1 2 and zf-Tim10 DDP domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1T7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 499 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	57.8	Low	83.4	Confident	238 Å²	238	132.2 Å²	132.2	100%	1.172	70%	0.7	S	S	*	*				0	146.9	0	-71.1	176.9	-164	0	0	107.1	D3	M1-D3 PolarHBondContact O-N 3.11Å
2	S	70.1	Confident	83.1	Confident	88 Å²	88	125.9 Å²	125.9	62%	0.615	69%	0.691	S	S	*	*			trans	-56.5	132.6	176.2	162.9	0	0	0	0	110.7	V4	S2-V4 PolarHBondContact O-N 3.14Å; S2-V4 WeakPolarHBondContact OG-CB 3.4Å; S2-V4 PolarHBondContact OG-N 2.83Å; S2-V4 VanDerWaalsContact OG-N 3.08Å; S2-V4 PolarHBondContact OG-O 2.64Å
3	D	79.7	Confident	82.7	Confident	163 Å²	163	120.8 Å²	120.8	87%	0.872	66%	0.662	S	S	*	*	S	Bend	trans	-69.9	-13.1	172.2	-70.6	-31.3	0	0	0	112.6	M1 L5	M1-D3 PolarHBondContact O-N 3.11Å; D3-L5 PolarHBondContact O-N 3.29Å
4	V	85.1	Confident	82.3	Confident	122 Å²	122	122.1 Å²	122.1	74%	0.739	66%	0.662	S	S	*	*			trans	-82.9	109.3	174.8	-174.4	0	0	0	0	108.7	S2	S2-V4 PolarHBondContact O-N 3.14Å; S2-V4 WeakPolarHBondContact OG-CB 3.4Å; S2-V4 PolarHBondContact OG-N 2.83Å; S2-V4 VanDerWaalsContact OG-N 3.08Å; S2-V4 PolarHBondContact OG-O 2.64Å
5	L	86.8	Confident	81.9	Confident	147 Å²	147	126.3 Å²	126.3	77%	0.77	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-89.7	140.5	176.5	-65	173.6	0	0	0	111	D3	D3-L5 PolarHBondContact O-N 3.29Å
6	P	89.4	Confident	81.9	Confident	97 Å²	97	123.2 Å²	123.2	63%	0.63	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-68.4	165.4	174.1	30.6	-35.3	0	0	0	111.5
7	A	91.5	Very high	82	Confident	44 Å²	44	117.2 Å²	117.2	36%	0.364	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-64	139.4	174.5	0	0	0	0	0	111.4	R9 L10	A7-R9 HydrophobicContact CB-CG 4.17Å; A7-R9 PolarHBondContact O-N 3.05Å; A7-L10 PolarHBondContact O-N 3.46Å
8	N	91.3	Very high	82.1	Confident	149 Å²	149	113.3 Å²	113.3	80%	0.797	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-54.3	-28.3	-179.2	-71.5	-20.6	0	0	0	114.1	L10 K11	N8-L10 PolarHBondContact O-N 2.86Å; N8-L10 VanDerWaalsContact O-N 3.16Å; N8-K11 WeakPolarHBondContact O-CB 3.41Å; N8-K11 PolarHBondContact O-N 3.28Å
9	R	91.6	Very high	82.3	Confident	154 Å²	154	113.1 Å²	113.1	58%	0.581	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-64.5	-14.3	178.2	74.4	178	78.8	114.1	-2.2	114.5	A7 M135	A7-R9 HydrophobicContact CB-CG 4.17Å; A7-R9 PolarHBondContact O-N 3.05Å; R9-M135 HydrophobicContact CB-CG 4.27Å; R9-M135 HydrophobicContact CG-CE 4.49Å; R9-M135 HydrophobicContact CG-CG 4.2Å; R9-M135 WeakPolarHBondContact O-CG 3.45Å
10	L	89.3	Confident	82.5	Confident	78 Å²	78	110.9 Å²	110.9	41%	0.408	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-96.4	-8.3	179.1	-61	-179.9	0	0	0	113.1	A7 N8 G12 N13 M135	A7-L10 PolarHBondContact O-N 3.46Å; N8-L10 PolarHBondContact O-N 2.86Å; N8-L10 VanDerWaalsContact O-N 3.16Å; L10-G12 PolarHBondContact O-N 3.16Å; L10-N13 PolarHBondContact O-N 3.02Å; L10-M135 HydrophobicContact CD2-CE 3.74Å; L10-M135 HydrophobicContact CD2-SD 4.45Å
11	K	85	Confident	82.7	Confident	174 Å²	174	105.9 Å²	105.9	76%	0.757	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	128.6	-177.4	-173.6	177.3	-179.1	-179.5	0	110.4	N8	N8-K11 WeakPolarHBondContact O-CB 3.41Å; N8-K11 PolarHBondContact O-N 3.28Å
12	G	79.5	Confident	84	Confident	57 Å²	57	96.5 Å²	96.5	59%	0.588	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	-0.6	-179.6	0	0	0	0	0	114.8	L10 E14	L10-G12 PolarHBondContact O-N 3.16Å; G12-E14 WeakPolarHBondContact CA-OE2 3.41Å; G12-E14 PolarHBondContact N-OE1 3.25Å; G12-E14 PolarHBondContact N-OE2 3.1Å
13	N	78	Confident	84.8	Confident	59 Å²	59	94 Å²	94	32%	0.316	51%	0.508	S	S	.	.			trans	-102.9	20.3	177.1	-70.2	-31	0	0	0	112.3	L10 P131	L10-N13 PolarHBondContact O-N 3.02Å; N13-P131 WeakPolarHBondContact OD1-CB 3.34Å
14	E	77.2	Confident	85.1	Confident	140 Å²	140	87.6 Å²	87.6	65%	0.654	47%	0.474	S	S	*	.			trans	-76.2	-32.6	-176.2	-55.5	84.3	178.6	0	0	112.5	G12	G12-E14 WeakPolarHBondContact CA-OE2 3.41Å; G12-E14 PolarHBondContact N-OE1 3.25Å; G12-E14 PolarHBondContact N-OE2 3.1Å
15	E	76.5	Confident	85.1	Confident	185 Å²	185	82.5 Å²	82.5	86%	0.864	44%	0.443	S	S	*	.			trans	-94.1	133.6	-177.2	-65.8	-178	174.6	0	0	111
16	N	81	Confident	85	Confident	76 Å²	76	82.3 Å²	82.3	41%	0.406	44%	0.44	S	S	.	.			trans	-130.9	115.1	178.1	-173.9	-45.3	0	0	0	109.4	W18 V19 E20	N16-W18 PolarHBondContact O-N 3.46Å; N16-W18 VanDerWaalsContact O-N 3.15Å; N16-W18 WeakPolarHBondContact OD1-CA 3.39Å; N16-W18 WeakPolarHBondContact OD1-CB 3.47Å; N16-W18 PolarHBondContact OD1-N 2.87Å; N16-V19 HydrophobicContact CB-CB 4.42Å; N16-V19 HydrophobicContact CB-CG2 3.95Å; N16-V19 WeakPolarHBondContact O-CB 3.28Å; N16-V19 PolarHBondContact O-N 2.72Å; N16-E20 PolarHBondContact O-N 3.23Å
17	V	83.7	Confident	84.8	Confident	21 Å²	21	85.2 Å²	85.2	13%	0.127	44%	0.443	C	S	.	.	H	α-helix	trans	-54	-36	-178.3	69.8	0	0	0	0	112.6	V19 E20 F21 Y362 A385	V17-V19 VanDerWaalsContact C-N 3.35Å; V17-V19 PolarHBondContact O-N 3.35Å; V17-E20 PolarHBondContact O-N 2.89Å; V17-F21 HydrophobicContact CG2-CD2 3.57Å; V17-F21 HydrophobicContact CG2-CE2 3.49Å; V17-F21 VanDerWaalsContact CG2-CE2 3.49Å; V17-F21 VanDerWaalsContact O-CD2 3.25Å; V17-F21 WeakPolarHBondContact O-CD2 3.37Å; V17-F21 PolarHBondContact O-N 3.38Å; V17-Y362 HydrophobicContact CG2-CE1 4.4Å; V17-Y362 WeakPolarHBondContact CG2-OH 3.43Å; V17-A385 HydrophobicContact CB-CB 4.48Å; V17-A385 HydrophobicContact CG1-CB 4.44Å; V17-A385 HydrophobicContact CG2-CB 3.76Å
18	W	84.8	Confident	84.5	Confident	48 Å²	48	84.5 Å²	84.5	18%	0.182	43%	0.432	C	S	.	.	H	α-helix	trans	-66.8	-36.2	179.4	-54.9	106.6	0	0	0	112.2	N16 V22 F126 D127 I381 F386	N16-W18 PolarHBondContact O-N 3.46Å; N16-W18 VanDerWaalsContact O-N 3.15Å; N16-W18 WeakPolarHBondContact OD1-CA 3.39Å; N16-W18 WeakPolarHBondContact OD1-CB 3.47Å; N16-W18 PolarHBondContact OD1-N 2.87Å; W18-V22 WeakPolarHBondContact O-CB 3.41Å; W18-V22 WeakPolarHBondContact O-CG2 3.36Å; W18-V22 PolarHBondContact O-N 3.11Å; W18-F126 HydrophobicContact CZ2-CE2 4.25Å; W18-D127 WeakPolarHBondContact CZ2-OD1 3.14Å; W18-D127 PolarHBondContact NE1-OD1 2.81Å; W18-D127 PolarHBondContact NE1-OD2 2.92Å; W18-I381 HydrophobicContact CE3-CD1 4.01Å; W18-I381 HydrophobicContact CH2-CG1 4.43Å; W18-I381 HydrophobicContact CH2-CG2 4.46Å; W18-I381 HydrophobicContact CZ3-CD1 3.61Å; W18-I381 HydrophobicContact CZ3-CG1 3.83Å; W18-I381 HydrophobicContact CZ3-CG2 4.47Å; W18-F386 HydrophobicContact CH2-CE1 4.27Å; W18-F386 AromaticContact CH2-CZ 3.94Å; W18-F386 HydrophobicContact CH2-CZ 3.94Å; W18-F386 HydrophobicContact CZ2-CE1 4.07Å; W18-F386 HydrophobicContact CZ2-CZ 4.19Å
19	V	85.8	Confident	84.1	Confident	109 Å²	109	85.7 Å²	85.7	66%	0.661	43%	0.433	S	S	*	.	H	α-helix	trans	-66.2	-42.4	-179.6	175	0	0	0	0	110.4	N16 V17 G23	N16-V19 HydrophobicContact CB-CB 4.42Å; N16-V19 HydrophobicContact CB-CG2 3.95Å; N16-V19 WeakPolarHBondContact O-CB 3.28Å; N16-V19 PolarHBondContact O-N 2.72Å; V17-V19 VanDerWaalsContact C-N 3.35Å; V17-V19 PolarHBondContact O-N 3.35Å; V19-G23 PolarHBondContact O-N 2.8Å; V19-G23 VanDerWaalsContact O-N 3.09Å
20	E	86.9	Confident	83.7	Confident	68 Å²	68	79 Å²	79	32%	0.318	41%	0.41	S	S	.	.	H	α-helix	trans	-63.6	-57.1	179.3	-172.4	-170	155	0	0	111.7	N16 V17 V22 G23 L24 R366	N16-E20 PolarHBondContact O-N 3.23Å; V17-E20 PolarHBondContact O-N 2.89Å; E20-V22 VanDerWaalsContact C-N 3.34Å; E20-V22 PolarHBondContact O-N 3.35Å; E20-G23 WeakPolarHBondContact O-CA 3.4Å; E20-G23 PolarHBondContact O-N 2.71Å; E20-G23 VanDerWaalsContact O-N 3.1Å; E20-L24 HydrophobicContact CG-CD1 4.23Å; E20-L24 PolarHBondContact O-N 3.24Å; E20-R366 IonicContact OE1-CZ 2.95Å; E20-R366 IonicContact OE1-NE 3.4Å; E20-R366 PolarHBondContact OE1-NE 3.03Å; E20-R366 IonicContact OE1-NH2 3.74Å; E20-R366 PolarHBondContact OE1-NH2 3.38Å; E20-R366 IonicContact OE2-NH2 3.58Å
21	F	86.4	Confident	83.3	Confident	7 Å²	7	79.5 Å²	79.5	3%	0.031	41%	0.413	C	S	.	.	H	α-helix	trans	-69.9	-30.9	-173.4	-71.2	-67	0	0	0	112.8	V17 L24 V25 Y362 V365 R366 I381 P382	V17-F21 HydrophobicContact CG2-CD2 3.57Å; V17-F21 HydrophobicContact CG2-CE2 3.49Å; V17-F21 VanDerWaalsContact CG2-CE2 3.49Å; V17-F21 VanDerWaalsContact O-CD2 3.25Å; V17-F21 WeakPolarHBondContact O-CD2 3.37Å; V17-F21 PolarHBondContact O-N 3.38Å; F21-L24 HydrophobicContact CD1-CD1 3.77Å; F21-L24 HydrophobicContact CE1-CD1 4.02Å; F21-L24 PolarHBondContact O-N 2.95Å; F21-V25 VanDerWaalsContact O-CG2 3.31Å; F21-V25 WeakPolarHBondContact O-CG2 3.42Å; F21-V25 PolarHBondContact O-N 3.09Å; F21-Y362 HydrophobicContact CE2-CD1 4.1Å; F21-Y362 AromaticContact CE2-CE1 3.84Å; F21-Y362 HydrophobicContact CE2-CE1 3.84Å; F21-Y362 AromaticContact CZ-CD1 3.73Å; F21-Y362 HydrophobicContact CZ-CD1 3.73Å; F21-Y362 AromaticContact CZ-CE1 3.98Å; F21-Y362 HydrophobicContact CZ-CE1 3.98Å; F21-Y362 HydrophobicContact CZ-CG 4.23Å; F21-V365 HydrophobicContact CD1-CG1 3.57Å; F21-V365 HydrophobicContact CE1-CB 3.94Å; F21-V365 HydrophobicContact CE1-CG1 3.4Å; F21-V365 VanDerWaalsContact CE1-CG1 3.4Å; F21-V365 HydrophobicContact CZ-CG1 4.35Å; F21-R366 HydrophobicContact CE1-CG 4.44Å; F21-I381 HydrophobicContact CB-CD1 4.01Å; F21-I381 HydrophobicContact CD2-CD1 4.45Å; F21-I381 HydrophobicContact CG-CD1 4.37Å; F21-P382 HydrophobicContact CD2-CG 4.34Å; F21-P382 HydrophobicContact CE1-CG 4.39Å; F21-P382 HydrophobicContact CE2-CG 3.39Å; F21-P382 VanDerWaalsContact CZ-CD 3.44Å; F21-P382 HydrophobicContact CZ-CG 3.44Å; F21-P382 VanDerWaalsContact CZ-CG 3.44Å
22	V	84.6	Confident	83.4	Confident	40 Å²	40	72.5 Å²	72.5	24%	0.242	38%	0.384	C	S	.	.	H	α-helix	trans	-63.3	-45.5	169.6	172.9	0	0	0	0	111.1	W18 E20 L24 V25 M26 Q35	W18-V22 WeakPolarHBondContact O-CB 3.41Å; W18-V22 WeakPolarHBondContact O-CG2 3.36Å; W18-V22 PolarHBondContact O-N 3.11Å; E20-V22 VanDerWaalsContact C-N 3.34Å; E20-V22 PolarHBondContact O-N 3.35Å; V22-L24 VanDerWaalsContact C-N 3.29Å; V22-L24 PolarHBondContact O-N 3.29Å; V22-V25 PolarHBondContact O-N 3.45Å; V22-M26 HydrophobicContact CG1-CG 4.47Å; V22-M26 HydrophobicContact CG1-SD 4.15Å; V22-M26 WeakPolarHBondContact O-CG 3.34Å; V22-M26 PolarHBondContact O-N 2.99Å; V22-Q35 HydrophobicContact CG2-CG 4.27Å
23	G	86.1	Confident	83.7	Confident	36 Å²	36	70.9 Å²	70.9	37%	0.371	36%	0.361	S	S	.	.	H	α-helix	trans	-58.2	-42.1	176.6	0	0	0	0	0	112.1	V19 E20 K27	V19-G23 PolarHBondContact O-N 2.8Å; V19-G23 VanDerWaalsContact O-N 3.09Å; E20-G23 WeakPolarHBondContact O-CA 3.4Å; E20-G23 PolarHBondContact O-N 2.71Å; E20-G23 VanDerWaalsContact O-N 3.1Å; G23-K27 WeakPolarHBondContact O-CB 3.22Å; G23-K27 PolarHBondContact O-N 3.35Å
24	L	86	Confident	83.9	Confident	28 Å²	28	68.1 Å²	68.1	15%	0.147	35%	0.347	C	S	.	.	H	α-helix	trans	-63.6	-48.1	177.2	-74.8	166.8	0	0	0	112.5	E20 F21 V22 M26 K27 H28 R366	E20-L24 HydrophobicContact CG-CD1 4.23Å; E20-L24 PolarHBondContact O-N 3.24Å; F21-L24 HydrophobicContact CD1-CD1 3.77Å; F21-L24 HydrophobicContact CE1-CD1 4.02Å; F21-L24 PolarHBondContact O-N 2.95Å; V22-L24 VanDerWaalsContact C-N 3.29Å; V22-L24 PolarHBondContact O-N 3.29Å; L24-M26 VanDerWaalsContact C-N 3.34Å; L24-M26 PolarHBondContact O-N 3.29Å; L24-K27 PolarHBondContact O-N 3.08Å; L24-H28 WeakPolarHBondContact O-CB 3.17Å; L24-H28 PolarHBondContact O-CD2 2.8Å; L24-H28 PolarHBondContact O-N 3.01Å; L24-R366 HydrophobicContact CD1-CG 3.76Å
25	V	84.8	Confident	83.9	Confident	16 Å²	16	63.5 Å²	63.5	10%	0.097	33%	0.325	C	S	.	.	H	α-helix	trans	-59	-46.5	178.5	169.1	0	0	0	0	111.2	F21 V22 Q29 A30 N32 G379	F21-V25 VanDerWaalsContact O-CG2 3.31Å; F21-V25 WeakPolarHBondContact O-CG2 3.42Å; F21-V25 PolarHBondContact O-N 3.09Å; V22-V25 PolarHBondContact O-N 3.45Å; V25-Q29 WeakPolarHBondContact O-CA 3.37Å; V25-Q29 PolarHBondContact O-N 2.8Å; V25-A30 HydrophobicContact CG1-CB 4.44Å; V25-A30 HydrophobicContact CG2-CB 4.49Å; V25-A30 PolarHBondContact O-N 2.97Å; V25-A30 VanDerWaalsContact O-N 3.11Å; V25-N32 HydrophobicContact CG1-CB 3.87Å; V25-G379 VanDerWaalsContact CG2-CA 3.47Å
26	M	84.8	Confident	83.9	Confident	143 Å²	143	55.5 Å²	55.5	70%	0.704	29%	0.292	S	S	*	.	H	α-helix	trans	-64.3	-46.5	177.8	-71.1	-174.9	68	0	0	112	V22 L24 H28 Q29	V22-M26 HydrophobicContact CG1-CG 4.47Å; V22-M26 HydrophobicContact CG1-SD 4.15Å; V22-M26 WeakPolarHBondContact O-CG 3.34Å; V22-M26 PolarHBondContact O-N 2.99Å; L24-M26 VanDerWaalsContact C-N 3.34Å; L24-M26 PolarHBondContact O-N 3.29Å; M26-H28 VanDerWaalsContact C-N 3.28Å; M26-H28 PolarHBondContact O-N 2.82Å; M26-Q29 PolarHBondContact O-N 2.95Å
27	K	86.5	Confident	83.4	Confident	158 Å²	158	55.3 Å²	55.3	69%	0.687	29%	0.288	S	S	*	.	H	α-helix	trans	-59.1	-41	-179.2	178.4	-178	177.9	-174.3	0	112	G23 L24	G23-K27 WeakPolarHBondContact O-CB 3.22Å; G23-K27 PolarHBondContact O-N 3.35Å; L24-K27 PolarHBondContact O-N 3.08Å
28	H	84.7	Confident	82.8	Confident	29 Å²	29	55.2 Å²	55.2	13%	0.134	29%	0.287	C	S	.	.	H	α-helix	trans	-97.1	-6.1	-173.9	-70.4	-64.5	0	0	0	113.9	L24 M26 A30 C369 K377	L24-H28 WeakPolarHBondContact O-CB 3.17Å; L24-H28 PolarHBondContact O-CD2 2.8Å; L24-H28 PolarHBondContact O-N 3.01Å; M26-H28 VanDerWaalsContact C-N 3.28Å; M26-H28 PolarHBondContact O-N 2.82Å; H28-A30 VanDerWaalsContact C-N 3.28Å; H28-C369 WeakPolarHBondContact CB-O 3.39Å; H28-K377 HydrophobicContact CB-CD 4.11Å; H28-K377 WeakPolarHBondContact O-CD 3.41Å; H28-K377 WeakPolarHBondContact O-CE 3.36Å; H28-K377 PolarHBondContact O-NZ 3.24Å
29	Q	83.6	Confident	82.2	Confident	174 Å²	174	56.5 Å²	56.5	81%	0.813	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	44.4	-173.1	-58.9	178.8	-19.6	0	0	111.5	V25 M26	V25-Q29 WeakPolarHBondContact O-CA 3.37Å; V25-Q29 PolarHBondContact O-N 2.8Å; M26-Q29 PolarHBondContact O-N 2.95Å
30	A	81.6	Confident	81.5	Confident	12 Å²	12	54.3 Å²	54.3	10%	0.099	28%	0.279	C	S	.	.			trans	-77.5	148.3	-179.8	0	0	0	0	0	111.7	V25 H28 N32 K377	V25-A30 HydrophobicContact CG1-CB 4.44Å; V25-A30 HydrophobicContact CG2-CB 4.49Å; V25-A30 PolarHBondContact O-N 2.97Å; V25-A30 VanDerWaalsContact O-N 3.11Å; H28-A30 VanDerWaalsContact C-N 3.28Å; A30-N32 PolarHBondContact O-N 2.82Å; A30-K377 CarbonylContact C-O 3.56Å; A30-K377 VanDerWaalsContact CA-O 3.23Å; A30-K377 WeakPolarHBondContact CA-O 3.38Å; A30-K377 HydrophobicContact CB-CB 3.7Å; A30-K377 WeakPolarHBondContact CB-O 3.1Å
31	L	82.8	Confident	81	Confident	90 Å²	90	56.4 Å²	56.4	47%	0.471	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	118.2	167.9	176	66	0	0	0	108.6	L33 K377 L378 G379	L31-L33 HydrophobicContact CD2-CD1 4.36Å; L31-L33 HydrophobicContact CD2-CD2 4.47Å; L31-L33 HydrophobicContact CD2-CG 4.34Å; L31-L33 HydrophobicContact CG-CD2 4.39Å; L31-L33 HydrophobicContact CG-CG 4.24Å; L31-L33 PolarHBondContact O-N 2.87Å; L31-K377 PolarHBondContact N-O 2.99Å; L31-L378 HydrophobicContact CB-CD2 3.9Å; L31-L378 HydrophobicContact CD2-CD2 3.95Å; L31-L378 HydrophobicContact CG-CD2 4.31Å; L31-G379 PolarHBondContact O-N 2.88Å
32	N	85.1	Confident	80.8	Confident	27 Å²	27	57.4 Å²	57.4	14%	0.144	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	95.2	-172.4	-172.1	-12.2	0	0	0	111.5	V25 A30 G34 Q35 K405	V25-N32 HydrophobicContact CG1-CB 3.87Å; A30-N32 PolarHBondContact O-N 2.82Å; N32-G34 PolarHBondContact OD1-N 3.21Å; N32-G34 VanDerWaalsContact OD1-N 3.15Å; N32-Q35 PolarHBondContact ND2-OE1 2.92Å; N32-Q35 PolarHBondContact OD1-N 3.39Å; N32-Q35 VanDerWaalsContact OD1-N 3.07Å; N32-K405 WeakPolarHBondContact O-CE 3.42Å; N32-K405 PolarHBondContact O-NZ 3.45Å
33	L	86.8	Confident	80.9	Confident	22 Å²	22	58 Å²	58	12%	0.115	31%	0.312	C	S	.	.			trans	-102.3	8.7	170	-58.6	180	0	0	0	111.8	L31 L378 G379 L380 F401 C402 K405	L31-L33 HydrophobicContact CD2-CD1 4.36Å; L31-L33 HydrophobicContact CD2-CD2 4.47Å; L31-L33 HydrophobicContact CD2-CG 4.34Å; L31-L33 HydrophobicContact CG-CD2 4.39Å; L31-L33 HydrophobicContact CG-CG 4.24Å; L31-L33 PolarHBondContact O-N 2.87Å; L33-L378 HydrophobicContact CD1-CD2 4.46Å; L33-G379 CarbonylContact C-O 3.51Å; L33-G379 PolarHBondContact N-O 3.34Å; L33-L380 HydrophobicContact CB-CD2 3.82Å; L33-F401 HydrophobicContact CB-CD1 4.28Å; L33-F401 HydrophobicContact CD1-CD1 4.18Å; L33-F401 CarbonylContact O-C 3.4Å; L33-F401 WeakPolarHBondContact O-CA 3.27Å; L33-C402 VanDerWaalsContact O-CB 3.29Å; L33-C402 WeakPolarHBondContact O-CB 3.19Å; L33-C402 PolarHBondContact O-N 3.32Å; L33-K405 HydrophobicContact CD2-CD 4.49Å; L33-K405 HydrophobicContact CD2-CG 3.97Å
34	G	82	Confident	81.2	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.01	32%	0.319	C	S	.	.	S	Bend	trans	-92	-45.9	-176.2	0	0	0	0	0	112.9	N32 G379 I381 R400	N32-G34 PolarHBondContact OD1-N 3.21Å; N32-G34 VanDerWaalsContact OD1-N 3.15Å; G34-G379 PolarHBondContact N-O 2.05Å; G34-I381 WeakPolarHBondContact O-CG1 3.45Å; G34-R400 PolarHBondContact O-NH2 2.96Å
35	Q	77.7	Confident	81.5	Confident	44 Å²	44	61.1 Å²	61.1	21%	0.206	33%	0.334	C	S	.	.	S	Bend	trans	-79.1	138.3	-172.5	-65.3	-173.7	-75.7	0	0	113.2	V22 N32 F37 C402	V22-Q35 HydrophobicContact CG2-CG 4.27Å; N32-Q35 PolarHBondContact ND2-OE1 2.92Å; N32-Q35 PolarHBondContact OD1-N 3.39Å; N32-Q35 VanDerWaalsContact OD1-N 3.07Å; Q35-F37 VanDerWaalsContact C-N 3.29Å; Q35-F37 HydrophobicContact CB-CD1 3.73Å; Q35-F37 HydrophobicContact CB-CE1 3.6Å; Q35-F37 HydrophobicContact CG-CE1 4.28Å; Q35-F37 PolarHBondContact O-N 3.33Å; Q35-F37 VanDerWaalsContact O-N 3.08Å; Q35-C402 PolarHBondContact O-SG 2.82Å
36	G	76.9	Confident	82	Confident	16 Å²	16	60.6 Å²	60.6	17%	0.165	33%	0.33	C	S	.	.			trans	-84.3	53.9	-178.9	0	0	0	0	0	114.3	K247 Y338	G36-K247 PolarHBondContact O-NZ 2.91Å; G36-Y338 PolarHBondContact O-OH 3.44Å
37	F	70.7	Confident	82.5	Confident	72 Å²	72	56 Å²	56	32%	0.316	31%	0.311	S	S	.	.	S	Bend	trans	-130.8	153.6	168.2	67.7	-100	0	0	0	111.1	Q35 D39 T252	Q35-F37 VanDerWaalsContact C-N 3.29Å; Q35-F37 HydrophobicContact CB-CD1 3.73Å; Q35-F37 HydrophobicContact CB-CE1 3.6Å; Q35-F37 HydrophobicContact CG-CE1 4.28Å; Q35-F37 PolarHBondContact O-N 3.33Å; Q35-F37 VanDerWaalsContact O-N 3.08Å; F37-D39 HydrophobicContact CE2-CB 4.38Å; F37-T252 HydrophobicContact CB-CG2 4.38Å
38	T	69.9	Low	83	Confident	20 Å²	20	51.8 Å²	51.8	12%	0.123	30%	0.295	C	S	.	.			trans	-77.6	124.1	173	48.3	0	0	0	0	109.8	F40 S250 F404	T38-F40 HydrophobicContact CG2-CD1 4.46Å; T38-F40 HydrophobicContact CG2-CE1 3.61Å; T38-F40 HydrophobicContact CG2-CE2 4.33Å; T38-F40 HydrophobicContact CG2-CZ 3.51Å; T38-S250 PolarHBondContact OG1-O 2.87Å; T38-F404 HydrophobicContact CG2-CD1 3.26Å; T38-F404 HydrophobicContact CG2-CD2 3.74Å; T38-F404 HydrophobicContact CG2-CE1 3.3Å; T38-F404 HydrophobicContact CG2-CE2 3.82Å; T38-F404 HydrophobicContact CG2-CG 3.56Å; T38-F404 HydrophobicContact CG2-CZ 3.59Å
39	D	72.1	Confident	83.6	Confident	74 Å²	74	51.1 Å²	51.1	40%	0.396	29%	0.292	S	S	.	.	S	Bend	trans	-92.4	25.6	172.9	46.6	3.3	0	0	0	112.2	F37 K405 P406	F37-D39 HydrophobicContact CE2-CB 4.38Å; D39-K405 WeakPolarHBondContact OD1-CD 3.39Å; D39-K405 IonicContact OD1-NZ 3.67Å; D39-K405 WeakPolarHBondContact OD2-CD 3.09Å; D39-K405 IonicContact OD2-NZ 2.91Å; D39-K405 PolarHBondContact OD2-NZ 3.29Å; D39-P406 WeakPolarHBondContact OD1-CD 3.4Å; D39-P406 WeakPolarHBondContact OD1-CG 3.32Å
40	F	72.3	Confident	84.3	Confident	63 Å²	63	45 Å²	45	28%	0.276	27%	0.265	S	S	.	.	S	Bend	trans	-136	160.1	171.8	59.5	-86.7	0	0	0	110.2	T38 F404 P406	T38-F40 HydrophobicContact CG2-CD1 4.46Å; T38-F40 HydrophobicContact CG2-CE1 3.61Å; T38-F40 HydrophobicContact CG2-CE2 4.33Å; T38-F40 HydrophobicContact CG2-CZ 3.51Å; F40-F404 AromaticContact CE1-CD2 3.8Å; F40-F404 HydrophobicContact CE1-CD2 3.8Å; F40-F404 AromaticContact CE1-CE2 3.99Å; F40-F404 HydrophobicContact CE1-CE2 3.99Å; F40-F404 HydrophobicContact CE2-CE2 4.4Å; F40-F404 AromaticContact CZ-CD2 3.66Å; F40-F404 HydrophobicContact CZ-CD2 3.66Å; F40-F404 AromaticContact CZ-CE2 3.35Å; F40-F404 HydrophobicContact CZ-CE2 3.35Å; F40-F404 HydrophobicContact CZ-CZ 4.03Å; F40-P406 HydrophobicContact CB-CB 4.18Å; F40-P406 HydrophobicContact CB-CG 4.17Å; F40-P406 HydrophobicContact CD1-CB 4.17Å; F40-P406 HydrophobicContact CD1-CG 4.03Å; F40-P406 HydrophobicContact CG-CB 4.45Å
41	C	75.8	Confident	85	Confident	113 Å²	113	47.2 Å²	47.2	76%	0.764	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-62.5	133.3	-179.8	-67.9	0	0	0	0	110.7
42	P	82.3	Confident	85.7	Confident	28 Å²	28	48.9 Å²	48.9	18%	0.182	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-59.7	161.6	166.8	32.4	-39.7	0	0	0	109.7	S44 T47 L251	P42-S44 PolarHBondContact O-N 3.11Å; P42-T47 HydrophobicContact CG-CG2 3.68Å; P42-L251 HydrophobicContact CB-CD2 3.63Å; P42-L251 HydrophobicContact CB-CG 4.37Å; P42-L251 HydrophobicContact CG-CD2 3.48Å; P42-L251 VanDerWaalsContact CG-CD2 3.48Å
43	P	85.8	Confident	86.3	Confident	51 Å²	51	47.8 Å²	47.8	33%	0.331	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-50.9	129.2	172.3	-26	33.9	0	0	0	111.2	A45 F46 Y305	P43-A45 PolarHBondContact O-N 3.32Å; P43-F46 HydrophobicContact CB-CD2 4.06Å; P43-F46 HydrophobicContact CB-CE2 3.92Å; P43-F46 HydrophobicContact CG-CD2 4.12Å; P43-F46 HydrophobicContact CG-CE2 3.69Å; P43-F46 HydrophobicContact CG-CZ 4.5Å; P43-F46 PolarHBondContact O-N 2.79Å; P43-Y305 HydrophobicContact CG-CD2 4.18Å; P43-Y305 HydrophobicContact CG-CE2 3.47Å; P43-Y305 VanDerWaalsContact CG-CE2 3.47Å
44	S	92.1	Very high	86.8	Confident	75 Å²	75	48.8 Å²	48.8	52%	0.524	29%	0.289	S	S	.	.	H	α-helix	trans	-57.5	-30.7	-174.3	69.1	0	0	0	0	111.9	P42 F46 T47 D48	P42-S44 PolarHBondContact O-N 3.11Å; S44-F46 PolarHBondContact O-N 3.32Å; S44-T47 WeakPolarHBondContact CA-OG1 3.38Å; S44-T47 PolarHBondContact O-N 3.37Å; S44-T47 PolarHBondContact O-OG1 2.89Å; S44-D48 VanDerWaalsContact O-CB 3.25Å; S44-D48 WeakPolarHBondContact O-CB 3.48Å; S44-D48 PolarHBondContact O-N 3.39Å
45	A	92.8	Very high	87.6	Confident	55 Å²	55	56 Å²	56	46%	0.455	33%	0.327	S	S	.	.	H	α-helix	trans	-48.3	-29.9	174.9	0	0	0	0	0	113.8	P43	P43-A45 PolarHBondContact O-N 3.32Å
46	F	94.9	Very high	88.5	Confident	5 Å²	5	55.9 Å²	55.9	2%	0.022	33%	0.331	C	S	.	.	H	α-helix	trans	-87.3	-42	176.4	-49.3	-41.9	0	0	0	113.2	P43 S44 D48 E49 L50 F249 L251 C291 Q295 Y305	P43-F46 HydrophobicContact CB-CD2 4.06Å; P43-F46 HydrophobicContact CB-CE2 3.92Å; P43-F46 HydrophobicContact CG-CD2 4.12Å; P43-F46 HydrophobicContact CG-CE2 3.69Å; P43-F46 HydrophobicContact CG-CZ 4.5Å; P43-F46 PolarHBondContact O-N 2.79Å; S44-F46 PolarHBondContact O-N 3.32Å; F46-D48 PolarHBondContact O-N 2.98Å; F46-E49 PolarHBondContact O-N 3.41Å; F46-L50 PolarHBondContact O-N 2.87Å; F46-F249 HydrophobicContact CD1-CD1 4.05Å; F46-F249 HydrophobicContact CD1-CE1 4.46Å; F46-F249 HydrophobicContact CD2-CB 4.28Å; F46-F249 HydrophobicContact CD2-CD1 4.25Å; F46-F249 AromaticContact CE1-CD1 3.74Å; F46-F249 HydrophobicContact CE1-CD1 3.74Å; F46-F249 HydrophobicContact CE1-CE1 4.02Å; F46-F249 HydrophobicContact CE2-CB 4.41Å; F46-F249 AromaticContact CE2-CD1 3.95Å; F46-F249 HydrophobicContact CE2-CD1 3.95Å; F46-F249 HydrophobicContact CG-CD1 4.31Å; F46-F249 AromaticContact CZ-CD1 3.7Å; F46-F249 HydrophobicContact CZ-CD1 3.7Å; F46-F249 HydrophobicContact CZ-CE1 4.28Å; F46-L251 HydrophobicContact CB-CD1 3.9Å; F46-C291 HydrophobicContact CD1-CB 4.15Å; F46-Q295 HydrophobicContact CE1-CG 4.28Å; F46-Y305 AromaticContact CE2-CD1 3.83Å; F46-Y305 HydrophobicContact CE2-CD1 3.83Å; F46-Y305 HydrophobicContact CE2-CD2 4.04Å; F46-Y305 AromaticContact CE2-CE1 3.76Å; F46-Y305 HydrophobicContact CE2-CE1 3.76Å; F46-Y305 AromaticContact CE2-CE2 3.97Å; F46-Y305 HydrophobicContact CE2-CE2 3.97Å; F46-Y305 AromaticContact CE2-CG 3.96Å; F46-Y305 HydrophobicContact CE2-CG 3.96Å; F46-Y305 AromaticContact CE2-CZ 3.8Å; F46-Y305 AromaticContact CZ-CD1 3.72Å; F46-Y305 HydrophobicContact CZ-CD1 3.72Å; F46-Y305 AromaticContact CZ-CD2 3.92Å; F46-Y305 HydrophobicContact CZ-CD2 3.92Å; F46-Y305 HydrophobicContact CZ-CE1 4.15Å; F46-Y305 HydrophobicContact CZ-CE2 4.33Å; F46-Y305 AromaticContact CZ-CG 3.58Å; F46-Y305 HydrophobicContact CZ-CG 3.58Å
47	T	95.2	Very high	89.5	Confident	48 Å²	48	61.1 Å²	61.1	29%	0.294	37%	0.365	S	S	.	.	H	α-helix	trans	-68.6	-27.8	177.1	51.6	0	0	0	0	112.4	P42 S44 E49 L50 S51 L251	P42-T47 HydrophobicContact CG-CG2 3.68Å; S44-T47 WeakPolarHBondContact CA-OG1 3.38Å; S44-T47 PolarHBondContact O-N 3.37Å; S44-T47 PolarHBondContact O-OG1 2.89Å; T47-E49 VanDerWaalsContact C-N 3.34Å; T47-L50 PolarHBondContact O-N 2.77Å; T47-S51 PolarHBondContact O-N 3.27Å; T47-S51 PolarHBondContact O-OG 2.74Å; T47-L251 HydrophobicContact CG2-CD2 4.47Å
48	D	97.4	Very high	90.7	Very high	68 Å²	68	59.5 Å²	59.5	36%	0.364	36%	0.359	S	S	.	.	H	α-helix	trans	-67.9	-35.5	175.2	-66.4	-15.7	0	0	0	110.6	S44 F46 S51 K52	S44-D48 VanDerWaalsContact O-CB 3.25Å; S44-D48 WeakPolarHBondContact O-CB 3.48Å; S44-D48 PolarHBondContact O-N 3.39Å; F46-D48 PolarHBondContact O-N 2.98Å; D48-S51 PolarHBondContact O-N 3.16Å; D48-K52 WeakPolarHBondContact O-CB 3.37Å; D48-K52 WeakPolarHBondContact O-CG 3.45Å; D48-K52 PolarHBondContact O-N 3.18Å
49	E	97.9	Very high	92	Very high	15 Å²	15	66.4 Å²	66.4	7%	0.07	38%	0.384	C	S	.	.	H	α-helix	trans	-63.5	-42	173	-69.3	-53.5	133	0	0	111.6	F46 T47 S51 K52 V53 A287 N290	F46-E49 PolarHBondContact O-N 3.41Å; T47-E49 VanDerWaalsContact C-N 3.34Å; E49-S51 VanDerWaalsContact C-N 3.34Å; E49-S51 PolarHBondContact O-N 3.35Å; E49-K52 PolarHBondContact O-N 3.44Å; E49-K52 IonicContact OE1-NZ 2.78Å; E49-K52 PolarHBondContact OE1-NZ 2.94Å; E49-V53 VanDerWaalsContact O-CG2 3.3Å; E49-V53 WeakPolarHBondContact O-CG2 3.18Å; E49-V53 PolarHBondContact O-N 3.34Å; E49-A287 HydrophobicContact CB-CB 4.19Å; E49-N290 HydrophobicContact CB-CB 4.43Å; E49-N290 HydrophobicContact CG-CB 4.03Å; E49-N290 VanDerWaalsContact OE2-CB 3.23Å; E49-N290 WeakPolarHBondContact OE2-CB 3.41Å; E49-N290 PolarHBondContact OE2-ND2 3.38Å
50	L	97.4	Very high	93.1	Very high	45 Å²	45	70.3 Å²	70.3	24%	0.236	39%	0.393	C	S	.	.	H	α-helix	trans	-64	-42.1	174.4	-178	59.2	0	0	0	111.7	F46 T47 V53 A54 W254 A283 I284 A287	F46-L50 PolarHBondContact O-N 2.87Å; T47-L50 PolarHBondContact O-N 2.77Å; L50-V53 PolarHBondContact O-N 3.14Å; L50-A54 WeakPolarHBondContact O-CB 3.27Å; L50-A54 PolarHBondContact O-N 3.19Å; L50-W254 HydrophobicContact CB-CH2 3.77Å; L50-W254 HydrophobicContact CB-CZ2 3.62Å; L50-W254 HydrophobicContact CD2-CH2 4.42Å; L50-W254 HydrophobicContact CD2-CZ2 3.66Å; L50-W254 HydrophobicContact CG-CZ2 4.23Å; L50-A283 HydrophobicContact CD1-CB 4.46Å; L50-I284 HydrophobicContact CD1-CG1 4.23Å; L50-A287 HydrophobicContact CB-CB 3.96Å; L50-A287 HydrophobicContact CD1-CB 4.15Å
51	S	97.7	Very high	94.3	Very high	59 Å²	59	69 Å²	69	41%	0.413	39%	0.388	S	S	.	.	H	α-helix	trans	-61.9	-44.7	177.2	-58.7	0	0	0	0	111.5	T47 D48 E49 V53 A54 L55	T47-S51 PolarHBondContact O-N 3.27Å; T47-S51 PolarHBondContact O-OG 2.74Å; D48-S51 PolarHBondContact O-N 3.16Å; E49-S51 VanDerWaalsContact C-N 3.34Å; E49-S51 PolarHBondContact O-N 3.35Å; S51-V53 PolarHBondContact O-N 3.33Å; S51-A54 PolarHBondContact O-N 3.01Å; S51-L55 VanDerWaalsContact O-CB 3.29Å; S51-L55 WeakPolarHBondContact O-CB 3.24Å; S51-L55 VanDerWaalsContact O-CG 3.27Å; S51-L55 WeakPolarHBondContact O-CG 3.3Å; S51-L55 PolarHBondContact O-N 2.9Å
52	K	97.9	Very high	95.3	Very high	125 Å²	125	68.6 Å²	68.6	54%	0.543	38%	0.375	S	S	.	.	H	α-helix	trans	-60.2	-44.8	175.9	-72	167.7	-163	170.7	0	111.8	D48 E49 S56	D48-K52 WeakPolarHBondContact O-CB 3.37Å; D48-K52 WeakPolarHBondContact O-CG 3.45Å; D48-K52 PolarHBondContact O-N 3.18Å; E49-K52 PolarHBondContact O-N 3.44Å; E49-K52 IonicContact OE1-NZ 2.78Å; E49-K52 PolarHBondContact OE1-NZ 2.94Å; K52-S56 WeakPolarHBondContact O-CB 3.4Å; K52-S56 PolarHBondContact O-N 2.72Å; K52-S56 VanDerWaalsContact O-N 3.11Å
53	V	97.7	Very high	96	Very high	5 Å²	5	72.4 Å²	72.4	3%	0.03	39%	0.39	C	S	.	.	H	α-helix	trans	-66.4	-46	178.7	171.1	0	0	0	0	110.9	E49 L50 S51 L55 S56 F61 A283 A286 A287	E49-V53 VanDerWaalsContact O-CG2 3.3Å; E49-V53 WeakPolarHBondContact O-CG2 3.18Å; E49-V53 PolarHBondContact O-N 3.34Å; L50-V53 PolarHBondContact O-N 3.14Å; S51-V53 PolarHBondContact O-N 3.33Å; V53-L55 VanDerWaalsContact C-N 3.33Å; V53-L55 PolarHBondContact O-N 3.16Å; V53-S56 VanDerWaalsContact O-CB 3.29Å; V53-S56 WeakPolarHBondContact O-CB 3.45Å; V53-S56 PolarHBondContact O-N 2.9Å; V53-F61 HydrophobicContact CG1-CB 3.85Å; V53-F61 HydrophobicContact CG1-CD1 3.8Å; V53-F61 HydrophobicContact CG1-CD2 4.12Å; V53-F61 HydrophobicContact CG1-CE1 4.36Å; V53-F61 HydrophobicContact CG1-CG 3.67Å; V53-A283 HydrophobicContact CG1-CB 3.9Å; V53-A286 HydrophobicContact CG1-CB 3.96Å; V53-A286 HydrophobicContact CG2-CB 4.1Å; V53-A287 HydrophobicContact CG2-CB 4.35Å
54	A	97.3	Very high	96.6	Very high	43 Å²	43	79.7 Å²	79.7	36%	0.355	41%	0.412	S	S	.	.	H	α-helix	trans	-69.6	-28.2	-177.3	0	0	0	0	0	113.7	L50 S51 H62	L50-A54 WeakPolarHBondContact O-CB 3.27Å; L50-A54 PolarHBondContact O-N 3.19Å; S51-A54 PolarHBondContact O-N 3.01Å; A54-H62 PolarHBondContact O-CE1 2.85Å; A54-H62 VanDerWaalsContact O-CE1 3.23Å; A54-H62 PolarHBondContact O-NE2 3.34Å
55	L	97.8	Very high	96.9	Very high	153 Å²	153	77.6 Å²	77.6	80%	0.801	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	1.6	177.2	-62.3	174.6	0	0	0	113	S51 V53	S51-L55 VanDerWaalsContact O-CB 3.29Å; S51-L55 WeakPolarHBondContact O-CB 3.24Å; S51-L55 VanDerWaalsContact O-CG 3.27Å; S51-L55 WeakPolarHBondContact O-CG 3.3Å; S51-L55 PolarHBondContact O-N 2.9Å; V53-L55 VanDerWaalsContact C-N 3.33Å; V53-L55 PolarHBondContact O-N 3.16Å
56	S	97.1	Very high	97.1	Very high	41 Å²	41	78.4 Å²	78.4	29%	0.287	39%	0.388	S	S	.	.			trans	-63.6	145.8	-179.6	-173.7	0	0	0	0	111.5	K52 V53 D58	K52-S56 WeakPolarHBondContact O-CB 3.4Å; K52-S56 PolarHBondContact O-N 2.72Å; K52-S56 VanDerWaalsContact O-N 3.11Å; V53-S56 VanDerWaalsContact O-CB 3.29Å; V53-S56 WeakPolarHBondContact O-CB 3.45Å; V53-S56 PolarHBondContact O-N 2.9Å; S56-D58 PolarHBondContact O-N 3.43Å; S56-D58 PolarHBondContact OG-N 2.86Å
57	S	97	Very high	97.2	Very high	125 Å²	125	79 Å²	79	87%	0.874	40%	0.395	S	S	*	.	S	Bend	trans	-72.5	-11.1	170.6	56.9	0	0	0	0	113.1	Y59	S57-Y59 PolarHBondContact O-N 3.42Å
58	D	97	Very high	97.4	Very high	39 Å²	39	78.9 Å²	78.9	21%	0.209	39%	0.39	C	S	.	.			trans	-75.6	93.6	173.6	-171.6	-7.2	0	0	0	110.7	S56 R60 F61	S56-D58 PolarHBondContact O-N 3.43Å; S56-D58 PolarHBondContact OG-N 2.86Å; D58-R60 PolarHBondContact O-N 2.99Å; D58-R60 VanDerWaalsContact OD1-CB 3.24Å; D58-R60 WeakPolarHBondContact OD1-CB 3Å; D58-R60 VanDerWaalsContact OD1-CG 3.3Å; D58-R60 WeakPolarHBondContact OD1-CG 3.28Å; D58-R60 IonicContact OD1-CZ 2.85Å; D58-R60 PolarHBondContact OD1-N 3.31Å; D58-R60 VanDerWaalsContact OD1-N 3.13Å; D58-R60 IonicContact OD1-NE 2.72Å; D58-R60 PolarHBondContact OD1-NE 3.39Å; D58-R60 IonicContact OD1-NH2 3.95Å; D58-R60 IonicContact OD2-CZ 2.63Å; D58-R60 IonicContact OD2-NE 3.99Å; D58-R60 PolarHBondContact OD2-NE 3.25Å; D58-R60 IonicContact OD2-NH2 3.97Å; D58-R60 PolarHBondContact OD2-NH2 2.99Å; D58-F61 HydrophobicContact CB-CD2 3.86Å; D58-F61 HydrophobicContact CB-CE2 3.79Å; D58-F61 WeakPolarHBondContact O-CD2 3.49Å; D58-F61 PolarHBondContact O-N 3.45Å
59	Y	96.1	Very high	97.4	Very high	164 Å²	164	75.7 Å²	75.7	64%	0.643	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-55.8	-19.7	-178.3	75.1	-89.8	0	0	0	113.9	S57 F61 H62 Q63	S57-Y59 PolarHBondContact O-N 3.42Å; Y59-F61 PolarHBondContact O-N 3.49Å; Y59-H62 PolarHBondContact O-N 3.01Å; Y59-Q63 HydrophobicContact CD2-CG 4.03Å; Y59-Q63 HydrophobicContact CE2-CG 4.39Å
60	R	96.5	Very high	97.5	Very high	156 Å²	156	77.2 Å²	77.2	59%	0.589	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-63.3	-24.9	-179.2	-62.5	176.1	-67.3	-180	0.8	112.6	D58 H62 Q63	D58-R60 PolarHBondContact O-N 2.99Å; D58-R60 VanDerWaalsContact OD1-CB 3.24Å; D58-R60 WeakPolarHBondContact OD1-CB 3Å; D58-R60 VanDerWaalsContact OD1-CG 3.3Å; D58-R60 WeakPolarHBondContact OD1-CG 3.28Å; D58-R60 IonicContact OD1-CZ 2.85Å; D58-R60 PolarHBondContact OD1-N 3.31Å; D58-R60 VanDerWaalsContact OD1-N 3.13Å; D58-R60 IonicContact OD1-NE 2.72Å; D58-R60 PolarHBondContact OD1-NE 3.39Å; D58-R60 IonicContact OD1-NH2 3.95Å; D58-R60 IonicContact OD2-CZ 2.63Å; D58-R60 IonicContact OD2-NE 3.99Å; D58-R60 PolarHBondContact OD2-NE 3.25Å; D58-R60 IonicContact OD2-NH2 3.97Å; D58-R60 PolarHBondContact OD2-NH2 2.99Å; R60-H62 PolarHBondContact O-N 2.86Å; R60-Q63 PolarHBondContact O-N 3.36Å; R60-Q63 VanDerWaalsContact O-N 3.07Å
61	F	96.9	Very high	97.5	Very high	35 Å²	35	77.9 Å²	77.9	15%	0.154	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-64.8	-20.5	174.9	-67.6	-54.5	0	0	0	113.5	V53 D58 Y59 A283 A286	V53-F61 HydrophobicContact CG1-CB 3.85Å; V53-F61 HydrophobicContact CG1-CD1 3.8Å; V53-F61 HydrophobicContact CG1-CD2 4.12Å; V53-F61 HydrophobicContact CG1-CE1 4.36Å; V53-F61 HydrophobicContact CG1-CG 3.67Å; D58-F61 HydrophobicContact CB-CD2 3.86Å; D58-F61 HydrophobicContact CB-CE2 3.79Å; D58-F61 WeakPolarHBondContact O-CD2 3.49Å; D58-F61 PolarHBondContact O-N 3.45Å; Y59-F61 PolarHBondContact O-N 3.49Å; F61-A283 PolarHBondContact O-N 2.92Å; F61-A286 HydrophobicContact CD1-CB 3.8Å; F61-A286 HydrophobicContact CE1-CB 3.65Å
62	H	96.6	Very high	97.6	Very high	106 Å²	106	77.2 Å²	77.2	49%	0.491	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-95.4	-0.9	176	-54.5	-66.7	0	0	0	113.3	A54 Y59 R60	A54-H62 PolarHBondContact O-CE1 2.85Å; A54-H62 VanDerWaalsContact O-CE1 3.23Å; A54-H62 PolarHBondContact O-NE2 3.34Å; Y59-H62 PolarHBondContact O-N 3.01Å; R60-H62 PolarHBondContact O-N 2.86Å
63	Q	97.7	Very high	97.6	Very high	107 Å²	107	71.3 Å²	71.3	50%	0.5	35%	0.351	S	S	.	.	S	Bend	trans	-108	173	-179.2	-53.1	-51.4	-43.2	0	0	111.2	Y59 R60 T282	Y59-Q63 HydrophobicContact CD2-CG 4.03Å; Y59-Q63 HydrophobicContact CE2-CG 4.39Å; R60-Q63 PolarHBondContact O-N 3.36Å; R60-Q63 VanDerWaalsContact O-N 3.07Å; Q63-T282 VanDerWaalsContact O-CB 3.3Å; Q63-T282 WeakPolarHBondContact O-CB 3.37Å; Q63-T282 PolarHBondContact O-OG1 3.45Å
64	Y	98.1	Very high	97.7	Very high	205 Å²	205	71.1 Å²	71.1	80%	0.804	35%	0.349	S	S	*	.			trans	-60.2	139.9	175.4	-66.3	-53.7	0	0	0	112.3	T279	Y64-T279 HydrophobicContact CD1-CG2 3.55Å; Y64-T279 HydrophobicContact CE1-CG2 3.98Å; Y64-T279 HydrophobicContact CG-CG2 4.5Å
65	T	97.5	Very high	97.7	Very high	31 Å²	31	73.3 Å²	73.3	19%	0.19	35%	0.353	C	S	.	.			trans	-105	-178.6	165.4	-164.6	0	0	0	0	111.2	G67 Y70 T279 T282	T65-G67 PolarHBondContact O-N 3.43Å; T65-Y70 WeakPolarHBondContact OG1-CD2 3.3Å; T65-T279 PolarHBondContact O-OG1 2.95Å; T65-T282 HydrophobicContact CG2-CG2 4.35Å; T65-T282 PolarHBondContact N-OG1 2.81Å
66	R	97.7	Very high	97.8	Very high	72 Å²	72	66 Å²	66	27%	0.272	31%	0.314	S	S	.	.			trans	-53.1	130.6	174.7	172.5	177.5	-178.9	-94.9	3.3	110.1	F68 G69 I71 L92	R66-F68 PolarHBondContact O-N 3.06Å; R66-G69 WeakPolarHBondContact CB-O 3.49Å; R66-G69 CarbonylContact O-C 3.57Å; R66-G69 PolarHBondContact O-N 3.4Å; R66-I71 VanDerWaalsContact CD-CD1 3.5Å; R66-L92 PolarHBondContact NH2-O 3.03Å
67	G	97.3	Very high	97.9	Very high	17 Å²	17	64.1 Å²	64.1	18%	0.175	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-48.5	-172.7	0	0	0	0	0	113.9	T65 G69 H273 Y278	T65-G67 PolarHBondContact O-N 3.43Å; G67-G69 PolarHBondContact O-N 3.14Å; G67-G69 VanDerWaalsContact O-N 3.15Å; G67-H273 PolarHBondContact O-NE2 2.64Å; G67-H273 VanDerWaalsContact O-NE2 3.1Å; G67-Y278 CarbonylContact C-O 3.54Å; G67-Y278 WeakPolarHBondContact CA-O 3.47Å
68	F	98.5	Very high	98	Very high	45 Å²	45	58.3 Å²	58.3	20%	0.197	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	5.6	-178.3	-49.5	-43.5	0	0	0	114.7	R66 L96 I97 R270 Q274	R66-F68 PolarHBondContact O-N 3.06Å; F68-L96 HydrophobicContact CB-CD1 3.77Å; F68-L96 HydrophobicContact CD1-CD1 3.92Å; F68-L96 HydrophobicContact CG-CD1 4.25Å; F68-I97 PolarHBondContact O-N 3.09Å; F68-I97 VanDerWaalsContact O-N 3.15Å; F68-R270 HydrophobicContact CD1-CB 4.1Å; F68-R270 HydrophobicContact CD1-CG 3.78Å; F68-R270 HydrophobicContact CD2-CG 4.18Å; F68-R270 HydrophobicContact CE1-CB 3.68Å; F68-R270 HydrophobicContact CE1-CG 3.88Å; F68-R270 HydrophobicContact CE2-CB 4.36Å; F68-R270 HydrophobicContact CE2-CG 4.26Å; F68-R270 HydrophobicContact CG-CG 3.94Å; F68-R270 HydrophobicContact CZ-CB 3.83Å; F68-R270 HydrophobicContact CZ-CG 4.13Å; F68-Q274 HydrophobicContact CE1-CB 4.21Å
69	G	98.6	Very high	98	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.01	27%	0.272	C	S	.	.			trans	137.8	146.6	174.4	0	0	0	0	0	114	R66 G67 I71	R66-G69 WeakPolarHBondContact CB-O 3.49Å; R66-G69 CarbonylContact O-C 3.57Å; R66-G69 PolarHBondContact O-N 3.4Å; G67-G69 PolarHBondContact O-N 3.14Å; G67-G69 VanDerWaalsContact O-N 3.15Å; G69-I71 PolarHBondContact O-N 3.01Å
70	Y	98.6	Very high	98.1	Very high	48 Å²	48	54.8 Å²	54.8	19%	0.188	24%	0.243	C	C	.	.			trans	-57.1	127.1	170.3	-177.4	-118.7	0	0	0	110.4	T65 P72 L73 V74 T282 Q285 A286 A289	T65-Y70 WeakPolarHBondContact OG1-CD2 3.3Å; Y70-P72 HydrophobicContact CD1-CB 4.03Å; Y70-P72 HydrophobicContact CD1-CG 4.05Å; Y70-P72 HydrophobicContact CE1-CB 3.6Å; Y70-P72 VanDerWaalsContact CE1-CD 3.44Å; Y70-P72 HydrophobicContact CE1-CG 3.41Å; Y70-P72 VanDerWaalsContact CE1-CG 3.41Å; Y70-P72 HydrophobicContact CE2-CG 4.41Å; Y70-L73 HydrophobicContact CD1-CB 4.19Å; Y70-L73 WeakPolarHBondContact O-CA 3.32Å; Y70-L73 WeakPolarHBondContact O-CB 3.3Å; Y70-L73 PolarHBondContact O-N 3Å; Y70-V74 PolarHBondContact O-N 2.65Å; Y70-T282 HydrophobicContact CD2-CG2 4.45Å; Y70-Q285 HydrophobicContact CD1-CB 4.48Å; Y70-Q285 HydrophobicContact CG-CB 4.29Å; Y70-A286 HydrophobicContact CD1-CB 4.19Å; Y70-A286 HydrophobicContact CE1-CB 3.69Å; Y70-A289 HydrophobicContact CD1-CB 4.36Å; Y70-A289 HydrophobicContact CE1-CB 4.38Å
71	I	98.6	Very high	98.2	Very high	59 Å²	59	47.4 Å²	47.4	30%	0.303	22%	0.215	S	C	.	.	H	α-helix	trans	-54.7	-53.4	-169.7	-67.2	-67.5	0	0	0	112.8	R66 G69 L73 V74 E75 L92	R66-I71 VanDerWaalsContact CD-CD1 3.5Å; G69-I71 PolarHBondContact O-N 3.01Å; I71-L73 PolarHBondContact O-N 2.87Å; I71-L73 VanDerWaalsContact O-N 3.14Å; I71-V74 WeakPolarHBondContact O-CG2 3.29Å; I71-V74 PolarHBondContact O-N 2.9Å; I71-V74 VanDerWaalsContact O-N 3.15Å; I71-E75 HydrophobicContact CG2-CG 4.19Å; I71-E75 WeakPolarHBondContact O-CB 3.41Å; I71-E75 WeakPolarHBondContact O-CG 3.29Å; I71-E75 PolarHBondContact O-N 3.22Å; I71-L92 HydrophobicContact CD1-CD2 3.54Å
72	P	98.6	Very high	98.3	Very high	45 Å²	45	47 Å²	47	29%	0.292	22%	0.217	S	C	.	.	H	α-helix	trans	-57.2	-32.1	177.1	-29	35.9	0	0	0	114.3	Y70 V76 A289	Y70-P72 HydrophobicContact CD1-CB 4.03Å; Y70-P72 HydrophobicContact CD1-CG 4.05Å; Y70-P72 HydrophobicContact CE1-CB 3.6Å; Y70-P72 VanDerWaalsContact CE1-CD 3.44Å; Y70-P72 HydrophobicContact CE1-CG 3.41Å; Y70-P72 VanDerWaalsContact CE1-CG 3.41Å; Y70-P72 HydrophobicContact CE2-CG 4.41Å; P72-V76 WeakPolarHBondContact O-CG1 3.5Å; P72-V76 PolarHBondContact O-N 3.11Å; P72-A289 HydrophobicContact CB-CB 4.14Å
73	L	98.8	Very high	98.3	Very high	1 Å²	1	47 Å²	47	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-71.2	-45.4	178	-179.3	55.8	0	0	0	111.7	Y70 I71 E75 V76 L77 I97 Q285 V288 A289 F292	Y70-L73 HydrophobicContact CD1-CB 4.19Å; Y70-L73 WeakPolarHBondContact O-CA 3.32Å; Y70-L73 WeakPolarHBondContact O-CB 3.3Å; Y70-L73 PolarHBondContact O-N 3Å; I71-L73 PolarHBondContact O-N 2.87Å; I71-L73 VanDerWaalsContact O-N 3.14Å; L73-E75 VanDerWaalsContact C-N 3.3Å; L73-E75 PolarHBondContact O-N 3.2Å; L73-V76 HydrophobicContact CD1-CG1 4.22Å; L73-V76 WeakPolarHBondContact O-CG1 3.34Å; L73-L77 HydrophobicContact CD1-CD1 3.97Å; L73-L77 HydrophobicContact CD1-CG 4.13Å; L73-L77 HydrophobicContact CG-CD1 4.04Å; L73-L77 WeakPolarHBondContact O-CB 3.31Å; L73-L77 VanDerWaalsContact O-CG 3.24Å; L73-L77 WeakPolarHBondContact O-CG 3.39Å; L73-L77 PolarHBondContact O-N 2.92Å; L73-L77 VanDerWaalsContact O-N 3.1Å; L73-I97 HydrophobicContact CD2-CD1 3.69Å; L73-I97 HydrophobicContact CD2-CG1 3.99Å; L73-I97 HydrophobicContact CD2-CG2 4.27Å; L73-I97 HydrophobicContact CG-CD1 3.8Å; L73-I97 HydrophobicContact CG-CG1 4.35Å; L73-Q285 HydrophobicContact CD2-CB 3.78Å; L73-Q285 HydrophobicContact CD2-CG 3.79Å; L73-V288 HydrophobicContact CD1-CB 4.25Å; L73-V288 HydrophobicContact CD1-CG1 3.61Å; L73-V288 HydrophobicContact CD2-CB 4.47Å; L73-V288 HydrophobicContact CD2-CG1 4.32Å; L73-A289 HydrophobicContact CB-CB 4Å; L73-A289 HydrophobicContact CD1-CB 4.33Å; L73-F292 HydrophobicContact CD1-CD2 4.07Å; L73-F292 HydrophobicContact CD1-CE2 4.41Å
74	V	98.8	Very high	98.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-68.8	-32.6	178.4	-63.3	0	0	0	0	111.8	Y70 I71 A78 P91 V95 I97	Y70-V74 PolarHBondContact O-N 2.65Å; I71-V74 WeakPolarHBondContact O-CG2 3.29Å; I71-V74 PolarHBondContact O-N 2.9Å; I71-V74 VanDerWaalsContact O-N 3.15Å; V74-A78 WeakPolarHBondContact O-CB 3.43Å; V74-A78 PolarHBondContact O-N 3.23Å; V74-P91 HydrophobicContact CB-CB 4.26Å; V74-P91 WeakPolarHBondContact CB-O 3.18Å; V74-P91 HydrophobicContact CG2-CB 4.09Å; V74-P91 WeakPolarHBondContact O-CB 3.48Å; V74-V95 HydrophobicContact CB-CB 4.14Å; V74-V95 HydrophobicContact CB-CG1 4.09Å; V74-V95 HydrophobicContact CG1-CB 4.21Å; V74-V95 HydrophobicContact CG1-CG1 3.88Å; V74-I97 HydrophobicContact CG1-CD1 4.06Å; V74-I97 HydrophobicContact CG1-CG1 3.79Å
75	E	98.8	Very high	98.2	Very high	90 Å²	90	34 Å²	34	42%	0.421	17%	0.173	S	C	.	.	H	α-helix	trans	-66.9	-46.1	175.8	-73.6	176.5	157.4	0	0	112.8	I71 L73 A78 R79 P91	I71-E75 HydrophobicContact CG2-CG 4.19Å; I71-E75 WeakPolarHBondContact O-CB 3.41Å; I71-E75 WeakPolarHBondContact O-CG 3.29Å; I71-E75 PolarHBondContact O-N 3.22Å; L73-E75 VanDerWaalsContact C-N 3.3Å; L73-E75 PolarHBondContact O-N 3.2Å; E75-A78 PolarHBondContact O-N 2.95Å; E75-R79 WeakPolarHBondContact O-CB 3.08Å; E75-R79 PolarHBondContact O-N 2.87Å; E75-P91 HydrophobicContact CG-CB 4.1Å; E75-P91 HydrophobicContact CG-CG 4.24Å
76	V	98.8	Very high	98.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.9	-39.2	178.3	72.1	0	0	0	0	111.5	P72 L73 F80 F292 E293 L296	P72-V76 WeakPolarHBondContact O-CG1 3.5Å; P72-V76 PolarHBondContact O-N 3.11Å; L73-V76 HydrophobicContact CD1-CG1 4.22Å; L73-V76 WeakPolarHBondContact O-CG1 3.34Å; V76-F80 WeakPolarHBondContact O-CB 3.35Å; V76-F80 PolarHBondContact O-N 2.86Å; V76-F292 HydrophobicContact CB-CB 4.46Å; V76-F292 HydrophobicContact CG1-CB 3.77Å; V76-F292 HydrophobicContact CG1-CD2 4.5Å; V76-F292 HydrophobicContact CG1-CG 4.35Å; V76-F292 HydrophobicContact CG2-CB 3.73Å; V76-E293 HydrophobicContact CB-CG 4.48Å; V76-E293 HydrophobicContact CG2-CG 4.05Å; V76-L296 HydrophobicContact CG2-CD1 3.37Å
77	L	98.8	Very high	98	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.2	-50.6	174.3	-71.2	172.3	0	0	0	111.3	L73 R79 F80 Y81 V95 I97 W258 F292	L73-L77 HydrophobicContact CD1-CD1 3.97Å; L73-L77 HydrophobicContact CD1-CG 4.13Å; L73-L77 HydrophobicContact CG-CD1 4.04Å; L73-L77 WeakPolarHBondContact O-CB 3.31Å; L73-L77 VanDerWaalsContact O-CG 3.24Å; L73-L77 WeakPolarHBondContact O-CG 3.39Å; L73-L77 PolarHBondContact O-N 2.92Å; L73-L77 VanDerWaalsContact O-N 3.1Å; L77-R79 VanDerWaalsContact C-N 3.33Å; L77-R79 PolarHBondContact O-N 2.89Å; L77-F80 PolarHBondContact O-N 2.96Å; L77-F80 VanDerWaalsContact O-N 3.16Å; L77-Y81 HydrophobicContact CD2-CD2 4.43Å; L77-Y81 HydrophobicContact CD2-CE2 4.02Å; L77-Y81 WeakPolarHBondContact O-CB 3.47Å; L77-Y81 WeakPolarHBondContact O-CD2 3.27Å; L77-Y81 PolarHBondContact O-N 3.39Å; L77-V95 HydrophobicContact CB-CG1 4.34Å; L77-V95 HydrophobicContact CD1-CG1 4.19Å; L77-I97 HydrophobicContact CD1-CD1 3.56Å; L77-W258 HydrophobicContact CD1-CB 4.09Å; L77-W258 HydrophobicContact CD1-CD2 4.06Å; L77-W258 HydrophobicContact CD1-CE3 4.1Å; L77-W258 HydrophobicContact CD1-CG 4.06Å; L77-W258 HydrophobicContact CD2-CD2 4.04Å; L77-W258 HydrophobicContact CD2-CE3 4.17Å; L77-W258 HydrophobicContact CD2-CZ2 4.39Å; L77-W258 HydrophobicContact CD2-CZ3 4.4Å; L77-F292 HydrophobicContact CD2-CD2 4.21Å; L77-F292 HydrophobicContact CD2-CE1 4.16Å; L77-F292 HydrophobicContact CD2-CE2 3.65Å; L77-F292 HydrophobicContact CD2-CZ 3.63Å
78	A	98.8	Very high	98	Very high	3 Å²	3	40.3 Å²	40.3	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-57.6	-46.1	179.7	0	0	0	0	0	111.7	V74 E75 F80 S82 V89 P91 V95	V74-A78 WeakPolarHBondContact O-CB 3.43Å; V74-A78 PolarHBondContact O-N 3.23Å; E75-A78 PolarHBondContact O-N 2.95Å; A78-F80 VanDerWaalsContact C-N 3.35Å; A78-F80 PolarHBondContact O-N 2.89Å; A78-S82 VanDerWaalsContact O-CB 3.28Å; A78-S82 WeakPolarHBondContact O-CB 3.28Å; A78-S82 PolarHBondContact O-N 3.1Å; A78-S82 PolarHBondContact O-OG 3.25Å; A78-V89 HydrophobicContact CB-CB 4.23Å; A78-V89 HydrophobicContact CB-CG1 4.05Å; A78-P91 HydrophobicContact CB-CB 3.65Å; A78-P91 HydrophobicContact CB-CG 4.25Å; A78-V95 HydrophobicContact CB-CG2 3.98Å
79	R	98.3	Very high	98	Very high	120 Å²	120	38.5 Å²	38.5	45%	0.453	22%	0.222	S	C	.	.	H	α-helix	trans	-60	-45.1	176.8	-177.6	170.9	65.4	-103.8	8.1	111.8	E75 L77 T83 E293	E75-R79 WeakPolarHBondContact O-CB 3.08Å; E75-R79 PolarHBondContact O-N 2.87Å; L77-R79 VanDerWaalsContact C-N 3.33Å; L77-R79 PolarHBondContact O-N 2.89Å; R79-T83 PolarHBondContact O-OG1 3.18Å; R79-E293 IonicContact CZ-OE1 3.73Å; R79-E293 IonicContact NH1-OE1 3.76Å; R79-E293 IonicContact NH2-OE1 2.68Å; R79-E293 PolarHBondContact NH2-OE1 3.4Å; R79-E293 IonicContact NH2-OE2 3.32Å; R79-E293 PolarHBondContact NH2-OE2 3.05Å
80	F	98	Very high	98	Very high	9 Å²	9	41.2 Å²	41.2	4%	0.039	24%	0.236	C	C	.	.	H	α-helix	trans	-68.6	-51.2	-178.2	-174	-152.4	0	0	0	112.2	V76 L77 A78 S82 T83 L84 W218 F292 L296 Y299 F306	V76-F80 WeakPolarHBondContact O-CB 3.35Å; V76-F80 PolarHBondContact O-N 2.86Å; L77-F80 PolarHBondContact O-N 2.96Å; L77-F80 VanDerWaalsContact O-N 3.16Å; A78-F80 VanDerWaalsContact C-N 3.35Å; A78-F80 PolarHBondContact O-N 2.89Å; F80-S82 PolarHBondContact O-N 3.08Å; F80-T83 WeakPolarHBondContact O-CB 3.44Å; F80-T83 PolarHBondContact O-N 3.41Å; F80-T83 VanDerWaalsContact O-N 3.1Å; F80-L84 HydrophobicContact CD1-CD1 3.9Å; F80-L84 HydrophobicContact CD2-CD1 3.87Å; F80-L84 HydrophobicContact CD2-CD2 4.43Å; F80-L84 HydrophobicContact CD2-CG 3.99Å; F80-L84 HydrophobicContact CE1-CD1 3.84Å; F80-L84 HydrophobicContact CE2-CD1 3.79Å; F80-L84 HydrophobicContact CE2-CD2 3.89Å; F80-L84 HydrophobicContact CE2-CG 3.92Å; F80-L84 HydrophobicContact CG-CD1 3.95Å; F80-L84 HydrophobicContact CG-CG 4.5Å; F80-L84 HydrophobicContact CZ-CD1 3.8Å; F80-L84 HydrophobicContact CZ-CD2 4.29Å; F80-L84 HydrophobicContact CZ-CG 4.38Å; F80-L84 WeakPolarHBondContact O-CG 3.39Å; F80-L84 PolarHBondContact O-N 3.34Å; F80-L84 VanDerWaalsContact O-N 3.09Å; F80-W218 HydrophobicContact CD1-CZ2 4.38Å; F80-W218 AromaticContact CE1-CH2 3.59Å; F80-W218 HydrophobicContact CE1-CH2 3.59Å; F80-W218 AromaticContact CE1-CZ2 3.29Å; F80-W218 HydrophobicContact CE1-CZ2 3.29Å; F80-W218 HydrophobicContact CE2-CH2 4.18Å; F80-W218 AromaticContact CZ-CH2 3.21Å; F80-W218 HydrophobicContact CZ-CH2 3.21Å; F80-W218 AromaticContact CZ-CZ2 3.48Å; F80-W218 HydrophobicContact CZ-CZ2 3.48Å; F80-W218 VanDerWaalsContact CZ-CZ2 3.48Å; F80-W218 HydrophobicContact CZ-CZ3 4.22Å; F80-F292 HydrophobicContact CD1-CE1 4.44Å; F80-L296 HydrophobicContact CB-CD1 3.98Å; F80-L296 HydrophobicContact CB-CD2 4.13Å; F80-L296 HydrophobicContact CD1-CD2 3.73Å; F80-L296 HydrophobicContact CD2-CD2 3.33Å; F80-L296 HydrophobicContact CE1-CD2 3.76Å; F80-L296 HydrophobicContact CE2-CD2 3.4Å; F80-L296 VanDerWaalsContact CE2-CD2 3.4Å; F80-L296 HydrophobicContact CG-CD1 4.23Å; F80-L296 HydrophobicContact CG-CD2 3.48Å; F80-L296 VanDerWaalsContact CG-CD2 3.48Å; F80-L296 HydrophobicContact CG-CG 4.47Å; F80-L296 HydrophobicContact CZ-CD2 3.59Å; F80-Y299 HydrophobicContact CE2-CD1 4.15Å; F80-Y299 HydrophobicContact CE2-CE1 4.14Å; F80-Y299 HydrophobicContact CE2-CG 4.4Å; F80-F306 HydrophobicContact CE1-CD2 4.2Å; F80-F306 AromaticContact CE1-CE2 3.71Å; F80-F306 HydrophobicContact CE1-CE2 3.71Å; F80-F306 HydrophobicContact CZ-CD2 4.06Å; F80-F306 AromaticContact CZ-CE2 3.93Å; F80-F306 HydrophobicContact CZ-CE2 3.93Å
81	Y	98.4	Very high	98	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-65.6	-25	178.9	-81.4	-90.1	0	0	0	112.4	L77 T83 L84 L85 E217 W258 I260	L77-Y81 HydrophobicContact CD2-CD2 4.43Å; L77-Y81 HydrophobicContact CD2-CE2 4.02Å; L77-Y81 WeakPolarHBondContact O-CB 3.47Å; L77-Y81 WeakPolarHBondContact O-CD2 3.27Å; L77-Y81 PolarHBondContact O-N 3.39Å; Y81-T83 VanDerWaalsContact C-N 3.3Å; Y81-T83 PolarHBondContact O-N 3.26Å; Y81-L84 HydrophobicContact CD1-CD1 4.3Å; Y81-L84 HydrophobicContact CE1-CD1 4.46Å; Y81-L84 HydrophobicContact CG-CD1 4.48Å; Y81-L84 PolarHBondContact O-N 2.93Å; Y81-L85 HydrophobicContact CD1-CD1 4.47Å; Y81-L85 VanDerWaalsContact O-CB 3.23Å; Y81-L85 WeakPolarHBondContact O-CB 3.42Å; Y81-L85 VanDerWaalsContact O-CG 3.24Å; Y81-L85 WeakPolarHBondContact O-CG 3.37Å; Y81-L85 PolarHBondContact O-N 3.38Å; Y81-E217 PolarHBondContact OH-OE1 2.88Å; Y81-W258 HydrophobicContact CE2-CZ2 4.3Å; Y81-W258 AromaticContact CE2-NE1 3.5Å; Y81-W258 AromaticContact CZ-NE1 3.35Å; Y81-W258 VanDerWaalsContact OH-CE2 3.29Å; Y81-W258 WeakPolarHBondContact OH-CZ2 3.27Å; Y81-W258 PolarHBondContact OH-NE1 3.16Å; Y81-I260 HydrophobicContact CD1-CD1 3.74Å; Y81-I260 HydrophobicContact CD2-CD1 3.24Å; Y81-I260 HydrophobicContact CE1-CD1 4.12Å; Y81-I260 HydrophobicContact CE2-CD1 3.64Å; Y81-I260 HydrophobicContact CG-CD1 3.28Å
82	S	98.4	Very high	98	Very high	26 Å²	26	41 Å²	41	18%	0.182	24%	0.24	C	C	.	.	H	α-helix	trans	-60.7	-43.4	172.6	-62.1	0	0	0	0	112.2	A78 F80 G86 H87 V89	A78-S82 VanDerWaalsContact O-CB 3.28Å; A78-S82 WeakPolarHBondContact O-CB 3.28Å; A78-S82 PolarHBondContact O-N 3.1Å; A78-S82 PolarHBondContact O-OG 3.25Å; F80-S82 PolarHBondContact O-N 3.08Å; S82-G86 WeakPolarHBondContact O-CA 3.25Å; S82-G86 PolarHBondContact O-N 3.35Å; S82-H87 CarbonylContact C-O 3.57Å; S82-H87 WeakPolarHBondContact CA-O 3.46Å; S82-H87 WeakPolarHBondContact CB-O 3.3Å; S82-H87 PolarHBondContact O-N 3.26Å; S82-H87 PolarHBondContact OG-O 2.66Å; S82-V89 PolarHBondContact OG-N 3.09Å
83	T	97.2	Very high	98	Very high	108 Å²	108	42.4 Å²	42.4	66%	0.663	25%	0.245	S	C	*	.	H	α-helix	trans	-65.7	-45	174.4	-55.3	0	0	0	0	111.3	R79 F80 Y81 L85	R79-T83 PolarHBondContact O-OG1 3.18Å; F80-T83 WeakPolarHBondContact O-CB 3.44Å; F80-T83 PolarHBondContact O-N 3.41Å; F80-T83 VanDerWaalsContact O-N 3.1Å; Y81-T83 VanDerWaalsContact C-N 3.3Å; Y81-T83 PolarHBondContact O-N 3.26Å; T83-L85 PolarHBondContact O-N 3.4Å
84	L	97	Very high	98	Very high	27 Å²	27	43.4 Å²	43.4	14%	0.141	25%	0.25	C	S	.	.	H	α-helix	trans	-69.5	-31.2	-175.8	-62.1	170.3	0	0	0	113.4	F80 Y81 W218	F80-L84 HydrophobicContact CD1-CD1 3.9Å; F80-L84 HydrophobicContact CD2-CD1 3.87Å; F80-L84 HydrophobicContact CD2-CD2 4.43Å; F80-L84 HydrophobicContact CD2-CG 3.99Å; F80-L84 HydrophobicContact CE1-CD1 3.84Å; F80-L84 HydrophobicContact CE2-CD1 3.79Å; F80-L84 HydrophobicContact CE2-CD2 3.89Å; F80-L84 HydrophobicContact CE2-CG 3.92Å; F80-L84 HydrophobicContact CG-CD1 3.95Å; F80-L84 HydrophobicContact CG-CG 4.5Å; F80-L84 HydrophobicContact CZ-CD1 3.8Å; F80-L84 HydrophobicContact CZ-CD2 4.29Å; F80-L84 HydrophobicContact CZ-CG 4.38Å; F80-L84 WeakPolarHBondContact O-CG 3.39Å; F80-L84 PolarHBondContact O-N 3.34Å; F80-L84 VanDerWaalsContact O-N 3.09Å; Y81-L84 HydrophobicContact CD1-CD1 4.3Å; Y81-L84 HydrophobicContact CE1-CD1 4.46Å; Y81-L84 HydrophobicContact CG-CD1 4.48Å; Y81-L84 PolarHBondContact O-N 2.93Å; L84-W218 HydrophobicContact CD1-CH2 3.83Å; L84-W218 HydrophobicContact CD1-CZ2 3.94Å; L84-W218 HydrophobicContact CD2-CH2 4.02Å
85	L	97.6	Very high	98	Very high	12 Å²	12	43.4 Å²	43.4	6%	0.063	25%	0.25	C	S	.	.	H	α-helix	trans	-95.2	-15.9	-178.8	-62.1	176.9	0	0	0	113	Y81 T83 H87 V89 R228 A230 W236 I260	Y81-L85 HydrophobicContact CD1-CD1 4.47Å; Y81-L85 VanDerWaalsContact O-CB 3.23Å; Y81-L85 WeakPolarHBondContact O-CB 3.42Å; Y81-L85 VanDerWaalsContact O-CG 3.24Å; Y81-L85 WeakPolarHBondContact O-CG 3.37Å; Y81-L85 PolarHBondContact O-N 3.38Å; T83-L85 PolarHBondContact O-N 3.4Å; L85-H87 HydrophobicContact CB-CB 4.28Å; L85-H87 PolarHBondContact O-N 2.98Å; L85-V89 HydrophobicContact CD1-CG2 4.3Å; L85-R228 HydrophobicContact CD2-CB 3.69Å; L85-R228 HydrophobicContact CD2-CG 4.41Å; L85-A230 HydrophobicContact CD2-CB 4.13Å; L85-W236 HydrophobicContact CD1-CE3 4.14Å; L85-W236 HydrophobicContact CD1-CZ3 3.67Å; L85-I260 HydrophobicContact CD1-CG2 4.44Å
86	G	95.9	Very high	98	Very high	75 Å²	75	39.1 Å²	39.1	77%	0.773	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.8	27.4	-169.9	0	0	0	0	0	113	S82	S82-G86 WeakPolarHBondContact O-CA 3.25Å; S82-G86 PolarHBondContact O-N 3.35Å
87	H	93.7	Very high	98	Very high	75 Å²	75	39.1 Å²	39.1	35%	0.347	23%	0.23	S	C	.	.	S	Bend	trans	-134	142.9	-177.5	-169.2	82	0	0	0	110.1	S82 L85 V89 W236	S82-H87 CarbonylContact C-O 3.57Å; S82-H87 WeakPolarHBondContact CA-O 3.46Å; S82-H87 WeakPolarHBondContact CB-O 3.3Å; S82-H87 PolarHBondContact O-N 3.26Å; S82-H87 PolarHBondContact OG-O 2.66Å; L85-H87 HydrophobicContact CB-CB 4.28Å; L85-H87 PolarHBondContact O-N 2.98Å; H87-V89 PolarHBondContact O-N 3.49Å; H87-W236 AromaticContact CD2-CD2 3.7Å; H87-W236 AromaticContact CD2-CE2 3.32Å; H87-W236 AromaticContact CD2-CZ2 3.59Å; H87-W236 AromaticContact CD2-NE1 3.51Å; H87-W236 AromaticContact CE1-CD1 3.53Å; H87-W236 AromaticContact CE1-NE1 3.53Å; H87-W236 AromaticContact NE2-CD1 3.55Å; H87-W236 AromaticContact NE2-CE2 3.39Å; H87-W236 AromaticContact NE2-CZ2 3.89Å; H87-W236 AromaticContact NE2-NE1 3.03Å; H87-W236 PolarHBondContact NE2-NE1 3.44Å
88	S	98	Very high	98	Very high	101 Å²	101	39.1 Å²	39.1	71%	0.706	23%	0.23	S	C	*	.			trans	-79.5	105.6	177.8	-174.5	0	0	0	0	110.4
89	V	98.8	Very high	98	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.042	24%	0.244	C	C	.	.			trans	-84.5	126.3	177.8	-177.8	0	0	0	0	110	A78 S82 L85 H87 P91 E94 V95 W236 I260	A78-V89 HydrophobicContact CB-CB 4.23Å; A78-V89 HydrophobicContact CB-CG1 4.05Å; S82-V89 PolarHBondContact OG-N 3.09Å; L85-V89 HydrophobicContact CD1-CG2 4.3Å; H87-V89 PolarHBondContact O-N 3.49Å; V89-P91 WeakPolarHBondContact O-CD 3.49Å; V89-E94 WeakPolarHBondContact CA-OE2 3.23Å; V89-E94 HydrophobicContact CG1-CB 3.87Å; V89-V95 HydrophobicContact CG1-CG2 3.76Å; V89-W236 HydrophobicContact CG1-CH2 4.43Å; V89-W236 HydrophobicContact CG2-CH2 3.86Å; V89-W236 HydrophobicContact CG2-CZ3 4.26Å; V89-I260 HydrophobicContact CG1-CG2 4.01Å; V89-I260 HydrophobicContact CG2-CG2 4.31Å
90	D	98.7	Very high	98	Very high	58 Å²	58	36.5 Å²	36.5	31%	0.31	22%	0.223	S	C	.	.			trans	-80.5	115.6	172.6	-179.6	-16.4	0	0	0	110.8	L92 N93 E94	D90-L92 PolarHBondContact O-N 2.82Å; D90-L92 WeakPolarHBondContact OD1-CA 3.35Å; D90-L92 WeakPolarHBondContact OD1-CB 3.02Å; D90-L92 PolarHBondContact OD1-N 2.82Å; D90-N93 HydrophobicContact CB-CB 4.24Å; D90-N93 PolarHBondContact O-N 3.16Å; D90-N93 PolarHBondContact OD1-N 3.4Å; D90-N93 WeakPolarHBondContact OD2-CB 3.17Å; D90-N93 PolarHBondContact OD2-ND2 3.03Å; D90-E94 HydrophobicContact CB-CB 4.44Å; D90-E94 HydrophobicContact CB-CG 4.09Å; D90-E94 PolarHBondContact N-OE2 3.36Å; D90-E94 WeakPolarHBondContact O-CA 3.47Å; D90-E94 WeakPolarHBondContact O-CB 3.47Å; D90-E94 PolarHBondContact O-N 3.47Å
91	P	98.7	Very high	98	Very high	31 Å²	31	36.6 Å²	36.6	20%	0.201	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-30.7	179.9	25.2	-34.2	0	0	0	113.6	V74 E75 A78 V89	V74-P91 HydrophobicContact CB-CB 4.26Å; V74-P91 WeakPolarHBondContact CB-O 3.18Å; V74-P91 HydrophobicContact CG2-CB 4.09Å; V74-P91 WeakPolarHBondContact O-CB 3.48Å; E75-P91 HydrophobicContact CG-CB 4.1Å; E75-P91 HydrophobicContact CG-CG 4.24Å; A78-P91 HydrophobicContact CB-CB 3.65Å; A78-P91 HydrophobicContact CB-CG 4.25Å; V89-P91 WeakPolarHBondContact O-CD 3.49Å
92	L	98.4	Very high	98	Very high	73 Å²	73	41 Å²	41	38%	0.382	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-19.7	-176.1	-60.6	-172.7	0	0	0	113	R66 I71 D90 R270	R66-L92 PolarHBondContact NH2-O 3.03Å; I71-L92 HydrophobicContact CD1-CD2 3.54Å; D90-L92 PolarHBondContact O-N 2.82Å; D90-L92 WeakPolarHBondContact OD1-CA 3.35Å; D90-L92 WeakPolarHBondContact OD1-CB 3.02Å; D90-L92 PolarHBondContact OD1-N 2.82Å; L92-R270 PolarHBondContact O-NH1 2.96Å; L92-R270 PolarHBondContact O-NH2 3.45Å
93	N	98.5	Very high	98	Very high	74 Å²	74	41 Å²	41	40%	0.396	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-17.2	-174	-66.4	-52.7	0	0	0	115.5	D90 M266 R270	D90-N93 HydrophobicContact CB-CB 4.24Å; D90-N93 PolarHBondContact O-N 3.16Å; D90-N93 PolarHBondContact OD1-N 3.4Å; D90-N93 WeakPolarHBondContact OD2-CB 3.17Å; D90-N93 PolarHBondContact OD2-ND2 3.03Å; N93-M266 VanDerWaalsContact O-CB 3.24Å; N93-M266 WeakPolarHBondContact O-CB 3.25Å; N93-M266 WeakPolarHBondContact O-CG 3.45Å; N93-R270 VanDerWaalsContact C-NH2 3.29Å; N93-R270 PolarHBondContact OD1-NH1 3Å
94	E	98.8	Very high	98.1	Very high	22 Å²	22	35.8 Å²	35.8	10%	0.103	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.1	2.4	-169.8	-61.3	-178.2	145.4	0	0	113	V89 D90 W236 I260 C261 S263 M266	V89-E94 WeakPolarHBondContact CA-OE2 3.23Å; V89-E94 HydrophobicContact CG1-CB 3.87Å; D90-E94 HydrophobicContact CB-CB 4.44Å; D90-E94 HydrophobicContact CB-CG 4.09Å; D90-E94 PolarHBondContact N-OE2 3.36Å; D90-E94 WeakPolarHBondContact O-CA 3.47Å; D90-E94 WeakPolarHBondContact O-CB 3.47Å; D90-E94 PolarHBondContact O-N 3.47Å; E94-W236 HydrophobicContact CB-CZ2 4.47Å; E94-W236 HydrophobicContact CG-CZ2 4.47Å; E94-I260 VanDerWaalsContact O-CA 3.28Å; E94-I260 WeakPolarHBondContact O-CA 3.5Å; E94-C261 VanDerWaalsContact CA-O 3.26Å; E94-C261 WeakPolarHBondContact CA-O 3.36Å; E94-C261 VanDerWaalsContact CB-O 3.23Å; E94-C261 WeakPolarHBondContact CB-O 3.19Å; E94-C261 PolarHBondContact O-N 3.43Å; E94-S263 PolarHBondContact OE1-N 2.74Å; E94-M266 VanDerWaalsContact O-CE 3.25Å; E94-M266 WeakPolarHBondContact O-CE 3.25Å
95	V	98.9	Very high	98.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.8	169.4	-170.5	0	0	0	0	109.6	V74 L77 A78 V89 I97 I260 R270	V74-V95 HydrophobicContact CB-CB 4.14Å; V74-V95 HydrophobicContact CB-CG1 4.09Å; V74-V95 HydrophobicContact CG1-CB 4.21Å; V74-V95 HydrophobicContact CG1-CG1 3.88Å; L77-V95 HydrophobicContact CB-CG1 4.34Å; L77-V95 HydrophobicContact CD1-CG1 4.19Å; A78-V95 HydrophobicContact CB-CG2 3.98Å; V89-V95 HydrophobicContact CG1-CG2 3.76Å; V95-I97 HydrophobicContact CG1-CD1 4.39Å; V95-I260 HydrophobicContact CG1-CG1 4.42Å; V95-I260 HydrophobicContact CG2-CG1 4.3Å; V95-R270 PolarHBondContact O-NH2 3.05Å
96	L	98.9	Very high	98.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	124.4	170.2	172.4	65.8	0	0	0	109.9	F68 T98 Y107 W258 A259 M266 L269 R270 H273	F68-L96 HydrophobicContact CB-CD1 3.77Å; F68-L96 HydrophobicContact CD1-CD1 3.92Å; F68-L96 HydrophobicContact CG-CD1 4.25Å; L96-T98 HydrophobicContact CD2-CG2 4.18Å; L96-T98 HydrophobicContact CG-CG2 4.06Å; L96-Y107 HydrophobicContact CD2-CD2 4.33Å; L96-W258 CarbonylContact O-C 3.5Å; L96-W258 WeakPolarHBondContact O-CA 3.41Å; L96-A259 PolarHBondContact N-O 3.33Å; L96-A259 PolarHBondContact O-N 3.02Å; L96-M266 HydrophobicContact CB-CE 3.96Å; L96-M266 HydrophobicContact CB-SD 3.45Å; L96-M266 WeakPolarHBondContact CB-SD 3.31Å; L96-M266 HydrophobicContact CD2-SD 4.25Å; L96-M266 HydrophobicContact CG-SD 4.47Å; L96-L269 HydrophobicContact CD2-CB 3.79Å; L96-R270 HydrophobicContact CD1-CG 4.42Å; L96-H273 HydrophobicContact CD1-CB 4.14Å; L96-H273 HydrophobicContact CD2-CB 4.15Å
97	I	98.9	Very high	98.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	139.2	171.7	-52.8	-56.7	0	0	0	110.1	F68 L73 V74 L77 V95 T256 W258 H273 C280 Q285	F68-I97 PolarHBondContact O-N 3.09Å; F68-I97 VanDerWaalsContact O-N 3.15Å; L73-I97 HydrophobicContact CD2-CD1 3.69Å; L73-I97 HydrophobicContact CD2-CG1 3.99Å; L73-I97 HydrophobicContact CD2-CG2 4.27Å; L73-I97 HydrophobicContact CG-CD1 3.8Å; L73-I97 HydrophobicContact CG-CG1 4.35Å; V74-I97 HydrophobicContact CG1-CD1 4.06Å; V74-I97 HydrophobicContact CG1-CG1 3.79Å; L77-I97 HydrophobicContact CD1-CD1 3.56Å; V95-I97 HydrophobicContact CG1-CD1 4.39Å; I97-T256 HydrophobicContact CG2-CG2 4.03Å; I97-W258 HydrophobicContact CD1-CB 4.19Å; I97-H273 PolarHBondContact O-CE1 3.25Å; I97-H273 PolarHBondContact O-ND1 3.09Å; I97-C280 HydrophobicContact CG2-CB 4.24Å; I97-Q285 HydrophobicContact CG2-CG 4.06Å
98	T	98.8	Very high	98.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	164.9	-176.1	59.2	0	0	0	0	111.4	L96 G100 A104 Y107 G257 C280	L96-T98 HydrophobicContact CD2-CG2 4.18Å; L96-T98 HydrophobicContact CG-CG2 4.06Å; T98-G100 PolarHBondContact O-N 2.98Å; T98-G100 PolarHBondContact OG1-O 3.34Å; T98-G100 VanDerWaalsContact OG1-O 3.14Å; T98-A104 HydrophobicContact CG2-CB 4.06Å; T98-Y107 HydrophobicContact CG2-CD2 4.14Å; T98-Y107 HydrophobicContact CG2-CE2 4.23Å; T98-G257 PolarHBondContact N-O 3.27Å; T98-G257 PolarHBondContact O-N 3.39Å; T98-G257 PolarHBondContact OG1-O 3.08Å; T98-C280 VanDerWaalsContact C-SG 3.59Å
99	Q	97.9	Very high	98.6	Very high	67 Å²	67	24.5 Å²	24.5	31%	0.313	12%	0.122	S	C	.	.	S	Bend	trans	-73.7	61.9	174.3	-64.6	-74.2	4.3	0	0	111.4	Q103 K255	Q99-Q103 HydrophobicContact CB-CB 4.13Å; Q99-K255 CarbonylContact C-O 3.35Å; Q99-K255 WeakPolarHBondContact CA-O 3.33Å; Q99-K255 PolarHBondContact OE1-O 3.03Å
100	G	98	Very high	98.6	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.01	13%	0.131	C	C	.	.	S	Bend	trans	78.6	167.4	-173.5	0	0	0	0	0	112.1	T98 Y102 Q103 A104 K255	T98-G100 PolarHBondContact O-N 2.98Å; T98-G100 PolarHBondContact OG1-O 3.34Å; T98-G100 VanDerWaalsContact OG1-O 3.14Å; G100-Y102 PolarHBondContact O-N 2.98Å; G100-Y102 VanDerWaalsContact O-N 3.1Å; G100-Q103 PolarHBondContact O-N 3.14Å; G100-A104 PolarHBondContact O-N 2.64Å; G100-K255 VanDerWaalsContact N-C 3.35Å; G100-K255 PolarHBondContact N-O 3.39Å
101	A	98.5	Very high	98.5	Very high	11 Å²	11	25.2 Å²	25.2	9%	0.091	13%	0.126	C	C	.	.	H	α-helix	trans	-54.2	-31.8	177.3	0	0	0	0	0	113.3	Q103 A104 L105 V215 I242	A101-Q103 VanDerWaalsContact C-N 3.26Å; A101-Q103 PolarHBondContact O-N 3.48Å; A101-A104 WeakPolarHBondContact O-CB 3.06Å; A101-A104 PolarHBondContact O-N 3.24Å; A101-A104 VanDerWaalsContact O-N 3.07Å; A101-L105 WeakPolarHBondContact O-CG 3.13Å; A101-L105 PolarHBondContact O-N 3.3Å; A101-V215 HydrophobicContact CB-CG1 3.35Å; A101-I242 HydrophobicContact CB-CG2 3.49Å; A101-I242 VanDerWaalsContact CB-CG2 3.49Å
102	Y	98.3	Very high	98.5	Very high	94 Å²	94	24.8 Å²	24.8	37%	0.369	12%	0.122	S	C	.	.	H	α-helix	trans	-56.8	-38.7	177.7	-150	-77.4	0	0	0	112.9	G100 F106 F126 C128 Q132	G100-Y102 PolarHBondContact O-N 2.98Å; G100-Y102 VanDerWaalsContact O-N 3.1Å; Y102-F106 WeakPolarHBondContact O-CB 3.4Å; Y102-F106 PolarHBondContact O-N 3.25Å; Y102-F106 VanDerWaalsContact O-N 3.11Å; Y102-F126 AromaticContact CD2-CE1 3.96Å; Y102-F126 HydrophobicContact CD2-CE1 3.96Å; Y102-F126 HydrophobicContact CD2-CZ 4.42Å; Y102-F126 AromaticContact CE2-CE1 3.9Å; Y102-F126 HydrophobicContact CE2-CE1 3.9Å; Y102-F126 HydrophobicContact CE2-CZ 4.24Å; Y102-C128 HydrophobicContact CD2-CB 4.38Å; Y102-C128 HydrophobicContact CE1-CB 4.06Å; Y102-C128 HydrophobicContact CE2-CB 3.47Å; Y102-C128 VanDerWaalsContact CE2-CB 3.47Å; Y102-C128 WeakPolarHBondContact OH-CB 3.47Å; Y102-Q132 VanDerWaalsContact CE1-NE2 3.32Å
103	Q	98.4	Very high	98.5	Very high	24 Å²	24	21.8 Å²	21.8	11%	0.112	11%	0.106	C	C	.	.	H	α-helix	trans	-76.6	-35.7	176.4	-179.7	176.7	75	0	0	111.7	Q99 G100 A101 L105 F106 Y107	Q99-Q103 HydrophobicContact CB-CB 4.13Å; G100-Q103 PolarHBondContact O-N 3.14Å; A101-Q103 VanDerWaalsContact C-N 3.26Å; A101-Q103 PolarHBondContact O-N 3.48Å; Q103-L105 VanDerWaalsContact C-N 3.33Å; Q103-F106 PolarHBondContact O-N 3.2Å; Q103-Y107 VanDerWaalsContact CD-CZ 3.41Å; Q103-Y107 HydrophobicContact CG-CD1 4.3Å; Q103-Y107 HydrophobicContact CG-CD2 4Å; Q103-Y107 HydrophobicContact CG-CE1 3.86Å; Q103-Y107 HydrophobicContact CG-CE2 3.51Å; Q103-Y107 HydrophobicContact CG-CG 4.36Å; Q103-Y107 VanDerWaalsContact CG-CZ 3.44Å; Q103-Y107 PolarHBondContact NE2-OH 3.08Å; Q103-Y107 PolarHBondContact O-N 3.24Å
104	A	98.8	Very high	98.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.9	-44.4	173.1	0	0	0	0	0	111.4	T98 G100 A101 F106 Y107 S108 I242 A259	T98-A104 HydrophobicContact CG2-CB 4.06Å; G100-A104 PolarHBondContact O-N 2.64Å; A101-A104 WeakPolarHBondContact O-CB 3.06Å; A101-A104 PolarHBondContact O-N 3.24Å; A101-A104 VanDerWaalsContact O-N 3.07Å; A104-F106 PolarHBondContact O-N 3.13Å; A104-Y107 PolarHBondContact O-N 3.25Å; A104-S108 WeakPolarHBondContact O-CB 3.32Å; A104-S108 PolarHBondContact O-N 3.05Å; A104-S108 PolarHBondContact O-OG 2.92Å; A104-S108 VanDerWaalsContact O-OG 3.07Å; A104-I242 HydrophobicContact CB-CB 4.46Å; A104-I242 HydrophobicContact CB-CD1 3.88Å; A104-I242 HydrophobicContact CB-CG1 3.92Å; A104-I242 HydrophobicContact CB-CG2 3.78Å; A104-A259 HydrophobicContact CB-CB 4.31Å
105	L	98.8	Very high	98.4	Very high	2 Å²	2	29 Å²	29	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-59.4	-46	174.1	-71.2	162	0	0	0	111.6	A101 Q103 Y107 S108 A109 Y129 Q132 Y179 I211 D213 I242	A101-L105 WeakPolarHBondContact O-CG 3.13Å; A101-L105 PolarHBondContact O-N 3.3Å; Q103-L105 VanDerWaalsContact C-N 3.33Å; L105-Y107 PolarHBondContact O-N 3.19Å; L105-S108 WeakPolarHBondContact O-CB 3.5Å; L105-S108 PolarHBondContact O-N 3.45Å; L105-A109 PolarHBondContact O-N 3.02Å; L105-Y129 HydrophobicContact CD1-CD1 4.38Å; L105-Y129 HydrophobicContact CD1-CE1 3.77Å; L105-Y129 HydrophobicContact CD2-CD1 4.16Å; L105-Y129 HydrophobicContact CD2-CE1 3.69Å; L105-Y129 HydrophobicContact CG-CE1 4.36Å; L105-Q132 PolarHBondContact O-OE1 2.8Å; L105-Y179 HydrophobicContact CD2-CD1 4.26Å; L105-Y179 HydrophobicContact CD2-CE1 3.93Å; L105-I211 HydrophobicContact CD2-CG2 4.07Å; L105-D213 HydrophobicContact CD2-CB 4.3Å; L105-I242 HydrophobicContact CB-CD1 4.46Å; L105-I242 HydrophobicContact CD2-CD1 3.67Å; L105-I242 HydrophobicContact CG-CD1 3.82Å
106	F	98.6	Very high	98.2	Very high	50 Å²	50	31 Å²	31	22%	0.219	17%	0.166	C	C	.	.	H	α-helix	trans	-61.2	-44.9	178.3	178.5	-92.9	0	0	0	111.8	Y102 Q103 A104 A109 F110 Q132 M135 M272	Y102-F106 WeakPolarHBondContact O-CB 3.4Å; Y102-F106 PolarHBondContact O-N 3.25Å; Y102-F106 VanDerWaalsContact O-N 3.11Å; Q103-F106 PolarHBondContact O-N 3.2Å; A104-F106 PolarHBondContact O-N 3.13Å; F106-A109 PolarHBondContact O-N 2.61Å; F106-F110 HydrophobicContact CD1-CD2 4.38Å; F106-F110 HydrophobicContact CD2-CD2 4Å; F106-F110 AromaticContact CD2-CE2 3.89Å; F106-F110 HydrophobicContact CD2-CE2 3.89Å; F106-F110 HydrophobicContact CE1-CD2 4Å; F106-F110 HydrophobicContact CE1-CE2 4.27Å; F106-F110 HydrophobicContact CE1-CG 4.33Å; F106-F110 AromaticContact CE2-CD2 3.61Å; F106-F110 HydrophobicContact CE2-CD2 3.61Å; F106-F110 AromaticContact CE2-CE2 3.19Å; F106-F110 HydrophobicContact CE2-CE2 3.19Å; F106-F110 AromaticContact CE2-CZ 3.87Å; F106-F110 HydrophobicContact CE2-CZ 3.87Å; F106-F110 HydrophobicContact CG-CD2 4.37Å; F106-F110 AromaticContact CZ-CD2 3.6Å; F106-F110 HydrophobicContact CZ-CD2 3.6Å; F106-F110 HydrophobicContact CZ-CE1 4.34Å; F106-F110 AromaticContact CZ-CE2 3.41Å; F106-F110 HydrophobicContact CZ-CE2 3.41Å; F106-F110 VanDerWaalsContact CZ-CE2 3.41Å; F106-F110 HydrophobicContact CZ-CG 4.16Å; F106-F110 AromaticContact CZ-CZ 3.79Å; F106-F110 HydrophobicContact CZ-CZ 3.79Å; F106-F110 WeakPolarHBondContact O-CD2 3.46Å; F106-F110 PolarHBondContact O-N 3.34Å; F106-Q132 VanDerWaalsContact CA-OE1 3.25Å; F106-Q132 HydrophobicContact CD2-CG 4.24Å; F106-M135 HydrophobicContact CE2-CE 4.44Å; F106-M135 HydrophobicContact CE2-SD 3.9Å; F106-M272 HydrophobicContact CE1-CE 4.47Å
107	Y	98.7	Very high	98.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.9	-40.8	175.6	-68.4	-17.3	0	0	0	112.2	L96 T98 Q103 A104 L105 A109 F110 A111 M272 H273 C276 V277	L96-Y107 HydrophobicContact CD2-CD2 4.33Å; T98-Y107 HydrophobicContact CG2-CD2 4.14Å; T98-Y107 HydrophobicContact CG2-CE2 4.23Å; Q103-Y107 VanDerWaalsContact CD-CZ 3.41Å; Q103-Y107 HydrophobicContact CG-CD1 4.3Å; Q103-Y107 HydrophobicContact CG-CD2 4Å; Q103-Y107 HydrophobicContact CG-CE1 3.86Å; Q103-Y107 HydrophobicContact CG-CE2 3.51Å; Q103-Y107 HydrophobicContact CG-CG 4.36Å; Q103-Y107 VanDerWaalsContact CG-CZ 3.44Å; Q103-Y107 PolarHBondContact NE2-OH 3.08Å; Q103-Y107 PolarHBondContact O-N 3.24Å; A104-Y107 PolarHBondContact O-N 3.25Å; L105-Y107 PolarHBondContact O-N 3.19Å; Y107-A109 VanDerWaalsContact C-N 3.34Å; Y107-A109 PolarHBondContact O-N 3.22Å; Y107-F110 PolarHBondContact O-N 2.96Å; Y107-A111 WeakPolarHBondContact O-CB 3.47Å; Y107-A111 PolarHBondContact O-N 3.46Å; Y107-M272 HydrophobicContact CD1-CB 3.52Å; Y107-M272 HydrophobicContact CD1-CG 4.41Å; Y107-M272 HydrophobicContact CE1-CB 4.04Å; Y107-M272 HydrophobicContact CG-CB 3.8Å; Y107-H273 HydrophobicContact CD2-CB 4.3Å; Y107-H273 HydrophobicContact CE2-CB 3.66Å; Y107-H273 AromaticContact CE2-CG 3.91Å; Y107-H273 AromaticContact CE2-ND1 3.49Å; Y107-H273 WeakPolarHBondContact CE2-ND1 3.32Å; Y107-C276 HydrophobicContact CE1-CB 3.85Å; Y107-C276 WeakPolarHBondContact OH-CB 3.42Å; Y107-V277 WeakPolarHBondContact OH-CG2 3.37Å
108	S	98.6	Very high	98.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59	-44.6	175	-67.6	0	0	0	0	112	A104 L105 F112	A104-S108 WeakPolarHBondContact O-CB 3.32Å; A104-S108 PolarHBondContact O-N 3.05Å; A104-S108 PolarHBondContact O-OG 2.92Å; A104-S108 VanDerWaalsContact O-OG 3.07Å; L105-S108 WeakPolarHBondContact O-CB 3.5Å; L105-S108 PolarHBondContact O-N 3.45Å; S108-F112 VanDerWaalsContact O-CD2 3.3Å; S108-F112 WeakPolarHBondContact O-CD2 3.31Å; S108-F112 PolarHBondContact O-N 3.39Å
109	A	98.4	Very high	98.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.5	-55.9	176.1	0	0	0	0	0	111.3	L105 F106 Y107 A111 F112 I113 Q132 A136	L105-A109 PolarHBondContact O-N 3.02Å; F106-A109 PolarHBondContact O-N 2.61Å; Y107-A109 VanDerWaalsContact C-N 3.34Å; Y107-A109 PolarHBondContact O-N 3.22Å; A109-A111 VanDerWaalsContact C-N 3.32Å; A109-A111 PolarHBondContact O-N 2.76Å; A109-F112 PolarHBondContact O-N 3.02Å; A109-I113 HydrophobicContact CB-CD1 4.26Å; A109-I113 VanDerWaalsContact O-CB 3.28Å; A109-I113 WeakPolarHBondContact O-CB 3.5Å; A109-I113 PolarHBondContact O-N 3.23Å; A109-Q132 HydrophobicContact CB-CB 4.11Å; A109-A136 HydrophobicContact CB-CB 4.47Å
110	F	97.9	Very high	98.2	Very high	55 Å²	55	30.2 Å²	30.2	24%	0.241	16%	0.163	C	C	.	.	H	α-helix	trans	-70.6	-23.5	-175.1	-87.7	-102.2	0	0	0	114.6	F106 Y107 M135 A136 M272	F106-F110 HydrophobicContact CD1-CD2 4.38Å; F106-F110 HydrophobicContact CD2-CD2 4Å; F106-F110 AromaticContact CD2-CE2 3.89Å; F106-F110 HydrophobicContact CD2-CE2 3.89Å; F106-F110 HydrophobicContact CE1-CD2 4Å; F106-F110 HydrophobicContact CE1-CE2 4.27Å; F106-F110 HydrophobicContact CE1-CG 4.33Å; F106-F110 AromaticContact CE2-CD2 3.61Å; F106-F110 HydrophobicContact CE2-CD2 3.61Å; F106-F110 AromaticContact CE2-CE2 3.19Å; F106-F110 HydrophobicContact CE2-CE2 3.19Å; F106-F110 AromaticContact CE2-CZ 3.87Å; F106-F110 HydrophobicContact CE2-CZ 3.87Å; F106-F110 HydrophobicContact CG-CD2 4.37Å; F106-F110 AromaticContact CZ-CD2 3.6Å; F106-F110 HydrophobicContact CZ-CD2 3.6Å; F106-F110 HydrophobicContact CZ-CE1 4.34Å; F106-F110 AromaticContact CZ-CE2 3.41Å; F106-F110 HydrophobicContact CZ-CE2 3.41Å; F106-F110 VanDerWaalsContact CZ-CE2 3.41Å; F106-F110 HydrophobicContact CZ-CG 4.16Å; F106-F110 AromaticContact CZ-CZ 3.79Å; F106-F110 HydrophobicContact CZ-CZ 3.79Å; F106-F110 WeakPolarHBondContact O-CD2 3.46Å; F106-F110 PolarHBondContact O-N 3.34Å; Y107-F110 PolarHBondContact O-N 2.96Å; F110-M135 HydrophobicContact CE2-CB 4.17Å; F110-M135 HydrophobicContact CE2-CG 4.19Å; F110-M135 HydrophobicContact CE2-SD 4.06Å; F110-M135 HydrophobicContact CZ-CB 4.11Å; F110-M135 HydrophobicContact CZ-CE 4.15Å; F110-M135 HydrophobicContact CZ-CG 3.74Å; F110-M135 HydrophobicContact CZ-SD 3.87Å; F110-A136 HydrophobicContact CD2-CB 4.09Å; F110-A136 HydrophobicContact CE2-CB 4.17Å; F110-A136 HydrophobicContact CG-CB 4.33Å; F110-M272 HydrophobicContact CB-CE 3.52Å; F110-M272 HydrophobicContact CB-CG 4.36Å; F110-M272 HydrophobicContact CB-SD 3.88Å; F110-M272 HydrophobicContact CD1-CE 4.17Å; F110-M272 HydrophobicContact CG-CE 4.06Å
111	A	98.3	Very high	98.2	Very high	25 Å²	25	30.2 Å²	30.2	21%	0.207	16%	0.163	C	C	.	.	H	α-helix	trans	-75.7	-27.6	177.9	0	0	0	0	0	112.7	Y107 A109 H268 L269 M272	Y107-A111 WeakPolarHBondContact O-CB 3.47Å; Y107-A111 PolarHBondContact O-N 3.46Å; A109-A111 VanDerWaalsContact C-N 3.32Å; A109-A111 PolarHBondContact O-N 2.76Å; A111-H268 HydrophobicContact CB-CB 3.89Å; A111-L269 HydrophobicContact CB-CD1 4.24Å; A111-M272 HydrophobicContact CB-CG 4.17Å
112	F	98.5	Very high	98.3	Very high	23 Å²	23	30 Å²	30	10%	0.101	16%	0.16	C	C	.	.	H	α-helix	trans	-123.6	-21.9	-167.7	-65.5	-67.3	0	0	0	115.5	S108 A109 K176 L177 L209 V240 L265 H268 L269	S108-F112 VanDerWaalsContact O-CD2 3.3Å; S108-F112 WeakPolarHBondContact O-CD2 3.31Å; S108-F112 PolarHBondContact O-N 3.39Å; A109-F112 PolarHBondContact O-N 3.02Å; F112-K176 WeakPolarHBondContact O-CE 3.39Å; F112-K176 WeakPolarHBondContact O-CG 3.42Å; F112-L177 HydrophobicContact CB-CD2 4.24Å; F112-L209 HydrophobicContact CB-CD2 3.87Å; F112-L209 HydrophobicContact CD1-CD2 3.94Å; F112-L209 HydrophobicContact CD2-CD2 3.23Å; F112-L209 HydrophobicContact CE1-CD2 4.29Å; F112-L209 HydrophobicContact CE2-CD2 3.63Å; F112-L209 HydrophobicContact CG-CD2 3.4Å; F112-L209 VanDerWaalsContact CG-CD2 3.4Å; F112-L209 HydrophobicContact CZ-CD2 4.16Å; F112-V240 HydrophobicContact CE2-CG2 4.3Å; F112-L265 HydrophobicContact CE1-CD2 3.89Å; F112-L265 HydrophobicContact CZ-CB 3.98Å; F112-L265 HydrophobicContact CZ-CD2 3.88Å; F112-L265 HydrophobicContact CZ-CG 4.47Å; F112-H268 HydrophobicContact CE1-CB 4.29Å; F112-H268 AromaticContact CE1-CD2 3.74Å; F112-H268 HydrophobicContact CZ-CB 4.23Å; F112-L269 HydrophobicContact CD2-CD1 4.48Å; F112-L269 HydrophobicContact CE2-CD1 3.48Å; F112-L269 VanDerWaalsContact CE2-CD1 3.48Å; F112-L269 HydrophobicContact CZ-CD1 3.99Å
113	I	98.6	Very high	98.3	Very high	9 Å²	9	25.5 Å²	25.5	5%	0.046	14%	0.142	C	C	.	.			trans	-91.3	128.5	-179.8	-65.1	173.4	0	0	0	110	A109 D117 A119 V133 A136 L177	A109-I113 HydrophobicContact CB-CD1 4.26Å; A109-I113 VanDerWaalsContact O-CB 3.28Å; A109-I113 WeakPolarHBondContact O-CB 3.5Å; A109-I113 PolarHBondContact O-N 3.23Å; I113-D117 HydrophobicContact CG2-CB 4.27Å; I113-A119 HydrophobicContact CD1-CB 4.09Å; I113-V133 HydrophobicContact CD1-CB 4.19Å; I113-V133 HydrophobicContact CD1-CG1 4.17Å; I113-V133 HydrophobicContact CD1-CG2 3.77Å; I113-A136 HydrophobicContact CB-CB 3.93Å; I113-A136 HydrophobicContact CG2-CB 3.9Å; I113-L177 HydrophobicContact CD1-CD2 3.97Å; I113-L177 HydrophobicContact CD1-CG 4.45Å; I113-L177 HydrophobicContact CG1-CD2 3.73Å; I113-L177 HydrophobicContact CG1-CG 4.36Å
114	N	96.8	Very high	98.3	Very high	104 Å²	104	24.3 Å²	24.3	56%	0.556	14%	0.137	S	C	*	.			trans	-104.2	170.5	165.6	-61.1	-77.4	0	0	0	111.3	G116 D117	N114-G116 PolarHBondContact O-N 3.34Å; N114-G116 VanDerWaalsContact O-N 3.14Å; N114-D117 WeakPolarHBondContact CB-OD2 3.48Å; N114-D117 PolarHBondContact N-OD2 3.19Å; N114-D117 PolarHBondContact ND2-OD2 2.86Å; N114-D117 WeakPolarHBondContact O-CB 3.43Å; N114-D117 PolarHBondContact O-N 3.47Å; N114-D117 VanDerWaalsContact O-N 3.08Å
115	N	96.9	Very high	98.2	Very high	145 Å²	145	24.6 Å²	24.6	78%	0.775	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	120	172.2	-72.3	-32.7	0	0	0	111.1	G137	N115-G137 WeakPolarHBondContact CA-O 3.43Å; N115-G137 WeakPolarHBondContact OD1-CA 3.27Å
116	G	94.9	Very high	98.2	Very high	42 Å²	42	26.3 Å²	26.3	43%	0.433	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	-5.4	178.3	0	0	0	0	0	115.3	N114 G137	N114-G116 PolarHBondContact O-N 3.34Å; N114-G116 VanDerWaalsContact O-N 3.14Å; G116-G137 PolarHBondContact N-O 2.89Å; G116-G137 VanDerWaalsContact N-O 3.11Å
117	D	98.7	Very high	97.9	Very high	33 Å²	33	25 Å²	25	18%	0.176	14%	0.141	C	C	.	.			trans	-66.2	149.9	169.2	-72.5	-15	0	0	0	110.1	I113 N114 G138 K139 K176	I113-D117 HydrophobicContact CG2-CB 4.27Å; N114-D117 WeakPolarHBondContact CB-OD2 3.48Å; N114-D117 PolarHBondContact N-OD2 3.19Å; N114-D117 PolarHBondContact ND2-OD2 2.86Å; N114-D117 WeakPolarHBondContact O-CB 3.43Å; N114-D117 PolarHBondContact O-N 3.47Å; N114-D117 VanDerWaalsContact O-N 3.08Å; D117-G138 CarbonylContact O-C 3.58Å; D117-G138 VanDerWaalsContact O-CA 3.22Å; D117-G138 WeakPolarHBondContact O-CA 3.32Å; D117-K139 PolarHBondContact O-N 3.4Å; D117-K176 HydrophobicContact CB-CB 4.01Å
118	E	98.9	Very high	97.8	Very high	16 Å²	16	25 Å²	25	8%	0.075	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	138.3	176.7	-69.8	-179.1	154	0	0	110.8	K139 V141 T172 K174 K176	E118-K139 WeakPolarHBondContact CA-O 3.39Å; E118-K139 HydrophobicContact CG-CB 4.25Å; E118-K139 HydrophobicContact CG-CD 4.27Å; E118-K139 IonicContact OE1-NZ 2.83Å; E118-K139 PolarHBondContact OE1-NZ 2.86Å; E118-V141 HydrophobicContact CB-CG2 3.88Å; E118-V141 HydrophobicContact CG-CG2 3.91Å; E118-T172 WeakPolarHBondContact OE2-CG2 3.35Å; E118-T172 PolarHBondContact OE2-OG1 3.26Å; E118-K174 HydrophobicContact CB-CB 4.38Å; E118-K174 HydrophobicContact CG-CB 3.99Å; E118-K174 PolarHBondContact N-O 3.45Å; E118-K176 PolarHBondContact O-N 2.97Å
119	A	98.9	Very high	97.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.4	174.6	0	0	0	0	0	109.5	I113 V133 K139 P140 V141 L177 Y179	I113-A119 HydrophobicContact CD1-CB 4.09Å; A119-V133 HydrophobicContact CB-CB 4.39Å; A119-V133 HydrophobicContact CB-CG1 3.8Å; A119-V133 HydrophobicContact CB-CG2 3.59Å; A119-K139 PolarHBondContact N-O 2.76Å; A119-P140 WeakPolarHBondContact O-CA 3.47Å; A119-V141 PolarHBondContact O-N 2.76Å; A119-L177 CarbonylContact C-O 3.57Å; A119-L177 WeakPolarHBondContact CA-O 3.39Å; A119-L177 HydrophobicContact CB-CD1 3.59Å; A119-L177 HydrophobicContact CB-CG 4.11Å; A119-Y179 HydrophobicContact CB-CE2 4.46Å
120	I	98.9	Very high	97.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	129.8	176.3	-65.7	171.7	0	0	0	109.2	V141 V143 L167 V170 V171 T175 L177 L178 Y179 L208	I120-V141 CarbonylContact C-O 3.5Å; I120-V141 VanDerWaalsContact CA-O 3.3Å; I120-V141 WeakPolarHBondContact CA-O 3.24Å; I120-V143 HydrophobicContact CG2-CG2 4.1Å; I120-L167 HydrophobicContact CD1-CD1 4.39Å; I120-L167 HydrophobicContact CG2-CD1 3.76Å; I120-V170 HydrophobicContact CD1-CG2 3.89Å; I120-V170 HydrophobicContact CG1-CG2 4.15Å; I120-V171 HydrophobicContact CD1-CG2 3.8Å; I120-T175 HydrophobicContact CD1-CG2 3.62Å; I120-T175 HydrophobicContact CG1-CG2 3.78Å; I120-L177 PolarHBondContact N-O 3.27Å; I120-L178 HydrophobicContact CB-CB 4.2Å; I120-L178 HydrophobicContact CB-CD1 4.32Å; I120-L178 HydrophobicContact CB-CG 4.24Å; I120-L178 HydrophobicContact CG2-CD1 3.99Å; I120-L178 HydrophobicContact CG2-CG 4.16Å; I120-L178 WeakPolarHBondContact O-CA 3.5Å; I120-Y179 PolarHBondContact O-N 3.43Å; I120-L208 HydrophobicContact CD1-CD1 4.43Å
121	I	98.9	Very high	97.6	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	118.6	176	-62.8	178.2	0	0	0	108	Y125 Y129 E130 V133 P140 V141 F142 V143 Y179	I121-Y125 VanDerWaalsContact CG2-CB 3.42Å; I121-Y125 HydrophobicContact CG2-CD1 3.43Å; I121-Y125 VanDerWaalsContact CG2-CD1 3.43Å; I121-Y125 HydrophobicContact CG2-CD2 4.09Å; I121-Y125 HydrophobicContact CG2-CE1 4.18Å; I121-Y125 HydrophobicContact CG2-CG 3.39Å; I121-Y129 HydrophobicContact CG2-CD2 4.39Å; I121-E130 HydrophobicContact CD1-CB 4.26Å; I121-V133 HydrophobicContact CD1-CG2 4.32Å; I121-P140 HydrophobicContact CD1-CB 3.72Å; I121-V141 PolarHBondContact N-O 2.99Å; I121-F142 HydrophobicContact CB-CD1 3.96Å; I121-F142 HydrophobicContact CB-CE1 4.21Å; I121-F142 HydrophobicContact CD1-CE1 4.09Å; I121-F142 HydrophobicContact CG2-CD1 4.13Å; I121-F142 HydrophobicContact CG2-CE1 4.28Å; I121-F142 WeakPolarHBondContact O-CA 3.23Å; I121-V143 PolarHBondContact O-N 3.31Å; I121-Y179 HydrophobicContact CG1-CD2 3.98Å
122	I	98.8	Very high	97.5	Very high	6 Å²	6	25.4 Å²	25.4	3%	0.031	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.1	176.4	-58.4	170	0	0	0	108.9	P124 Y125 V143 L145 L162 L178 M184 Y191	I122-P124 CarbonylContact O-C 3.56Å; I122-Y125 WeakPolarHBondContact O-CB 3.25Å; I122-V143 CarbonylContact C-O 3.58Å; I122-V143 VanDerWaalsContact CA-O 3.29Å; I122-V143 WeakPolarHBondContact CA-O 3.46Å; I122-L145 HydrophobicContact CG2-CD1 4.42Å; I122-L145 HydrophobicContact CG2-CD2 3.83Å; I122-L145 HydrophobicContact CG2-CG 3.8Å; I122-L162 HydrophobicContact CD1-CD2 4.25Å; I122-L162 HydrophobicContact CG2-CD1 4.29Å; I122-L178 HydrophobicContact CD1-CD2 4.5Å; I122-M184 HydrophobicContact CG2-CE 4.1Å; I122-Y191 WeakPolarHBondContact CG2-OH 3.35Å
123	E	98.7	Very high	97.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	145.9	178.7	-71.2	163	141.3	0	0	112.5	Y125 F142 V143 P144 L145 Y387 S388 H391	E123-Y125 HydrophobicContact CB-CD1 4.34Å; E123-Y125 HydrophobicContact CG-CD1 3.43Å; E123-Y125 VanDerWaalsContact CG-CD1 3.43Å; E123-Y125 HydrophobicContact CG-CE1 3.59Å; E123-F142 HydrophobicContact CG-CB 4.33Å; E123-F142 HydrophobicContact CG-CD1 4.21Å; E123-V143 PolarHBondContact N-O 2.9Å; E123-P144 HydrophobicContact CB-CB 4.22Å; E123-L145 WeakPolarHBondContact O-CB 2.99Å; E123-L145 VanDerWaalsContact O-CG 3.27Å; E123-L145 WeakPolarHBondContact O-CG 2.98Å; E123-L145 PolarHBondContact O-N 3.11Å; E123-Y387 HydrophobicContact CB-CD1 3.68Å; E123-Y387 HydrophobicContact CB-CE1 3.74Å; E123-Y387 HydrophobicContact CG-CD1 4.06Å; E123-S388 WeakPolarHBondContact OE1-CA 3.46Å; E123-S388 WeakPolarHBondContact OE1-CB 3.37Å; E123-S388 PolarHBondContact OE1-N 3.12Å; E123-S388 PolarHBondContact OE1-OG 3.02Å; E123-H391 IonicContact OE1-ND1 3.12Å; E123-H391 IonicContact OE2-CE1 3.38Å; E123-H391 IonicContact OE2-CG 2.71Å; E123-H391 IonicContact OE2-ND1 2.74Å; E123-H391 PolarHBondContact OE2-ND1 3.04Å
124	P	98.3	Very high	97.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.157	C	C	.	.	S	Bend	cis	-71.3	142.6	-4.5	31	-36.4	0	0	0	111.7	I122 M184 P186 T187 M383 F386 Y387	I122-P124 CarbonylContact O-C 3.56Å; P124-M184 HydrophobicContact CG-SD 4.24Å; P124-M184 WeakPolarHBondContact O-CE 3.4Å; P124-P186 HydrophobicContact CB-CG 3.82Å; P124-P186 HydrophobicContact CG-CG 3.92Å; P124-T187 HydrophobicContact CG-CG2 3.37Å; P124-M383 HydrophobicContact CB-CE 3.8Å; P124-M383 HydrophobicContact CG-CE 3.54Å; P124-F386 CarbonylContact C-O 3.57Å; P124-F386 VanDerWaalsContact CA-O 3.23Å; P124-F386 WeakPolarHBondContact CA-O 3.4Å; P124-F386 HydrophobicContact CB-CB 3.84Å; P124-Y387 HydrophobicContact CB-CD2 4.21Å; P124-Y387 HydrophobicContact CB-CE1 4.43Å; P124-Y387 HydrophobicContact CB-CE2 3.72Å; P124-Y387 HydrophobicContact CG-CE2 4.43Å
125	Y	98.1	Very high	97.3	Very high	5 Å²	5	27 Å²	27	2%	0.02	14%	0.142	C	C	.	.			trans	-113.7	155.6	-177	53.6	-88.5	0	0	0	112.2	I121 I122 E123 D127 E130 F142 F386 S388	I121-Y125 VanDerWaalsContact CG2-CB 3.42Å; I121-Y125 HydrophobicContact CG2-CD1 3.43Å; I121-Y125 VanDerWaalsContact CG2-CD1 3.43Å; I121-Y125 HydrophobicContact CG2-CD2 4.09Å; I121-Y125 HydrophobicContact CG2-CE1 4.18Å; I121-Y125 HydrophobicContact CG2-CG 3.39Å; I122-Y125 WeakPolarHBondContact O-CB 3.25Å; E123-Y125 HydrophobicContact CB-CD1 4.34Å; E123-Y125 HydrophobicContact CG-CD1 3.43Å; E123-Y125 VanDerWaalsContact CG-CD1 3.43Å; E123-Y125 HydrophobicContact CG-CE1 3.59Å; Y125-D127 PolarHBondContact O-N 2.89Å; Y125-E130 HydrophobicContact CE2-CB 3.81Å; Y125-E130 PolarHBondContact OH-OE2 2.84Å; Y125-F142 HydrophobicContact CD1-CD1 4.34Å; Y125-F142 HydrophobicContact CD1-CE1 4.39Å; Y125-F142 AromaticContact CE1-CD1 3.8Å; Y125-F142 HydrophobicContact CE1-CD1 3.8Å; Y125-F142 AromaticContact CE1-CE1 3.62Å; Y125-F142 HydrophobicContact CE1-CE1 3.62Å; Y125-F142 AromaticContact CZ-CE1 3.79Å; Y125-F386 VanDerWaalsContact CD1-O 3.31Å; Y125-F386 WeakPolarHBondContact CD1-O 3.24Å; Y125-F386 WeakPolarHBondContact CE1-O 3.21Å; Y125-F386 PolarHBondContact N-O 3.42Å; Y125-F386 VanDerWaalsContact O-CB 3.31Å; Y125-F386 WeakPolarHBondContact O-CB 3.47Å; Y125-F386 WeakPolarHBondContact O-CD1 3.25Å; Y125-S388 WeakPolarHBondContact OH-CA 3.03Å; Y125-S388 PolarHBondContact OH-N 3.04Å
126	F	97.2	Very high	97.3	Very high	39 Å²	39	20.7 Å²	20.7	17%	0.171	11%	0.11	C	C	.	.			trans	-65.1	126.4	165.5	-175	-120.5	0	0	0	109.8	W18 Y102 C128 Y129 N185	W18-F126 HydrophobicContact CZ2-CE2 4.25Å; Y102-F126 AromaticContact CD2-CE1 3.96Å; Y102-F126 HydrophobicContact CD2-CE1 3.96Å; Y102-F126 HydrophobicContact CD2-CZ 4.42Å; Y102-F126 AromaticContact CE2-CE1 3.9Å; Y102-F126 HydrophobicContact CE2-CE1 3.9Å; Y102-F126 HydrophobicContact CE2-CZ 4.24Å; F126-C128 HydrophobicContact CD1-CB 4.37Å; F126-C128 WeakPolarHBondContact CD1-SG 3.28Å; F126-C128 HydrophobicContact CE1-CB 4.22Å; F126-C128 VanDerWaalsContact CE1-SG 3.52Å; F126-C128 PolarHBondContact O-N 2.9Å; F126-Y129 HydrophobicContact CB-CE1 3.93Å; F126-Y129 HydrophobicContact CB-CE2 4.02Å; F126-Y129 HydrophobicContact CD1-CE1 4.09Å; F126-Y129 PolarHBondContact O-N 3.07Å; F126-Y129 VanDerWaalsContact O-N 3.12Å; F126-N185 WeakPolarHBondContact CD2-ND2 3.27Å
127	D	93.7	Very high	97.4	Very high	22 Å²	22	19.9 Å²	19.9	12%	0.118	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-23.7	-160.3	60.6	-71.7	0	0	0	115	W18 Y125 Y129 P131	W18-D127 WeakPolarHBondContact CZ2-OD1 3.14Å; W18-D127 PolarHBondContact NE1-OD1 2.81Å; W18-D127 PolarHBondContact NE1-OD2 2.92Å; Y125-D127 PolarHBondContact O-N 2.89Å; D127-Y129 PolarHBondContact O-N 2.88Å; D127-P131 WeakPolarHBondContact O-CD 3.28Å
128	C	95.9	Very high	97.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-15.6	-176.4	78.4	0	0	0	0	115.3	Y102 F126 P131 Q132	Y102-C128 HydrophobicContact CD2-CB 4.38Å; Y102-C128 HydrophobicContact CE1-CB 4.06Å; Y102-C128 HydrophobicContact CE2-CB 3.47Å; Y102-C128 VanDerWaalsContact CE2-CB 3.47Å; Y102-C128 WeakPolarHBondContact OH-CB 3.47Å; F126-C128 HydrophobicContact CD1-CB 4.37Å; F126-C128 WeakPolarHBondContact CD1-SG 3.28Å; F126-C128 HydrophobicContact CE1-CB 4.22Å; F126-C128 VanDerWaalsContact CE1-SG 3.52Å; F126-C128 PolarHBondContact O-N 2.9Å; C128-P131 WeakPolarHBondContact O-CD 3.42Å; C128-P131 WeakPolarHBondContact O-CG 3.26Å; C128-Q132 WeakPolarHBondContact O-CB 3.38Å; C128-Q132 WeakPolarHBondContact O-CG 3.44Å; C128-Q132 PolarHBondContact O-N 3.07Å
129	Y	98.1	Very high	97.3	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-62.8	-48.2	-177	-56.1	-17.3	0	0	0	111	L105 I121 F126 D127 Q132 V133 Y179 N181 D213	L105-Y129 HydrophobicContact CD1-CD1 4.38Å; L105-Y129 HydrophobicContact CD1-CE1 3.77Å; L105-Y129 HydrophobicContact CD2-CD1 4.16Å; L105-Y129 HydrophobicContact CD2-CE1 3.69Å; L105-Y129 HydrophobicContact CG-CE1 4.36Å; I121-Y129 HydrophobicContact CG2-CD2 4.39Å; F126-Y129 HydrophobicContact CB-CE1 3.93Å; F126-Y129 HydrophobicContact CB-CE2 4.02Å; F126-Y129 HydrophobicContact CD1-CE1 4.09Å; F126-Y129 PolarHBondContact O-N 3.07Å; F126-Y129 VanDerWaalsContact O-N 3.12Å; D127-Y129 PolarHBondContact O-N 2.88Å; Y129-Q132 PolarHBondContact O-N 2.65Å; Y129-V133 VanDerWaalsContact O-CG2 3.27Å; Y129-V133 WeakPolarHBondContact O-CG2 3.42Å; Y129-V133 PolarHBondContact O-N 2.87Å; Y129-Y179 HydrophobicContact CD1-CD1 4.04Å; Y129-Y179 HydrophobicContact CD1-CE1 4.16Å; Y129-Y179 HydrophobicContact CD2-CD1 4.22Å; Y129-Y179 HydrophobicContact CD2-CG 4.14Å; Y129-Y179 HydrophobicContact CE1-CD1 4.37Å; Y129-Y179 AromaticContact CG-CD1 3.98Å; Y129-Y179 HydrophobicContact CG-CD1 3.98Å; Y129-Y179 HydrophobicContact CG-CE1 4.34Å; Y129-Y179 HydrophobicContact CG-CG 4.13Å; Y129-N181 HydrophobicContact CE2-CB 4.27Å; Y129-N181 WeakPolarHBondContact OH-CB 3.28Å; Y129-D213 WeakPolarHBondContact OH-CB 3.5Å; Y129-D213 VanDerWaalsContact OH-CG 3.32Å; Y129-D213 PolarHBondContact OH-OD2 3.19Å
130	E	96.8	Very high	97.3	Very high	41 Å²	41	23.9 Å²	23.9	19%	0.192	12%	0.121	C	C	.	.	H	α-helix	trans	-57.8	-57.9	178.6	172.7	176.8	-162.2	0	0	113.7	I121 Y125 Q132 V133 R134 P140 F142	I121-E130 HydrophobicContact CD1-CB 4.26Å; Y125-E130 HydrophobicContact CE2-CB 3.81Å; Y125-E130 PolarHBondContact OH-OE2 2.84Å; E130-Q132 VanDerWaalsContact C-N 3.25Å; E130-Q132 PolarHBondContact O-N 3.45Å; E130-V133 PolarHBondContact O-N 2.78Å; E130-R134 HydrophobicContact CG-CG 4.49Å; E130-R134 WeakPolarHBondContact O-CG 3.48Å; E130-R134 PolarHBondContact O-N 2.81Å; E130-R134 IonicContact OE1-CZ 3.94Å; E130-R134 VanDerWaalsContact OE1-CZ 3.24Å; E130-R134 IonicContact OE1-NE 3.39Å; E130-R134 PolarHBondContact OE1-NE 3.18Å; E130-R134 IonicContact OE1-NH2 3.73Å; E130-R134 PolarHBondContact OE1-NH2 2.8Å; E130-P140 HydrophobicContact CG-CG 4.18Å; E130-F142 HydrophobicContact CB-CE1 4.45Å; E130-F142 HydrophobicContact CB-CZ 4.45Å; E130-F142 HydrophobicContact CG-CZ 4.13Å
131	P	95.7	Very high	97.2	Very high	36 Å²	36	24.9 Å²	24.9	23%	0.234	13%	0.127	C	C	.	.	H	α-helix	trans	-63.9	-32.2	-176.8	24.9	-35.2	0	0	0	111.8	N13 D127 C128 R134 M135	N13-P131 WeakPolarHBondContact OD1-CB 3.34Å; D127-P131 WeakPolarHBondContact O-CD 3.28Å; C128-P131 WeakPolarHBondContact O-CD 3.42Å; C128-P131 WeakPolarHBondContact O-CG 3.26Å; P131-R134 PolarHBondContact O-N 3.36Å; P131-M135 WeakPolarHBondContact O-CB 3.23Å; P131-M135 PolarHBondContact O-N 2.82Å
132	Q	96.8	Very high	97.2	Very high	8 Å²	8	26.6 Å²	26.6	4%	0.037	13%	0.134	C	C	.	.	H	α-helix	trans	-68.5	-42.5	176.3	-70.1	179.3	14.2	0	0	112.4	Y102 L105 F106 A109 C128 Y129 E130 M135 A136	Y102-Q132 VanDerWaalsContact CE1-NE2 3.32Å; L105-Q132 PolarHBondContact O-OE1 2.8Å; F106-Q132 VanDerWaalsContact CA-OE1 3.25Å; F106-Q132 HydrophobicContact CD2-CG 4.24Å; A109-Q132 HydrophobicContact CB-CB 4.11Å; C128-Q132 WeakPolarHBondContact O-CB 3.38Å; C128-Q132 WeakPolarHBondContact O-CG 3.44Å; C128-Q132 PolarHBondContact O-N 3.07Å; Y129-Q132 PolarHBondContact O-N 2.65Å; E130-Q132 VanDerWaalsContact C-N 3.25Å; E130-Q132 PolarHBondContact O-N 3.45Å; Q132-M135 PolarHBondContact O-N 3.26Å; Q132-A136 WeakPolarHBondContact O-CB 3.42Å; Q132-A136 PolarHBondContact O-N 3.18Å
133	V	97.7	Very high	97.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.3	-50.1	172.5	167.2	0	0	0	0	110.5	I113 A119 I121 Y129 E130 M135 A136 G137 G138 P140 Y179	I113-V133 HydrophobicContact CD1-CB 4.19Å; I113-V133 HydrophobicContact CD1-CG1 4.17Å; I113-V133 HydrophobicContact CD1-CG2 3.77Å; A119-V133 HydrophobicContact CB-CB 4.39Å; A119-V133 HydrophobicContact CB-CG1 3.8Å; A119-V133 HydrophobicContact CB-CG2 3.59Å; I121-V133 HydrophobicContact CD1-CG2 4.32Å; Y129-V133 VanDerWaalsContact O-CG2 3.27Å; Y129-V133 WeakPolarHBondContact O-CG2 3.42Å; Y129-V133 PolarHBondContact O-N 2.87Å; E130-V133 PolarHBondContact O-N 2.78Å; V133-M135 VanDerWaalsContact C-N 3.34Å; V133-M135 PolarHBondContact O-N 3.32Å; V133-A136 PolarHBondContact O-N 2.87Å; V133-G137 PolarHBondContact O-N 3.26Å; V133-G138 PolarHBondContact O-N 2.76Å; V133-P140 HydrophobicContact CG1-CB 4.16Å; V133-Y179 HydrophobicContact CG2-CE2 3.6Å
134	R	96.4	Very high	97.2	Very high	120 Å²	120	26.3 Å²	26.3	45%	0.453	13%	0.133	S	C	.	.	H	α-helix	trans	-61.5	-42.4	179.6	-68.4	-178.8	-175.2	-69.9	0.7	111.8	E130 P131 A136 G137 P140	E130-R134 HydrophobicContact CG-CG 4.49Å; E130-R134 WeakPolarHBondContact O-CG 3.48Å; E130-R134 PolarHBondContact O-N 2.81Å; E130-R134 IonicContact OE1-CZ 3.94Å; E130-R134 VanDerWaalsContact OE1-CZ 3.24Å; E130-R134 IonicContact OE1-NE 3.39Å; E130-R134 PolarHBondContact OE1-NE 3.18Å; E130-R134 IonicContact OE1-NH2 3.73Å; E130-R134 PolarHBondContact OE1-NH2 2.8Å; P131-R134 PolarHBondContact O-N 3.36Å; R134-A136 VanDerWaalsContact C-N 3.29Å; R134-A136 PolarHBondContact O-N 2.66Å; R134-G137 PolarHBondContact O-N 2.88Å; R134-P140 HydrophobicContact CG-CG 4.15Å
135	M	95.8	Very high	97.2	Very high	48 Å²	48	26.5 Å²	26.5	24%	0.236	13%	0.134	C	C	.	.	H	α-helix	trans	-67.1	-30.5	-179.9	-163.3	-168.4	170.8	0	0	112.5	R9 L10 F106 F110 P131 Q132 V133 G137	R9-M135 HydrophobicContact CB-CG 4.27Å; R9-M135 HydrophobicContact CG-CE 4.49Å; R9-M135 HydrophobicContact CG-CG 4.2Å; R9-M135 WeakPolarHBondContact O-CG 3.45Å; L10-M135 HydrophobicContact CD2-CE 3.74Å; L10-M135 HydrophobicContact CD2-SD 4.45Å; F106-M135 HydrophobicContact CE2-CE 4.44Å; F106-M135 HydrophobicContact CE2-SD 3.9Å; F110-M135 HydrophobicContact CE2-CB 4.17Å; F110-M135 HydrophobicContact CE2-CG 4.19Å; F110-M135 HydrophobicContact CE2-SD 4.06Å; F110-M135 HydrophobicContact CZ-CB 4.11Å; F110-M135 HydrophobicContact CZ-CE 4.15Å; F110-M135 HydrophobicContact CZ-CG 3.74Å; F110-M135 HydrophobicContact CZ-SD 3.87Å; P131-M135 WeakPolarHBondContact O-CB 3.23Å; P131-M135 PolarHBondContact O-N 2.82Å; Q132-M135 PolarHBondContact O-N 3.26Å; V133-M135 VanDerWaalsContact C-N 3.34Å; V133-M135 PolarHBondContact O-N 3.32Å; M135-G137 PolarHBondContact O-N 2.74Å
136	A	96.7	Very high	97.1	Very high	14 Å²	14	30.6 Å²	30.6	12%	0.116	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-6.6	171.4	0	0	0	0	0	113.4	A109 F110 I113 Q132 V133 R134	A109-A136 HydrophobicContact CB-CB 4.47Å; F110-A136 HydrophobicContact CD2-CB 4.09Å; F110-A136 HydrophobicContact CE2-CB 4.17Å; F110-A136 HydrophobicContact CG-CB 4.33Å; I113-A136 HydrophobicContact CB-CB 3.93Å; I113-A136 HydrophobicContact CG2-CB 3.9Å; Q132-A136 WeakPolarHBondContact O-CB 3.42Å; Q132-A136 PolarHBondContact O-N 3.18Å; V133-A136 PolarHBondContact O-N 2.87Å; R134-A136 VanDerWaalsContact C-N 3.29Å; R134-A136 PolarHBondContact O-N 2.66Å
137	G	96.1	Very high	97	Very high	25 Å²	25	30.7 Å²	30.7	26%	0.258	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	2.5	-179.5	0	0	0	0	0	114.7	N115 G116 V133 R134 M135	N115-G137 WeakPolarHBondContact CA-O 3.43Å; N115-G137 WeakPolarHBondContact OD1-CA 3.27Å; G116-G137 PolarHBondContact N-O 2.89Å; G116-G137 VanDerWaalsContact N-O 3.11Å; V133-G137 PolarHBondContact O-N 3.26Å; R134-G137 PolarHBondContact O-N 2.88Å; M135-G137 PolarHBondContact O-N 2.74Å
138	G	97.7	Very high	96.9	Very high	9 Å²	9	35.8 Å²	35.8	9%	0.093	17%	0.169	C	C	.	.			trans	-81.8	166.8	178.5	0	0	0	0	0	113.3	D117 V133	D117-G138 CarbonylContact O-C 3.58Å; D117-G138 VanDerWaalsContact O-CA 3.22Å; D117-G138 WeakPolarHBondContact O-CA 3.32Å; V133-G138 PolarHBondContact O-N 2.76Å
139	K	97.9	Very high	96.2	Very high	115 Å²	115	40.6 Å²	40.6	50%	0.5	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	115.7	172.7	178.4	-173.3	162.3	-149.2	0	109.2	D117 E118 A119	D117-K139 PolarHBondContact O-N 3.4Å; E118-K139 WeakPolarHBondContact CA-O 3.39Å; E118-K139 HydrophobicContact CG-CB 4.25Å; E118-K139 HydrophobicContact CG-CD 4.27Å; E118-K139 IonicContact OE1-NZ 2.83Å; E118-K139 PolarHBondContact OE1-NZ 2.86Å; A119-K139 PolarHBondContact N-O 2.76Å
140	P	98.4	Very high	94.8	Very high	9 Å²	9	43.9 Å²	43.9	6%	0.058	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	136.1	171.4	29.6	-33.3	0	0	0	109.7	A119 I121 E130 V133 R134 F142	A119-P140 WeakPolarHBondContact O-CA 3.47Å; I121-P140 HydrophobicContact CD1-CB 3.72Å; E130-P140 HydrophobicContact CG-CG 4.18Å; V133-P140 HydrophobicContact CG1-CB 4.16Å; R134-P140 HydrophobicContact CG-CG 4.15Å; P140-F142 HydrophobicContact CB-CE1 4.02Å; P140-F142 HydrophobicContact CB-CE2 4.05Å; P140-F142 HydrophobicContact CB-CZ 3.59Å; P140-F142 HydrophobicContact CG-CE2 4.06Å; P140-F142 HydrophobicContact CG-CZ 3.77Å
141	V	98.7	Very high	93.4	Very high	20 Å²	20	51.5 Å²	51.5	12%	0.121	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	117.6	176.8	-180	0	0	0	0	107.4	E118 A119 I120 I121 V170	E118-V141 HydrophobicContact CB-CG2 3.88Å; E118-V141 HydrophobicContact CG-CG2 3.91Å; A119-V141 PolarHBondContact O-N 2.76Å; I120-V141 CarbonylContact C-O 3.5Å; I120-V141 VanDerWaalsContact CA-O 3.3Å; I120-V141 WeakPolarHBondContact CA-O 3.24Å; I121-V141 PolarHBondContact N-O 2.99Å; V141-V170 HydrophobicContact CG1-CB 3.75Å; V141-V170 HydrophobicContact CG1-CG1 4.27Å; V141-V170 HydrophobicContact CG1-CG2 4.11Å
142	F	98.8	Very high	92.2	Very high	37 Å²	37	53.8 Å²	53.8	16%	0.162	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	137.7	-167.3	-56.7	-77.6	0	0	0	111.9	I121 E123 Y125 E130 P140 S388	I121-F142 HydrophobicContact CB-CD1 3.96Å; I121-F142 HydrophobicContact CB-CE1 4.21Å; I121-F142 HydrophobicContact CD1-CE1 4.09Å; I121-F142 HydrophobicContact CG2-CD1 4.13Å; I121-F142 HydrophobicContact CG2-CE1 4.28Å; I121-F142 WeakPolarHBondContact O-CA 3.23Å; E123-F142 HydrophobicContact CG-CB 4.33Å; E123-F142 HydrophobicContact CG-CD1 4.21Å; Y125-F142 HydrophobicContact CD1-CD1 4.34Å; Y125-F142 HydrophobicContact CD1-CE1 4.39Å; Y125-F142 AromaticContact CE1-CD1 3.8Å; Y125-F142 HydrophobicContact CE1-CD1 3.8Å; Y125-F142 AromaticContact CE1-CE1 3.62Å; Y125-F142 HydrophobicContact CE1-CE1 3.62Å; Y125-F142 AromaticContact CZ-CE1 3.79Å; E130-F142 HydrophobicContact CB-CE1 4.45Å; E130-F142 HydrophobicContact CB-CZ 4.45Å; E130-F142 HydrophobicContact CG-CZ 4.13Å; P140-F142 HydrophobicContact CB-CE1 4.02Å; P140-F142 HydrophobicContact CB-CE2 4.05Å; P140-F142 HydrophobicContact CB-CZ 3.59Å; P140-F142 HydrophobicContact CG-CE2 4.06Å; P140-F142 HydrophobicContact CG-CZ 3.77Å; F142-S388 VanDerWaalsContact CD2-CB 3.41Å
143	V	98.6	Very high	91.2	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	108.6	174.5	-179	0	0	0	0	108.6	I120 I121 I122 E123 L162 E166 L167 V170	I120-V143 HydrophobicContact CG2-CG2 4.1Å; I121-V143 PolarHBondContact O-N 3.31Å; I122-V143 CarbonylContact C-O 3.58Å; I122-V143 VanDerWaalsContact CA-O 3.29Å; I122-V143 WeakPolarHBondContact CA-O 3.46Å; E123-V143 PolarHBondContact N-O 2.9Å; V143-L162 HydrophobicContact CG1-CD1 3.95Å; V143-E166 HydrophobicContact CG1-CG 4.29Å; V143-L167 HydrophobicContact CB-CD1 4.42Å; V143-L167 HydrophobicContact CG1-CB 4.27Å; V143-L167 HydrophobicContact CG1-CD1 4.4Å; V143-L167 HydrophobicContact CG2-CD1 4.07Å; V143-V170 HydrophobicContact CG2-CB 4.38Å; V143-V170 HydrophobicContact CG2-CG1 4.09Å; V143-V170 HydrophobicContact CG2-CG2 3.44Å; V143-V170 VanDerWaalsContact CG2-CG2 3.44Å
144	P	98.4	Very high	90.6	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	136.8	-176.4	31.3	-34.9	0	0	0	113.6	E123 R146 L394	E123-P144 HydrophobicContact CB-CB 4.22Å; P144-R146 VanDerWaalsContact CG-CZ 3.47Å; P144-L394 HydrophobicContact CB-CD1 3.58Å; P144-L394 HydrophobicContact CG-CD1 4.03Å
145	L	98.4	Very high	90.5	Very high	3 Å²	3	62.7 Å²	62.7	2%	0.016	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-65.3	139.1	159.2	-60.7	-178.8	0	0	0	109.4	I122 E123 Y160 I161 L162 M184 K189	I122-L145 HydrophobicContact CG2-CD1 4.42Å; I122-L145 HydrophobicContact CG2-CD2 3.83Å; I122-L145 HydrophobicContact CG2-CG 3.8Å; E123-L145 WeakPolarHBondContact O-CB 2.99Å; E123-L145 VanDerWaalsContact O-CG 3.27Å; E123-L145 WeakPolarHBondContact O-CG 2.98Å; E123-L145 PolarHBondContact O-N 3.11Å; L145-Y160 HydrophobicContact CB-CD1 3.88Å; L145-Y160 HydrophobicContact CB-CG 4.45Å; L145-I161 WeakPolarHBondContact CA-O 3.17Å; L145-L162 HydrophobicContact CD2-CB 3.49Å; L145-L162 VanDerWaalsContact CD2-CB 3.49Å; L145-L162 HydrophobicContact CD2-CD1 3.86Å; L145-L162 HydrophobicContact CD2-CG 4.21Å; L145-M184 HydrophobicContact CD1-CE 3.77Å; L145-M184 HydrophobicContact CD1-SD 3.56Å; L145-M184 VanDerWaalsContact CD1-SD 3.56Å; L145-K189 HydrophobicContact CD1-CD 3.86Å
146	R	95.6	Very high	90.4	Very high	92 Å²	92	61.6 Å²	61.6	35%	0.347	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.7	176.9	-54.4	-60.4	-177.8	175.1	-2.3	109.1	P144 R148 I161 E166	P144-R146 VanDerWaalsContact CG-CZ 3.47Å; R146-R148 PolarHBondContact O-N 3.32Å; R146-I161 PolarHBondContact N-O 3.5Å; R146-I161 PolarHBondContact O-N 3.17Å; R146-E166 IonicContact CZ-OE1 3.24Å; R146-E166 IonicContact NE-OE2 3.73Å; R146-E166 IonicContact NH2-OE1 3.88Å; R146-E166 PolarHBondContact NH2-OE1 2.86Å; R146-E166 IonicContact NH2-OE2 2.72Å
147	L	94.7	Very high	90.5	Very high	41 Å²	41	61 Å²	61	22%	0.215	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	115.2	173.9	-176.6	61.7	0	0	0	109.6	M155 D159 Y160 V332 F398	L147-M155 HydrophobicContact CD2-SD 4.1Å; L147-D159 HydrophobicContact CD1-CB 4.04Å; L147-Y160 HydrophobicContact CB-CD1 4.03Å; L147-Y160 HydrophobicContact CB-CE1 3.81Å; L147-Y160 HydrophobicContact CD1-CD1 4.35Å; L147-Y160 HydrophobicContact CD1-CD2 3.82Å; L147-Y160 HydrophobicContact CD1-CE1 4.31Å; L147-Y160 HydrophobicContact CD1-CE2 3.77Å; L147-Y160 HydrophobicContact CD1-CG 4.11Å; L147-Y160 HydrophobicContact CG-CE1 4.46Å; L147-V332 HydrophobicContact CD2-CG2 4.3Å; L147-F398 HydrophobicContact CD2-CE1 3.9Å; L147-F398 HydrophobicContact CD2-CE2 4.5Å; L147-F398 HydrophobicContact CD2-CZ 3.61Å
148	R	91.2	Very high	90.4	Very high	128 Å²	128	62 Å²	62	48%	0.483	32%	0.321	S	S	.	.			trans	-85.4	113.3	173.3	-176.8	-174.8	61.2	-163.3	-6.1	109.9	R146 D159	R146-R148 PolarHBondContact O-N 3.32Å; R148-D159 IonicContact CZ-OD1 2.72Å; R148-D159 PolarHBondContact N-O 3.2Å; R148-D159 IonicContact NE-OD1 2.58Å; R148-D159 IonicContact NH2-OD1 2.74Å; R148-D159 PolarHBondContact NH2-OD1 3.11Å; R148-D159 WeakPolarHBondContact O-CB 3.29Å
149	T	81.7	Confident	90.4	Very high	102 Å²	102	62.3 Å²	62.3	63%	0.626	32%	0.32	S	S	*	.			trans	-85.8	118	173.5	54.4	0	0	0	0	110.3	M155	T149-M155 HydrophobicContact CG2-SD 4.24Å
150	N	69.7	Low	90.3	Very high	72 Å²	72	57 Å²	57	39%	0.385	30%	0.297	S	S	.	.			trans	-102.1	114.8	170.3	-69.1	-31.5	0	0	0	108.9	G152 N153	N150-G152 PolarHBondContact O-N 3.41Å; N150-N153 PolarHBondContact O-N 3.22Å
151	E	67.4	Low	90.3	Very high	202 Å²	202	59.7 Å²	59.7	94%	0.944	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	125.6	177.1	-67.5	-173.7	170.2	0	0	110.7
152	G	69	Low	90.2	Very high	83 Å²	83	59.1 Å²	59.1	86%	0.856	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.8	-6.7	174.1	0	0	0	0	0	116.5	N150	N150-G152 PolarHBondContact O-N 3.41Å
153	N	77	Confident	90.2	Very high	124 Å²	124	60.7 Å²	60.7	66%	0.663	32%	0.317	S	S	*	.	S	Bend	trans	-112.6	149.5	173.4	-77.3	-20.9	0	0	0	111.5	N150 M155	N150-N153 PolarHBondContact O-N 3.22Å; N153-M155 PolarHBondContact O-N 2.99Å
154	R	85	Confident	90.2	Very high	166 Å²	166	63 Å²	63	63%	0.626	33%	0.329	S	S	*	.			trans	-61.6	130.1	170.2	-72.1	-175.2	177.1	-178.1	-2.5	109.1
155	M	93.5	Very high	90.2	Very high	25 Å²	25	70.5 Å²	70.5	12%	0.123	36%	0.364	C	S	.	.			trans	-65.7	142.1	175.1	-67.8	-176.4	-74.1	0	0	110.5	L147 T149 N153 E330 V332 I333 D343	L147-M155 HydrophobicContact CD2-SD 4.1Å; T149-M155 HydrophobicContact CG2-SD 4.24Å; N153-M155 PolarHBondContact O-N 2.99Å; M155-E330 HydrophobicContact CE-CB 3.58Å; M155-V332 HydrophobicContact CB-CB 4.41Å; M155-V332 HydrophobicContact CB-CG1 4.36Å; M155-V332 HydrophobicContact CB-CG2 4.05Å; M155-V332 HydrophobicContact CE-CG2 4.18Å; M155-V332 HydrophobicContact SD-CG2 4.26Å; M155-I333 WeakPolarHBondContact O-CG1 3.13Å; M155-I333 PolarHBondContact O-N 3.01Å; M155-D343 HydrophobicContact CE-CB 4.45Å
156	S	95.1	Very high	90.1	Very high	26 Å²	26	72.8 Å²	72.8	18%	0.182	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-125.3	157.2	174.4	173	0	0	0	0	110.8	S158 D159 V332 I333	S156-S158 WeakPolarHBondContact CB-OG 3.22Å; S156-S158 PolarHBondContact O-N 3.21Å; S156-S158 VanDerWaalsContact O-N 3.13Å; S156-S158 PolarHBondContact OG-N 3.02Å; S156-S158 PolarHBondContact OG-OG 3.25Å; S156-D159 PolarHBondContact N-OD2 3.24Å; S156-D159 VanDerWaalsContact N-OD2 3.12Å; S156-D159 WeakPolarHBondContact O-CB 3.28Å; S156-D159 PolarHBondContact O-N 3.16Å; S156-V332 WeakPolarHBondContact O-CG1 2.99Å; S156-I333 CarbonylContact C-O 3.36Å; S156-I333 WeakPolarHBondContact CA-O 3.28Å; S156-I333 PolarHBondContact OG-O 3.08Å
157	S	97	Very high	90.3	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-59.7	-20.7	172.5	60.1	0	0	0	0	113.3	D159 Y160 T187 G188 I333 E335	S157-D159 PolarHBondContact O-N 2.86Å; S157-Y160 WeakPolarHBondContact O-CB 3.44Å; S157-Y160 PolarHBondContact O-N 2.91Å; S157-T187 WeakPolarHBondContact CB-O 3.39Å; S157-G188 PolarHBondContact OG-O 3Å; S157-I333 PolarHBondContact N-O 3.44Å; S157-E335 WeakPolarHBondContact OG-CB 3.4Å; S157-E335 VanDerWaalsContact OG-CG 3.25Å; S157-E335 WeakPolarHBondContact OG-CG 3.09Å; S157-E335 PolarHBondContact OG-N 2.9Å; S157-E335 PolarHBondContact OG-OE2 3.22Å
158	S	95.7	Very high	90.5	Very high	47 Å²	47	69.4 Å²	69.4	33%	0.329	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-65.8	-23.6	172.1	58	0	0	0	0	113.4	S156 Y160 I161 E335	S156-S158 WeakPolarHBondContact CB-OG 3.22Å; S156-S158 PolarHBondContact O-N 3.21Å; S156-S158 VanDerWaalsContact O-N 3.13Å; S156-S158 PolarHBondContact OG-N 3.02Å; S156-S158 PolarHBondContact OG-OG 3.25Å; S158-Y160 PolarHBondContact O-N 3.22Å; S158-I161 WeakPolarHBondContact O-CD1 3.45Å; S158-E335 WeakPolarHBondContact CA-OE2 3.42Å; S158-E335 WeakPolarHBondContact CB-OE1 3.28Å; S158-E335 PolarHBondContact N-OE2 3.44Å
159	D	95.8	Very high	90.8	Very high	16 Å²	16	67.6 Å²	67.6	9%	0.086	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-78	-7.7	176.8	-67.4	-57.8	0	0	0	113	L147 R148 S156 S157 I161	L147-D159 HydrophobicContact CD1-CB 4.04Å; R148-D159 IonicContact CZ-OD1 2.72Å; R148-D159 PolarHBondContact N-O 3.2Å; R148-D159 IonicContact NE-OD1 2.58Å; R148-D159 IonicContact NH2-OD1 2.74Å; R148-D159 PolarHBondContact NH2-OD1 3.11Å; R148-D159 WeakPolarHBondContact O-CB 3.29Å; S156-D159 PolarHBondContact N-OD2 3.24Å; S156-D159 VanDerWaalsContact N-OD2 3.12Å; S156-D159 WeakPolarHBondContact O-CB 3.28Å; S156-D159 PolarHBondContact O-N 3.16Å; S157-D159 PolarHBondContact O-N 2.86Å; D159-I161 PolarHBondContact O-N 2.98Å
160	Y	97.1	Very high	91.6	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.008	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	105.9	162.8	-79.5	-81.8	0	0	0	109.1	L145 L147 S157 S158 T187 K189 V332	L145-Y160 HydrophobicContact CB-CD1 3.88Å; L145-Y160 HydrophobicContact CB-CG 4.45Å; L147-Y160 HydrophobicContact CB-CD1 4.03Å; L147-Y160 HydrophobicContact CB-CE1 3.81Å; L147-Y160 HydrophobicContact CD1-CD1 4.35Å; L147-Y160 HydrophobicContact CD1-CD2 3.82Å; L147-Y160 HydrophobicContact CD1-CE1 4.31Å; L147-Y160 HydrophobicContact CD1-CE2 3.77Å; L147-Y160 HydrophobicContact CD1-CG 4.11Å; L147-Y160 HydrophobicContact CG-CE1 4.46Å; S157-Y160 WeakPolarHBondContact O-CB 3.44Å; S157-Y160 PolarHBondContact O-N 2.91Å; S158-Y160 PolarHBondContact O-N 3.22Å; Y160-T187 HydrophobicContact CD1-CG2 4.34Å; Y160-T187 HydrophobicContact CD2-CG2 3.85Å; Y160-T187 HydrophobicContact CE1-CG2 4.09Å; Y160-T187 HydrophobicContact CE2-CG2 3.56Å; Y160-T187 HydrophobicContact CG-CG2 4.24Å; Y160-K189 VanDerWaalsContact O-CE 3.28Å; Y160-K189 WeakPolarHBondContact O-CE 3.42Å; Y160-K189 PolarHBondContact O-NZ 3Å; Y160-V332 HydrophobicContact CD2-CG1 4.45Å; Y160-V332 HydrophobicContact CE2-CG1 3.99Å
161	I	97.4	Very high	93	Very high	66 Å²	66	61.9 Å²	61.9	34%	0.338	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	131.5	-176.5	-53.1	-54.5	0	0	0	110.1	L145 R146 S158 D159	L145-I161 WeakPolarHBondContact CA-O 3.17Å; R146-I161 PolarHBondContact N-O 3.5Å; R146-I161 PolarHBondContact O-N 3.17Å; S158-I161 WeakPolarHBondContact O-CD1 3.45Å; D159-I161 PolarHBondContact O-N 2.98Å
162	L	98	Very high	94.5	Very high	8 Å²	8	55.2 Å²	55.2	4%	0.042	31%	0.309	C	S	.	.			trans	-87.8	118.5	167.1	-177.8	61.7	0	0	0	109.4	I122 V143 L145 I164 L167 Y191 I199	I122-L162 HydrophobicContact CD1-CD2 4.25Å; I122-L162 HydrophobicContact CG2-CD1 4.29Å; V143-L162 HydrophobicContact CG1-CD1 3.95Å; L145-L162 HydrophobicContact CD2-CB 3.49Å; L145-L162 VanDerWaalsContact CD2-CB 3.49Å; L145-L162 HydrophobicContact CD2-CD1 3.86Å; L145-L162 HydrophobicContact CD2-CG 4.21Å; L162-I164 HydrophobicContact CD2-CD1 3.93Å; L162-I164 HydrophobicContact CG-CD1 4.08Å; L162-I164 PolarHBondContact O-N 3.44Å; L162-L167 HydrophobicContact CD1-CB 4.47Å; L162-L167 HydrophobicContact CD2-CD2 4.03Å; L162-Y191 HydrophobicContact CD2-CE1 4.27Å; L162-I199 HydrophobicContact CD2-CD1 3.75Å; L162-I199 HydrophobicContact CD2-CG1 3.9Å
163	D	98	Very high	95.8	Very high	71 Å²	71	60.5 Å²	60.5	38%	0.38	31%	0.311	S	S	.	.			trans	-75.1	109.8	167.6	-171.3	-30.1	0	0	0	109.1	Q165 E166 L167	D163-Q165 VanDerWaalsContact C-N 3.26Å; D163-Q165 PolarHBondContact O-N 2.97Å; D163-Q165 WeakPolarHBondContact OD1-CA 3.42Å; D163-Q165 VanDerWaalsContact OD1-CB 3.32Å; D163-Q165 WeakPolarHBondContact OD1-CB 3.49Å; D163-Q165 PolarHBondContact OD1-N 3.5Å; D163-E166 HydrophobicContact CB-CB 3.74Å; D163-E166 PolarHBondContact O-N 3.47Å; D163-E166 PolarHBondContact OD1-N 3.31Å; D163-E166 VanDerWaalsContact OD1-N 3.11Å; D163-L167 PolarHBondContact O-N 3.11Å
164	I	98.1	Very high	96.9	Very high	50 Å²	50	60 Å²	60	26%	0.256	30%	0.303	S	S	.	.	H	α-helix	trans	-66.2	-29.9	-179.1	-58.1	-56.7	0	0	0	111.5	L162 E168 A198 I202	L162-I164 HydrophobicContact CD2-CD1 3.93Å; L162-I164 HydrophobicContact CG-CD1 4.08Å; L162-I164 PolarHBondContact O-N 3.44Å; I164-E168 WeakPolarHBondContact O-CB 3.02Å; I164-E168 PolarHBondContact O-N 3.49Å; I164-A198 HydrophobicContact CD1-CB 3.68Å; I164-A198 HydrophobicContact CG1-CB 3.87Å; I164-A198 HydrophobicContact CG2-CB 4.04Å; I164-I202 HydrophobicContact CG2-CD1 3.74Å
165	Q	98.1	Very high	97.5	Very high	157 Å²	157	52.7 Å²	52.7	73%	0.734	28%	0.277	S	S	*	.	H	α-helix	trans	-73.7	-41.6	175.9	-60.2	178.9	1.3	0	0	110.6	D163 L167 E168 S169	D163-Q165 VanDerWaalsContact C-N 3.26Å; D163-Q165 PolarHBondContact O-N 2.97Å; D163-Q165 WeakPolarHBondContact OD1-CA 3.42Å; D163-Q165 VanDerWaalsContact OD1-CB 3.32Å; D163-Q165 WeakPolarHBondContact OD1-CB 3.49Å; D163-Q165 PolarHBondContact OD1-N 3.5Å; Q165-L167 VanDerWaalsContact C-N 3.32Å; Q165-E168 PolarHBondContact O-N 3.28Å; Q165-S169 VanDerWaalsContact O-CB 3.28Å; Q165-S169 WeakPolarHBondContact O-CB 3.23Å; Q165-S169 PolarHBondContact O-N 3.24Å
166	E	98.1	Very high	97.7	Very high	51 Å²	51	55.6 Å²	55.6	24%	0.238	29%	0.289	C	S	.	.	H	α-helix	trans	-59	-46.4	172.5	-168.1	174	-169.7	0	0	110	V143 R146 D163 E168 S169 V170	V143-E166 HydrophobicContact CG1-CG 4.29Å; R146-E166 IonicContact CZ-OE1 3.24Å; R146-E166 IonicContact NE-OE2 3.73Å; R146-E166 IonicContact NH2-OE1 3.88Å; R146-E166 PolarHBondContact NH2-OE1 2.86Å; R146-E166 IonicContact NH2-OE2 2.72Å; D163-E166 HydrophobicContact CB-CB 3.74Å; D163-E166 PolarHBondContact O-N 3.47Å; D163-E166 PolarHBondContact OD1-N 3.31Å; D163-E166 VanDerWaalsContact OD1-N 3.11Å; E166-E168 PolarHBondContact O-N 3.12Å; E166-S169 PolarHBondContact O-N 3.29Å; E166-S169 PolarHBondContact O-OG 3.1Å; E166-V170 PolarHBondContact O-N 3.21Å
167	L	98.6	Very high	97.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58	-46.3	175.7	178	62.8	0	0	0	112.8	I120 V143 L162 D163 Q165 S169 V170 L178 I199 I202	I120-L167 HydrophobicContact CD1-CD1 4.39Å; I120-L167 HydrophobicContact CG2-CD1 3.76Å; V143-L167 HydrophobicContact CB-CD1 4.42Å; V143-L167 HydrophobicContact CG1-CB 4.27Å; V143-L167 HydrophobicContact CG1-CD1 4.4Å; V143-L167 HydrophobicContact CG2-CD1 4.07Å; L162-L167 HydrophobicContact CD1-CB 4.47Å; L162-L167 HydrophobicContact CD2-CD2 4.03Å; D163-L167 PolarHBondContact O-N 3.11Å; Q165-L167 VanDerWaalsContact C-N 3.32Å; L167-S169 VanDerWaalsContact C-N 3.35Å; L167-V170 WeakPolarHBondContact O-CG2 3.31Å; L167-L178 HydrophobicContact CD1-CD1 3.84Å; L167-L178 HydrophobicContact CD2-CD1 4.23Å; L167-I199 HydrophobicContact CD2-CG1 3.98Å; L167-I202 HydrophobicContact CB-CD1 4.31Å; L167-I202 HydrophobicContact CD2-CD1 3.78Å; L167-I202 HydrophobicContact CG-CD1 3.96Å
168	E	98.3	Very high	98	Very high	61 Å²	61	54.5 Å²	54.5	29%	0.285	28%	0.281	S	S	.	.	H	α-helix	trans	-70.4	-32.9	179.4	-176.8	157.3	-138	0	0	112.2	I164 Q165 E166 V170 V171 I202 R205 H206	I164-E168 WeakPolarHBondContact O-CB 3.02Å; I164-E168 PolarHBondContact O-N 3.49Å; Q165-E168 PolarHBondContact O-N 3.28Å; E166-E168 PolarHBondContact O-N 3.12Å; E168-V170 PolarHBondContact O-N 2.91Å; E168-V171 WeakPolarHBondContact O-CB 3.49Å; E168-V171 PolarHBondContact O-N 3.05Å; E168-V171 VanDerWaalsContact O-N 3.11Å; E168-I202 HydrophobicContact CB-CD1 3.85Å; E168-I202 HydrophobicContact CB-CG1 4.24Å; E168-R205 IonicContact OE1-CZ 2.73Å; E168-R205 IonicContact OE1-NE 2.78Å; E168-R205 PolarHBondContact OE1-NE 3.26Å; E168-R205 IonicContact OE1-NH2 2.61Å; E168-R205 PolarHBondContact OE1-NH2 3.46Å; E168-R205 IonicContact OE2-CZ 3.09Å; E168-R205 IonicContact OE2-NH2 2.68Å; E168-R205 PolarHBondContact OE2-NH2 3.02Å; E168-H206 IonicContact OE1-CD2 2.89Å; E168-H206 IonicContact OE1-CE1 2.8Å; E168-H206 IonicContact OE1-NE2 3.92Å; E168-H206 PolarHBondContact OE1-NE2 3.15Å
169	S	98.4	Very high	98.2	Very high	91 Å²	91	52.4 Å²	52.4	64%	0.636	27%	0.266	S	S	*	.	H	α-helix	trans	-65.3	-25.1	-176.7	75.8	0	0	0	0	114.1	Q165 E166 L167 V171	Q165-S169 VanDerWaalsContact O-CB 3.28Å; Q165-S169 WeakPolarHBondContact O-CB 3.23Å; Q165-S169 PolarHBondContact O-N 3.24Å; E166-S169 PolarHBondContact O-N 3.29Å; E166-S169 PolarHBondContact O-OG 3.1Å; L167-S169 VanDerWaalsContact C-N 3.35Å; S169-V171 VanDerWaalsContact C-N 3.33Å
170	V	98.4	Very high	98.3	Very high	32 Å²	32	51.7 Å²	51.7	19%	0.194	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-7.6	178.5	-58.9	0	0	0	0	113.1	I120 V141 V143 E166 L167 E168 T172	I120-V170 HydrophobicContact CD1-CG2 3.89Å; I120-V170 HydrophobicContact CG1-CG2 4.15Å; V141-V170 HydrophobicContact CG1-CB 3.75Å; V141-V170 HydrophobicContact CG1-CG1 4.27Å; V141-V170 HydrophobicContact CG1-CG2 4.11Å; V143-V170 HydrophobicContact CG2-CB 4.38Å; V143-V170 HydrophobicContact CG2-CG1 4.09Å; V143-V170 HydrophobicContact CG2-CG2 3.44Å; V143-V170 VanDerWaalsContact CG2-CG2 3.44Å; E166-V170 PolarHBondContact O-N 3.21Å; L167-V170 WeakPolarHBondContact O-CG2 3.31Å; E168-V170 PolarHBondContact O-N 2.91Å; V170-T172 PolarHBondContact O-N 2.63Å
171	V	98.7	Very high	98.4	Very high	22 Å²	22	51.9 Å²	51.9	13%	0.133	26%	0.263	C	S	.	.			trans	-73.5	126.9	179.4	-176.4	0	0	0	0	109.6	I120 E168 S169 T175 I202 H206 L208	I120-V171 HydrophobicContact CD1-CG2 3.8Å; E168-V171 WeakPolarHBondContact O-CB 3.49Å; E168-V171 PolarHBondContact O-N 3.05Å; E168-V171 VanDerWaalsContact O-N 3.11Å; S169-V171 VanDerWaalsContact C-N 3.33Å; V171-T175 HydrophobicContact CG1-CG2 4.47Å; V171-I202 HydrophobicContact CG2-CG2 4.08Å; V171-H206 HydrophobicContact CG1-CB 3.65Å; V171-L208 HydrophobicContact CG1-CD2 4.42Å; V171-L208 HydrophobicContact CG2-CD1 4.31Å
172	T	98.5	Very high	98.4	Very high	62 Å²	62	48.7 Å²	48.7	38%	0.38	25%	0.247	S	C	.	.			trans	-125.4	174	176.7	82.3	0	0	0	0	110.3	E118 V170 K174 T175	E118-T172 WeakPolarHBondContact OE2-CG2 3.35Å; E118-T172 PolarHBondContact OE2-OG1 3.26Å; V170-T172 PolarHBondContact O-N 2.63Å; T172-K174 PolarHBondContact O-N 3.07Å; T172-K174 VanDerWaalsContact O-N 3.1Å; T172-K174 PolarHBondContact OG1-N 2.87Å; T172-T175 PolarHBondContact N-OG1 3.36Å; T172-T175 WeakPolarHBondContact O-CB 3.47Å; T172-T175 PolarHBondContact O-N 3.14Å; T172-T175 PolarHBondContact O-OG1 3.15Å
173	E	97.8	Very high	98.5	Very high	193 Å²	193	48.3 Å²	48.3	90%	0.902	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-16.8	171.2	66.2	-168.2	-175.5	0	0	114.2
174	K	98.5	Very high	98.5	Very high	113 Å²	113	45.1 Å²	45.1	49%	0.491	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-12.1	176.7	-63	179.7	179.6	178.4	0	112.7	E118 T172 K176	E118-K174 HydrophobicContact CB-CB 4.38Å; E118-K174 HydrophobicContact CG-CB 3.99Å; E118-K174 PolarHBondContact N-O 3.45Å; T172-K174 PolarHBondContact O-N 3.07Å; T172-K174 VanDerWaalsContact O-N 3.1Å; T172-K174 PolarHBondContact OG1-N 2.87Å; K174-K176 PolarHBondContact O-N 3.46Å; K174-K176 VanDerWaalsContact O-N 3.16Å
175	T	98.8	Very high	98.5	Very high	13 Å²	13	43 Å²	43	8%	0.08	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	116.6	-178.4	-50.8	0	0	0	0	110	I120 V171 T172 L208	I120-T175 HydrophobicContact CD1-CG2 3.62Å; I120-T175 HydrophobicContact CG1-CG2 3.78Å; V171-T175 HydrophobicContact CG1-CG2 4.47Å; T172-T175 PolarHBondContact N-OG1 3.36Å; T172-T175 WeakPolarHBondContact O-CB 3.47Å; T172-T175 PolarHBondContact O-N 3.14Å; T172-T175 PolarHBondContact O-OG1 3.15Å; T175-L208 HydrophobicContact CG2-CD1 4.26Å; T175-L208 HydrophobicContact CG2-CD2 3.7Å; T175-L208 WeakPolarHBondContact O-CD2 3.22Å
176	K	98.4	Very high	98.4	Very high	87 Å²	87	35.5 Å²	35.5	38%	0.378	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-42.1	-173.2	-175.2	58.4	164.3	-177.6	0	112.4	F112 D117 E118 K174 L209	F112-K176 WeakPolarHBondContact O-CE 3.39Å; F112-K176 WeakPolarHBondContact O-CG 3.42Å; D117-K176 HydrophobicContact CB-CB 4.01Å; E118-K176 PolarHBondContact O-N 2.97Å; K174-K176 PolarHBondContact O-N 3.46Å; K174-K176 VanDerWaalsContact O-N 3.16Å; K176-L209 PolarHBondContact O-N 3.15Å
177	L	98.6	Very high	98.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	162.5	-176.7	65.5	80	0	0	0	112.9	F112 I113 A119 I120 Y179 L209 I211	F112-L177 HydrophobicContact CB-CD2 4.24Å; I113-L177 HydrophobicContact CD1-CD2 3.97Å; I113-L177 HydrophobicContact CD1-CG 4.45Å; I113-L177 HydrophobicContact CG1-CD2 3.73Å; I113-L177 HydrophobicContact CG1-CG 4.36Å; A119-L177 CarbonylContact C-O 3.57Å; A119-L177 WeakPolarHBondContact CA-O 3.39Å; A119-L177 HydrophobicContact CB-CD1 3.59Å; A119-L177 HydrophobicContact CB-CG 4.11Å; I120-L177 PolarHBondContact N-O 3.27Å; L177-Y179 HydrophobicContact CD1-CD2 3.67Å; L177-Y179 HydrophobicContact CD1-CE2 3.42Å; L177-Y179 VanDerWaalsContact CD1-CE2 3.42Å; L177-L209 CarbonylContact C-O 2.98Å; L177-L209 WeakPolarHBondContact CA-O 3.36Å; L177-L209 HydrophobicContact CB-CB 3.94Å; L177-L209 HydrophobicContact CB-CD2 4.32Å; L177-L209 HydrophobicContact CB-CG 4.35Å; L177-L209 WeakPolarHBondContact CB-O 3.43Å; L177-L209 HydrophobicContact CD2-CD2 4.37Å; L177-I211 HydrophobicContact CD1-CG1 4.32Å; L177-I211 HydrophobicContact CD2-CG1 4.26Å
178	L	98.9	Very high	98.4	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	132.6	173.1	175.1	150.8	0	0	0	109.1	I120 I122 L167 L180 I199 L209 V210 I211	I120-L178 HydrophobicContact CB-CB 4.2Å; I120-L178 HydrophobicContact CB-CD1 4.32Å; I120-L178 HydrophobicContact CB-CG 4.24Å; I120-L178 HydrophobicContact CG2-CD1 3.99Å; I120-L178 HydrophobicContact CG2-CG 4.16Å; I120-L178 WeakPolarHBondContact O-CA 3.5Å; I122-L178 HydrophobicContact CD1-CD2 4.5Å; L167-L178 HydrophobicContact CD1-CD1 3.84Å; L167-L178 HydrophobicContact CD2-CD1 4.23Å; L178-L180 HydrophobicContact CD2-CB 3.96Å; L178-I199 HydrophobicContact CD1-CG2 4.25Å; L178-I199 HydrophobicContact CD2-CG2 4.14Å; L178-L209 PolarHBondContact N-O 3.35Å; L178-V210 HydrophobicContact CD2-CG1 4.06Å; L178-V210 HydrophobicContact CD2-CG2 4.44Å; L178-V210 WeakPolarHBondContact O-CA 3.44Å; L178-I211 PolarHBondContact O-N 3.32Å
179	Y	98.9	Very high	98.4	Very high	3 Å²	3	30.3 Å²	30.3	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	127.4	167.5	-75.8	-86.1	0	0	0	110.3	L105 A119 I120 I121 Y129 V133 L177 I211	L105-Y179 HydrophobicContact CD2-CD1 4.26Å; L105-Y179 HydrophobicContact CD2-CE1 3.93Å; A119-Y179 HydrophobicContact CB-CE2 4.46Å; I120-Y179 PolarHBondContact O-N 3.43Å; I121-Y179 HydrophobicContact CG1-CD2 3.98Å; Y129-Y179 HydrophobicContact CD1-CD1 4.04Å; Y129-Y179 HydrophobicContact CD1-CE1 4.16Å; Y129-Y179 HydrophobicContact CD2-CD1 4.22Å; Y129-Y179 HydrophobicContact CD2-CG 4.14Å; Y129-Y179 HydrophobicContact CE1-CD1 4.37Å; Y129-Y179 AromaticContact CG-CD1 3.98Å; Y129-Y179 HydrophobicContact CG-CD1 3.98Å; Y129-Y179 HydrophobicContact CG-CE1 4.34Å; Y129-Y179 HydrophobicContact CG-CG 4.13Å; V133-Y179 HydrophobicContact CG2-CE2 3.6Å; L177-Y179 HydrophobicContact CD1-CD2 3.67Å; L177-Y179 HydrophobicContact CD1-CE2 3.42Å; L177-Y179 VanDerWaalsContact CD1-CE2 3.42Å; Y179-I211 HydrophobicContact CD1-CB 3.84Å; Y179-I211 HydrophobicContact CD1-CG2 3.96Å; Y179-I211 HydrophobicContact CE1-CB 3.94Å; Y179-I211 HydrophobicContact CE1-CG1 4.27Å; Y179-I211 HydrophobicContact CE1-CG2 3.8Å
180	L	98.9	Very high	98.4	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	122.9	172.2	176.4	64.4	0	0	0	108.2	L178 Y191 L196 I199 V210 I211 S212 D213 F229	L178-L180 HydrophobicContact CD2-CB 3.96Å; L180-Y191 HydrophobicContact CD1-CD2 4.2Å; L180-Y191 HydrophobicContact CD1-CE1 4.4Å; L180-Y191 HydrophobicContact CD1-CE2 4.02Å; L180-Y191 HydrophobicContact CD1-CG 4.46Å; L180-L196 HydrophobicContact CD1-CD2 4.37Å; L180-L196 HydrophobicContact CD2-CD2 3.73Å; L180-I199 HydrophobicContact CD1-CD1 4.1Å; L180-V210 HydrophobicContact CB-CG1 3.92Å; L180-V210 HydrophobicContact CD2-CG1 4.48Å; L180-I211 PolarHBondContact N-O 3.21Å; L180-S212 CarbonylContact O-C 3.47Å; L180-S212 WeakPolarHBondContact O-CA 3.45Å; L180-D213 PolarHBondContact O-N 3.18Å; L180-F229 HydrophobicContact CD2-CB 3.82Å; L180-F229 HydrophobicContact CD2-CD1 4.28Å; L180-F229 HydrophobicContact CD2-CD2 3.44Å; L180-F229 VanDerWaalsContact CD2-CD2 3.44Å; L180-F229 HydrophobicContact CD2-CE2 3.97Å; L180-F229 HydrophobicContact CD2-CG 3.59Å
181	N	98.9	Very high	98.4	Very high	6 Å²	6	24.9 Å²	24.9	3%	0.032	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	112.9	174.7	-179.9	-141.3	0	0	0	109.6	Y129 P183 M184 N185 D213	Y129-N181 HydrophobicContact CE2-CB 4.27Å; Y129-N181 WeakPolarHBondContact OH-CB 3.28Å; N181-P183 PolarHBondContact ND2-O 2.8Å; N181-M184 WeakPolarHBondContact O-CA 3.27Å; N181-M184 WeakPolarHBondContact O-CB 3.34Å; N181-M184 PolarHBondContact O-N 3.33Å; N181-M184 WeakPolarHBondContact OD1-CA 3.45Å; N181-N185 PolarHBondContact OD1-N 2.86Å; N181-D213 WeakPolarHBondContact CA-O 3.39Å; N181-D213 HydrophobicContact CB-CB 4.32Å; N181-D213 PolarHBondContact ND2-O 2.61Å
182	N	98.6	Very high	98.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-145.6	114.6	-173.2	-172.5	38.1	0	0	0	111	V190 Y191 D213 E214 M226 I227	N182-V190 WeakPolarHBondContact OD1-CA 3.5Å; N182-Y191 HydrophobicContact CB-CD2 4.06Å; N182-Y191 PolarHBondContact OD1-N 3.06Å; N182-D213 PolarHBondContact N-O 2.78Å; N182-E214 WeakPolarHBondContact O-CA 3.42Å; N182-M226 WeakPolarHBondContact O-CE 3.38Å; N182-I227 PolarHBondContact ND2-O 3.39Å
183	P	98.4	Very high	98.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.134	C	C	.	.	S	Bend	cis	-61.7	143.9	-6.5	-23.7	34.6	0	0	0	113.6	N181 K189 V190 Y216 I220	N181-P183 PolarHBondContact ND2-O 2.8Å; P183-K189 CarbonylContact C-O 3.51Å; P183-K189 WeakPolarHBondContact CA-O 3.28Å; P183-V190 HydrophobicContact CB-CG2 4.09Å; P183-V190 HydrophobicContact CG-CG2 4.09Å; P183-Y216 VanDerWaalsContact CD-C 3.49Å; P183-Y216 WeakPolarHBondContact CG-O 3.44Å; P183-I220 HydrophobicContact CG-CD1 3.32Å
184	M	98.4	Very high	98.3	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.02	13%	0.129	C	C	.	.			trans	-78.6	131.5	-173	-178.4	175.2	-93.7	0	0	112.3	I122 P124 L145 N181 T187 G188 K189 Y191	I122-M184 HydrophobicContact CG2-CE 4.1Å; P124-M184 HydrophobicContact CG-SD 4.24Å; P124-M184 WeakPolarHBondContact O-CE 3.4Å; L145-M184 HydrophobicContact CD1-CE 3.77Å; L145-M184 HydrophobicContact CD1-SD 3.56Å; L145-M184 VanDerWaalsContact CD1-SD 3.56Å; N181-M184 WeakPolarHBondContact O-CA 3.27Å; N181-M184 WeakPolarHBondContact O-CB 3.34Å; N181-M184 PolarHBondContact O-N 3.33Å; N181-M184 WeakPolarHBondContact OD1-CA 3.45Å; M184-T187 WeakPolarHBondContact CB-OG1 3.2Å; M184-T187 WeakPolarHBondContact CG-OG1 3.16Å; M184-T187 HydrophobicContact SD-CG2 4.2Å; M184-T187 PolarHBondContact SD-OG1 2.83Å; M184-G188 VanDerWaalsContact O-CA 3.23Å; M184-G188 WeakPolarHBondContact O-CA 3.42Å; M184-G188 PolarHBondContact O-N 2.98Å; M184-K189 HydrophobicContact CB-CB 4.13Å; M184-K189 PolarHBondContact N-O 3.24Å; M184-Y191 HydrophobicContact CE-CE2 4.13Å; M184-Y191 VanDerWaalsContact CE-OH 3.27Å; M184-Y191 WeakPolarHBondContact CE-OH 3.43Å
185	N	97.8	Very high	98.3	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.027	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	122	161.2	164.3	30.1	0	0	0	107.7	F126 N181 Y216 F339 R400	F126-N185 WeakPolarHBondContact CD2-ND2 3.27Å; N181-N185 PolarHBondContact OD1-N 2.86Å; N185-Y216 HydrophobicContact CB-CD2 4.47Å; N185-Y216 HydrophobicContact CB-CE2 3.71Å; N185-F339 HydrophobicContact CB-CD2 4.03Å; N185-F339 HydrophobicContact CB-CE2 3.99Å; N185-F339 VanDerWaalsContact OD1-CD2 3.3Å; N185-F339 WeakPolarHBondContact OD1-CD2 3.47Å; N185-F339 WeakPolarHBondContact OD1-CE2 3.37Å; N185-R400 PolarHBondContact OD1-NH1 3.36Å
186	P	97.1	Very high	98.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	cis	-99.7	-11	23.7	36.9	-40.9	0	0	0	118.2	P124 G188 V341 M383 F386 R400	P124-P186 HydrophobicContact CB-CG 3.82Å; P124-P186 HydrophobicContact CG-CG 3.92Å; P186-G188 PolarHBondContact O-N 2.83Å; P186-V341 HydrophobicContact CB-CG2 4.43Å; P186-V341 WeakPolarHBondContact O-CG2 3.38Å; P186-M383 HydrophobicContact CB-CE 4.4Å; P186-M383 HydrophobicContact CB-SD 3.87Å; P186-M383 HydrophobicContact CG-CE 3.44Å; P186-M383 VanDerWaalsContact CG-CE 3.44Å; P186-M383 HydrophobicContact CG-SD 3.35Å; P186-M383 WeakPolarHBondContact CG-SD 3.29Å; P186-F386 HydrophobicContact CB-CD2 3.9Å; P186-F386 HydrophobicContact CB-CE2 3.99Å; P186-F386 HydrophobicContact CB-CG 4.29Å; P186-F386 HydrophobicContact CB-CZ 4.46Å; P186-F386 HydrophobicContact CG-CB 3.97Å; P186-F386 HydrophobicContact CG-CD1 4.46Å; P186-F386 HydrophobicContact CG-CD2 3.66Å; P186-F386 HydrophobicContact CG-CE2 4.27Å; P186-F386 HydrophobicContact CG-CG 3.77Å; P186-R400 HydrophobicContact CB-CG 3.93Å
187	T	97.6	Very high	98.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-23.3	-165.9	56.8	0	0	0	0	115	P124 S157 Y160 M184 K189 M383	P124-T187 HydrophobicContact CG-CG2 3.37Å; S157-T187 WeakPolarHBondContact CB-O 3.39Å; Y160-T187 HydrophobicContact CD1-CG2 4.34Å; Y160-T187 HydrophobicContact CD2-CG2 3.85Å; Y160-T187 HydrophobicContact CE1-CG2 4.09Å; Y160-T187 HydrophobicContact CE2-CG2 3.56Å; Y160-T187 HydrophobicContact CG-CG2 4.24Å; M184-T187 WeakPolarHBondContact CB-OG1 3.2Å; M184-T187 WeakPolarHBondContact CG-OG1 3.16Å; M184-T187 HydrophobicContact SD-CG2 4.2Å; M184-T187 PolarHBondContact SD-OG1 2.83Å; T187-K189 WeakPolarHBondContact OG1-CB 3.48Å; T187-K189 PolarHBondContact OG1-N 3.09Å; T187-M383 HydrophobicContact CG2-CE 3.95Å
188	G	97.9	Very high	98.3	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.01	12%	0.117	C	C	.	.			trans	73.2	13.2	-168	0	0	0	0	0	113.9	S157 M184 P186 V190 E335 G336	S157-G188 PolarHBondContact OG-O 3Å; M184-G188 VanDerWaalsContact O-CA 3.23Å; M184-G188 WeakPolarHBondContact O-CA 3.42Å; M184-G188 PolarHBondContact O-N 2.98Å; P186-G188 PolarHBondContact O-N 2.83Å; G188-V190 PolarHBondContact O-N 2.93Å; G188-E335 PolarHBondContact O-N 2.89Å; G188-E335 VanDerWaalsContact O-N 3.12Å; G188-G336 WeakPolarHBondContact CA-O 3.46Å; G188-G336 PolarHBondContact O-N 3.43Å
189	K	98.3	Very high	98.3	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.009	12%	0.117	C	C	.	.			trans	-62.3	133.4	177.5	-179.5	178.7	173.4	72.3	0	110.6	L145 Y160 P183 M184 T187 Y191 E195	L145-K189 HydrophobicContact CD1-CD 3.86Å; Y160-K189 VanDerWaalsContact O-CE 3.28Å; Y160-K189 WeakPolarHBondContact O-CE 3.42Å; Y160-K189 PolarHBondContact O-NZ 3Å; P183-K189 CarbonylContact C-O 3.51Å; P183-K189 WeakPolarHBondContact CA-O 3.28Å; M184-K189 HydrophobicContact CB-CB 4.13Å; M184-K189 PolarHBondContact N-O 3.24Å; T187-K189 WeakPolarHBondContact OG1-CB 3.48Å; T187-K189 PolarHBondContact OG1-N 3.09Å; K189-Y191 HydrophobicContact CD-CD2 4.49Å; K189-Y191 HydrophobicContact CD-CE2 4.26Å; K189-E195 VanDerWaalsContact CE-OE1 3.28Å; K189-E195 WeakPolarHBondContact CE-OE1 3.37Å; K189-E195 IonicContact NZ-OE1 2.71Å; K189-E195 PolarHBondContact NZ-OE1 2.87Å; K189-E195 IonicContact NZ-OE2 3.6Å; K189-E195 PolarHBondContact NZ-OE2 3.49Å
190	V	98.6	Very high	98.3	Very high	8 Å²	8	25.5 Å²	25.5	5%	0.048	12%	0.118	C	C	.	.			trans	-106.9	117.2	165.9	-177.5	0	0	0	0	106.8	N182 P183 G188 S192 I220 E225 E335	N182-V190 WeakPolarHBondContact OD1-CA 3.5Å; P183-V190 HydrophobicContact CB-CG2 4.09Å; P183-V190 HydrophobicContact CG-CG2 4.09Å; G188-V190 PolarHBondContact O-N 2.93Å; V190-S192 PolarHBondContact O-N 3.39Å; V190-I220 HydrophobicContact CG1-CD1 4.37Å; V190-I220 HydrophobicContact CG2-CD1 4Å; V190-E225 WeakPolarHBondContact CG1-O 3.48Å; V190-E335 HydrophobicContact CB-CB 4Å; V190-E335 HydrophobicContact CG2-CB 3.67Å
191	Y	98.4	Very high	98.3	Very high	1 Å²	1	29 Å²	29	0%	0.004	14%	0.136	C	C	.	.			trans	-68.4	131.3	-178.2	-78.4	-99.9	0	0	0	110.5	I122 L162 L180 N182 M184 K189 E195 L196 I199	I122-Y191 WeakPolarHBondContact CG2-OH 3.35Å; L162-Y191 HydrophobicContact CD2-CE1 4.27Å; L180-Y191 HydrophobicContact CD1-CD2 4.2Å; L180-Y191 HydrophobicContact CD1-CE1 4.4Å; L180-Y191 HydrophobicContact CD1-CE2 4.02Å; L180-Y191 HydrophobicContact CD1-CG 4.46Å; N182-Y191 HydrophobicContact CB-CD2 4.06Å; N182-Y191 PolarHBondContact OD1-N 3.06Å; M184-Y191 HydrophobicContact CE-CE2 4.13Å; M184-Y191 VanDerWaalsContact CE-OH 3.27Å; M184-Y191 WeakPolarHBondContact CE-OH 3.43Å; K189-Y191 HydrophobicContact CD-CD2 4.49Å; K189-Y191 HydrophobicContact CD-CE2 4.26Å; Y191-E195 HydrophobicContact CD1-CB 3.99Å; Y191-L196 HydrophobicContact CG-CD2 4.16Å; Y191-I199 HydrophobicContact CD1-CD1 4.2Å; Y191-I199 HydrophobicContact CE1-CD1 4.13Å
192	S	97.7	Very high	98.3	Very high	55 Å²	55	28.8 Å²	28.8	39%	0.385	14%	0.135	S	C	.	.			trans	-69.2	158.1	175.9	66	0	0	0	0	111.5	V190 R194 E195 L196	V190-S192 PolarHBondContact O-N 3.39Å; S192-R194 PolarHBondContact O-N 2.83Å; S192-E195 WeakPolarHBondContact CB-OE2 3.36Å; S192-E195 PolarHBondContact N-OE2 2.91Å; S192-E195 PolarHBondContact O-N 3.5Å; S192-E195 VanDerWaalsContact O-N 3.11Å; S192-E195 WeakPolarHBondContact OG-CG 3.41Å; S192-E195 PolarHBondContact OG-N 2.88Å; S192-E195 PolarHBondContact OG-OE2 3.02Å; S192-L196 WeakPolarHBondContact O-CG 3.35Å; S192-L196 PolarHBondContact O-N 3.33Å
193	R	98.1	Very high	98.3	Very high	106 Å²	106	28.9 Å²	28.9	40%	0.4	14%	0.136	S	C	.	.	H	α-helix	trans	-49.1	-45.8	173.3	-176.2	166.9	-68.2	-79	-2.4	112.2	E195 L196 E197 E225 I227	R193-E195 PolarHBondContact O-N 2.96Å; R193-L196 PolarHBondContact O-N 3.04Å; R193-E197 WeakPolarHBondContact CD-OE1 3.49Å; R193-E197 HydrophobicContact CG-CG 4.2Å; R193-E197 VanDerWaalsContact CG-OE1 3.25Å; R193-E197 WeakPolarHBondContact CG-OE1 3.47Å; R193-E197 WeakPolarHBondContact O-CB 3.47Å; R193-E197 VanDerWaalsContact O-CG 3.3Å; R193-E197 WeakPolarHBondContact O-CG 3.49Å; R193-E197 PolarHBondContact O-N 3.47Å; R193-E225 IonicContact NH2-OE1 2.9Å; R193-I227 VanDerWaalsContact CA-CD1 3.46Å; R193-I227 HydrophobicContact CB-CD1 3.41Å; R193-I227 VanDerWaalsContact CB-CD1 3.41Å; R193-I227 HydrophobicContact CG-CD1 4.08Å
194	R	98	Very high	98.3	Very high	209 Å²	209	32.5 Å²	32.5	79%	0.789	15%	0.152	S	C	*	.	H	α-helix	trans	-62.4	-43.7	-178.4	-179.3	-177.8	173.8	-172.6	-2.7	112.1	S192 A198	S192-R194 PolarHBondContact O-N 2.83Å; R194-A198 WeakPolarHBondContact O-CB 3.36Å; R194-A198 PolarHBondContact O-N 2.63Å; R194-A198 VanDerWaalsContact O-N 3.09Å
195	E	98.3	Very high	98.3	Very high	28 Å²	28	39.9 Å²	39.9	13%	0.131	18%	0.179	C	C	.	.	H	α-helix	trans	-65.7	-44.5	177	-70	164.6	124.6	0	0	110.8	K189 Y191 S192 R193 A198 I199	K189-E195 VanDerWaalsContact CE-OE1 3.28Å; K189-E195 WeakPolarHBondContact CE-OE1 3.37Å; K189-E195 IonicContact NZ-OE1 2.71Å; K189-E195 PolarHBondContact NZ-OE1 2.87Å; K189-E195 IonicContact NZ-OE2 3.6Å; K189-E195 PolarHBondContact NZ-OE2 3.49Å; Y191-E195 HydrophobicContact CD1-CB 3.99Å; S192-E195 WeakPolarHBondContact CB-OE2 3.36Å; S192-E195 PolarHBondContact N-OE2 2.91Å; S192-E195 PolarHBondContact O-N 3.5Å; S192-E195 VanDerWaalsContact O-N 3.11Å; S192-E195 WeakPolarHBondContact OG-CG 3.41Å; S192-E195 PolarHBondContact OG-N 2.88Å; S192-E195 PolarHBondContact OG-OE2 3.02Å; R193-E195 PolarHBondContact O-N 2.96Å; E195-A198 PolarHBondContact O-N 3.35Å; E195-I199 VanDerWaalsContact O-CG1 3.31Å; E195-I199 WeakPolarHBondContact O-CG1 3.38Å; E195-I199 PolarHBondContact O-N 3.43Å
196	L	98.8	Very high	98.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.3	-39.7	178.8	-62.2	169.3	0	0	0	112.1	L180 Y191 S192 R193 A198 I199 A200 I227 F229 L232	L180-L196 HydrophobicContact CD1-CD2 4.37Å; L180-L196 HydrophobicContact CD2-CD2 3.73Å; Y191-L196 HydrophobicContact CG-CD2 4.16Å; S192-L196 WeakPolarHBondContact O-CG 3.35Å; S192-L196 PolarHBondContact O-N 3.33Å; R193-L196 PolarHBondContact O-N 3.04Å; L196-A198 VanDerWaalsContact C-N 3.33Å; L196-A198 PolarHBondContact O-N 2.88Å; L196-I199 PolarHBondContact O-N 2.85Å; L196-A200 VanDerWaalsContact O-CB 3.27Å; L196-A200 WeakPolarHBondContact O-CB 3.42Å; L196-A200 PolarHBondContact O-N 3.44Å; L196-I227 HydrophobicContact CD1-CB 3.56Å; L196-I227 HydrophobicContact CD1-CD1 4.44Å; L196-I227 HydrophobicContact CD1-CG2 3.69Å; L196-F229 HydrophobicContact CB-CD2 4.18Å; L196-F229 HydrophobicContact CB-CE2 4.41Å; L196-F229 HydrophobicContact CD2-CD2 3.84Å; L196-F229 HydrophobicContact CD2-CE2 4.42Å; L196-F229 WeakPolarHBondContact O-CE2 3.45Å; L196-L232 HydrophobicContact CB-CD1 3.65Å
197	E	98.7	Very high	98.3	Very high	82 Å²	82	49.1 Å²	49.1	38%	0.383	23%	0.226	S	C	.	.	H	α-helix	trans	-63	-39.1	174.2	-76.6	170.5	174.8	0	0	111.8	R193 A200 D201 L232	R193-E197 WeakPolarHBondContact CD-OE1 3.49Å; R193-E197 HydrophobicContact CG-CG 4.2Å; R193-E197 VanDerWaalsContact CG-OE1 3.25Å; R193-E197 WeakPolarHBondContact CG-OE1 3.47Å; R193-E197 WeakPolarHBondContact O-CB 3.47Å; R193-E197 VanDerWaalsContact O-CG 3.3Å; R193-E197 WeakPolarHBondContact O-CG 3.49Å; R193-E197 PolarHBondContact O-N 3.47Å; E197-A200 WeakPolarHBondContact O-CB 3.39Å; E197-A200 PolarHBondContact O-N 3.29Å; E197-D201 PolarHBondContact O-N 2.91Å; E197-L232 HydrophobicContact CG-CD1 4.36Å; E197-L232 HydrophobicContact CG-CD2 4.3Å
198	A	98.7	Very high	98.4	Very high	24 Å²	24	49.2 Å²	49.2	20%	0.198	23%	0.227	C	C	.	.	H	α-helix	trans	-65.8	-42.6	175.1	0	0	0	0	0	112.4	I164 R194 E195 L196 A200 D201 I202	I164-A198 HydrophobicContact CD1-CB 3.68Å; I164-A198 HydrophobicContact CG1-CB 3.87Å; I164-A198 HydrophobicContact CG2-CB 4.04Å; R194-A198 WeakPolarHBondContact O-CB 3.36Å; R194-A198 PolarHBondContact O-N 2.63Å; R194-A198 VanDerWaalsContact O-N 3.09Å; E195-A198 PolarHBondContact O-N 3.35Å; L196-A198 VanDerWaalsContact C-N 3.33Å; L196-A198 PolarHBondContact O-N 2.88Å; A198-A200 VanDerWaalsContact C-N 3.34Å; A198-D201 PolarHBondContact O-N 3.26Å; A198-I202 PolarHBondContact O-N 3.37Å; A198-I202 VanDerWaalsContact O-N 3.16Å
199	I	98.8	Very high	98.5	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-63.2	-42.5	173.8	-64	165.4	0	0	0	110.2	L162 L167 L178 L180 Y191 E195 L196 D201 I202 A203 F229	L162-I199 HydrophobicContact CD2-CD1 3.75Å; L162-I199 HydrophobicContact CD2-CG1 3.9Å; L167-I199 HydrophobicContact CD2-CG1 3.98Å; L178-I199 HydrophobicContact CD1-CG2 4.25Å; L178-I199 HydrophobicContact CD2-CG2 4.14Å; L180-I199 HydrophobicContact CD1-CD1 4.1Å; Y191-I199 HydrophobicContact CD1-CD1 4.2Å; Y191-I199 HydrophobicContact CE1-CD1 4.13Å; E195-I199 VanDerWaalsContact O-CG1 3.31Å; E195-I199 WeakPolarHBondContact O-CG1 3.38Å; E195-I199 PolarHBondContact O-N 3.43Å; L196-I199 PolarHBondContact O-N 2.85Å; I199-D201 VanDerWaalsContact C-N 3.33Å; I199-D201 PolarHBondContact O-N 3.27Å; I199-I202 PolarHBondContact O-N 2.84Å; I199-A203 WeakPolarHBondContact O-CB 3.49Å; I199-A203 PolarHBondContact O-N 3.09Å; I199-F229 HydrophobicContact CB-CE2 4.09Å; I199-F229 HydrophobicContact CB-CZ 4.38Å; I199-F229 HydrophobicContact CG2-CE2 3.91Å; I199-F229 HydrophobicContact CG2-CZ 3.81Å
200	A	98.9	Very high	98.5	Very high	3 Å²	3	49.8 Å²	49.8	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-40.8	177.1	0	0	0	0	0	111.9	L196 E197 A198 A203 K204 F229 L232 M235	L196-A200 VanDerWaalsContact O-CB 3.27Å; L196-A200 WeakPolarHBondContact O-CB 3.42Å; L196-A200 PolarHBondContact O-N 3.44Å; E197-A200 WeakPolarHBondContact O-CB 3.39Å; E197-A200 PolarHBondContact O-N 3.29Å; A198-A200 VanDerWaalsContact C-N 3.34Å; A200-A203 PolarHBondContact O-N 3.1Å; A200-K204 WeakPolarHBondContact O-CB 3.28Å; A200-K204 VanDerWaalsContact O-CE 3.24Å; A200-K204 WeakPolarHBondContact O-CE 3.41Å; A200-K204 VanDerWaalsContact O-CG 3.3Å; A200-K204 WeakPolarHBondContact O-CG 3.39Å; A200-K204 PolarHBondContact O-N 3.45Å; A200-F229 HydrophobicContact CB-CE2 4.13Å; A200-F229 HydrophobicContact CB-CZ 4.02Å; A200-L232 HydrophobicContact CB-CD1 4.1Å; A200-M235 HydrophobicContact CB-CE 4.25Å; A200-M235 HydrophobicContact CB-CG 3.64Å; A200-M235 HydrophobicContact CB-SD 3.61Å
201	D	98.7	Very high	98.5	Very high	74 Å²	74	49.4 Å²	49.4	40%	0.396	23%	0.227	S	C	.	.	H	α-helix	trans	-64.1	-44.5	176.8	-78.9	-11.2	0	0	0	112.4	E197 A198 I199 K204 R205	E197-D201 PolarHBondContact O-N 2.91Å; A198-D201 PolarHBondContact O-N 3.26Å; I199-D201 VanDerWaalsContact C-N 3.33Å; I199-D201 PolarHBondContact O-N 3.27Å; D201-K204 PolarHBondContact O-N 2.96Å; D201-K204 WeakPolarHBondContact OD1-CE 3.38Å; D201-K204 IonicContact OD1-NZ 3.24Å; D201-K204 PolarHBondContact OD1-NZ 2.98Å; D201-R205 WeakPolarHBondContact O-CG 3.38Å; D201-R205 PolarHBondContact O-N 3.12Å
202	I	98.7	Very high	98.5	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-59.9	-50.2	173	-67.4	170.9	0	0	0	110.1	I164 L167 E168 V171 A198 I199 K204 R205 H206 L208	I164-I202 HydrophobicContact CG2-CD1 3.74Å; L167-I202 HydrophobicContact CB-CD1 4.31Å; L167-I202 HydrophobicContact CD2-CD1 3.78Å; L167-I202 HydrophobicContact CG-CD1 3.96Å; E168-I202 HydrophobicContact CB-CD1 3.85Å; E168-I202 HydrophobicContact CB-CG1 4.24Å; V171-I202 HydrophobicContact CG2-CG2 4.08Å; A198-I202 PolarHBondContact O-N 3.37Å; A198-I202 VanDerWaalsContact O-N 3.16Å; I199-I202 PolarHBondContact O-N 2.84Å; I202-K204 VanDerWaalsContact C-N 3.27Å; I202-K204 PolarHBondContact O-N 3.46Å; I202-R205 PolarHBondContact O-N 2.69Å; I202-H206 PolarHBondContact O-CD2 2.98Å; I202-H206 PolarHBondContact O-N 2.68Å; I202-L208 HydrophobicContact CG2-CD1 4.35Å
203	A	98.7	Very high	98.6	Very high	1 Å²	1	47 Å²	47	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-59.2	-38.8	-179.2	0	0	0	0	0	112.1	I199 A200 N207 L208 V210 M235 R238	I199-A203 WeakPolarHBondContact O-CB 3.49Å; I199-A203 PolarHBondContact O-N 3.09Å; A200-A203 PolarHBondContact O-N 3.1Å; A203-N207 CarbonylContact O-C 3.55Å; A203-N207 WeakPolarHBondContact O-CA 3.23Å; A203-N207 PolarHBondContact O-N 2.92Å; A203-N207 VanDerWaalsContact O-N 3.09Å; A203-L208 HydrophobicContact CB-CB 4.22Å; A203-L208 PolarHBondContact O-N 3.39Å; A203-V210 HydrophobicContact CB-CG2 3.83Å; A203-M235 HydrophobicContact CB-CE 3.72Å; A203-R238 PolarHBondContact O-NH1 2.98Å
204	K	98.4	Very high	98.6	Very high	77 Å²	77	42 Å²	42	34%	0.335	19%	0.191	S	C	.	.	H	α-helix	trans	-64.2	-54.8	173.7	-76.3	176.9	-58.4	-176.6	0	112.1	A200 D201 I202 H206 N207 M235 R238	A200-K204 WeakPolarHBondContact O-CB 3.28Å; A200-K204 VanDerWaalsContact O-CE 3.24Å; A200-K204 WeakPolarHBondContact O-CE 3.41Å; A200-K204 VanDerWaalsContact O-CG 3.3Å; A200-K204 WeakPolarHBondContact O-CG 3.39Å; A200-K204 PolarHBondContact O-N 3.45Å; D201-K204 PolarHBondContact O-N 2.96Å; D201-K204 WeakPolarHBondContact OD1-CE 3.38Å; D201-K204 IonicContact OD1-NZ 3.24Å; D201-K204 PolarHBondContact OD1-NZ 2.98Å; I202-K204 VanDerWaalsContact C-N 3.27Å; I202-K204 PolarHBondContact O-N 3.46Å; K204-H206 VanDerWaalsContact C-N 3.3Å; K204-H206 PolarHBondContact O-N 2.73Å; K204-N207 PolarHBondContact O-N 3.22Å; K204-M235 HydrophobicContact CD-SD 4.2Å; K204-M235 HydrophobicContact CG-SD 3.86Å; K204-R238 VanDerWaalsContact CA-NH1 3.32Å; K204-R238 PolarHBondContact O-NH1 2.77Å
205	R	97.8	Very high	98.6	Very high	159 Å²	159	32.7 Å²	32.7	60%	0.6	16%	0.157	S	C	*	.	H	α-helix	trans	-59.4	-39.5	-176	-73.8	-165.5	-59.5	-134.2	4	112.8	E168 D201 I202	E168-R205 IonicContact OE1-CZ 2.73Å; E168-R205 IonicContact OE1-NE 2.78Å; E168-R205 PolarHBondContact OE1-NE 3.26Å; E168-R205 IonicContact OE1-NH2 2.61Å; E168-R205 PolarHBondContact OE1-NH2 3.46Å; E168-R205 IonicContact OE2-CZ 3.09Å; E168-R205 IonicContact OE2-NH2 2.68Å; E168-R205 PolarHBondContact OE2-NH2 3.02Å; D201-R205 WeakPolarHBondContact O-CG 3.38Å; D201-R205 PolarHBondContact O-N 3.12Å; I202-R205 PolarHBondContact O-N 2.69Å
206	H	98.2	Very high	98.6	Very high	75 Å²	75	31.9 Å²	31.9	35%	0.347	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	8	-175.8	-62.4	-78.4	0	0	0	113.8	E168 V171 I202 K204 L208	E168-H206 IonicContact OE1-CD2 2.89Å; E168-H206 IonicContact OE1-CE1 2.8Å; E168-H206 IonicContact OE1-NE2 3.92Å; E168-H206 PolarHBondContact OE1-NE2 3.15Å; V171-H206 HydrophobicContact CG1-CB 3.65Å; I202-H206 PolarHBondContact O-CD2 2.98Å; I202-H206 PolarHBondContact O-N 2.68Å; K204-H206 VanDerWaalsContact C-N 3.3Å; K204-H206 PolarHBondContact O-N 2.73Å; H206-L208 VanDerWaalsContact C-N 3.32Å; H206-L208 HydrophobicContact CB-CD1 4.41Å; H206-L208 HydrophobicContact CB-CD2 4.09Å; H206-L208 HydrophobicContact CB-CG 3.96Å; H206-L208 PolarHBondContact O-N 3.46Å
207	N	98.1	Very high	98.6	Very high	123 Å²	123	32 Å²	32	66%	0.658	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	40.8	179.4	-162.1	43.5	0	0	0	115.1	A203 K204	A203-N207 CarbonylContact O-C 3.55Å; A203-N207 WeakPolarHBondContact O-CA 3.23Å; A203-N207 PolarHBondContact O-N 2.92Å; A203-N207 VanDerWaalsContact O-N 3.09Å; K204-N207 PolarHBondContact O-N 3.22Å
208	L	98.8	Very high	98.5	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.016	14%	0.139	C	C	.	.			trans	-84	140.4	-179.7	-49.8	-177.2	0	0	0	111.2	I120 V171 T175 I202 A203 H206	I120-L208 HydrophobicContact CD1-CD1 4.43Å; V171-L208 HydrophobicContact CG1-CD2 4.42Å; V171-L208 HydrophobicContact CG2-CD1 4.31Å; T175-L208 HydrophobicContact CG2-CD1 4.26Å; T175-L208 HydrophobicContact CG2-CD2 3.7Å; T175-L208 WeakPolarHBondContact O-CD2 3.22Å; I202-L208 HydrophobicContact CG2-CD1 4.35Å; A203-L208 HydrophobicContact CB-CB 4.22Å; A203-L208 PolarHBondContact O-N 3.39Å; H206-L208 VanDerWaalsContact C-N 3.32Å; H206-L208 HydrophobicContact CB-CD1 4.41Å; H206-L208 HydrophobicContact CB-CD2 4.09Å; H206-L208 HydrophobicContact CB-CG 3.96Å; H206-L208 PolarHBondContact O-N 3.46Å
209	L	98.9	Very high	98.4	Very high	15 Å²	15	28.2 Å²	28.2	8%	0.079	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	137.6	161.9	175.4	71.3	0	0	0	109.3	F112 K176 L177 L178 I211 V240 L265	F112-L209 HydrophobicContact CB-CD2 3.87Å; F112-L209 HydrophobicContact CD1-CD2 3.94Å; F112-L209 HydrophobicContact CD2-CD2 3.23Å; F112-L209 HydrophobicContact CE1-CD2 4.29Å; F112-L209 HydrophobicContact CE2-CD2 3.63Å; F112-L209 HydrophobicContact CG-CD2 3.4Å; F112-L209 VanDerWaalsContact CG-CD2 3.4Å; F112-L209 HydrophobicContact CZ-CD2 4.16Å; K176-L209 PolarHBondContact O-N 3.15Å; L177-L209 CarbonylContact C-O 2.98Å; L177-L209 WeakPolarHBondContact CA-O 3.36Å; L177-L209 HydrophobicContact CB-CB 3.94Å; L177-L209 HydrophobicContact CB-CD2 4.32Å; L177-L209 HydrophobicContact CB-CG 4.35Å; L177-L209 WeakPolarHBondContact CB-O 3.43Å; L177-L209 HydrophobicContact CD2-CD2 4.37Å; L178-L209 PolarHBondContact N-O 3.35Å; L209-I211 HydrophobicContact CD2-CD1 3.63Å; L209-I211 HydrophobicContact CG-CD1 3.86Å; L209-V240 HydrophobicContact CD1-CG2 4.32Å; L209-L265 HydrophobicContact CD1-CD1 3.65Å; L209-L265 HydrophobicContact CD1-CD2 4.24Å
210	V	99	Very high	98.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.8	172.3	-178.6	0	0	0	0	110.4	L178 L180 A203 F229 M235 R238 T239 V240	L178-V210 HydrophobicContact CD2-CG1 4.06Å; L178-V210 HydrophobicContact CD2-CG2 4.44Å; L178-V210 WeakPolarHBondContact O-CA 3.44Å; L180-V210 HydrophobicContact CB-CG1 3.92Å; L180-V210 HydrophobicContact CD2-CG1 4.48Å; A203-V210 HydrophobicContact CB-CG2 3.83Å; V210-F229 HydrophobicContact CB-CD1 4Å; V210-F229 HydrophobicContact CB-CE1 3.55Å; V210-F229 HydrophobicContact CB-CZ 4.47Å; V210-F229 HydrophobicContact CG1-CD1 3.68Å; V210-F229 HydrophobicContact CG1-CE1 3.51Å; V210-F229 HydrophobicContact CG1-CZ 4.26Å; V210-F229 HydrophobicContact CG2-CD1 4.43Å; V210-F229 HydrophobicContact CG2-CE1 3.5Å; V210-F229 HydrophobicContact CG2-CZ 4.04Å; V210-M235 HydrophobicContact CG2-CE 4.2Å; V210-R238 PolarHBondContact N-O 3.46Å; V210-T239 CarbonylContact O-C 3.59Å; V210-T239 VanDerWaalsContact O-CA 3.29Å; V210-T239 WeakPolarHBondContact O-CA 3.49Å; V210-V240 PolarHBondContact O-N 3.25Å
211	I	98.9	Very high	98.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	101.6	170.5	-50.4	-53.5	0	0	0	107	L105 L177 L178 Y179 L180 L209 V240 I242	L105-I211 HydrophobicContact CD2-CG2 4.07Å; L177-I211 HydrophobicContact CD1-CG1 4.32Å; L177-I211 HydrophobicContact CD2-CG1 4.26Å; L178-I211 PolarHBondContact O-N 3.32Å; Y179-I211 HydrophobicContact CD1-CB 3.84Å; Y179-I211 HydrophobicContact CD1-CG2 3.96Å; Y179-I211 HydrophobicContact CE1-CB 3.94Å; Y179-I211 HydrophobicContact CE1-CG1 4.27Å; Y179-I211 HydrophobicContact CE1-CG2 3.8Å; L180-I211 PolarHBondContact N-O 3.21Å; L209-I211 HydrophobicContact CD2-CD1 3.63Å; L209-I211 HydrophobicContact CG-CD1 3.86Å; I211-V240 HydrophobicContact CD1-CB 3.92Å; I211-V240 HydrophobicContact CD1-CG2 3.99Å; I211-I242 HydrophobicContact CG2-CD1 3.73Å
212	S	98.9	Very high	97.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	101.4	-177.8	-157.7	0	0	0	0	109.9	L180 E214 V240 I242	L180-S212 CarbonylContact O-C 3.47Å; L180-S212 WeakPolarHBondContact O-CA 3.45Å; S212-E214 WeakPolarHBondContact CB-OE1 3.45Å; S212-E214 PolarHBondContact O-N 2.57Å; S212-E214 VanDerWaalsContact OG-CG 3.28Å; S212-E214 WeakPolarHBondContact OG-CG 3.21Å; S212-E214 PolarHBondContact OG-OE1 2.76Å; S212-V240 PolarHBondContact N-O 3.13Å; S212-I242 PolarHBondContact O-N 2.88Å
213	D	98.9	Very high	97.3	Very high	6 Å²	6	39 Å²	39	3%	0.032	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	97.9	172.1	-172	-11.1	0	0	0	109.6	L105 Y129 L180 N181 N182 V215	L105-D213 HydrophobicContact CD2-CB 4.3Å; Y129-D213 WeakPolarHBondContact OH-CB 3.5Å; Y129-D213 VanDerWaalsContact OH-CG 3.32Å; Y129-D213 PolarHBondContact OH-OD2 3.19Å; L180-D213 PolarHBondContact O-N 3.18Å; N181-D213 WeakPolarHBondContact CA-O 3.39Å; N181-D213 HydrophobicContact CB-CB 4.32Å; N181-D213 PolarHBondContact ND2-O 2.61Å; N182-D213 PolarHBondContact N-O 2.78Å; D213-V215 VanDerWaalsContact OD1-CG1 3.27Å; D213-V215 WeakPolarHBondContact OD1-CG1 3.5Å; D213-V215 WeakPolarHBondContact OD1-CG2 3.45Å
214	E	98.8	Very high	97.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.194	C	C	.	.			trans	-112.3	27.8	-172.6	-60	-176	-176.4	0	0	111.7	N182 S212 Y216 E217 M226 R228 F229 T241 I242	N182-E214 WeakPolarHBondContact O-CA 3.42Å; S212-E214 WeakPolarHBondContact CB-OE1 3.45Å; S212-E214 PolarHBondContact O-N 2.57Å; S212-E214 VanDerWaalsContact OG-CG 3.28Å; S212-E214 WeakPolarHBondContact OG-CG 3.21Å; S212-E214 PolarHBondContact OG-OE1 2.76Å; E214-Y216 PolarHBondContact O-N 2.95Å; E214-E217 HydrophobicContact CB-CB 4.42Å; E214-E217 VanDerWaalsContact O-CB 3.25Å; E214-E217 WeakPolarHBondContact O-CB 3.29Å; E214-E217 PolarHBondContact O-N 3.08Å; E214-M226 HydrophobicContact CB-CE 3.87Å; E214-M226 HydrophobicContact CG-CE 3.73Å; E214-M226 WeakPolarHBondContact OE2-CE 3.2Å; E214-R228 WeakPolarHBondContact OE2-CG 3.48Å; E214-F229 PolarHBondContact OE1-N 2.99Å; E214-T241 HydrophobicContact CB-CG2 4.41Å; E214-T241 HydrophobicContact CG-CG2 4.28Å; E214-T241 WeakPolarHBondContact OE2-CG2 2.89Å; E214-I242 CarbonylContact C-O 3.56Å; E214-I242 PolarHBondContact N-O 3.25Å
215	V	98.5	Very high	97	Very high	13 Å²	13	42.6 Å²	42.6	8%	0.079	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-23	-175.4	-65.8	0	0	0	0	114.6	A101 D213 K247	A101-V215 HydrophobicContact CB-CG1 3.35Å; D213-V215 VanDerWaalsContact OD1-CG1 3.27Å; D213-V215 WeakPolarHBondContact OD1-CG1 3.5Å; D213-V215 WeakPolarHBondContact OD1-CG2 3.45Å; V215-K247 HydrophobicContact CB-CB 4.31Å; V215-K247 HydrophobicContact CB-CG 4.02Å; V215-K247 HydrophobicContact CG2-CG 4.22Å; V215-K247 WeakPolarHBondContact O-CB 3.42Å
216	Y	98.1	Very high	97	Very high	11 Å²	11	36.1 Å²	36.1	4%	0.043	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	14.3	178.1	-60.9	-63.1	0	0	0	113.4	P183 N185 E214 W218 L219 K247 Y338 F339	P183-Y216 VanDerWaalsContact CD-C 3.49Å; P183-Y216 WeakPolarHBondContact CG-O 3.44Å; N185-Y216 HydrophobicContact CB-CD2 4.47Å; N185-Y216 HydrophobicContact CB-CE2 3.71Å; E214-Y216 PolarHBondContact O-N 2.95Å; Y216-W218 PolarHBondContact O-N 2.66Å; Y216-L219 HydrophobicContact CD1-CD1 3.93Å; Y216-L219 PolarHBondContact O-N 2.73Å; Y216-K247 HydrophobicContact CD1-CB 4.32Å; Y216-K247 HydrophobicContact CD1-CG 4.37Å; Y216-K247 HydrophobicContact CE1-CB 4.32Å; Y216-K247 HydrophobicContact CE1-CD 3.87Å; Y216-K247 HydrophobicContact CE1-CG 3.92Å; Y216-Y338 HydrophobicContact CD1-CE1 4.49Å; Y216-Y338 HydrophobicContact CE1-CD1 4.02Å; Y216-Y338 HydrophobicContact CE1-CD2 4.44Å; Y216-Y338 AromaticContact CE1-CE1 3.42Å; Y216-Y338 HydrophobicContact CE1-CE1 3.42Å; Y216-Y338 VanDerWaalsContact CE1-CE1 3.42Å; Y216-Y338 AromaticContact CE1-CE2 3.98Å; Y216-Y338 HydrophobicContact CE1-CE2 3.98Å; Y216-Y338 AromaticContact CE1-CZ 3.48Å; Y216-Y338 VanDerWaalsContact CE1-CZ 3.48Å; Y216-Y338 AromaticContact CZ-CE1 3.68Å; Y216-Y338 WeakPolarHBondContact OH-CE1 3.32Å; Y216-F339 WeakPolarHBondContact OH-CE2 3.44Å
217	E	98.1	Very high	97	Very high	3 Å²	3	32.9 Å²	32.9	1%	0.014	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-23.4	-173.5	67.1	-180	123.7	0	0	115.5	Y81 E214 I220 M226 R228	Y81-E217 PolarHBondContact OH-OE1 2.88Å; E214-E217 HydrophobicContact CB-CB 4.42Å; E214-E217 VanDerWaalsContact O-CB 3.25Å; E214-E217 WeakPolarHBondContact O-CB 3.29Å; E214-E217 PolarHBondContact O-N 3.08Å; E217-I220 WeakPolarHBondContact O-CG1 3.49Å; E217-M226 HydrophobicContact CB-CE 3.85Å; E217-M226 HydrophobicContact CB-CG 3.98Å; E217-M226 HydrophobicContact CB-SD 4.21Å; E217-R228 IonicContact OE2-CZ 2.65Å; E217-R228 VanDerWaalsContact OE2-CZ 3.24Å; E217-R228 IonicContact OE2-NE 3.5Å; E217-R228 PolarHBondContact OE2-NE 2.7Å; E217-R228 IonicContact OE2-NH2 3.99Å; E217-R228 PolarHBondContact OE2-NH2 2.98Å
218	W	97	Very high	97	Very high	21 Å²	21	28 Å²	28	8%	0.08	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-11.1	179.5	-56.8	108.7	0	0	0	113.5	F80 L84 Y216 I220 R228 Y299 F306 P310	F80-W218 HydrophobicContact CD1-CZ2 4.38Å; F80-W218 AromaticContact CE1-CH2 3.59Å; F80-W218 HydrophobicContact CE1-CH2 3.59Å; F80-W218 AromaticContact CE1-CZ2 3.29Å; F80-W218 HydrophobicContact CE1-CZ2 3.29Å; F80-W218 HydrophobicContact CE2-CH2 4.18Å; F80-W218 AromaticContact CZ-CH2 3.21Å; F80-W218 HydrophobicContact CZ-CH2 3.21Å; F80-W218 AromaticContact CZ-CZ2 3.48Å; F80-W218 HydrophobicContact CZ-CZ2 3.48Å; F80-W218 VanDerWaalsContact CZ-CZ2 3.48Å; F80-W218 HydrophobicContact CZ-CZ3 4.22Å; L84-W218 HydrophobicContact CD1-CH2 3.83Å; L84-W218 HydrophobicContact CD1-CZ2 3.94Å; L84-W218 HydrophobicContact CD2-CH2 4.02Å; Y216-W218 PolarHBondContact O-N 2.66Å; W218-I220 PolarHBondContact O-N 3.21Å; W218-R228 VanDerWaalsContact CH2-NH2 3.27Å; W218-Y299 HydrophobicContact CZ3-CE2 4.07Å; W218-F306 HydrophobicContact CB-CB 4.37Å; W218-F306 HydrophobicContact CD2-CB 3.77Å; W218-F306 HydrophobicContact CD2-CD2 4.3Å; W218-F306 AromaticContact CD2-CG 3.95Å; W218-F306 HydrophobicContact CD2-CG 3.95Å; W218-F306 HydrophobicContact CE3-CB 3.6Å; W218-F306 HydrophobicContact CE3-CD2 4.36Å; W218-F306 HydrophobicContact CE3-CG 4.15Å; W218-F306 HydrophobicContact CG-CB 4.1Å; W218-F306 HydrophobicContact CG-CD1 4.43Å; W218-F306 HydrophobicContact CG-CG 4.29Å; W218-F306 HydrophobicContact CH2-CD2 4.39Å; W218-F306 HydrophobicContact CZ2-CD2 4.34Å; W218-F306 HydrophobicContact CZ3-CB 4.24Å; W218-F306 HydrophobicContact CZ3-CD2 4.38Å; W218-P310 WeakPolarHBondContact O-CG 3.48Å
219	L	96.8	Very high	97	Very high	6 Å²	6	27.9 Å²	27.9	3%	0.031	14%	0.139	C	C	.	.			trans	-98.1	69.3	-178.9	-57.8	-170.2	0	0	0	109.6	Y216 M309 L313 G336 G337 Y338	Y216-L219 HydrophobicContact CD1-CD1 3.93Å; Y216-L219 PolarHBondContact O-N 2.73Å; L219-M309 HydrophobicContact CD2-CB 4.1Å; L219-L313 HydrophobicContact CD1-CD1 4.32Å; L219-L313 HydrophobicContact CD2-CD1 3.92Å; L219-G336 CarbonylContact O-C 3.42Å; L219-G336 WeakPolarHBondContact O-CA 3.49Å; L219-G337 PolarHBondContact O-N 2.81Å; L219-Y338 HydrophobicContact CD1-CD2 3.73Å; L219-Y338 HydrophobicContact CD1-CE2 4.4Å; L219-Y338 HydrophobicContact CD1-CG 4.19Å
220	I	97.5	Very high	97	Very high	27 Å²	27	27.4 Å²	27.4	14%	0.138	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-115.7	127.7	-179.9	-47.4	-64.9	0	0	0	108.7	P183 V190 E217 W218 S224 M226 P310	P183-I220 HydrophobicContact CG-CD1 3.32Å; V190-I220 HydrophobicContact CG1-CD1 4.37Å; V190-I220 HydrophobicContact CG2-CD1 4Å; E217-I220 WeakPolarHBondContact O-CG1 3.49Å; W218-I220 PolarHBondContact O-N 3.21Å; I220-S224 WeakPolarHBondContact CG2-O 3.19Å; I220-M226 HydrophobicContact CD1-CB 3.86Å; I220-M226 HydrophobicContact CD1-SD 4.35Å; I220-M226 HydrophobicContact CG1-CB 3.78Å; I220-P310 VanDerWaalsContact O-CB 3.28Å; I220-P310 WeakPolarHBondContact O-CB 3.42Å
221	Y	96.5	Very high	97	Very high	6 Å²	6	29.7 Å²	29.7	2%	0.024	15%	0.153	C	C	.	.			trans	-90.2	173.5	179.6	-57.7	-57.8	0	0	0	111.8	S224 P310 L313 Q314 P334 E335 G337 F403	Y221-S224 PolarHBondContact O-N 3.34Å; Y221-P310 HydrophobicContact CD1-CB 4.42Å; Y221-P310 HydrophobicContact CE1-CB 4.5Å; Y221-L313 HydrophobicContact CE1-CB 3.98Å; Y221-Q314 HydrophobicContact CD1-CB 3.68Å; Y221-Q314 HydrophobicContact CD1-CG 3.94Å; Y221-Q314 HydrophobicContact CE1-CB 4.06Å; Y221-Q314 HydrophobicContact CG-CG 4.42Å; Y221-P334 WeakPolarHBondContact CD2-O 3.37Å; Y221-E335 VanDerWaalsContact CD2-C 3.5Å; Y221-E335 WeakPolarHBondContact CD2-O 3.32Å; Y221-E335 PolarHBondContact N-O 3.31Å; Y221-G337 VanDerWaalsContact CE2-O 3.28Å; Y221-G337 WeakPolarHBondContact CE2-O 3.17Å; Y221-G337 VanDerWaalsContact CZ-O 3.26Å; Y221-G337 PolarHBondContact OH-O 3.5Å; Y221-F403 HydrophobicContact CE2-CE2 4.49Å; Y221-F403 AromaticContact CE2-CZ 3.92Å; Y221-F403 HydrophobicContact CE2-CZ 3.92Å; Y221-F403 AromaticContact CZ-CE2 3.91Å; Y221-F403 AromaticContact CZ-CZ 3.79Å; Y221-F403 WeakPolarHBondContact OH-CE2 3.38Å; Y221-F403 WeakPolarHBondContact OH-CZ 3.03Å
222	E	89	Confident	97	Very high	111 Å²	111	30 Å²	30	52%	0.519	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49	147.7	178	65	-174.1	-171.9	0	0	113.4	S224 Q314	E222-S224 PolarHBondContact O-N 2.92Å; E222-Q314 PolarHBondContact OE1-NE2 2.98Å; E222-Q314 PolarHBondContact OE2-NE2 2.83Å
223	N	89.3	Confident	97	Very high	162 Å²	162	34.9 Å²	34.9	87%	0.866	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.6	7.3	-179.2	-47.4	-55.7	0	0	0	116
224	S	95.2	Very high	96.9	Very high	32 Å²	32	36.8 Å²	36.8	22%	0.224	21%	0.208	C	C	.	.			trans	-119.3	155.1	174.7	-62.9	0	0	0	0	112	I220 Y221 E222 E335	I220-S224 WeakPolarHBondContact CG2-O 3.19Å; Y221-S224 PolarHBondContact O-N 3.34Å; E222-S224 PolarHBondContact O-N 2.92Å; S224-E335 WeakPolarHBondContact OG-CB 3.37Å; S224-E335 WeakPolarHBondContact OG-CG 3.3Å
225	E	95.7	Very high	96.9	Very high	121 Å²	121	36.8 Å²	36.8	57%	0.565	21%	0.208	S	C	*	.			trans	-128.7	130.7	178.5	-176.1	-169.4	176.7	0	0	109.6	V190 R193 I227	V190-E225 WeakPolarHBondContact CG1-O 3.48Å; R193-E225 IonicContact NH2-OE1 2.9Å; E225-I227 HydrophobicContact CG-CG1 4.25Å; E225-I227 PolarHBondContact O-N 3.06Å
226	M	97.4	Very high	96.9	Very high	23 Å²	23	37.1 Å²	37.1	11%	0.113	21%	0.208	C	C	.	.			trans	-76.9	110.1	169.2	179.4	60	-170.9	0	0	110.6	N182 E214 E217 I220 R228	N182-M226 WeakPolarHBondContact O-CE 3.38Å; E214-M226 HydrophobicContact CB-CE 3.87Å; E214-M226 HydrophobicContact CG-CE 3.73Å; E214-M226 WeakPolarHBondContact OE2-CE 3.2Å; E217-M226 HydrophobicContact CB-CE 3.85Å; E217-M226 HydrophobicContact CB-CG 3.98Å; E217-M226 HydrophobicContact CB-SD 4.21Å; I220-M226 HydrophobicContact CD1-CB 3.86Å; I220-M226 HydrophobicContact CD1-SD 4.35Å; I220-M226 HydrophobicContact CG1-CB 3.78Å; M226-R228 HydrophobicContact CE-CG 4.08Å; M226-R228 HydrophobicContact CG-CG 4.48Å
227	I	98.3	Very high	96.9	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.036	23%	0.23	C	C	.	.			trans	-103.2	111.4	169.8	-60.6	167.4	0	0	0	108	N182 R193 L196 E225 F229 L232	N182-I227 PolarHBondContact ND2-O 3.39Å; R193-I227 VanDerWaalsContact CA-CD1 3.46Å; R193-I227 HydrophobicContact CB-CD1 3.41Å; R193-I227 VanDerWaalsContact CB-CD1 3.41Å; R193-I227 HydrophobicContact CG-CD1 4.08Å; L196-I227 HydrophobicContact CD1-CB 3.56Å; L196-I227 HydrophobicContact CD1-CD1 4.44Å; L196-I227 HydrophobicContact CD1-CG2 3.69Å; E225-I227 HydrophobicContact CG-CG1 4.25Å; E225-I227 PolarHBondContact O-N 3.06Å; I227-F229 PolarHBondContact O-N 3.04Å; I227-L232 HydrophobicContact CG2-CD2 4.03Å; I227-L232 HydrophobicContact CG2-CG 4.45Å
228	R	98.5	Very high	96.9	Very high	21 Å²	21	43.4 Å²	43.4	8%	0.079	24%	0.239	C	C	.	.			trans	-70.2	124.8	174.7	-62.4	179.8	179.9	69.4	8.3	108.8	L85 E214 E217 W218 M226 A230 S231	L85-R228 HydrophobicContact CD2-CB 3.69Å; L85-R228 HydrophobicContact CD2-CG 4.41Å; E214-R228 WeakPolarHBondContact OE2-CG 3.48Å; E217-R228 IonicContact OE2-CZ 2.65Å; E217-R228 VanDerWaalsContact OE2-CZ 3.24Å; E217-R228 IonicContact OE2-NE 3.5Å; E217-R228 PolarHBondContact OE2-NE 2.7Å; E217-R228 IonicContact OE2-NH2 3.99Å; E217-R228 PolarHBondContact OE2-NH2 2.98Å; W218-R228 VanDerWaalsContact CH2-NH2 3.27Å; M226-R228 HydrophobicContact CE-CG 4.08Å; M226-R228 HydrophobicContact CG-CG 4.48Å; R228-A230 VanDerWaalsContact C-N 3.25Å; R228-A230 PolarHBondContact O-N 2.85Å; R228-S231 WeakPolarHBondContact O-CB 3.5Å; R228-S231 PolarHBondContact O-N 3.1Å; R228-S231 PolarHBondContact O-OG 2.72Å
229	F	98.8	Very high	97	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-63.2	-35.6	-167.8	-172.5	-105.2	0	0	0	112.7	L180 L196 I199 A200 V210 E214 I227 S231 L232 M235 T239	L180-F229 HydrophobicContact CD2-CB 3.82Å; L180-F229 HydrophobicContact CD2-CD1 4.28Å; L180-F229 HydrophobicContact CD2-CD2 3.44Å; L180-F229 VanDerWaalsContact CD2-CD2 3.44Å; L180-F229 HydrophobicContact CD2-CE2 3.97Å; L180-F229 HydrophobicContact CD2-CG 3.59Å; L196-F229 HydrophobicContact CB-CD2 4.18Å; L196-F229 HydrophobicContact CB-CE2 4.41Å; L196-F229 HydrophobicContact CD2-CD2 3.84Å; L196-F229 HydrophobicContact CD2-CE2 4.42Å; L196-F229 WeakPolarHBondContact O-CE2 3.45Å; I199-F229 HydrophobicContact CB-CE2 4.09Å; I199-F229 HydrophobicContact CB-CZ 4.38Å; I199-F229 HydrophobicContact CG2-CE2 3.91Å; I199-F229 HydrophobicContact CG2-CZ 3.81Å; A200-F229 HydrophobicContact CB-CE2 4.13Å; A200-F229 HydrophobicContact CB-CZ 4.02Å; V210-F229 HydrophobicContact CB-CD1 4Å; V210-F229 HydrophobicContact CB-CE1 3.55Å; V210-F229 HydrophobicContact CB-CZ 4.47Å; V210-F229 HydrophobicContact CG1-CD1 3.68Å; V210-F229 HydrophobicContact CG1-CE1 3.51Å; V210-F229 HydrophobicContact CG1-CZ 4.26Å; V210-F229 HydrophobicContact CG2-CD1 4.43Å; V210-F229 HydrophobicContact CG2-CE1 3.5Å; V210-F229 HydrophobicContact CG2-CZ 4.04Å; E214-F229 PolarHBondContact OE1-N 2.99Å; I227-F229 PolarHBondContact O-N 3.04Å; F229-S231 PolarHBondContact O-N 3Å; F229-L232 HydrophobicContact CD2-CD1 4.09Å; F229-L232 HydrophobicContact CE2-CD1 4.24Å; F229-L232 WeakPolarHBondContact O-CB 3.5Å; F229-L232 PolarHBondContact O-N 2.99Å; F229-L232 VanDerWaalsContact O-N 3.16Å; F229-M235 HydrophobicContact CD1-CE 4.22Å; F229-M235 HydrophobicContact CE1-CB 4.43Å; F229-M235 HydrophobicContact CE1-CE 3.19Å; F229-M235 HydrophobicContact CE1-CG 4.26Å; F229-M235 HydrophobicContact CE1-SD 4.5Å; F229-M235 HydrophobicContact CZ-CE 3.55Å; F229-M235 HydrophobicContact CZ-CG 4.44Å; F229-M235 WeakPolarHBondContact O-CB 3.23Å; F229-T239 HydrophobicContact CD1-CG2 4Å
230	A	98.7	Very high	97.1	Very high	5 Å²	5	42.1 Å²	42.1	4%	0.041	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-66.5	-15.6	177.6	0	0	0	0	0	114.4	L85 R228 L232 W236 T239	L85-A230 HydrophobicContact CD2-CB 4.13Å; R228-A230 VanDerWaalsContact C-N 3.25Å; R228-A230 PolarHBondContact O-N 2.85Å; A230-L232 VanDerWaalsContact C-N 3.3Å; A230-W236 HydrophobicContact CB-CE3 4.33Å; A230-W236 PolarHBondContact O-N 3.24Å; A230-T239 HydrophobicContact CB-CG2 3.94Å
231	S	98.5	Very high	97.2	Very high	48 Å²	48	40.9 Å²	40.9	34%	0.336	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-80.8	-10.9	175.5	78.3	0	0	0	0	113.1	R228 F229	R228-S231 WeakPolarHBondContact O-CB 3.5Å; R228-S231 PolarHBondContact O-N 3.1Å; R228-S231 PolarHBondContact O-OG 2.72Å; F229-S231 PolarHBondContact O-N 3Å
232	L	98.6	Very high	97.3	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.031	23%	0.226	C	C	.	.	S	Bend	trans	-70.7	147.7	175.8	-64.8	-176.3	0	0	0	111.6	L196 E197 A200 I227 F229 A230 G234 M235	L196-L232 HydrophobicContact CB-CD1 3.65Å; E197-L232 HydrophobicContact CG-CD1 4.36Å; E197-L232 HydrophobicContact CG-CD2 4.3Å; A200-L232 HydrophobicContact CB-CD1 4.1Å; I227-L232 HydrophobicContact CG2-CD2 4.03Å; I227-L232 HydrophobicContact CG2-CG 4.45Å; F229-L232 HydrophobicContact CD2-CD1 4.09Å; F229-L232 HydrophobicContact CE2-CD1 4.24Å; F229-L232 WeakPolarHBondContact O-CB 3.5Å; F229-L232 PolarHBondContact O-N 2.99Å; F229-L232 VanDerWaalsContact O-N 3.16Å; A230-L232 VanDerWaalsContact C-N 3.3Å; L232-G234 PolarHBondContact O-N 2.85Å; L232-G234 VanDerWaalsContact O-N 3.16Å; L232-M235 HydrophobicContact CB-CB 4.25Å; L232-M235 HydrophobicContact CB-CG 3.84Å; L232-M235 WeakPolarHBondContact O-CB 3.46Å; L232-M235 PolarHBondContact O-N 2.83Å
233	P	98	Very high	97.7	Very high	104 Å²	104	35.3 Å²	35.3	68%	0.675	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	121	-178.5	-27.4	35.3	0	0	0	113.4	M235	P233-M235 VanDerWaalsContact C-N 3.33Å
234	G	97.5	Very high	98.2	Very high	46 Å²	46	28.2 Å²	28.2	47%	0.474	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	6.3	178.4	0	0	0	0	0	115.4	L232	L232-G234 PolarHBondContact O-N 2.85Å; L232-G234 VanDerWaalsContact O-N 3.16Å
235	M	98.7	Very high	98.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-22.3	-176.8	-62.4	-44.2	-65.8	0	0	114.6	A200 A203 K204 V210 F229 L232 P233 D237 R238 T239	A200-M235 HydrophobicContact CB-CE 4.25Å; A200-M235 HydrophobicContact CB-CG 3.64Å; A200-M235 HydrophobicContact CB-SD 3.61Å; A203-M235 HydrophobicContact CB-CE 3.72Å; K204-M235 HydrophobicContact CD-SD 4.2Å; K204-M235 HydrophobicContact CG-SD 3.86Å; V210-M235 HydrophobicContact CG2-CE 4.2Å; F229-M235 HydrophobicContact CD1-CE 4.22Å; F229-M235 HydrophobicContact CE1-CB 4.43Å; F229-M235 HydrophobicContact CE1-CE 3.19Å; F229-M235 HydrophobicContact CE1-CG 4.26Å; F229-M235 HydrophobicContact CE1-SD 4.5Å; F229-M235 HydrophobicContact CZ-CE 3.55Å; F229-M235 HydrophobicContact CZ-CG 4.44Å; F229-M235 WeakPolarHBondContact O-CB 3.23Å; L232-M235 HydrophobicContact CB-CB 4.25Å; L232-M235 HydrophobicContact CB-CG 3.84Å; L232-M235 WeakPolarHBondContact O-CB 3.46Å; L232-M235 PolarHBondContact O-N 2.83Å; P233-M235 VanDerWaalsContact C-N 3.33Å; M235-D237 VanDerWaalsContact C-N 3.32Å; M235-D237 PolarHBondContact O-N 2.89Å; M235-R238 HydrophobicContact CE-CG 3.61Å; M235-R238 CarbonylContact O-C 3.44Å; M235-R238 PolarHBondContact O-N 3.42Å; M235-R238 VanDerWaalsContact O-N 3.14Å; M235-R238 HydrophobicContact SD-CG 4.18Å; M235-T239 VanDerWaalsContact O-CB 3.28Å; M235-T239 WeakPolarHBondContact O-CB 3.15Å; M235-T239 PolarHBondContact O-N 2.99Å; M235-T239 PolarHBondContact O-OG1 2.95Å
236	W	98.5	Very high	98.2	Very high	19 Å²	19	21 Å²	21	7%	0.072	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-51	-50.4	174.4	173	-106.8	0	0	0	112.3	L85 H87 V89 E94 A230 R238 T239 I260 P262	L85-W236 HydrophobicContact CD1-CE3 4.14Å; L85-W236 HydrophobicContact CD1-CZ3 3.67Å; H87-W236 AromaticContact CD2-CD2 3.7Å; H87-W236 AromaticContact CD2-CE2 3.32Å; H87-W236 AromaticContact CD2-CZ2 3.59Å; H87-W236 AromaticContact CD2-NE1 3.51Å; H87-W236 AromaticContact CE1-CD1 3.53Å; H87-W236 AromaticContact CE1-NE1 3.53Å; H87-W236 AromaticContact NE2-CD1 3.55Å; H87-W236 AromaticContact NE2-CE2 3.39Å; H87-W236 AromaticContact NE2-CZ2 3.89Å; H87-W236 AromaticContact NE2-NE1 3.03Å; H87-W236 PolarHBondContact NE2-NE1 3.44Å; V89-W236 HydrophobicContact CG1-CH2 4.43Å; V89-W236 HydrophobicContact CG2-CH2 3.86Å; V89-W236 HydrophobicContact CG2-CZ3 4.26Å; E94-W236 HydrophobicContact CB-CZ2 4.47Å; E94-W236 HydrophobicContact CG-CZ2 4.47Å; A230-W236 HydrophobicContact CB-CE3 4.33Å; A230-W236 PolarHBondContact O-N 3.24Å; W236-R238 PolarHBondContact O-N 3.06Å; W236-T239 PolarHBondContact O-N 2.87Å; W236-I260 HydrophobicContact CH2-CG2 3.92Å; W236-I260 HydrophobicContact CZ3-CG2 3.95Å; W236-P262 HydrophobicContact CZ2-CB 4.37Å; W236-P262 WeakPolarHBondContact O-CD 3.39Å; W236-P262 WeakPolarHBondContact O-CG 3.29Å
237	D	98.2	Very high	98.1	Very high	96 Å²	96	22 Å²	22	51%	0.513	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-66.7	-3.6	-175.5	-66.3	-54	0	0	0	114.8	M235 H264	M235-D237 VanDerWaalsContact C-N 3.32Å; M235-D237 PolarHBondContact O-N 2.89Å; D237-H264 PolarHBondContact O-CE1 2.78Å; D237-H264 VanDerWaalsContact O-CE1 3.27Å; D237-H264 PolarHBondContact O-NE2 3.15Å
238	R	98.5	Very high	98	Very high	51 Å²	51	22 Å²	22	19%	0.192	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-142.7	23.8	-175.9	65.7	-179.4	65.5	-140	-5.3	113.7	A203 K204 V210 M235 W236	A203-R238 PolarHBondContact O-NH1 2.98Å; K204-R238 VanDerWaalsContact CA-NH1 3.32Å; K204-R238 PolarHBondContact O-NH1 2.77Å; V210-R238 PolarHBondContact N-O 3.46Å; M235-R238 HydrophobicContact CE-CG 3.61Å; M235-R238 CarbonylContact O-C 3.44Å; M235-R238 PolarHBondContact O-N 3.42Å; M235-R238 VanDerWaalsContact O-N 3.14Å; M235-R238 HydrophobicContact SD-CG 4.18Å; W236-R238 PolarHBondContact O-N 3.06Å
239	T	98.9	Very high	97.8	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136.3	-179.8	-54.7	0	0	0	0	111.2	V210 F229 A230 M235 W236 C261	V210-T239 CarbonylContact O-C 3.59Å; V210-T239 VanDerWaalsContact O-CA 3.29Å; V210-T239 WeakPolarHBondContact O-CA 3.49Å; F229-T239 HydrophobicContact CD1-CG2 4Å; A230-T239 HydrophobicContact CB-CG2 3.94Å; M235-T239 VanDerWaalsContact O-CB 3.28Å; M235-T239 WeakPolarHBondContact O-CB 3.15Å; M235-T239 PolarHBondContact O-N 2.99Å; M235-T239 PolarHBondContact O-OG1 2.95Å; W236-T239 PolarHBondContact O-N 2.87Å; T239-C261 WeakPolarHBondContact O-CB 3.46Å
240	V	98.9	Very high	97.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	109	162.4	-178.2	0	0	0	0	108.4	F112 L209 V210 I211 S212 I242 A259 C261 L265 L269	F112-V240 HydrophobicContact CE2-CG2 4.3Å; L209-V240 HydrophobicContact CD1-CG2 4.32Å; V210-V240 PolarHBondContact O-N 3.25Å; I211-V240 HydrophobicContact CD1-CB 3.92Å; I211-V240 HydrophobicContact CD1-CG2 3.99Å; S212-V240 PolarHBondContact N-O 3.13Å; V240-I242 HydrophobicContact CG1-CG1 4.19Å; V240-A259 HydrophobicContact CG1-CB 4.01Å; V240-C261 HydrophobicContact CB-CB 4.29Å; V240-C261 HydrophobicContact CG1-CB 4.43Å; V240-C261 HydrophobicContact CG2-CB 3.9Å; V240-L265 HydrophobicContact CG2-CD1 4.48Å; V240-L269 HydrophobicContact CG1-CD2 3.96Å; V240-L269 HydrophobicContact CG2-CD1 4.43Å
241	T	98.9	Very high	97.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	128.5	175.9	-61.7	0	0	0	0	110	E214 A259 I260	E214-T241 HydrophobicContact CB-CG2 4.41Å; E214-T241 HydrophobicContact CG-CG2 4.28Å; E214-T241 WeakPolarHBondContact OE2-CG2 2.89Å; T241-A259 CarbonylContact O-C 3.5Å; T241-A259 WeakPolarHBondContact O-CA 3.39Å; T241-I260 PolarHBondContact N-O 3.5Å; T241-I260 PolarHBondContact O-N 3.24Å
242	I	98.9	Very high	96.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.9	-176.1	-63.4	175	0	0	0	110	A101 A104 L105 I211 S212 E214 V240 W258	A101-I242 HydrophobicContact CB-CG2 3.49Å; A101-I242 VanDerWaalsContact CB-CG2 3.49Å; A104-I242 HydrophobicContact CB-CB 4.46Å; A104-I242 HydrophobicContact CB-CD1 3.88Å; A104-I242 HydrophobicContact CB-CG1 3.92Å; A104-I242 HydrophobicContact CB-CG2 3.78Å; L105-I242 HydrophobicContact CB-CD1 4.46Å; L105-I242 HydrophobicContact CD2-CD1 3.67Å; L105-I242 HydrophobicContact CG-CD1 3.82Å; I211-I242 HydrophobicContact CG2-CD1 3.73Å; S212-I242 PolarHBondContact O-N 2.88Å; E214-I242 CarbonylContact C-O 3.56Å; E214-I242 PolarHBondContact N-O 3.25Å; V240-I242 HydrophobicContact CG1-CG1 4.19Å; I242-W258 WeakPolarHBondContact CA-O 3.23Å
243	G	98.7	Very high	96.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	170.9	174.6	0	0	0	0	0	113.3	G257 W258	G243-G257 VanDerWaalsContact O-CA 3.27Å; G243-G257 WeakPolarHBondContact O-CA 3.41Å; G243-W258 PolarHBondContact N-O 2.72Å; G243-W258 VanDerWaalsContact N-O 3.09Å; G243-W258 PolarHBondContact O-N 2.9Å; G243-W258 VanDerWaalsContact O-N 3.15Å
244	S	98.5	Very high	96.6	Very high	13 Å²	13	20.8 Å²	20.8	9%	0.091	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	124.4	-176.1	-175.6	0	0	0	0	113.5	G246 K247 T248	S244-G246 PolarHBondContact O-N 2.79Å; S244-G246 PolarHBondContact OG-N 2.87Å; S244-K247 PolarHBondContact O-N 2.93Å; S244-K247 VanDerWaalsContact O-N 3.1Å; S244-T248 WeakPolarHBondContact O-CB 3.01Å; S244-T248 PolarHBondContact O-N 2.55Å; S244-T248 PolarHBondContact O-OG1 3.12Å
245	V	97.4	Very high	96.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-52.7	-40	168.4	175.8	0	0	0	0	111.1	K247 T248 F249 L251 W254 T256 W258 V288	V245-K247 PolarHBondContact O-N 2.84Å; V245-T248 PolarHBondContact O-N 2.96Å; V245-F249 HydrophobicContact CG1-CD2 3.98Å; V245-F249 PolarHBondContact O-N 3.47Å; V245-L251 HydrophobicContact CG1-CB 4.42Å; V245-W254 HydrophobicContact CG1-CB 4.49Å; V245-W254 HydrophobicContact CG1-CE3 4.11Å; V245-T256 VanDerWaalsContact CB-O 3.3Å; V245-T256 WeakPolarHBondContact CB-O 3.3Å; V245-T256 HydrophobicContact CG2-CG2 3.68Å; V245-T256 WeakPolarHBondContact CG2-O 3.23Å; V245-T256 PolarHBondContact N-O 3.26Å; V245-W258 HydrophobicContact CG2-CE3 4.35Å; V245-W258 HydrophobicContact CG2-CZ3 3.65Å; V245-V288 HydrophobicContact CB-CG2 4.47Å; V245-V288 HydrophobicContact CG1-CG1 4.42Å; V245-V288 HydrophobicContact CG1-CG2 3.71Å; V245-V288 HydrophobicContact CG2-CB 4.42Å; V245-V288 HydrophobicContact CG2-CG1 3.57Å; V245-V288 HydrophobicContact CG2-CG2 3.89Å
246	G	94.8	Very high	96.6	Very high	3 Å²	3	23.5 Å²	23.5	3%	0.031	13%	0.131	C	C	.	.	H	α-helix	trans	-63.2	-28.1	-176.1	0	0	0	0	0	113.9	S244 S250 L251 T252	S244-G246 PolarHBondContact O-N 2.79Å; S244-G246 PolarHBondContact OG-N 2.87Å; G246-S250 CarbonylContact O-C 3.59Å; G246-S250 WeakPolarHBondContact O-CA 3.08Å; G246-L251 VanDerWaalsContact CA-C 3.5Å; G246-L251 WeakPolarHBondContact CA-O 3.42Å; G246-L251 PolarHBondContact O-N 3.1Å; G246-T252 WeakPolarHBondContact O-CG2 3.35Å
247	K	94.9	Very high	96.6	Very high	44 Å²	44	22.6 Å²	22.6	19%	0.191	13%	0.128	C	C	.	.	H	α-helix	trans	-98.9	-33.3	178.4	-55.9	-46	-177.5	-170.7	0	111.9	G36 V215 Y216 S244 V245 T252 Y338	G36-K247 PolarHBondContact O-NZ 2.91Å; V215-K247 HydrophobicContact CB-CB 4.31Å; V215-K247 HydrophobicContact CB-CG 4.02Å; V215-K247 HydrophobicContact CG2-CG 4.22Å; V215-K247 WeakPolarHBondContact O-CB 3.42Å; Y216-K247 HydrophobicContact CD1-CB 4.32Å; Y216-K247 HydrophobicContact CD1-CG 4.37Å; Y216-K247 HydrophobicContact CE1-CB 4.32Å; Y216-K247 HydrophobicContact CE1-CD 3.87Å; Y216-K247 HydrophobicContact CE1-CG 3.92Å; S244-K247 PolarHBondContact O-N 2.93Å; S244-K247 VanDerWaalsContact O-N 3.1Å; V245-K247 PolarHBondContact O-N 2.84Å; K247-T252 HydrophobicContact CD-CG2 4.39Å; K247-Y338 HydrophobicContact CD-CE2 4.37Å; K247-Y338 VanDerWaalsContact CD-OH 3.31Å; K247-Y338 WeakPolarHBondContact CD-OH 3.27Å; K247-Y338 VanDerWaalsContact CE-OH 3.23Å; K247-Y338 WeakPolarHBondContact CE-OH 3.35Å; K247-Y338 PolarHBondContact NZ-OH 3.02Å
248	T	95.4	Very high	96.6	Very high	5 Å²	5	18.1 Å²	18.1	3%	0.031	10%	0.104	C	C	.	.	H	α-helix	trans	-66.9	-41.3	175.2	-55.9	0	0	0	0	113.2	S244 V245 F292 Y305 F306	S244-T248 WeakPolarHBondContact O-CB 3.01Å; S244-T248 PolarHBondContact O-N 2.55Å; S244-T248 PolarHBondContact O-OG1 3.12Å; V245-T248 PolarHBondContact O-N 2.96Å; T248-F292 HydrophobicContact CG2-CE1 4.41Å; T248-F292 HydrophobicContact CG2-CZ 4.35Å; T248-Y305 WeakPolarHBondContact O-CE1 3.35Å; T248-F306 HydrophobicContact CG2-CD1 3.9Å; T248-F306 HydrophobicContact CG2-CE1 3.41Å; T248-F306 VanDerWaalsContact CG2-CE1 3.41Å; T248-F306 HydrophobicContact CG2-CZ 4.14Å
249	F	94.4	Very high	96.6	Very high	1 Å²	1	15.7 Å²	15.7	0%	0.004	10%	0.095	C	C	.	.	S	Bend	trans	-114.8	7.1	-173.8	-66	-75.6	0	0	0	113.9	F46 V245 L251 C291 F292 Q295 Y305 F306	F46-F249 HydrophobicContact CD1-CD1 4.05Å; F46-F249 HydrophobicContact CD1-CE1 4.46Å; F46-F249 HydrophobicContact CD2-CB 4.28Å; F46-F249 HydrophobicContact CD2-CD1 4.25Å; F46-F249 AromaticContact CE1-CD1 3.74Å; F46-F249 HydrophobicContact CE1-CD1 3.74Å; F46-F249 HydrophobicContact CE1-CE1 4.02Å; F46-F249 HydrophobicContact CE2-CB 4.41Å; F46-F249 AromaticContact CE2-CD1 3.95Å; F46-F249 HydrophobicContact CE2-CD1 3.95Å; F46-F249 HydrophobicContact CG-CD1 4.31Å; F46-F249 AromaticContact CZ-CD1 3.7Å; F46-F249 HydrophobicContact CZ-CD1 3.7Å; F46-F249 HydrophobicContact CZ-CE1 4.28Å; V245-F249 HydrophobicContact CG1-CD2 3.98Å; V245-F249 PolarHBondContact O-N 3.47Å; F249-L251 HydrophobicContact CB-CD1 3.67Å; F249-L251 HydrophobicContact CB-CG 4.03Å; F249-L251 WeakPolarHBondContact O-CG 3.12Å; F249-L251 PolarHBondContact O-N 3.06Å; F249-C291 HydrophobicContact CD1-CB 4.41Å; F249-C291 HydrophobicContact CE1-CB 3.89Å; F249-C291 HydrophobicContact CE2-CB 4.5Å; F249-C291 HydrophobicContact CZ-CB 3.94Å; F249-F292 HydrophobicContact CE2-CD1 4.34Å; F249-F292 AromaticContact CE2-CD2 3.91Å; F249-F292 HydrophobicContact CE2-CD2 3.91Å; F249-F292 HydrophobicContact CE2-CE1 4.05Å; F249-F292 AromaticContact CE2-CE2 3.61Å; F249-F292 HydrophobicContact CE2-CE2 3.61Å; F249-F292 HydrophobicContact CE2-CG 4.26Å; F249-F292 AromaticContact CE2-CZ 3.68Å; F249-F292 HydrophobicContact CE2-CZ 3.68Å; F249-F292 AromaticContact CZ-CD1 3.99Å; F249-F292 HydrophobicContact CZ-CD1 3.99Å; F249-F292 HydrophobicContact CZ-CD2 4.09Å; F249-F292 HydrophobicContact CZ-CE1 4.06Å; F249-F292 HydrophobicContact CZ-CE2 4.17Å; F249-F292 AromaticContact CZ-CG 4Å; F249-F292 HydrophobicContact CZ-CG 4Å; F249-F292 HydrophobicContact CZ-CZ 4.15Å; F249-Q295 HydrophobicContact CE1-CG 3.86Å; F249-Y305 HydrophobicContact CD1-CD1 4.38Å; F249-F306 HydrophobicContact CD1-CE1 4.43Å; F249-F306 AromaticContact CE1-CE1 3.72Å; F249-F306 HydrophobicContact CE1-CE1 3.72Å; F249-F306 HydrophobicContact CE1-CZ 4.19Å; F249-F306 AromaticContact CZ-CE1 3.8Å; F249-F306 HydrophobicContact CZ-CE1 3.8Å; F249-F306 AromaticContact CZ-CZ 3.94Å; F249-F306 HydrophobicContact CZ-CZ 3.94Å
250	S	92	Very high	96.6	Very high	5 Å²	5	15.7 Å²	15.7	4%	0.035	10%	0.095	C	C	.	.	S	Bend	trans	60.6	29.2	-174.4	-48.3	0	0	0	0	113.9	T38 G246 Y305 F404	T38-S250 PolarHBondContact OG1-O 2.87Å; G246-S250 CarbonylContact O-C 3.59Å; G246-S250 WeakPolarHBondContact O-CA 3.08Å; S250-Y305 PolarHBondContact OG-OH 2.86Å; S250-F404 WeakPolarHBondContact OG-CE1 3.18Å; S250-F404 WeakPolarHBondContact OG-CZ 3.42Å
251	L	94	Very high	96.6	Very high	9 Å²	9	15.7 Å²	15.7	5%	0.047	10%	0.095	C	C	.	.			trans	-110.3	53.8	-176.2	-66.3	166.9	0	0	0	111.6	P42 F46 T47 V245 G246 F249 G253 W254	P42-L251 HydrophobicContact CB-CD2 3.63Å; P42-L251 HydrophobicContact CB-CG 4.37Å; P42-L251 HydrophobicContact CG-CD2 3.48Å; P42-L251 VanDerWaalsContact CG-CD2 3.48Å; F46-L251 HydrophobicContact CB-CD1 3.9Å; T47-L251 HydrophobicContact CG2-CD2 4.47Å; V245-L251 HydrophobicContact CG1-CB 4.42Å; G246-L251 VanDerWaalsContact CA-C 3.5Å; G246-L251 WeakPolarHBondContact CA-O 3.42Å; G246-L251 PolarHBondContact O-N 3.1Å; F249-L251 HydrophobicContact CB-CD1 3.67Å; F249-L251 HydrophobicContact CB-CG 4.03Å; F249-L251 WeakPolarHBondContact O-CG 3.12Å; F249-L251 PolarHBondContact O-N 3.06Å; L251-G253 PolarHBondContact O-N 2.97Å; L251-W254 HydrophobicContact CB-CB 4.18Å; L251-W254 HydrophobicContact CB-CD2 4.03Å; L251-W254 HydrophobicContact CB-CG 3.83Å; L251-W254 HydrophobicContact CD1-CD2 3.78Å; L251-W254 HydrophobicContact CD1-CE3 3.78Å; L251-W254 HydrophobicContact CD1-CG 4.47Å; L251-W254 HydrophobicContact CD1-CH2 3.87Å; L251-W254 HydrophobicContact CD1-CZ2 3.87Å; L251-W254 HydrophobicContact CD1-CZ3 3.83Å; L251-W254 HydrophobicContact CD2-CD2 4.45Å; L251-W254 HydrophobicContact CD2-CZ2 4.25Å; L251-W254 HydrophobicContact CG-CD2 4.31Å; L251-W254 WeakPolarHBondContact O-CB 3.19Å; L251-W254 PolarHBondContact O-N 3.14Å
252	T	91.4	Very high	96.6	Very high	46 Å²	46	15.8 Å²	15.8	28%	0.282	10%	0.095	S	C	.	.	G	3₁₀ helix	trans	-55.8	-31.8	-170.2	59.7	0	0	0	0	114.1	F37 G246 K247 W254 K255	F37-T252 HydrophobicContact CB-CG2 4.38Å; G246-T252 WeakPolarHBondContact O-CG2 3.35Å; K247-T252 HydrophobicContact CD-CG2 4.39Å; T252-W254 VanDerWaalsContact C-N 3.31Å; T252-W254 PolarHBondContact O-N 3.48Å; T252-K255 PolarHBondContact O-N 3.39Å
253	G	94.2	Very high	96.6	Very high	68 Å²	68	18.7 Å²	18.7	70%	0.701	12%	0.116	S	C	*	.	G	3₁₀ helix	trans	-71.6	-15.7	176.2	0	0	0	0	0	115.3	L251 K255	L251-G253 PolarHBondContact O-N 2.97Å; G253-K255 PolarHBondContact O-N 3.15Å
254	W	96.4	Very high	96.6	Very high	30 Å²	30	23.2 Å²	23.2	11%	0.114	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-73.8	-14.2	177.5	-75.4	25.2	0	0	0	112.8	L50 V245 L251 T252 T256 I284 A287 V288	L50-W254 HydrophobicContact CB-CH2 3.77Å; L50-W254 HydrophobicContact CB-CZ2 3.62Å; L50-W254 HydrophobicContact CD2-CH2 4.42Å; L50-W254 HydrophobicContact CD2-CZ2 3.66Å; L50-W254 HydrophobicContact CG-CZ2 4.23Å; V245-W254 HydrophobicContact CG1-CB 4.49Å; V245-W254 HydrophobicContact CG1-CE3 4.11Å; L251-W254 HydrophobicContact CB-CB 4.18Å; L251-W254 HydrophobicContact CB-CD2 4.03Å; L251-W254 HydrophobicContact CB-CG 3.83Å; L251-W254 HydrophobicContact CD1-CD2 3.78Å; L251-W254 HydrophobicContact CD1-CE3 3.78Å; L251-W254 HydrophobicContact CD1-CG 4.47Å; L251-W254 HydrophobicContact CD1-CH2 3.87Å; L251-W254 HydrophobicContact CD1-CZ2 3.87Å; L251-W254 HydrophobicContact CD1-CZ3 3.83Å; L251-W254 HydrophobicContact CD2-CD2 4.45Å; L251-W254 HydrophobicContact CD2-CZ2 4.25Å; L251-W254 HydrophobicContact CG-CD2 4.31Å; L251-W254 WeakPolarHBondContact O-CB 3.19Å; L251-W254 PolarHBondContact O-N 3.14Å; T252-W254 VanDerWaalsContact C-N 3.31Å; T252-W254 PolarHBondContact O-N 3.48Å; W254-T256 PolarHBondContact O-N 3.4Å; W254-T256 PolarHBondContact O-OG1 3.12Å; W254-I284 HydrophobicContact CB-CG2 4.12Å; W254-I284 HydrophobicContact CD2-CG2 4.1Å; W254-I284 HydrophobicContact CE3-CG2 3.71Å; W254-I284 HydrophobicContact CG-CG2 4.32Å; W254-I284 HydrophobicContact CZ3-CG2 4.46Å; W254-A287 HydrophobicContact CH2-CB 3.87Å; W254-A287 HydrophobicContact CZ3-CB 3.95Å; W254-V288 HydrophobicContact CE3-CG2 3.48Å; W254-V288 VanDerWaalsContact CE3-CG2 3.48Å; W254-V288 HydrophobicContact CZ3-CG2 3.51Å
255	K	97	Very high	96.6	Very high	102 Å²	102	23.3 Å²	23.3	44%	0.443	14%	0.136	S	C	.	.			trans	41.7	47	172.9	-73.3	-64.8	-54.8	-174	0	112.9	Q99 G100 T252 G253	Q99-K255 CarbonylContact C-O 3.35Å; Q99-K255 WeakPolarHBondContact CA-O 3.33Å; Q99-K255 PolarHBondContact OE1-O 3.03Å; G100-K255 VanDerWaalsContact N-C 3.35Å; G100-K255 PolarHBondContact N-O 3.39Å; T252-K255 PolarHBondContact O-N 3.39Å; G253-K255 PolarHBondContact O-N 3.15Å
256	T	98.5	Very high	96.7	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.012	14%	0.136	C	C	.	.			trans	-119.3	137.7	177.5	-60.9	0	0	0	0	108.9	I97 V245 W254 I284	I97-T256 HydrophobicContact CG2-CG2 4.03Å; V245-T256 VanDerWaalsContact CB-O 3.3Å; V245-T256 WeakPolarHBondContact CB-O 3.3Å; V245-T256 HydrophobicContact CG2-CG2 3.68Å; V245-T256 WeakPolarHBondContact CG2-O 3.23Å; V245-T256 PolarHBondContact N-O 3.26Å; W254-T256 PolarHBondContact O-N 3.4Å; W254-T256 PolarHBondContact O-OG1 3.12Å; T256-I284 WeakPolarHBondContact OG1-CG2 3.42Å
257	G	98.6	Very high	96.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	-177.1	-179.8	0	0	0	0	0	110.1	T98 G243	T98-G257 PolarHBondContact N-O 3.27Å; T98-G257 PolarHBondContact O-N 3.39Å; T98-G257 PolarHBondContact OG1-O 3.08Å; G243-G257 VanDerWaalsContact O-CA 3.27Å; G243-G257 WeakPolarHBondContact O-CA 3.41Å
258	W	98.9	Very high	97.1	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	155	-178.6	53.1	86.8	0	0	0	111.3	L77 Y81 L96 I97 I242 G243 V245 F292	L77-W258 HydrophobicContact CD1-CB 4.09Å; L77-W258 HydrophobicContact CD1-CD2 4.06Å; L77-W258 HydrophobicContact CD1-CE3 4.1Å; L77-W258 HydrophobicContact CD1-CG 4.06Å; L77-W258 HydrophobicContact CD2-CD2 4.04Å; L77-W258 HydrophobicContact CD2-CE3 4.17Å; L77-W258 HydrophobicContact CD2-CZ2 4.39Å; L77-W258 HydrophobicContact CD2-CZ3 4.4Å; Y81-W258 HydrophobicContact CE2-CZ2 4.3Å; Y81-W258 AromaticContact CE2-NE1 3.5Å; Y81-W258 AromaticContact CZ-NE1 3.35Å; Y81-W258 VanDerWaalsContact OH-CE2 3.29Å; Y81-W258 WeakPolarHBondContact OH-CZ2 3.27Å; Y81-W258 PolarHBondContact OH-NE1 3.16Å; L96-W258 CarbonylContact O-C 3.5Å; L96-W258 WeakPolarHBondContact O-CA 3.41Å; I97-W258 HydrophobicContact CD1-CB 4.19Å; I242-W258 WeakPolarHBondContact CA-O 3.23Å; G243-W258 PolarHBondContact N-O 2.72Å; G243-W258 VanDerWaalsContact N-O 3.09Å; G243-W258 PolarHBondContact O-N 2.9Å; G243-W258 VanDerWaalsContact O-N 3.15Å; V245-W258 HydrophobicContact CG2-CE3 4.35Å; V245-W258 HydrophobicContact CG2-CZ3 3.65Å; W258-F292 HydrophobicContact CH2-CE2 4.16Å; W258-F292 AromaticContact CH2-CZ 3.61Å; W258-F292 HydrophobicContact CH2-CZ 3.61Å; W258-F292 HydrophobicContact CZ2-CZ 4.25Å; W258-F292 AromaticContact CZ3-CE2 3.98Å; W258-F292 HydrophobicContact CZ3-CE2 3.98Å; W258-F292 AromaticContact CZ3-CZ 3.92Å; W258-F292 HydrophobicContact CZ3-CZ 3.92Å
259	A	98.9	Very high	97.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	136.7	161.8	0	0	0	0	0	108.5	L96 A104 V240 T241 M266 L269	L96-A259 PolarHBondContact N-O 3.33Å; L96-A259 PolarHBondContact O-N 3.02Å; A104-A259 HydrophobicContact CB-CB 4.31Å; V240-A259 HydrophobicContact CG1-CB 4.01Å; T241-A259 CarbonylContact O-C 3.5Å; T241-A259 WeakPolarHBondContact O-CA 3.39Å; A259-M266 HydrophobicContact CB-CE 4.36Å; A259-M266 VanDerWaalsContact O-CE 3.25Å; A259-M266 WeakPolarHBondContact O-CE 3.21Å; A259-L269 HydrophobicContact CB-CD2 3.52Å
260	I	98.9	Very high	97.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	120.8	174.7	-63.5	174.2	0	0	0	108.1	Y81 L85 V89 E94 V95 W236 T241	Y81-I260 HydrophobicContact CD1-CD1 3.74Å; Y81-I260 HydrophobicContact CD2-CD1 3.24Å; Y81-I260 HydrophobicContact CE1-CD1 4.12Å; Y81-I260 HydrophobicContact CE2-CD1 3.64Å; Y81-I260 HydrophobicContact CG-CD1 3.28Å; L85-I260 HydrophobicContact CD1-CG2 4.44Å; V89-I260 HydrophobicContact CG1-CG2 4.01Å; V89-I260 HydrophobicContact CG2-CG2 4.31Å; E94-I260 VanDerWaalsContact O-CA 3.28Å; E94-I260 WeakPolarHBondContact O-CA 3.5Å; V95-I260 HydrophobicContact CG1-CG1 4.42Å; V95-I260 HydrophobicContact CG2-CG1 4.3Å; W236-I260 HydrophobicContact CH2-CG2 3.92Å; W236-I260 HydrophobicContact CZ3-CG2 3.95Å; T241-I260 PolarHBondContact N-O 3.5Å; T241-I260 PolarHBondContact O-N 3.24Å
261	C	98.8	Very high	97.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.185	C	C	.	.			trans	-162.5	159.5	-179.3	67.3	0	0	0	0	110.3	E94 T239 V240 L265 M266	E94-C261 VanDerWaalsContact CA-O 3.26Å; E94-C261 WeakPolarHBondContact CA-O 3.36Å; E94-C261 VanDerWaalsContact CB-O 3.23Å; E94-C261 WeakPolarHBondContact CB-O 3.19Å; E94-C261 PolarHBondContact O-N 3.43Å; T239-C261 WeakPolarHBondContact O-CB 3.46Å; V240-C261 HydrophobicContact CB-CB 4.29Å; V240-C261 HydrophobicContact CG1-CB 4.43Å; V240-C261 HydrophobicContact CG2-CB 3.9Å; C261-L265 HydrophobicContact CB-CB 4.23Å; C261-L265 HydrophobicContact CB-CD1 4.45Å; C261-M266 WeakPolarHBondContact SG-CA 3.39Å; C261-M266 WeakPolarHBondContact SG-CE 3.34Å; C261-M266 PolarHBondContact SG-N 3.37Å; C261-M266 VanDerWaalsContact SG-N 3.39Å
262	P	98.7	Very high	97.9	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.013	19%	0.194	C	C	.	.			trans	-54.2	149.8	175.3	25.9	-40.6	0	0	0	112	W236 H264 L265 M266	W236-P262 HydrophobicContact CZ2-CB 4.37Å; W236-P262 WeakPolarHBondContact O-CD 3.39Å; W236-P262 WeakPolarHBondContact O-CG 3.29Å; P262-H264 PolarHBondContact O-N 2.71Å; P262-H264 VanDerWaalsContact O-N 3.1Å; P262-L265 HydrophobicContact CG-CB 4.29Å; P262-L265 HydrophobicContact CG-CD1 3.71Å; P262-L265 HydrophobicContact CG-CG 3.87Å; P262-L265 PolarHBondContact O-N 3.44Å; P262-M266 PolarHBondContact O-N 3.22Å
263	S	98.6	Very high	98.2	Very high	62 Å²	62	32 Å²	32	43%	0.434	18%	0.18	S	C	.	.	H	α-helix	trans	-53.7	-36.5	-173.5	57.1	0	0	0	0	114.4	E94 L265 M266 I267	E94-S263 PolarHBondContact OE1-N 2.74Å; S263-L265 VanDerWaalsContact C-N 3.28Å; S263-L265 PolarHBondContact O-N 3.09Å; S263-M266 PolarHBondContact O-N 2.84Å; S263-I267 PolarHBondContact O-N 3.34Å; S263-I267 VanDerWaalsContact O-N 3.08Å
264	H	98.6	Very high	98.4	Very high	94 Å²	94	33.3 Å²	33.3	44%	0.435	17%	0.168	S	C	.	.	H	α-helix	trans	-68.8	-23.6	179.3	75.2	-91.7	0	0	0	113.5	D237 P262 I267 H268	D237-H264 PolarHBondContact O-CE1 2.78Å; D237-H264 VanDerWaalsContact O-CE1 3.27Å; D237-H264 PolarHBondContact O-NE2 3.15Å; P262-H264 PolarHBondContact O-N 2.71Å; P262-H264 VanDerWaalsContact O-N 3.1Å; H264-I267 WeakPolarHBondContact O-CG2 3.24Å; H264-H268 PolarHBondContact O-CD2 3.45Å; H264-H268 PolarHBondContact O-NE2 3.07Å
265	L	98.8	Very high	98.5	Very high	16 Å²	16	38.2 Å²	38.2	8%	0.084	20%	0.196	C	C	.	.	H	α-helix	trans	-87.1	-41.1	169.3	-61.3	-177.6	0	0	0	110.7	F112 L209 V240 C261 P262 S263 I267 H268	F112-L265 HydrophobicContact CE1-CD2 3.89Å; F112-L265 HydrophobicContact CZ-CB 3.98Å; F112-L265 HydrophobicContact CZ-CD2 3.88Å; F112-L265 HydrophobicContact CZ-CG 4.47Å; L209-L265 HydrophobicContact CD1-CD1 3.65Å; L209-L265 HydrophobicContact CD1-CD2 4.24Å; V240-L265 HydrophobicContact CG2-CD1 4.48Å; C261-L265 HydrophobicContact CB-CB 4.23Å; C261-L265 HydrophobicContact CB-CD1 4.45Å; P262-L265 HydrophobicContact CG-CB 4.29Å; P262-L265 HydrophobicContact CG-CD1 3.71Å; P262-L265 HydrophobicContact CG-CG 3.87Å; P262-L265 PolarHBondContact O-N 3.44Å; S263-L265 VanDerWaalsContact C-N 3.28Å; S263-L265 PolarHBondContact O-N 3.09Å; L265-I267 PolarHBondContact O-N 2.91Å; L265-H268 PolarHBondContact O-N 3.45Å; L265-H268 VanDerWaalsContact O-N 3.11Å
266	M	98.8	Very high	98.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.2	-32.8	-174.3	-173.5	54.2	76.9	0	0	112.8	N93 E94 L96 A259 C261 P262 S263 H268 L269 R270	N93-M266 VanDerWaalsContact O-CB 3.24Å; N93-M266 WeakPolarHBondContact O-CB 3.25Å; N93-M266 WeakPolarHBondContact O-CG 3.45Å; E94-M266 VanDerWaalsContact O-CE 3.25Å; E94-M266 WeakPolarHBondContact O-CE 3.25Å; L96-M266 HydrophobicContact CB-CE 3.96Å; L96-M266 HydrophobicContact CB-SD 3.45Å; L96-M266 WeakPolarHBondContact CB-SD 3.31Å; L96-M266 HydrophobicContact CD2-SD 4.25Å; L96-M266 HydrophobicContact CG-SD 4.47Å; A259-M266 HydrophobicContact CB-CE 4.36Å; A259-M266 VanDerWaalsContact O-CE 3.25Å; A259-M266 WeakPolarHBondContact O-CE 3.21Å; C261-M266 WeakPolarHBondContact SG-CA 3.39Å; C261-M266 WeakPolarHBondContact SG-CE 3.34Å; C261-M266 PolarHBondContact SG-N 3.37Å; C261-M266 VanDerWaalsContact SG-N 3.39Å; P262-M266 PolarHBondContact O-N 3.22Å; S263-M266 PolarHBondContact O-N 2.84Å; M266-H268 PolarHBondContact O-N 2.92Å; M266-L269 PolarHBondContact O-N 2.57Å; M266-L269 HydrophobicContact SD-CB 4.16Å; M266-R270 HydrophobicContact CG-CG 4.22Å; M266-R270 WeakPolarHBondContact O-CG 3.38Å; M266-R270 PolarHBondContact O-N 3.46Å; M266-R270 HydrophobicContact SD-CG 4.4Å
267	I	98.7	Very high	98.4	Very high	108 Å²	108	39.1 Å²	39.1	55%	0.554	21%	0.212	S	C	*	.	H	α-helix	trans	-56.1	-34.4	177.8	-165.4	169.3	0	0	0	112.6	S263 H264 L265 G271	S263-I267 PolarHBondContact O-N 3.34Å; S263-I267 VanDerWaalsContact O-N 3.08Å; H264-I267 WeakPolarHBondContact O-CG2 3.24Å; L265-I267 PolarHBondContact O-N 2.91Å; I267-G271 PolarHBondContact O-N 3.09Å
268	H	98.7	Very high	98.4	Very high	96 Å²	96	46.7 Å²	46.7	44%	0.444	24%	0.242	S	C	.	.	H	α-helix	trans	-75.7	-42	180	-55.6	-64	0	0	0	111.7	A111 F112 H264 L265 M266 R270 G271 M272	A111-H268 HydrophobicContact CB-CB 3.89Å; F112-H268 HydrophobicContact CE1-CB 4.29Å; F112-H268 AromaticContact CE1-CD2 3.74Å; F112-H268 HydrophobicContact CZ-CB 4.23Å; H264-H268 PolarHBondContact O-CD2 3.45Å; H264-H268 PolarHBondContact O-NE2 3.07Å; L265-H268 PolarHBondContact O-N 3.45Å; L265-H268 VanDerWaalsContact O-N 3.11Å; M266-H268 PolarHBondContact O-N 2.92Å; H268-R270 VanDerWaalsContact C-N 3.28Å; H268-R270 PolarHBondContact O-N 3.47Å; H268-G271 WeakPolarHBondContact O-CA 3.42Å; H268-G271 PolarHBondContact O-N 3.01Å; H268-G271 VanDerWaalsContact O-N 3.14Å; H268-M272 PolarHBondContact O-N 3.21Å; H268-M272 VanDerWaalsContact O-N 3.09Å
269	L	98.8	Very high	98.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-38.4	172.6	-83.3	74	0	0	0	111.7	L96 A111 F112 V240 A259 M266 G271 M272 H273	L96-L269 HydrophobicContact CD2-CB 3.79Å; A111-L269 HydrophobicContact CB-CD1 4.24Å; F112-L269 HydrophobicContact CD2-CD1 4.48Å; F112-L269 HydrophobicContact CE2-CD1 3.48Å; F112-L269 VanDerWaalsContact CE2-CD1 3.48Å; F112-L269 HydrophobicContact CZ-CD1 3.99Å; V240-L269 HydrophobicContact CG1-CD2 3.96Å; V240-L269 HydrophobicContact CG2-CD1 4.43Å; A259-L269 HydrophobicContact CB-CD2 3.52Å; M266-L269 PolarHBondContact O-N 2.57Å; M266-L269 HydrophobicContact SD-CB 4.16Å; L269-G271 VanDerWaalsContact C-N 3.35Å; L269-M272 WeakPolarHBondContact O-CB 3.18Å; L269-M272 PolarHBondContact O-N 3.39Å; L269-H273 PolarHBondContact O-N 3.44Å
270	R	98.5	Very high	98.2	Very high	24 Å²	24	47.7 Å²	47.7	9%	0.091	25%	0.249	C	C	.	.	H	α-helix	trans	-65.3	-38.3	174.3	-73.5	175.2	179.9	-170.2	-1.6	112.5	F68 L92 N93 V95 L96 M266 H268 M272 H273 Q274	F68-R270 HydrophobicContact CD1-CB 4.1Å; F68-R270 HydrophobicContact CD1-CG 3.78Å; F68-R270 HydrophobicContact CD2-CG 4.18Å; F68-R270 HydrophobicContact CE1-CB 3.68Å; F68-R270 HydrophobicContact CE1-CG 3.88Å; F68-R270 HydrophobicContact CE2-CB 4.36Å; F68-R270 HydrophobicContact CE2-CG 4.26Å; F68-R270 HydrophobicContact CG-CG 3.94Å; F68-R270 HydrophobicContact CZ-CB 3.83Å; F68-R270 HydrophobicContact CZ-CG 4.13Å; L92-R270 PolarHBondContact O-NH1 2.96Å; L92-R270 PolarHBondContact O-NH2 3.45Å; N93-R270 VanDerWaalsContact C-NH2 3.29Å; N93-R270 PolarHBondContact OD1-NH1 3Å; V95-R270 PolarHBondContact O-NH2 3.05Å; L96-R270 HydrophobicContact CD1-CG 4.42Å; M266-R270 HydrophobicContact CG-CG 4.22Å; M266-R270 WeakPolarHBondContact O-CG 3.38Å; M266-R270 PolarHBondContact O-N 3.46Å; M266-R270 HydrophobicContact SD-CG 4.4Å; H268-R270 VanDerWaalsContact C-N 3.28Å; H268-R270 PolarHBondContact O-N 3.47Å; R270-M272 VanDerWaalsContact C-N 3.28Å; R270-M272 PolarHBondContact O-N 3.32Å; R270-H273 PolarHBondContact O-N 3.41Å; R270-Q274 WeakPolarHBondContact O-CG 3.5Å; R270-Q274 PolarHBondContact O-N 3.43Å
271	G	98.4	Very high	98.2	Very high	23 Å²	23	51.5 Å²	51.5	24%	0.237	27%	0.269	C	S	.	.	H	α-helix	trans	-56.9	-40.9	171.8	0	0	0	0	0	112.6	I267 H268 L269 Q274 N275	I267-G271 PolarHBondContact O-N 3.09Å; H268-G271 WeakPolarHBondContact O-CA 3.42Å; H268-G271 PolarHBondContact O-N 3.01Å; H268-G271 VanDerWaalsContact O-N 3.14Å; L269-G271 VanDerWaalsContact C-N 3.35Å; G271-Q274 WeakPolarHBondContact O-CG 3.37Å; G271-N275 PolarHBondContact O-ND2 3.05Å
272	M	98.1	Very high	98.2	Very high	45 Å²	45	52.1 Å²	52.1	22%	0.222	27%	0.273	C	S	.	.	H	α-helix	trans	-68.1	-47.2	171.7	-68.8	-55.3	-55.9	0	0	112.1	F106 Y107 F110 A111 H268 L269 R270 Q274 N275 C276	F106-M272 HydrophobicContact CE1-CE 4.47Å; Y107-M272 HydrophobicContact CD1-CB 3.52Å; Y107-M272 HydrophobicContact CD1-CG 4.41Å; Y107-M272 HydrophobicContact CE1-CB 4.04Å; Y107-M272 HydrophobicContact CG-CB 3.8Å; F110-M272 HydrophobicContact CB-CE 3.52Å; F110-M272 HydrophobicContact CB-CG 4.36Å; F110-M272 HydrophobicContact CB-SD 3.88Å; F110-M272 HydrophobicContact CD1-CE 4.17Å; F110-M272 HydrophobicContact CG-CE 4.06Å; A111-M272 HydrophobicContact CB-CG 4.17Å; H268-M272 PolarHBondContact O-N 3.21Å; H268-M272 VanDerWaalsContact O-N 3.09Å; L269-M272 WeakPolarHBondContact O-CB 3.18Å; L269-M272 PolarHBondContact O-N 3.39Å; R270-M272 VanDerWaalsContact C-N 3.28Å; R270-M272 PolarHBondContact O-N 3.32Å; M272-Q274 PolarHBondContact O-N 2.88Å; M272-N275 PolarHBondContact O-N 3.27Å; M272-C276 VanDerWaalsContact O-CB 3.28Å; M272-C276 WeakPolarHBondContact O-CB 3.47Å; M272-C276 PolarHBondContact O-N 2.98Å; M272-C276 VanDerWaalsContact O-N 3.13Å
273	H	98.5	Very high	98.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.4	-48.6	-177	-170.6	102.3	0	0	0	112.8	G67 L96 I97 Y107 L269 R270 N275 C276 V277 Y278	G67-H273 PolarHBondContact O-NE2 2.64Å; G67-H273 VanDerWaalsContact O-NE2 3.1Å; L96-H273 HydrophobicContact CD1-CB 4.14Å; L96-H273 HydrophobicContact CD2-CB 4.15Å; I97-H273 PolarHBondContact O-CE1 3.25Å; I97-H273 PolarHBondContact O-ND1 3.09Å; Y107-H273 HydrophobicContact CD2-CB 4.3Å; Y107-H273 HydrophobicContact CE2-CB 3.66Å; Y107-H273 AromaticContact CE2-CG 3.91Å; Y107-H273 AromaticContact CE2-ND1 3.49Å; Y107-H273 WeakPolarHBondContact CE2-ND1 3.32Å; L269-H273 PolarHBondContact O-N 3.44Å; R270-H273 PolarHBondContact O-N 3.41Å; H273-N275 PolarHBondContact O-N 2.75Å; H273-C276 PolarHBondContact O-N 2.91Å; H273-V277 PolarHBondContact O-N 2.8Å; H273-Y278 PolarHBondContact CD2-O 2.71Å; H273-Y278 VanDerWaalsContact CD2-O 3.29Å; H273-Y278 VanDerWaalsContact NE2-C 3.33Å; H273-Y278 PolarHBondContact NE2-O 2.94Å; H273-Y278 WeakPolarHBondContact O-CA 3.37Å; H273-Y278 PolarHBondContact O-N 3Å
274	Q	98	Very high	98.1	Very high	95 Å²	95	51.2 Å²	51.2	44%	0.444	26%	0.264	S	S	.	.	H	α-helix	trans	-64.3	-25.6	-177.9	73.5	-174.7	-1.2	0	0	113	F68 R270 G271 M272 Y278	F68-Q274 HydrophobicContact CE1-CB 4.21Å; R270-Q274 WeakPolarHBondContact O-CG 3.5Å; R270-Q274 PolarHBondContact O-N 3.43Å; G271-Q274 WeakPolarHBondContact O-CG 3.37Å; M272-Q274 PolarHBondContact O-N 2.88Å; Q274-Y278 WeakPolarHBondContact O-CD2 3.36Å
275	N	97.5	Very high	98.1	Very high	132 Å²	132	46.7 Å²	46.7	71%	0.706	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.8	4.4	-179.5	-70.5	-69	0	0	0	113.4	G271 M272 H273	G271-N275 PolarHBondContact O-ND2 3.05Å; M272-N275 PolarHBondContact O-N 3.27Å; H273-N275 PolarHBondContact O-N 2.75Å
276	C	97.2	Very high	98.1	Very high	72 Å²	72	46 Å²	46	49%	0.486	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-73.3	-179.6	-177.4	0	0	0	0	111.4	Y107 M272 H273	Y107-C276 HydrophobicContact CE1-CB 3.85Å; Y107-C276 WeakPolarHBondContact OH-CB 3.42Å; M272-C276 VanDerWaalsContact O-CB 3.28Å; M272-C276 WeakPolarHBondContact O-CB 3.47Å; M272-C276 PolarHBondContact O-N 2.98Å; M272-C276 VanDerWaalsContact O-N 3.13Å; H273-C276 PolarHBondContact O-N 2.91Å
277	V	97.2	Very high	98.1	Very high	51 Å²	51	46 Å²	46	31%	0.309	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-14.8	-178.9	-58.5	0	0	0	0	113.7	Y107 H273 T279	Y107-V277 WeakPolarHBondContact OH-CG2 3.37Å; H273-V277 PolarHBondContact O-N 2.8Å; V277-T279 PolarHBondContact O-N 2.77Å
278	Y	97.3	Very high	98.1	Very high	159 Å²	159	40.9 Å²	40.9	62%	0.624	21%	0.214	S	C	*	.	S	Bend	trans	63.7	-46.1	-178.4	-164.5	-90	0	0	0	115.8	G67 H273 Q274	G67-Y278 CarbonylContact C-O 3.54Å; G67-Y278 WeakPolarHBondContact CA-O 3.47Å; H273-Y278 PolarHBondContact CD2-O 2.71Å; H273-Y278 VanDerWaalsContact CD2-O 3.29Å; H273-Y278 VanDerWaalsContact NE2-C 3.33Å; H273-Y278 PolarHBondContact NE2-O 2.94Å; H273-Y278 WeakPolarHBondContact O-CA 3.37Å; H273-Y278 PolarHBondContact O-N 3Å; Q274-Y278 WeakPolarHBondContact O-CD2 3.36Å
279	T	97.1	Very high	98.1	Very high	17 Å²	17	36.4 Å²	36.4	10%	0.104	19%	0.194	C	C	.	.	S	Bend	trans	-151.1	156.1	177.8	-168.8	0	0	0	0	111.5	Y64 T65 V277	Y64-T279 HydrophobicContact CD1-CG2 3.55Å; Y64-T279 HydrophobicContact CE1-CG2 3.98Å; Y64-T279 HydrophobicContact CG-CG2 4.5Å; T65-T279 PolarHBondContact O-OG1 2.95Å; V277-T279 PolarHBondContact O-N 2.77Å
280	C	97.8	Very high	98.1	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.034	21%	0.21	C	C	.	.			trans	-95.7	170.3	173.8	-70.5	0	0	0	0	111.9	I97 T98 T282 Q285	I97-C280 HydrophobicContact CG2-CB 4.24Å; T98-C280 VanDerWaalsContact C-SG 3.59Å; C280-T282 PolarHBondContact O-N 3.48Å; C280-Q285 VanDerWaalsContact C-NE2 3.26Å; C280-Q285 HydrophobicContact CB-CG 4.44Å; C280-Q285 PolarHBondContact O-NE2 2.93Å; C280-Q285 VanDerWaalsContact O-NE2 3.09Å
281	N	97.7	Very high	98	Very high	80 Å²	80	38.4 Å²	38.4	43%	0.428	21%	0.206	S	C	.	.			trans	-61.8	121.4	-179.6	-176.6	-62	0	0	0	111.7	A283 I284 Q285	N281-A283 PolarHBondContact OD1-N 3.03Å; N281-I284 HydrophobicContact CB-CB 4.26Å; N281-I284 HydrophobicContact CB-CD1 4.13Å; N281-I284 HydrophobicContact CB-CG1 4.34Å; N281-I284 PolarHBondContact OD1-N 3.26Å; N281-Q285 WeakPolarHBondContact O-CB 3.37Å; N281-Q285 VanDerWaalsContact O-CG 3.22Å; N281-Q285 WeakPolarHBondContact O-CG 3.39Å; N281-Q285 PolarHBondContact O-N 2.89Å; N281-Q285 VanDerWaalsContact O-N 3.16Å; N281-Q285 PolarHBondContact O-NE2 2.93Å
282	T	98.5	Very high	98	Very high	13 Å²	13	37.4 Å²	37.4	8%	0.08	20%	0.195	C	C	.	.	H	α-helix	trans	-65.8	-47	-176	-56.2	0	0	0	0	112.9	Q63 T65 Y70 C280 I284 Q285 A286	Q63-T282 VanDerWaalsContact O-CB 3.3Å; Q63-T282 WeakPolarHBondContact O-CB 3.37Å; Q63-T282 PolarHBondContact O-OG1 3.45Å; T65-T282 HydrophobicContact CG2-CG2 4.35Å; T65-T282 PolarHBondContact N-OG1 2.81Å; Y70-T282 HydrophobicContact CD2-CG2 4.45Å; C280-T282 PolarHBondContact O-N 3.48Å; T282-I284 PolarHBondContact O-N 3.16Å; T282-Q285 PolarHBondContact O-N 2.79Å; T282-A286 WeakPolarHBondContact O-CB 3.46Å; T282-A286 PolarHBondContact O-N 3.47Å
283	A	98.1	Very high	98	Very high	13 Å²	13	38.1 Å²	38.1	11%	0.107	20%	0.198	C	C	.	.	H	α-helix	trans	-63.4	-43.6	-176.5	0	0	0	0	0	112	L50 V53 F61 N281 A286 A287	L50-A283 HydrophobicContact CD1-CB 4.46Å; V53-A283 HydrophobicContact CG1-CB 3.9Å; F61-A283 PolarHBondContact O-N 2.92Å; N281-A283 PolarHBondContact OD1-N 3.03Å; A283-A286 PolarHBondContact O-N 2.58Å; A283-A287 PolarHBondContact O-N 2.94Å
284	I	98.2	Very high	98	Very high	32 Å²	32	41 Å²	41	16%	0.164	21%	0.213	C	C	.	.	H	α-helix	trans	-62.7	-46.9	175.6	-65.9	175.5	0	0	0	110.1	L50 W254 T256 N281 T282 A286 A287 V288	L50-I284 HydrophobicContact CD1-CG1 4.23Å; W254-I284 HydrophobicContact CB-CG2 4.12Å; W254-I284 HydrophobicContact CD2-CG2 4.1Å; W254-I284 HydrophobicContact CE3-CG2 3.71Å; W254-I284 HydrophobicContact CG-CG2 4.32Å; W254-I284 HydrophobicContact CZ3-CG2 4.46Å; T256-I284 WeakPolarHBondContact OG1-CG2 3.42Å; N281-I284 HydrophobicContact CB-CB 4.26Å; N281-I284 HydrophobicContact CB-CD1 4.13Å; N281-I284 HydrophobicContact CB-CG1 4.34Å; N281-I284 PolarHBondContact OD1-N 3.26Å; T282-I284 PolarHBondContact O-N 3.16Å; I284-A286 VanDerWaalsContact C-N 3.31Å; I284-A286 PolarHBondContact O-N 3.22Å; I284-A287 PolarHBondContact O-N 3.19Å; I284-V288 HydrophobicContact CG2-CG2 4.17Å; I284-V288 VanDerWaalsContact O-CG2 3.22Å; I284-V288 WeakPolarHBondContact O-CG2 3.4Å; I284-V288 PolarHBondContact O-N 2.91Å
285	Q	98.7	Very high	98	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.9	-40	179.3	-73.8	176.5	88.4	0	0	112.8	Y70 L73 I97 C280 N281 T282 V288 A289	Y70-Q285 HydrophobicContact CD1-CB 4.48Å; Y70-Q285 HydrophobicContact CG-CB 4.29Å; L73-Q285 HydrophobicContact CD2-CB 3.78Å; L73-Q285 HydrophobicContact CD2-CG 3.79Å; I97-Q285 HydrophobicContact CG2-CG 4.06Å; C280-Q285 VanDerWaalsContact C-NE2 3.26Å; C280-Q285 HydrophobicContact CB-CG 4.44Å; C280-Q285 PolarHBondContact O-NE2 2.93Å; C280-Q285 VanDerWaalsContact O-NE2 3.09Å; N281-Q285 WeakPolarHBondContact O-CB 3.37Å; N281-Q285 VanDerWaalsContact O-CG 3.22Å; N281-Q285 WeakPolarHBondContact O-CG 3.39Å; N281-Q285 PolarHBondContact O-N 2.89Å; N281-Q285 VanDerWaalsContact O-N 3.16Å; N281-Q285 PolarHBondContact O-NE2 2.93Å; T282-Q285 PolarHBondContact O-N 2.79Å; Q285-V288 PolarHBondContact O-N 2.88Å; Q285-A289 WeakPolarHBondContact O-CB 3.35Å; Q285-A289 PolarHBondContact O-N 3.41Å
286	A	98.6	Very high	97.9	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-65.1	-42.6	176.3	0	0	0	0	0	112	V53 F61 Y70 T282 A283 I284 V288 A289 N290	V53-A286 HydrophobicContact CG1-CB 3.96Å; V53-A286 HydrophobicContact CG2-CB 4.1Å; F61-A286 HydrophobicContact CD1-CB 3.8Å; F61-A286 HydrophobicContact CE1-CB 3.65Å; Y70-A286 HydrophobicContact CD1-CB 4.19Å; Y70-A286 HydrophobicContact CE1-CB 3.69Å; T282-A286 WeakPolarHBondContact O-CB 3.46Å; T282-A286 PolarHBondContact O-N 3.47Å; A283-A286 PolarHBondContact O-N 2.58Å; I284-A286 VanDerWaalsContact C-N 3.31Å; I284-A286 PolarHBondContact O-N 3.22Å; A286-V288 PolarHBondContact O-N 2.84Å; A286-A289 WeakPolarHBondContact O-CB 3.29Å; A286-A289 PolarHBondContact O-N 3.1Å; A286-N290 PolarHBondContact O-N 3.2Å; A286-N290 VanDerWaalsContact O-N 3.15Å
287	A	98.6	Very high	97.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.4	-43.5	175	0	0	0	0	0	111.9	E49 L50 V53 W254 A283 I284 A289 N290 C291	E49-A287 HydrophobicContact CB-CB 4.19Å; L50-A287 HydrophobicContact CB-CB 3.96Å; L50-A287 HydrophobicContact CD1-CB 4.15Å; V53-A287 HydrophobicContact CG2-CB 4.35Å; W254-A287 HydrophobicContact CH2-CB 3.87Å; W254-A287 HydrophobicContact CZ3-CB 3.95Å; A283-A287 PolarHBondContact O-N 2.94Å; I284-A287 PolarHBondContact O-N 3.19Å; A287-A289 VanDerWaalsContact C-N 3.34Å; A287-A289 PolarHBondContact O-N 2.89Å; A287-N290 PolarHBondContact O-N 2.95Å; A287-C291 PolarHBondContact O-N 3.36Å; A287-C291 PolarHBondContact O-SG 3.42Å
288	V	98.5	Very high	97.9	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-62.1	-41.2	176.1	174.3	0	0	0	0	111.2	L73 V245 W254 I284 Q285 A286 N290 C291 F292	L73-V288 HydrophobicContact CD1-CB 4.25Å; L73-V288 HydrophobicContact CD1-CG1 3.61Å; L73-V288 HydrophobicContact CD2-CB 4.47Å; L73-V288 HydrophobicContact CD2-CG1 4.32Å; V245-V288 HydrophobicContact CB-CG2 4.47Å; V245-V288 HydrophobicContact CG1-CG1 4.42Å; V245-V288 HydrophobicContact CG1-CG2 3.71Å; V245-V288 HydrophobicContact CG2-CB 4.42Å; V245-V288 HydrophobicContact CG2-CG1 3.57Å; V245-V288 HydrophobicContact CG2-CG2 3.89Å; W254-V288 HydrophobicContact CE3-CG2 3.48Å; W254-V288 VanDerWaalsContact CE3-CG2 3.48Å; W254-V288 HydrophobicContact CZ3-CG2 3.51Å; I284-V288 HydrophobicContact CG2-CG2 4.17Å; I284-V288 VanDerWaalsContact O-CG2 3.22Å; I284-V288 WeakPolarHBondContact O-CG2 3.4Å; I284-V288 PolarHBondContact O-N 2.91Å; Q285-V288 PolarHBondContact O-N 2.88Å; A286-V288 PolarHBondContact O-N 2.84Å; V288-N290 VanDerWaalsContact C-N 3.34Å; V288-N290 PolarHBondContact O-N 2.54Å; V288-C291 WeakPolarHBondContact O-CB 3.35Å; V288-C291 PolarHBondContact O-N 2.8Å; V288-F292 HydrophobicContact CG1-CD2 3.73Å; V288-F292 HydrophobicContact CG1-CE2 3.73Å; V288-F292 WeakPolarHBondContact O-CD2 3.25Å; V288-F292 PolarHBondContact O-N 2.94Å
289	A	98.6	Very high	97.8	Very high	2 Å²	2	33.4 Å²	33.4	2%	0.017	17%	0.166	C	C	.	.	H	α-helix	trans	-58.1	-47.7	176.6	0	0	0	0	0	111	Y70 P72 L73 Q285 A286 A287 C291 F292 E293	Y70-A289 HydrophobicContact CD1-CB 4.36Å; Y70-A289 HydrophobicContact CE1-CB 4.38Å; P72-A289 HydrophobicContact CB-CB 4.14Å; L73-A289 HydrophobicContact CB-CB 4Å; L73-A289 HydrophobicContact CD1-CB 4.33Å; Q285-A289 WeakPolarHBondContact O-CB 3.35Å; Q285-A289 PolarHBondContact O-N 3.41Å; A286-A289 WeakPolarHBondContact O-CB 3.29Å; A286-A289 PolarHBondContact O-N 3.1Å; A287-A289 VanDerWaalsContact C-N 3.34Å; A287-A289 PolarHBondContact O-N 2.89Å; A289-C291 VanDerWaalsContact C-N 3.34Å; A289-C291 PolarHBondContact O-N 3.2Å; A289-F292 PolarHBondContact O-N 3.46Å; A289-E293 WeakPolarHBondContact O-CG 3.08Å; A289-E293 PolarHBondContact O-N 2.93Å
290	N	98.4	Very high	97.7	Very high	65 Å²	65	37.1 Å²	37.1	35%	0.348	19%	0.191	S	C	.	.	H	α-helix	trans	-62.8	-40.1	176.1	-67.5	-9.7	0	0	0	112.4	E49 A286 A287 V288 F292 E293 N294	E49-N290 HydrophobicContact CB-CB 4.43Å; E49-N290 HydrophobicContact CG-CB 4.03Å; E49-N290 VanDerWaalsContact OE2-CB 3.23Å; E49-N290 WeakPolarHBondContact OE2-CB 3.41Å; E49-N290 PolarHBondContact OE2-ND2 3.38Å; A286-N290 PolarHBondContact O-N 3.2Å; A286-N290 VanDerWaalsContact O-N 3.15Å; A287-N290 PolarHBondContact O-N 2.95Å; V288-N290 VanDerWaalsContact C-N 3.34Å; V288-N290 PolarHBondContact O-N 2.54Å; N290-F292 PolarHBondContact O-N 3.12Å; N290-E293 PolarHBondContact O-N 3.29Å; N290-N294 WeakPolarHBondContact O-CB 3.29Å; N290-N294 VanDerWaalsContact O-CG 3.25Å; N290-N294 PolarHBondContact O-N 3.45Å; N290-N294 PolarHBondContact O-ND2 3.09Å
291	C	98.1	Very high	97.6	Very high	1 Å²	1	40 Å²	40	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-58.9	-47.7	176.1	-67.3	0	0	0	0	110.9	F46 F249 A287 V288 A289 N294 Q295	F46-C291 HydrophobicContact CD1-CB 4.15Å; F249-C291 HydrophobicContact CD1-CB 4.41Å; F249-C291 HydrophobicContact CE1-CB 3.89Å; F249-C291 HydrophobicContact CE2-CB 4.5Å; F249-C291 HydrophobicContact CZ-CB 3.94Å; A287-C291 PolarHBondContact O-N 3.36Å; A287-C291 PolarHBondContact O-SG 3.42Å; V288-C291 WeakPolarHBondContact O-CB 3.35Å; V288-C291 PolarHBondContact O-N 2.8Å; A289-C291 VanDerWaalsContact C-N 3.34Å; A289-C291 PolarHBondContact O-N 3.2Å; C291-N294 PolarHBondContact O-N 2.83Å; C291-Q295 WeakPolarHBondContact O-CG 3.28Å; C291-Q295 PolarHBondContact O-N 2.94Å
292	F	98.2	Very high	97.3	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-60.6	-50.2	174.7	-88.3	-69.1	0	0	0	112	L73 V76 L77 F80 T248 F249 W258 V288 A289 N290 N294 Q295 L296 F306	L73-F292 HydrophobicContact CD1-CD2 4.07Å; L73-F292 HydrophobicContact CD1-CE2 4.41Å; V76-F292 HydrophobicContact CB-CB 4.46Å; V76-F292 HydrophobicContact CG1-CB 3.77Å; V76-F292 HydrophobicContact CG1-CD2 4.5Å; V76-F292 HydrophobicContact CG1-CG 4.35Å; V76-F292 HydrophobicContact CG2-CB 3.73Å; L77-F292 HydrophobicContact CD2-CD2 4.21Å; L77-F292 HydrophobicContact CD2-CE1 4.16Å; L77-F292 HydrophobicContact CD2-CE2 3.65Å; L77-F292 HydrophobicContact CD2-CZ 3.63Å; F80-F292 HydrophobicContact CD1-CE1 4.44Å; T248-F292 HydrophobicContact CG2-CE1 4.41Å; T248-F292 HydrophobicContact CG2-CZ 4.35Å; F249-F292 HydrophobicContact CE2-CD1 4.34Å; F249-F292 AromaticContact CE2-CD2 3.91Å; F249-F292 HydrophobicContact CE2-CD2 3.91Å; F249-F292 HydrophobicContact CE2-CE1 4.05Å; F249-F292 AromaticContact CE2-CE2 3.61Å; F249-F292 HydrophobicContact CE2-CE2 3.61Å; F249-F292 HydrophobicContact CE2-CG 4.26Å; F249-F292 AromaticContact CE2-CZ 3.68Å; F249-F292 HydrophobicContact CE2-CZ 3.68Å; F249-F292 AromaticContact CZ-CD1 3.99Å; F249-F292 HydrophobicContact CZ-CD1 3.99Å; F249-F292 HydrophobicContact CZ-CD2 4.09Å; F249-F292 HydrophobicContact CZ-CE1 4.06Å; F249-F292 HydrophobicContact CZ-CE2 4.17Å; F249-F292 AromaticContact CZ-CG 4Å; F249-F292 HydrophobicContact CZ-CG 4Å; F249-F292 HydrophobicContact CZ-CZ 4.15Å; W258-F292 HydrophobicContact CH2-CE2 4.16Å; W258-F292 AromaticContact CH2-CZ 3.61Å; W258-F292 HydrophobicContact CH2-CZ 3.61Å; W258-F292 HydrophobicContact CZ2-CZ 4.25Å; W258-F292 AromaticContact CZ3-CE2 3.98Å; W258-F292 HydrophobicContact CZ3-CE2 3.98Å; W258-F292 AromaticContact CZ3-CZ 3.92Å; W258-F292 HydrophobicContact CZ3-CZ 3.92Å; V288-F292 HydrophobicContact CG1-CD2 3.73Å; V288-F292 HydrophobicContact CG1-CE2 3.73Å; V288-F292 WeakPolarHBondContact O-CD2 3.25Å; V288-F292 PolarHBondContact O-N 2.94Å; A289-F292 PolarHBondContact O-N 3.46Å; N290-F292 PolarHBondContact O-N 3.12Å; F292-N294 PolarHBondContact O-N 3.21Å; F292-Q295 PolarHBondContact O-N 2.91Å; F292-Q295 VanDerWaalsContact O-N 3.12Å; F292-L296 WeakPolarHBondContact O-CB 3.43Å; F292-L296 WeakPolarHBondContact O-CG 3.48Å; F292-L296 PolarHBondContact O-N 2.68Å; F292-F306 HydrophobicContact CD1-CE2 4.48Å; F292-F306 AromaticContact CD1-CZ 3.86Å; F292-F306 HydrophobicContact CD1-CZ 3.86Å; F292-F306 AromaticContact CE1-CZ 3.84Å; F292-F306 HydrophobicContact CE1-CZ 3.84Å
293	E	98.1	Very high	97	Very high	60 Å²	60	46.4 Å²	46.4	28%	0.28	24%	0.242	S	C	.	.	H	α-helix	trans	-55.7	-39.4	179.1	-72.5	-66.9	176.8	0	0	112.2	V76 R79 A289 N290 K297	V76-E293 HydrophobicContact CB-CG 4.48Å; V76-E293 HydrophobicContact CG2-CG 4.05Å; R79-E293 IonicContact CZ-OE1 3.73Å; R79-E293 IonicContact NH1-OE1 3.76Å; R79-E293 IonicContact NH2-OE1 2.68Å; R79-E293 PolarHBondContact NH2-OE1 3.4Å; R79-E293 IonicContact NH2-OE2 3.32Å; R79-E293 PolarHBondContact NH2-OE2 3.05Å; A289-E293 WeakPolarHBondContact O-CG 3.08Å; A289-E293 PolarHBondContact O-N 2.93Å; N290-E293 PolarHBondContact O-N 3.29Å; E293-K297 WeakPolarHBondContact O-CD 3.19Å; E293-K297 WeakPolarHBondContact O-CE 3.43Å; E293-K297 VanDerWaalsContact O-CG 3.3Å; E293-K297 WeakPolarHBondContact O-CG 3.02Å; E293-K297 PolarHBondContact O-N 3.4Å
294	N	97.3	Very high	96.9	Very high	61 Å²	61	45.8 Å²	45.8	33%	0.326	24%	0.236	S	C	.	.	H	α-helix	trans	-70.8	-41.1	178.2	-69.5	-23	0	0	0	112.4	N290 C291 F292 K297	N290-N294 WeakPolarHBondContact O-CB 3.29Å; N290-N294 VanDerWaalsContact O-CG 3.25Å; N290-N294 PolarHBondContact O-N 3.45Å; N290-N294 PolarHBondContact O-ND2 3.09Å; C291-N294 PolarHBondContact O-N 2.83Å; F292-N294 PolarHBondContact O-N 3.21Å; N294-K297 PolarHBondContact OD1-NZ 3.4Å; N294-K297 VanDerWaalsContact OD1-NZ 3.12Å
295	Q	97.4	Very high	96.7	Very high	20 Å²	20	44.7 Å²	44.7	9%	0.093	23%	0.23	C	C	.	.	H	α-helix	trans	-71.7	-32.4	177.8	-66.9	-47.7	-51.8	0	0	113.1	F46 F249 C291 F292 K297 L298 Y299 C304 Y305 F306	F46-Q295 HydrophobicContact CE1-CG 4.28Å; F249-Q295 HydrophobicContact CE1-CG 3.86Å; C291-Q295 WeakPolarHBondContact O-CG 3.28Å; C291-Q295 PolarHBondContact O-N 2.94Å; F292-Q295 PolarHBondContact O-N 2.91Å; F292-Q295 VanDerWaalsContact O-N 3.12Å; Q295-K297 VanDerWaalsContact C-N 3.32Å; Q295-K297 PolarHBondContact O-N 2.9Å; Q295-L298 WeakPolarHBondContact O-CB 3.32Å; Q295-L298 PolarHBondContact O-N 3.1Å; Q295-L298 VanDerWaalsContact O-N 3.09Å; Q295-Y299 PolarHBondContact O-N 3.38Å; Q295-C304 PolarHBondContact O-SG 2.85Å; Q295-C304 VanDerWaalsContact O-SG 3.38Å; Q295-Y305 VanDerWaalsContact OE1-CB 3.25Å; Q295-F306 HydrophobicContact CB-CE1 4.19Å; Q295-F306 HydrophobicContact CB-CE2 3.98Å; Q295-F306 HydrophobicContact CB-CZ 3.7Å; Q295-F306 HydrophobicContact CG-CE1 4.24Å; Q295-F306 HydrophobicContact CG-CZ 4.21Å
296	L	96.6	Very high	96.5	Very high	34 Å²	34	44.8 Å²	44.8	18%	0.178	23%	0.23	C	C	.	.	H	α-helix	trans	-71.4	-26.3	178.4	-69.6	177.9	0	0	0	113.3	V76 F80 F292 L298 Y299 F306	V76-L296 HydrophobicContact CG2-CD1 3.37Å; F80-L296 HydrophobicContact CB-CD1 3.98Å; F80-L296 HydrophobicContact CB-CD2 4.13Å; F80-L296 HydrophobicContact CD1-CD2 3.73Å; F80-L296 HydrophobicContact CD2-CD2 3.33Å; F80-L296 HydrophobicContact CE1-CD2 3.76Å; F80-L296 HydrophobicContact CE2-CD2 3.4Å; F80-L296 VanDerWaalsContact CE2-CD2 3.4Å; F80-L296 HydrophobicContact CG-CD1 4.23Å; F80-L296 HydrophobicContact CG-CD2 3.48Å; F80-L296 VanDerWaalsContact CG-CD2 3.48Å; F80-L296 HydrophobicContact CG-CG 4.47Å; F80-L296 HydrophobicContact CZ-CD2 3.59Å; F292-L296 WeakPolarHBondContact O-CB 3.43Å; F292-L296 WeakPolarHBondContact O-CG 3.48Å; F292-L296 PolarHBondContact O-N 2.68Å; L296-L298 PolarHBondContact O-N 3.39Å; L296-Y299 PolarHBondContact O-N 3.39Å; L296-F306 HydrophobicContact CD2-CE2 4.43Å
297	K	97.2	Very high	96.3	Very high	151 Å²	151	47.2 Å²	47.2	66%	0.657	24%	0.243	S	C	*	.	H	α-helix	trans	-64.7	-27.1	169	-68.6	163.1	-165.2	165	0	112.4	E293 N294 Q295	E293-K297 WeakPolarHBondContact O-CD 3.19Å; E293-K297 WeakPolarHBondContact O-CE 3.43Å; E293-K297 VanDerWaalsContact O-CG 3.3Å; E293-K297 WeakPolarHBondContact O-CG 3.02Å; E293-K297 PolarHBondContact O-N 3.4Å; N294-K297 PolarHBondContact OD1-NZ 3.4Å; N294-K297 VanDerWaalsContact OD1-NZ 3.12Å; Q295-K297 VanDerWaalsContact C-N 3.32Å; Q295-K297 PolarHBondContact O-N 2.9Å
298	L	96.9	Very high	96	Very high	64 Å²	64	50.6 Å²	50.6	34%	0.335	26%	0.259	S	S	.	.	H	α-helix	trans	-91.7	-21.6	179	-59.1	175.8	0	0	0	111.9	Q295 L296 T301 C304	Q295-L298 WeakPolarHBondContact O-CB 3.32Å; Q295-L298 PolarHBondContact O-N 3.1Å; Q295-L298 VanDerWaalsContact O-N 3.09Å; L296-L298 PolarHBondContact O-N 3.39Å; L298-T301 WeakPolarHBondContact O-CA 3.25Å; L298-T301 VanDerWaalsContact O-CB 3.29Å; L298-T301 WeakPolarHBondContact O-CB 3.47Å; L298-T301 VanDerWaalsContact O-CG2 3.29Å; L298-T301 WeakPolarHBondContact O-CG2 3.35Å; L298-T301 PolarHBondContact O-N 3Å; L298-T301 PolarHBondContact O-OG1 3.47Å; L298-C304 HydrophobicContact CB-CB 3.93Å
299	Y	95.6	Very high	95.7	Very high	81 Å²	81	51 Å²	51	32%	0.318	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	135.7	-177.5	-173.1	-95.5	0	0	0	111.9	F80 W218 Q295 L296 F306 L307	F80-Y299 HydrophobicContact CE2-CD1 4.15Å; F80-Y299 HydrophobicContact CE2-CE1 4.14Å; F80-Y299 HydrophobicContact CE2-CG 4.4Å; W218-Y299 HydrophobicContact CZ3-CE2 4.07Å; Q295-Y299 PolarHBondContact O-N 3.38Å; L296-Y299 PolarHBondContact O-N 3.39Å; Y299-F306 HydrophobicContact CD2-CD2 4.46Å; Y299-L307 HydrophobicContact CD2-CD1 4.47Å; Y299-L307 HydrophobicContact CE2-CD1 4.41Å; Y299-L307 HydrophobicContact CE2-CD2 4.49Å
300	P	94.3	Very high	95.4	Very high	95 Å²	95	51.5 Å²	51.5	62%	0.617	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	cis	-102.3	41.3	3.7	40.4	-35.4	0	0	0	113.8	L307	P300-L307 HydrophobicContact CB-CD1 4.26Å; P300-L307 VanDerWaalsContact O-CD1 3.32Å; P300-L307 WeakPolarHBondContact O-CD1 3.4Å
301	T	95.3	Very high	95	Very high	66 Å²	66	54.1 Å²	54.1	41%	0.405	27%	0.269	S	S	.	.	S	Bend	trans	-77.2	157.7	174.3	82.5	0	0	0	0	111.5	L298 D303 C304	L298-T301 WeakPolarHBondContact O-CA 3.25Å; L298-T301 VanDerWaalsContact O-CB 3.29Å; L298-T301 WeakPolarHBondContact O-CB 3.47Å; L298-T301 VanDerWaalsContact O-CG2 3.29Å; L298-T301 WeakPolarHBondContact O-CG2 3.35Å; L298-T301 PolarHBondContact O-N 3Å; L298-T301 PolarHBondContact O-OG1 3.47Å; T301-D303 PolarHBondContact O-N 2.98Å; T301-D303 VanDerWaalsContact O-N 3.15Å; T301-D303 PolarHBondContact OG1-N 2.94Å; T301-C304 WeakPolarHBondContact O-CB 3.3Å; T301-C304 PolarHBondContact O-N 2.8Å
302	L	91.3	Very high	94.6	Very high	107 Å²	107	57.2 Å²	57.2	56%	0.56	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-16.4	178.2	-66.8	-179.3	0	0	0	113.5	C304 R311	L302-C304 VanDerWaalsContact C-N 3.26Å; L302-R311 PolarHBondContact O-NH2 3.34Å
303	D	92.4	Very high	94.3	Very high	120 Å²	120	57.1 Å²	57.1	64%	0.642	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-14.3	175.5	-56.1	-38.3	0	0	0	112.4	T301 Y305	T301-D303 PolarHBondContact O-N 2.98Å; T301-D303 VanDerWaalsContact O-N 3.15Å; T301-D303 PolarHBondContact OG1-N 2.94Å; D303-Y305 PolarHBondContact O-N 3.44Å
304	C	95.9	Very high	94.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.279	C	S	.	.	S	Bend	trans	-66.4	127.2	171.7	-175.1	0	0	0	0	109.6	Q295 L298 T301 L302 F306 L307 E308	Q295-C304 PolarHBondContact O-SG 2.85Å; Q295-C304 VanDerWaalsContact O-SG 3.38Å; L298-C304 HydrophobicContact CB-CB 3.93Å; T301-C304 WeakPolarHBondContact O-CB 3.3Å; T301-C304 PolarHBondContact O-N 2.8Å; L302-C304 VanDerWaalsContact C-N 3.26Å; C304-F306 PolarHBondContact O-N 3.43Å; C304-F306 VanDerWaalsContact SG-CD2 3.6Å; C304-L307 CarbonylContact O-C 3.58Å; C304-L307 PolarHBondContact O-N 3.45Å; C304-E308 PolarHBondContact O-N 3.32Å
305	Y	94.8	Very high	93.8	Very high	9 Å²	9	56.3 Å²	56.3	4%	0.035	29%	0.285	C	S	.	.	H	α-helix	trans	-53.8	-34.2	-178.7	-172.1	-109.1	0	0	0	112.6	P43 F46 T248 F249 S250 Q295 D303 L307 E308 M309	P43-Y305 HydrophobicContact CG-CD2 4.18Å; P43-Y305 HydrophobicContact CG-CE2 3.47Å; P43-Y305 VanDerWaalsContact CG-CE2 3.47Å; F46-Y305 AromaticContact CE2-CD1 3.83Å; F46-Y305 HydrophobicContact CE2-CD1 3.83Å; F46-Y305 HydrophobicContact CE2-CD2 4.04Å; F46-Y305 AromaticContact CE2-CE1 3.76Å; F46-Y305 HydrophobicContact CE2-CE1 3.76Å; F46-Y305 AromaticContact CE2-CE2 3.97Å; F46-Y305 HydrophobicContact CE2-CE2 3.97Å; F46-Y305 AromaticContact CE2-CG 3.96Å; F46-Y305 HydrophobicContact CE2-CG 3.96Å; F46-Y305 AromaticContact CE2-CZ 3.8Å; F46-Y305 AromaticContact CZ-CD1 3.72Å; F46-Y305 HydrophobicContact CZ-CD1 3.72Å; F46-Y305 AromaticContact CZ-CD2 3.92Å; F46-Y305 HydrophobicContact CZ-CD2 3.92Å; F46-Y305 HydrophobicContact CZ-CE1 4.15Å; F46-Y305 HydrophobicContact CZ-CE2 4.33Å; F46-Y305 AromaticContact CZ-CG 3.58Å; F46-Y305 HydrophobicContact CZ-CG 3.58Å; T248-Y305 WeakPolarHBondContact O-CE1 3.35Å; F249-Y305 HydrophobicContact CD1-CD1 4.38Å; S250-Y305 PolarHBondContact OG-OH 2.86Å; Q295-Y305 VanDerWaalsContact OE1-CB 3.25Å; D303-Y305 PolarHBondContact O-N 3.44Å; Y305-L307 PolarHBondContact O-N 2.97Å; Y305-E308 PolarHBondContact O-N 3.21Å; Y305-M309 HydrophobicContact CD1-CG 3.83Å; Y305-M309 HydrophobicContact CD2-CG 3.9Å; Y305-M309 HydrophobicContact CD2-SD 4.08Å; Y305-M309 HydrophobicContact CE1-CG 3.44Å; Y305-M309 VanDerWaalsContact CE1-CG 3.44Å; Y305-M309 HydrophobicContact CE1-SD 4.02Å; Y305-M309 HydrophobicContact CE2-CG 3.52Å; Y305-M309 HydrophobicContact CE2-SD 3.24Å; Y305-M309 WeakPolarHBondContact CE2-SD 3.22Å; Y305-M309 HydrophobicContact CG-CG 4.05Å; Y305-M309 WeakPolarHBondContact O-CB 3.3Å; Y305-M309 VanDerWaalsContact O-CG 3.26Å; Y305-M309 WeakPolarHBondContact O-CG 3.34Å; Y305-M309 PolarHBondContact O-N 3.12Å; Y305-M309 PolarHBondContact OH-SD 3.01Å
306	F	94.9	Very high	93.5	Very high	1 Å²	1	56.5 Å²	56.5	0%	0.004	29%	0.285	C	S	.	.	H	α-helix	trans	-62	-31.2	177.9	-51.4	-25.2	0	0	0	112.9	F80 W218 T248 F249 F292 Q295 L296 Y299 C304 P310	F80-F306 HydrophobicContact CE1-CD2 4.2Å; F80-F306 AromaticContact CE1-CE2 3.71Å; F80-F306 HydrophobicContact CE1-CE2 3.71Å; F80-F306 HydrophobicContact CZ-CD2 4.06Å; F80-F306 AromaticContact CZ-CE2 3.93Å; F80-F306 HydrophobicContact CZ-CE2 3.93Å; W218-F306 HydrophobicContact CB-CB 4.37Å; W218-F306 HydrophobicContact CD2-CB 3.77Å; W218-F306 HydrophobicContact CD2-CD2 4.3Å; W218-F306 AromaticContact CD2-CG 3.95Å; W218-F306 HydrophobicContact CD2-CG 3.95Å; W218-F306 HydrophobicContact CE3-CB 3.6Å; W218-F306 HydrophobicContact CE3-CD2 4.36Å; W218-F306 HydrophobicContact CE3-CG 4.15Å; W218-F306 HydrophobicContact CG-CB 4.1Å; W218-F306 HydrophobicContact CG-CD1 4.43Å; W218-F306 HydrophobicContact CG-CG 4.29Å; W218-F306 HydrophobicContact CH2-CD2 4.39Å; W218-F306 HydrophobicContact CZ2-CD2 4.34Å; W218-F306 HydrophobicContact CZ3-CB 4.24Å; W218-F306 HydrophobicContact CZ3-CD2 4.38Å; T248-F306 HydrophobicContact CG2-CD1 3.9Å; T248-F306 HydrophobicContact CG2-CE1 3.41Å; T248-F306 VanDerWaalsContact CG2-CE1 3.41Å; T248-F306 HydrophobicContact CG2-CZ 4.14Å; F249-F306 HydrophobicContact CD1-CE1 4.43Å; F249-F306 AromaticContact CE1-CE1 3.72Å; F249-F306 HydrophobicContact CE1-CE1 3.72Å; F249-F306 HydrophobicContact CE1-CZ 4.19Å; F249-F306 AromaticContact CZ-CE1 3.8Å; F249-F306 HydrophobicContact CZ-CE1 3.8Å; F249-F306 AromaticContact CZ-CZ 3.94Å; F249-F306 HydrophobicContact CZ-CZ 3.94Å; F292-F306 HydrophobicContact CD1-CE2 4.48Å; F292-F306 AromaticContact CD1-CZ 3.86Å; F292-F306 HydrophobicContact CD1-CZ 3.86Å; F292-F306 AromaticContact CE1-CZ 3.84Å; F292-F306 HydrophobicContact CE1-CZ 3.84Å; Q295-F306 HydrophobicContact CB-CE1 4.19Å; Q295-F306 HydrophobicContact CB-CE2 3.98Å; Q295-F306 HydrophobicContact CB-CZ 3.7Å; Q295-F306 HydrophobicContact CG-CE1 4.24Å; Q295-F306 HydrophobicContact CG-CZ 4.21Å; L296-F306 HydrophobicContact CD2-CE2 4.43Å; Y299-F306 HydrophobicContact CD2-CD2 4.46Å; C304-F306 PolarHBondContact O-N 3.43Å; C304-F306 VanDerWaalsContact SG-CD2 3.6Å; F306-P310 WeakPolarHBondContact O-CD 3.43Å
307	L	93.6	Very high	93.4	Very high	52 Å²	52	55.6 Å²	55.6	27%	0.272	28%	0.28	S	S	.	.	H	α-helix	trans	-100.7	-19.7	179.4	-57.1	-176	0	0	0	112.5	Y299 P300 C304 Y305 R311	Y299-L307 HydrophobicContact CD2-CD1 4.47Å; Y299-L307 HydrophobicContact CE2-CD1 4.41Å; Y299-L307 HydrophobicContact CE2-CD2 4.49Å; P300-L307 HydrophobicContact CB-CD1 4.26Å; P300-L307 VanDerWaalsContact O-CD1 3.32Å; P300-L307 WeakPolarHBondContact O-CD1 3.4Å; C304-L307 CarbonylContact O-C 3.58Å; C304-L307 PolarHBondContact O-N 3.45Å; Y305-L307 PolarHBondContact O-N 2.97Å; L307-R311 PolarHBondContact O-NE 3.39Å; L307-R311 VanDerWaalsContact O-NE 3.16Å
308	E	92.9	Very high	93.3	Very high	71 Å²	71	51.1 Å²	51.1	33%	0.332	26%	0.263	S	S	.	.	H	α-helix	trans	-71.2	-43.5	171.5	-172.1	-174.1	-160.2	0	0	111.6	C304 Y305 R311 I312	C304-E308 PolarHBondContact O-N 3.32Å; Y305-E308 PolarHBondContact O-N 3.21Å; E308-R311 WeakPolarHBondContact O-CA 3.23Å; E308-R311 WeakPolarHBondContact O-CB 3.46Å; E308-R311 PolarHBondContact O-N 2.72Å; E308-I312 HydrophobicContact CG-CD1 3.77Å; E308-I312 HydrophobicContact CG-CG1 4.28Å; E308-I312 PolarHBondContact O-N 3.11Å; E308-I312 VanDerWaalsContact O-N 3.1Å
309	M	91.1	Very high	93	Very high	9 Å²	9	50.8 Å²	50.8	4%	0.044	26%	0.261	C	S	.	.	H	α-helix	trans	-59.9	-46.1	-170.5	-80.3	-51.2	-47	0	0	115.2	L219 Y305 R311 I312 L313 F404	L219-M309 HydrophobicContact CD2-CB 4.1Å; Y305-M309 HydrophobicContact CD1-CG 3.83Å; Y305-M309 HydrophobicContact CD2-CG 3.9Å; Y305-M309 HydrophobicContact CD2-SD 4.08Å; Y305-M309 HydrophobicContact CE1-CG 3.44Å; Y305-M309 VanDerWaalsContact CE1-CG 3.44Å; Y305-M309 HydrophobicContact CE1-SD 4.02Å; Y305-M309 HydrophobicContact CE2-CG 3.52Å; Y305-M309 HydrophobicContact CE2-SD 3.24Å; Y305-M309 WeakPolarHBondContact CE2-SD 3.22Å; Y305-M309 HydrophobicContact CG-CG 4.05Å; Y305-M309 WeakPolarHBondContact O-CB 3.3Å; Y305-M309 VanDerWaalsContact O-CG 3.26Å; Y305-M309 WeakPolarHBondContact O-CG 3.34Å; Y305-M309 PolarHBondContact O-N 3.12Å; Y305-M309 PolarHBondContact OH-SD 3.01Å; M309-R311 PolarHBondContact O-N 2.65Å; M309-I312 PolarHBondContact O-N 3.02Å; M309-I312 VanDerWaalsContact O-N 3.17Å; M309-I312 HydrophobicContact SD-CD1 4.26Å; M309-L313 HydrophobicContact CE-CD1 3.8Å; M309-L313 HydrophobicContact CE-CG 3.95Å; M309-L313 WeakPolarHBondContact O-CB 3.49Å; M309-L313 WeakPolarHBondContact O-CG 3.37Å; M309-L313 PolarHBondContact O-N 3.33Å; M309-F404 HydrophobicContact CE-CE1 4.35Å; M309-F404 HydrophobicContact CE-CE2 3.44Å; M309-F404 VanDerWaalsContact CE-CE2 3.44Å; M309-F404 HydrophobicContact CE-CZ 3.24Å
310	P	92.7	Very high	92.8	Very high	14 Å²	14	47.7 Å²	47.7	9%	0.091	25%	0.25	C	C	.	.	H	α-helix	trans	-56.7	-37.6	172.9	-27.6	36.4	0	0	0	113.3	W218 I220 Y221 F306 I312 L313 Q314	W218-P310 WeakPolarHBondContact O-CG 3.48Å; I220-P310 VanDerWaalsContact O-CB 3.28Å; I220-P310 WeakPolarHBondContact O-CB 3.42Å; Y221-P310 HydrophobicContact CD1-CB 4.42Å; Y221-P310 HydrophobicContact CE1-CB 4.5Å; F306-P310 WeakPolarHBondContact O-CD 3.43Å; P310-I312 VanDerWaalsContact C-N 3.32Å; P310-I312 PolarHBondContact O-N 2.86Å; P310-L313 PolarHBondContact O-N 2.92Å; P310-Q314 VanDerWaalsContact O-CB 3.3Å; P310-Q314 WeakPolarHBondContact O-CB 3.15Å; P310-Q314 PolarHBondContact O-N 3.19Å
311	R	91.1	Very high	92.8	Very high	119 Å²	119	43.2 Å²	43.2	45%	0.449	22%	0.221	S	C	.	.	H	α-helix	trans	-69.4	-30.5	179.8	-60.2	-176.4	-65.2	122.2	-1.4	112.5	L302 L307 E308 M309 P315	L302-R311 PolarHBondContact O-NH2 3.34Å; L307-R311 PolarHBondContact O-NE 3.39Å; L307-R311 VanDerWaalsContact O-NE 3.16Å; E308-R311 WeakPolarHBondContact O-CA 3.23Å; E308-R311 WeakPolarHBondContact O-CB 3.46Å; E308-R311 PolarHBondContact O-N 2.72Å; M309-R311 PolarHBondContact O-N 2.65Å; R311-P315 WeakPolarHBondContact O-CD 3.31Å
312	I	88.9	Confident	92.7	Very high	66 Å²	66	44.5 Å²	44.5	34%	0.338	22%	0.222	S	C	.	.	H	α-helix	trans	-74.5	-35.5	172.5	-67.5	173.5	0	0	0	111	E308 M309 P310	E308-I312 HydrophobicContact CG-CD1 3.77Å; E308-I312 HydrophobicContact CG-CG1 4.28Å; E308-I312 PolarHBondContact O-N 3.11Å; E308-I312 VanDerWaalsContact O-N 3.1Å; M309-I312 PolarHBondContact O-N 3.02Å; M309-I312 VanDerWaalsContact O-N 3.17Å; M309-I312 HydrophobicContact SD-CD1 4.26Å; P310-I312 VanDerWaalsContact C-N 3.32Å; P310-I312 PolarHBondContact O-N 2.86Å
313	L	91.7	Very high	92.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-87.6	-30.2	-172.8	-74.2	174	0	0	0	114.5	L219 Y221 M309 P310 K316 R317 F403 F404	L219-L313 HydrophobicContact CD1-CD1 4.32Å; L219-L313 HydrophobicContact CD2-CD1 3.92Å; Y221-L313 HydrophobicContact CE1-CB 3.98Å; M309-L313 HydrophobicContact CE-CD1 3.8Å; M309-L313 HydrophobicContact CE-CG 3.95Å; M309-L313 WeakPolarHBondContact O-CB 3.49Å; M309-L313 WeakPolarHBondContact O-CG 3.37Å; M309-L313 PolarHBondContact O-N 3.33Å; P310-L313 PolarHBondContact O-N 2.92Å; L313-K316 HydrophobicContact CD2-CD 4.31Å; L313-K316 WeakPolarHBondContact O-CB 3.29Å; L313-K316 PolarHBondContact O-N 3.47Å; L313-R317 PolarHBondContact O-N 2.78Å; L313-F403 HydrophobicContact CB-CE2 4.17Å; L313-F403 HydrophobicContact CD2-CD2 4.38Å; L313-F404 HydrophobicContact CD1-CD2 4.25Å; L313-F404 HydrophobicContact CD1-CE1 4.49Å; L313-F404 HydrophobicContact CD1-CE2 4.08Å; L313-F404 HydrophobicContact CD1-CG 4.43Å; L313-F404 HydrophobicContact CD1-CZ 4.23Å; L313-F404 HydrophobicContact CD2-CB 4.25Å; L313-F404 HydrophobicContact CD2-CD2 3.3Å; L313-F404 HydrophobicContact CD2-CE2 3.61Å; L313-F404 HydrophobicContact CD2-CG 3.9Å; L313-F404 HydrophobicContact CG-CD2 4.28Å; L313-F404 HydrophobicContact CG-CE2 4.17Å
314	Q	94	Very high	92.6	Very high	33 Å²	33	34.1 Å²	34.1	15%	0.154	17%	0.167	C	C	.	.	H	α-helix	trans	-59.5	-46	-179.2	-166.2	-179.6	-54.6	0	0	112.5	Y221 E222 P310 K316 R317 D318	Y221-Q314 HydrophobicContact CD1-CB 3.68Å; Y221-Q314 HydrophobicContact CD1-CG 3.94Å; Y221-Q314 HydrophobicContact CE1-CB 4.06Å; Y221-Q314 HydrophobicContact CG-CG 4.42Å; E222-Q314 PolarHBondContact OE1-NE2 2.98Å; E222-Q314 PolarHBondContact OE2-NE2 2.83Å; P310-Q314 VanDerWaalsContact O-CB 3.3Å; P310-Q314 WeakPolarHBondContact O-CB 3.15Å; P310-Q314 PolarHBondContact O-N 3.19Å; Q314-K316 PolarHBondContact O-N 3.35Å; Q314-R317 VanDerWaalsContact O-CB 3.29Å; Q314-R317 WeakPolarHBondContact O-CB 3.34Å; Q314-R317 PolarHBondContact O-N 3.07Å; Q314-R317 VanDerWaalsContact O-N 3.14Å; Q314-D318 PolarHBondContact O-N 3.34Å
315	P	91.8	Very high	92.3	Very high	70 Å²	70	36.9 Å²	36.9	46%	0.455	18%	0.182	S	C	.	.	H	α-helix	trans	-62	-31.5	175	-23.4	35.2	0	0	0	113.1	R311 D318 L319	R311-P315 WeakPolarHBondContact O-CD 3.31Å; P315-D318 PolarHBondContact O-N 2.99Å; P315-L319 VanDerWaalsContact O-CB 3.29Å; P315-L319 WeakPolarHBondContact O-CB 3.31Å; P315-L319 PolarHBondContact O-N 3.07Å
316	K	91.1	Very high	92.1	Very high	24 Å²	24	39.4 Å²	39.4	10%	0.104	19%	0.194	C	C	.	.	H	α-helix	trans	-72.4	-38.1	176.3	-56.8	-172.6	-165.5	-174	0	111.8	L313 Q314 D318 L320 F403 K405 M407	L313-K316 HydrophobicContact CD2-CD 4.31Å; L313-K316 WeakPolarHBondContact O-CB 3.29Å; L313-K316 PolarHBondContact O-N 3.47Å; Q314-K316 PolarHBondContact O-N 3.35Å; K316-D318 VanDerWaalsContact C-N 3.34Å; K316-L320 WeakPolarHBondContact O-CB 3.38Å; K316-L320 PolarHBondContact O-N 3.23Å; K316-F403 HydrophobicContact CB-CD2 4.39Å; K316-K405 PolarHBondContact NZ-O 2.85Å; K316-M407 HydrophobicContact CD-CG 4.08Å; K316-M407 HydrophobicContact CG-CG 4.09Å; K316-M407 HydrophobicContact CG-SD 4.09Å
317	R	94.3	Very high	91.6	Very high	16 Å²	16	39.5 Å²	39.5	6%	0.06	20%	0.196	C	C	.	.	H	α-helix	trans	-56.8	-51.4	170.5	179.6	-159.4	70.7	177.9	-3.7	109.5	L313 Q314 L320 A321 P334 M340 F403	L313-R317 PolarHBondContact O-N 2.78Å; Q314-R317 VanDerWaalsContact O-CB 3.29Å; Q314-R317 WeakPolarHBondContact O-CB 3.34Å; Q314-R317 PolarHBondContact O-N 3.07Å; Q314-R317 VanDerWaalsContact O-N 3.14Å; R317-L320 PolarHBondContact O-N 3.15Å; R317-A321 PolarHBondContact O-N 3.25Å; R317-P334 WeakPolarHBondContact CD-O 3.21Å; R317-P334 HydrophobicContact CG-CG 3.8Å; R317-P334 PolarHBondContact NH1-O 3.23Å; R317-P334 VanDerWaalsContact NH1-O 3.09Å; R317-M340 HydrophobicContact CG-CE 3.59Å; R317-M340 VanDerWaalsContact O-CE 3.32Å; R317-M340 WeakPolarHBondContact O-CE 3.27Å; R317-F403 HydrophobicContact CB-CD2 4.11Å; R317-F403 HydrophobicContact CB-CE1 4.23Å; R317-F403 HydrophobicContact CB-CE2 3.73Å; R317-F403 HydrophobicContact CB-CG 4.49Å; R317-F403 HydrophobicContact CB-CZ 3.78Å; R317-F403 HydrophobicContact CG-CE1 4.15Å; R317-F403 HydrophobicContact CG-CE2 4.44Å; R317-F403 HydrophobicContact CG-CZ 3.97Å
318	D	94	Very high	91.4	Very high	57 Å²	57	38.2 Å²	38.2	31%	0.305	19%	0.193	S	C	.	.	H	α-helix	trans	-65.3	-43.2	-175.8	-60.7	-19.3	0	0	0	111.3	Q314 P315 K316 L320 A321 E322	Q314-D318 PolarHBondContact O-N 3.34Å; P315-D318 PolarHBondContact O-N 2.99Å; K316-D318 VanDerWaalsContact C-N 3.34Å; D318-L320 PolarHBondContact O-N 3.07Å; D318-A321 WeakPolarHBondContact O-CB 3.14Å; D318-A321 PolarHBondContact O-N 3.22Å; D318-E322 WeakPolarHBondContact O-CG 3.44Å; D318-E322 PolarHBondContact O-N 3.43Å
319	L	91.7	Very high	91.3	Very high	56 Å²	56	35.2 Å²	35.2	29%	0.293	18%	0.178	S	C	.	.	H	α-helix	trans	-59.9	-44.5	173.3	178.1	61.3	0	0	0	112.2	P315 A321 E322 I323	P315-L319 VanDerWaalsContact O-CB 3.29Å; P315-L319 WeakPolarHBondContact O-CB 3.31Å; P315-L319 PolarHBondContact O-N 3.07Å; L319-A321 VanDerWaalsContact C-N 3.33Å; L319-A321 PolarHBondContact O-N 2.68Å; L319-E322 PolarHBondContact O-N 3.08Å; L319-I323 HydrophobicContact CD1-CD1 3.96Å; L319-I323 HydrophobicContact CD1-CG1 4.26Å; L319-I323 HydrophobicContact CG-CD1 3.82Å; L319-I323 WeakPolarHBondContact O-CB 3.22Å; L319-I323 WeakPolarHBondContact O-CD1 3.3Å; L319-I323 WeakPolarHBondContact O-CG1 3.48Å; L319-I323 PolarHBondContact O-N 2.8Å
320	L	91.7	Very high	91.5	Very high	16 Å²	16	37.9 Å²	37.9	8%	0.084	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-42.8	176.8	178.2	63.7	0	0	0	110.9	K316 R317 D318 E322 I323 L324 M340 F401 F403	K316-L320 WeakPolarHBondContact O-CB 3.38Å; K316-L320 PolarHBondContact O-N 3.23Å; R317-L320 PolarHBondContact O-N 3.15Å; D318-L320 PolarHBondContact O-N 3.07Å; L320-E322 VanDerWaalsContact C-N 3.34Å; L320-E322 PolarHBondContact O-N 3.07Å; L320-I323 PolarHBondContact O-N 3.26Å; L320-L324 HydrophobicContact CD1-CD1 4.1Å; L320-L324 HydrophobicContact CD1-CD2 4.42Å; L320-L324 HydrophobicContact CD1-CG 3.98Å; L320-L324 HydrophobicContact CD2-CD1 4.35Å; L320-L324 HydrophobicContact CG-CD1 3.83Å; L320-L324 HydrophobicContact CG-CG 4.17Å; L320-L324 WeakPolarHBondContact O-CB 3.28Å; L320-L324 VanDerWaalsContact O-CG 3.23Å; L320-L324 WeakPolarHBondContact O-CG 3.43Å; L320-L324 PolarHBondContact O-N 3.43Å; L320-M340 HydrophobicContact CD2-CB 4.14Å; L320-M340 HydrophobicContact CD2-SD 4.15Å; L320-M340 HydrophobicContact CG-SD 4.14Å; L320-F401 HydrophobicContact CD2-CB 3.77Å; L320-F401 HydrophobicContact CD2-CG 4.45Å; L320-F403 HydrophobicContact CB-CB 4.37Å; L320-F403 HydrophobicContact CD2-CB 3.77Å; L320-F403 HydrophobicContact CD2-CD1 4.3Å
321	A	93.7	Very high	91.6	Very high	2 Å²	2	37.5 Å²	37.5	2%	0.017	19%	0.188	C	C	.	.	H	α-helix	trans	-59.6	-43.7	177.2	0	0	0	0	0	112.3	R317 D318 L319 L324 L325 P331 I333 M340	R317-A321 PolarHBondContact O-N 3.25Å; D318-A321 WeakPolarHBondContact O-CB 3.14Å; D318-A321 PolarHBondContact O-N 3.22Å; L319-A321 VanDerWaalsContact C-N 3.33Å; L319-A321 PolarHBondContact O-N 2.68Å; A321-L324 PolarHBondContact O-N 2.9Å; A321-L325 WeakPolarHBondContact O-CG 3.44Å; A321-L325 PolarHBondContact O-N 3.41Å; A321-P331 HydrophobicContact CB-CB 4.37Å; A321-P331 HydrophobicContact CB-CG 4.1Å; A321-I333 HydrophobicContact CB-CD1 3.45Å; A321-I333 VanDerWaalsContact CB-CD1 3.45Å; A321-M340 HydrophobicContact CB-CE 3.87Å; A321-M340 HydrophobicContact CB-SD 4.12Å
322	E	93.2	Very high	91.9	Very high	92 Å²	92	31.8 Å²	31.8	43%	0.43	17%	0.167	S	C	.	.	H	α-helix	trans	-60.2	-47.7	176	-71.6	177.5	-176.9	0	0	111.9	D318 L319 L320 L324 L325 E326	D318-E322 WeakPolarHBondContact O-CG 3.44Å; D318-E322 PolarHBondContact O-N 3.43Å; L319-E322 PolarHBondContact O-N 3.08Å; L320-E322 VanDerWaalsContact C-N 3.34Å; L320-E322 PolarHBondContact O-N 3.07Å; E322-L324 VanDerWaalsContact C-N 3.32Å; E322-L324 PolarHBondContact O-N 3.01Å; E322-L325 PolarHBondContact O-N 3.17Å; E322-E326 PolarHBondContact O-N 3.13Å
323	I	89.4	Confident	92.3	Very high	9 Å²	9	30 Å²	30	5%	0.046	16%	0.157	C	C	.	.	H	α-helix	trans	-60.7	-42.5	178.4	-70.3	168.5	0	0	0	111.2	L319 L320 E326 G327 V423 F426 K427 L430	L319-I323 HydrophobicContact CD1-CD1 3.96Å; L319-I323 HydrophobicContact CD1-CG1 4.26Å; L319-I323 HydrophobicContact CG-CD1 3.82Å; L319-I323 WeakPolarHBondContact O-CB 3.22Å; L319-I323 WeakPolarHBondContact O-CD1 3.3Å; L319-I323 WeakPolarHBondContact O-CG1 3.48Å; L319-I323 PolarHBondContact O-N 2.8Å; L320-I323 PolarHBondContact O-N 3.26Å; I323-E326 PolarHBondContact O-N 3.07Å; I323-G327 PolarHBondContact O-N 2.93Å; I323-G327 VanDerWaalsContact O-N 3.07Å; I323-V423 HydrophobicContact CD1-CG1 3.82Å; I323-F426 HydrophobicContact CB-CE1 4.45Å; I323-F426 HydrophobicContact CG2-CD1 3.14Å; I323-F426 HydrophobicContact CG2-CE1 3.01Å; I323-F426 HydrophobicContact CG2-CG 4.3Å; I323-F426 HydrophobicContact CG2-CZ 4.08Å; I323-K427 HydrophobicContact CG1-CG 4.25Å; I323-L430 HydrophobicContact CG2-CD1 4.06Å; I323-L430 VanDerWaalsContact O-CD1 3.25Å; I323-L430 WeakPolarHBondContact O-CD1 3.29Å
324	L	91.4	Very high	92.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.3	-41.7	179.7	-73.6	175.1	0	0	0	111.9	L320 A321 E322 G327 A328 F329 P331 M340 A342 F401	L320-L324 HydrophobicContact CD1-CD1 4.1Å; L320-L324 HydrophobicContact CD1-CD2 4.42Å; L320-L324 HydrophobicContact CD1-CG 3.98Å; L320-L324 HydrophobicContact CD2-CD1 4.35Å; L320-L324 HydrophobicContact CG-CD1 3.83Å; L320-L324 HydrophobicContact CG-CG 4.17Å; L320-L324 WeakPolarHBondContact O-CB 3.28Å; L320-L324 VanDerWaalsContact O-CG 3.23Å; L320-L324 WeakPolarHBondContact O-CG 3.43Å; L320-L324 PolarHBondContact O-N 3.43Å; A321-L324 PolarHBondContact O-N 2.9Å; E322-L324 VanDerWaalsContact C-N 3.32Å; E322-L324 PolarHBondContact O-N 3.01Å; L324-G327 CarbonylContact O-C 3.57Å; L324-G327 WeakPolarHBondContact O-CA 2.96Å; L324-G327 PolarHBondContact O-N 3.39Å; L324-A328 PolarHBondContact O-N 2.97Å; L324-F329 HydrophobicContact CB-CB 4.01Å; L324-F329 HydrophobicContact CD2-CB 4.17Å; L324-F329 HydrophobicContact CD2-CD2 3.97Å; L324-F329 HydrophobicContact CD2-CG 4.05Å; L324-F329 WeakPolarHBondContact O-CB 3.36Å; L324-F329 PolarHBondContact O-N 3.34Å; L324-P331 HydrophobicContact CB-CB 4.37Å; L324-P331 HydrophobicContact CB-CG 4.38Å; L324-P331 HydrophobicContact CD1-CB 4.06Å; L324-M340 HydrophobicContact CD1-CG 4.34Å; L324-M340 HydrophobicContact CD1-SD 3.58Å; L324-M340 VanDerWaalsContact CD1-SD 3.58Å; L324-A342 HydrophobicContact CD1-CB 4.05Å; L324-F401 HydrophobicContact CD1-CD2 4.15Å; L324-F401 HydrophobicContact CD1-CE2 4.27Å; L324-F401 HydrophobicContact CD1-CG 4.48Å; L324-F401 HydrophobicContact CD2-CD1 4.25Å; L324-F401 HydrophobicContact CD2-CD2 4.24Å; L324-F401 HydrophobicContact CD2-CE1 3.7Å; L324-F401 HydrophobicContact CD2-CE2 3.68Å; L324-F401 HydrophobicContact CD2-CZ 3.39Å
325	L	91.4	Very high	92.7	Very high	59 Å²	59	30.2 Å²	30.2	31%	0.309	16%	0.158	S	C	.	.	H	α-helix	trans	-61.5	-44	174.5	-73	168.5	0	0	0	111.9	A321 E322 G327 A328 P331	A321-L325 WeakPolarHBondContact O-CG 3.44Å; A321-L325 PolarHBondContact O-N 3.41Å; E322-L325 PolarHBondContact O-N 3.17Å; L325-G327 PolarHBondContact O-N 2.83Å; L325-A328 PolarHBondContact O-N 3.22Å; L325-P331 HydrophobicContact CD2-CG 4.22Å; L325-P331 HydrophobicContact CG-CG 3.95Å
326	E	88.7	Confident	93	Very high	61 Å²	61	26.9 Å²	26.9	29%	0.285	14%	0.137	S	C	.	.	H	α-helix	trans	-58.9	-29	173.3	-71.5	179.2	-146.2	0	0	111.8	E322 I323 K427 Q431 N434	E322-E326 PolarHBondContact O-N 3.13Å; I323-E326 PolarHBondContact O-N 3.07Å; E326-K427 WeakPolarHBondContact OE1-CE 3.38Å; E326-K427 IonicContact OE1-NZ 2.69Å; E326-K427 PolarHBondContact OE1-NZ 3.01Å; E326-K427 IonicContact OE2-NZ 3.7Å; E326-Q431 PolarHBondContact OE2-NE2 3.47Å; E326-N434 PolarHBondContact O-ND2 2.99Å
327	G	85.9	Confident	93.3	Very high	4 Å²	4	25.8 Å²	25.8	4%	0.041	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	15.4	-179	0	0	0	0	0	116.1	I323 L324 L325 F329 L430	I323-G327 PolarHBondContact O-N 2.93Å; I323-G327 VanDerWaalsContact O-N 3.07Å; L324-G327 CarbonylContact O-C 3.57Å; L324-G327 WeakPolarHBondContact O-CA 2.96Å; L324-G327 PolarHBondContact O-N 3.39Å; L325-G327 PolarHBondContact O-N 2.83Å; G327-F329 WeakPolarHBondContact O-CD2 3.41Å; G327-F329 PolarHBondContact O-N 3.18Å; G327-L430 VanDerWaalsContact CA-CD1 3.46Å
328	A	88.9	Confident	93.3	Very high	25 Å²	25	25.2 Å²	25.2	21%	0.207	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	21.9	-178.1	0	0	0	0	0	114.9	L324 L325 K346 L347	L324-A328 PolarHBondContact O-N 2.97Å; L325-A328 PolarHBondContact O-N 3.22Å; A328-K346 HydrophobicContact CB-CB 4.41Å; A328-K346 HydrophobicContact CB-CD 4.49Å; A328-L347 HydrophobicContact CB-CD2 4.12Å
329	F	91.3	Very high	93.5	Very high	7 Å²	7	22.7 Å²	22.7	3%	0.031	12%	0.117	C	C	.	.			trans	-89	151.7	161.8	-65.6	-94.3	0	0	0	109.8	L324 G327 P331 A342 D343 L347 F364 V399 F401	L324-F329 HydrophobicContact CB-CB 4.01Å; L324-F329 HydrophobicContact CD2-CB 4.17Å; L324-F329 HydrophobicContact CD2-CD2 3.97Å; L324-F329 HydrophobicContact CD2-CG 4.05Å; L324-F329 WeakPolarHBondContact O-CB 3.36Å; L324-F329 PolarHBondContact O-N 3.34Å; G327-F329 WeakPolarHBondContact O-CD2 3.41Å; G327-F329 PolarHBondContact O-N 3.18Å; F329-P331 WeakPolarHBondContact O-CD 3.43Å; F329-A342 HydrophobicContact CB-CB 4.04Å; F329-A342 HydrophobicContact CD1-CB 4.21Å; F329-D343 CarbonylContact C-O 3.39Å; F329-D343 VanDerWaalsContact CA-O 3.29Å; F329-D343 WeakPolarHBondContact CA-O 3.33Å; F329-L347 HydrophobicContact CD1-CD1 4.21Å; F329-L347 HydrophobicContact CD2-CD1 3.9Å; F329-L347 HydrophobicContact CE1-CD1 3.83Å; F329-L347 HydrophobicContact CE2-CD1 3.47Å; F329-L347 VanDerWaalsContact CE2-CD1 3.47Å; F329-L347 HydrophobicContact CG-CD1 4.24Å; F329-L347 HydrophobicContact CZ-CD1 3.44Å; F329-L347 VanDerWaalsContact CZ-CD1 3.44Å; F329-F364 AromaticContact CE1-CE1 3.9Å; F329-F364 HydrophobicContact CE1-CE1 3.9Å; F329-F364 AromaticContact CE1-CZ 3.99Å; F329-F364 HydrophobicContact CE1-CZ 3.99Å; F329-F364 HydrophobicContact CZ-CE1 4.13Å; F329-F364 AromaticContact CZ-CZ 3.96Å; F329-F364 HydrophobicContact CZ-CZ 3.96Å; F329-V399 HydrophobicContact CD1-CG2 4.42Å; F329-V399 HydrophobicContact CE1-CG2 4.02Å; F329-F401 HydrophobicContact CD1-CE2 4.45Å; F329-F401 HydrophobicContact CD1-CZ 4.44Å; F329-F401 HydrophobicContact CE1-CE2 4.46Å; F329-F401 HydrophobicContact CE1-CZ 4.15Å; F329-F401 HydrophobicContact CZ-CZ 4.28Å
330	E	94.3	Very high	93.7	Very high	65 Å²	65	20 Å²	20	30%	0.304	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	101.8	168.7	-60.7	-68.3	160.4	0	0	109.8	M155 A342 D343 K346	M155-E330 HydrophobicContact CE-CB 3.58Å; E330-A342 WeakPolarHBondContact O-CA 3.3Å; E330-D343 HydrophobicContact CB-CB 4.04Å; E330-D343 PolarHBondContact N-O 3.13Å; E330-D343 PolarHBondContact O-N 3.48Å; E330-K346 IonicContact OE1-NZ 2.76Å; E330-K346 PolarHBondContact OE1-NZ 2.68Å
331	P	95.9	Very high	94	Very high	6 Å²	6	19.3 Å²	19.3	4%	0.039	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	139.3	-178	29.8	-34.1	0	0	0	111.9	A321 L324 L325 F329 I333 M340	A321-P331 HydrophobicContact CB-CB 4.37Å; A321-P331 HydrophobicContact CB-CG 4.1Å; L324-P331 HydrophobicContact CB-CB 4.37Å; L324-P331 HydrophobicContact CB-CG 4.38Å; L324-P331 HydrophobicContact CD1-CB 4.06Å; L325-P331 HydrophobicContact CD2-CG 4.22Å; L325-P331 HydrophobicContact CG-CG 3.95Å; F329-P331 WeakPolarHBondContact O-CD 3.43Å; P331-I333 HydrophobicContact CB-CD1 4.28Å; P331-I333 HydrophobicContact CG-CD1 4.26Å; P331-M340 HydrophobicContact CB-CG 4.22Å; P331-M340 HydrophobicContact CB-SD 3.58Å; P331-M340 VanDerWaalsContact CB-SD 3.58Å
332	V	96.8	Very high	94.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	108.2	164.5	-174.9	0	0	0	0	107.9	L147 M155 S156 Y160 P334 V341 F398	L147-V332 HydrophobicContact CD2-CG2 4.3Å; M155-V332 HydrophobicContact CB-CB 4.41Å; M155-V332 HydrophobicContact CB-CG1 4.36Å; M155-V332 HydrophobicContact CB-CG2 4.05Å; M155-V332 HydrophobicContact CE-CG2 4.18Å; M155-V332 HydrophobicContact SD-CG2 4.26Å; S156-V332 WeakPolarHBondContact O-CG1 2.99Å; Y160-V332 HydrophobicContact CD2-CG1 4.45Å; Y160-V332 HydrophobicContact CE2-CG1 3.99Å; V332-P334 VanDerWaalsContact O-CD 3.3Å; V332-P334 WeakPolarHBondContact O-CD 3.41Å; V332-V341 HydrophobicContact CB-CB 4.44Å; V332-V341 PolarHBondContact N-O 2.89Å; V332-F398 HydrophobicContact CG2-CE1 4.41Å
333	I	96.7	Very high	94.2	Very high	28 Å²	28	16.4 Å²	16.4	14%	0.144	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-68.6	116.8	-173.4	-53.8	-55.9	0	0	0	110.3	M155 S156 S157 A321 P331 M340	M155-I333 WeakPolarHBondContact O-CG1 3.13Å; M155-I333 PolarHBondContact O-N 3.01Å; S156-I333 CarbonylContact C-O 3.36Å; S156-I333 WeakPolarHBondContact CA-O 3.28Å; S156-I333 PolarHBondContact OG-O 3.08Å; S157-I333 PolarHBondContact N-O 3.44Å; A321-I333 HydrophobicContact CB-CD1 3.45Å; A321-I333 VanDerWaalsContact CB-CD1 3.45Å; P331-I333 HydrophobicContact CB-CD1 4.28Å; P331-I333 HydrophobicContact CG-CD1 4.26Å; I333-M340 HydrophobicContact CD1-CE 4.34Å
334	P	97.8	Very high	94.4	Very high	1 Å²	1	16 Å²	16	1%	0.006	8%	0.084	C	C	.	.			trans	-77.7	140	-177.4	31.9	-34.8	0	0	0	111.9	Y221 R317 V332 F339 M340 F403	Y221-P334 WeakPolarHBondContact CD2-O 3.37Å; R317-P334 WeakPolarHBondContact CD-O 3.21Å; R317-P334 HydrophobicContact CG-CG 3.8Å; R317-P334 PolarHBondContact NH1-O 3.23Å; R317-P334 VanDerWaalsContact NH1-O 3.09Å; V332-P334 VanDerWaalsContact O-CD 3.3Å; V332-P334 WeakPolarHBondContact O-CD 3.41Å; P334-F339 WeakPolarHBondContact CB-O 3.49Å; P334-F339 VanDerWaalsContact CG-O 3.31Å; P334-F339 WeakPolarHBondContact CG-O 3.31Å; P334-M340 HydrophobicContact CG-CB 4.42Å; P334-M340 HydrophobicContact CG-CE 4.31Å; P334-F403 HydrophobicContact CG-CE1 3.86Å; P334-F403 HydrophobicContact CG-CZ 4.23Å
335	E	97.8	Very high	94.4	Very high	36 Å²	36	18 Å²	18	17%	0.168	10%	0.098	C	C	.	.	S	Bend	trans	-82.7	-20.9	172.9	-73.9	166.5	121.1	0	0	112.7	S157 S158 G188 V190 Y221 S224	S157-E335 WeakPolarHBondContact OG-CB 3.4Å; S157-E335 VanDerWaalsContact OG-CG 3.25Å; S157-E335 WeakPolarHBondContact OG-CG 3.09Å; S157-E335 PolarHBondContact OG-N 2.9Å; S157-E335 PolarHBondContact OG-OE2 3.22Å; S158-E335 WeakPolarHBondContact CA-OE2 3.42Å; S158-E335 WeakPolarHBondContact CB-OE1 3.28Å; S158-E335 PolarHBondContact N-OE2 3.44Å; G188-E335 PolarHBondContact O-N 2.89Å; G188-E335 VanDerWaalsContact O-N 3.12Å; V190-E335 HydrophobicContact CB-CB 4Å; V190-E335 HydrophobicContact CG2-CB 3.67Å; Y221-E335 VanDerWaalsContact CD2-C 3.5Å; Y221-E335 WeakPolarHBondContact CD2-O 3.32Å; Y221-E335 PolarHBondContact N-O 3.31Å; S224-E335 WeakPolarHBondContact OG-CB 3.37Å; S224-E335 WeakPolarHBondContact OG-CG 3.3Å
336	G	97.8	Very high	94.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-160.5	-175.6	176	0	0	0	0	0	114.2	G188 L219	G188-G336 WeakPolarHBondContact CA-O 3.46Å; G188-G336 PolarHBondContact O-N 3.43Å; L219-G336 CarbonylContact O-C 3.42Å; L219-G336 WeakPolarHBondContact O-CA 3.49Å
337	G	96.6	Very high	94.3	Very high	2 Å²	2	18.9 Å²	18.9	2%	0.021	10%	0.1	C	C	.	.	S	Bend	trans	65.1	-160	-172.4	0	0	0	0	0	111.7	L219 Y221	L219-G337 PolarHBondContact O-N 2.81Å; Y221-G337 VanDerWaalsContact CE2-O 3.28Å; Y221-G337 WeakPolarHBondContact CE2-O 3.17Å; Y221-G337 VanDerWaalsContact CZ-O 3.26Å; Y221-G337 PolarHBondContact OH-O 3.5Å
338	Y	95.1	Very high	94.4	Very high	3 Å²	3	22.1 Å²	22.1	1%	0.012	11%	0.112	C	C	.	.	S	Bend	trans	-133.8	23.9	-177.8	53.8	22.1	0	0	0	113.9	G36 Y216 L219 K247 C402 F403 F404	G36-Y338 PolarHBondContact O-OH 3.44Å; Y216-Y338 HydrophobicContact CD1-CE1 4.49Å; Y216-Y338 HydrophobicContact CE1-CD1 4.02Å; Y216-Y338 HydrophobicContact CE1-CD2 4.44Å; Y216-Y338 AromaticContact CE1-CE1 3.42Å; Y216-Y338 HydrophobicContact CE1-CE1 3.42Å; Y216-Y338 VanDerWaalsContact CE1-CE1 3.42Å; Y216-Y338 AromaticContact CE1-CE2 3.98Å; Y216-Y338 HydrophobicContact CE1-CE2 3.98Å; Y216-Y338 AromaticContact CE1-CZ 3.48Å; Y216-Y338 VanDerWaalsContact CE1-CZ 3.48Å; Y216-Y338 AromaticContact CZ-CE1 3.68Å; Y216-Y338 WeakPolarHBondContact OH-CE1 3.32Å; L219-Y338 HydrophobicContact CD1-CD2 3.73Å; L219-Y338 HydrophobicContact CD1-CE2 4.4Å; L219-Y338 HydrophobicContact CD1-CG 4.19Å; K247-Y338 HydrophobicContact CD-CE2 4.37Å; K247-Y338 VanDerWaalsContact CD-OH 3.31Å; K247-Y338 WeakPolarHBondContact CD-OH 3.27Å; K247-Y338 VanDerWaalsContact CE-OH 3.23Å; K247-Y338 WeakPolarHBondContact CE-OH 3.35Å; K247-Y338 PolarHBondContact NZ-OH 3.02Å; Y338-C402 WeakPolarHBondContact O-CA 3.29Å; Y338-F403 VanDerWaalsContact O-CD1 3.28Å; Y338-F403 WeakPolarHBondContact O-CD1 3.49Å; Y338-F403 WeakPolarHBondContact O-CE1 3.25Å; Y338-F403 PolarHBondContact O-N 2.86Å; Y338-F403 VanDerWaalsContact O-N 3.08Å; Y338-F404 HydrophobicContact CD2-CB 3.67Å; Y338-F404 AromaticContact CD2-CD1 3.19Å; Y338-F404 HydrophobicContact CD2-CD1 3.19Å; Y338-F404 HydrophobicContact CD2-CE1 4.03Å; Y338-F404 AromaticContact CD2-CG 3.82Å; Y338-F404 HydrophobicContact CD2-CG 3.82Å; Y338-F404 HydrophobicContact CE2-CB 4.33Å; Y338-F404 AromaticContact CE2-CD1 3.46Å; Y338-F404 HydrophobicContact CE2-CD1 3.46Å; Y338-F404 VanDerWaalsContact CE2-CD1 3.46Å; Y338-F404 HydrophobicContact CE2-CE1 4.19Å; Y338-F404 HydrophobicContact CE2-CG 4.38Å; Y338-F404 HydrophobicContact CG-CB 3.99Å; Y338-F404 HydrophobicContact CG-CD1 4.29Å
339	F	97.1	Very high	94.1	Very high	5 Å²	5	27 Å²	27	2%	0.022	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	146.3	177.8	-60.2	-61.4	0	0	0	110	N185 Y216 P334 R400 F401 C402	N185-F339 HydrophobicContact CB-CD2 4.03Å; N185-F339 HydrophobicContact CB-CE2 3.99Å; N185-F339 VanDerWaalsContact OD1-CD2 3.3Å; N185-F339 WeakPolarHBondContact OD1-CD2 3.47Å; N185-F339 WeakPolarHBondContact OD1-CE2 3.37Å; Y216-F339 WeakPolarHBondContact OH-CE2 3.44Å; P334-F339 WeakPolarHBondContact CB-O 3.49Å; P334-F339 VanDerWaalsContact CG-O 3.31Å; P334-F339 WeakPolarHBondContact CG-O 3.31Å; F339-R400 HydrophobicContact CB-CG 3.97Å; F339-R400 HydrophobicContact CD1-CG 4.32Å; F339-R400 VanDerWaalsContact CE1-CZ 3.46Å; F339-R400 HydrophobicContact CG-CG 4.3Å; F339-F401 CarbonylContact C-O 3.53Å; F339-F401 WeakPolarHBondContact CA-O 3.33Å; F339-C402 HydrophobicContact CD1-CB 3.92Å; F339-C402 HydrophobicContact CE1-CB 3.97Å
340	M	97.1	Very high	93.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.8	173.5	-179	176.4	-69.2	0	0	108	R317 L320 A321 L324 P331 I333 P334 F401 F403	R317-M340 HydrophobicContact CG-CE 3.59Å; R317-M340 VanDerWaalsContact O-CE 3.32Å; R317-M340 WeakPolarHBondContact O-CE 3.27Å; L320-M340 HydrophobicContact CD2-CB 4.14Å; L320-M340 HydrophobicContact CD2-SD 4.15Å; L320-M340 HydrophobicContact CG-SD 4.14Å; A321-M340 HydrophobicContact CB-CE 3.87Å; A321-M340 HydrophobicContact CB-SD 4.12Å; L324-M340 HydrophobicContact CD1-CG 4.34Å; L324-M340 HydrophobicContact CD1-SD 3.58Å; L324-M340 VanDerWaalsContact CD1-SD 3.58Å; P331-M340 HydrophobicContact CB-CG 4.22Å; P331-M340 HydrophobicContact CB-SD 3.58Å; P331-M340 VanDerWaalsContact CB-SD 3.58Å; I333-M340 HydrophobicContact CD1-CE 4.34Å; P334-M340 HydrophobicContact CG-CB 4.42Å; P334-M340 HydrophobicContact CG-CE 4.31Å; M340-F401 PolarHBondContact N-O 3.46Å; M340-F401 PolarHBondContact O-N 3.38Å; M340-F403 HydrophobicContact CB-CD1 4.27Å; M340-F403 HydrophobicContact CB-CE1 4.44Å
341	V	97.5	Very high	92.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	142	172.3	-179.8	0	0	0	0	107.8	P186 V332 M383 F398 V399	P186-V341 HydrophobicContact CB-CG2 4.43Å; P186-V341 WeakPolarHBondContact O-CG2 3.38Å; V332-V341 HydrophobicContact CB-CB 4.44Å; V332-V341 PolarHBondContact N-O 2.89Å; V341-M383 HydrophobicContact CG1-CE 4.24Å; V341-M383 HydrophobicContact CG1-CG 4.43Å; V341-M383 HydrophobicContact CG1-SD 4Å; V341-M383 HydrophobicContact CG2-CE 3.92Å; V341-M383 HydrophobicContact CG2-SD 3.71Å; V341-F398 HydrophobicContact CG1-CB 3.65Å; V341-F398 HydrophobicContact CG1-CD1 3.68Å; V341-F398 HydrophobicContact CG1-CG 3.96Å; V341-V399 WeakPolarHBondContact CA-O 3.19Å
342	A	96.2	Very high	91.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	135.1	174.6	0	0	0	0	0	111.4	L324 F329 E330 F398 V399 F401	L324-A342 HydrophobicContact CD1-CB 4.05Å; F329-A342 HydrophobicContact CB-CB 4.04Å; F329-A342 HydrophobicContact CD1-CB 4.21Å; E330-A342 WeakPolarHBondContact O-CA 3.3Å; A342-F398 WeakPolarHBondContact O-CA 3.23Å; A342-V399 PolarHBondContact N-O 3.35Å; A342-V399 PolarHBondContact O-N 3.31Å; A342-F401 HydrophobicContact CB-CD2 4.22Å; A342-F401 HydrophobicContact CB-CE2 3.87Å
343	D	95.3	Very high	89.7	Confident	33 Å²	33	39.8 Å²	39.8	18%	0.176	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	131.2	171.3	-171	-45	0	0	0	108.5	M155 F329 E330 S345 D397 F398	M155-D343 HydrophobicContact CE-CB 4.45Å; F329-D343 CarbonylContact C-O 3.39Å; F329-D343 VanDerWaalsContact CA-O 3.29Å; F329-D343 WeakPolarHBondContact CA-O 3.33Å; E330-D343 HydrophobicContact CB-CB 4.04Å; E330-D343 PolarHBondContact N-O 3.13Å; E330-D343 PolarHBondContact O-N 3.48Å; D343-S345 WeakPolarHBondContact OD1-CA 3.37Å; D343-S345 WeakPolarHBondContact OD1-CB 3.39Å; D343-S345 PolarHBondContact OD1-N 2.94Å; D343-S345 PolarHBondContact OD1-OG 3.15Å; D343-D397 WeakPolarHBondContact CA-O 3.33Å; D343-F398 HydrophobicContact CB-CD1 3.92Å; D343-F398 HydrophobicContact CB-CE1 3.6Å; D343-F398 HydrophobicContact CB-CZ 4.31Å
344	Y	93.3	Very high	88	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.			trans	-115.8	15.7	178	74.3	-88.3	0	0	0	112.5	K346 L347 K348 A360 D361 F364 E396 D397 V399	Y344-K346 PolarHBondContact O-N 3.3Å; Y344-L347 WeakPolarHBondContact O-CA 3.45Å; Y344-L347 WeakPolarHBondContact O-CB 3.29Å; Y344-L347 PolarHBondContact O-N 3.07Å; Y344-K348 HydrophobicContact CD2-CG 4.31Å; Y344-K348 HydrophobicContact CE2-CG 3.88Å; Y344-K348 PolarHBondContact O-N 3.33Å; Y344-A360 WeakPolarHBondContact OH-CB 3.23Å; Y344-A360 PolarHBondContact OH-O 3.17Å; Y344-D361 HydrophobicContact CE1-CB 3.83Å; Y344-D361 WeakPolarHBondContact OH-CA 3.47Å; Y344-D361 PolarHBondContact OH-N 2.87Å; Y344-F364 HydrophobicContact CD1-CD1 4.13Å; Y344-F364 HydrophobicContact CD1-CE1 4.39Å; Y344-F364 HydrophobicContact CD2-CB 4.14Å; Y344-F364 AromaticContact CD2-CD1 3.68Å; Y344-F364 HydrophobicContact CD2-CD1 3.68Å; Y344-F364 AromaticContact CD2-CD2 3.43Å; Y344-F364 HydrophobicContact CD2-CD2 3.43Å; Y344-F364 VanDerWaalsContact CD2-CD2 3.43Å; Y344-F364 AromaticContact CD2-CE1 3.86Å; Y344-F364 HydrophobicContact CD2-CE1 3.86Å; Y344-F364 AromaticContact CD2-CE2 3.63Å; Y344-F364 HydrophobicContact CD2-CE2 3.63Å; Y344-F364 AromaticContact CD2-CG 3.45Å; Y344-F364 HydrophobicContact CD2-CG 3.45Å; Y344-F364 VanDerWaalsContact CD2-CG 3.45Å; Y344-F364 AromaticContact CD2-CZ 3.83Å; Y344-F364 HydrophobicContact CD2-CZ 3.83Å; Y344-F364 HydrophobicContact CE1-CD1 4.38Å; Y344-F364 HydrophobicContact CE2-CB 3.57Å; Y344-F364 AromaticContact CE2-CD1 3.97Å; Y344-F364 HydrophobicContact CE2-CD1 3.97Å; Y344-F364 AromaticContact CE2-CD2 3.61Å; Y344-F364 HydrophobicContact CE2-CD2 3.61Å; Y344-F364 HydrophobicContact CE2-CE2 4.28Å; Y344-F364 AromaticContact CE2-CG 3.42Å; Y344-F364 HydrophobicContact CE2-CG 3.42Å; Y344-F364 VanDerWaalsContact CE2-CG 3.42Å; Y344-F364 AromaticContact CG-CD1 3.8Å; Y344-F364 HydrophobicContact CG-CD1 3.8Å; Y344-F364 HydrophobicContact CG-CD2 4.33Å; Y344-F364 AromaticContact CG-CE1 3.78Å; Y344-F364 HydrophobicContact CG-CE1 3.78Å; Y344-F364 HydrophobicContact CG-CE2 4.31Å; Y344-F364 HydrophobicContact CG-CG 4.08Å; Y344-F364 HydrophobicContact CG-CZ 4.04Å; Y344-E396 WeakPolarHBondContact CE1-O 3.47Å; Y344-E396 PolarHBondContact OH-O 2.83Å; Y344-D397 VanDerWaalsContact CD1-C 3.46Å; Y344-D397 WeakPolarHBondContact CD1-O 3.48Å; Y344-D397 WeakPolarHBondContact CE1-O 3.42Å; Y344-D397 PolarHBondContact N-O 3.25Å; Y344-V399 HydrophobicContact CD1-CG1 3.93Å; Y344-V399 HydrophobicContact CD1-CG2 4.29Å; Y344-V399 HydrophobicContact CE1-CG1 4.12Å
345	S	92.1	Very high	86.1	Confident	43 Å²	43	48.9 Å²	48.9	30%	0.301	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-52.5	-34.1	-176.4	-65.7	0	0	0	0	113.4	D343 L347 K348	D343-S345 WeakPolarHBondContact OD1-CA 3.37Å; D343-S345 WeakPolarHBondContact OD1-CB 3.39Å; D343-S345 PolarHBondContact OD1-N 2.94Å; D343-S345 PolarHBondContact OD1-OG 3.15Å; S345-L347 PolarHBondContact O-N 3.23Å; S345-K348 WeakPolarHBondContact O-CB 3.42Å; S345-K348 PolarHBondContact O-N 3.48Å
346	K	89.9	Confident	84.8	Confident	122 Å²	122	50 Å²	50	53%	0.53	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-64.9	-21.4	175	-64	179	177.2	178.4	0	113.3	A328 E330 Y344 H349	A328-K346 HydrophobicContact CB-CB 4.41Å; A328-K346 HydrophobicContact CB-CD 4.49Å; E330-K346 IonicContact OE1-NZ 2.76Å; E330-K346 PolarHBondContact OE1-NZ 2.68Å; Y344-K346 PolarHBondContact O-N 3.3Å; K346-H349 PolarHBondContact O-CE1 3.24Å; K346-H349 PolarHBondContact O-ND1 3.3Å
347	L	88.1	Confident	84	Confident	17 Å²	17	58.4 Å²	58.4	9%	0.089	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-103.7	0.4	-177.5	-57.5	175.7	0	0	0	113.3	A328 F329 Y344 S345 H349 H350 F364	A328-L347 HydrophobicContact CB-CD2 4.12Å; F329-L347 HydrophobicContact CD1-CD1 4.21Å; F329-L347 HydrophobicContact CD2-CD1 3.9Å; F329-L347 HydrophobicContact CE1-CD1 3.83Å; F329-L347 HydrophobicContact CE2-CD1 3.47Å; F329-L347 VanDerWaalsContact CE2-CD1 3.47Å; F329-L347 HydrophobicContact CG-CD1 4.24Å; F329-L347 HydrophobicContact CZ-CD1 3.44Å; F329-L347 VanDerWaalsContact CZ-CD1 3.44Å; Y344-L347 WeakPolarHBondContact O-CA 3.45Å; Y344-L347 WeakPolarHBondContact O-CB 3.29Å; Y344-L347 PolarHBondContact O-N 3.07Å; S345-L347 PolarHBondContact O-N 3.23Å; L347-H349 PolarHBondContact O-N 3.44Å; L347-H350 PolarHBondContact O-CD2 2.88Å; L347-H350 PolarHBondContact O-N 3.14Å; L347-H350 VanDerWaalsContact O-N 3.11Å; L347-F364 HydrophobicContact CB-CE2 3.8Å; L347-F364 HydrophobicContact CB-CZ 4.11Å; L347-F364 HydrophobicContact CD1-CZ 4.04Å
348	K	86.1	Confident	83.6	Confident	72 Å²	72	60.7 Å²	60.7	31%	0.313	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-56.7	-24.2	-179.4	-82.4	176.2	175.9	179.7	0	114.4	Y344 S345 H350 I351 D397	Y344-K348 HydrophobicContact CD2-CG 4.31Å; Y344-K348 HydrophobicContact CE2-CG 3.88Å; Y344-K348 PolarHBondContact O-N 3.33Å; S345-K348 WeakPolarHBondContact O-CB 3.42Å; S345-K348 PolarHBondContact O-N 3.48Å; K348-H350 PolarHBondContact O-N 3.24Å; K348-H350 VanDerWaalsContact O-N 3.09Å; K348-I351 WeakPolarHBondContact O-CG1 3.39Å; K348-I351 PolarHBondContact O-N 3.28Å; K348-D397 VanDerWaalsContact CE-CG 3.45Å; K348-D397 WeakPolarHBondContact CE-OD1 3.33Å; K348-D397 IonicContact NZ-OD1 3.18Å; K348-D397 PolarHBondContact NZ-OD1 3.43Å; K348-D397 IonicContact NZ-OD2 3.66Å; K348-D397 PolarHBondContact NZ-OD2 2.96Å
349	H	82.9	Confident	83.4	Confident	127 Å²	127	61.2 Å²	61.2	59%	0.588	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-64.6	-11.7	178.5	66.6	-81.5	0	0	0	113.9	K346 L347	K346-H349 PolarHBondContact O-CE1 3.24Å; K346-H349 PolarHBondContact O-ND1 3.3Å; L347-H349 PolarHBondContact O-N 3.44Å
350	H	78.4	Confident	83.2	Confident	34 Å²	34	62 Å²	62	16%	0.157	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-82.3	-17.8	176.2	-67.2	-42.2	0	0	0	115.3	L347 K348 W367 Y433	L347-H350 PolarHBondContact O-CD2 2.88Å; L347-H350 PolarHBondContact O-N 3.14Å; L347-H350 VanDerWaalsContact O-N 3.11Å; K348-H350 PolarHBondContact O-N 3.24Å; K348-H350 VanDerWaalsContact O-N 3.09Å; H350-W367 HydrophobicContact CB-CD2 3.95Å; H350-W367 HydrophobicContact CB-CE3 4.07Å; H350-W367 HydrophobicContact CB-CH2 3.63Å; H350-W367 HydrophobicContact CB-CZ2 3.48Å; H350-W367 VanDerWaalsContact CB-CZ2 3.48Å; H350-W367 HydrophobicContact CB-CZ3 3.92Å; H350-W367 AromaticContact CD2-CH2 3.51Å; H350-W367 AromaticContact CD2-CZ2 3.98Å; H350-W367 AromaticContact CG-CH2 3.52Å; H350-W367 AromaticContact CG-CZ2 3.52Å; H350-Y433 AromaticContact CE1-CZ 3.75Å; H350-Y433 PolarHBondContact CE1-OH 3.49Å; H350-Y433 PolarHBondContact ND1-OH 3.07Å; H350-Y433 AromaticContact NE2-CE1 3.67Å; H350-Y433 AromaticContact NE2-CZ 3.6Å; H350-Y433 PolarHBondContact NE2-OH 2.89Å
351	I	80.2	Confident	83.1	Confident	27 Å²	27	62 Å²	62	14%	0.138	34%	0.335	C	S	.	.	S	Bend	trans	-97.3	131.6	175.2	53.7	171.3	0	0	0	108.8	K348 Q353 A360 Q363 F364 W367	K348-I351 WeakPolarHBondContact O-CG1 3.39Å; K348-I351 PolarHBondContact O-N 3.28Å; I351-Q353 PolarHBondContact O-N 2.94Å; I351-A360 HydrophobicContact CD1-CB 4.07Å; I351-Q363 HydrophobicContact CB-CB 4.48Å; I351-Q363 HydrophobicContact CD1-CB 4.44Å; I351-Q363 HydrophobicContact CG2-CB 4.27Å; I351-F364 HydrophobicContact CD1-CB 4.5Å; I351-F364 HydrophobicContact CG2-CB 4.08Å; I351-F364 HydrophobicContact CG2-CD2 4.22Å; I351-W367 HydrophobicContact CG2-CB 4.12Å
352	S	67.6	Low	82.9	Confident	85 Å²	85	63.2 Å²	63.2	59%	0.594	34%	0.34	S	S	*	.			trans	-68.8	131.6	172.7	66.9	0	0	0	0	108.3	T354 Q363	S352-T354 VanDerWaalsContact C-N 3.26Å; S352-T354 PolarHBondContact O-N 3.34Å; S352-T354 VanDerWaalsContact OG-CG2 3.29Å; S352-T354 WeakPolarHBondContact OG-CG2 3.24Å; S352-Q363 PolarHBondContact O-OE1 3.37Å
353	Q	60.3	Low	82.6	Confident	201 Å²	201	64.7 Å²	64.7	94%	0.939	35%	0.347	S	S	*	.			trans	-61.7	92.5	167.5	-70.3	-172	-7.3	0	0	108.7	I351	I351-Q353 PolarHBondContact O-N 2.94Å
354	T	60.2	Low	82.4	Confident	67 Å²	67	63.1 Å²	63.1	41%	0.411	34%	0.339	S	S	.	.			trans	-84.1	151.3	172.4	62.9	0	0	0	0	108.7	S352 S356 Q363	S352-T354 VanDerWaalsContact C-N 3.26Å; S352-T354 PolarHBondContact O-N 3.34Å; S352-T354 VanDerWaalsContact OG-CG2 3.29Å; S352-T354 WeakPolarHBondContact OG-CG2 3.24Å; T354-S356 PolarHBondContact O-N 2.94Å; T354-S356 WeakPolarHBondContact OG1-CB 3.3Å; T354-Q363 PolarHBondContact OG1-OE1 3.12Å
355	T	59.4	Low	82.4	Confident	152 Å²	152	63.1 Å²	63.1	93%	0.933	34%	0.339	S	S	*	.	S	Bend	trans	-74.4	25.2	173.3	58.4	0	0	0	0	112.4
356	S	70	Confident	82.3	Confident	61 Å²	61	64.7 Å²	64.7	43%	0.427	34%	0.338	S	S	.	.			trans	-81.5	138.8	-178.7	-174.9	0	0	0	0	109.5	T354 E358	T354-S356 PolarHBondContact O-N 2.94Å; T354-S356 WeakPolarHBondContact OG1-CB 3.3Å; S356-E358 PolarHBondContact O-N 3.49Å; S356-E358 VanDerWaalsContact O-N 3.11Å; S356-E358 VanDerWaalsContact OG-CB 3.23Å; S356-E358 WeakPolarHBondContact OG-CB 3.46Å; S356-E358 PolarHBondContact OG-N 3.24Å
357	D	81.1	Confident	82.2	Confident	175 Å²	175	61 Å²	61	94%	0.936	32%	0.321	S	S	*	.	S	Bend	trans	-70.4	4.7	169.3	-65.6	-30.1	0	0	0	112.4
358	E	87	Confident	82.2	Confident	50 Å²	50	60.6 Å²	60.6	23%	0.234	32%	0.318	C	S	.	.	S	Bend	trans	-78.4	133.7	-180	-175.9	177.6	-112.7	0	0	112.1	S356 Y362 Q363 R366	S356-E358 PolarHBondContact O-N 3.49Å; S356-E358 VanDerWaalsContact O-N 3.11Å; S356-E358 VanDerWaalsContact OG-CB 3.23Å; S356-E358 WeakPolarHBondContact OG-CB 3.46Å; S356-E358 PolarHBondContact OG-N 3.24Å; E358-Y362 HydrophobicContact CG-CG 4.23Å; E358-Q363 PolarHBondContact O-NE2 3Å; E358-Q363 VanDerWaalsContact O-NE2 3.12Å; E358-Q363 WeakPolarHBondContact OE2-CG 3.43Å; E358-R366 IonicContact OE1-CZ 3.68Å; E358-R366 IonicContact OE1-NH1 2.83Å; E358-R366 PolarHBondContact OE1-NH1 2.81Å; E358-R366 IonicContact OE1-NH2 3.68Å; E358-R366 PolarHBondContact OE1-NH2 3.19Å; E358-R366 IonicContact OE2-CZ 2.91Å; E358-R366 IonicContact OE2-NH1 2.68Å; E358-R366 PolarHBondContact OE2-NH1 3.45Å
359	P	91.5	Very high	82.2	Confident	15 Å²	15	57.3 Å²	57.3	10%	0.097	30%	0.304	C	S	.	.			trans	-50.5	143.3	174.7	-26.9	33.3	0	0	0	113.9	D361 Y362 S384 K392 E396	P359-D361 VanDerWaalsContact C-N 3.27Å; P359-D361 WeakPolarHBondContact CB-OD1 3.39Å; P359-D361 PolarHBondContact O-N 3.3Å; P359-Y362 HydrophobicContact CB-CD2 4.11Å; P359-Y362 HydrophobicContact CG-CD2 4.29Å; P359-Y362 PolarHBondContact O-N 3.01Å; P359-S384 VanDerWaalsContact CB-OG 3.29Å; P359-S384 WeakPolarHBondContact CB-OG 3.43Å; P359-K392 HydrophobicContact CG-CB 4.17Å; P359-K392 HydrophobicContact CG-CD 3.45Å; P359-K392 VanDerWaalsContact CG-CD 3.45Å; P359-K392 HydrophobicContact CG-CG 4.45Å; P359-E396 HydrophobicContact CB-CB 4.16Å
360	A	92.7	Very high	82.1	Confident	21 Å²	21	52.3 Å²	52.3	17%	0.174	28%	0.284	C	S	.	.	H	α-helix	trans	-59.2	-35.3	-176.5	0	0	0	0	0	113.4	Y344 I351 Y362 Q363 F364 E396	Y344-A360 WeakPolarHBondContact OH-CB 3.23Å; Y344-A360 PolarHBondContact OH-O 3.17Å; I351-A360 HydrophobicContact CD1-CB 4.07Å; A360-Y362 PolarHBondContact O-N 2.98Å; A360-Q363 WeakPolarHBondContact O-CB 3.48Å; A360-Q363 PolarHBondContact O-N 2.99Å; A360-F364 PolarHBondContact O-N 3.29Å; A360-E396 HydrophobicContact CB-CB 4.46Å
361	D	94.3	Very high	81.4	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-68.3	-31.8	-179.2	56.4	-13.6	0	0	0	113.1	Y344 P359 Q363 F364 V365 P382 M383 S384 E396 F398 V399	Y344-D361 HydrophobicContact CE1-CB 3.83Å; Y344-D361 WeakPolarHBondContact OH-CA 3.47Å; Y344-D361 PolarHBondContact OH-N 2.87Å; P359-D361 VanDerWaalsContact C-N 3.27Å; P359-D361 WeakPolarHBondContact CB-OD1 3.39Å; P359-D361 PolarHBondContact O-N 3.3Å; D361-Q363 VanDerWaalsContact C-N 3.35Å; D361-F364 PolarHBondContact O-N 3.35Å; D361-V365 WeakPolarHBondContact O-CB 3.32Å; D361-V365 VanDerWaalsContact O-CG2 3.25Å; D361-V365 WeakPolarHBondContact O-CG2 3.4Å; D361-V365 PolarHBondContact O-N 3.16Å; D361-P382 HydrophobicContact CB-CB 3.88Å; D361-P382 VanDerWaalsContact CG-CB 3.43Å; D361-P382 VanDerWaalsContact OD2-C 3.32Å; D361-P382 WeakPolarHBondContact OD2-CA 3.48Å; D361-P382 VanDerWaalsContact OD2-CB 3.23Å; D361-P382 WeakPolarHBondContact OD2-CB 3.3Å; D361-M383 PolarHBondContact OD2-N 3.17Å; D361-S384 WeakPolarHBondContact OD1-CB 3.43Å; D361-S384 PolarHBondContact OD1-OG 2.89Å; D361-S384 VanDerWaalsContact OD2-CB 3.22Å; D361-S384 WeakPolarHBondContact OD2-CB 3.32Å; D361-S384 PolarHBondContact OD2-N 3.17Å; D361-S384 PolarHBondContact OD2-OG 3.4Å; D361-E396 VanDerWaalsContact CB-O 3.29Å; D361-E396 WeakPolarHBondContact CB-O 3.42Å; D361-E396 PolarHBondContact N-O 2.85Å; D361-F398 WeakPolarHBondContact CB-O 3.28Å; D361-V399 HydrophobicContact CB-CG1 4.41Å
362	Y	93.5	Very high	80.6	Confident	25 Å²	25	64.1 Å²	64.1	10%	0.098	34%	0.336	C	S	.	.	H	α-helix	trans	-62	-46.1	171.8	-85	-115.5	0	0	0	110.5	V17 F21 E358 P359 A360 F364 V365 R366 P382 S384 A385	V17-Y362 HydrophobicContact CG2-CE1 4.4Å; V17-Y362 WeakPolarHBondContact CG2-OH 3.43Å; F21-Y362 HydrophobicContact CE2-CD1 4.1Å; F21-Y362 AromaticContact CE2-CE1 3.84Å; F21-Y362 HydrophobicContact CE2-CE1 3.84Å; F21-Y362 AromaticContact CZ-CD1 3.73Å; F21-Y362 HydrophobicContact CZ-CD1 3.73Å; F21-Y362 AromaticContact CZ-CE1 3.98Å; F21-Y362 HydrophobicContact CZ-CE1 3.98Å; F21-Y362 HydrophobicContact CZ-CG 4.23Å; E358-Y362 HydrophobicContact CG-CG 4.23Å; P359-Y362 HydrophobicContact CB-CD2 4.11Å; P359-Y362 HydrophobicContact CG-CD2 4.29Å; P359-Y362 PolarHBondContact O-N 3.01Å; A360-Y362 PolarHBondContact O-N 2.98Å; Y362-F364 VanDerWaalsContact C-N 3.31Å; Y362-F364 PolarHBondContact O-N 2.87Å; Y362-V365 PolarHBondContact O-N 2.88Å; Y362-R366 WeakPolarHBondContact O-CB 3.29Å; Y362-R366 WeakPolarHBondContact O-CG 3.21Å; Y362-R366 PolarHBondContact O-N 3.06Å; Y362-P382 HydrophobicContact CD1-CG 4.31Å; Y362-P382 HydrophobicContact CD2-CB 3.49Å; Y362-P382 VanDerWaalsContact CD2-CB 3.49Å; Y362-P382 HydrophobicContact CD2-CG 3.52Å; Y362-P382 HydrophobicContact CE1-CG 4.19Å; Y362-P382 HydrophobicContact CE2-CB 3.65Å; Y362-P382 HydrophobicContact CE2-CG 3.37Å; Y362-P382 HydrophobicContact CG-CB 4.21Å; Y362-P382 HydrophobicContact CG-CG 3.99Å; Y362-S384 WeakPolarHBondContact CD2-OG 3.35Å; Y362-S384 WeakPolarHBondContact CE2-OG 3.18Å; Y362-A385 HydrophobicContact CE2-CB 4.38Å; Y362-A385 WeakPolarHBondContact OH-CB 3.49Å
363	Q	91.1	Very high	80.2	Confident	32 Å²	32	60.4 Å²	60.4	15%	0.15	31%	0.31	C	S	.	.	H	α-helix	trans	-62.2	-42.2	177.2	-58.6	-179.6	51.4	0	0	110.7	I351 S352 T354 E358 A360 D361 R366 W367	I351-Q363 HydrophobicContact CB-CB 4.48Å; I351-Q363 HydrophobicContact CD1-CB 4.44Å; I351-Q363 HydrophobicContact CG2-CB 4.27Å; S352-Q363 PolarHBondContact O-OE1 3.37Å; T354-Q363 PolarHBondContact OG1-OE1 3.12Å; E358-Q363 PolarHBondContact O-NE2 3Å; E358-Q363 VanDerWaalsContact O-NE2 3.12Å; E358-Q363 WeakPolarHBondContact OE2-CG 3.43Å; A360-Q363 WeakPolarHBondContact O-CB 3.48Å; A360-Q363 PolarHBondContact O-N 2.99Å; D361-Q363 VanDerWaalsContact C-N 3.35Å; Q363-R366 PolarHBondContact O-N 3.36Å; Q363-W367 WeakPolarHBondContact O-CB 3.48Å; Q363-W367 PolarHBondContact O-N 3.41Å
364	F	91.6	Very high	80	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.5	-48.1	178.5	-176.3	-100.3	0	0	0	112.4	F329 Y344 L347 I351 A360 D361 Y362 R366 W367 L368 V399	F329-F364 AromaticContact CE1-CE1 3.9Å; F329-F364 HydrophobicContact CE1-CE1 3.9Å; F329-F364 AromaticContact CE1-CZ 3.99Å; F329-F364 HydrophobicContact CE1-CZ 3.99Å; F329-F364 HydrophobicContact CZ-CE1 4.13Å; F329-F364 AromaticContact CZ-CZ 3.96Å; F329-F364 HydrophobicContact CZ-CZ 3.96Å; Y344-F364 HydrophobicContact CD1-CD1 4.13Å; Y344-F364 HydrophobicContact CD1-CE1 4.39Å; Y344-F364 HydrophobicContact CD2-CB 4.14Å; Y344-F364 AromaticContact CD2-CD1 3.68Å; Y344-F364 HydrophobicContact CD2-CD1 3.68Å; Y344-F364 AromaticContact CD2-CD2 3.43Å; Y344-F364 HydrophobicContact CD2-CD2 3.43Å; Y344-F364 VanDerWaalsContact CD2-CD2 3.43Å; Y344-F364 AromaticContact CD2-CE1 3.86Å; Y344-F364 HydrophobicContact CD2-CE1 3.86Å; Y344-F364 AromaticContact CD2-CE2 3.63Å; Y344-F364 HydrophobicContact CD2-CE2 3.63Å; Y344-F364 AromaticContact CD2-CG 3.45Å; Y344-F364 HydrophobicContact CD2-CG 3.45Å; Y344-F364 VanDerWaalsContact CD2-CG 3.45Å; Y344-F364 AromaticContact CD2-CZ 3.83Å; Y344-F364 HydrophobicContact CD2-CZ 3.83Å; Y344-F364 HydrophobicContact CE1-CD1 4.38Å; Y344-F364 HydrophobicContact CE2-CB 3.57Å; Y344-F364 AromaticContact CE2-CD1 3.97Å; Y344-F364 HydrophobicContact CE2-CD1 3.97Å; Y344-F364 AromaticContact CE2-CD2 3.61Å; Y344-F364 HydrophobicContact CE2-CD2 3.61Å; Y344-F364 HydrophobicContact CE2-CE2 4.28Å; Y344-F364 AromaticContact CE2-CG 3.42Å; Y344-F364 HydrophobicContact CE2-CG 3.42Å; Y344-F364 VanDerWaalsContact CE2-CG 3.42Å; Y344-F364 AromaticContact CG-CD1 3.8Å; Y344-F364 HydrophobicContact CG-CD1 3.8Å; Y344-F364 HydrophobicContact CG-CD2 4.33Å; Y344-F364 AromaticContact CG-CE1 3.78Å; Y344-F364 HydrophobicContact CG-CE1 3.78Å; Y344-F364 HydrophobicContact CG-CE2 4.31Å; Y344-F364 HydrophobicContact CG-CG 4.08Å; Y344-F364 HydrophobicContact CG-CZ 4.04Å; L347-F364 HydrophobicContact CB-CE2 3.8Å; L347-F364 HydrophobicContact CB-CZ 4.11Å; L347-F364 HydrophobicContact CD1-CZ 4.04Å; I351-F364 HydrophobicContact CD1-CB 4.5Å; I351-F364 HydrophobicContact CG2-CB 4.08Å; I351-F364 HydrophobicContact CG2-CD2 4.22Å; A360-F364 PolarHBondContact O-N 3.29Å; D361-F364 PolarHBondContact O-N 3.35Å; Y362-F364 VanDerWaalsContact C-N 3.31Å; Y362-F364 PolarHBondContact O-N 2.87Å; F364-R366 VanDerWaalsContact C-N 3.33Å; F364-R366 PolarHBondContact O-N 3.33Å; F364-W367 AromaticContact CD2-CE3 3.97Å; F364-W367 HydrophobicContact CD2-CE3 3.97Å; F364-W367 HydrophobicContact CD2-CZ3 4.25Å; F364-W367 AromaticContact CE2-CE3 3.81Å; F364-W367 HydrophobicContact CE2-CE3 3.81Å; F364-W367 AromaticContact CE2-CZ3 3.62Å; F364-W367 HydrophobicContact CE2-CZ3 3.62Å; F364-W367 HydrophobicContact CZ-CE3 4.44Å; F364-W367 HydrophobicContact CZ-CZ3 4.09Å; F364-W367 PolarHBondContact O-N 3.01Å; F364-L368 HydrophobicContact CE1-CD2 4.16Å; F364-L368 VanDerWaalsContact O-CB 3.32Å; F364-L368 WeakPolarHBondContact O-CB 3.37Å; F364-L368 PolarHBondContact O-N 3.48Å; F364-V399 HydrophobicContact CD1-CG1 3.92Å; F364-V399 HydrophobicContact CE1-CG1 4.39Å
365	V	91.8	Very high	79.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.9	-40.4	178.3	172.8	0	0	0	0	111.1	F21 D361 Y362 L368 C369 L380 P382 V399	F21-V365 HydrophobicContact CD1-CG1 3.57Å; F21-V365 HydrophobicContact CE1-CB 3.94Å; F21-V365 HydrophobicContact CE1-CG1 3.4Å; F21-V365 VanDerWaalsContact CE1-CG1 3.4Å; F21-V365 HydrophobicContact CZ-CG1 4.35Å; D361-V365 WeakPolarHBondContact O-CB 3.32Å; D361-V365 VanDerWaalsContact O-CG2 3.25Å; D361-V365 WeakPolarHBondContact O-CG2 3.4Å; D361-V365 PolarHBondContact O-N 3.16Å; Y362-V365 PolarHBondContact O-N 2.88Å; V365-L368 PolarHBondContact O-N 2.88Å; V365-C369 VanDerWaalsContact O-CB 3.27Å; V365-C369 WeakPolarHBondContact O-CB 3.46Å; V365-C369 PolarHBondContact O-N 3.29Å; V365-L380 HydrophobicContact CG1-CB 4.31Å; V365-L380 VanDerWaalsContact CG1-O 3.29Å; V365-L380 WeakPolarHBondContact CG1-O 3.5Å; V365-L380 HydrophobicContact CG2-CB 4.13Å; V365-P382 HydrophobicContact CG2-CB 4.29Å; V365-V399 HydrophobicContact CG2-CG1 3.6Å
366	R	90.3	Very high	79.8	Confident	76 Å²	76	49.8 Å²	49.8	29%	0.287	25%	0.247	S	C	.	.	H	α-helix	trans	-63.8	-43.6	174.3	-72.7	-170.2	-163.3	126.7	4.3	112.2	E20 F21 L24 E358 Y362 Q363 F364 C369 S370	E20-R366 IonicContact OE1-CZ 2.95Å; E20-R366 IonicContact OE1-NE 3.4Å; E20-R366 PolarHBondContact OE1-NE 3.03Å; E20-R366 IonicContact OE1-NH2 3.74Å; E20-R366 PolarHBondContact OE1-NH2 3.38Å; E20-R366 IonicContact OE2-NH2 3.58Å; F21-R366 HydrophobicContact CE1-CG 4.44Å; L24-R366 HydrophobicContact CD1-CG 3.76Å; E358-R366 IonicContact OE1-CZ 3.68Å; E358-R366 IonicContact OE1-NH1 2.83Å; E358-R366 PolarHBondContact OE1-NH1 2.81Å; E358-R366 IonicContact OE1-NH2 3.68Å; E358-R366 PolarHBondContact OE1-NH2 3.19Å; E358-R366 IonicContact OE2-CZ 2.91Å; E358-R366 IonicContact OE2-NH1 2.68Å; E358-R366 PolarHBondContact OE2-NH1 3.45Å; Y362-R366 WeakPolarHBondContact O-CB 3.29Å; Y362-R366 WeakPolarHBondContact O-CG 3.21Å; Y362-R366 PolarHBondContact O-N 3.06Å; Q363-R366 PolarHBondContact O-N 3.36Å; F364-R366 VanDerWaalsContact C-N 3.33Å; F364-R366 PolarHBondContact O-N 3.33Å; R366-C369 PolarHBondContact O-N 3.04Å; R366-S370 WeakPolarHBondContact O-CB 3.26Å; R366-S370 PolarHBondContact O-N 3.15Å; R366-S370 VanDerWaalsContact O-N 3.12Å
367	W	87.9	Confident	80.3	Confident	45 Å²	45	49.4 Å²	49.4	17%	0.17	24%	0.238	C	C	.	.	H	α-helix	trans	-59	-50.6	175.7	167.1	79.6	0	0	0	110.9	H350 I351 Q363 F364 C369 S370	H350-W367 HydrophobicContact CB-CD2 3.95Å; H350-W367 HydrophobicContact CB-CE3 4.07Å; H350-W367 HydrophobicContact CB-CH2 3.63Å; H350-W367 HydrophobicContact CB-CZ2 3.48Å; H350-W367 VanDerWaalsContact CB-CZ2 3.48Å; H350-W367 HydrophobicContact CB-CZ3 3.92Å; H350-W367 AromaticContact CD2-CH2 3.51Å; H350-W367 AromaticContact CD2-CZ2 3.98Å; H350-W367 AromaticContact CG-CH2 3.52Å; H350-W367 AromaticContact CG-CZ2 3.52Å; I351-W367 HydrophobicContact CG2-CB 4.12Å; Q363-W367 WeakPolarHBondContact O-CB 3.48Å; Q363-W367 PolarHBondContact O-N 3.41Å; F364-W367 AromaticContact CD2-CE3 3.97Å; F364-W367 HydrophobicContact CD2-CE3 3.97Å; F364-W367 HydrophobicContact CD2-CZ3 4.25Å; F364-W367 AromaticContact CE2-CE3 3.81Å; F364-W367 HydrophobicContact CE2-CE3 3.81Å; F364-W367 AromaticContact CE2-CZ3 3.62Å; F364-W367 HydrophobicContact CE2-CZ3 3.62Å; F364-W367 HydrophobicContact CZ-CE3 4.44Å; F364-W367 HydrophobicContact CZ-CZ3 4.09Å; F364-W367 PolarHBondContact O-N 3.01Å; W367-C369 VanDerWaalsContact C-N 3.27Å; W367-C369 PolarHBondContact O-N 3.4Å; W367-S370 PolarHBondContact O-N 3.09Å; W367-S370 PolarHBondContact O-OG 3.05Å
368	L	87.6	Confident	80.4	Confident	8 Å²	8	41.3 Å²	41.3	4%	0.042	19%	0.194	C	C	.	.	H	α-helix	trans	-63.6	-31.8	-177.6	-170.1	68.8	0	0	0	112.9	F364 V365 A373 K377 L378 L380	F364-L368 HydrophobicContact CE1-CD2 4.16Å; F364-L368 VanDerWaalsContact O-CB 3.32Å; F364-L368 WeakPolarHBondContact O-CB 3.37Å; F364-L368 PolarHBondContact O-N 3.48Å; V365-L368 PolarHBondContact O-N 2.88Å; L368-A373 WeakPolarHBondContact O-CB 3.4Å; L368-K377 WeakPolarHBondContact O-CA 3.12Å; L368-L378 CarbonylContact C-O 3.48Å; L368-L378 HydrophobicContact CD2-CB 3.87Å; L368-L378 HydrophobicContact CD2-CD1 4.27Å; L368-L378 HydrophobicContact CG-CB 3.93Å; L368-L378 PolarHBondContact O-N 2.76Å; L368-L380 HydrophobicContact CD2-CD1 3.39Å; L368-L380 HydrophobicContact CD2-CG 4Å
369	C	86.4	Confident	80.5	Confident	2 Å²	2	39 Å²	39	1%	0.014	18%	0.184	C	C	.	.	H	α-helix	trans	-80.4	-18.2	175.9	-168.6	0	0	0	0	113	H28 V365 R366 W367 L378	H28-C369 WeakPolarHBondContact CB-O 3.39Å; V365-C369 VanDerWaalsContact O-CB 3.27Å; V365-C369 WeakPolarHBondContact O-CB 3.46Å; V365-C369 PolarHBondContact O-N 3.29Å; R366-C369 PolarHBondContact O-N 3.04Å; W367-C369 VanDerWaalsContact C-N 3.27Å; W367-C369 PolarHBondContact O-N 3.4Å; C369-L378 WeakPolarHBondContact CA-O 3.43Å; C369-L378 WeakPolarHBondContact CB-O 3.45Å; C369-L378 PolarHBondContact N-O 3.34Å
370	S	81.9	Confident	80.5	Confident	22 Å²	22	38.3 Å²	38.3	15%	0.154	18%	0.18	C	C	.	.	S	Bend	trans	-87.2	167.9	-173.6	77.8	0	0	0	0	113.6	R366 W367 K372 A373	R366-S370 WeakPolarHBondContact O-CB 3.26Å; R366-S370 PolarHBondContact O-N 3.15Å; R366-S370 VanDerWaalsContact O-N 3.12Å; W367-S370 PolarHBondContact O-N 3.09Å; W367-S370 PolarHBondContact O-OG 3.05Å; S370-K372 PolarHBondContact O-N 3.4Å; S370-K372 PolarHBondContact OG-N 3.35Å; S370-A373 WeakPolarHBondContact O-CB 3.41Å; S370-A373 PolarHBondContact O-N 3.42Å
371	E	63.7	Low	80.5	Confident	148 Å²	148	37.5 Å²	37.5	69%	0.692	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-14.7	174.6	-64.5	-177.2	171.2	0	0	114.3	A373	E371-A373 PolarHBondContact O-N 2.75Å
372	K	62.3	Low	80.6	Confident	162 Å²	162	37.5 Å²	37.5	70%	0.704	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-18.7	174.8	-63.4	-173.2	177.7	-176.9	0	112.6	S370 S374	S370-K372 PolarHBondContact O-N 3.4Å; S370-K372 PolarHBondContact OG-N 3.35Å; K372-S374 PolarHBondContact O-N 2.98Å; K372-S374 VanDerWaalsContact O-N 3.12Å; K372-S374 PolarHBondContact O-OG 3.31Å
373	A	60.5	Low	80.7	Confident	6 Å²	6	36.3 Å²	36.3	5%	0.05	17%	0.168	C	C	.	.	S	Bend	trans	-75.9	93.9	165.5	0	0	0	0	0	107.7	L368 S370 E371 Y375	L368-A373 WeakPolarHBondContact O-CB 3.4Å; S370-A373 WeakPolarHBondContact O-CB 3.41Å; S370-A373 PolarHBondContact O-N 3.42Å; E371-A373 PolarHBondContact O-N 2.75Å; A373-Y375 PolarHBondContact O-N 3.44Å
374	S	54.6	Low	80.9	Confident	45 Å²	45	34.8 Å²	34.8	32%	0.315	16%	0.16	S	C	.	.	S	Bend	trans	-56.7	-5.4	-157	-43.3	0	0	0	0	118.5	K372 L469	K372-S374 PolarHBondContact O-N 2.98Å; K372-S374 VanDerWaalsContact O-N 3.12Å; K372-S374 PolarHBondContact O-OG 3.31Å; S374-L469 VanDerWaalsContact CB-CD2 3.48Å; S374-L469 VanDerWaalsContact OG-CD1 3.29Å; S374-L469 WeakPolarHBondContact OG-CD1 3.04Å
375	Y	52.8	Low	81.1	Confident	77 Å²	77	35.4 Å²	35.4	30%	0.302	17%	0.166	S	C	.	.	S	Bend	trans	-144.2	-43.4	178.3	-63.2	-78.4	0	0	0	114.5	A373 F429 L469 T472	A373-Y375 PolarHBondContact O-N 3.44Å; Y375-F429 HydrophobicContact CD2-CD2 4.18Å; Y375-F429 HydrophobicContact CD2-CE2 4.24Å; Y375-F429 HydrophobicContact CG-CD2 4.48Å; Y375-L469 HydrophobicContact CD2-CD2 4.33Å; Y375-L469 HydrophobicContact CE2-CD2 3.32Å; Y375-L469 WeakPolarHBondContact OH-CD2 3.16Å; Y375-L469 PolarHBondContact OH-O 3.39Å; Y375-T472 HydrophobicContact CE1-CG2 4.42Å; Y375-T472 WeakPolarHBondContact OH-CB 3.46Å; Y375-T472 PolarHBondContact OH-OG1 3.41Å
376	H	62.4	Low	81.3	Confident	76 Å²	76	35.4 Å²	35.4	35%	0.352	17%	0.166	S	C	.	.			trans	-136.2	116.6	-175.6	-62.3	93.9	0	0	0	111.1	T425	H376-T425 WeakPolarHBondContact CE1-CG2 3.23Å; H376-T425 WeakPolarHBondContact NE2-CG2 3.3Å
377	K	80.5	Confident	81.7	Confident	53 Å²	53	32.1 Å²	32.1	23%	0.23	15%	0.153	C	C	.	.			trans	-83	123.4	-177.9	-60.1	160	174.5	175.8	0	108.1	H28 A30 L31 L368	H28-K377 HydrophobicContact CB-CD 4.11Å; H28-K377 WeakPolarHBondContact O-CD 3.41Å; H28-K377 WeakPolarHBondContact O-CE 3.36Å; H28-K377 PolarHBondContact O-NZ 3.24Å; A30-K377 CarbonylContact C-O 3.56Å; A30-K377 VanDerWaalsContact CA-O 3.23Å; A30-K377 WeakPolarHBondContact CA-O 3.38Å; A30-K377 HydrophobicContact CB-CB 3.7Å; A30-K377 WeakPolarHBondContact CB-O 3.1Å; L31-K377 PolarHBondContact N-O 2.99Å; L368-K377 WeakPolarHBondContact O-CA 3.12Å
378	L	84.7	Confident	82.1	Confident	4 Å²	4	30.2 Å²	30.2	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.8	176.8	-58.9	177.9	0	0	0	110.6	L31 L33 L368 C369 L380 F426	L31-L378 HydrophobicContact CB-CD2 3.9Å; L31-L378 HydrophobicContact CD2-CD2 3.95Å; L31-L378 HydrophobicContact CG-CD2 4.31Å; L33-L378 HydrophobicContact CD1-CD2 4.46Å; L368-L378 CarbonylContact C-O 3.48Å; L368-L378 HydrophobicContact CD2-CB 3.87Å; L368-L378 HydrophobicContact CD2-CD1 4.27Å; L368-L378 HydrophobicContact CG-CB 3.93Å; L368-L378 PolarHBondContact O-N 2.76Å; C369-L378 WeakPolarHBondContact CA-O 3.43Å; C369-L378 WeakPolarHBondContact CB-O 3.45Å; C369-L378 PolarHBondContact N-O 3.34Å; L378-L380 HydrophobicContact CB-CG 4.49Å; L378-F426 HydrophobicContact CD1-CE2 3.68Å; L378-F426 HydrophobicContact CD1-CZ 3.89Å
379	G	87.4	Confident	82.4	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	112.8	169.5	0	0	0	0	0	110.3	V25 L31 L33 G34	V25-G379 VanDerWaalsContact CG2-CA 3.47Å; L31-G379 PolarHBondContact O-N 2.88Å; L33-G379 CarbonylContact C-O 3.51Å; L33-G379 PolarHBondContact N-O 3.34Å; G34-G379 PolarHBondContact N-O 2.05Å
380	L	91.6	Very high	82.8	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.01	21%	0.214	C	C	.	.			trans	-122.4	-180	176.6	-58.3	-177.6	0	0	0	110.6	L33 V365 L368 L378 V399 F401	L33-L380 HydrophobicContact CB-CD2 3.82Å; V365-L380 HydrophobicContact CG1-CB 4.31Å; V365-L380 VanDerWaalsContact CG1-O 3.29Å; V365-L380 WeakPolarHBondContact CG1-O 3.5Å; V365-L380 HydrophobicContact CG2-CB 4.13Å; L368-L380 HydrophobicContact CD2-CD1 3.39Å; L368-L380 HydrophobicContact CD2-CG 4Å; L378-L380 HydrophobicContact CB-CG 4.49Å; L380-V399 HydrophobicContact CD1-CB 4.2Å; L380-V399 HydrophobicContact CD1-CG2 3.96Å; L380-F401 HydrophobicContact CD1-CD1 4.28Å; L380-F401 HydrophobicContact CD1-CE1 3.55Å; L380-F401 HydrophobicContact CD1-CE2 3.96Å; L380-F401 HydrophobicContact CD1-CZ 3.35Å; L380-F401 HydrophobicContact CD2-CD1 3.33Å; L380-F401 HydrophobicContact CD2-CE1 3.35Å; L380-F401 HydrophobicContact CD2-CG 3.97Å; L380-F401 HydrophobicContact CD2-CZ 4Å; L380-F401 HydrophobicContact CG-CD1 4.46Å; L380-F401 HydrophobicContact CG-CE1 4.09Å; L380-F401 HydrophobicContact CG-CZ 4.35Å
381	I	93.8	Very high	83.5	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.015	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.8	172.7	-57.4	-64.7	0	0	0	108.9	W18 F21 G34 F386 R400	W18-I381 HydrophobicContact CE3-CD1 4.01Å; W18-I381 HydrophobicContact CH2-CG1 4.43Å; W18-I381 HydrophobicContact CH2-CG2 4.46Å; W18-I381 HydrophobicContact CZ3-CD1 3.61Å; W18-I381 HydrophobicContact CZ3-CG1 3.83Å; W18-I381 HydrophobicContact CZ3-CG2 4.47Å; F21-I381 HydrophobicContact CB-CD1 4.01Å; F21-I381 HydrophobicContact CD2-CD1 4.45Å; F21-I381 HydrophobicContact CG-CD1 4.37Å; G34-I381 WeakPolarHBondContact O-CG1 3.45Å; I381-F386 HydrophobicContact CG2-CE2 3.59Å; I381-F386 HydrophobicContact CG2-CZ 3.75Å; I381-R400 HydrophobicContact CB-CB 4.46Å; I381-R400 PolarHBondContact N-O 3.29Å; I381-R400 PolarHBondContact O-N 2.79Å
382	P	95.6	Very high	85	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	136.4	173.8	27.7	-34.6	0	0	0	110	F21 D361 Y362 V365 S384 A385	F21-P382 HydrophobicContact CD2-CG 4.34Å; F21-P382 HydrophobicContact CE1-CG 4.39Å; F21-P382 HydrophobicContact CE2-CG 3.39Å; F21-P382 VanDerWaalsContact CZ-CD 3.44Å; F21-P382 HydrophobicContact CZ-CG 3.44Å; F21-P382 VanDerWaalsContact CZ-CG 3.44Å; D361-P382 HydrophobicContact CB-CB 3.88Å; D361-P382 VanDerWaalsContact CG-CB 3.43Å; D361-P382 VanDerWaalsContact OD2-C 3.32Å; D361-P382 WeakPolarHBondContact OD2-CA 3.48Å; D361-P382 VanDerWaalsContact OD2-CB 3.23Å; D361-P382 WeakPolarHBondContact OD2-CB 3.3Å; Y362-P382 HydrophobicContact CD1-CG 4.31Å; Y362-P382 HydrophobicContact CD2-CB 3.49Å; Y362-P382 VanDerWaalsContact CD2-CB 3.49Å; Y362-P382 HydrophobicContact CD2-CG 3.52Å; Y362-P382 HydrophobicContact CE1-CG 4.19Å; Y362-P382 HydrophobicContact CE2-CB 3.65Å; Y362-P382 HydrophobicContact CE2-CG 3.37Å; Y362-P382 HydrophobicContact CG-CB 4.21Å; Y362-P382 HydrophobicContact CG-CG 3.99Å; V365-P382 HydrophobicContact CG2-CB 4.29Å; P382-S384 VanDerWaalsContact C-N 3.33Å; P382-A385 HydrophobicContact CG-CB 4.26Å; P382-A385 VanDerWaalsContact O-CB 3.29Å; P382-A385 WeakPolarHBondContact O-CB 3.07Å; P382-A385 PolarHBondContact O-N 2.91Å
383	M	96.4	Very high	86.6	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-70.5	-31.2	-177.6	-176.4	71.6	175.1	0	0	112	P124 P186 T187 V341 D361 A385 F386 Y387 G395 F398	P124-M383 HydrophobicContact CB-CE 3.8Å; P124-M383 HydrophobicContact CG-CE 3.54Å; P186-M383 HydrophobicContact CB-CE 4.4Å; P186-M383 HydrophobicContact CB-SD 3.87Å; P186-M383 HydrophobicContact CG-CE 3.44Å; P186-M383 VanDerWaalsContact CG-CE 3.44Å; P186-M383 HydrophobicContact CG-SD 3.35Å; P186-M383 WeakPolarHBondContact CG-SD 3.29Å; T187-M383 HydrophobicContact CG2-CE 3.95Å; V341-M383 HydrophobicContact CG1-CE 4.24Å; V341-M383 HydrophobicContact CG1-CG 4.43Å; V341-M383 HydrophobicContact CG1-SD 4Å; V341-M383 HydrophobicContact CG2-CE 3.92Å; V341-M383 HydrophobicContact CG2-SD 3.71Å; D361-M383 PolarHBondContact OD2-N 3.17Å; M383-A385 PolarHBondContact O-N 3.38Å; M383-A385 VanDerWaalsContact O-N 3.08Å; M383-F386 WeakPolarHBondContact O-CB 3.21Å; M383-F386 WeakPolarHBondContact O-CD2 3.48Å; M383-F386 PolarHBondContact O-N 3.33Å; M383-F386 HydrophobicContact SD-CD2 4.32Å; M383-Y387 HydrophobicContact CE-CE2 4.12Å; M383-Y387 HydrophobicContact CG-CE2 4.09Å; M383-Y387 WeakPolarHBondContact O-CD2 3.29Å; M383-G395 WeakPolarHBondContact CB-O 3.49Å; M383-F398 HydrophobicContact CB-CB 3.63Å; M383-F398 WeakPolarHBondContact CB-O 3.41Å; M383-F398 HydrophobicContact CG-CB 3.79Å; M383-F398 PolarHBondContact N-O 3.41Å
384	S	95.9	Very high	88.3	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-64.3	-9.6	175.9	73.8	0	0	0	0	113.9	P359 D361 Y362 P382 F386 Y387	P359-S384 VanDerWaalsContact CB-OG 3.29Å; P359-S384 WeakPolarHBondContact CB-OG 3.43Å; D361-S384 WeakPolarHBondContact OD1-CB 3.43Å; D361-S384 PolarHBondContact OD1-OG 2.89Å; D361-S384 VanDerWaalsContact OD2-CB 3.22Å; D361-S384 WeakPolarHBondContact OD2-CB 3.32Å; D361-S384 PolarHBondContact OD2-N 3.17Å; D361-S384 PolarHBondContact OD2-OG 3.4Å; Y362-S384 WeakPolarHBondContact CD2-OG 3.35Å; Y362-S384 WeakPolarHBondContact CE2-OG 3.18Å; P382-S384 VanDerWaalsContact C-N 3.33Å; S384-F386 PolarHBondContact O-N 2.99Å; S384-Y387 PolarHBondContact O-N 2.97Å
385	A	95	Very high	90.2	Very high	13 Å²	13	38.9 Å²	38.9	11%	0.107	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-67.8	-20.2	167.7	0	0	0	0	0	113.7	V17 Y362 P382 M383	V17-A385 HydrophobicContact CB-CB 4.48Å; V17-A385 HydrophobicContact CG1-CB 4.44Å; V17-A385 HydrophobicContact CG2-CB 3.76Å; Y362-A385 HydrophobicContact CE2-CB 4.38Å; Y362-A385 WeakPolarHBondContact OH-CB 3.49Å; P382-A385 HydrophobicContact CG-CB 4.26Å; P382-A385 VanDerWaalsContact O-CB 3.29Å; P382-A385 WeakPolarHBondContact O-CB 3.07Å; P382-A385 PolarHBondContact O-N 2.91Å; M383-A385 PolarHBondContact O-N 3.38Å; M383-A385 VanDerWaalsContact O-N 3.08Å
386	F	97.1	Very high	92.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-101.6	14.2	-179	-56.3	-73.2	0	0	0	112.5	W18 P124 Y125 P186 I381 M383 S384	W18-F386 HydrophobicContact CH2-CE1 4.27Å; W18-F386 AromaticContact CH2-CZ 3.94Å; W18-F386 HydrophobicContact CH2-CZ 3.94Å; W18-F386 HydrophobicContact CZ2-CE1 4.07Å; W18-F386 HydrophobicContact CZ2-CZ 4.19Å; P124-F386 CarbonylContact C-O 3.57Å; P124-F386 VanDerWaalsContact CA-O 3.23Å; P124-F386 WeakPolarHBondContact CA-O 3.4Å; P124-F386 HydrophobicContact CB-CB 3.84Å; Y125-F386 VanDerWaalsContact CD1-O 3.31Å; Y125-F386 WeakPolarHBondContact CD1-O 3.24Å; Y125-F386 WeakPolarHBondContact CE1-O 3.21Å; Y125-F386 PolarHBondContact N-O 3.42Å; Y125-F386 VanDerWaalsContact O-CB 3.31Å; Y125-F386 WeakPolarHBondContact O-CB 3.47Å; Y125-F386 WeakPolarHBondContact O-CD1 3.25Å; P186-F386 HydrophobicContact CB-CD2 3.9Å; P186-F386 HydrophobicContact CB-CE2 3.99Å; P186-F386 HydrophobicContact CB-CG 4.29Å; P186-F386 HydrophobicContact CB-CZ 4.46Å; P186-F386 HydrophobicContact CG-CB 3.97Å; P186-F386 HydrophobicContact CG-CD1 4.46Å; P186-F386 HydrophobicContact CG-CD2 3.66Å; P186-F386 HydrophobicContact CG-CE2 4.27Å; P186-F386 HydrophobicContact CG-CG 3.77Å; I381-F386 HydrophobicContact CG2-CE2 3.59Å; I381-F386 HydrophobicContact CG2-CZ 3.75Å; M383-F386 WeakPolarHBondContact O-CB 3.21Å; M383-F386 WeakPolarHBondContact O-CD2 3.48Å; M383-F386 PolarHBondContact O-N 3.33Å; M383-F386 HydrophobicContact SD-CD2 4.32Å; S384-F386 PolarHBondContact O-N 2.99Å
387	Y	97.6	Very high	93.8	Very high	8 Å²	8	36.5 Å²	36.5	3%	0.031	17%	0.171	C	C	.	.	S	Bend	trans	-123	150.5	177.2	-75.4	-90.8	0	0	0	110.2	E123 P124 M383 S384 H391 L394	E123-Y387 HydrophobicContact CB-CD1 3.68Å; E123-Y387 HydrophobicContact CB-CE1 3.74Å; E123-Y387 HydrophobicContact CG-CD1 4.06Å; P124-Y387 HydrophobicContact CB-CD2 4.21Å; P124-Y387 HydrophobicContact CB-CE1 4.43Å; P124-Y387 HydrophobicContact CB-CE2 3.72Å; P124-Y387 HydrophobicContact CG-CE2 4.43Å; M383-Y387 HydrophobicContact CE-CE2 4.12Å; M383-Y387 HydrophobicContact CG-CE2 4.09Å; M383-Y387 WeakPolarHBondContact O-CD2 3.29Å; S384-Y387 PolarHBondContact O-N 2.97Å; Y387-H391 HydrophobicContact CD1-CB 4.05Å; Y387-L394 HydrophobicContact CD1-CB 4.2Å; Y387-L394 HydrophobicContact CD1-CD1 4.48Å; Y387-L394 HydrophobicContact CE1-CB 3.76Å; Y387-L394 HydrophobicContact CE1-CD1 4.1Å
388	S	96.2	Very high	94.6	Very high	4 Å²	4	35 Å²	35	3%	0.028	16%	0.164	C	C	.	.			trans	-62.8	160.5	170.3	67.1	0	0	0	0	110.7	E123 Y125 F142 D390 H391 K392	E123-S388 WeakPolarHBondContact OE1-CA 3.46Å; E123-S388 WeakPolarHBondContact OE1-CB 3.37Å; E123-S388 PolarHBondContact OE1-N 3.12Å; E123-S388 PolarHBondContact OE1-OG 3.02Å; Y125-S388 WeakPolarHBondContact OH-CA 3.03Å; Y125-S388 PolarHBondContact OH-N 3.04Å; F142-S388 VanDerWaalsContact CD2-CB 3.41Å; S388-D390 PolarHBondContact O-N 3.11Å; S388-D390 VanDerWaalsContact O-N 3.14Å; S388-H391 CarbonylContact O-C 3.57Å; S388-H391 PolarHBondContact O-N 2.93Å; S388-K392 VanDerWaalsContact O-CG 3.28Å; S388-K392 WeakPolarHBondContact O-CG 3.1Å; S388-K392 PolarHBondContact O-N 3.49Å
389	K	93.4	Very high	95.1	Very high	178 Å²	178	34.8 Å²	34.8	77%	0.774	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-50.1	-43.1	-178.8	-172.9	-179.7	178.2	-178.2	0	112.7	H391	K389-H391 VanDerWaalsContact C-N 3.31Å; K389-H391 PolarHBondContact O-N 3.06Å
390	D	95	Very high	95.6	Very high	129 Å²	129	34.8 Å²	34.8	69%	0.69	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-77.6	-19.1	-174.3	-60.4	-27.9	0	0	0	112.6	S388 Y393	S388-D390 PolarHBondContact O-N 3.11Å; S388-D390 VanDerWaalsContact O-N 3.14Å; D390-Y393 VanDerWaalsContact O-CD1 3.31Å; D390-Y393 WeakPolarHBondContact O-CD1 3.39Å; D390-Y393 VanDerWaalsContact O-CE1 3.23Å; D390-Y393 WeakPolarHBondContact O-CE1 3.33Å
391	H	97	Very high	95.7	Very high	40 Å²	40	34.7 Å²	34.7	19%	0.185	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-111.4	7.1	-177.7	-64.8	162.6	0	0	0	114	E123 Y387 S388 K389 Y393 L394	E123-H391 IonicContact OE1-ND1 3.12Å; E123-H391 IonicContact OE2-CE1 3.38Å; E123-H391 IonicContact OE2-CG 2.71Å; E123-H391 IonicContact OE2-ND1 2.74Å; E123-H391 PolarHBondContact OE2-ND1 3.04Å; Y387-H391 HydrophobicContact CD1-CB 4.05Å; S388-H391 CarbonylContact O-C 3.57Å; S388-H391 PolarHBondContact O-N 2.93Å; K389-H391 VanDerWaalsContact C-N 3.31Å; K389-H391 PolarHBondContact O-N 3.06Å; H391-Y393 PolarHBondContact O-N 3.28Å; H391-Y393 VanDerWaalsContact O-N 3.08Å; H391-L394 HydrophobicContact CB-CD1 4.07Å; H391-L394 WeakPolarHBondContact O-CB 3.4Å; H391-L394 PolarHBondContact O-N 3.42Å
392	K	95.6	Very high	95.7	Very high	59 Å²	59	34.6 Å²	34.6	26%	0.257	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-53.7	-31.9	177.9	-72	-154.2	176.6	-172.4	0	113.6	P359 S388 L394 G395 E396	P359-K392 HydrophobicContact CG-CB 4.17Å; P359-K392 HydrophobicContact CG-CD 3.45Å; P359-K392 VanDerWaalsContact CG-CD 3.45Å; P359-K392 HydrophobicContact CG-CG 4.45Å; S388-K392 VanDerWaalsContact O-CG 3.28Å; S388-K392 WeakPolarHBondContact O-CG 3.1Å; S388-K392 PolarHBondContact O-N 3.49Å; K392-L394 PolarHBondContact O-N 2.8Å; K392-L394 VanDerWaalsContact O-N 3.17Å; K392-G395 PolarHBondContact O-N 3.09Å; K392-E396 PolarHBondContact O-N 3.47Å
393	Y	95	Very high	95.5	Very high	127 Å²	127	35 Å²	35	50%	0.498	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-60.4	-21.7	176.5	75.8	-88.8	0	0	0	113.7	D390 H391 G395	D390-Y393 VanDerWaalsContact O-CD1 3.31Å; D390-Y393 WeakPolarHBondContact O-CD1 3.39Å; D390-Y393 VanDerWaalsContact O-CE1 3.23Å; D390-Y393 WeakPolarHBondContact O-CE1 3.33Å; H391-Y393 PolarHBondContact O-N 3.28Å; H391-Y393 VanDerWaalsContact O-N 3.08Å; Y393-G395 VanDerWaalsContact C-N 3.32Å
394	L	95.9	Very high	95.1	Very high	42 Å²	42	35.1 Å²	35.1	22%	0.22	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-75.1	-24.3	174.8	-62.7	177.1	0	0	0	112.5	P144 Y387 H391 K392	P144-L394 HydrophobicContact CB-CD1 3.58Å; P144-L394 HydrophobicContact CG-CD1 4.03Å; Y387-L394 HydrophobicContact CD1-CB 4.2Å; Y387-L394 HydrophobicContact CD1-CD1 4.48Å; Y387-L394 HydrophobicContact CE1-CB 3.76Å; Y387-L394 HydrophobicContact CE1-CD1 4.1Å; H391-L394 HydrophobicContact CB-CD1 4.07Å; H391-L394 WeakPolarHBondContact O-CB 3.4Å; H391-L394 PolarHBondContact O-N 3.42Å; K392-L394 PolarHBondContact O-N 2.8Å; K392-L394 VanDerWaalsContact O-N 3.17Å
395	G	95.7	Very high	94.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-15.2	-178.9	0	0	0	0	0	114.1	M383 K392 Y393 D397 F398	M383-G395 WeakPolarHBondContact CB-O 3.49Å; K392-G395 PolarHBondContact O-N 3.09Å; Y393-G395 VanDerWaalsContact C-N 3.32Å; G395-D397 PolarHBondContact O-N 3.21Å; G395-F398 PolarHBondContact O-N 3.23Å
396	E	95.1	Very high	93.1	Very high	65 Å²	65	38.3 Å²	38.3	30%	0.304	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.5	-167.8	72.7	-177.1	-175.2	0	0	115	Y344 P359 A360 D361 K392	Y344-E396 WeakPolarHBondContact CE1-O 3.47Å; Y344-E396 PolarHBondContact OH-O 2.83Å; P359-E396 HydrophobicContact CB-CB 4.16Å; A360-E396 HydrophobicContact CB-CB 4.46Å; D361-E396 VanDerWaalsContact CB-O 3.29Å; D361-E396 WeakPolarHBondContact CB-O 3.42Å; D361-E396 PolarHBondContact N-O 2.85Å; K392-E396 PolarHBondContact O-N 3.47Å
397	D	94.9	Very high	90.9	Very high	39 Å²	39	42.7 Å²	42.7	21%	0.209	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	2.7	178	-70.3	-5.9	0	0	0	113.6	D343 Y344 K348 G395	D343-D397 WeakPolarHBondContact CA-O 3.33Å; Y344-D397 VanDerWaalsContact CD1-C 3.46Å; Y344-D397 WeakPolarHBondContact CD1-O 3.48Å; Y344-D397 WeakPolarHBondContact CE1-O 3.42Å; Y344-D397 PolarHBondContact N-O 3.25Å; K348-D397 VanDerWaalsContact CE-CG 3.45Å; K348-D397 WeakPolarHBondContact CE-OD1 3.33Å; K348-D397 IonicContact NZ-OD1 3.18Å; K348-D397 PolarHBondContact NZ-OD1 3.43Å; K348-D397 IonicContact NZ-OD2 3.66Å; K348-D397 PolarHBondContact NZ-OD2 2.96Å; G395-D397 PolarHBondContact O-N 3.21Å
398	F	96.9	Very high	88.2	Confident	21 Å²	21	44.3 Å²	44.3	9%	0.092	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	150.4	-173.9	-63.8	-87.5	0	0	0	112.1	L147 V332 V341 A342 D343 D361 M383 G395	L147-F398 HydrophobicContact CD2-CE1 3.9Å; L147-F398 HydrophobicContact CD2-CE2 4.5Å; L147-F398 HydrophobicContact CD2-CZ 3.61Å; V332-F398 HydrophobicContact CG2-CE1 4.41Å; V341-F398 HydrophobicContact CG1-CB 3.65Å; V341-F398 HydrophobicContact CG1-CD1 3.68Å; V341-F398 HydrophobicContact CG1-CG 3.96Å; A342-F398 WeakPolarHBondContact O-CA 3.23Å; D343-F398 HydrophobicContact CB-CD1 3.92Å; D343-F398 HydrophobicContact CB-CE1 3.6Å; D343-F398 HydrophobicContact CB-CZ 4.31Å; D361-F398 WeakPolarHBondContact CB-O 3.28Å; M383-F398 HydrophobicContact CB-CB 3.63Å; M383-F398 WeakPolarHBondContact CB-O 3.41Å; M383-F398 HydrophobicContact CG-CB 3.79Å; M383-F398 PolarHBondContact N-O 3.41Å; G395-F398 PolarHBondContact O-N 3.23Å
399	V	96.3	Very high	84.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	151.4	170.2	-71.8	0	0	0	0	110.4	F329 V341 A342 Y344 D361 F364 V365 L380 F401	F329-V399 HydrophobicContact CD1-CG2 4.42Å; F329-V399 HydrophobicContact CE1-CG2 4.02Å; V341-V399 WeakPolarHBondContact CA-O 3.19Å; A342-V399 PolarHBondContact N-O 3.35Å; A342-V399 PolarHBondContact O-N 3.31Å; Y344-V399 HydrophobicContact CD1-CG1 3.93Å; Y344-V399 HydrophobicContact CD1-CG2 4.29Å; Y344-V399 HydrophobicContact CE1-CG1 4.12Å; D361-V399 HydrophobicContact CB-CG1 4.41Å; F364-V399 HydrophobicContact CD1-CG1 3.92Å; F364-V399 HydrophobicContact CE1-CG1 4.39Å; V365-V399 HydrophobicContact CG2-CG1 3.6Å; L380-V399 HydrophobicContact CD1-CB 4.2Å; L380-V399 HydrophobicContact CD1-CG2 3.96Å; V399-F401 HydrophobicContact CG2-CD2 4.44Å; V399-F401 HydrophobicContact CG2-CE2 3.62Å; V399-F401 HydrophobicContact CG2-CZ 4.19Å
400	R	97.1	Very high	81.6	Confident	1 Å²	1	47.4 Å²	47.4	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	126.5	-179.2	-167.5	-163	76.5	-179	-2.8	111.6	G34 N185 P186 F339 I381	G34-R400 PolarHBondContact O-NH2 2.96Å; N185-R400 PolarHBondContact OD1-NH1 3.36Å; P186-R400 HydrophobicContact CB-CG 3.93Å; F339-R400 HydrophobicContact CB-CG 3.97Å; F339-R400 HydrophobicContact CD1-CG 4.32Å; F339-R400 VanDerWaalsContact CE1-CZ 3.46Å; F339-R400 HydrophobicContact CG-CG 4.3Å; I381-R400 HydrophobicContact CB-CB 4.46Å; I381-R400 PolarHBondContact N-O 3.29Å; I381-R400 PolarHBondContact O-N 2.79Å
401	F	94.5	Very high	78.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	152	171.7	-64.1	-100.4	0	0	0	111.1	L33 L320 L324 F329 F339 M340 A342 L380 V399	L33-F401 HydrophobicContact CB-CD1 4.28Å; L33-F401 HydrophobicContact CD1-CD1 4.18Å; L33-F401 CarbonylContact O-C 3.4Å; L33-F401 WeakPolarHBondContact O-CA 3.27Å; L320-F401 HydrophobicContact CD2-CB 3.77Å; L320-F401 HydrophobicContact CD2-CG 4.45Å; L324-F401 HydrophobicContact CD1-CD2 4.15Å; L324-F401 HydrophobicContact CD1-CE2 4.27Å; L324-F401 HydrophobicContact CD1-CG 4.48Å; L324-F401 HydrophobicContact CD2-CD1 4.25Å; L324-F401 HydrophobicContact CD2-CD2 4.24Å; L324-F401 HydrophobicContact CD2-CE1 3.7Å; L324-F401 HydrophobicContact CD2-CE2 3.68Å; L324-F401 HydrophobicContact CD2-CZ 3.39Å; F329-F401 HydrophobicContact CD1-CE2 4.45Å; F329-F401 HydrophobicContact CD1-CZ 4.44Å; F329-F401 HydrophobicContact CE1-CE2 4.46Å; F329-F401 HydrophobicContact CE1-CZ 4.15Å; F329-F401 HydrophobicContact CZ-CZ 4.28Å; F339-F401 CarbonylContact C-O 3.53Å; F339-F401 WeakPolarHBondContact CA-O 3.33Å; M340-F401 PolarHBondContact N-O 3.46Å; M340-F401 PolarHBondContact O-N 3.38Å; A342-F401 HydrophobicContact CB-CD2 4.22Å; A342-F401 HydrophobicContact CB-CE2 3.87Å; L380-F401 HydrophobicContact CD1-CD1 4.28Å; L380-F401 HydrophobicContact CD1-CE1 3.55Å; L380-F401 HydrophobicContact CD1-CE2 3.96Å; L380-F401 HydrophobicContact CD1-CZ 3.35Å; L380-F401 HydrophobicContact CD2-CD1 3.33Å; L380-F401 HydrophobicContact CD2-CE1 3.35Å; L380-F401 HydrophobicContact CD2-CG 3.97Å; L380-F401 HydrophobicContact CD2-CZ 4Å; L380-F401 HydrophobicContact CG-CD1 4.46Å; L380-F401 HydrophobicContact CG-CE1 4.09Å; L380-F401 HydrophobicContact CG-CZ 4.35Å; V399-F401 HydrophobicContact CG2-CD2 4.44Å; V399-F401 HydrophobicContact CG2-CE2 3.62Å; V399-F401 HydrophobicContact CG2-CZ 4.19Å
402	C	93.3	Very high	74.7	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.007	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.5	171.6	178.3	0	0	0	0	108.1	L33 Q35 Y338 F339	L33-C402 VanDerWaalsContact O-CB 3.29Å; L33-C402 WeakPolarHBondContact O-CB 3.19Å; L33-C402 PolarHBondContact O-N 3.32Å; Q35-C402 PolarHBondContact O-SG 2.82Å; Y338-C402 WeakPolarHBondContact O-CA 3.29Å; F339-C402 HydrophobicContact CD1-CB 3.92Å; F339-C402 HydrophobicContact CE1-CB 3.97Å
403	F	91.3	Very high	71.3	Confident	7 Å²	7	56 Å²	56	3%	0.031	30%	0.301	C	S	.	.			trans	-103.4	7	178.9	58.6	-96.5	0	0	0	113.2	Y221 L313 K316 R317 L320 P334 Y338 M340 K405	Y221-F403 HydrophobicContact CE2-CE2 4.49Å; Y221-F403 AromaticContact CE2-CZ 3.92Å; Y221-F403 HydrophobicContact CE2-CZ 3.92Å; Y221-F403 AromaticContact CZ-CE2 3.91Å; Y221-F403 AromaticContact CZ-CZ 3.79Å; Y221-F403 WeakPolarHBondContact OH-CE2 3.38Å; Y221-F403 WeakPolarHBondContact OH-CZ 3.03Å; L313-F403 HydrophobicContact CB-CE2 4.17Å; L313-F403 HydrophobicContact CD2-CD2 4.38Å; K316-F403 HydrophobicContact CB-CD2 4.39Å; R317-F403 HydrophobicContact CB-CD2 4.11Å; R317-F403 HydrophobicContact CB-CE1 4.23Å; R317-F403 HydrophobicContact CB-CE2 3.73Å; R317-F403 HydrophobicContact CB-CG 4.49Å; R317-F403 HydrophobicContact CB-CZ 3.78Å; R317-F403 HydrophobicContact CG-CE1 4.15Å; R317-F403 HydrophobicContact CG-CE2 4.44Å; R317-F403 HydrophobicContact CG-CZ 3.97Å; L320-F403 HydrophobicContact CB-CB 4.37Å; L320-F403 HydrophobicContact CD2-CB 3.77Å; L320-F403 HydrophobicContact CD2-CD1 4.3Å; P334-F403 HydrophobicContact CG-CE1 3.86Å; P334-F403 HydrophobicContact CG-CZ 4.23Å; Y338-F403 VanDerWaalsContact O-CD1 3.28Å; Y338-F403 WeakPolarHBondContact O-CD1 3.49Å; Y338-F403 WeakPolarHBondContact O-CE1 3.25Å; Y338-F403 PolarHBondContact O-N 2.86Å; Y338-F403 VanDerWaalsContact O-N 3.08Å; M340-F403 HydrophobicContact CB-CD1 4.27Å; M340-F403 HydrophobicContact CB-CE1 4.44Å; F403-K405 PolarHBondContact O-N 3.4Å
404	F	89.4	Confident	68	Low	4 Å²	4	55.4 Å²	55.4	2%	0.018	32%	0.316	C	S	.	.			trans	-78.5	62.6	173	-157.8	-179.4	0	0	0	112.2	T38 F40 S250 M309 L313 Y338	T38-F404 HydrophobicContact CG2-CD1 3.26Å; T38-F404 HydrophobicContact CG2-CD2 3.74Å; T38-F404 HydrophobicContact CG2-CE1 3.3Å; T38-F404 HydrophobicContact CG2-CE2 3.82Å; T38-F404 HydrophobicContact CG2-CG 3.56Å; T38-F404 HydrophobicContact CG2-CZ 3.59Å; F40-F404 AromaticContact CE1-CD2 3.8Å; F40-F404 HydrophobicContact CE1-CD2 3.8Å; F40-F404 AromaticContact CE1-CE2 3.99Å; F40-F404 HydrophobicContact CE1-CE2 3.99Å; F40-F404 HydrophobicContact CE2-CE2 4.4Å; F40-F404 AromaticContact CZ-CD2 3.66Å; F40-F404 HydrophobicContact CZ-CD2 3.66Å; F40-F404 AromaticContact CZ-CE2 3.35Å; F40-F404 HydrophobicContact CZ-CE2 3.35Å; F40-F404 HydrophobicContact CZ-CZ 4.03Å; S250-F404 WeakPolarHBondContact OG-CE1 3.18Å; S250-F404 WeakPolarHBondContact OG-CZ 3.42Å; M309-F404 HydrophobicContact CE-CE1 4.35Å; M309-F404 HydrophobicContact CE-CE2 3.44Å; M309-F404 VanDerWaalsContact CE-CE2 3.44Å; M309-F404 HydrophobicContact CE-CZ 3.24Å; L313-F404 HydrophobicContact CD1-CD2 4.25Å; L313-F404 HydrophobicContact CD1-CE1 4.49Å; L313-F404 HydrophobicContact CD1-CE2 4.08Å; L313-F404 HydrophobicContact CD1-CG 4.43Å; L313-F404 HydrophobicContact CD1-CZ 4.23Å; L313-F404 HydrophobicContact CD2-CB 4.25Å; L313-F404 HydrophobicContact CD2-CD2 3.3Å; L313-F404 HydrophobicContact CD2-CE2 3.61Å; L313-F404 HydrophobicContact CD2-CG 3.9Å; L313-F404 HydrophobicContact CG-CD2 4.28Å; L313-F404 HydrophobicContact CG-CE2 4.17Å; Y338-F404 HydrophobicContact CD2-CB 3.67Å; Y338-F404 AromaticContact CD2-CD1 3.19Å; Y338-F404 HydrophobicContact CD2-CD1 3.19Å; Y338-F404 HydrophobicContact CD2-CE1 4.03Å; Y338-F404 AromaticContact CD2-CG 3.82Å; Y338-F404 HydrophobicContact CD2-CG 3.82Å; Y338-F404 HydrophobicContact CE2-CB 4.33Å; Y338-F404 AromaticContact CE2-CD1 3.46Å; Y338-F404 HydrophobicContact CE2-CD1 3.46Å; Y338-F404 VanDerWaalsContact CE2-CD1 3.46Å; Y338-F404 HydrophobicContact CE2-CE1 4.19Å; Y338-F404 HydrophobicContact CE2-CG 4.38Å; Y338-F404 HydrophobicContact CG-CB 3.99Å; Y338-F404 HydrophobicContact CG-CD1 4.29Å
405	K	79.9	Confident	64.8	Low	21 Å²	21	60.8 Å²	60.8	9%	0.091	35%	0.345	C	S	.	.			trans	-120.1	159.4	-171	-62.1	-58.8	-171.3	172.2	0	111.1	N32 L33 D39 K316 F403 M407	N32-K405 WeakPolarHBondContact O-CE 3.42Å; N32-K405 PolarHBondContact O-NZ 3.45Å; L33-K405 HydrophobicContact CD2-CD 4.49Å; L33-K405 HydrophobicContact CD2-CG 3.97Å; D39-K405 WeakPolarHBondContact OD1-CD 3.39Å; D39-K405 IonicContact OD1-NZ 3.67Å; D39-K405 WeakPolarHBondContact OD2-CD 3.09Å; D39-K405 IonicContact OD2-NZ 2.91Å; D39-K405 PolarHBondContact OD2-NZ 3.29Å; K316-K405 PolarHBondContact NZ-O 2.85Å; F403-K405 PolarHBondContact O-N 3.4Å; K405-M407 PolarHBondContact O-N 2.86Å
406	P	67.3	Low	61.6	Low	58 Å²	58	66.9 Å²	66.9	38%	0.377	39%	0.388	S	S	.	.			trans	-67.8	134.2	-177.5	-1.6	22.1	0	0	0	107.3	D39 F40	D39-P406 WeakPolarHBondContact OD1-CD 3.4Å; D39-P406 WeakPolarHBondContact OD1-CG 3.32Å; F40-P406 HydrophobicContact CB-CB 4.18Å; F40-P406 HydrophobicContact CB-CG 4.17Å; F40-P406 HydrophobicContact CD1-CB 4.17Å; F40-P406 HydrophobicContact CD1-CG 4.03Å; F40-P406 HydrophobicContact CG-CB 4.45Å
407	M	50.8	Low	58.6	Low	93 Å²	93	65.3 Å²	65.3	46%	0.458	39%	0.389	S	S	.	.			trans	-87.8	101.2	153	-74.3	-158.6	-49.4	0	0	103	K316 K405 I409 L419	K316-M407 HydrophobicContact CD-CG 4.08Å; K316-M407 HydrophobicContact CG-CG 4.09Å; K316-M407 HydrophobicContact CG-SD 4.09Å; K405-M407 PolarHBondContact O-N 2.86Å; M407-I409 PolarHBondContact O-N 3.5Å; M407-L419 HydrophobicContact CB-CD2 3.88Å; M407-L419 HydrophobicContact CG-CD2 4.47Å
408	S	41.5	Very low	55.7	Low	41 Å²	41	65.7 Å²	65.7	29%	0.287	40%	0.402	S	S	.	.			trans	-55.9	109.9	-171.7	55.7	0	0	0	0	111.1	L419	S408-L419 WeakPolarHBondContact OG-CA 3.29Å; S408-L419 WeakPolarHBondContact OG-CB 3.25Å; S408-L419 PolarHBondContact OG-N 3.29Å; S408-L419 VanDerWaalsContact OG-N 3.16Å
409	I	26.2	Very low	52.9	Low	142 Å²	142	67.5 Å²	67.5	73%	0.728	41%	0.412	S	S	*	.			trans	-113.9	100.5	150.7	-57.8	174.1	0	0	0	105.5	M407 Q411	M407-I409 PolarHBondContact O-N 3.5Å; I409-Q411 HydrophobicContact CG2-CG 3.87Å
410	P	24.3	Very low	50.2	Low	105 Å²	105	74.4 Å²	74.4	68%	0.682	45%	0.445	S	S	*	.			trans	-89.2	100	153.4	3.7	16.3	0	0	0	107	V412	P410-V412 PolarHBondContact O-N 2.95Å
411	Q	23.3	Very low	47.6	Very low	177 Å²	177	77.8 Å²	77.8	83%	0.827	47%	0.466	S	S	*	.			trans	-74.4	80.4	158.5	-81.6	-170	-14.6	0	0	108.3	I409	I409-Q411 HydrophobicContact CG2-CG 3.87Å
412	V	24.2	Very low	45.1	Very low	127 Å²	127	82.9 Å²	82.9	77%	0.77	49%	0.493	S	S	*	.	S	Bend	trans	-160.6	127.4	143.1	179.3	0	0	0	0	106.8	P410	P410-V412 PolarHBondContact O-N 2.95Å
413	S	25.3	Very low	42.9	Very low	104 Å²	104	84.7 Å²	84.7	73%	0.727	50%	0.504	S	S	*	.	S	Bend	trans	77.6	122.4	-177.5	76	0	0	0	0	116	D415	S413-D415 PolarHBondContact O-N 3.35Å
414	S	25.4	Very low	40.9	Very low	115 Å²	115	89.7 Å²	89.7	80%	0.804	53%	0.525	S	S	*	.	S	Bend	trans	-59.1	90.7	170.4	49.1	0	0	0	0	110.1
415	D	29	Very low	39.1	Very low	155 Å²	155	91.2 Å²	91.2	83%	0.829	54%	0.535	S	S	*	.			trans	-162.3	97.9	151.5	-89.2	-27.4	0	0	0	108	S413 G417	S413-D415 PolarHBondContact O-N 3.35Å; D415-G417 PolarHBondContact O-N 2.84Å; D415-G417 VanDerWaalsContact O-N 3.1Å
416	S	28.1	Very low	38	Very low	128 Å²	128	91.2 Å²	91.2	90%	0.895	54%	0.535	S	S	*	.			trans	-71.6	93.2	175.4	45.7	0	0	0	0	109.7
417	G	32.2	Very low	37.5	Very low	33 Å²	33	90.6 Å²	90.6	34%	0.34	53%	0.527	S	S	.	.			trans	-141.4	-32.8	178.9	0	0	0	0	0	116.2	D415 L419 T421	D415-G417 PolarHBondContact O-N 2.84Å; D415-G417 VanDerWaalsContact O-N 3.1Å; G417-L419 PolarHBondContact O-N 3.11Å; G417-T421 WeakPolarHBondContact O-CB 3.47Å; G417-T421 PolarHBondContact O-N 3.39Å; G417-T421 PolarHBondContact O-OG1 3.36Å
418	G	32.3	Very low	37.6	Very low	46 Å²	46	90.5 Å²	90.5	47%	0.474	53%	0.525	S	S	.	.	H	α-helix	trans	-63.5	-48.4	-165.6	0	0	0	0	0	116.9	T421 D422	G418-T421 WeakPolarHBondContact O-CB 3.21Å; G418-T421 PolarHBondContact O-N 3.44Å; G418-D422 PolarHBondContact O-N 3.21Å
419	L	38.7	Very low	38.5	Very low	59 Å²	59	89.8 Å²	89.8	31%	0.309	52%	0.517	S	S	.	.	H	α-helix	trans	-74.3	-44.1	-173.1	-167.2	49.6	0	0	0	113.1	M407 S408 G417 T421 D422 V423	M407-L419 HydrophobicContact CB-CD2 3.88Å; M407-L419 HydrophobicContact CG-CD2 4.47Å; S408-L419 WeakPolarHBondContact OG-CA 3.29Å; S408-L419 WeakPolarHBondContact OG-CB 3.25Å; S408-L419 PolarHBondContact OG-N 3.29Å; S408-L419 VanDerWaalsContact OG-N 3.16Å; G417-L419 PolarHBondContact O-N 3.11Å; L419-T421 PolarHBondContact O-N 3.05Å; L419-D422 PolarHBondContact O-N 3.01Å; L419-V423 HydrophobicContact CD1-CG2 4.38Å; L419-V423 PolarHBondContact O-N 3.43Å
420	E	40.5	Very low	39.9	Very low	145 Å²	145	83.4 Å²	83.4	68%	0.678	48%	0.484	S	S	*	.	H	α-helix	trans	-56.9	-43.1	171.8	-87.5	-174.6	169.2	0	0	107.5	D422 K424	E420-D422 PolarHBondContact O-N 3.21Å; E420-K424 VanDerWaalsContact O-CA 3.28Å; E420-K424 WeakPolarHBondContact O-CA 3.49Å; E420-K424 WeakPolarHBondContact O-CB 3.3Å; E420-K424 PolarHBondContact O-N 3.36Å
421	T	41.4	Very low	41.5	Very low	73 Å²	73	82.1 Å²	82.1	45%	0.448	47%	0.469	S	S	.	.	H	α-helix	trans	-58.6	-50.6	179.9	-51.4	0	0	0	0	112.6	G417 G418 L419 T425	G417-T421 WeakPolarHBondContact O-CB 3.47Å; G417-T421 PolarHBondContact O-N 3.39Å; G417-T421 PolarHBondContact O-OG1 3.36Å; G418-T421 WeakPolarHBondContact O-CB 3.21Å; G418-T421 PolarHBondContact O-N 3.44Å; L419-T421 PolarHBondContact O-N 3.05Å; T421-T425 WeakPolarHBondContact O-CA 3.45Å; T421-T425 WeakPolarHBondContact O-CB 3.22Å; T421-T425 PolarHBondContact O-N 2.89Å; T421-T425 PolarHBondContact O-OG1 3.33Å
422	D	42.3	Very low	43.3	Very low	107 Å²	107	78.1 Å²	78.1	57%	0.572	45%	0.451	S	S	*	.	H	α-helix	trans	-71.4	-43.5	-175.6	-71.7	-20.3	0	0	0	114	G418 L419 E420 T425 F426	G418-D422 PolarHBondContact O-N 3.21Å; L419-D422 PolarHBondContact O-N 3.01Å; E420-D422 PolarHBondContact O-N 3.21Å; D422-T425 PolarHBondContact O-N 3.07Å; D422-F426 WeakPolarHBondContact O-CB 3.29Å; D422-F426 PolarHBondContact O-N 3.41Å
423	V	46.9	Very low	45	Very low	39 Å²	39	73.4 Å²	73.4	24%	0.236	42%	0.419	C	S	.	.	H	α-helix	trans	-71.9	-41.3	178	172.4	0	0	0	0	111	I323 L419 T425 F426 K427	I323-V423 HydrophobicContact CD1-CG1 3.82Å; L419-V423 HydrophobicContact CD1-CG2 4.38Å; L419-V423 PolarHBondContact O-N 3.43Å; V423-T425 VanDerWaalsContact C-N 3.34Å; V423-F426 PolarHBondContact O-N 2.71Å; V423-K427 HydrophobicContact CG1-CD 4.43Å; V423-K427 HydrophobicContact CG1-CG 4.42Å; V423-K427 WeakPolarHBondContact O-CB 3.49Å; V423-K427 WeakPolarHBondContact O-CG 3.1Å; V423-K427 PolarHBondContact O-N 2.85Å
424	K	49.4	Very low	46.6	Very low	111 Å²	111	71.5 Å²	71.5	48%	0.483	40%	0.4	S	S	.	.	H	α-helix	trans	-65.6	-38.9	173.1	-175.3	-179.4	168	-178.9	0	110.5	E420 F426 K427 E428	E420-K424 VanDerWaalsContact O-CA 3.28Å; E420-K424 WeakPolarHBondContact O-CA 3.49Å; E420-K424 WeakPolarHBondContact O-CB 3.3Å; E420-K424 PolarHBondContact O-N 3.36Å; K424-F426 VanDerWaalsContact C-N 3.35Å; K424-K427 PolarHBondContact O-N 3.33Å; K424-E428 WeakPolarHBondContact CE-OE1 3.4Å; K424-E428 HydrophobicContact CG-CG 3.97Å; K424-E428 WeakPolarHBondContact CG-OE1 3.46Å; K424-E428 WeakPolarHBondContact O-CA 3.5Å; K424-E428 WeakPolarHBondContact O-CB 3.34Å; K424-E428 WeakPolarHBondContact O-CG 3.19Å; K424-E428 PolarHBondContact O-N 3.42Å
425	T	52.7	Low	48.5	Very low	37 Å²	37	73.6 Å²	73.6	23%	0.227	39%	0.391	C	S	.	.	H	α-helix	trans	-65.4	-41.2	177	-65.8	0	0	0	0	110.4	H376 T421 D422 V423 F429	H376-T425 WeakPolarHBondContact CE1-CG2 3.23Å; H376-T425 WeakPolarHBondContact NE2-CG2 3.3Å; T421-T425 WeakPolarHBondContact O-CA 3.45Å; T421-T425 WeakPolarHBondContact O-CB 3.22Å; T421-T425 PolarHBondContact O-N 2.89Å; T421-T425 PolarHBondContact O-OG1 3.33Å; D422-T425 PolarHBondContact O-N 3.07Å; V423-T425 VanDerWaalsContact C-N 3.34Å; T425-F429 WeakPolarHBondContact O-CB 3.08Å; T425-F429 PolarHBondContact O-N 3.45Å
426	F	56.5	Low	50.2	Low	20 Å²	20	66.8 Å²	66.8	9%	0.088	36%	0.355	C	S	.	.	H	α-helix	trans	-69.1	-42.6	174.6	-173	-137.7	0	0	0	112.3	I323 L378 D422 V423 K424 F429 L430	I323-F426 HydrophobicContact CB-CE1 4.45Å; I323-F426 HydrophobicContact CG2-CD1 3.14Å; I323-F426 HydrophobicContact CG2-CE1 3.01Å; I323-F426 HydrophobicContact CG2-CG 4.3Å; I323-F426 HydrophobicContact CG2-CZ 4.08Å; L378-F426 HydrophobicContact CD1-CE2 3.68Å; L378-F426 HydrophobicContact CD1-CZ 3.89Å; D422-F426 WeakPolarHBondContact O-CB 3.29Å; D422-F426 PolarHBondContact O-N 3.41Å; V423-F426 PolarHBondContact O-N 2.71Å; K424-F426 VanDerWaalsContact C-N 3.35Å; F426-F429 HydrophobicContact CD2-CD1 4.07Å; F426-F429 HydrophobicContact CE2-CD1 4.17Å; F426-F429 WeakPolarHBondContact O-CB 3.24Å; F426-F429 PolarHBondContact O-N 3.26Å; F426-L430 HydrophobicContact CD1-CD1 4.45Å; F426-L430 HydrophobicContact CD2-CD1 4.41Å; F426-L430 HydrophobicContact CD2-CG 4.38Å; F426-L430 HydrophobicContact CE1-CD1 4.13Å; F426-L430 HydrophobicContact CE2-CD1 4.03Å; F426-L430 HydrophobicContact CE2-CD2 4.14Å; F426-L430 HydrophobicContact CE2-CG 4.09Å; F426-L430 HydrophobicContact CZ-CD1 3.88Å; F426-L430 HydrophobicContact CZ-CD2 4.5Å; F426-L430 HydrophobicContact CZ-CG 4.41Å; F426-L430 WeakPolarHBondContact O-CG 3.24Å; F426-L430 PolarHBondContact O-N 3.05Å
427	K	55.7	Low	51.9	Low	46 Å²	46	62.8 Å²	62.8	20%	0.2	33%	0.327	C	S	.	.	H	α-helix	trans	-63.4	-45	173.4	-75.8	-166.5	177.2	-145	0	112.4	I323 E326 V423 K424 F429 L430 Q431	I323-K427 HydrophobicContact CG1-CG 4.25Å; E326-K427 WeakPolarHBondContact OE1-CE 3.38Å; E326-K427 IonicContact OE1-NZ 2.69Å; E326-K427 PolarHBondContact OE1-NZ 3.01Å; E326-K427 IonicContact OE2-NZ 3.7Å; V423-K427 HydrophobicContact CG1-CD 4.43Å; V423-K427 HydrophobicContact CG1-CG 4.42Å; V423-K427 WeakPolarHBondContact O-CB 3.49Å; V423-K427 WeakPolarHBondContact O-CG 3.1Å; V423-K427 PolarHBondContact O-N 2.85Å; K424-K427 PolarHBondContact O-N 3.33Å; K427-F429 VanDerWaalsContact C-N 3.31Å; K427-F429 PolarHBondContact O-N 3.4Å; K427-L430 PolarHBondContact O-N 3.04Å; K427-Q431 WeakPolarHBondContact O-CB 3.18Å; K427-Q431 VanDerWaalsContact O-CG 3.23Å; K427-Q431 WeakPolarHBondContact O-CG 3.43Å; K427-Q431 PolarHBondContact O-N 3.04Å
428	E	54.2	Low	53.7	Low	90 Å²	90	67.7 Å²	67.7	42%	0.421	34%	0.341	S	S	.	.	H	α-helix	trans	-64.1	-37.6	176.7	-77.8	178.5	169.7	0	0	110.8	K424 Q432	K424-E428 WeakPolarHBondContact CE-OE1 3.4Å; K424-E428 HydrophobicContact CG-CG 3.97Å; K424-E428 WeakPolarHBondContact CG-OE1 3.46Å; K424-E428 WeakPolarHBondContact O-CA 3.5Å; K424-E428 WeakPolarHBondContact O-CB 3.34Å; K424-E428 WeakPolarHBondContact O-CG 3.19Å; K424-E428 PolarHBondContact O-N 3.42Å; E428-Q432 VanDerWaalsContact O-CB 3.26Å; E428-Q432 WeakPolarHBondContact O-CB 3.47Å; E428-Q432 PolarHBondContact O-N 2.94Å
429	F	59	Low	55.5	Low	26 Å²	26	68.3 Å²	68.3	11%	0.114	34%	0.338	C	S	.	.	H	α-helix	trans	-58.2	-54.8	170.5	165.5	-104.1	0	0	0	110.8	Y375 T425 F426 K427 Q431 Q432 Y433	Y375-F429 HydrophobicContact CD2-CD2 4.18Å; Y375-F429 HydrophobicContact CD2-CE2 4.24Å; Y375-F429 HydrophobicContact CG-CD2 4.48Å; T425-F429 WeakPolarHBondContact O-CB 3.08Å; T425-F429 PolarHBondContact O-N 3.45Å; F426-F429 HydrophobicContact CD2-CD1 4.07Å; F426-F429 HydrophobicContact CE2-CD1 4.17Å; F426-F429 WeakPolarHBondContact O-CB 3.24Å; F426-F429 PolarHBondContact O-N 3.26Å; K427-F429 VanDerWaalsContact C-N 3.31Å; K427-F429 PolarHBondContact O-N 3.4Å; F429-Q431 VanDerWaalsContact C-N 3.32Å; F429-Q431 PolarHBondContact O-N 3Å; F429-Q432 PolarHBondContact O-N 2.93Å; F429-Y433 HydrophobicContact CE2-CD2 4.43Å; F429-Y433 WeakPolarHBondContact O-CB 2.98Å; F429-Y433 PolarHBondContact O-N 3.17Å
430	L	56	Low	57.3	Low	9 Å²	9	65.7 Å²	65.7	5%	0.047	33%	0.325	C	S	.	.	H	α-helix	trans	-61.4	-40.9	-179.2	-65.8	171.8	0	0	0	111.7	I323 G327 F426 K427 N434	I323-L430 HydrophobicContact CG2-CD1 4.06Å; I323-L430 VanDerWaalsContact O-CD1 3.25Å; I323-L430 WeakPolarHBondContact O-CD1 3.29Å; G327-L430 VanDerWaalsContact CA-CD1 3.46Å; F426-L430 HydrophobicContact CD1-CD1 4.45Å; F426-L430 HydrophobicContact CD2-CD1 4.41Å; F426-L430 HydrophobicContact CD2-CG 4.38Å; F426-L430 HydrophobicContact CE1-CD1 4.13Å; F426-L430 HydrophobicContact CE2-CD1 4.03Å; F426-L430 HydrophobicContact CE2-CD2 4.14Å; F426-L430 HydrophobicContact CE2-CG 4.09Å; F426-L430 HydrophobicContact CZ-CD1 3.88Å; F426-L430 HydrophobicContact CZ-CD2 4.5Å; F426-L430 HydrophobicContact CZ-CG 4.41Å; F426-L430 WeakPolarHBondContact O-CG 3.24Å; F426-L430 PolarHBondContact O-N 3.05Å; K427-L430 PolarHBondContact O-N 3.04Å; L430-N434 WeakPolarHBondContact O-CB 3.49Å; L430-N434 VanDerWaalsContact O-CG 3.29Å; L430-N434 PolarHBondContact O-N 3.07Å; L430-N434 PolarHBondContact O-ND2 3.35Å
431	Q	58.5	Low	59.1	Low	78 Å²	78	63.6 Å²	63.6	36%	0.364	31%	0.313	S	S	.	.	H	α-helix	trans	-70.8	-45.3	179	-71.4	177.9	13.3	0	0	113.4	E326 K427 F429 Y433 R435	E326-Q431 PolarHBondContact OE2-NE2 3.47Å; K427-Q431 WeakPolarHBondContact O-CB 3.18Å; K427-Q431 VanDerWaalsContact O-CG 3.23Å; K427-Q431 WeakPolarHBondContact O-CG 3.43Å; K427-Q431 PolarHBondContact O-N 3.04Å; F429-Q431 VanDerWaalsContact C-N 3.32Å; F429-Q431 PolarHBondContact O-N 3Å; Q431-Y433 VanDerWaalsContact C-N 3.31Å; Q431-R435 WeakPolarHBondContact O-CB 3.05Å; Q431-R435 VanDerWaalsContact O-CG 3.31Å; Q431-R435 WeakPolarHBondContact O-CG 3.3Å; Q431-R435 PolarHBondContact O-N 2.72Å; Q431-R435 VanDerWaalsContact O-N 3.08Å
432	Q	61	Low	60.9	Low	93 Å²	93	64.7 Å²	64.7	44%	0.435	32%	0.32	S	S	.	.	H	α-helix	trans	-63.4	-42.5	174.7	-88.7	-170.6	-15.2	0	0	110.4	E428 F429 R435 V436	E428-Q432 VanDerWaalsContact O-CB 3.26Å; E428-Q432 WeakPolarHBondContact O-CB 3.47Å; E428-Q432 PolarHBondContact O-N 2.94Å; F429-Q432 PolarHBondContact O-N 2.93Å; Q432-R435 PolarHBondContact O-N 3.1Å; Q432-V436 WeakPolarHBondContact O-CB 3.29Å; Q432-V436 VanDerWaalsContact O-CG2 3.23Å; Q432-V436 WeakPolarHBondContact O-CG2 3.5Å; Q432-V436 PolarHBondContact O-N 3.37Å
433	Y	59.4	Low	62.7	Low	28 Å²	28	64.3 Å²	64.3	11%	0.11	32%	0.318	C	S	.	.	H	α-helix	trans	-60.6	-49.9	-179.7	-170	-98.3	0	0	0	112.1	H350 F429 Q431 R435 V436 S437 M465	H350-Y433 AromaticContact CE1-CZ 3.75Å; H350-Y433 PolarHBondContact CE1-OH 3.49Å; H350-Y433 PolarHBondContact ND1-OH 3.07Å; H350-Y433 AromaticContact NE2-CE1 3.67Å; H350-Y433 AromaticContact NE2-CZ 3.6Å; H350-Y433 PolarHBondContact NE2-OH 2.89Å; F429-Y433 HydrophobicContact CE2-CD2 4.43Å; F429-Y433 WeakPolarHBondContact O-CB 2.98Å; F429-Y433 PolarHBondContact O-N 3.17Å; Q431-Y433 VanDerWaalsContact C-N 3.31Å; Y433-R435 VanDerWaalsContact C-N 3.35Å; Y433-R435 PolarHBondContact O-N 2.7Å; Y433-V436 PolarHBondContact O-N 2.63Å; Y433-S437 WeakPolarHBondContact O-CB 3.27Å; Y433-S437 PolarHBondContact O-N 2.87Å; Y433-M465 HydrophobicContact CD2-CE 4.16Å; Y433-M465 HydrophobicContact CE1-CE 4.45Å; Y433-M465 HydrophobicContact CE2-CE 3.19Å; Y433-M465 VanDerWaalsContact OH-CE 3.27Å; Y433-M465 WeakPolarHBondContact OH-CE 3.26Å
434	N	59.8	Low	64.5	Low	63 Å²	63	62.7 Å²	62.7	34%	0.337	31%	0.308	S	S	.	.	H	α-helix	trans	-60.9	-43.1	177	-75.2	-20.4	0	0	0	111.5	E326 L430 V436 S437 E438	E326-N434 PolarHBondContact O-ND2 2.99Å; L430-N434 WeakPolarHBondContact O-CB 3.49Å; L430-N434 VanDerWaalsContact O-CG 3.29Å; L430-N434 PolarHBondContact O-N 3.07Å; L430-N434 PolarHBondContact O-ND2 3.35Å; N434-V436 PolarHBondContact O-N 3.44Å; N434-S437 PolarHBondContact O-N 3.26Å; N434-E438 VanDerWaalsContact O-CB 3.26Å; N434-E438 WeakPolarHBondContact O-CB 3.41Å; N434-E438 PolarHBondContact O-N 3.32Å
435	R	64.6	Low	66	Low	160 Å²	160	58 Å²	58	60%	0.604	29%	0.288	S	S	*	.	H	α-helix	trans	-62.9	-40.1	176.8	-73.8	-177.9	-144.5	170.3	7.8	113	Q431 Q432 Y433 S439	Q431-R435 WeakPolarHBondContact O-CB 3.05Å; Q431-R435 VanDerWaalsContact O-CG 3.31Å; Q431-R435 WeakPolarHBondContact O-CG 3.3Å; Q431-R435 PolarHBondContact O-N 2.72Å; Q431-R435 VanDerWaalsContact O-N 3.08Å; Q432-R435 PolarHBondContact O-N 3.1Å; Y433-R435 VanDerWaalsContact C-N 3.35Å; Y433-R435 PolarHBondContact O-N 2.7Å; R435-S439 VanDerWaalsContact O-CB 3.27Å; R435-S439 WeakPolarHBondContact O-CB 3.23Å; R435-S439 PolarHBondContact O-N 3.38Å
436	V	66.2	Low	67.5	Low	11 Å²	11	62.1 Å²	62.1	7%	0.067	31%	0.305	C	S	.	.	H	α-helix	trans	-69.7	-43	178.5	173.3	0	0	0	0	110.5	Q432 Y433 N434 E438 S439 C440 M465 Y468	Q432-V436 WeakPolarHBondContact O-CB 3.29Å; Q432-V436 VanDerWaalsContact O-CG2 3.23Å; Q432-V436 WeakPolarHBondContact O-CG2 3.5Å; Q432-V436 PolarHBondContact O-N 3.37Å; Y433-V436 PolarHBondContact O-N 2.63Å; N434-V436 PolarHBondContact O-N 3.44Å; V436-E438 VanDerWaalsContact C-N 3.35Å; V436-S439 PolarHBondContact O-N 2.9Å; V436-C440 VanDerWaalsContact O-CB 3.29Å; V436-C440 WeakPolarHBondContact O-CB 3.26Å; V436-C440 PolarHBondContact O-N 2.85Å; V436-C440 PolarHBondContact O-SG 3.18Å; V436-C440 VanDerWaalsContact O-SG 3.41Å; V436-M465 HydrophobicContact CG1-CG 4.47Å; V436-Y468 HydrophobicContact CB-CD1 4.27Å; V436-Y468 HydrophobicContact CB-CE1 4.47Å; V436-Y468 HydrophobicContact CB-CG 4.5Å; V436-Y468 HydrophobicContact CG1-CD1 3.83Å; V436-Y468 HydrophobicContact CG1-CD2 4.29Å; V436-Y468 HydrophobicContact CG1-CE1 4.49Å; V436-Y468 HydrophobicContact CG1-CG 3.71Å; V436-Y468 HydrophobicContact CG2-CD1 3.35Å; V436-Y468 HydrophobicContact CG2-CD2 4.24Å; V436-Y468 HydrophobicContact CG2-CE1 3.18Å; V436-Y468 HydrophobicContact CG2-CE2 4.09Å; V436-Y468 HydrophobicContact CG2-CG 3.89Å
437	S	63.3	Low	68.3	Low	44 Å²	44	64.5 Å²	64.5	31%	0.308	32%	0.319	S	S	.	.	H	α-helix	trans	-59.4	-47.4	175.5	-172	0	0	0	0	111	Y433 N434 C440 F441	Y433-S437 WeakPolarHBondContact O-CB 3.27Å; Y433-S437 PolarHBondContact O-N 2.87Å; N434-S437 PolarHBondContact O-N 3.26Å; S437-C440 PolarHBondContact O-N 2.95Å; S437-F441 VanDerWaalsContact O-CB 3.29Å; S437-F441 WeakPolarHBondContact O-CB 3.04Å; S437-F441 PolarHBondContact O-N 2.79Å
438	E	69.2	Low	69.4	Low	136 Å²	136	70 Å²	70	64%	0.636	34%	0.343	S	S	*	.	H	α-helix	trans	-65	-43.7	178.9	-162.9	172.6	-148.4	0	0	111.8	N434 V436 F441 V442	N434-E438 VanDerWaalsContact O-CB 3.26Å; N434-E438 WeakPolarHBondContact O-CB 3.41Å; N434-E438 PolarHBondContact O-N 3.32Å; V436-E438 VanDerWaalsContact C-N 3.35Å; E438-F441 PolarHBondContact O-N 2.05Å; E438-V442 WeakPolarHBondContact O-CG2 3.37Å; E438-V442 PolarHBondContact O-N 2.84Å
439	S	71.2	Confident	70.5	Confident	60 Å²	60	71.5 Å²	71.5	42%	0.42	36%	0.359	S	S	.	.	H	α-helix	trans	-62.9	-46.1	175.7	-166.1	0	0	0	0	111.7	R435 V436 F441 V442 D443	R435-S439 VanDerWaalsContact O-CB 3.27Å; R435-S439 WeakPolarHBondContact O-CB 3.23Å; R435-S439 PolarHBondContact O-N 3.38Å; V436-S439 PolarHBondContact O-N 2.9Å; S439-F441 VanDerWaalsContact C-N 3.31Å; S439-F441 PolarHBondContact O-N 3.41Å; S439-V442 PolarHBondContact O-N 3.42Å; S439-D443 VanDerWaalsContact O-CB 3.3Å; S439-D443 WeakPolarHBondContact O-CB 3.4Å; S439-D443 VanDerWaalsContact O-CG 3.24Å; S439-D443 PolarHBondContact O-N 2.9Å
440	C	75.8	Confident	71.4	Confident	4 Å²	4	73.8 Å²	73.8	3%	0.027	37%	0.374	C	S	.	.	H	α-helix	trans	-67.1	-33.4	178	-74.7	0	0	0	0	112.2	V436 S437 C444 C464 M465	V436-C440 VanDerWaalsContact O-CB 3.29Å; V436-C440 WeakPolarHBondContact O-CB 3.26Å; V436-C440 PolarHBondContact O-N 2.85Å; V436-C440 PolarHBondContact O-SG 3.18Å; V436-C440 VanDerWaalsContact O-SG 3.41Å; S437-C440 PolarHBondContact O-N 2.95Å; C440-C444 WeakPolarHBondContact O-CB 3.19Å; C440-C444 PolarHBondContact O-N 3.36Å; C440-C444 VanDerWaalsContact O-N 3.09Å; C440-C464 WeakPolarHBondContact CA-SG 3.16Å; C440-C464 HydrophobicContact CB-CB 3.7Å; C440-C464 WeakPolarHBondContact CB-SG 3.11Å; C440-C464 WeakPolarHBondContact SG-CB 3.09Å; C440-C464 CovalentContact SG-SG 2.05Å; C440-C464 PolarHBondContact SG-SG 2.92Å; C440-M465 PolarHBondContact SG-N 3.14Å; C440-M465 VanDerWaalsContact SG-N 3.38Å
441	F	78.6	Confident	72.3	Confident	100 Å²	100	85.6 Å²	85.6	44%	0.439	42%	0.418	S	S	.	.	H	α-helix	trans	-64.1	-49.8	173.4	-177.3	-88.8	0	0	0	110.8	S437 E438 S439 D443 C444 V445	S437-F441 VanDerWaalsContact O-CB 3.29Å; S437-F441 WeakPolarHBondContact O-CB 3.04Å; S437-F441 PolarHBondContact O-N 2.79Å; E438-F441 PolarHBondContact O-N 2.05Å; S439-F441 VanDerWaalsContact C-N 3.31Å; S439-F441 PolarHBondContact O-N 3.41Å; F441-D443 VanDerWaalsContact C-N 3.3Å; F441-D443 PolarHBondContact O-N 2.92Å; F441-C444 PolarHBondContact O-N 2.88Å; F441-V445 HydrophobicContact CD1-CB 4.38Å; F441-V445 HydrophobicContact CD2-CB 4.25Å; F441-V445 HydrophobicContact CD2-CG2 3.61Å; F441-V445 HydrophobicContact CE1-CB 4.15Å; F441-V445 HydrophobicContact CE1-CG1 4.31Å; F441-V445 HydrophobicContact CE2-CB 4.03Å; F441-V445 HydrophobicContact CE2-CG1 4.1Å; F441-V445 HydrophobicContact CE2-CG2 3.62Å; F441-V445 HydrophobicContact CG-CB 4.42Å; F441-V445 HydrophobicContact CG-CG2 4.11Å; F441-V445 HydrophobicContact CZ-CB 3.97Å; F441-V445 HydrophobicContact CZ-CG1 3.82Å; F441-V445 HydrophobicContact CZ-CG2 4.1Å; F441-V445 VanDerWaalsContact O-CB 3.3Å; F441-V445 WeakPolarHBondContact O-CB 3.32Å; F441-V445 PolarHBondContact O-N 3.26Å
442	V	78.5	Confident	73	Confident	96 Å²	96	86.9 Å²	86.9	58%	0.582	43%	0.432	S	S	*	.	H	α-helix	trans	-61.4	-39.2	178	172.1	0	0	0	0	111.7	E438 S439 C444	E438-V442 WeakPolarHBondContact O-CG2 3.37Å; E438-V442 PolarHBondContact O-N 2.84Å; S439-V442 PolarHBondContact O-N 3.42Å; V442-C444 VanDerWaalsContact C-N 3.33Å; V442-C444 PolarHBondContact O-N 3.44Å
443	D	79.6	Confident	73.8	Confident	100 Å²	100	85.9 Å²	85.9	54%	0.535	43%	0.432	S	S	.	.	H	α-helix	trans	-78.6	-11.8	-178.2	-73	-22.9	0	0	0	114.4	S439 F441 H446	S439-D443 VanDerWaalsContact O-CB 3.3Å; S439-D443 WeakPolarHBondContact O-CB 3.4Å; S439-D443 VanDerWaalsContact O-CG 3.24Å; S439-D443 PolarHBondContact O-N 2.9Å; F441-D443 VanDerWaalsContact C-N 3.3Å; F441-D443 PolarHBondContact O-N 2.92Å; D443-H446 PolarHBondContact O-CE1 2.91Å; D443-H446 PolarHBondContact O-NE2 3.32Å
444	C	85.8	Confident	75	Confident	4 Å²	4	86.8 Å²	86.8	3%	0.027	44%	0.442	C	S	.	.	H	α-helix	trans	-127	-20.8	-175.7	-74.4	0	0	0	0	115.2	C440 F441 V442 H446 E457 C460 A461	C440-C444 WeakPolarHBondContact O-CB 3.19Å; C440-C444 PolarHBondContact O-N 3.36Å; C440-C444 VanDerWaalsContact O-N 3.09Å; F441-C444 PolarHBondContact O-N 2.88Å; V442-C444 VanDerWaalsContact C-N 3.33Å; V442-C444 PolarHBondContact O-N 3.44Å; C444-H446 PolarHBondContact N-CE1 3.44Å; C444-E457 WeakPolarHBondContact O-CB 3.35Å; C444-E457 VanDerWaalsContact O-CG 3.27Å; C444-E457 WeakPolarHBondContact O-CG 3.4Å; C444-C460 VanDerWaalsContact CA-SG 3.6Å; C444-C460 HydrophobicContact CB-CB 3.51Å; C444-C460 WeakPolarHBondContact CB-SG 3.47Å; C444-C460 WeakPolarHBondContact SG-CB 3.2Å; C444-C460 PolarHBondContact SG-O 2.76Å; C444-C460 CovalentContact SG-SG 2.05Å; C444-C460 PolarHBondContact SG-SG 3.48Å; C444-A461 HydrophobicContact CB-CB 4.13Å; C444-A461 PolarHBondContact SG-N 2.78Å
445	V	80.3	Confident	76.2	Confident	12 Å²	12	92.4 Å²	92.4	7%	0.073	46%	0.464	C	S	.	.			trans	-104.5	115.3	179.5	-175.2	0	0	0	0	108.3	F441 V453 E457	F441-V445 HydrophobicContact CD1-CB 4.38Å; F441-V445 HydrophobicContact CD2-CB 4.25Å; F441-V445 HydrophobicContact CD2-CG2 3.61Å; F441-V445 HydrophobicContact CE1-CB 4.15Å; F441-V445 HydrophobicContact CE1-CG1 4.31Å; F441-V445 HydrophobicContact CE2-CB 4.03Å; F441-V445 HydrophobicContact CE2-CG1 4.1Å; F441-V445 HydrophobicContact CE2-CG2 3.62Å; F441-V445 HydrophobicContact CG-CB 4.42Å; F441-V445 HydrophobicContact CG-CG2 4.11Å; F441-V445 HydrophobicContact CZ-CB 3.97Å; F441-V445 HydrophobicContact CZ-CG1 3.82Å; F441-V445 HydrophobicContact CZ-CG2 4.1Å; F441-V445 VanDerWaalsContact O-CB 3.3Å; F441-V445 WeakPolarHBondContact O-CB 3.32Å; F441-V445 PolarHBondContact O-N 3.26Å; V445-V453 HydrophobicContact CG2-CG1 4.14Å; V445-E457 HydrophobicContact CG2-CB 4.39Å
446	H	83.8	Confident	77.2	Confident	124 Å²	124	95.2 Å²	95.2	57%	0.574	47%	0.474	S	S	*	.			trans	-133.8	-22.4	-172.5	-38.4	-53.6	0	0	0	112.2	D443 C444 F448 E457	D443-H446 PolarHBondContact O-CE1 2.91Å; D443-H446 PolarHBondContact O-NE2 3.32Å; C444-H446 PolarHBondContact N-CE1 3.44Å; H446-F448 WeakPolarHBondContact O-CD2 3.31Å; H446-F448 PolarHBondContact O-N 2.87Å; H446-E457 PolarHBondContact N-OE1 3.48Å
447	D	73.5	Confident	78.1	Confident	70 Å²	70	95.4 Å²	95.4	37%	0.374	47%	0.474	S	S	.	.			trans	-87.8	90.3	180	-171.2	-1.3	0	0	0	110.5	T449 E457	D447-T449 PolarHBondContact O-N 3.46Å; D447-T449 VanDerWaalsContact OD1-CB 3.28Å; D447-T449 WeakPolarHBondContact OD1-CB 3.27Å; D447-T449 WeakPolarHBondContact OD1-CG2 3.29Å; D447-T449 PolarHBondContact OD1-N 2.97Å; D447-T449 PolarHBondContact OD1-OG1 2.79Å; D447-E457 WeakPolarHBondContact CB-OE1 3.43Å; D447-E457 PolarHBondContact N-OE1 3.08Å
448	F	79.7	Confident	79	Confident	162 Å²	162	98.5 Å²	98.5	71%	0.711	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	12.5	174.5	-60.8	-78.5	0	0	0	113.2	H446	H446-F448 WeakPolarHBondContact O-CD2 3.31Å; H446-F448 PolarHBondContact O-N 2.87Å
449	T	77.7	Confident	79.7	Confident	122 Å²	122	97 Å²	97	75%	0.748	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-12.4	179.8	71.7	0	0	0	0	113.2	D447	D447-T449 PolarHBondContact O-N 3.46Å; D447-T449 VanDerWaalsContact OD1-CB 3.28Å; D447-T449 WeakPolarHBondContact OD1-CB 3.27Å; D447-T449 WeakPolarHBondContact OD1-CG2 3.29Å; D447-T449 PolarHBondContact OD1-N 2.97Å; D447-T449 PolarHBondContact OD1-OG1 2.79Å
450	T	76.8	Confident	80.4	Confident	73 Å²	73	96.5 Å²	96.5	45%	0.448	47%	0.473	S	S	.	.	S	Bend	trans	-125	157.2	176.1	74.6	0	0	0	0	111.2	T452	T450-T452 PolarHBondContact O-N 3.34Å; T450-T452 PolarHBondContact OG1-O 3.25Å
451	R	75.9	Confident	80.5	Confident	257 Å²	257	97.5 Å²	97.5	97%	0.97	48%	0.482	S	S	*	.	S	Bend	trans	-80.4	-2.4	178.4	-73.5	-171.5	176.4	-173	-1	113.7
452	T	71.6	Confident	80.4	Confident	106 Å²	106	97.2 Å²	97.2	65%	0.65	48%	0.484	S	S	*	.	S	Bend	trans	-129.2	129.9	-172	52.4	0	0	0	0	109.8	T450 S454	T450-T452 PolarHBondContact O-N 3.34Å; T450-T452 PolarHBondContact OG1-O 3.25Å; T452-S454 PolarHBondContact O-N 3Å
453	V	78.5	Confident	80.6	Confident	72 Å²	72	96.5 Å²	96.5	44%	0.436	48%	0.477	S	S	.	.			trans	-60.3	129.7	175.6	-174.8	0	0	0	0	109.2	V445 E457 E458	V445-V453 HydrophobicContact CG2-CG1 4.14Å; V453-E457 HydrophobicContact CG1-CB 3.5Å; V453-E457 VanDerWaalsContact CG1-CB 3.5Å; V453-E458 HydrophobicContact CG1-CB 4.29Å
454	S	85.8	Confident	80.7	Confident	46 Å²	46	93.2 Å²	93.2	32%	0.322	46%	0.462	S	S	.	.			trans	-69.8	153.2	178.1	69.7	0	0	0	0	110.6	T452 R456 E457 E458	T452-S454 PolarHBondContact O-N 3Å; S454-R456 PolarHBondContact O-N 3.47Å; S454-E457 WeakPolarHBondContact CB-OE2 3.5Å; S454-E457 PolarHBondContact N-OE2 3.38Å; S454-E457 PolarHBondContact O-N 2.91Å; S454-E457 VanDerWaalsContact OG-CG 3.25Å; S454-E457 WeakPolarHBondContact OG-CG 3.23Å; S454-E457 PolarHBondContact OG-N 2.95Å; S454-E457 PolarHBondContact OG-OE2 3.38Å; S454-E458 PolarHBondContact O-N 2.93Å
455	K	83.6	Confident	80.1	Confident	182 Å²	182	94.5 Å²	94.5	79%	0.791	47%	0.468	S	S	*	.	H	α-helix	trans	-52.1	-30.1	175.8	-77.8	-171.7	174.7	-176	0	113.3	Q459	K455-Q459 VanDerWaalsContact O-CB 3.3Å; K455-Q459 WeakPolarHBondContact O-CB 3.34Å; K455-Q459 PolarHBondContact O-N 2.86Å
456	R	85.7	Confident	79.9	Confident	218 Å²	218	98.5 Å²	98.5	82%	0.823	49%	0.486	S	S	*	.	H	α-helix	trans	-72.8	-42.4	179.6	-172.3	178.1	179.6	179.3	-0.7	111.7	S454 C460	S454-R456 PolarHBondContact O-N 3.47Å; R456-C460 WeakPolarHBondContact O-CB 3.35Å; R456-C460 PolarHBondContact O-N 3.4Å
457	E	85.8	Confident	79.7	Confident	15 Å²	15	100.4 Å²	100.4	7%	0.07	49%	0.492	C	S	.	.	H	α-helix	trans	-69.7	-41.4	177	-66	169.5	124.5	0	0	110.8	C444 V445 H446 D447 V453 S454 Q459 C460 A461	C444-E457 WeakPolarHBondContact O-CB 3.35Å; C444-E457 VanDerWaalsContact O-CG 3.27Å; C444-E457 WeakPolarHBondContact O-CG 3.4Å; V445-E457 HydrophobicContact CG2-CB 4.39Å; H446-E457 PolarHBondContact N-OE1 3.48Å; D447-E457 WeakPolarHBondContact CB-OE1 3.43Å; D447-E457 PolarHBondContact N-OE1 3.08Å; V453-E457 HydrophobicContact CG1-CB 3.5Å; V453-E457 VanDerWaalsContact CG1-CB 3.5Å; S454-E457 WeakPolarHBondContact CB-OE2 3.5Å; S454-E457 PolarHBondContact N-OE2 3.38Å; S454-E457 PolarHBondContact O-N 2.91Å; S454-E457 VanDerWaalsContact OG-CG 3.25Å; S454-E457 WeakPolarHBondContact OG-CG 3.23Å; S454-E457 PolarHBondContact OG-N 2.95Å; S454-E457 PolarHBondContact OG-OE2 3.38Å; E457-Q459 PolarHBondContact O-N 3.37Å; E457-C460 WeakPolarHBondContact O-CB 3.46Å; E457-C460 PolarHBondContact O-N 3.46Å; E457-C460 VanDerWaalsContact O-N 3.17Å; E457-A461 PolarHBondContact O-N 3Å
458	E	80.8	Confident	79.7	Confident	109 Å²	109	101.6 Å²	101.6	51%	0.509	49%	0.492	S	S	.	.	H	α-helix	trans	-58.6	-48.4	173.9	-173.5	-177.2	-174.4	0	0	111.1	V453 S454 C460 A461 L462	V453-E458 HydrophobicContact CG1-CB 4.29Å; S454-E458 PolarHBondContact O-N 2.93Å; E458-C460 VanDerWaalsContact C-N 3.3Å; E458-C460 PolarHBondContact O-N 3.23Å; E458-A461 PolarHBondContact O-N 3.36Å; E458-L462 HydrophobicContact CG-CD1 4.35Å; E458-L462 WeakPolarHBondContact O-CG 3.25Å; E458-L462 PolarHBondContact O-N 2.84Å
459	Q	85.2	Confident	79	Confident	104 Å²	104	95.4 Å²	95.4	49%	0.486	47%	0.466	S	S	.	.	H	α-helix	trans	-63.9	-35.6	176.8	-169.6	64.7	61.8	0	0	112.3	K455 E457 N463	K455-Q459 VanDerWaalsContact O-CB 3.3Å; K455-Q459 WeakPolarHBondContact O-CB 3.34Å; K455-Q459 PolarHBondContact O-N 2.86Å; E457-Q459 PolarHBondContact O-N 3.37Å; Q459-N463 PolarHBondContact NE2-OD1 3.45Å; Q459-N463 WeakPolarHBondContact O-CB 3.35Å; Q459-N463 PolarHBondContact O-N 2.81Å; Q459-N463 PolarHBondContact O-ND2 3.03Å; Q459-N463 PolarHBondContact O-OD1 3.35Å
460	C	85.7	Confident	78.7	Confident	50 Å²	50	94.8 Å²	94.8	34%	0.338	45%	0.453	S	S	.	.	H	α-helix	trans	-62.5	-49.7	173.7	179	0	0	0	0	110.8	C444 R456 E457 E458 L462 N463 C464	C444-C460 VanDerWaalsContact CA-SG 3.6Å; C444-C460 HydrophobicContact CB-CB 3.51Å; C444-C460 WeakPolarHBondContact CB-SG 3.47Å; C444-C460 WeakPolarHBondContact SG-CB 3.2Å; C444-C460 PolarHBondContact SG-O 2.76Å; C444-C460 CovalentContact SG-SG 2.05Å; C444-C460 PolarHBondContact SG-SG 3.48Å; R456-C460 WeakPolarHBondContact O-CB 3.35Å; R456-C460 PolarHBondContact O-N 3.4Å; E457-C460 WeakPolarHBondContact O-CB 3.46Å; E457-C460 PolarHBondContact O-N 3.46Å; E457-C460 VanDerWaalsContact O-N 3.17Å; E458-C460 VanDerWaalsContact C-N 3.3Å; E458-C460 PolarHBondContact O-N 3.23Å; C460-L462 VanDerWaalsContact C-N 3.33Å; C460-L462 PolarHBondContact O-N 3.01Å; C460-N463 PolarHBondContact O-N 2.95Å; C460-N463 VanDerWaalsContact O-N 3.17Å; C460-C464 WeakPolarHBondContact O-CB 3.39Å; C460-C464 PolarHBondContact O-N 2.83Å
461	A	77.4	Confident	78.5	Confident	26 Å²	26	95.9 Å²	95.9	22%	0.215	45%	0.454	C	S	.	.	H	α-helix	trans	-60.8	-43.5	-178.7	0	0	0	0	0	111.1	C444 E457 E458 C464 M465	C444-A461 HydrophobicContact CB-CB 4.13Å; C444-A461 PolarHBondContact SG-N 2.78Å; E457-A461 PolarHBondContact O-N 3Å; E458-A461 PolarHBondContact O-N 3.36Å; A461-C464 WeakPolarHBondContact O-CB 3.41Å; A461-C464 PolarHBondContact O-N 3.06Å; A461-M465 WeakPolarHBondContact O-CB 3.47Å; A461-M465 PolarHBondContact O-N 3.43Å
462	L	76	Confident	78	Confident	94 Å²	94	84.8 Å²	84.8	49%	0.492	42%	0.416	S	S	.	.	H	α-helix	trans	-60.5	-45.8	174.3	-71.9	172	0	0	0	112.1	E458 C460 M465 E466	E458-L462 HydrophobicContact CG-CD1 4.35Å; E458-L462 WeakPolarHBondContact O-CG 3.25Å; E458-L462 PolarHBondContact O-N 2.84Å; C460-L462 VanDerWaalsContact C-N 3.33Å; C460-L462 PolarHBondContact O-N 3.01Å; L462-M465 PolarHBondContact O-N 2.93Å; L462-E466 WeakPolarHBondContact O-CB 3.36Å; L462-E466 PolarHBondContact O-N 3.37Å
463	N	83.3	Confident	77.6	Confident	80 Å²	80	85.5 Å²	85.5	43%	0.428	41%	0.411	S	S	.	.	H	α-helix	trans	-66.1	-39.2	178	-69.7	-12.1	0	0	0	112.1	Q459 C460 K467	Q459-N463 PolarHBondContact NE2-OD1 3.45Å; Q459-N463 WeakPolarHBondContact O-CB 3.35Å; Q459-N463 PolarHBondContact O-N 2.81Å; Q459-N463 PolarHBondContact O-ND2 3.03Å; Q459-N463 PolarHBondContact O-OD1 3.35Å; C460-N463 PolarHBondContact O-N 2.95Å; C460-N463 VanDerWaalsContact O-N 3.17Å; N463-K467 VanDerWaalsContact O-CB 3.24Å; N463-K467 WeakPolarHBondContact O-CB 3.49Å; N463-K467 PolarHBondContact O-N 2.71Å
464	C	82.1	Confident	77.1	Confident	32 Å²	32	91 Å²	91	22%	0.216	42%	0.424	C	S	.	.	H	α-helix	trans	-59.7	-50.4	175.5	173.2	0	0	0	0	110.1	C440 C460 A461 K467 Y468	C440-C464 WeakPolarHBondContact CA-SG 3.16Å; C440-C464 HydrophobicContact CB-CB 3.7Å; C440-C464 WeakPolarHBondContact CB-SG 3.11Å; C440-C464 WeakPolarHBondContact SG-CB 3.09Å; C440-C464 CovalentContact SG-SG 2.05Å; C440-C464 PolarHBondContact SG-SG 2.92Å; C460-C464 WeakPolarHBondContact O-CB 3.39Å; C460-C464 PolarHBondContact O-N 2.83Å; A461-C464 WeakPolarHBondContact O-CB 3.41Å; A461-C464 PolarHBondContact O-N 3.06Å; C464-K467 PolarHBondContact O-N 2.75Å; C464-Y468 PolarHBondContact O-N 2.95Å
465	M	73.8	Confident	76	Confident	31 Å²	31	93.6 Å²	93.6	15%	0.153	43%	0.433	C	S	.	.	H	α-helix	trans	-62.9	-47.6	-179.9	-167	179.6	172.2	0	0	110.9	Y433 V436 C440 A461 L462 K467 Y468 L469	Y433-M465 HydrophobicContact CD2-CE 4.16Å; Y433-M465 HydrophobicContact CE1-CE 4.45Å; Y433-M465 HydrophobicContact CE2-CE 3.19Å; Y433-M465 VanDerWaalsContact OH-CE 3.27Å; Y433-M465 WeakPolarHBondContact OH-CE 3.26Å; V436-M465 HydrophobicContact CG1-CG 4.47Å; C440-M465 PolarHBondContact SG-N 3.14Å; C440-M465 VanDerWaalsContact SG-N 3.38Å; A461-M465 WeakPolarHBondContact O-CB 3.47Å; A461-M465 PolarHBondContact O-N 3.43Å; L462-M465 PolarHBondContact O-N 2.93Å; M465-K467 VanDerWaalsContact C-N 3.29Å; M465-K467 PolarHBondContact O-N 3.21Å; M465-Y468 PolarHBondContact O-N 2.53Å; M465-L469 HydrophobicContact CG-CD1 4.23Å; M465-L469 WeakPolarHBondContact O-CB 3.44Å; M465-L469 WeakPolarHBondContact O-CG 3.28Å; M465-L469 PolarHBondContact O-N 2.67Å
466	E	76	Confident	74.8	Confident	96 Å²	96	87.9 Å²	87.9	45%	0.449	42%	0.417	S	S	.	.	H	α-helix	trans	-59.1	-40.3	176.7	-166.8	-170.9	174.5	0	0	112	L462 L469 K470	L462-E466 WeakPolarHBondContact O-CB 3.36Å; L462-E466 PolarHBondContact O-N 3.37Å; E466-L469 PolarHBondContact O-N 3.06Å; E466-K470 HydrophobicContact CG-CD 4.45Å; E466-K470 WeakPolarHBondContact O-CB 3.47Å; E466-K470 WeakPolarHBondContact O-CG 3.41Å; E466-K470 PolarHBondContact O-N 3.16Å; E466-K470 WeakPolarHBondContact OE1-CE 2.92Å; E466-K470 IonicContact OE1-NZ 2.91Å; E466-K470 PolarHBondContact OE1-NZ 3.25Å
467	K	79.1	Confident	73.7	Confident	163 Å²	163	82.9 Å²	82.9	71%	0.709	40%	0.403	S	S	*	.	H	α-helix	trans	-66.7	-42.3	177.8	-166.7	-179.4	-177	-174.3	0	111.5	N463 C464 M465 M471	N463-K467 VanDerWaalsContact O-CB 3.24Å; N463-K467 WeakPolarHBondContact O-CB 3.49Å; N463-K467 PolarHBondContact O-N 2.71Å; C464-K467 PolarHBondContact O-N 2.75Å; M465-K467 VanDerWaalsContact C-N 3.29Å; M465-K467 PolarHBondContact O-N 3.21Å; K467-M471 WeakPolarHBondContact O-CB 3.16Å; K467-M471 PolarHBondContact O-N 3.43Å
468	Y	73.1	Confident	72.8	Confident	95 Å²	95	90.8 Å²	90.8	37%	0.373	43%	0.432	S	S	.	.	H	α-helix	trans	-62.8	-47.1	175.7	-158.9	-78	0	0	0	110.5	V436 C464 M465 K470 M471 T472	V436-Y468 HydrophobicContact CB-CD1 4.27Å; V436-Y468 HydrophobicContact CB-CE1 4.47Å; V436-Y468 HydrophobicContact CB-CG 4.5Å; V436-Y468 HydrophobicContact CG1-CD1 3.83Å; V436-Y468 HydrophobicContact CG1-CD2 4.29Å; V436-Y468 HydrophobicContact CG1-CE1 4.49Å; V436-Y468 HydrophobicContact CG1-CG 3.71Å; V436-Y468 HydrophobicContact CG2-CD1 3.35Å; V436-Y468 HydrophobicContact CG2-CD2 4.24Å; V436-Y468 HydrophobicContact CG2-CE1 3.18Å; V436-Y468 HydrophobicContact CG2-CE2 4.09Å; V436-Y468 HydrophobicContact CG2-CG 3.89Å; C464-Y468 PolarHBondContact O-N 2.95Å; M465-Y468 PolarHBondContact O-N 2.53Å; Y468-K470 PolarHBondContact O-N 2.87Å; Y468-M471 HydrophobicContact CD2-CE 4.31Å; Y468-M471 HydrophobicContact CE2-CE 4.19Å; Y468-M471 WeakPolarHBondContact O-CA 3.09Å; Y468-M471 WeakPolarHBondContact O-CB 3.42Å; Y468-M471 PolarHBondContact O-N 3.44Å; Y468-T472 PolarHBondContact O-N 3.41Å; Y468-T472 PolarHBondContact O-OG1 3.2Å
469	L	65.3	Low	71.8	Confident	32 Å²	32	91.5 Å²	91.5	17%	0.168	43%	0.434	C	S	.	.	H	α-helix	trans	-57.4	-47.8	177.1	-69	173.4	0	0	0	112.4	S374 Y375 M465 E466 M471 T472 Q473	S374-L469 VanDerWaalsContact CB-CD2 3.48Å; S374-L469 VanDerWaalsContact OG-CD1 3.29Å; S374-L469 WeakPolarHBondContact OG-CD1 3.04Å; Y375-L469 HydrophobicContact CD2-CD2 4.33Å; Y375-L469 HydrophobicContact CE2-CD2 3.32Å; Y375-L469 WeakPolarHBondContact OH-CD2 3.16Å; Y375-L469 PolarHBondContact OH-O 3.39Å; M465-L469 HydrophobicContact CG-CD1 4.23Å; M465-L469 WeakPolarHBondContact O-CB 3.44Å; M465-L469 WeakPolarHBondContact O-CG 3.28Å; M465-L469 PolarHBondContact O-N 2.67Å; E466-L469 PolarHBondContact O-N 3.06Å; L469-M471 VanDerWaalsContact C-N 3.27Å; L469-M471 PolarHBondContact O-N 3.19Å; L469-T472 PolarHBondContact O-N 3.26Å; L469-Q473 WeakPolarHBondContact O-CB 2.73Å; L469-Q473 PolarHBondContact O-N 3.5Å
470	K	72.1	Confident	70.6	Confident	110 Å²	110	92.1 Å²	92.1	48%	0.478	44%	0.436	S	S	.	.	H	α-helix	trans	-61.6	-35.5	175.2	-76	176.2	-176.3	166.2	0	112.3	E466 Y468 R474	E466-K470 HydrophobicContact CG-CD 4.45Å; E466-K470 WeakPolarHBondContact O-CB 3.47Å; E466-K470 WeakPolarHBondContact O-CG 3.41Å; E466-K470 PolarHBondContact O-N 3.16Å; E466-K470 WeakPolarHBondContact OE1-CE 2.92Å; E466-K470 IonicContact OE1-NZ 2.91Å; E466-K470 PolarHBondContact OE1-NZ 3.25Å; Y468-K470 PolarHBondContact O-N 2.87Å; K470-R474 WeakPolarHBondContact O-CG 2.86Å; K470-R474 PolarHBondContact O-N 2.98Å
471	M	71.7	Confident	70	Confident	95 Å²	95	94.4 Å²	94.4	47%	0.468	44%	0.442	S	S	.	.	H	α-helix	trans	-67.1	-48.9	177.9	-173.3	176.2	74.2	0	0	111.1	K467 Y468 L469 Q473 R474 I475	K467-M471 WeakPolarHBondContact O-CB 3.16Å; K467-M471 PolarHBondContact O-N 3.43Å; Y468-M471 HydrophobicContact CD2-CE 4.31Å; Y468-M471 HydrophobicContact CE2-CE 4.19Å; Y468-M471 WeakPolarHBondContact O-CA 3.09Å; Y468-M471 WeakPolarHBondContact O-CB 3.42Å; Y468-M471 PolarHBondContact O-N 3.44Å; L469-M471 VanDerWaalsContact C-N 3.27Å; L469-M471 PolarHBondContact O-N 3.19Å; M471-Q473 VanDerWaalsContact C-N 3.33Å; M471-Q473 PolarHBondContact O-N 3.43Å; M471-R474 PolarHBondContact O-N 2.85Å; M471-I475 HydrophobicContact CG-CD1 4.02Å; M471-I475 WeakPolarHBondContact O-CG1 3.35Å; M471-I475 PolarHBondContact O-N 3.18Å
472	T	65.1	Low	69.8	Low	25 Å²	25	98.7 Å²	98.7	15%	0.153	46%	0.456	C	S	.	.	H	α-helix	trans	-64.6	-38.6	179.4	-26.5	0	0	0	0	111.7	Y375 Y468 L469 R474 I475 S476	Y375-T472 HydrophobicContact CE1-CG2 4.42Å; Y375-T472 WeakPolarHBondContact OH-CB 3.46Å; Y375-T472 PolarHBondContact OH-OG1 3.41Å; Y468-T472 PolarHBondContact O-N 3.41Å; Y468-T472 PolarHBondContact O-OG1 3.2Å; L469-T472 PolarHBondContact O-N 3.26Å; T472-R474 VanDerWaalsContact C-N 3.32Å; T472-R474 PolarHBondContact O-N 2.56Å; T472-I475 PolarHBondContact O-N 3.1Å; T472-S476 WeakPolarHBondContact O-CB 3.33Å; T472-S476 PolarHBondContact O-N 3.05Å
473	Q	63.3	Low	69.2	Low	120 Å²	120	99.2 Å²	99.2	56%	0.561	46%	0.456	S	S	*	.	H	α-helix	trans	-61.4	-40.9	176.7	-157.5	177.9	22.8	0	0	111.7	L469 M471 S476 Q477	L469-Q473 WeakPolarHBondContact O-CB 2.73Å; L469-Q473 PolarHBondContact O-N 3.5Å; M471-Q473 VanDerWaalsContact C-N 3.33Å; M471-Q473 PolarHBondContact O-N 3.43Å; Q473-S476 PolarHBondContact O-N 2.9Å; Q473-Q477 PolarHBondContact O-N 3.02Å
474	R	67.2	Low	68.4	Low	187 Å²	187	100.8 Å²	100.8	71%	0.706	46%	0.464	S	S	*	.	H	α-helix	trans	-65.4	-41	173.4	-77.4	178.6	176.7	-175.5	-0.4	112.7	K470 M471 T472 S476 Q477 R478	K470-R474 WeakPolarHBondContact O-CG 2.86Å; K470-R474 PolarHBondContact O-N 2.98Å; M471-R474 PolarHBondContact O-N 2.85Å; T472-R474 VanDerWaalsContact C-N 3.32Å; T472-R474 PolarHBondContact O-N 2.56Å; R474-S476 VanDerWaalsContact C-N 3.34Å; R474-Q477 PolarHBondContact O-N 3.37Å; R474-R478 WeakPolarHBondContact O-CB 3.48Å; R474-R478 WeakPolarHBondContact O-CG 3.44Å; R474-R478 PolarHBondContact O-N 3.26Å
475	I	63	Low	68	Low	101 Å²	101	104.5 Å²	104.5	52%	0.518	48%	0.481	S	S	.	.	H	α-helix	trans	-63.2	-43.6	176.8	-68.4	167.6	0	0	0	109.9	M471 T472 R478 F479	M471-I475 HydrophobicContact CG-CD1 4.02Å; M471-I475 WeakPolarHBondContact O-CG1 3.35Å; M471-I475 PolarHBondContact O-N 3.18Å; T472-I475 PolarHBondContact O-N 3.1Å; I475-R478 PolarHBondContact O-N 3.03Å; I475-F479 WeakPolarHBondContact O-CB 3.34Å; I475-F479 PolarHBondContact O-N 3.26Å
476	S	58.2	Low	67.7	Low	63 Å²	63	108.3 Å²	108.3	44%	0.441	50%	0.498	S	S	.	.	H	α-helix	trans	-64.6	-42.2	179.2	-156.4	0	0	0	0	112.2	T472 Q473 R474 F479 Q480	T472-S476 WeakPolarHBondContact O-CB 3.33Å; T472-S476 PolarHBondContact O-N 3.05Å; Q473-S476 PolarHBondContact O-N 2.9Å; R474-S476 VanDerWaalsContact C-N 3.34Å; S476-F479 PolarHBondContact O-N 3Å; S476-Q480 PolarHBondContact O-N 2.94Å
477	Q	63.5	Low	66.8	Low	113 Å²	113	105.5 Å²	105.5	53%	0.528	49%	0.492	S	S	.	.	H	α-helix	trans	-59.9	-46.1	172.7	-81.9	-179.3	-23.1	0	0	111.8	Q473 R474 F479 Q480 E481	Q473-Q477 PolarHBondContact O-N 3.02Å; R474-Q477 PolarHBondContact O-N 3.37Å; Q477-F479 VanDerWaalsContact C-N 3.28Å; Q477-F479 PolarHBondContact O-N 2.94Å; Q477-Q480 PolarHBondContact O-N 3Å; Q477-E481 WeakPolarHBondContact O-CG 3.46Å; Q477-E481 PolarHBondContact O-N 3.28Å
478	R	66.3	Low	66.2	Low	180 Å²	180	104.7 Å²	104.7	68%	0.679	49%	0.49	S	S	*	.	H	α-helix	trans	-62.2	-35.5	177.2	-76.2	-77.1	178.1	171.7	-3.1	112.5	R474 I475 E481 F482	R474-R478 WeakPolarHBondContact O-CB 3.48Å; R474-R478 WeakPolarHBondContact O-CG 3.44Å; R474-R478 PolarHBondContact O-N 3.26Å; I475-R478 PolarHBondContact O-N 3.03Å; R478-E481 IonicContact NE-OE2 3.92Å; R478-F482 WeakPolarHBondContact O-CB 3.47Å; R478-F482 PolarHBondContact O-N 3.49Å
479	F	60.6	Low	66	Low	125 Å²	125	104.4 Å²	104.4	55%	0.548	51%	0.508	S	S	.	.	H	α-helix	trans	-69.7	-40.8	177	-162.7	-99.3	0	0	0	111.8	I475 S476 Q477 F482 Q483	I475-F479 WeakPolarHBondContact O-CB 3.34Å; I475-F479 PolarHBondContact O-N 3.26Å; S476-F479 PolarHBondContact O-N 3Å; Q477-F479 VanDerWaalsContact C-N 3.28Å; Q477-F479 PolarHBondContact O-N 2.94Å; F479-F482 PolarHBondContact O-N 3.3Å; F479-Q483 HydrophobicContact CD1-CG 4.29Å; F479-Q483 HydrophobicContact CE1-CG 4.13Å; F479-Q483 WeakPolarHBondContact O-CG 3.45Å; F479-Q483 PolarHBondContact O-N 2.98Å
480	Q	60.5	Low	65.5	Low	117 Å²	117	106.5 Å²	106.5	55%	0.547	53%	0.525	S	S	.	.	H	α-helix	trans	-63.4	-43.7	172.9	-75.7	179.9	-23.3	0	0	112.2	S476 Q477 F482 Q483 L484	S476-Q480 PolarHBondContact O-N 2.94Å; Q477-Q480 PolarHBondContact O-N 3Å; Q480-F482 VanDerWaalsContact C-N 3.3Å; Q480-F482 PolarHBondContact O-N 2.95Å; Q480-Q483 PolarHBondContact O-N 3.42Å; Q480-L484 WeakPolarHBondContact O-CG 3.39Å; Q480-L484 PolarHBondContact O-N 3.3Å
481	E	72.8	Confident	64	Low	98 Å²	98	104.6 Å²	104.6	46%	0.458	54%	0.537	S	S	.	.	H	α-helix	trans	-57.5	-43.9	173.2	-74.2	174.4	179.5	0	0	111.4	Q477 R478 L484 L485	Q477-E481 WeakPolarHBondContact O-CG 3.46Å; Q477-E481 PolarHBondContact O-N 3.28Å; R478-E481 IonicContact NE-OE2 3.92Å; E481-L484 PolarHBondContact O-N 3.02Å; E481-L485 VanDerWaalsContact O-CG 3.31Å; E481-L485 WeakPolarHBondContact O-CG 3.31Å; E481-L485 PolarHBondContact O-N 3.41Å
482	F	73.2	Confident	62.5	Low	115 Å²	115	104.8 Å²	104.8	50%	0.504	54%	0.544	S	S	.	.	H	α-helix	trans	-65.7	-40.2	178.6	-175.2	-98.4	0	0	0	112.8	R478 F479 Q480 L485 Q486	R478-F482 WeakPolarHBondContact O-CB 3.47Å; R478-F482 PolarHBondContact O-N 3.49Å; F479-F482 PolarHBondContact O-N 3.3Å; Q480-F482 VanDerWaalsContact C-N 3.3Å; Q480-F482 PolarHBondContact O-N 2.95Å; F482-L485 PolarHBondContact O-N 2.93Å; F482-Q486 HydrophobicContact CD1-CG 4.49Å; F482-Q486 HydrophobicContact CE1-CG 4.09Å; F482-Q486 VanDerWaalsContact CE1-NE2 3.29Å; F482-Q486 HydrophobicContact CZ-CG 4.33Å; F482-Q486 PolarHBondContact O-N 2.9Å
483	Q	62.4	Low	61.2	Low	106 Å²	106	107.3 Å²	107.3	50%	0.495	56%	0.562	S	S	.	*	H	α-helix	trans	-66.3	-40.3	175.1	-76.3	-169.4	-26	0	0	112.6	F479 Q480 Q486 A487	F479-Q483 HydrophobicContact CD1-CG 4.29Å; F479-Q483 HydrophobicContact CE1-CG 4.13Å; F479-Q483 WeakPolarHBondContact O-CG 3.45Å; F479-Q483 PolarHBondContact O-N 2.98Å; Q480-Q483 PolarHBondContact O-N 3.42Å; Q483-Q486 PolarHBondContact O-N 3.26Å; Q483-A487 WeakPolarHBondContact O-CB 3.49Å; Q483-A487 PolarHBondContact O-N 3.43Å
484	L	66.7	Low	59.9	Low	113 Å²	113	107.9 Å²	107.9	59%	0.592	58%	0.576	S	S	*	*	H	α-helix	trans	-60.6	-45.5	174.2	-79.1	163	0	0	0	111.3	Q480 E481 Q486 A487 E488	Q480-L484 WeakPolarHBondContact O-CG 3.39Å; Q480-L484 PolarHBondContact O-N 3.3Å; E481-L484 PolarHBondContact O-N 3.02Å; L484-Q486 VanDerWaalsContact C-N 3.32Å; L484-Q486 PolarHBondContact O-N 3.08Å; L484-A487 PolarHBondContact O-N 2.96Å; L484-E488 WeakPolarHBondContact O-CG 3.49Å; L484-E488 PolarHBondContact O-N 2.95Å
485	L	74.3	Confident	58.5	Low	110 Å²	110	104.9 Å²	104.9	58%	0.576	57%	0.573	S	S	*	*	H	α-helix	trans	-63.8	-35.5	176.3	-72.1	167.5	0	0	0	112.6	E481 F482 A489	E481-L485 VanDerWaalsContact O-CG 3.31Å; E481-L485 WeakPolarHBondContact O-CG 3.31Å; E481-L485 PolarHBondContact O-N 3.41Å; F482-L485 PolarHBondContact O-N 2.93Å; L485-A489 WeakPolarHBondContact O-CB 3.43Å; L485-A489 PolarHBondContact O-N 3.42Å; L485-A489 VanDerWaalsContact O-N 3.08Å
486	Q	67	Low	57	Low	110 Å²	110	109.2 Å²	109.2	51%	0.514	59%	0.588	S	S	.	*	H	α-helix	trans	-69.3	-40.6	173.7	-82.9	-166.1	-16	0	0	112.6	F482 Q483 L484 E488 A489 S490	F482-Q486 HydrophobicContact CD1-CG 4.49Å; F482-Q486 HydrophobicContact CE1-CG 4.09Å; F482-Q486 VanDerWaalsContact CE1-NE2 3.29Å; F482-Q486 HydrophobicContact CZ-CG 4.33Å; F482-Q486 PolarHBondContact O-N 2.9Å; Q483-Q486 PolarHBondContact O-N 3.26Å; L484-Q486 VanDerWaalsContact C-N 3.32Å; L484-Q486 PolarHBondContact O-N 3.08Å; Q486-E488 VanDerWaalsContact C-N 3.34Å; Q486-A489 PolarHBondContact O-N 3.2Å; Q486-S490 PolarHBondContact O-N 3.25Å; Q486-S490 PolarHBondContact O-OG 3.45Å
487	A	57.3	Low	55.8	Low	38 Å²	38	115.4 Å²	115.4	31%	0.314	61%	0.61	S	S	.	*	H	α-helix	trans	-66.5	-36	177.9	0	0	0	0	0	112.3	Q483 L484 S490 G491	Q483-A487 WeakPolarHBondContact O-CB 3.49Å; Q483-A487 PolarHBondContact O-N 3.43Å; L484-A487 PolarHBondContact O-N 2.96Å; A487-S490 WeakPolarHBondContact CA-OG 3.37Å; A487-S490 PolarHBondContact O-N 3.23Å; A487-S490 PolarHBondContact O-OG 3.49Å; A487-G491 PolarHBondContact O-N 2.97Å
488	E	67.6	Low	54.3	Low	145 Å²	145	117.9 Å²	117.9	68%	0.678	63%	0.627	S	S	*	*	H	α-helix	trans	-66.5	-38.3	171.2	-74.1	-179.7	167.7	0	0	111.9	L484 Q486	L484-E488 WeakPolarHBondContact O-CG 3.49Å; L484-E488 PolarHBondContact O-N 2.95Å; Q486-E488 VanDerWaalsContact C-N 3.34Å
489	A	67.4	Low	52.9	Low	90 Å²	90	122.9 Å²	122.9	74%	0.744	65%	0.654	S	S	*	*	H	α-helix	trans	-72.6	-25.2	177	0	0	0	0	0	113.8	L485 Q486	L485-A489 WeakPolarHBondContact O-CB 3.43Å; L485-A489 PolarHBondContact O-N 3.42Å; L485-A489 VanDerWaalsContact O-N 3.08Å; Q486-A489 PolarHBondContact O-N 3.2Å
490	S	56	Low	52.5	Low	76 Å²	76	122.8 Å²	122.8	53%	0.531	66%	0.659	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.4	-0.3	179.8	63.9	0	0	0	0	114.7	Q486 A487 T492	Q486-S490 PolarHBondContact O-N 3.25Å; Q486-S490 PolarHBondContact O-OG 3.45Å; A487-S490 WeakPolarHBondContact CA-OG 3.37Å; A487-S490 PolarHBondContact O-N 3.23Å; A487-S490 PolarHBondContact O-OG 3.49Å; S490-T492 VanDerWaalsContact C-N 3.25Å; S490-T492 PolarHBondContact O-N 3.05Å; S490-T492 PolarHBondContact OG-OG1 3.3Å; S490-T492 VanDerWaalsContact OG-OG1 3.05Å
491	G	40	Very low	52.1	Low	70 Å²	70	123.1 Å²	123.1	72%	0.722	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.7	10.7	175.8	0	0	0	0	0	115.3	A487	A487-G491 PolarHBondContact O-N 2.97Å
492	T	40.1	Very low	51	Low	99 Å²	99	124.4 Å²	124.4	61%	0.607	68%	0.676	S	S	*	*			trans	-103.1	74	177.7	46.8	0	0	0	0	110.1	S490	S490-T492 VanDerWaalsContact C-N 3.25Å; S490-T492 PolarHBondContact O-N 3.05Å; S490-T492 PolarHBondContact OG-OG1 3.3Å; S490-T492 VanDerWaalsContact OG-OG1 3.05Å
493	S	37.3	Very low	49.7	Very low	77 Å²	77	125 Å²	125	54%	0.538	69%	0.687	S	S	.	*			trans	-98.6	123.9	168.3	179.9	0	0	0	0	109.8	I495	S493-I495 PolarHBondContact O-N 3.21Å
494	P	36.9	Very low	48.9	Very low	133 Å²	133	126.2 Å²	126.2	86%	0.864	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	67.3	176.6	34.1	-32.2	0	0	0	109.9
495	I	37.1	Very low	47.7	Very low	123 Å²	123	127.1 Å²	127.1	63%	0.631	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.3	-4.2	177.9	-63.3	-176	0	0	0	114.1	S493	S493-I495 PolarHBondContact O-N 3.21Å
496	F	32.7	Very low	45.8	Very low	192 Å²	192	128.3 Å²	128.3	84%	0.842	72%	0.715	S	S	*	*			trans	-138.9	85.6	175.4	-74.4	-83.4	0	0	0	114
497	Q	31.8	Very low	44.1	Very low	193 Å²	193	129.7 Å²	129.7	90%	0.902	73%	0.73	S	S	*	*			trans	-132.6	80.6	150.6	-76.7	-167.7	-9.2	0	0	109.1
498	N	33.5	Very low	43	Very low	165 Å²	165	137.3 Å²	137.3	88%	0.882	77%	0.765	S	S	*	*			trans	-151.2	89.6	157.7	-104.4	-17	0	0	0	106.7
499	K	36.2	Very low	40.8	Very low	285 Å²	285	136.6 Å²	136.6	100%	1.239	77%	0.773	S	S	*	*			trans	-156.6	0	158.3	-104.8	-170.9	-176	-178.2	0	109.6

Retrieved 499 of 499 residues in 728.9 ms (Link to these results)

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