A0A087XM07_POEFO Loading...

Vitamin D 25-hydroxylase

A cytochrome P450 monooxygenase involved in activation of vitamin D precursors. Catalyzes hydroxylation at C-25 of both forms of vitamin D, vitamin D(2) and D(3) (calciol). Can metabolize vitamin D analogs/prodrugs 1alpha-hydroxyvitamin D(2) (doxercalciferol) and 1alpha-hydroxyvitamin D(3) (alfacalcidol) forming 25-hydroxy derivatives. Mechanistically, uses molecular oxygen inserting one oxygen atom into a substrate, and reducing the second into a water molecule, with two electrons provided by NADPH via cytochrome P450 reductase (CPR; NADPH-ferrihemoprotein reductase).

AlphaFold DB , UniProt , Accession A0A087XM07, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 521 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	43.4	Very low	52.1	Low	249 Å²	249	150.5 Å²	150.5	100%	1.227	85%	0.85	S	S	*	*				0	100	0	-86.3	174.3	162.4	0	0	108.3
2	V	40.2	Very low	53.4	Low	145 Å²	145	146.3 Å²	146.3	88%	0.879	83%	0.83	S	S	*	*			trans	-88.9	114.7	175.4	177.1	0	0	0	0	107.2	L4	V2-L4 PolarHBondContact O-N 3.22Å
3	S	47.3	Very low	55.6	Low	110 Å²	110	140.2 Å²	140.2	77%	0.769	80%	0.797	S	S	*	*			trans	-76.1	109.9	177.4	-176.4	0	0	0	0	109.2	K5	S3-K5 PolarHBondContact O-N 3.08Å
4	L	47	Very low	57.3	Low	167 Å²	167	138.4 Å²	138.4	87%	0.874	79%	0.794	S	S	*	*			trans	-68.4	107.3	168.5	-85.8	146.3	0	0	0	108.3	V2 S6	V2-L4 PolarHBondContact O-N 3.22Å; L4-S6 PolarHBondContact O-N 3.14Å
5	K	52.1	Low	58.8	Low	198 Å²	198	133.9 Å²	133.9	86%	0.861	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-61.8	121.4	166.3	-82.7	-178.6	174.5	178.9	0	108.5	S3	S3-K5 PolarHBondContact O-N 3.08Å
6	S	56	Low	60.3	Low	106 Å²	106	132.4 Å²	132.4	74%	0.741	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-60.6	137.9	168.3	43.7	0	0	0	0	109.8	L4 S8	L4-S6 PolarHBondContact O-N 3.14Å; S6-S8 PolarHBondContact O-N 3.02Å
7	P	50.7	Low	61.6	Low	122 Å²	122	126.9 Å²	126.9	79%	0.792	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-66.7	123.6	175.8	25.5	-29.6	0	0	0	109	L9	P7-L9 PolarHBondContact O-N 3.11Å; P7-L9 VanDerWaalsContact O-N 3.13Å
8	S	53.5	Low	62.9	Low	104 Å²	104	126.3 Å²	126.3	73%	0.727	73%	0.73	S	S	*	*			trans	-64	108.7	170.8	52.3	0	0	0	0	109	S6 M10	S6-S8 PolarHBondContact O-N 3.02Å; S8-M10 PolarHBondContact O-N 3.39Å
9	L	59.1	Low	64.2	Low	174 Å²	174	126 Å²	126	91%	0.911	73%	0.725	S	S	*	*			trans	-61.8	106.6	165.8	-85.7	135.9	0	0	0	107.7	P7	P7-L9 PolarHBondContact O-N 3.11Å; P7-L9 VanDerWaalsContact O-N 3.13Å
10	M	61.2	Low	65.3	Low	161 Å²	161	122.7 Å²	122.7	79%	0.793	71%	0.713	S	S	*	*			trans	-62.5	136.2	171.6	-72.8	-140.5	162.7	0	0	109.2	S8 V12	S8-M10 PolarHBondContact O-N 3.39Å; M10-V12 PolarHBondContact O-N 3.33Å; M10-V12 VanDerWaalsContact O-N 3.13Å
11	P	62.8	Low	66.4	Low	119 Å²	119	122.2 Å²	122.2	77%	0.773	71%	0.707	S	S	*	*			trans	-67.1	113.6	177.1	25.8	-30.7	0	0	0	109.1	T13	P11-T13 PolarHBondContact O-N 3.48Å
12	V	68.2	Low	68.6	Low	101 Å²	101	113.2 Å²	113.2	61%	0.612	67%	0.669	S	S	*	*			trans	-61.4	125.4	173.7	-178.2	0	0	0	0	108.1	M10 E16 A17	M10-V12 PolarHBondContact O-N 3.33Å; M10-V12 VanDerWaalsContact O-N 3.13Å; V12-E16 HydrophobicContact CG1-CB 3.93Å; V12-A17 HydrophobicContact CG1-CB 4.09Å
13	T	81.8	Confident	71	Confident	66 Å²	66	109.5 Å²	109.5	41%	0.405	65%	0.649	S	S	.	*			trans	-69.8	149.1	177.8	62.6	0	0	0	0	110.1	P11 A15 E16 A17	P11-T13 PolarHBondContact O-N 3.48Å; T13-A15 PolarHBondContact O-N 2.66Å; T13-A15 VanDerWaalsContact O-N 3.08Å; T13-E16 PolarHBondContact N-OE2 3.11Å; T13-E16 PolarHBondContact O-N 3.26Å; T13-E16 VanDerWaalsContact O-N 3.08Å; T13-E16 WeakPolarHBondContact OG1-CG 3.09Å; T13-E16 PolarHBondContact OG1-N 3.38Å; T13-E16 PolarHBondContact OG1-OE2 2.85Å; T13-A17 PolarHBondContact O-N 2.91Å
14	P	79.2	Confident	73	Confident	116 Å²	116	110 Å²	110	75%	0.753	64%	0.642	S	S	*	*	H	α-helix	trans	-54.4	-30.4	176.8	-27.2	34.6	0	0	0	113.6	L18	P14-L18 WeakPolarHBondContact O-CB 3.36Å; P14-L18 PolarHBondContact O-N 3.31Å
15	A	79.6	Confident	75	Confident	71 Å²	71	104.8 Å²	104.8	59%	0.587	62%	0.623	S	S	*	*	H	α-helix	trans	-70.2	-43.2	177	0	0	0	0	0	112.7	T13 L18 L19	T13-A15 PolarHBondContact O-N 2.66Å; T13-A15 VanDerWaalsContact O-N 3.08Å; A15-L18 PolarHBondContact O-N 3.31Å; A15-L19 WeakPolarHBondContact O-CB 3.44Å; A15-L19 PolarHBondContact O-N 3.04Å
16	E	82.6	Confident	76.9	Confident	110 Å²	110	100.8 Å²	100.8	51%	0.514	61%	0.611	S	S	.	*	H	α-helix	trans	-66.3	-38.9	175.5	-71.4	163.1	151.7	0	0	111.5	V12 T13 L19 A20	V12-E16 HydrophobicContact CG1-CB 3.93Å; T13-E16 PolarHBondContact N-OE2 3.11Å; T13-E16 PolarHBondContact O-N 3.26Å; T13-E16 VanDerWaalsContact O-N 3.08Å; T13-E16 WeakPolarHBondContact OG1-CG 3.09Å; T13-E16 PolarHBondContact OG1-N 3.38Å; T13-E16 PolarHBondContact OG1-OE2 2.85Å; E16-L19 PolarHBondContact O-N 3.19Å; E16-A20 VanDerWaalsContact O-CB 3.3Å; E16-A20 WeakPolarHBondContact O-CB 3.38Å; E16-A20 PolarHBondContact O-N 3.39Å
17	A	81.9	Confident	78.6	Confident	39 Å²	39	100.4 Å²	100.4	32%	0.322	60%	0.604	S	S	.	*	H	α-helix	trans	-63.4	-44.2	173.8	0	0	0	0	0	111.8	V12 T13 A20 L21	V12-A17 HydrophobicContact CG1-CB 4.09Å; T13-A17 PolarHBondContact O-N 2.91Å; A17-A20 PolarHBondContact O-N 2.93Å; A17-L21 WeakPolarHBondContact O-CB 3.49Å; A17-L21 VanDerWaalsContact O-CG 3.27Å; A17-L21 WeakPolarHBondContact O-CG 3.31Å; A17-L21 PolarHBondContact O-N 3.07Å
18	L	85.1	Confident	80.5	Confident	115 Å²	115	99.5 Å²	99.5	60%	0.602	59%	0.592	S	S	*	*	H	α-helix	trans	-64.9	-40.2	177.4	-168.3	74.7	0	0	0	111.9	P14 A15 S22	P14-L18 WeakPolarHBondContact O-CB 3.36Å; P14-L18 PolarHBondContact O-N 3.31Å; A15-L18 PolarHBondContact O-N 3.31Å; L18-S22 WeakPolarHBondContact O-CB 3.15Å; L18-S22 PolarHBondContact O-N 3.09Å; L18-S22 PolarHBondContact O-OG 3.31Å
19	L	88.3	Confident	82.1	Confident	121 Å²	121	100 Å²	100	63%	0.634	59%	0.586	S	S	*	*	H	α-helix	trans	-65.6	-44.8	176.3	-161.9	98.5	0	0	0	111.2	A15 E16 S22 C23	A15-L19 WeakPolarHBondContact O-CB 3.44Å; A15-L19 PolarHBondContact O-N 3.04Å; E16-L19 PolarHBondContact O-N 3.19Å; L19-S22 PolarHBondContact O-N 2.88Å; L19-C23 WeakPolarHBondContact O-CB 3.37Å; L19-C23 PolarHBondContact O-N 2.79Å; L19-C23 PolarHBondContact O-SG 2.94Å; L19-C23 VanDerWaalsContact O-SG 3.37Å
20	A	86.2	Confident	83.5	Confident	59 Å²	59	94.2 Å²	94.2	49%	0.488	56%	0.563	S	S	.	*	H	α-helix	trans	-62.4	-43	177	0	0	0	0	0	112.1	E16 A17 S22 C23 L24	E16-A20 VanDerWaalsContact O-CB 3.3Å; E16-A20 WeakPolarHBondContact O-CB 3.38Å; E16-A20 PolarHBondContact O-N 3.39Å; A17-A20 PolarHBondContact O-N 2.93Å; A20-S22 VanDerWaalsContact C-N 3.33Å; A20-S22 PolarHBondContact O-N 2.73Å; A20-C23 PolarHBondContact O-N 2.78Å; A20-L24 WeakPolarHBondContact O-CB 3.27Å; A20-L24 PolarHBondContact O-N 2.76Å
21	L	89.1	Confident	84.9	Confident	113 Å²	113	92.6 Å²	92.6	59%	0.592	55%	0.552	S	S	*	*	H	α-helix	trans	-62.6	-40.3	174.1	-74.3	168.7	0	0	0	111.8	A17 L24 A25	A17-L21 WeakPolarHBondContact O-CB 3.49Å; A17-L21 VanDerWaalsContact O-CG 3.27Å; A17-L21 WeakPolarHBondContact O-CG 3.31Å; A17-L21 PolarHBondContact O-N 3.07Å; L21-L24 PolarHBondContact O-N 2.79Å; L21-A25 WeakPolarHBondContact O-CB 3.44Å; L21-A25 PolarHBondContact O-N 3.47Å
22	S	88.1	Confident	86	Confident	60 Å²	60	90.3 Å²	90.3	42%	0.42	53%	0.532	S	S	.	.	H	α-helix	trans	-66.7	-44.5	177.7	-58.6	0	0	0	0	111.8	L18 L19 A20 A25 L26	L18-S22 WeakPolarHBondContact O-CB 3.15Å; L18-S22 PolarHBondContact O-N 3.09Å; L18-S22 PolarHBondContact O-OG 3.31Å; L19-S22 PolarHBondContact O-N 2.88Å; A20-S22 VanDerWaalsContact C-N 3.33Å; A20-S22 PolarHBondContact O-N 2.73Å; S22-A25 PolarHBondContact O-N 3.3Å; S22-L26 WeakPolarHBondContact O-CG 3.33Å; S22-L26 PolarHBondContact O-N 3.12Å
23	C	90.8	Very high	86.9	Confident	68 Å²	68	89 Å²	89	46%	0.459	52%	0.522	S	S	.	.	H	α-helix	trans	-62.1	-43.5	174.6	-72.9	0	0	0	0	111.7	L19 A20 A25 L26 V27	L19-C23 WeakPolarHBondContact O-CB 3.37Å; L19-C23 PolarHBondContact O-N 2.79Å; L19-C23 PolarHBondContact O-SG 2.94Å; L19-C23 VanDerWaalsContact O-SG 3.37Å; A20-C23 PolarHBondContact O-N 2.78Å; C23-A25 VanDerWaalsContact C-N 3.34Å; C23-A25 PolarHBondContact O-N 3.11Å; C23-L26 PolarHBondContact O-N 2.78Å; C23-V27 WeakPolarHBondContact O-CG2 3.32Å; C23-V27 PolarHBondContact O-N 3.03Å
24	L	90.8	Very high	87.3	Confident	119 Å²	119	90.1 Å²	90.1	62%	0.623	53%	0.528	S	S	*	.	H	α-helix	trans	-61.7	-42.9	176	-175.4	66.9	0	0	0	111.4	A20 L21 V27 L28	A20-L24 WeakPolarHBondContact O-CB 3.27Å; A20-L24 PolarHBondContact O-N 2.76Å; L21-L24 PolarHBondContact O-N 2.79Å; L24-V27 PolarHBondContact O-N 2.9Å; L24-L28 WeakPolarHBondContact O-CB 3.44Å; L24-L28 PolarHBondContact O-N 3.38Å
25	A	88.7	Confident	87.7	Confident	58 Å²	58	90.5 Å²	90.5	48%	0.479	52%	0.515	S	S	.	.	H	α-helix	trans	-62.6	-41.7	175.9	0	0	0	0	0	112	L21 S22 C23 L28 L29	L21-A25 WeakPolarHBondContact O-CB 3.44Å; L21-A25 PolarHBondContact O-N 3.47Å; S22-A25 PolarHBondContact O-N 3.3Å; C23-A25 VanDerWaalsContact C-N 3.34Å; C23-A25 PolarHBondContact O-N 3.11Å; A25-L28 PolarHBondContact O-N 2.91Å; A25-L29 VanDerWaalsContact O-CB 3.31Å; A25-L29 WeakPolarHBondContact O-CB 3.26Å; A25-L29 PolarHBondContact O-N 2.86Å
26	L	91.4	Very high	88	Confident	114 Å²	114	87.8 Å²	87.8	60%	0.597	49%	0.49	S	S	*	.	H	α-helix	trans	-65.8	-43.2	176.6	-73.6	171.5	0	0	0	112.4	S22 C23 L28 L29 A30	S22-L26 WeakPolarHBondContact O-CG 3.33Å; S22-L26 PolarHBondContact O-N 3.12Å; C23-L26 PolarHBondContact O-N 2.78Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-L29 PolarHBondContact O-N 2.81Å; L26-A30 WeakPolarHBondContact O-CB 3.44Å; L26-A30 PolarHBondContact O-N 3.14Å
27	V	91.6	Very high	88.3	Confident	99 Å²	99	86 Å²	86	60%	0.6	48%	0.484	S	S	*	.	H	α-helix	trans	-63.1	-43	175.6	171.2	0	0	0	0	110.6	C23 L24 A30 F31	C23-V27 WeakPolarHBondContact O-CG2 3.32Å; C23-V27 PolarHBondContact O-N 3.03Å; L24-V27 PolarHBondContact O-N 2.9Å; V27-A30 PolarHBondContact O-N 3.49Å; V27-F31 WeakPolarHBondContact O-CB 3.43Å; V27-F31 PolarHBondContact O-N 2.9Å
28	L	89.6	Confident	88.6	Confident	102 Å²	102	88.9 Å²	88.9	53%	0.534	50%	0.497	S	S	.	.	H	α-helix	trans	-62.5	-43.7	175.7	-176.8	65.8	0	0	0	111.3	L24 A25 L26 F31 L32	L24-L28 WeakPolarHBondContact O-CB 3.44Å; L24-L28 PolarHBondContact O-N 3.38Å; A25-L28 PolarHBondContact O-N 2.91Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L28-F31 PolarHBondContact O-N 3.33Å; L28-L32 HydrophobicContact CG-CD1 4.18Å; L28-L32 WeakPolarHBondContact O-CB 3.24Å; L28-L32 VanDerWaalsContact O-CG 3.25Å; L28-L32 WeakPolarHBondContact O-CG 3.26Å; L28-L32 PolarHBondContact O-N 3.14Å
29	L	88.1	Confident	88.6	Confident	116 Å²	116	88.4 Å²	88.4	61%	0.607	49%	0.49	S	S	*	.	H	α-helix	trans	-62.3	-44.9	177.2	-165.9	83.6	0	0	0	111.2	A25 L26 L32 L33	A25-L29 VanDerWaalsContact O-CB 3.31Å; A25-L29 WeakPolarHBondContact O-CB 3.26Å; A25-L29 PolarHBondContact O-N 2.86Å; L26-L29 PolarHBondContact O-N 2.81Å; L29-L32 PolarHBondContact O-N 2.86Å; L29-L33 VanDerWaalsContact O-CB 3.3Å; L29-L33 WeakPolarHBondContact O-CB 3.15Å; L29-L33 PolarHBondContact O-N 3.03Å
30	A	89.3	Confident	88.7	Confident	51 Å²	51	83.6 Å²	83.6	42%	0.421	46%	0.464	S	S	.	.	H	α-helix	trans	-63.1	-43.3	176.5	0	0	0	0	0	111.6	L26 V27 L33 V34	L26-A30 WeakPolarHBondContact O-CB 3.44Å; L26-A30 PolarHBondContact O-N 3.14Å; V27-A30 PolarHBondContact O-N 3.49Å; A30-L33 PolarHBondContact O-N 3.22Å; A30-V34 VanDerWaalsContact O-CG2 3.32Å; A30-V34 WeakPolarHBondContact O-CG2 3.34Å; A30-V34 PolarHBondContact O-N 3.12Å
31	F	89.1	Confident	88.8	Confident	128 Å²	128	88.8 Å²	88.8	56%	0.561	48%	0.476	S	S	*	.	H	α-helix	trans	-61.2	-45.7	174.7	174.8	-98.8	0	0	0	111.9	V27 L28 L33 V34 R35	V27-F31 WeakPolarHBondContact O-CB 3.43Å; V27-F31 PolarHBondContact O-N 2.9Å; L28-F31 PolarHBondContact O-N 3.33Å; F31-L33 VanDerWaalsContact C-N 3.33Å; F31-L33 PolarHBondContact O-N 2.94Å; F31-V34 PolarHBondContact O-N 2.69Å; F31-R35 VanDerWaalsContact O-CB 3.24Å; F31-R35 WeakPolarHBondContact O-CB 3.49Å; F31-R35 PolarHBondContact O-N 3.36Å
32	L	85.8	Confident	89	Confident	71 Å²	71	87.2 Å²	87.2	37%	0.372	46%	0.462	S	S	.	.	H	α-helix	trans	-63.7	-39.8	177.2	-71.9	174.2	0	0	0	111.8	L28 L29 Q36	L28-L32 HydrophobicContact CG-CD1 4.18Å; L28-L32 WeakPolarHBondContact O-CB 3.24Å; L28-L32 VanDerWaalsContact O-CG 3.25Å; L28-L32 WeakPolarHBondContact O-CG 3.26Å; L28-L32 PolarHBondContact O-N 3.14Å; L29-L32 PolarHBondContact O-N 2.86Å; L32-Q36 VanDerWaalsContact O-CB 3.31Å; L32-Q36 WeakPolarHBondContact O-CB 3.39Å; L32-Q36 PolarHBondContact O-N 2.85Å
33	L	88.2	Confident	89.2	Confident	74 Å²	74	86.4 Å²	86.4	39%	0.387	46%	0.455	S	S	.	.	H	α-helix	trans	-62.1	-52.4	175.3	178.5	62.5	0	0	0	111.1	L29 A30 F31 R35 Q36 L37 I55	L29-L33 VanDerWaalsContact O-CB 3.3Å; L29-L33 WeakPolarHBondContact O-CB 3.15Å; L29-L33 PolarHBondContact O-N 3.03Å; A30-L33 PolarHBondContact O-N 3.22Å; F31-L33 VanDerWaalsContact C-N 3.33Å; F31-L33 PolarHBondContact O-N 2.94Å; L33-R35 VanDerWaalsContact C-N 3.34Å; L33-R35 PolarHBondContact O-N 3.46Å; L33-Q36 WeakPolarHBondContact O-CB 3.22Å; L33-Q36 PolarHBondContact O-N 3.24Å; L33-Q36 VanDerWaalsContact O-N 3.13Å; L33-L37 HydrophobicContact CD1-CD1 4.25Å; L33-L37 HydrophobicContact CD1-CG 4.32Å; L33-L37 HydrophobicContact CG-CD1 4.11Å; L33-L37 VanDerWaalsContact O-CG 3.32Å; L33-L37 WeakPolarHBondContact O-CG 3.5Å; L33-L37 PolarHBondContact O-N 3.16Å; L33-I55 HydrophobicContact CD1-CD1 3.43Å; L33-I55 VanDerWaalsContact CD1-CD1 3.43Å; L33-I55 HydrophobicContact CD1-CG1 3.46Å; L33-I55 VanDerWaalsContact CD1-CG1 3.46Å
34	V	89.6	Confident	89.4	Confident	89 Å²	89	89.3 Å²	89.3	54%	0.539	47%	0.473	S	S	.	.	H	α-helix	trans	-59.7	-46.3	178.1	171.5	0	0	0	0	110.4	A30 F31 Q36 L37 V38	A30-V34 VanDerWaalsContact O-CG2 3.32Å; A30-V34 WeakPolarHBondContact O-CG2 3.34Å; A30-V34 PolarHBondContact O-N 3.12Å; F31-V34 PolarHBondContact O-N 2.69Å; V34-Q36 PolarHBondContact O-N 3.27Å; V34-L37 PolarHBondContact O-N 2.83Å; V34-V38 HydrophobicContact CG1-CG2 4.36Å; V34-V38 WeakPolarHBondContact O-CG2 3.36Å; V34-V38 PolarHBondContact O-N 2.74Å
35	R	87	Confident	89.5	Confident	124 Å²	124	85.8 Å²	85.8	47%	0.468	47%	0.465	S	S	.	.	H	α-helix	trans	-56	-42.8	176.2	-172	-176.8	78.1	154.8	0.7	111.4	F31 L33 K39	F31-R35 VanDerWaalsContact O-CB 3.24Å; F31-R35 WeakPolarHBondContact O-CB 3.49Å; F31-R35 PolarHBondContact O-N 3.36Å; L33-R35 VanDerWaalsContact C-N 3.34Å; L33-R35 PolarHBondContact O-N 3.46Å; R35-K39 WeakPolarHBondContact O-CG 3.3Å; R35-K39 PolarHBondContact O-N 2.92Å; R35-K39 VanDerWaalsContact O-N 3.14Å
36	Q	86.5	Confident	89.9	Confident	13 Å²	13	83.8 Å²	83.8	6%	0.061	45%	0.446	C	S	.	.	H	α-helix	trans	-67.5	-45.5	179	-171.4	65.8	6.5	0	0	111.6	L32 L33 V34 V38 K39 Q40 I55 G86	L32-Q36 VanDerWaalsContact O-CB 3.31Å; L32-Q36 WeakPolarHBondContact O-CB 3.39Å; L32-Q36 PolarHBondContact O-N 2.85Å; L33-Q36 WeakPolarHBondContact O-CB 3.22Å; L33-Q36 PolarHBondContact O-N 3.24Å; L33-Q36 VanDerWaalsContact O-N 3.13Å; V34-Q36 PolarHBondContact O-N 3.27Å; Q36-V38 VanDerWaalsContact C-N 3.3Å; Q36-V38 PolarHBondContact O-N 3.41Å; Q36-K39 WeakPolarHBondContact O-CB 3.14Å; Q36-K39 PolarHBondContact O-N 3.02Å; Q36-K39 VanDerWaalsContact O-N 3.09Å; Q36-Q40 WeakPolarHBondContact O-CG 3.35Å; Q36-Q40 PolarHBondContact O-N 3.39Å; Q36-Q40 VanDerWaalsContact O-N 3.15Å; Q36-I55 HydrophobicContact CG-CB 4.33Å; Q36-I55 HydrophobicContact CG-CG2 4.18Å; Q36-I55 PolarHBondContact NE2-O 2.89Å; Q36-G86 PolarHBondContact NE2-O 3.04Å
37	L	88.3	Confident	90.2	Very high	74 Å²	74	78.4 Å²	78.4	39%	0.387	42%	0.418	S	S	.	.	H	α-helix	trans	-62.1	-37.6	177.7	-66.8	173.9	0	0	0	112.4	L33 V34 K39 Q40 P54	L33-L37 HydrophobicContact CD1-CD1 4.25Å; L33-L37 HydrophobicContact CD1-CG 4.32Å; L33-L37 HydrophobicContact CG-CD1 4.11Å; L33-L37 VanDerWaalsContact O-CG 3.32Å; L33-L37 WeakPolarHBondContact O-CG 3.5Å; L33-L37 PolarHBondContact O-N 3.16Å; V34-L37 PolarHBondContact O-N 2.83Å; L37-K39 VanDerWaalsContact C-N 3.34Å; L37-Q40 PolarHBondContact O-N 3.42Å; L37-P54 HydrophobicContact CD2-CB 3.91Å
38	V	88.8	Confident	90.4	Very high	99 Å²	99	75.9 Å²	75.9	60%	0.6	40%	0.403	S	S	*	.	H	α-helix	trans	-64.2	-39.8	174	174.4	0	0	0	0	111	V34 Q36 Q40 K41	V34-V38 HydrophobicContact CG1-CG2 4.36Å; V34-V38 WeakPolarHBondContact O-CG2 3.36Å; V34-V38 PolarHBondContact O-N 2.74Å; Q36-V38 VanDerWaalsContact C-N 3.3Å; Q36-V38 PolarHBondContact O-N 3.41Å; V38-Q40 VanDerWaalsContact C-N 3.29Å; V38-Q40 PolarHBondContact O-N 3.06Å; V38-K41 WeakPolarHBondContact O-CB 3.5Å; V38-K41 PolarHBondContact O-N 3.25Å
39	K	85.6	Confident	90.8	Very high	105 Å²	105	71.4 Å²	71.4	46%	0.457	38%	0.382	S	S	.	.	H	α-helix	trans	-62.9	-32.6	175.7	-76.9	-174.9	173.4	-168.9	0	113.5	R35 Q36 L37 K41	R35-K39 WeakPolarHBondContact O-CG 3.3Å; R35-K39 PolarHBondContact O-N 2.92Å; R35-K39 VanDerWaalsContact O-N 3.14Å; Q36-K39 WeakPolarHBondContact O-CB 3.14Å; Q36-K39 PolarHBondContact O-N 3.02Å; Q36-K39 VanDerWaalsContact O-N 3.09Å; L37-K39 VanDerWaalsContact C-N 3.34Å; K39-K41 PolarHBondContact O-N 3.45Å
40	Q	89.5	Confident	91.1	Very high	19 Å²	19	66.9 Å²	66.9	9%	0.089	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-13.5	178.4	-61	-171	-58.7	0	0	113	Q36 L37 V38 R42 I53 G57 D84	Q36-Q40 WeakPolarHBondContact O-CG 3.35Å; Q36-Q40 PolarHBondContact O-N 3.39Å; Q36-Q40 VanDerWaalsContact O-N 3.15Å; L37-Q40 PolarHBondContact O-N 3.42Å; V38-Q40 VanDerWaalsContact C-N 3.29Å; V38-Q40 PolarHBondContact O-N 3.06Å; Q40-R42 PolarHBondContact O-N 2.94Å; Q40-I53 PolarHBondContact NE2-O 2.88Å; Q40-G57 VanDerWaalsContact NE2-N 3.13Å; Q40-D84 WeakPolarHBondContact CG-OD2 3.42Å; Q40-D84 PolarHBondContact NE2-OD2 3.41Å
41	K	89.9	Confident	91.2	Very high	169 Å²	169	69.6 Å²	69.6	74%	0.735	38%	0.376	S	S	*	.	S	Bend	trans	-71.5	118.4	-179.7	-169.3	177	179.5	179.3	0	110.1	V38 K39	V38-K41 WeakPolarHBondContact O-CB 3.5Å; V38-K41 PolarHBondContact O-N 3.25Å; K39-K41 PolarHBondContact O-N 3.45Å
42	R	92.6	Very high	91.4	Very high	80 Å²	80	65.4 Å²	65.4	30%	0.302	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-62.2	132.3	174.4	-64.7	179	177.6	114.9	3.4	110.2	Q40 F46 G49 P50 S82	Q40-R42 PolarHBondContact O-N 2.94Å; R42-F46 HydrophobicContact CB-CB 4.43Å; R42-F46 HydrophobicContact CB-CD1 4.25Å; R42-F46 HydrophobicContact CG-CD1 4.17Å; R42-G49 PolarHBondContact NH1-O 3.17Å; R42-G49 PolarHBondContact NH2-O 2.68Å; R42-P50 PolarHBondContact NH2-O 2.88Å; R42-S82 PolarHBondContact NE-OG 2.87Å
43	P	93.2	Very high	91.7	Very high	43 Å²	43	65.9 Å²	65.9	28%	0.279	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-69.6	161.2	174.9	24.1	-26.9	0	0	0	111.5	G45 F46 M89 P401	P43-G45 PolarHBondContact O-N 3.38Å; P43-F46 HydrophobicContact CG-CB 3.91Å; P43-F46 HydrophobicContact CG-CD2 4.16Å; P43-F46 HydrophobicContact CG-CG 4.05Å; P43-F46 WeakPolarHBondContact O-CB 3.31Å; P43-F46 PolarHBondContact O-N 3.29Å; P43-M89 HydrophobicContact CG-CE 3.52Å; P43-M89 HydrophobicContact CG-SD 4.38Å; P43-P401 HydrophobicContact CG-CG 4.15Å
44	P	93.3	Very high	91.8	Very high	128 Å²	128	66.2 Å²	66.2	83%	0.831	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	134.7	177.4	-23.6	34.1	0	0	0	112.1	F46	P44-F46 PolarHBondContact O-N 3.34Å
45	G	94	Very high	91.7	Very high	45 Å²	45	65.2 Å²	65.2	46%	0.464	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	4.4	-180	0	0	0	0	0	115.4	P43 Y398 T399	P43-G45 PolarHBondContact O-N 3.38Å; G45-Y398 CarbonylContact O-C 3.44Å; G45-Y398 WeakPolarHBondContact O-CA 3.5Å; G45-T399 PolarHBondContact O-N 3.43Å
46	F	97.1	Very high	91.8	Very high	17 Å²	17	61.3 Å²	61.3	8%	0.075	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-73.9	150.7	174.6	-159.7	-116.3	0	0	0	111.6	R42 P43 P44 M89 V91 T399 I400 T404	R42-F46 HydrophobicContact CB-CB 4.43Å; R42-F46 HydrophobicContact CB-CD1 4.25Å; R42-F46 HydrophobicContact CG-CD1 4.17Å; P43-F46 HydrophobicContact CG-CB 3.91Å; P43-F46 HydrophobicContact CG-CD2 4.16Å; P43-F46 HydrophobicContact CG-CG 4.05Å; P43-F46 WeakPolarHBondContact O-CB 3.31Å; P43-F46 PolarHBondContact O-N 3.29Å; P44-F46 PolarHBondContact O-N 3.34Å; F46-M89 HydrophobicContact CD1-CE 3.85Å; F46-M89 HydrophobicContact CD2-CE 3.77Å; F46-M89 HydrophobicContact CE1-CE 3.49Å; F46-M89 VanDerWaalsContact CE1-CE 3.49Å; F46-M89 HydrophobicContact CE2-CE 3.45Å; F46-M89 VanDerWaalsContact CE2-CE 3.45Å; F46-M89 HydrophobicContact CG-CE 3.98Å; F46-M89 HydrophobicContact CZ-CB 4.29Å; F46-M89 HydrophobicContact CZ-CE 3.29Å; F46-V91 HydrophobicContact CE1-CG2 4.29Å; F46-V91 HydrophobicContact CE2-CG2 3.83Å; F46-V91 HydrophobicContact CZ-CG2 3.51Å; F46-T399 WeakPolarHBondContact CD2-O 3.42Å; F46-I400 HydrophobicContact CE2-CG2 4.37Å; F46-T404 HydrophobicContact CE2-CG2 4Å; F46-T404 HydrophobicContact CZ-CG2 3.83Å
47	P	97.4	Very high	92.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-56	143.9	-179.7	-25.7	34.3	0	0	0	113.2	I80 S82 V91 Y398	P47-I80 HydrophobicContact CB-CG1 4.29Å; P47-I80 HydrophobicContact CG-CD1 4.11Å; P47-I80 HydrophobicContact CG-CG1 4.01Å; P47-S82 WeakPolarHBondContact O-CB 3.27Å; P47-S82 PolarHBondContact O-OG 3.37Å; P47-V91 HydrophobicContact CG-CG2 4.09Å; P47-Y398 HydrophobicContact CB-CD1 4.4Å; P47-Y398 HydrophobicContact CB-CD2 4.37Å; P47-Y398 HydrophobicContact CB-CG 4.2Å; P47-Y398 HydrophobicContact CG-CD1 4.4Å; P47-Y398 HydrophobicContact CG-CD2 4.26Å; P47-Y398 HydrophobicContact CG-CG 3.89Å
48	P	96.8	Very high	92.4	Very high	46 Å²	46	57.3 Å²	57.3	30%	0.299	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-68.2	173.1	174.8	32.9	-37.4	0	0	0	110.5	F81 S82 Y398	P48-F81 CarbonylContact O-C 3.56Å; P48-F81 WeakPolarHBondContact O-CA 3.15Å; P48-F81 WeakPolarHBondContact O-CB 3.26Å; P48-S82 PolarHBondContact O-N 3.4Å; P48-S82 PolarHBondContact O-OG 3.47Å; P48-Y398 VanDerWaalsContact CD-CE1 3.49Å; P48-Y398 VanDerWaalsContact CD-CZ 3.45Å; P48-Y398 WeakPolarHBondContact CD-OH 3.29Å
49	G	96.2	Very high	92.6	Very high	9 Å²	9	52.8 Å²	52.8	9%	0.093	30%	0.301	C	S	.	.			trans	175.9	179	174	0	0	0	0	0	112.2	R42 S82	R42-G49 PolarHBondContact NH1-O 3.17Å; R42-G49 PolarHBondContact NH2-O 2.68Å; G49-S82 WeakPolarHBondContact CA-O 3.45Å
50	P	94.7	Very high	92.8	Very high	20 Å²	20	53.7 Å²	53.7	13%	0.13	31%	0.305	C	S	.	.	S	Bend	trans	-58.9	148.1	-177.9	25.1	-34.7	0	0	0	111.1	R42 L83	R42-P50 PolarHBondContact NH2-O 2.88Å; P50-L83 HydrophobicContact CG-CD2 3.46Å; P50-L83 VanDerWaalsContact CG-CD2 3.46Å
51	S	91.8	Very high	92.7	Very high	109 Å²	109	54.8 Å²	54.8	76%	0.762	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-62.7	126.1	-180	-64.9	0	0	0	0	110.5	N58	S51-N58 PolarHBondContact O-ND2 3.13Å
52	P	92.8	Very high	92.6	Very high	39 Å²	39	47.6 Å²	47.6	25%	0.253	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-74.2	141	178.4	30.1	-33.7	0	0	0	110.8	D84	P52-D84 HydrophobicContact CB-CB 3.89Å
53	I	91.9	Very high	92	Very high	81 Å²	81	46.9 Å²	46.9	42%	0.415	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-72.2	137.9	168	-55.6	171.1	0	0	0	107.5	Q40 I55 I56 G57	Q40-I53 PolarHBondContact NE2-O 2.88Å; I53-I55 PolarHBondContact O-N 3.3Å; I53-I56 HydrophobicContact CB-CD1 4.04Å; I53-I56 HydrophobicContact CB-CG1 3.85Å; I53-I56 HydrophobicContact CD1-CD1 4.23Å; I53-I56 HydrophobicContact CG2-CD1 3.69Å; I53-I56 HydrophobicContact CG2-CG1 3.8Å; I53-G57 WeakPolarHBondContact CB-O 3.45Å; I53-G57 PolarHBondContact N-O 3.38Å; I53-G57 VanDerWaalsContact O-CA 3.29Å; I53-G57 WeakPolarHBondContact O-CA 3.28Å; I53-G57 PolarHBondContact O-N 3.06Å
54	P	90.2	Very high	91.4	Very high	82 Å²	82	50.1 Å²	50.1	53%	0.532	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.4	136.3	175.9	-32.9	38.2	0	0	0	112.6	L37 I56	L37-P54 HydrophobicContact CD2-CB 3.91Å; P54-I56 PolarHBondContact O-N 3.5Å
55	I	87.8	Confident	91	Very high	68 Å²	68	47.4 Å²	47.4	35%	0.349	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	-58.7	178.9	-52.8	168.9	0	0	0	114.2	L33 Q36 I53 G86 F236	L33-I55 HydrophobicContact CD1-CD1 3.43Å; L33-I55 VanDerWaalsContact CD1-CD1 3.43Å; L33-I55 HydrophobicContact CD1-CG1 3.46Å; L33-I55 VanDerWaalsContact CD1-CG1 3.46Å; Q36-I55 HydrophobicContact CG-CB 4.33Å; Q36-I55 HydrophobicContact CG-CG2 4.18Å; Q36-I55 PolarHBondContact NE2-O 2.89Å; I53-I55 PolarHBondContact O-N 3.3Å; I55-G86 WeakPolarHBondContact O-CA 3.35Å; I55-F236 HydrophobicContact CG2-CE1 4.22Å; I55-F236 HydrophobicContact CG2-CZ 3.71Å
56	I	90.3	Very high	91	Very high	41 Å²	41	46 Å²	46	21%	0.21	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-17.6	-169.5	53.4	177.2	0	0	0	113.8	I53 P54 I59 F60 G86	I53-I56 HydrophobicContact CB-CD1 4.04Å; I53-I56 HydrophobicContact CB-CG1 3.85Å; I53-I56 HydrophobicContact CD1-CD1 4.23Å; I53-I56 HydrophobicContact CG2-CD1 3.69Å; I53-I56 HydrophobicContact CG2-CG1 3.8Å; P54-I56 PolarHBondContact O-N 3.5Å; I56-I59 WeakPolarHBondContact O-CD1 3.18Å; I56-I59 VanDerWaalsContact O-CG1 3.27Å; I56-I59 WeakPolarHBondContact O-CG1 3.4Å; I56-F60 HydrophobicContact CB-CE2 4.27Å; I56-F60 HydrophobicContact CD1-CD2 3.5Å; I56-F60 HydrophobicContact CD1-CE2 3.43Å; I56-F60 VanDerWaalsContact CD1-CE2 3.43Å; I56-F60 HydrophobicContact CG1-CD2 4.37Å; I56-F60 HydrophobicContact CG1-CE2 4.35Å; I56-F60 HydrophobicContact CG2-CE2 4.35Å; I56-G86 PolarHBondContact O-N 3.32Å
57	G	93.4	Very high	90.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	68.6	-130.5	179.1	0	0	0	0	0	112.7	Q40 I53 D84	Q40-G57 VanDerWaalsContact NE2-N 3.13Å; I53-G57 WeakPolarHBondContact CB-O 3.45Å; I53-G57 PolarHBondContact N-O 3.38Å; I53-G57 VanDerWaalsContact O-CA 3.29Å; I53-G57 WeakPolarHBondContact O-CA 3.28Å; I53-G57 PolarHBondContact O-N 3.06Å; G57-D84 CarbonylContact C-O 3.38Å; G57-D84 WeakPolarHBondContact CA-O 3.45Å; G57-D84 WeakPolarHBondContact CA-OD2 3.3Å
58	N	94.1	Very high	90.8	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.016	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	13.9	-178.6	-54.4	113	0	0	0	112.8	S51 F60 S61 L62 L83 D84	S51-N58 PolarHBondContact O-ND2 3.13Å; N58-F60 VanDerWaalsContact C-N 3.32Å; N58-F60 PolarHBondContact O-N 2.87Å; N58-S61 VanDerWaalsContact O-CB 3.3Å; N58-S61 WeakPolarHBondContact O-CB 3.46Å; N58-S61 PolarHBondContact O-N 2.85Å; N58-L62 PolarHBondContact O-N 3.44Å; N58-L83 HydrophobicContact CB-CD2 3.92Å; N58-D84 PolarHBondContact N-O 3.28Å; N58-D84 PolarHBondContact OD1-N 3.27Å
59	I	92.6	Very high	90.7	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.026	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-46.1	-177.4	-69.5	173.1	0	0	0	111.5	I56 S61 L62 L85 L231 L232 A235	I56-I59 WeakPolarHBondContact O-CD1 3.18Å; I56-I59 VanDerWaalsContact O-CG1 3.27Å; I56-I59 WeakPolarHBondContact O-CG1 3.4Å; I59-S61 VanDerWaalsContact C-N 3.28Å; I59-S61 PolarHBondContact O-N 3.4Å; I59-L62 PolarHBondContact O-N 3.21Å; I59-L62 VanDerWaalsContact O-N 3.13Å; I59-L85 HydrophobicContact CG1-CB 4.24Å; I59-L85 HydrophobicContact CG1-CD2 4.23Å; I59-L231 HydrophobicContact CD1-CB 4.38Å; I59-L231 HydrophobicContact CG1-CB 4.35Å; I59-L231 HydrophobicContact CG2-CB 3.93Å; I59-L231 HydrophobicContact CG2-CD1 4.09Å; I59-L232 HydrophobicContact CD1-CD2 4.2Å; I59-A235 HydrophobicContact CD1-CB 4.25Å
60	F	88.9	Confident	90.7	Very high	123 Å²	123	46 Å²	46	54%	0.539	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-69.8	-25.6	180	-70.5	-82	0	0	0	113.4	I56 N58 L62 A63	I56-F60 HydrophobicContact CB-CE2 4.27Å; I56-F60 HydrophobicContact CD1-CD2 3.5Å; I56-F60 HydrophobicContact CD1-CE2 3.43Å; I56-F60 VanDerWaalsContact CD1-CE2 3.43Å; I56-F60 HydrophobicContact CG1-CD2 4.37Å; I56-F60 HydrophobicContact CG1-CE2 4.35Å; I56-F60 HydrophobicContact CG2-CE2 4.35Å; N58-F60 VanDerWaalsContact C-N 3.32Å; N58-F60 PolarHBondContact O-N 2.87Å; F60-L62 PolarHBondContact O-N 3.16Å; F60-A63 VanDerWaalsContact O-CB 3.26Å; F60-A63 WeakPolarHBondContact O-CB 3.37Å; F60-A63 PolarHBondContact O-N 2.61Å; F60-A63 VanDerWaalsContact O-N 3.12Å
61	S	88.5	Confident	90.8	Very high	43 Å²	43	47 Å²	47	30%	0.301	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-65	-20.6	173.7	-47.7	0	0	0	0	112.1	N58 I59	N58-S61 VanDerWaalsContact O-CB 3.3Å; N58-S61 WeakPolarHBondContact O-CB 3.46Å; N58-S61 PolarHBondContact O-N 2.85Å; I59-S61 VanDerWaalsContact C-N 3.28Å; I59-S61 PolarHBondContact O-N 3.4Å
62	L	87.8	Confident	91.1	Very high	18 Å²	18	49.4 Å²	49.4	9%	0.094	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-93.4	8.3	176.3	-57.3	-179.1	0	0	0	113.4	N58 I59 F60 T64 P66 F69 L70 L83 L85 L231	N58-L62 PolarHBondContact O-N 3.44Å; I59-L62 PolarHBondContact O-N 3.21Å; I59-L62 VanDerWaalsContact O-N 3.13Å; F60-L62 PolarHBondContact O-N 3.16Å; L62-T64 VanDerWaalsContact C-N 3.31Å; L62-T64 PolarHBondContact O-N 3.44Å; L62-P66 HydrophobicContact CD2-CB 4.32Å; L62-P66 WeakPolarHBondContact O-CG 3.48Å; L62-F69 HydrophobicContact CD2-CD1 3.67Å; L62-F69 HydrophobicContact CD2-CE1 3.97Å; L62-L70 HydrophobicContact CD2-CD2 3.99Å; L62-L70 HydrophobicContact CD2-CG 4.24Å; L62-L83 HydrophobicContact CD1-CD1 4.42Å; L62-L83 HydrophobicContact CD2-CD1 4.2Å; L62-L85 HydrophobicContact CD1-CD1 4.32Å; L62-L85 HydrophobicContact CD1-CD2 3.6Å; L62-L231 HydrophobicContact CD1-CD1 4.44Å
63	A	79.1	Confident	91.3	Very high	65 Å²	65	49.3 Å²	49.3	54%	0.537	26%	0.259	S	S	.	.	S	Bend	trans	-67.9	-28.1	-175.3	0	0	0	0	0	113.8	F60	F60-A63 VanDerWaalsContact O-CB 3.26Å; F60-A63 WeakPolarHBondContact O-CB 3.37Å; F60-A63 PolarHBondContact O-N 2.61Å; F60-A63 VanDerWaalsContact O-N 3.12Å
64	T	80.2	Confident	91.5	Very high	110 Å²	110	46.4 Å²	46.4	68%	0.675	25%	0.246	S	C	*	.	S	Bend	trans	-124.9	118.4	-176.1	-47.4	0	0	0	0	110.1	L62	L62-T64 VanDerWaalsContact C-N 3.31Å; L62-T64 PolarHBondContact O-N 3.44Å
65	E	86.5	Confident	91.7	Very high	71 Å²	71	48.5 Å²	48.5	33%	0.332	25%	0.249	S	C	.	.			trans	41.5	67.7	177.5	-62.2	-177	119	0	0	113.9	H67 V68 F69	E65-H67 VanDerWaalsContact C-N 3.25Å; E65-H67 PolarHBondContact O-N 3.03Å; E65-H67 VanDerWaalsContact O-N 3.07Å; E65-V68 HydrophobicContact CB-CB 4.15Å; E65-V68 HydrophobicContact CB-CG2 4.05Å; E65-V68 PolarHBondContact O-N 2.78Å; E65-F69 PolarHBondContact O-N 3.03Å; E65-F69 VanDerWaalsContact O-N 3.11Å
66	P	92.8	Very high	92.2	Very high	15 Å²	15	50.4 Å²	50.4	10%	0.097	26%	0.263	C	S	.	.	H	α-helix	trans	-48.7	-44.1	-172.7	-25	29.4	0	0	0	113.4	L62 V68 F69 L70 L383 L491	L62-P66 HydrophobicContact CD2-CB 4.32Å; L62-P66 WeakPolarHBondContact O-CG 3.48Å; P66-V68 PolarHBondContact O-N 2.95Å; P66-F69 PolarHBondContact O-N 3.21Å; P66-L70 WeakPolarHBondContact O-CB 3.18Å; P66-L70 WeakPolarHBondContact O-CG 3.48Å; P66-L70 PolarHBondContact O-N 3.48Å; P66-L383 HydrophobicContact CB-CD1 3.99Å; P66-L491 HydrophobicContact CG-CD1 3.97Å; P66-L491 HydrophobicContact CG-CD2 4.46Å
67	H	94.9	Very high	92.5	Very high	9 Å²	9	50.8 Å²	50.8	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-64.7	-35.3	-177.6	56.9	-83.3	0	0	0	113.8	E65 K71 P382 L383 N409 Y411	E65-H67 VanDerWaalsContact C-N 3.25Å; E65-H67 PolarHBondContact O-N 3.03Å; E65-H67 VanDerWaalsContact O-N 3.07Å; H67-K71 PolarHBondContact O-N 2.91Å; H67-P382 HydrophobicContact CB-CB 3.87Å; H67-P382 HydrophobicContact CB-CG 4.43Å; H67-L383 HydrophobicContact CB-CD2 3.73Å; H67-L383 HydrophobicContact CB-CG 4.14Å; H67-N409 PolarHBondContact O-ND2 3.05Å; H67-Y411 HydrophobicContact CB-CD1 4.22Å; H67-Y411 HydrophobicContact CB-CG 4.19Å; H67-Y411 AromaticContact CD2-CD1 3.79Å; H67-Y411 AromaticContact CD2-CD2 3.67Å; H67-Y411 AromaticContact CD2-CG 3.55Å
68	V	95	Very high	92.6	Very high	23 Å²	23	52.4 Å²	52.4	14%	0.139	28%	0.281	C	S	.	.	H	α-helix	trans	-70.6	-46.7	174.5	-179.3	0	0	0	0	110.1	E65 P66 L70 K71 R72 Y411	E65-V68 HydrophobicContact CB-CB 4.15Å; E65-V68 HydrophobicContact CB-CG2 4.05Å; E65-V68 PolarHBondContact O-N 2.78Å; P66-V68 PolarHBondContact O-N 2.95Å; V68-L70 VanDerWaalsContact C-N 3.32Å; V68-L70 PolarHBondContact O-N 2.99Å; V68-K71 PolarHBondContact O-N 3.12Å; V68-R72 WeakPolarHBondContact O-CG 3.33Å; V68-R72 PolarHBondContact O-N 2.85Å; V68-Y411 HydrophobicContact CG2-CE1 4.28Å
69	F	95.5	Very high	92.7	Very high	40 Å²	40	55.3 Å²	55.3	18%	0.175	29%	0.294	C	S	.	.	H	α-helix	trans	-56	-48.5	174.8	169.3	-98.2	0	0	0	111.1	L62 E65 P66 K71 R72 Q73	L62-F69 HydrophobicContact CD2-CD1 3.67Å; L62-F69 HydrophobicContact CD2-CE1 3.97Å; E65-F69 PolarHBondContact O-N 3.03Å; E65-F69 VanDerWaalsContact O-N 3.11Å; P66-F69 PolarHBondContact O-N 3.21Å; F69-K71 PolarHBondContact O-N 3.09Å; F69-R72 WeakPolarHBondContact O-CB 3.25Å; F69-R72 PolarHBondContact O-N 2.98Å; F69-R72 VanDerWaalsContact O-N 3.16Å; F69-Q73 HydrophobicContact CD1-CG 4.13Å; F69-Q73 HydrophobicContact CD2-CG 4.25Å; F69-Q73 HydrophobicContact CE1-CG 3.63Å; F69-Q73 HydrophobicContact CE2-CG 3.75Å; F69-Q73 HydrophobicContact CG-CG 4.43Å; F69-Q73 HydrophobicContact CZ-CG 3.41Å; F69-Q73 VanDerWaalsContact CZ-CG 3.41Å; F69-Q73 WeakPolarHBondContact O-CG 3.41Å; F69-Q73 PolarHBondContact O-N 3.47Å
70	L	97	Very high	93	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-62.4	-39.2	-179.9	-69.4	177.4	0	0	0	112.4	L62 P66 V68 Q73 S74 F81 L83 V92 L383 I407	L62-L70 HydrophobicContact CD2-CD2 3.99Å; L62-L70 HydrophobicContact CD2-CG 4.24Å; P66-L70 WeakPolarHBondContact O-CB 3.18Å; P66-L70 WeakPolarHBondContact O-CG 3.48Å; P66-L70 PolarHBondContact O-N 3.48Å; V68-L70 VanDerWaalsContact C-N 3.32Å; V68-L70 PolarHBondContact O-N 2.99Å; L70-Q73 PolarHBondContact O-N 2.78Å; L70-S74 PolarHBondContact O-N 2.93Å; L70-S74 VanDerWaalsContact O-N 3.08Å; L70-F81 HydrophobicContact CB-CZ 4.36Å; L70-F81 HydrophobicContact CD2-CE2 4.09Å; L70-F81 HydrophobicContact CD2-CZ 3.69Å; L70-F81 WeakPolarHBondContact O-CE1 3.32Å; L70-L83 HydrophobicContact CD2-CD1 3.52Å; L70-V92 HydrophobicContact CB-CG1 4.26Å; L70-V92 HydrophobicContact CD1-CG1 4.06Å; L70-V92 HydrophobicContact CD2-CG1 4.15Å; L70-V92 HydrophobicContact CD2-CG2 3.92Å; L70-V92 HydrophobicContact CG-CG1 4.38Å; L70-L383 HydrophobicContact CD1-CD1 3.94Å; L70-L383 HydrophobicContact CD1-CD2 3.72Å; L70-I407 HydrophobicContact CD1-CG2 4.22Å
71	K	96.6	Very high	93.4	Very high	42 Å²	42	49.4 Å²	49.4	18%	0.183	27%	0.268	C	S	.	.	H	α-helix	trans	-61	-47.6	172.7	-178.1	-177.8	178.4	-72.8	0	110.9	H67 V68 F69 Q73 S74 E75 N409 Y411 F415	H67-K71 PolarHBondContact O-N 2.91Å; V68-K71 PolarHBondContact O-N 3.12Å; F69-K71 PolarHBondContact O-N 3.09Å; K71-Q73 VanDerWaalsContact C-N 3.32Å; K71-Q73 PolarHBondContact O-N 2.98Å; K71-S74 WeakPolarHBondContact O-CB 3.43Å; K71-S74 PolarHBondContact O-N 2.82Å; K71-S74 PolarHBondContact O-OG 3.35Å; K71-E75 IonicContact NZ-OE1 3.72Å; K71-E75 PolarHBondContact NZ-OE1 3.04Å; K71-E75 PolarHBondContact O-N 2.89Å; K71-N409 PolarHBondContact N-ND2 2.75Å; K71-Y411 HydrophobicContact CB-CD1 4.32Å; K71-Y411 HydrophobicContact CB-CE1 4.12Å; K71-Y411 HydrophobicContact CD-CD1 4.35Å; K71-Y411 HydrophobicContact CD-CE1 3.72Å; K71-F415 HydrophobicContact CD-CB 4.36Å
72	R	96.4	Very high	93.9	Very high	158 Å²	158	47.4 Å²	47.4	60%	0.596	25%	0.254	S	S	*	.	H	α-helix	trans	-60.5	-40.1	177.7	-68.9	178.2	-175	171.1	3.1	112.3	V68 F69 S74 E75	V68-R72 WeakPolarHBondContact O-CG 3.33Å; V68-R72 PolarHBondContact O-N 2.85Å; F69-R72 WeakPolarHBondContact O-CB 3.25Å; F69-R72 PolarHBondContact O-N 2.98Å; F69-R72 VanDerWaalsContact O-N 3.16Å; R72-S74 PolarHBondContact O-N 3.46Å; R72-E75 WeakPolarHBondContact O-CB 3.37Å; R72-E75 PolarHBondContact O-N 2.74Å
73	Q	97.1	Very high	94.3	Very high	37 Å²	37	46.8 Å²	46.8	17%	0.173	25%	0.251	C	S	.	.	H	α-helix	trans	-64.8	-29.8	175.4	-66	-50.1	-66.6	0	0	112.5	F69 L70 K71 E75 V76 H77 F81	F69-Q73 HydrophobicContact CD1-CG 4.13Å; F69-Q73 HydrophobicContact CD2-CG 4.25Å; F69-Q73 HydrophobicContact CE1-CG 3.63Å; F69-Q73 HydrophobicContact CE2-CG 3.75Å; F69-Q73 HydrophobicContact CG-CG 4.43Å; F69-Q73 HydrophobicContact CZ-CG 3.41Å; F69-Q73 VanDerWaalsContact CZ-CG 3.41Å; F69-Q73 WeakPolarHBondContact O-CG 3.41Å; F69-Q73 PolarHBondContact O-N 3.47Å; L70-Q73 PolarHBondContact O-N 2.78Å; K71-Q73 VanDerWaalsContact C-N 3.32Å; K71-Q73 PolarHBondContact O-N 2.98Å; Q73-E75 VanDerWaalsContact C-N 3.27Å; Q73-E75 PolarHBondContact O-N 2.97Å; Q73-V76 PolarHBondContact O-N 3.24Å; Q73-H77 PolarHBondContact O-N 3.33Å; Q73-F81 HydrophobicContact CB-CE1 3.91Å; Q73-F81 HydrophobicContact CB-CE2 3.84Å; Q73-F81 HydrophobicContact CB-CZ 3.49Å; Q73-F81 VanDerWaalsContact CB-CZ 3.49Å; Q73-F81 HydrophobicContact CG-CZ 4.41Å
74	S	96.9	Very high	95.1	Very high	20 Å²	20	44.1 Å²	44.1	14%	0.14	23%	0.227	C	C	.	.	H	α-helix	trans	-68.9	-24.6	175.6	80.2	0	0	0	0	113.5	L70 K71 R72 V76 G78	L70-S74 PolarHBondContact O-N 2.93Å; L70-S74 VanDerWaalsContact O-N 3.08Å; K71-S74 WeakPolarHBondContact O-CB 3.43Å; K71-S74 PolarHBondContact O-N 2.82Å; K71-S74 PolarHBondContact O-OG 3.35Å; R72-S74 PolarHBondContact O-N 3.46Å; S74-V76 VanDerWaalsContact C-N 3.28Å; S74-G78 VanDerWaalsContact CA-O 3.31Å; S74-G78 WeakPolarHBondContact CA-O 3.42Å; S74-G78 WeakPolarHBondContact CB-O 3.27Å; S74-G78 CarbonylContact O-C 3.53Å; S74-G78 WeakPolarHBondContact O-CA 3.4Å; S74-G78 PolarHBondContact O-N 3.19Å
75	E	95.4	Very high	95.8	Very high	127 Å²	127	39.1 Å²	39.1	59%	0.593	20%	0.197	S	C	*	.	H	α-helix	trans	-71.8	-25.9	174.7	-65.1	160.5	-171.4	0	0	111.3	K71 R72 Q73	K71-E75 IonicContact NZ-OE1 3.72Å; K71-E75 PolarHBondContact NZ-OE1 3.04Å; K71-E75 PolarHBondContact O-N 2.89Å; R72-E75 WeakPolarHBondContact O-CB 3.37Å; R72-E75 PolarHBondContact O-N 2.74Å; Q73-E75 VanDerWaalsContact C-N 3.27Å; Q73-E75 PolarHBondContact O-N 2.97Å
76	V	96.8	Very high	96.1	Very high	107 Å²	107	35.9 Å²	35.9	65%	0.648	18%	0.182	S	C	*	.	H	α-helix	trans	-93	-44	178.6	-178.8	0	0	0	0	112.3	Q73 S74	Q73-V76 PolarHBondContact O-N 3.24Å; S74-V76 VanDerWaalsContact C-N 3.28Å
77	H	96.4	Very high	96.1	Very high	50 Å²	50	35.9 Å²	35.9	23%	0.231	19%	0.185	C	C	.	.	H	α-helix	trans	-103.6	-3	-171.4	-62.7	-62.4	0	0	0	113.9	Q73 F81	Q73-H77 PolarHBondContact O-N 3.33Å; H77-F81 HydrophobicContact CB-CB 3.6Å; H77-F81 HydrophobicContact CB-CG 4.2Å
78	G	96.6	Very high	96.1	Very high	34 Å²	34	37.3 Å²	37.3	35%	0.351	19%	0.193	S	C	.	.			trans	89.5	176.6	-176.1	0	0	0	0	0	113.5	S74 I80	S74-G78 VanDerWaalsContact CA-O 3.31Å; S74-G78 WeakPolarHBondContact CA-O 3.42Å; S74-G78 WeakPolarHBondContact CB-O 3.27Å; S74-G78 CarbonylContact O-C 3.53Å; S74-G78 WeakPolarHBondContact O-CA 3.4Å; S74-G78 PolarHBondContact O-N 3.19Å; G78-I80 PolarHBondContact O-N 3.43Å; G78-I80 VanDerWaalsContact O-N 3.11Å
79	Q	96.6	Very high	96.1	Very high	63 Å²	63	38.7 Å²	38.7	29%	0.294	20%	0.198	S	C	.	.	S	Bend	trans	-60.1	-24.8	-174.6	-74.1	-179.1	-29.4	0	0	114.3	N94 C98	Q79-N94 WeakPolarHBondContact CB-O 3.34Å; Q79-N94 PolarHBondContact O-N 2.9Å; Q79-N94 PolarHBondContact O-ND2 2.96Å; Q79-C98 HydrophobicContact CB-CB 4.11Å
80	I	97.9	Very high	96.2	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.026	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.2	175.3	-175.1	171.5	0	0	0	109.7	P47 G78 V91 V92 L93 V395 K396 Y398 I400	P47-I80 HydrophobicContact CB-CG1 4.29Å; P47-I80 HydrophobicContact CG-CD1 4.11Å; P47-I80 HydrophobicContact CG-CG1 4.01Å; G78-I80 PolarHBondContact O-N 3.43Å; G78-I80 VanDerWaalsContact O-N 3.11Å; I80-V91 HydrophobicContact CD1-CG1 3.78Å; I80-V91 HydrophobicContact CG1-CG1 3.6Å; I80-V92 WeakPolarHBondContact CA-O 3.4Å; I80-L93 HydrophobicContact CD1-CD2 3.98Å; I80-L93 HydrophobicContact CG1-CD2 4.12Å; I80-V395 HydrophobicContact CD1-CB 3.9Å; I80-V395 HydrophobicContact CD1-CG1 3.76Å; I80-K396 HydrophobicContact CG2-CB 4.28Å; I80-K396 HydrophobicContact CG2-CD 4.36Å; I80-Y398 HydrophobicContact CG2-CD2 3.57Å; I80-Y398 HydrophobicContact CG2-CE2 3.67Å; I80-I400 HydrophobicContact CD1-CD1 3.88Å
81	F	98.1	Very high	96.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	168.7	177.5	72.4	-93.5	0	0	0	110.5	P48 L70 Q73 H77 L83 V91 V92 N94	P48-F81 CarbonylContact O-C 3.56Å; P48-F81 WeakPolarHBondContact O-CA 3.15Å; P48-F81 WeakPolarHBondContact O-CB 3.26Å; L70-F81 HydrophobicContact CB-CZ 4.36Å; L70-F81 HydrophobicContact CD2-CE2 4.09Å; L70-F81 HydrophobicContact CD2-CZ 3.69Å; L70-F81 WeakPolarHBondContact O-CE1 3.32Å; Q73-F81 HydrophobicContact CB-CE1 3.91Å; Q73-F81 HydrophobicContact CB-CE2 3.84Å; Q73-F81 HydrophobicContact CB-CZ 3.49Å; Q73-F81 VanDerWaalsContact CB-CZ 3.49Å; Q73-F81 HydrophobicContact CG-CZ 4.41Å; H77-F81 HydrophobicContact CB-CB 3.6Å; H77-F81 HydrophobicContact CB-CG 4.2Å; F81-L83 HydrophobicContact CD2-CD2 4.44Å; F81-L83 HydrophobicContact CD2-CG 4.47Å; F81-L83 HydrophobicContact CE2-CD1 4.39Å; F81-L83 HydrophobicContact CE2-CD2 3.93Å; F81-L83 HydrophobicContact CE2-CG 3.95Å; F81-V91 WeakPolarHBondContact O-CA 3.48Å; F81-V92 HydrophobicContact CD1-CB 4.33Å; F81-V92 HydrophobicContact CD2-CG2 4.47Å; F81-V92 HydrophobicContact CE1-CB 3.94Å; F81-V92 HydrophobicContact CE1-CG1 4.09Å; F81-V92 HydrophobicContact CE2-CB 4.12Å; F81-V92 HydrophobicContact CE2-CG2 3.92Å; F81-V92 HydrophobicContact CZ-CB 3.81Å; F81-V92 HydrophobicContact CZ-CG1 4.02Å; F81-V92 HydrophobicContact CZ-CG2 3.98Å; F81-V92 PolarHBondContact N-O 2.99Å; F81-V92 PolarHBondContact O-N 2.97Å; F81-N94 VanDerWaalsContact CE1-ND2 3.25Å; F81-N94 WeakPolarHBondContact CE1-ND2 3.28Å
82	S	97.8	Very high	96.3	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.007	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	152.1	-177.5	67.2	0	0	0	0	114	R42 P47 P48 G49 T90	R42-S82 PolarHBondContact NE-OG 2.87Å; P47-S82 WeakPolarHBondContact O-CB 3.27Å; P47-S82 PolarHBondContact O-OG 3.37Å; P48-S82 PolarHBondContact O-N 3.4Å; P48-S82 PolarHBondContact O-OG 3.47Å; G49-S82 WeakPolarHBondContact CA-O 3.45Å; S82-T90 CarbonylContact C-O 3.45Å; S82-T90 WeakPolarHBondContact CA-O 3.48Å; S82-T90 WeakPolarHBondContact CB-O 3.44Å
83	L	97.3	Very high	96.4	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.1	171.2	-65.6	179.1	0	0	0	109.6	P50 N58 L62 L70 F81 L85 T90 V92	P50-L83 HydrophobicContact CG-CD2 3.46Å; P50-L83 VanDerWaalsContact CG-CD2 3.46Å; N58-L83 HydrophobicContact CB-CD2 3.92Å; L62-L83 HydrophobicContact CD1-CD1 4.42Å; L62-L83 HydrophobicContact CD2-CD1 4.2Å; L70-L83 HydrophobicContact CD2-CD1 3.52Å; F81-L83 HydrophobicContact CD2-CD2 4.44Å; F81-L83 HydrophobicContact CD2-CG 4.47Å; F81-L83 HydrophobicContact CE2-CD1 4.39Å; F81-L83 HydrophobicContact CE2-CD2 3.93Å; F81-L83 HydrophobicContact CE2-CG 3.95Å; L83-L85 HydrophobicContact CB-CD2 4.42Å; L83-T90 PolarHBondContact N-O 2.98Å; L83-T90 PolarHBondContact O-N 3.27Å; L83-V92 HydrophobicContact CD1-CG2 3.98Å; L83-V92 HydrophobicContact CG-CG2 4.2Å
84	D	96.2	Very high	96.5	Very high	9 Å²	9	25.5 Å²	25.5	5%	0.048	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.8	163.7	178.3	69	0	0	0	108.9	Q40 P52 G57 N58 G86 G87	Q40-D84 WeakPolarHBondContact CG-OD2 3.42Å; Q40-D84 PolarHBondContact NE2-OD2 3.41Å; P52-D84 HydrophobicContact CB-CB 3.89Å; G57-D84 CarbonylContact C-O 3.38Å; G57-D84 WeakPolarHBondContact CA-O 3.45Å; G57-D84 WeakPolarHBondContact CA-OD2 3.3Å; N58-D84 PolarHBondContact N-O 3.28Å; N58-D84 PolarHBondContact OD1-N 3.27Å; D84-G86 PolarHBondContact OD2-N 3.43Å; D84-G87 WeakPolarHBondContact OD1-CA 3.34Å; D84-G87 PolarHBondContact OD1-N 3.34Å; D84-G87 PolarHBondContact OD2-N 3.06Å
85	L	94.8	Very high	96.5	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.031	14%	0.14	C	C	.	.	S	Bend	trans	-109	71	176.4	-59.1	-177.9	0	0	0	109.6	I59 L62 L83 I88 T90 M405	I59-L85 HydrophobicContact CG1-CB 4.24Å; I59-L85 HydrophobicContact CG1-CD2 4.23Å; L62-L85 HydrophobicContact CD1-CD1 4.32Å; L62-L85 HydrophobicContact CD1-CD2 3.6Å; L83-L85 HydrophobicContact CB-CD2 4.42Å; L85-I88 HydrophobicContact CB-CB 4.34Å; L85-I88 PolarHBondContact N-O 2.66Å; L85-I88 PolarHBondContact O-N 3.37Å; L85-T90 HydrophobicContact CD1-CG2 4.43Å; L85-M405 HydrophobicContact CD1-CE 3.58Å
86	G	92.4	Very high	96.7	Very high	2 Å²	2	19.4 Å²	19.4	2%	0.021	12%	0.115	C	C	.	.	S	Bend	trans	64.6	45.8	-178.2	0	0	0	0	0	112.5	Q36 I55 I56 D84 A235	Q36-G86 PolarHBondContact NE2-O 3.04Å; I55-G86 WeakPolarHBondContact O-CA 3.35Å; I56-G86 PolarHBondContact O-N 3.32Å; D84-G86 PolarHBondContact OD2-N 3.43Å; G86-A235 WeakPolarHBondContact O-CB 3.4Å
87	G	91.8	Very high	96.8	Very high	16 Å²	16	16.7 Å²	16.7	17%	0.165	10%	0.096	C	C	.	.	S	Bend	trans	86.8	1.5	-177.7	0	0	0	0	0	114.5	D84	D84-G87 WeakPolarHBondContact OD1-CA 3.34Å; D84-G87 PolarHBondContact OD1-N 3.34Å; D84-G87 PolarHBondContact OD2-N 3.06Å
88	I	94.6	Very high	96.8	Very high	38 Å²	38	14.3 Å²	14.3	20%	0.195	9%	0.085	C	C	.	.			trans	-93.3	107.8	170.8	-56.1	170.6	0	0	0	108.6	L85 T90 L116 N234 M405	L85-I88 HydrophobicContact CB-CB 4.34Å; L85-I88 PolarHBondContact N-O 2.66Å; L85-I88 PolarHBondContact O-N 3.37Å; I88-T90 PolarHBondContact O-N 3.03Å; I88-T90 PolarHBondContact O-OG1 2.81Å; I88-L116 HydrophobicContact CD1-CD2 4Å; I88-L116 HydrophobicContact CG2-CD2 4.4Å; I88-N234 HydrophobicContact CD1-CB 4.01Å; I88-M405 HydrophobicContact CG2-CB 4.48Å
89	M	95.1	Very high	96.9	Very high	52 Å²	52	12.7 Å²	12.7	26%	0.256	7%	0.069	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	123.7	176.1	-69.2	179.1	56.6	0	0	111	P43 F46 M405	P43-M89 HydrophobicContact CG-CE 3.52Å; P43-M89 HydrophobicContact CG-SD 4.38Å; F46-M89 HydrophobicContact CD1-CE 3.85Å; F46-M89 HydrophobicContact CD2-CE 3.77Å; F46-M89 HydrophobicContact CE1-CE 3.49Å; F46-M89 VanDerWaalsContact CE1-CE 3.49Å; F46-M89 HydrophobicContact CE2-CE 3.45Å; F46-M89 VanDerWaalsContact CE2-CE 3.45Å; F46-M89 HydrophobicContact CG-CE 3.98Å; F46-M89 HydrophobicContact CZ-CB 4.29Å; F46-M89 HydrophobicContact CZ-CE 3.29Å; M89-M405 PolarHBondContact O-N 3.34Å; M89-M405 VanDerWaalsContact O-N 3.13Å
90	T	97.7	Very high	97	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136.4	-175.3	-53.3	0	0	0	0	110.4	S82 L83 L85 I88 M405 I407	S82-T90 CarbonylContact C-O 3.45Å; S82-T90 WeakPolarHBondContact CA-O 3.48Å; S82-T90 WeakPolarHBondContact CB-O 3.44Å; L83-T90 PolarHBondContact N-O 2.98Å; L83-T90 PolarHBondContact O-N 3.27Å; L85-T90 HydrophobicContact CD1-CG2 4.43Å; I88-T90 PolarHBondContact O-N 3.03Å; I88-T90 PolarHBondContact O-OG1 2.81Å; T90-M405 CarbonylContact C-O 3.58Å; T90-M405 VanDerWaalsContact CA-O 3.28Å; T90-M405 WeakPolarHBondContact CA-O 3.37Å; T90-M405 HydrophobicContact CG2-CB 4.35Å; T90-M405 HydrophobicContact CG2-CE 3.53Å; T90-M405 HydrophobicContact CG2-CG 4.38Å; T90-M405 VanDerWaalsContact OG1-CE 3.27Å; T90-M405 WeakPolarHBondContact OG1-CE 3.42Å; T90-I407 HydrophobicContact CG2-CD1 3.64Å; T90-I407 HydrophobicContact CG2-CG1 3.74Å
91	V	98.4	Very high	97	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	141.1	170.1	170.7	0	0	0	0	109.2	F46 P47 I80 F81 L93 I400 T404 M405 V406 I407	F46-V91 HydrophobicContact CE1-CG2 4.29Å; F46-V91 HydrophobicContact CE2-CG2 3.83Å; F46-V91 HydrophobicContact CZ-CG2 3.51Å; P47-V91 HydrophobicContact CG-CG2 4.09Å; I80-V91 HydrophobicContact CD1-CG1 3.78Å; I80-V91 HydrophobicContact CG1-CG1 3.6Å; F81-V91 WeakPolarHBondContact O-CA 3.48Å; V91-L93 HydrophobicContact CG1-CD2 4Å; V91-I400 HydrophobicContact CG1-CD1 4.31Å; V91-I400 HydrophobicContact CG2-CG2 4.19Å; V91-T404 HydrophobicContact CB-CG2 4.4Å; V91-T404 HydrophobicContact CG2-CG2 3.83Å; V91-M405 PolarHBondContact N-O 3.39Å; V91-V406 CarbonylContact O-C 3.21Å; V91-V406 WeakPolarHBondContact O-CA 3.36Å; V91-I407 PolarHBondContact O-N 3Å
92	V	98.6	Very high	97	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125	178.9	-170.3	0	0	0	0	108.7	L70 I80 F81 L83 N94 I407 N409	L70-V92 HydrophobicContact CB-CG1 4.26Å; L70-V92 HydrophobicContact CD1-CG1 4.06Å; L70-V92 HydrophobicContact CD2-CG1 4.15Å; L70-V92 HydrophobicContact CD2-CG2 3.92Å; L70-V92 HydrophobicContact CG-CG1 4.38Å; I80-V92 WeakPolarHBondContact CA-O 3.4Å; F81-V92 HydrophobicContact CD1-CB 4.33Å; F81-V92 HydrophobicContact CD2-CG2 4.47Å; F81-V92 HydrophobicContact CE1-CB 3.94Å; F81-V92 HydrophobicContact CE1-CG1 4.09Å; F81-V92 HydrophobicContact CE2-CB 4.12Å; F81-V92 HydrophobicContact CE2-CG2 3.92Å; F81-V92 HydrophobicContact CZ-CB 3.81Å; F81-V92 HydrophobicContact CZ-CG1 4.02Å; F81-V92 HydrophobicContact CZ-CG2 3.98Å; F81-V92 PolarHBondContact N-O 2.99Å; F81-V92 PolarHBondContact O-N 2.97Å; L83-V92 HydrophobicContact CD1-CG2 3.98Å; L83-V92 HydrophobicContact CG-CG2 4.2Å; V92-N94 WeakPolarHBondContact CG1-ND2 3.29Å; V92-I407 WeakPolarHBondContact CA-O 3.12Å; V92-I407 HydrophobicContact CG1-CB 4.44Å; V92-I407 HydrophobicContact CG1-CG2 4.45Å; V92-I407 HydrophobicContact CG2-CB 4.38Å; V92-N409 HydrophobicContact CG1-CB 4.34Å
93	L	98.6	Very high	97	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	123.2	177	-50.9	178.5	0	0	0	109.1	I80 V91 V99 C102 V406 I407 T408 N409	I80-L93 HydrophobicContact CD1-CD2 3.98Å; I80-L93 HydrophobicContact CG1-CD2 4.12Å; V91-L93 HydrophobicContact CG1-CD2 4Å; L93-V99 HydrophobicContact CB-CG2 3.99Å; L93-C102 HydrophobicContact CD1-CB 3.5Å; L93-C102 VanDerWaalsContact CD1-SG 3.56Å; L93-V406 HydrophobicContact CD1-CG1 3.55Å; L93-V406 HydrophobicContact CD2-CG1 4.41Å; L93-V406 HydrophobicContact CG-CG1 3.74Å; L93-I407 PolarHBondContact N-O 3.03Å; L93-T408 HydrophobicContact CD1-CG2 4.2Å; L93-N409 WeakPolarHBondContact O-CB 3.27Å; L93-N409 PolarHBondContact O-N 2.92Å
94	N	98.6	Very high	97	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.011	11%	0.107	C	C	.	.			trans	-125.2	148.9	-179.3	-56.1	-94.5	0	0	0	111.4	Q79 F81 V92 C98 N409 S412	Q79-N94 WeakPolarHBondContact CB-O 3.34Å; Q79-N94 PolarHBondContact O-N 2.9Å; Q79-N94 PolarHBondContact O-ND2 2.96Å; F81-N94 VanDerWaalsContact CE1-ND2 3.25Å; F81-N94 WeakPolarHBondContact CE1-ND2 3.28Å; V92-N94 WeakPolarHBondContact CG1-ND2 3.29Å; N94-C98 WeakPolarHBondContact O-CB 3.14Å; N94-N409 WeakPolarHBondContact OD1-CB 3.32Å; N94-N409 PolarHBondContact OD1-ND2 3.4Å; N94-S412 WeakPolarHBondContact CA-OG 3.42Å; N94-S412 WeakPolarHBondContact CB-OG 3.41Å
95	G	97.9	Very high	97.1	Very high	5 Å²	5	27.2 Å²	27.2	5%	0.052	13%	0.13	C	C	.	.	S	Bend	trans	73.9	158.8	-177.4	0	0	0	0	0	113.6	D97 V99 S412 D416	G95-D97 PolarHBondContact O-N 2.89Å; G95-V99 WeakPolarHBondContact O-CG2 3.3Å; G95-V99 PolarHBondContact O-N 2.91Å; G95-S412 PolarHBondContact N-OG 3.22Å; G95-D416 VanDerWaalsContact CA-OD2 3.29Å; G95-D416 WeakPolarHBondContact CA-OD2 3.41Å
96	Y	98.5	Very high	97.2	Very high	14 Å²	14	28.9 Å²	28.9	6%	0.055	14%	0.138	C	C	.	.	H	α-helix	trans	-62	-47.8	-172	176.1	-111.2	0	0	0	112.7	C98 V99 K100 V413 D416 Y419 E442 A443 L445	Y96-C98 PolarHBondContact O-N 3.47Å; Y96-V99 PolarHBondContact O-N 3.45Å; Y96-K100 HydrophobicContact CE1-CD 3.7Å; Y96-K100 HydrophobicContact CE2-CD 4.45Å; Y96-K100 WeakPolarHBondContact O-CB 3.32Å; Y96-K100 PolarHBondContact O-N 3.3Å; Y96-K100 WeakPolarHBondContact OH-CE 3.06Å; Y96-K100 PolarHBondContact OH-NZ 2.73Å; Y96-V413 HydrophobicContact CD2-CG1 4.02Å; Y96-D416 PolarHBondContact N-OD2 3.33Å; Y96-Y419 HydrophobicContact CD1-CD1 4.44Å; Y96-Y419 HydrophobicContact CD1-CD2 4.47Å; Y96-Y419 AromaticContact CD1-CE1 3.78Å; Y96-Y419 HydrophobicContact CD1-CE1 3.78Å; Y96-Y419 AromaticContact CD1-CE2 3.83Å; Y96-Y419 HydrophobicContact CD1-CE2 3.83Å; Y96-Y419 AromaticContact CD1-CZ 3.45Å; Y96-Y419 VanDerWaalsContact CD1-CZ 3.45Å; Y96-Y419 HydrophobicContact CE1-CE1 4.24Å; Y96-Y419 HydrophobicContact CG-CD2 4.45Å; Y96-Y419 HydrophobicContact CG-CE2 4.13Å; Y96-E442 HydrophobicContact CE1-CG 4.02Å; Y96-E442 WeakPolarHBondContact CE2-O 3.32Å; Y96-E442 PolarHBondContact OH-O 2.94Å; Y96-E442 PolarHBondContact OH-OE2 3.19Å; Y96-A443 HydrophobicContact CD2-CB 3.87Å; Y96-A443 HydrophobicContact CE2-CB 4.41Å; Y96-A443 HydrophobicContact CG-CB 3.97Å; Y96-L445 HydrophobicContact CD2-CD1 3.86Å; Y96-L445 HydrophobicContact CD2-CG 4.4Å; Y96-L445 HydrophobicContact CE2-CD1 3.94Å; Y96-L445 HydrophobicContact CE2-CD2 4.41Å; Y96-L445 HydrophobicContact CE2-CG 4.31Å
97	D	98	Very high	97.4	Very high	49 Å²	49	30 Å²	30	26%	0.262	15%	0.145	S	C	.	.	H	α-helix	trans	-59.6	-45.4	-174.5	-65	-44.7	0	0	0	112.5	G95 K100 E101 K418 Y419	G95-D97 PolarHBondContact O-N 2.89Å; D97-K100 PolarHBondContact O-N 2.88Å; D97-E101 WeakPolarHBondContact O-CB 3.1Å; D97-E101 PolarHBondContact O-N 3.4Å; D97-K418 IonicContact OD1-NZ 2.72Å; D97-K418 IonicContact OD2-NZ 3.41Å; D97-K418 PolarHBondContact OD2-NZ 2.64Å; D97-Y419 PolarHBondContact OD1-OH 3.18Å
98	C	97.6	Very high	97.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-69.6	-38.8	-177.6	-166.1	0	0	0	0	111.7	Q79 N94 Y96 C102	Q79-C98 HydrophobicContact CB-CB 4.11Å; N94-C98 WeakPolarHBondContact O-CB 3.14Å; Y96-C98 PolarHBondContact O-N 3.47Å; C98-C102 PolarHBondContact O-N 3.01Å; C98-C102 PolarHBondContact O-SG 2.77Å
99	V	98.4	Very high	97.7	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67.3	-42.8	176.1	171.9	0	0	0	0	110.7	L93 G95 Y96 C102 L103 L410 V413 L445	L93-V99 HydrophobicContact CB-CG2 3.99Å; G95-V99 WeakPolarHBondContact O-CG2 3.3Å; G95-V99 PolarHBondContact O-N 2.91Å; Y96-V99 PolarHBondContact O-N 3.45Å; V99-C102 PolarHBondContact O-N 3.45Å; V99-L103 HydrophobicContact CG1-CD1 3.76Å; V99-L103 HydrophobicContact CG1-CG 4.23Å; V99-L103 WeakPolarHBondContact O-CB 3.46Å; V99-L103 WeakPolarHBondContact O-CG 3.37Å; V99-L103 PolarHBondContact O-N 3.35Å; V99-L410 HydrophobicContact CG1-CD2 4.49Å; V99-V413 HydrophobicContact CB-CG2 4.17Å; V99-V413 HydrophobicContact CG2-CG2 3.79Å; V99-L445 HydrophobicContact CG1-CD1 4.28Å
100	K	98.3	Very high	97.9	Very high	58 Å²	58	29.6 Å²	29.6	25%	0.252	14%	0.139	S	C	.	.	H	α-helix	trans	-62.8	-44.9	177.1	-171.9	179.8	-170.2	166.3	0	111.6	Y96 D97 C102 Y104 H105 E442	Y96-K100 HydrophobicContact CE1-CD 3.7Å; Y96-K100 HydrophobicContact CE2-CD 4.45Å; Y96-K100 WeakPolarHBondContact O-CB 3.32Å; Y96-K100 PolarHBondContact O-N 3.3Å; Y96-K100 WeakPolarHBondContact OH-CE 3.06Å; Y96-K100 PolarHBondContact OH-NZ 2.73Å; D97-K100 PolarHBondContact O-N 2.88Å; K100-C102 PolarHBondContact O-N 2.78Å; K100-Y104 WeakPolarHBondContact O-CA 3.4Å; K100-Y104 WeakPolarHBondContact O-CB 3.33Å; K100-Y104 PolarHBondContact O-N 3.41Å; K100-H105 PolarHBondContact O-N 2.69Å; K100-E442 IonicContact NZ-OE2 3.31Å
101	E	97.9	Very high	97.9	Very high	66 Å²	66	29.7 Å²	29.7	31%	0.308	14%	0.14	S	C	.	.	I	π-helix	trans	-53.8	-51.5	175.7	177.4	56.8	-155.3	0	0	112.1	D97 H105 Q106	D97-E101 WeakPolarHBondContact O-CB 3.1Å; D97-E101 PolarHBondContact O-N 3.4Å; E101-H105 WeakPolarHBondContact O-CB 3.4Å; E101-H105 PolarHBondContact O-N 3.31Å; E101-H105 IonicContact OE2-CD2 2.69Å; E101-H105 PolarHBondContact OE2-CD2 2.87Å; E101-H105 IonicContact OE2-CG 3.11Å; E101-Q106 PolarHBondContact O-N 3.4Å; E101-Q106 PolarHBondContact OE1-NE2 2.8Å
102	C	98.2	Very high	97.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.144	C	C	.	.	I	π-helix	trans	-74.4	-46.9	-175.6	-57.9	0	0	0	0	112.4	L93 C98 V99 K100 Q106 F110	L93-C102 HydrophobicContact CD1-CB 3.5Å; L93-C102 VanDerWaalsContact CD1-SG 3.56Å; C98-C102 PolarHBondContact O-N 3.01Å; C98-C102 PolarHBondContact O-SG 2.77Å; V99-C102 PolarHBondContact O-N 3.45Å; K100-C102 PolarHBondContact O-N 2.78Å; C102-Q106 CarbonylContact O-C 3.22Å; C102-F110 HydrophobicContact CB-CD1 3.99Å; C102-F110 HydrophobicContact CB-CD2 3.87Å; C102-F110 HydrophobicContact CB-CE1 4.09Å; C102-F110 HydrophobicContact CB-CE2 3.99Å; C102-F110 HydrophobicContact CB-CG 3.89Å; C102-F110 HydrophobicContact CB-CZ 4.1Å; C102-F110 VanDerWaalsContact O-CD2 3.27Å; C102-F110 WeakPolarHBondContact O-CD2 3.35Å
103	L	98	Very high	97.9	Very high	5 Å²	5	31 Å²	31	3%	0.026	15%	0.146	C	C	.	.	I	π-helix	trans	-85.7	-26.7	-170.5	-59.1	-170.9	0	0	0	113.7	V99 S107 F110 R387 T408 L449 G450	V99-L103 HydrophobicContact CG1-CD1 3.76Å; V99-L103 HydrophobicContact CG1-CG 4.23Å; V99-L103 WeakPolarHBondContact O-CB 3.46Å; V99-L103 WeakPolarHBondContact O-CG 3.37Å; V99-L103 PolarHBondContact O-N 3.35Å; L103-S107 WeakPolarHBondContact O-CA 3.34Å; L103-S107 WeakPolarHBondContact O-CB 3.43Å; L103-F110 HydrophobicContact CD2-CB 4.11Å; L103-R387 HydrophobicContact CD2-CG 4.24Å; L103-T408 HydrophobicContact CD1-CG2 3.8Å; L103-T408 HydrophobicContact CD2-CG2 4Å; L103-T408 HydrophobicContact CG-CG2 4.21Å; L103-L449 HydrophobicContact CB-CB 4.01Å; L103-L449 HydrophobicContact CD1-CB 4.29Å; L103-G450 WeakPolarHBondContact O-CA 3.48Å
104	Y	96.9	Very high	97.8	Very high	143 Å²	143	31.2 Å²	31.2	56%	0.561	15%	0.147	S	C	*	.	I	π-helix	trans	-103	-59.7	-179.8	-174.6	-99.7	0	0	0	111.2	K100 S107	K100-Y104 WeakPolarHBondContact O-CA 3.4Å; K100-Y104 WeakPolarHBondContact O-CB 3.33Å; K100-Y104 PolarHBondContact O-N 3.41Å; Y104-S107 WeakPolarHBondContact O-CB 3.32Å; Y104-S107 PolarHBondContact O-N 3.37Å
105	H	97.8	Very high	97.6	Very high	115 Å²	115	35 Å²	35	53%	0.532	17%	0.174	S	C	.	.	I	π-helix	trans	-69	-38.2	-176.6	-63.1	-54.8	0	0	0	112.5	K100 E101	K100-H105 PolarHBondContact O-N 2.69Å; E101-H105 WeakPolarHBondContact O-CB 3.4Å; E101-H105 PolarHBondContact O-N 3.31Å; E101-H105 IonicContact OE2-CD2 2.69Å; E101-H105 PolarHBondContact OE2-CD2 2.87Å; E101-H105 IonicContact OE2-CG 3.11Å
106	Q	97.8	Very high	97.4	Very high	42 Å²	42	35.2 Å²	35.2	20%	0.196	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	35	176.6	-57.2	-173	42.4	0	0	112.8	E101 C102 E108 V109 F110 K394	E101-Q106 PolarHBondContact O-N 3.4Å; E101-Q106 PolarHBondContact OE1-NE2 2.8Å; C102-Q106 CarbonylContact O-C 3.22Å; Q106-E108 VanDerWaalsContact C-N 3.32Å; Q106-E108 PolarHBondContact O-N 3.13Å; Q106-E108 VanDerWaalsContact O-N 3.13Å; Q106-V109 HydrophobicContact CB-CB 4.43Å; Q106-V109 WeakPolarHBondContact O-CB 3.16Å; Q106-V109 PolarHBondContact O-N 2.85Å; Q106-F110 HydrophobicContact CB-CD2 3.81Å; Q106-F110 HydrophobicContact CB-CE2 3.89Å; Q106-F110 PolarHBondContact O-N 2.61Å; Q106-K394 PolarHBondContact NE2-O 3.28Å
107	S	96.4	Very high	97.3	Very high	26 Å²	26	36 Å²	36	18%	0.182	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-37.2	-167.1	64.4	0	0	0	0	115.6	L103 Y104 A111	L103-S107 WeakPolarHBondContact O-CA 3.34Å; L103-S107 WeakPolarHBondContact O-CB 3.43Å; Y104-S107 WeakPolarHBondContact O-CB 3.32Å; Y104-S107 PolarHBondContact O-N 3.37Å; S107-A111 VanDerWaalsContact O-CB 3.24Å; S107-A111 WeakPolarHBondContact O-CB 3.28Å; S107-A111 PolarHBondContact O-N 3.19Å
108	E	95.9	Very high	97.1	Very high	77 Å²	77	34 Å²	34	36%	0.36	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-36.2	177	-61.5	-61.1	137.1	0	0	112.6	Q106 Y133 S390 R451	Q106-E108 VanDerWaalsContact C-N 3.32Å; Q106-E108 PolarHBondContact O-N 3.13Å; Q106-E108 VanDerWaalsContact O-N 3.13Å; E108-Y133 VanDerWaalsContact CD-OH 3.24Å; E108-Y133 PolarHBondContact OE1-OH 3.37Å; E108-Y133 WeakPolarHBondContact OE2-CE1 3.38Å; E108-Y133 VanDerWaalsContact OE2-CZ 3.23Å; E108-Y133 PolarHBondContact OE2-OH 2.78Å; E108-S390 PolarHBondContact O-OG 3.44Å; E108-R451 IonicContact OE1-CZ 3.65Å; E108-R451 IonicContact OE1-NE 2.62Å; E108-R451 PolarHBondContact OE1-NE 3.35Å; E108-R451 IonicContact OE1-NH2 2.94Å; E108-R451 PolarHBondContact OE1-NH2 3.01Å
109	V	98	Very high	97	Very high	18 Å²	18	35 Å²	35	11%	0.109	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-40	-177	-178.8	0	0	0	0	110.4	Q106 T389 S390 Q391 A393	Q106-V109 HydrophobicContact CB-CB 4.43Å; Q106-V109 WeakPolarHBondContact O-CB 3.16Å; Q106-V109 PolarHBondContact O-N 2.85Å; V109-T389 CarbonylContact O-C 3.41Å; V109-T389 VanDerWaalsContact O-CA 3.31Å; V109-T389 WeakPolarHBondContact O-CA 3.28Å; V109-S390 WeakPolarHBondContact CA-OG 3.49Å; V109-S390 PolarHBondContact O-N 3.21Å; V109-S390 PolarHBondContact O-OG 2.84Å; V109-Q391 HydrophobicContact CB-CG 4.41Å; V109-Q391 HydrophobicContact CG1-CG 3.88Å; V109-Q391 HydrophobicContact CG2-CG 3.95Å; V109-A393 HydrophobicContact CG1-CB 3.71Å
110	F	98.3	Very high	96.8	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	13.7	-176.6	-67.4	-93.1	0	0	0	113.9	C102 L103 Q106 R387 T389 A393 V395 I400 V406	C102-F110 HydrophobicContact CB-CD1 3.99Å; C102-F110 HydrophobicContact CB-CD2 3.87Å; C102-F110 HydrophobicContact CB-CE1 4.09Å; C102-F110 HydrophobicContact CB-CE2 3.99Å; C102-F110 HydrophobicContact CB-CG 3.89Å; C102-F110 HydrophobicContact CB-CZ 4.1Å; C102-F110 VanDerWaalsContact O-CD2 3.27Å; C102-F110 WeakPolarHBondContact O-CD2 3.35Å; L103-F110 HydrophobicContact CD2-CB 4.11Å; Q106-F110 HydrophobicContact CB-CD2 3.81Å; Q106-F110 HydrophobicContact CB-CE2 3.89Å; Q106-F110 PolarHBondContact O-N 2.61Å; F110-R387 WeakPolarHBondContact O-CD 3.47Å; F110-T389 HydrophobicContact CD1-CG2 4.04Å; F110-T389 HydrophobicContact CE1-CG2 3.65Å; F110-T389 HydrophobicContact CZ-CG2 4.06Å; F110-A393 HydrophobicContact CE2-CB 4.07Å; F110-A393 HydrophobicContact CZ-CB 3.94Å; F110-V395 HydrophobicContact CE2-CG2 4.15Å; F110-V395 HydrophobicContact CZ-CG2 3.66Å; F110-I400 HydrophobicContact CE1-CD1 4.3Å; F110-I400 HydrophobicContact CZ-CD1 4.12Å; F110-V406 HydrophobicContact CD1-CB 4.42Å; F110-V406 HydrophobicContact CD1-CG1 4.14Å; F110-V406 HydrophobicContact CD1-CG2 3.99Å; F110-V406 HydrophobicContact CE1-CG1 4.35Å; F110-V406 HydrophobicContact CE1-CG2 3.93Å
111	A	97.9	Very high	96.6	Very high	3 Å²	3	41.8 Å²	41.8	3%	0.025	21%	0.205	C	C	.	.			trans	-83.5	-9.4	179.4	0	0	0	0	0	114.5	S107 Y133 R451 R452	S107-A111 VanDerWaalsContact O-CB 3.24Å; S107-A111 WeakPolarHBondContact O-CB 3.28Å; S107-A111 PolarHBondContact O-N 3.19Å; A111-Y133 HydrophobicContact CB-CD1 3.97Å; A111-Y133 HydrophobicContact CB-CD2 3.52Å; A111-Y133 HydrophobicContact CB-CE1 4.1Å; A111-Y133 HydrophobicContact CB-CE2 3.65Å; A111-Y133 HydrophobicContact CB-CG 3.69Å; A111-R451 HydrophobicContact CB-CB 4.01Å; A111-R451 HydrophobicContact CB-CG 4.32Å; A111-R452 HydrophobicContact CB-CG 4.45Å; A111-R452 VanDerWaalsContact O-CZ 3.32Å; A111-R452 PolarHBondContact O-NE 2.9Å; A111-R452 PolarHBondContact O-NH2 3.42Å
112	D	98.4	Very high	96.3	Very high	18 Å²	18	40.9 Å²	40.9	10%	0.096	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-79.5	171.3	-176	-158.3	17.2	0	0	0	113.1	K132 Y133 R387 A388	D112-K132 WeakPolarHBondContact OD1-CA 3.41Å; D112-K132 WeakPolarHBondContact OD1-CD 3.48Å; D112-K132 IonicContact OD1-NZ 3.54Å; D112-K132 WeakPolarHBondContact OD2-CD 3.28Å; D112-K132 IonicContact OD2-NZ 2.7Å; D112-K132 PolarHBondContact OD2-NZ 2.74Å; D112-Y133 PolarHBondContact OD1-N 2.95Å; D112-R387 CarbonylContact O-C 3.52Å; D112-R387 VanDerWaalsContact O-CA 3.31Å; D112-R387 WeakPolarHBondContact O-CA 3.31Å; D112-A388 HydrophobicContact CB-CB 4.39Å; D112-A388 WeakPolarHBondContact CB-O 3.39Å; D112-A388 PolarHBondContact N-O 3.46Å; D112-A388 PolarHBondContact O-N 2.88Å
113	R	97.7	Very high	96.2	Very high	9 Å²	9	41.5 Å²	41.5	3%	0.034	21%	0.206	C	C	.	.			trans	-114.8	142.4	177.1	-66.5	-61.5	-165.8	-167.9	6.1	111.2	S115 M125 L129 C131 K132 I385 F386	R113-S115 PolarHBondContact O-N 3.22Å; R113-M125 HydrophobicContact CB-CE 4Å; R113-L129 VanDerWaalsContact CZ-O 3.29Å; R113-L129 PolarHBondContact NE-O 3.3Å; R113-L129 PolarHBondContact NH2-O 2.94Å; R113-C131 VanDerWaalsContact CG-O 3.29Å; R113-C131 WeakPolarHBondContact CG-O 3.46Å; R113-K132 PolarHBondContact O-NZ 2.97Å; R113-I385 VanDerWaalsContact CZ-CG2 3.47Å; R113-I385 VanDerWaalsContact NH1-CG2 3.29Å; R113-I385 PolarHBondContact NH1-O 3.23Å; R113-F386 VanDerWaalsContact CD-O 3.29Å; R113-F386 WeakPolarHBondContact CD-O 3.42Å; R113-F386 PolarHBondContact NH1-O 3.46Å
114	P	96.5	Very high	96	Very high	4 Å²	4	46.8 Å²	46.8	3%	0.026	23%	0.228	C	C	.	.			trans	-68.5	134.7	177.5	30.7	-34.5	0	0	0	109.6	L116 F119 M125 F386 A388 M405	P114-L116 HydrophobicContact CB-CD2 4.2Å; P114-L116 HydrophobicContact CB-CG 3.99Å; P114-L116 HydrophobicContact CG-CD1 4.24Å; P114-L116 HydrophobicContact CG-CG 4.04Å; P114-L116 PolarHBondContact O-N 3.18Å; P114-F119 HydrophobicContact CG-CD2 4.45Å; P114-F119 HydrophobicContact CG-CE2 4.16Å; P114-M125 WeakPolarHBondContact O-CE 3.5Å; P114-F386 WeakPolarHBondContact CD-O 3.4Å; P114-F386 HydrophobicContact CG-CB 3.94Å; P114-A388 HydrophobicContact CB-CB 4.28Å; P114-M405 HydrophobicContact CB-CB 4.15Å; P114-M405 HydrophobicContact CB-CG 3.9Å; P114-M405 HydrophobicContact CB-SD 4.12Å; P114-M405 HydrophobicContact CG-CG 4.01Å; P114-M405 HydrophobicContact CG-SD 4.02Å
115	S	94.4	Very high	96	Very high	81 Å²	81	40.8 Å²	40.8	57%	0.566	21%	0.206	S	C	*	.			trans	-77.9	60.9	177.3	-58.5	0	0	0	0	110.9	R113 K132	R113-S115 PolarHBondContact O-N 3.22Å; S115-K132 WeakPolarHBondContact OG-CE 3.5Å; S115-K132 PolarHBondContact OG-NZ 3.41Å; S115-K132 VanDerWaalsContact OG-NZ 3.1Å
116	L	95.2	Very high	95.8	Very high	10 Å²	10	35.8 Å²	35.8	5%	0.052	19%	0.186	C	C	.	.			trans	-72.5	140.3	178.7	-60.3	-175.7	0	0	0	110.2	I88 P114 L118 F119 H120 F386 M405	I88-L116 HydrophobicContact CD1-CD2 4Å; I88-L116 HydrophobicContact CG2-CD2 4.4Å; P114-L116 HydrophobicContact CB-CD2 4.2Å; P114-L116 HydrophobicContact CB-CG 3.99Å; P114-L116 HydrophobicContact CG-CD1 4.24Å; P114-L116 HydrophobicContact CG-CG 4.04Å; P114-L116 PolarHBondContact O-N 3.18Å; L116-L118 PolarHBondContact O-N 3.43Å; L116-L118 VanDerWaalsContact O-N 3.17Å; L116-F119 HydrophobicContact CB-CD2 3.95Å; L116-F119 HydrophobicContact CB-CE2 4.43Å; L116-F119 HydrophobicContact CB-CG 4.25Å; L116-F119 HydrophobicContact CD1-CD2 4.02Å; L116-F119 HydrophobicContact CD1-CE2 3.63Å; L116-F119 HydrophobicContact CD1-CZ 4.08Å; L116-F119 HydrophobicContact CG-CD2 4.11Å; L116-F119 HydrophobicContact CG-CE2 4.2Å; L116-F119 PolarHBondContact O-N 3.36Å; L116-H120 PolarHBondContact O-N 3.23Å; L116-F386 HydrophobicContact CD1-CD2 4.43Å; L116-M405 HydrophobicContact CD1-SD 4.09Å; L116-M405 HydrophobicContact CD2-SD 4.23Å
117	P	96.1	Very high	95.7	Very high	32 Å²	32	33.8 Å²	33.8	21%	0.208	18%	0.176	C	C	.	.	H	α-helix	trans	-49.2	-41.5	175.9	-30	35.4	0	0	0	113.4	H120 K121 Y233 N234 P237	P117-H120 PolarHBondContact O-N 3.42Å; P117-K121 WeakPolarHBondContact O-CB 3.3Å; P117-K121 PolarHBondContact O-N 3.41Å; P117-Y233 HydrophobicContact CB-CD1 4.44Å; P117-Y233 HydrophobicContact CB-CE1 3.85Å; P117-N234 WeakPolarHBondContact CG-O 3.39Å; P117-P237 HydrophobicContact CB-CB 4.38Å; P117-P237 HydrophobicContact CB-CG 3.99Å; P117-P237 HydrophobicContact CG-CB 4.49Å; P117-P237 HydrophobicContact CG-CG 3.59Å
118	L	94.2	Very high	95.7	Very high	6 Å²	6	33 Å²	33	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-58.8	-51.3	176.1	-178.2	61.1	0	0	0	112	L116 H120 K121 M122 A225 A230 Y233 N234 L250 F251	L116-L118 PolarHBondContact O-N 3.43Å; L116-L118 VanDerWaalsContact O-N 3.17Å; L118-H120 VanDerWaalsContact C-N 3.3Å; L118-H120 PolarHBondContact O-N 3.47Å; L118-K121 PolarHBondContact O-N 2.92Å; L118-M122 HydrophobicContact CD1-CG 4.11Å; L118-M122 HydrophobicContact CG-CG 4.46Å; L118-M122 WeakPolarHBondContact O-CB 3.35Å; L118-M122 WeakPolarHBondContact O-CG 3.31Å; L118-M122 PolarHBondContact O-N 2.91Å; L118-A225 HydrophobicContact CD2-CB 4.32Å; L118-A230 HydrophobicContact CD2-CB 4.26Å; L118-Y233 HydrophobicContact CB-CD1 4.09Å; L118-Y233 HydrophobicContact CB-CE1 4.12Å; L118-Y233 HydrophobicContact CD1-CD1 4.5Å; L118-Y233 HydrophobicContact CD1-CE1 4.49Å; L118-N234 WeakPolarHBondContact CB-OD1 3.39Å; L118-N234 PolarHBondContact N-OD1 3.24Å; L118-L250 HydrophobicContact CD1-CD1 4.03Å; L118-L250 HydrophobicContact CD1-CD2 3.67Å; L118-L250 HydrophobicContact CD2-CD1 4.26Å; L118-F251 HydrophobicContact CD1-CE1 3.82Å
119	F	93.8	Very high	95.7	Very high	22 Å²	22	31.5 Å²	31.5	10%	0.096	16%	0.164	C	C	.	.	H	α-helix	trans	-67.4	-34.1	-178.6	-60.4	-20.7	0	0	0	111.9	P114 L116 M122 T123 M125	P114-F119 HydrophobicContact CG-CD2 4.45Å; P114-F119 HydrophobicContact CG-CE2 4.16Å; L116-F119 HydrophobicContact CB-CD2 3.95Å; L116-F119 HydrophobicContact CB-CE2 4.43Å; L116-F119 HydrophobicContact CB-CG 4.25Å; L116-F119 HydrophobicContact CD1-CD2 4.02Å; L116-F119 HydrophobicContact CD1-CE2 3.63Å; L116-F119 HydrophobicContact CD1-CZ 4.08Å; L116-F119 HydrophobicContact CG-CD2 4.11Å; L116-F119 HydrophobicContact CG-CE2 4.2Å; L116-F119 PolarHBondContact O-N 3.36Å; F119-M122 PolarHBondContact O-N 3.06Å; F119-T123 PolarHBondContact O-N 3.17Å; F119-T123 PolarHBondContact O-OG1 3.11Å; F119-M125 HydrophobicContact CB-CE 4.2Å; F119-M125 HydrophobicContact CB-SD 3.58Å; F119-M125 VanDerWaalsContact CB-SD 3.58Å
120	H	94.6	Very high	95.6	Very high	113 Å²	113	31.5 Å²	31.5	52%	0.523	16%	0.163	S	C	.	.	H	α-helix	trans	-65.4	-43.3	174.3	-166.1	75.8	0	0	0	111.9	L116 P117 L118 K124 M125	L116-H120 PolarHBondContact O-N 3.23Å; P117-H120 PolarHBondContact O-N 3.42Å; L118-H120 VanDerWaalsContact C-N 3.3Å; L118-H120 PolarHBondContact O-N 3.47Å; H120-K124 WeakPolarHBondContact O-CA 3.46Å; H120-K124 PolarHBondContact O-N 3.35Å; H120-M125 HydrophobicContact CB-SD 4.43Å
121	K	94.5	Very high	95.5	Very high	86 Å²	86	32 Å²	32	37%	0.374	17%	0.167	S	C	.	.	H	α-helix	trans	-68.1	-36	177.4	-173	172.9	174	89.1	0	112.7	P117 L118 Y233 E240 F251	P117-K121 WeakPolarHBondContact O-CB 3.3Å; P117-K121 PolarHBondContact O-N 3.41Å; L118-K121 PolarHBondContact O-N 2.92Å; K121-Y233 WeakPolarHBondContact CD-OH 3.31Å; K121-E240 IonicContact NZ-OE1 2.86Å; K121-E240 PolarHBondContact NZ-OE1 2.96Å; K121-E240 IonicContact NZ-OE2 2.64Å; K121-F251 HydrophobicContact CD-CD1 3.98Å; K121-F251 HydrophobicContact CD-CD2 4.47Å; K121-F251 HydrophobicContact CD-CE1 3.6Å; K121-F251 HydrophobicContact CD-CE2 4.12Å; K121-F251 HydrophobicContact CD-CG 4.41Å; K121-F251 HydrophobicContact CD-CZ 3.69Å
122	M	92.3	Very high	95.5	Very high	48 Å²	48	35 Å²	35	24%	0.236	18%	0.179	C	C	.	.	H	α-helix	trans	-76.8	-44.1	-177.9	-65.6	-62.8	93.8	0	0	113.3	L118 F119 L250 F251 A254 Y306	L118-M122 HydrophobicContact CD1-CG 4.11Å; L118-M122 HydrophobicContact CG-CG 4.46Å; L118-M122 WeakPolarHBondContact O-CB 3.35Å; L118-M122 WeakPolarHBondContact O-CG 3.31Å; L118-M122 PolarHBondContact O-N 2.91Å; F119-M122 PolarHBondContact O-N 3.06Å; M122-L250 HydrophobicContact CE-CD2 4.19Å; M122-L250 HydrophobicContact CG-CD2 4.49Å; M122-L250 HydrophobicContact SD-CD2 3.62Å; M122-F251 HydrophobicContact CE-CD1 3.5Å; M122-F251 VanDerWaalsContact CE-CD1 3.5Å; M122-F251 HydrophobicContact CE-CE1 3.94Å; M122-A254 HydrophobicContact CE-CB 4.01Å; M122-A254 HydrophobicContact SD-CB 3.44Å; M122-A254 WeakPolarHBondContact SD-CB 3.38Å; M122-Y306 WeakPolarHBondContact O-CE1 3.44Å
123	T	94.9	Very high	95.4	Very high	13 Å²	13	36.6 Å²	36.6	8%	0.08	18%	0.184	C	C	.	.	H	α-helix	trans	-135.6	6.5	-171.3	67.8	0	0	0	0	114.4	F119 M125 G126 Y306	F119-T123 PolarHBondContact O-N 3.17Å; F119-T123 PolarHBondContact O-OG1 3.11Å; T123-M125 PolarHBondContact O-N 2.96Å; T123-G126 WeakPolarHBondContact O-CA 3.32Å; T123-G126 PolarHBondContact O-N 2.82Å; T123-Y306 VanDerWaalsContact C-CE2 3.5Å; T123-Y306 HydrophobicContact CG2-CD1 4.35Å; T123-Y306 HydrophobicContact CG2-CD2 4.49Å; T123-Y306 HydrophobicContact CG2-CG 4.18Å; T123-Y306 VanDerWaalsContact O-CE2 3.23Å; T123-Y306 WeakPolarHBondContact O-CE2 3.49Å
124	K	95.2	Very high	95.3	Very high	116 Å²	116	37.5 Å²	37.5	50%	0.504	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	24.4	-173.6	-58.3	177.1	-175.6	165.2	0	113.7	H120 G126 E302	H120-K124 WeakPolarHBondContact O-CA 3.46Å; H120-K124 PolarHBondContact O-N 3.35Å; K124-G126 PolarHBondContact O-N 3.03Å; K124-E302 WeakPolarHBondContact CE-OE1 3.17Å; K124-E302 IonicContact NZ-OE1 2.67Å; K124-E302 PolarHBondContact NZ-OE1 3.5Å; K124-E302 IonicContact NZ-OE2 2.85Å; K124-E302 PolarHBondContact NZ-OE2 3.3Å
125	M	95.4	Very high	95.2	Very high	16 Å²	16	43.3 Å²	43.3	8%	0.079	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	28	-170.3	-44.9	-57	-60.6	0	0	113.8	R113 P114 F119 H120 T123 N130 C131 K132	R113-M125 HydrophobicContact CB-CE 4Å; P114-M125 WeakPolarHBondContact O-CE 3.5Å; F119-M125 HydrophobicContact CB-CE 4.2Å; F119-M125 HydrophobicContact CB-SD 3.58Å; F119-M125 VanDerWaalsContact CB-SD 3.58Å; H120-M125 HydrophobicContact CB-SD 4.43Å; T123-M125 PolarHBondContact O-N 2.96Å; M125-N130 WeakPolarHBondContact CE-O 3.49Å; M125-C131 VanDerWaalsContact O-CA 3.25Å; M125-C131 WeakPolarHBondContact O-CA 3.47Å; M125-K132 HydrophobicContact CB-CG 4.03Å; M125-K132 PolarHBondContact O-N 2.8Å; M125-K132 VanDerWaalsContact O-N 3.15Å
126	G	93.8	Very high	95.2	Very high	11 Å²	11	40.4 Å²	40.4	11%	0.113	20%	0.204	C	C	.	.			trans	-99.6	-152.4	171.2	0	0	0	0	0	112.4	T123 K124 C131 N303	T123-G126 WeakPolarHBondContact O-CA 3.32Å; T123-G126 PolarHBondContact O-N 2.82Å; K124-G126 PolarHBondContact O-N 3.03Å; G126-C131 VanDerWaalsContact O-CA 3.27Å; G126-C131 WeakPolarHBondContact O-CA 3.5Å; G126-C131 VanDerWaalsContact O-CB 3.27Å; G126-C131 WeakPolarHBondContact O-CB 2.94Å; G126-C131 PolarHBondContact O-N 3.4Å; G126-N303 WeakPolarHBondContact CA-OD1 3.37Å
127	G	95.5	Very high	95.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	63.2	-133	-175	0	0	0	0	0	112.5	C131 N303	G127-C131 WeakPolarHBondContact O-CB 3.28Å; G127-N303 PolarHBondContact N-OD1 3.4Å
128	L	96.8	Very high	95.4	Very high	9 Å²	9	43 Å²	43	5%	0.047	21%	0.214	C	C	.	.	S	Bend	trans	-128.5	-51.5	-174.7	175.9	60.2	0	0	0	113.1	W137 H140 R141 A144 E310 L311 R452	L128-W137 VanDerWaalsContact O-CD1 3.24Å; L128-H140 HydrophobicContact CB-CB 4.46Å; L128-H140 HydrophobicContact CD1-CB 4.13Å; L128-R141 HydrophobicContact CD1-CB 3.82Å; L128-A144 HydrophobicContact CD2-CB 3.68Å; L128-E310 WeakPolarHBondContact CA-OE2 3.36Å; L128-E310 PolarHBondContact N-OE2 3.3Å; L128-L311 HydrophobicContact CD2-CD2 3.88Å; L128-L311 HydrophobicContact CD2-CG 4.3Å; L128-R452 PolarHBondContact O-NH1 2.87Å
129	L	96.2	Very high	95.5	Very high	45 Å²	45	44.4 Å²	44.4	24%	0.236	22%	0.222	C	C	.	.	S	Bend	trans	-72.9	-48.6	-169.2	-177.5	150.1	0	0	0	111.3	R113 E310 A314 I385	R113-L129 VanDerWaalsContact CZ-O 3.29Å; R113-L129 PolarHBondContact NE-O 3.3Å; R113-L129 PolarHBondContact NH2-O 2.94Å; L129-E310 HydrophobicContact CB-CB 3.92Å; L129-E310 VanDerWaalsContact CB-CD 3.43Å; L129-E310 HydrophobicContact CB-CG 3.79Å; L129-E310 WeakPolarHBondContact CB-OE1 3.23Å; L129-E310 VanDerWaalsContact N-CD 3.28Å; L129-E310 PolarHBondContact N-OE1 3.07Å; L129-E310 PolarHBondContact N-OE2 3.01Å; L129-A314 HydrophobicContact CD1-CB 4.44Å; L129-I385 HydrophobicContact CD1-CD1 3.81Å; L129-I385 HydrophobicContact CD2-CD1 3.9Å; L129-I385 HydrophobicContact CD2-CG2 4.18Å; L129-I385 HydrophobicContact CG-CD1 3.74Å
130	N	95.6	Very high	95.7	Very high	18 Å²	18	43.4 Å²	43.4	10%	0.096	22%	0.218	C	C	.	.	S	Bend	trans	-99.5	3.1	178.4	-77.9	-34.8	0	0	0	114.3	M125 E310	M125-N130 WeakPolarHBondContact CE-O 3.49Å; N130-E310 PolarHBondContact N-OE1 2.97Å
131	C	96.9	Very high	95.9	Very high	11 Å²	11	39.4 Å²	39.4	7%	0.074	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-57.2	142.5	179.8	-171	0	0	0	0	112.4	R113 M125 G126 G127 W137 R452	R113-C131 VanDerWaalsContact CG-O 3.29Å; R113-C131 WeakPolarHBondContact CG-O 3.46Å; M125-C131 VanDerWaalsContact O-CA 3.25Å; M125-C131 WeakPolarHBondContact O-CA 3.47Å; G126-C131 VanDerWaalsContact O-CA 3.27Å; G126-C131 WeakPolarHBondContact O-CA 3.5Å; G126-C131 VanDerWaalsContact O-CB 3.27Å; G126-C131 WeakPolarHBondContact O-CB 2.94Å; G126-C131 PolarHBondContact O-N 3.4Å; G127-C131 WeakPolarHBondContact O-CB 3.28Å; C131-W137 HydrophobicContact CB-CB 4.12Å; C131-R452 VanDerWaalsContact O-CZ 3.22Å; C131-R452 PolarHBondContact O-NH1 3.02Å; C131-R452 PolarHBondContact O-NH2 3.35Å
132	K	96.9	Very high	96	Very high	66 Å²	66	41.8 Å²	41.8	29%	0.287	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-59.2	146.2	170.3	-79.2	-61.7	-160.5	175.9	0	112.1	D112 R113 S115 M125 G134 W137	D112-K132 WeakPolarHBondContact OD1-CA 3.41Å; D112-K132 WeakPolarHBondContact OD1-CD 3.48Å; D112-K132 IonicContact OD1-NZ 3.54Å; D112-K132 WeakPolarHBondContact OD2-CD 3.28Å; D112-K132 IonicContact OD2-NZ 2.7Å; D112-K132 PolarHBondContact OD2-NZ 2.74Å; R113-K132 PolarHBondContact O-NZ 2.97Å; S115-K132 WeakPolarHBondContact OG-CE 3.5Å; S115-K132 PolarHBondContact OG-NZ 3.41Å; S115-K132 VanDerWaalsContact OG-NZ 3.1Å; M125-K132 HydrophobicContact CB-CG 4.03Å; M125-K132 PolarHBondContact O-N 2.8Å; M125-K132 VanDerWaalsContact O-N 3.15Å; K132-G134 PolarHBondContact O-N 2.72Å; K132-W137 VanDerWaalsContact O-CB 3.26Å; K132-W137 WeakPolarHBondContact O-CB 3.43Å
133	Y	97.3	Very high	96.3	Very high	53 Å²	53	40 Å²	40	21%	0.208	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	126.2	176.4	-171.4	-118	0	0	0	110.8	E108 A111 D112 W137 R451	E108-Y133 VanDerWaalsContact CD-OH 3.24Å; E108-Y133 PolarHBondContact OE1-OH 3.37Å; E108-Y133 WeakPolarHBondContact OE2-CE1 3.38Å; E108-Y133 VanDerWaalsContact OE2-CZ 3.23Å; E108-Y133 PolarHBondContact OE2-OH 2.78Å; A111-Y133 HydrophobicContact CB-CD1 3.97Å; A111-Y133 HydrophobicContact CB-CD2 3.52Å; A111-Y133 HydrophobicContact CB-CE1 4.1Å; A111-Y133 HydrophobicContact CB-CE2 3.65Å; A111-Y133 HydrophobicContact CB-CG 3.69Å; D112-Y133 PolarHBondContact OD1-N 2.95Å; Y133-W137 HydrophobicContact CD2-CD2 4.21Å; Y133-W137 AromaticContact CD2-CE3 3.55Å; Y133-W137 HydrophobicContact CD2-CE3 3.55Å; Y133-W137 AromaticContact CD2-CZ3 3.89Å; Y133-W137 HydrophobicContact CD2-CZ3 3.89Å; Y133-W137 AromaticContact CE2-CE3 3.54Å; Y133-W137 HydrophobicContact CE2-CE3 3.54Å; Y133-W137 HydrophobicContact CE2-CH2 4.31Å; Y133-W137 AromaticContact CE2-CZ3 3.42Å; Y133-W137 HydrophobicContact CE2-CZ3 3.42Å; Y133-W137 VanDerWaalsContact CE2-CZ3 3.42Å; Y133-R451 HydrophobicContact CE2-CB 4.37Å; Y133-R451 HydrophobicContact CE2-CG 4.43Å
134	G	95.6	Very high	96.4	Very high	28 Å²	28	39.4 Å²	39.4	29%	0.289	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	158.6	-168.9	-176.5	0	0	0	0	0	111.3	K132 G136 W137 I138	K132-G134 PolarHBondContact O-N 2.72Å; G134-G136 VanDerWaalsContact C-N 3.3Å; G134-G136 PolarHBondContact O-N 3.2Å; G134-W137 PolarHBondContact O-N 2.92Å; G134-I138 WeakPolarHBondContact O-CG1 3.48Å; G134-I138 PolarHBondContact O-N 2.85Å
135	K	94.8	Very high	96.5	Very high	125 Å²	125	36.1 Å²	36.1	54%	0.543	19%	0.187	S	C	.	.	H	α-helix	trans	-51.7	-46.9	-178	-179.5	-177	165.5	88.7	0	112.3	W137 I138 D139	K135-W137 PolarHBondContact O-N 3.21Å; K135-I138 WeakPolarHBondContact O-CB 3.23Å; K135-I138 PolarHBondContact O-N 3.35Å; K135-I138 VanDerWaalsContact O-N 3.08Å; K135-D139 WeakPolarHBondContact CG-OD2 3.38Å; K135-D139 VanDerWaalsContact O-CG 3.24Å; K135-D139 PolarHBondContact O-N 3.42Å
136	G	94.8	Very high	96.4	Very high	20 Å²	20	39.7 Å²	39.7	21%	0.206	21%	0.206	C	C	.	.	H	α-helix	trans	-58	-47.7	-178.8	0	0	0	0	0	113.6	G134 I138 D139 H140 S298	G134-G136 VanDerWaalsContact C-N 3.3Å; G134-G136 PolarHBondContact O-N 3.2Å; G136-I138 PolarHBondContact O-N 2.73Å; G136-D139 PolarHBondContact O-N 2.89Å; G136-H140 PolarHBondContact O-N 3.36Å; G136-H140 VanDerWaalsContact O-N 3.13Å; G136-H140 PolarHBondContact O-ND1 2.66Å; G136-S298 VanDerWaalsContact CA-CB 3.41Å; G136-S298 WeakPolarHBondContact CA-OG 3.37Å
137	W	97.5	Very high	96.5	Very high	15 Å²	15	39.3 Å²	39.3	6%	0.057	20%	0.202	C	C	.	.	H	α-helix	trans	-63.5	-39.8	174.7	173.4	74.5	0	0	0	112.4	L128 C131 K132 Y133 G134 K135 R141 R451 R452	L128-W137 VanDerWaalsContact O-CD1 3.24Å; C131-W137 HydrophobicContact CB-CB 4.12Å; K132-W137 VanDerWaalsContact O-CB 3.26Å; K132-W137 WeakPolarHBondContact O-CB 3.43Å; Y133-W137 HydrophobicContact CD2-CD2 4.21Å; Y133-W137 AromaticContact CD2-CE3 3.55Å; Y133-W137 HydrophobicContact CD2-CE3 3.55Å; Y133-W137 AromaticContact CD2-CZ3 3.89Å; Y133-W137 HydrophobicContact CD2-CZ3 3.89Å; Y133-W137 AromaticContact CE2-CE3 3.54Å; Y133-W137 HydrophobicContact CE2-CE3 3.54Å; Y133-W137 HydrophobicContact CE2-CH2 4.31Å; Y133-W137 AromaticContact CE2-CZ3 3.42Å; Y133-W137 HydrophobicContact CE2-CZ3 3.42Å; Y133-W137 VanDerWaalsContact CE2-CZ3 3.42Å; G134-W137 PolarHBondContact O-N 2.92Å; K135-W137 PolarHBondContact O-N 3.21Å; W137-R141 HydrophobicContact CD2-CB 4.41Å; W137-R141 HydrophobicContact CH2-CB 4.46Å; W137-R141 HydrophobicContact CH2-CG 4.1Å; W137-R141 HydrophobicContact CZ2-CB 4.06Å; W137-R141 HydrophobicContact CZ2-CG 3.77Å; W137-R141 WeakPolarHBondContact O-CB 3.25Å; W137-R141 PolarHBondContact O-N 3.49Å; W137-R451 HydrophobicContact CH2-CB 4.05Å; W137-R451 WeakPolarHBondContact CH2-O 3.27Å; W137-R451 VanDerWaalsContact CZ2-O 3.3Å; W137-R451 WeakPolarHBondContact CZ2-O 3.42Å; W137-R452 VanDerWaalsContact CD1-CZ 3.46Å; W137-R452 VanDerWaalsContact CE2-CD 3.49Å; W137-R452 HydrophobicContact CZ2-CG 4.01Å
138	I	97.4	Very high	96.4	Very high	81 Å²	81	40.1 Å²	40.1	42%	0.415	21%	0.206	S	C	.	.	H	α-helix	trans	-61.3	-47	178.3	-66.8	168.3	0	0	0	110.5	G134 K135 G136 R141 K142	G134-I138 WeakPolarHBondContact O-CG1 3.48Å; G134-I138 PolarHBondContact O-N 2.85Å; K135-I138 WeakPolarHBondContact O-CB 3.23Å; K135-I138 PolarHBondContact O-N 3.35Å; K135-I138 VanDerWaalsContact O-N 3.08Å; G136-I138 PolarHBondContact O-N 2.73Å; I138-R141 PolarHBondContact O-N 3.02Å; I138-K142 VanDerWaalsContact O-CB 3.26Å; I138-K142 WeakPolarHBondContact O-CB 3.44Å; I138-K142 PolarHBondContact O-N 2.82Å
139	D	96.5	Very high	96	Very high	36 Å²	36	47.7 Å²	47.7	19%	0.193	23%	0.233	C	C	.	.	H	α-helix	trans	-60.2	-51.7	-179.5	-65.4	-19.6	0	0	0	110.5	K135 G136 R141 K142 L143 S298 F299	K135-D139 WeakPolarHBondContact CG-OD2 3.38Å; K135-D139 VanDerWaalsContact O-CG 3.24Å; K135-D139 PolarHBondContact O-N 3.42Å; G136-D139 PolarHBondContact O-N 2.89Å; D139-R141 PolarHBondContact O-N 3.45Å; D139-K142 PolarHBondContact O-N 3.28Å; D139-L143 PolarHBondContact O-N 3.34Å; D139-S298 PolarHBondContact OD2-OG 3.23Å; D139-F299 HydrophobicContact CB-CE2 4Å; D139-F299 HydrophobicContact CB-CZ 3.8Å
140	H	97.8	Very high	95.7	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.009	25%	0.251	C	S	.	.	H	α-helix	trans	-65.3	-39.8	179.2	-70.2	69.7	0	0	0	112.4	L128 G136 L143 A144 Y284 S298 N303	L128-H140 HydrophobicContact CB-CB 4.46Å; L128-H140 HydrophobicContact CD1-CB 4.13Å; G136-H140 PolarHBondContact O-N 3.36Å; G136-H140 VanDerWaalsContact O-N 3.13Å; G136-H140 PolarHBondContact O-ND1 2.66Å; H140-L143 PolarHBondContact O-N 3.28Å; H140-A144 WeakPolarHBondContact O-CB 3.27Å; H140-A144 PolarHBondContact O-N 2.86Å; H140-Y284 AromaticContact CD2-CE2 3.7Å; H140-Y284 AromaticContact NE2-CE2 3.74Å; H140-Y284 AromaticContact NE2-CZ 3.77Å; H140-Y284 PolarHBondContact NE2-OH 3.13Å; H140-S298 PolarHBondContact CE1-O 3.29Å; H140-S298 PolarHBondContact CE1-OG 3.01Å; H140-S298 VanDerWaalsContact CE1-OG 3.27Å; H140-S298 PolarHBondContact ND1-OG 3.2Å; H140-N303 WeakPolarHBondContact NE2-CB 3.37Å
141	R	98	Very high	95.3	Very high	29 Å²	29	52.8 Å²	52.8	11%	0.109	25%	0.249	C	C	.	.	H	α-helix	trans	-65.1	-43.6	178.3	177.9	62.9	-176.9	-140.6	-1.6	110.8	L128 W137 I138 D139 A144 C145 H453 C454	L128-R141 HydrophobicContact CD1-CB 3.82Å; W137-R141 HydrophobicContact CD2-CB 4.41Å; W137-R141 HydrophobicContact CH2-CB 4.46Å; W137-R141 HydrophobicContact CH2-CG 4.1Å; W137-R141 HydrophobicContact CZ2-CB 4.06Å; W137-R141 HydrophobicContact CZ2-CG 3.77Å; W137-R141 WeakPolarHBondContact O-CB 3.25Å; W137-R141 PolarHBondContact O-N 3.49Å; I138-R141 PolarHBondContact O-N 3.02Å; D139-R141 PolarHBondContact O-N 3.45Å; R141-A144 PolarHBondContact O-N 3.42Å; R141-C145 PolarHBondContact NE-SG 2.99Å; R141-C145 WeakPolarHBondContact O-CB 3.09Å; R141-C145 PolarHBondContact O-N 3.09Å; R141-C145 PolarHBondContact O-SG 2.95Å; R141-C145 VanDerWaalsContact O-SG 3.34Å; R141-H453 VanDerWaalsContact CZ-O 3.28Å; R141-H453 PolarHBondContact NH1-O 2.96Å; R141-H453 PolarHBondContact NH2-NE2 3.22Å; R141-H453 PolarHBondContact NH2-O 3.12Å; R141-C454 PolarHBondContact NH2-O 3.05Å
142	K	97.4	Very high	94.8	Very high	135 Å²	135	52.2 Å²	52.2	59%	0.587	25%	0.246	S	C	*	.	H	α-helix	trans	-62.2	-47.2	177.5	-175.4	-178.1	177.2	-170.2	0	110.5	I138 D139 C145 N146	I138-K142 VanDerWaalsContact O-CB 3.26Å; I138-K142 WeakPolarHBondContact O-CB 3.44Å; I138-K142 PolarHBondContact O-N 2.82Å; D139-K142 PolarHBondContact O-N 3.28Å; K142-C145 PolarHBondContact O-N 2.86Å; K142-N146 VanDerWaalsContact O-CB 3.31Å; K142-N146 WeakPolarHBondContact O-CB 3.36Å; K142-N146 PolarHBondContact O-N 2.94Å; K142-N146 PolarHBondContact O-ND2 3.32Å
143	L	97.7	Very high	93.7	Very high	12 Å²	12	50.1 Å²	50.1	6%	0.063	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-51.5	176.3	-178.7	63.7	0	0	0	111.1	D139 H140 C145 N146 S147 Y280 A283 Y284 E287 F299	D139-L143 PolarHBondContact O-N 3.34Å; H140-L143 PolarHBondContact O-N 3.28Å; L143-C145 PolarHBondContact O-N 3.23Å; L143-N146 PolarHBondContact O-N 3.3Å; L143-S147 WeakPolarHBondContact O-CB 3.46Å; L143-S147 PolarHBondContact O-N 3.4Å; L143-S147 PolarHBondContact O-OG 3.19Å; L143-Y280 HydrophobicContact CD2-CE2 4.02Å; L143-Y280 HydrophobicContact CG-CD2 4.43Å; L143-Y280 HydrophobicContact CG-CE2 3.88Å; L143-A283 HydrophobicContact CD1-CB 4.02Å; L143-Y284 HydrophobicContact CD2-CD2 3.5Å; L143-Y284 HydrophobicContact CD2-CE2 4.38Å; L143-Y284 HydrophobicContact CD2-CG 3.92Å; L143-E287 HydrophobicContact CD1-CG 4.15Å; L143-E287 HydrophobicContact CD2-CG 4.36Å; L143-F299 HydrophobicContact CD2-CE1 3.82Å
144	A	97.5	Very high	92.7	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60	-46.9	179.1	0	0	0	0	0	112.6	L128 H140 R141 N146 S147 F148 Y280 L311 V455	L128-A144 HydrophobicContact CD2-CB 3.68Å; H140-A144 WeakPolarHBondContact O-CB 3.27Å; H140-A144 PolarHBondContact O-N 2.86Å; R141-A144 PolarHBondContact O-N 3.42Å; A144-N146 VanDerWaalsContact C-N 3.34Å; A144-N146 PolarHBondContact O-N 3.48Å; A144-S147 PolarHBondContact O-N 3.37Å; A144-F148 WeakPolarHBondContact O-CB 3.13Å; A144-F148 VanDerWaalsContact O-CD2 3.22Å; A144-F148 WeakPolarHBondContact O-CD2 3.39Å; A144-F148 PolarHBondContact O-N 2.92Å; A144-Y280 HydrophobicContact CB-CE2 4.14Å; A144-L311 HydrophobicContact CB-CD1 4.47Å; A144-L311 HydrophobicContact CB-CD2 4.43Å; A144-V455 HydrophobicContact CB-CG2 4.14Å
145	C	96.2	Very high	91.7	Very high	47 Å²	47	52.6 Å²	52.6	32%	0.318	25%	0.253	S	S	.	.	H	α-helix	trans	-58.5	-45.9	175.8	-76.1	0	0	0	0	111.9	R141 K142 L143 R149	R141-C145 PolarHBondContact NE-SG 2.99Å; R141-C145 WeakPolarHBondContact O-CB 3.09Å; R141-C145 PolarHBondContact O-N 3.09Å; R141-C145 PolarHBondContact O-SG 2.95Å; R141-C145 VanDerWaalsContact O-SG 3.34Å; K142-C145 PolarHBondContact O-N 2.86Å; L143-C145 PolarHBondContact O-N 3.23Å; C145-R149 WeakPolarHBondContact O-CB 3.16Å; C145-R149 PolarHBondContact O-N 3.37Å
146	N	95.3	Very high	90.6	Very high	90 Å²	90	56.5 Å²	56.5	48%	0.481	27%	0.265	S	S	.	.	H	α-helix	trans	-64.4	-44.7	180	-73.2	-10.6	0	0	0	111.3	K142 L143 A144 R149 Y150	K142-N146 VanDerWaalsContact O-CB 3.31Å; K142-N146 WeakPolarHBondContact O-CB 3.36Å; K142-N146 PolarHBondContact O-N 2.94Å; K142-N146 PolarHBondContact O-ND2 3.32Å; L143-N146 PolarHBondContact O-N 3.3Å; A144-N146 VanDerWaalsContact C-N 3.34Å; A144-N146 PolarHBondContact O-N 3.48Å; N146-R149 PolarHBondContact O-N 3.48Å; N146-Y150 WeakPolarHBondContact O-CB 3.19Å; N146-Y150 PolarHBondContact O-N 3.46Å
147	S	95.1	Very high	89.9	Confident	4 Å²	4	60.3 Å²	60.3	3%	0.028	28%	0.28	C	S	.	.	H	α-helix	trans	-65.8	-43.6	178.7	-60.5	0	0	0	0	112.5	L143 A144 R149 Y150 Y151	L143-S147 WeakPolarHBondContact O-CB 3.46Å; L143-S147 PolarHBondContact O-N 3.4Å; L143-S147 PolarHBondContact O-OG 3.19Å; A144-S147 PolarHBondContact O-N 3.37Å; S147-R149 PolarHBondContact O-N 3.45Å; S147-Y150 PolarHBondContact O-N 3.15Å; S147-Y151 WeakPolarHBondContact O-CB 2.95Å; S147-Y151 VanDerWaalsContact O-CD2 3.32Å; S147-Y151 WeakPolarHBondContact O-CD2 3.29Å; S147-Y151 PolarHBondContact O-N 2.99Å
148	F	92.4	Very high	89.4	Confident	16 Å²	16	59.6 Å²	59.6	7%	0.07	28%	0.277	C	S	.	.	I	π-helix	trans	-65.8	-29.3	177	-87.7	-112.7	0	0	0	112.7	A144 G152 S153 V198 L311 L459	A144-F148 WeakPolarHBondContact O-CB 3.13Å; A144-F148 VanDerWaalsContact O-CD2 3.22Å; A144-F148 WeakPolarHBondContact O-CD2 3.39Å; A144-F148 PolarHBondContact O-N 2.92Å; F148-G152 CarbonylContact O-C 3.5Å; F148-G152 VanDerWaalsContact O-CA 3.27Å; F148-G152 WeakPolarHBondContact O-CA 3.47Å; F148-G152 PolarHBondContact O-N 3.27Å; F148-S153 PolarHBondContact O-N 2.88Å; F148-S153 PolarHBondContact O-OG 2.93Å; F148-V198 HydrophobicContact CD1-CG1 4.49Å; F148-V198 HydrophobicContact CD2-CG1 3.89Å; F148-V198 HydrophobicContact CE2-CG1 4.06Å; F148-V198 HydrophobicContact CG-CG1 4.13Å; F148-V198 HydrophobicContact CZ-CG1 4.43Å; F148-L311 HydrophobicContact CE2-CD1 4.02Å; F148-L311 HydrophobicContact CE2-CD2 3.74Å; F148-L311 HydrophobicContact CE2-CG 4.34Å; F148-L311 HydrophobicContact CZ-CB 4.45Å; F148-L311 HydrophobicContact CZ-CD2 3.87Å; F148-L459 HydrophobicContact CD1-CB 4.46Å; F148-L459 HydrophobicContact CD1-CD2 3.73Å; F148-L459 HydrophobicContact CE1-CD2 3.62Å
149	R	89.9	Confident	89	Confident	168 Å²	168	57.8 Å²	57.8	63%	0.634	27%	0.266	S	S	*	.	I	π-helix	trans	-73.2	-56.6	170.9	-166.3	175.1	106.6	161.2	4.3	110.5	C145 N146 S147 S154	C145-R149 WeakPolarHBondContact O-CB 3.16Å; C145-R149 PolarHBondContact O-N 3.37Å; N146-R149 PolarHBondContact O-N 3.48Å; S147-R149 PolarHBondContact O-N 3.45Å; R149-S154 VanDerWaalsContact O-CB 3.26Å; R149-S154 WeakPolarHBondContact O-CB 3.45Å; R149-S154 PolarHBondContact O-N 3.28Å; R149-S154 PolarHBondContact O-OG 3.15Å
150	Y	89.9	Confident	88.7	Confident	152 Å²	152	63.5 Å²	63.5	60%	0.596	29%	0.286	S	S	*	.	I	π-helix	trans	-70.6	-41.1	-169.4	-174	-96	0	0	0	113.9	N146 S147 Q155	N146-Y150 WeakPolarHBondContact O-CB 3.19Å; N146-Y150 PolarHBondContact O-N 3.46Å; S147-Y150 PolarHBondContact O-N 3.15Å; Y150-Q155 VanDerWaalsContact O-CD 3.29Å; Y150-Q155 WeakPolarHBondContact O-CG 3.25Å; Y150-Q155 PolarHBondContact O-NE2 2.84Å
151	Y	87.3	Confident	88.5	Confident	18 Å²	18	67.9 Å²	67.9	7%	0.071	30%	0.302	C	S	.	.	I	π-helix	trans	-94.6	-12.2	178.5	-55.4	-65.3	0	0	0	113.7	S147 F158 P277 R278 A283	S147-Y151 WeakPolarHBondContact O-CB 2.95Å; S147-Y151 VanDerWaalsContact O-CD2 3.32Å; S147-Y151 WeakPolarHBondContact O-CD2 3.29Å; S147-Y151 PolarHBondContact O-N 2.99Å; Y151-F158 VanDerWaalsContact O-CD2 3.23Å; Y151-F158 WeakPolarHBondContact O-CD2 3.46Å; Y151-P277 WeakPolarHBondContact CE1-O 3.2Å; Y151-P277 WeakPolarHBondContact OH-CB 3.37Å; Y151-P277 WeakPolarHBondContact OH-CG 3.37Å; Y151-P277 PolarHBondContact OH-O 2.74Å; Y151-R278 WeakPolarHBondContact CD1-O 3.4Å; Y151-R278 VanDerWaalsContact CE1-O 3.31Å; Y151-R278 WeakPolarHBondContact CE1-O 3.38Å; Y151-A283 HydrophobicContact CE2-CB 4.34Å
152	G	85.1	Confident	88.3	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	30%	0.297	C	S	.	.	I	π-helix	trans	-118.2	-107.3	-177.5	0	0	0	0	0	111.7	F148 S154 Q155 F158	F148-G152 CarbonylContact O-C 3.5Å; F148-G152 VanDerWaalsContact O-CA 3.27Å; F148-G152 WeakPolarHBondContact O-CA 3.47Å; F148-G152 PolarHBondContact O-N 3.27Å; G152-S154 VanDerWaalsContact C-N 3.29Å; G152-S154 PolarHBondContact O-N 2.68Å; G152-Q155 PolarHBondContact O-N 3.29Å; G152-F158 WeakPolarHBondContact O-CB 3.41Å; G152-F158 VanDerWaalsContact O-CG 3.32Å; G152-F158 WeakPolarHBondContact O-CG 3.45Å
153	S	74.3	Confident	88.1	Confident	22 Å²	22	61.1 Å²	61.1	15%	0.154	28%	0.275	C	S	.	.	I	π-helix	trans	-59.7	-23.1	-162	55.4	0	0	0	0	117.2	F148	F148-S153 PolarHBondContact O-N 2.88Å; F148-S153 PolarHBondContact O-OG 2.93Å
154	S	75.3	Confident	88	Confident	70 Å²	70	66 Å²	66	49%	0.49	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-11.8	178.5	72.2	0	0	0	0	114.4	R149 G152	R149-S154 VanDerWaalsContact O-CB 3.26Å; R149-S154 WeakPolarHBondContact O-CB 3.45Å; R149-S154 PolarHBondContact O-N 3.28Å; R149-S154 PolarHBondContact O-OG 3.15Å; G152-S154 VanDerWaalsContact C-N 3.29Å; G152-S154 PolarHBondContact O-N 2.68Å
155	Q	75.8	Confident	88	Confident	62 Å²	62	66.2 Å²	66.2	29%	0.29	30%	0.299	S	S	.	.			trans	-83.3	123.8	177.1	-57.6	-167.2	-1.2	0	0	109.9	Y150 G152 L157 F158	Y150-Q155 VanDerWaalsContact O-CD 3.29Å; Y150-Q155 WeakPolarHBondContact O-CG 3.25Å; Y150-Q155 PolarHBondContact O-NE2 2.84Å; G152-Q155 PolarHBondContact O-N 3.29Å; Q155-L157 PolarHBondContact O-N 3.03Å; Q155-L157 VanDerWaalsContact O-N 3.15Å; Q155-F158 HydrophobicContact CB-CB 3.94Å; Q155-F158 WeakPolarHBondContact O-CB 3.31Å; Q155-F158 PolarHBondContact O-N 2.84Å
156	R	71.8	Confident	88.1	Confident	208 Å²	208	64 Å²	64	79%	0.785	28%	0.284	S	S	*	.	H	α-helix	trans	-57.1	-30.7	173.3	-168	176.3	-175.6	-179.3	2.8	112.7	F158	R156-F158 VanDerWaalsContact C-N 3.32Å
157	L	79.7	Confident	88.1	Confident	100 Å²	100	62.6 Å²	62.6	52%	0.524	28%	0.275	S	S	.	.	H	α-helix	trans	-74.8	-20.7	176.7	-67.4	175.2	0	0	0	113.2	Q155 R160 R161	Q155-L157 PolarHBondContact O-N 3.03Å; Q155-L157 VanDerWaalsContact O-N 3.15Å; L157-R160 WeakPolarHBondContact O-CB 3.5Å; L157-R160 PolarHBondContact O-N 3.32Å; L157-R161 PolarHBondContact O-N 3.31Å
158	F	87.2	Confident	88.2	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-71.9	-35.4	-176.7	-170.3	-100.2	0	0	0	112.2	Y151 G152 Q155 R156 R160 R161 I162 I194 L197 V198 L459 M462	Y151-F158 VanDerWaalsContact O-CD2 3.23Å; Y151-F158 WeakPolarHBondContact O-CD2 3.46Å; G152-F158 WeakPolarHBondContact O-CB 3.41Å; G152-F158 VanDerWaalsContact O-CG 3.32Å; G152-F158 WeakPolarHBondContact O-CG 3.45Å; Q155-F158 HydrophobicContact CB-CB 3.94Å; Q155-F158 WeakPolarHBondContact O-CB 3.31Å; Q155-F158 PolarHBondContact O-N 2.84Å; R156-F158 VanDerWaalsContact C-N 3.32Å; F158-R160 VanDerWaalsContact C-N 3.25Å; F158-R160 PolarHBondContact O-N 3.4Å; F158-R161 WeakPolarHBondContact O-CB 3.45Å; F158-R161 PolarHBondContact O-N 2.86Å; F158-R161 VanDerWaalsContact O-N 3.08Å; F158-I162 HydrophobicContact CD1-CD1 3.94Å; F158-I162 HydrophobicContact CD1-CG1 4.23Å; F158-I162 HydrophobicContact CE1-CD1 3.8Å; F158-I162 HydrophobicContact CE1-CG1 4Å; F158-I162 PolarHBondContact O-N 3.4Å; F158-I194 HydrophobicContact CE1-CG2 4.08Å; F158-I194 HydrophobicContact CZ-CG2 3.83Å; F158-L197 HydrophobicContact CE2-CB 4.09Å; F158-V198 HydrophobicContact CE2-CG2 3.7Å; F158-V198 HydrophobicContact CZ-CG2 3.53Å; F158-L459 HydrophobicContact CE1-CD1 3.5Å; F158-L459 HydrophobicContact CZ-CD1 4.1Å; F158-M462 HydrophobicContact CD1-CE 4.38Å
159	E	89.4	Confident	88.5	Confident	42 Å²	42	66 Å²	66	20%	0.196	29%	0.289	C	S	.	.	H	α-helix	trans	-55.2	-43.4	170.3	-177.3	178.2	157.8	0	0	111.6	R161 I162 T163 S357 L358 L466	E159-R161 VanDerWaalsContact C-N 3.29Å; E159-R161 PolarHBondContact O-N 3.13Å; E159-I162 WeakPolarHBondContact O-CB 3.31Å; E159-I162 PolarHBondContact O-N 3.16Å; E159-I162 VanDerWaalsContact O-N 3.1Å; E159-T163 PolarHBondContact O-N 2.92Å; E159-T163 PolarHBondContact O-OG1 2.95Å; E159-S357 WeakPolarHBondContact OE1-CA 3.19Å; E159-S357 WeakPolarHBondContact OE1-CB 3.4Å; E159-L358 HydrophobicContact CB-CD1 4.38Å; E159-L358 HydrophobicContact CG-CD1 4.06Å; E159-L358 HydrophobicContact CG-CG 4.1Å; E159-L358 PolarHBondContact OE1-N 3.19Å; E159-L466 HydrophobicContact CG-CD1 4.17Å
160	R	90.2	Very high	88.8	Confident	157 Å²	157	58 Å²	58	59%	0.592	26%	0.26	S	S	*	.	H	α-helix	trans	-59.7	-40.3	176.7	-63.6	-176.6	177.5	178.9	-2.9	112	L157 F158 I162 T163 E164	L157-R160 WeakPolarHBondContact O-CB 3.5Å; L157-R160 PolarHBondContact O-N 3.32Å; F158-R160 VanDerWaalsContact C-N 3.25Å; F158-R160 PolarHBondContact O-N 3.4Å; R160-I162 VanDerWaalsContact C-N 3.33Å; R160-I162 PolarHBondContact O-N 3Å; R160-T163 PolarHBondContact O-N 3.46Å; R160-E164 WeakPolarHBondContact O-CG 3.47Å; R160-E164 PolarHBondContact O-N 3.43Å
161	R	93	Very high	89.1	Confident	93 Å²	93	54.7 Å²	54.7	35%	0.351	25%	0.252	S	S	.	.	H	α-helix	trans	-64.4	-36.8	176.2	-64.5	-178.6	176.7	-176.3	-2.2	112.3	L157 F158 E159 E164 E165 L197	L157-R161 PolarHBondContact O-N 3.31Å; F158-R161 WeakPolarHBondContact O-CB 3.45Å; F158-R161 PolarHBondContact O-N 2.86Å; F158-R161 VanDerWaalsContact O-N 3.08Å; E159-R161 VanDerWaalsContact C-N 3.29Å; E159-R161 PolarHBondContact O-N 3.13Å; R161-E164 PolarHBondContact O-N 2.99Å; R161-E165 PolarHBondContact O-N 2.86Å; R161-L197 HydrophobicContact CB-CD1 3.9Å
162	I	94.4	Very high	89.6	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.8	-44.5	173	-57.6	169.9	0	0	0	110	F158 E159 R160 E164 E165 C166 I194 M462 L466 F467	F158-I162 HydrophobicContact CD1-CD1 3.94Å; F158-I162 HydrophobicContact CD1-CG1 4.23Å; F158-I162 HydrophobicContact CE1-CD1 3.8Å; F158-I162 HydrophobicContact CE1-CG1 4Å; F158-I162 PolarHBondContact O-N 3.4Å; E159-I162 WeakPolarHBondContact O-CB 3.31Å; E159-I162 PolarHBondContact O-N 3.16Å; E159-I162 VanDerWaalsContact O-N 3.1Å; R160-I162 VanDerWaalsContact C-N 3.33Å; R160-I162 PolarHBondContact O-N 3Å; I162-E164 VanDerWaalsContact C-N 3.35Å; I162-E164 PolarHBondContact O-N 3.09Å; I162-E165 PolarHBondContact O-N 3.38Å; I162-C166 PolarHBondContact O-N 2.91Å; I162-C166 PolarHBondContact O-SG 2.65Å; I162-I194 HydrophobicContact CB-CD1 4.18Å; I162-I194 HydrophobicContact CD1-CG2 4.44Å; I162-I194 HydrophobicContact CG1-CD1 3.99Å; I162-I194 HydrophobicContact CG1-CG2 4.03Å; I162-I194 HydrophobicContact CG2-CD1 4.19Å; I162-M462 HydrophobicContact CD1-CB 4.23Å; I162-M462 HydrophobicContact CD1-CE 3.98Å; I162-L466 HydrophobicContact CB-CD1 3.89Å; I162-L466 HydrophobicContact CD1-CD1 4.12Å; I162-L466 HydrophobicContact CG2-CB 4.06Å; I162-L466 HydrophobicContact CG2-CD1 3.62Å; I162-L466 HydrophobicContact CG2-CG 4.5Å; I162-F467 HydrophobicContact CG2-CE2 4.47Å
163	T	93.3	Very high	90.2	Very high	23 Å²	23	54.7 Å²	54.7	14%	0.141	25%	0.254	C	S	.	.	H	α-helix	trans	-63.6	-38.5	177.8	-55.6	0	0	0	0	112.3	E159 R160 C166 M167 P355	E159-T163 PolarHBondContact O-N 2.92Å; E159-T163 PolarHBondContact O-OG1 2.95Å; R160-T163 PolarHBondContact O-N 3.46Å; T163-C166 WeakPolarHBondContact O-CB 3.34Å; T163-C166 PolarHBondContact O-N 3.46Å; T163-M167 WeakPolarHBondContact O-CG 3.42Å; T163-M167 PolarHBondContact O-N 3.03Å; T163-P355 HydrophobicContact CG2-CB 3.99Å
164	E	95.2	Very high	91.2	Very high	115 Å²	115	56.1 Å²	56.1	54%	0.537	26%	0.26	S	S	.	.	H	α-helix	trans	-59.4	-46.2	172	-74.8	166	-168.9	0	0	111.3	R160 R161 I162 C166 M167 F168	R160-E164 WeakPolarHBondContact O-CG 3.47Å; R160-E164 PolarHBondContact O-N 3.43Å; R161-E164 PolarHBondContact O-N 2.99Å; I162-E164 VanDerWaalsContact C-N 3.35Å; I162-E164 PolarHBondContact O-N 3.09Å; E164-C166 VanDerWaalsContact C-N 3.33Å; E164-C166 PolarHBondContact O-N 2.78Å; E164-M167 WeakPolarHBondContact O-CB 3.36Å; E164-M167 PolarHBondContact O-N 2.84Å; E164-M167 VanDerWaalsContact O-N 3.09Å; E164-F168 VanDerWaalsContact O-CD2 3.32Å; E164-F168 WeakPolarHBondContact O-CD2 3.31Å; E164-F168 PolarHBondContact O-N 3.49Å
165	E	97.6	Very high	92.2	Very high	3 Å²	3	60.3 Å²	60.3	1%	0.014	27%	0.27	C	S	.	.	H	α-helix	trans	-66.6	-34.5	176.8	-163.4	62.2	-149	0	0	112.4	R161 I162 M167 F168 L169 A190 N193 I194 R203 Y206 F467	R161-E165 PolarHBondContact O-N 2.86Å; I162-E165 PolarHBondContact O-N 3.38Å; E165-M167 VanDerWaalsContact C-N 3.26Å; E165-M167 PolarHBondContact O-N 3.05Å; E165-F168 PolarHBondContact O-N 3.22Å; E165-L169 PolarHBondContact O-N 3.29Å; E165-A190 HydrophobicContact CG-CB 4.26Å; E165-A190 WeakPolarHBondContact CG-O 3.49Å; E165-N193 HydrophobicContact CG-CB 4.07Å; E165-N193 PolarHBondContact OE1-ND2 3.11Å; E165-I194 HydrophobicContact CB-CD1 3.65Å; E165-I194 HydrophobicContact CG-CD1 3.88Å; E165-R203 IonicContact OE1-NH2 3.37Å; E165-R203 IonicContact OE2-CZ 2.89Å; E165-R203 IonicContact OE2-NE 2.65Å; E165-R203 PolarHBondContact OE2-NE 3.39Å; E165-R203 IonicContact OE2-NH2 3.83Å; E165-Y206 WeakPolarHBondContact OE1-CE1 3Å; E165-Y206 VanDerWaalsContact OE1-CZ 3.24Å; E165-Y206 PolarHBondContact OE1-OH 3.19Å; E165-F467 HydrophobicContact CB-CZ 4.47Å; E165-F467 HydrophobicContact CG-CZ 4.24Å
166	C	97.1	Very high	93.2	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.014	27%	0.273	C	S	.	.	H	α-helix	trans	-59.3	-39.4	170.1	-65.6	0	0	0	0	111.4	I162 T163 E164 L169 V170 F467 T470	I162-C166 PolarHBondContact O-N 2.91Å; I162-C166 PolarHBondContact O-SG 2.65Å; T163-C166 WeakPolarHBondContact O-CB 3.34Å; T163-C166 PolarHBondContact O-N 3.46Å; E164-C166 VanDerWaalsContact C-N 3.33Å; E164-C166 PolarHBondContact O-N 2.78Å; C166-L169 WeakPolarHBondContact O-CB 3.13Å; C166-L169 PolarHBondContact O-N 2.9Å; C166-V170 VanDerWaalsContact O-CG2 3.28Å; C166-V170 WeakPolarHBondContact O-CG2 3.27Å; C166-V170 PolarHBondContact O-N 3.42Å; C166-F467 HydrophobicContact CB-CD1 4.22Å; C166-F467 HydrophobicContact CB-CE1 4.28Å; C166-F467 WeakPolarHBondContact SG-CD1 3.23Å; C166-F467 VanDerWaalsContact SG-CE1 3.6Å; C166-T470 HydrophobicContact CB-CG2 3.92Å
167	M	96.4	Very high	94.3	Very high	59 Å²	59	60.7 Å²	60.7	29%	0.291	27%	0.274	S	S	.	.	H	α-helix	trans	-69.9	-40.9	177.1	-68.4	-56.7	-54.8	0	0	112.1	T163 E164 E165 L169 V170 D171	T163-M167 WeakPolarHBondContact O-CG 3.42Å; T163-M167 PolarHBondContact O-N 3.03Å; E164-M167 WeakPolarHBondContact O-CB 3.36Å; E164-M167 PolarHBondContact O-N 2.84Å; E164-M167 VanDerWaalsContact O-N 3.09Å; E165-M167 VanDerWaalsContact C-N 3.26Å; E165-M167 PolarHBondContact O-N 3.05Å; M167-L169 VanDerWaalsContact C-N 3.26Å; M167-L169 PolarHBondContact O-N 3.21Å; M167-V170 PolarHBondContact O-N 3.18Å; M167-V170 VanDerWaalsContact O-N 3.16Å; M167-D171 WeakPolarHBondContact O-CB 3.29Å; M167-D171 VanDerWaalsContact O-CG 3.26Å; M167-D171 PolarHBondContact O-N 3.49Å
168	F	97.1	Very high	94.9	Very high	89 Å²	89	57.3 Å²	57.3	39%	0.39	26%	0.263	S	S	.	.	H	α-helix	trans	-58	-38.9	171.9	-75.8	-60.2	0	0	0	112.6	E164 E165 S172 Y206	E164-F168 VanDerWaalsContact O-CD2 3.32Å; E164-F168 WeakPolarHBondContact O-CD2 3.31Å; E164-F168 PolarHBondContact O-N 3.49Å; E165-F168 PolarHBondContact O-N 3.22Å; F168-S172 WeakPolarHBondContact O-CB 3.13Å; F168-S172 PolarHBondContact O-N 2.61Å; F168-S172 PolarHBondContact O-OG 3.09Å; F168-Y206 HydrophobicContact CB-CE2 4.42Å
169	L	97.7	Very high	95.4	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-48	174.1	177.9	60.8	0	0	0	111.6	E165 C166 M167 D171 S172 I173 L186 A190 F467 L471	E165-L169 PolarHBondContact O-N 3.29Å; C166-L169 WeakPolarHBondContact O-CB 3.13Å; C166-L169 PolarHBondContact O-N 2.9Å; M167-L169 VanDerWaalsContact C-N 3.26Å; M167-L169 PolarHBondContact O-N 3.21Å; L169-D171 PolarHBondContact O-N 3.38Å; L169-S172 PolarHBondContact O-N 3.39Å; L169-I173 HydrophobicContact CD1-CD1 4.02Å; L169-I173 HydrophobicContact CD1-CG1 4.31Å; L169-I173 HydrophobicContact CG-CD1 4.01Å; L169-I173 WeakPolarHBondContact O-CG1 3.41Å; L169-I173 PolarHBondContact O-N 2.95Å; L169-L186 HydrophobicContact CD1-CB 3.71Å; L169-A190 HydrophobicContact CB-CB 4.11Å; L169-A190 HydrophobicContact CD1-CB 4.33Å; L169-A190 HydrophobicContact CD2-CB 4.12Å; L169-A190 HydrophobicContact CG-CB 4.42Å; L169-F467 HydrophobicContact CD2-CD1 3.72Å; L169-F467 HydrophobicContact CD2-CE1 3.97Å; L169-L471 HydrophobicContact CD2-CD1 4.29Å; L169-L471 HydrophobicContact CD2-CD2 4.08Å; L169-L471 HydrophobicContact CD2-CG 4.43Å; L169-L471 HydrophobicContact CG-CD2 4.34Å
170	V	97.3	Very high	95.8	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-57.2	-48.4	177.2	165.1	0	0	0	0	111.1	C166 M167 S172 I173 D174 T470 R474 F475 R506	C166-V170 VanDerWaalsContact O-CG2 3.28Å; C166-V170 WeakPolarHBondContact O-CG2 3.27Å; C166-V170 PolarHBondContact O-N 3.42Å; M167-V170 PolarHBondContact O-N 3.18Å; M167-V170 VanDerWaalsContact O-N 3.16Å; V170-S172 VanDerWaalsContact C-N 3.26Å; V170-S172 PolarHBondContact O-N 3.29Å; V170-I173 PolarHBondContact O-N 3.41Å; V170-D174 PolarHBondContact O-N 2.93Å; V170-T470 HydrophobicContact CG2-CG2 3.88Å; V170-R474 HydrophobicContact CG1-CG 4.23Å; V170-R474 HydrophobicContact CG2-CG 4.2Å; V170-F475 HydrophobicContact CB-CE2 4.27Å; V170-F475 HydrophobicContact CG1-CE2 3.91Å; V170-F475 HydrophobicContact CG1-CZ 4.01Å; V170-F475 HydrophobicContact CG2-CE2 4.11Å; V170-R506 VanDerWaalsContact CG1-NH2 3.26Å
171	D	96.8	Very high	96.1	Very high	82 Å²	82	58.5 Å²	58.5	44%	0.439	28%	0.28	S	S	.	.	H	α-helix	trans	-63.5	-35.8	-179.7	-68.4	-12.9	0	0	0	111.4	M167 L169 D174 K175	M167-D171 WeakPolarHBondContact O-CB 3.29Å; M167-D171 VanDerWaalsContact O-CG 3.26Å; M167-D171 PolarHBondContact O-N 3.49Å; L169-D171 PolarHBondContact O-N 3.38Å; D171-D174 PolarHBondContact O-N 2.82Å; D171-K175 PolarHBondContact O-N 2.94Å
172	S	96.9	Very high	96.2	Very high	13 Å²	13	56.8 Å²	56.8	9%	0.091	28%	0.277	C	S	.	.	H	α-helix	trans	-70.4	-35.8	176.3	-61.4	0	0	0	0	112.7	F168 L169 V170 Y206	F168-S172 WeakPolarHBondContact O-CB 3.13Å; F168-S172 PolarHBondContact O-N 2.61Å; F168-S172 PolarHBondContact O-OG 3.09Å; L169-S172 PolarHBondContact O-N 3.39Å; V170-S172 VanDerWaalsContact C-N 3.26Å; V170-S172 PolarHBondContact O-N 3.29Å; S172-Y206 VanDerWaalsContact OG-CD2 3.31Å; S172-Y206 WeakPolarHBondContact OG-CD2 3.5Å; S172-Y206 WeakPolarHBondContact OG-CE2 3.37Å
173	I	97.4	Very high	96.3	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-68.8	-38.9	173.6	-69.4	170.5	0	0	0	110.6	L169 V170 K175 Y176 F181 L186 L471 F475 A504	L169-I173 HydrophobicContact CD1-CD1 4.02Å; L169-I173 HydrophobicContact CD1-CG1 4.31Å; L169-I173 HydrophobicContact CG-CD1 4.01Å; L169-I173 WeakPolarHBondContact O-CG1 3.41Å; L169-I173 PolarHBondContact O-N 2.95Å; V170-I173 PolarHBondContact O-N 3.41Å; I173-K175 PolarHBondContact O-N 3.06Å; I173-Y176 WeakPolarHBondContact O-CB 3.31Å; I173-Y176 PolarHBondContact O-N 3.21Å; I173-F181 HydrophobicContact CB-CZ 4.41Å; I173-F181 HydrophobicContact CD1-CZ 4.32Å; I173-F181 HydrophobicContact CG1-CE2 4.2Å; I173-F181 HydrophobicContact CG1-CZ 3.89Å; I173-F181 HydrophobicContact CG2-CE1 4.04Å; I173-F181 HydrophobicContact CG2-CZ 3.87Å; I173-L186 HydrophobicContact CG1-CD1 3.91Å; I173-L471 HydrophobicContact CD1-CD2 3.47Å; I173-L471 VanDerWaalsContact CD1-CD2 3.47Å; I173-F475 HydrophobicContact CB-CE2 4.27Å; I173-F475 HydrophobicContact CB-CZ 4.16Å; I173-F475 HydrophobicContact CG2-CD2 4.46Å; I173-F475 HydrophobicContact CG2-CE1 4.08Å; I173-F475 HydrophobicContact CG2-CE2 3.96Å; I173-F475 HydrophobicContact CG2-CZ 3.76Å; I173-A504 HydrophobicContact CG2-CB 3.48Å; I173-A504 VanDerWaalsContact CG2-CB 3.48Å
174	D	95.3	Very high	96.4	Very high	53 Å²	53	57.9 Å²	57.9	28%	0.283	28%	0.28	S	S	.	.	H	α-helix	trans	-60.3	-29.2	179.4	-103.4	1.4	0	0	0	114	V170 D171 Y176 K177 F475 R506	V170-D174 PolarHBondContact O-N 2.93Å; D171-D174 PolarHBondContact O-N 2.82Å; D174-Y176 PolarHBondContact O-N 2.95Å; D174-Y176 VanDerWaalsContact O-N 3.12Å; D174-K177 PolarHBondContact O-N 3.36Å; D174-F475 WeakPolarHBondContact OD1-CE1 3.26Å; D174-F475 WeakPolarHBondContact OD1-CZ 3.48Å; D174-R506 VanDerWaalsContact CG-NE 3.29Å; D174-R506 IonicContact OD1-CZ 3.6Å; D174-R506 IonicContact OD1-NE 2.78Å; D174-R506 PolarHBondContact OD1-NE 3.25Å; D174-R506 IonicContact OD1-NH2 3.66Å; D174-R506 IonicContact OD2-CZ 3.19Å; D174-R506 IonicContact OD2-NE 3.03Å; D174-R506 PolarHBondContact OD2-NE 2.99Å; D174-R506 IonicContact OD2-NH2 2.61Å; D174-R506 PolarHBondContact OD2-NH2 3.07Å
175	K	96.4	Very high	96.3	Very high	157 Å²	157	57 Å²	57	68%	0.683	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.6	174.6	-67.5	173.7	-175.5	175.9	0	112.5	D171 I173 K177	D171-K175 PolarHBondContact O-N 2.94Å; I173-K175 PolarHBondContact O-N 3.06Å; K175-K177 VanDerWaalsContact C-N 3.3Å; K175-K177 PolarHBondContact O-N 3.03Å
176	Y	96.6	Very high	96.2	Very high	94 Å²	94	57.9 Å²	57.9	37%	0.369	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-15.2	177.1	-69	-90.8	0	0	0	113.3	I173 D174 G178 K179 F181 L186	I173-Y176 WeakPolarHBondContact O-CB 3.31Å; I173-Y176 PolarHBondContact O-N 3.21Å; D174-Y176 PolarHBondContact O-N 2.95Å; D174-Y176 VanDerWaalsContact O-N 3.12Å; Y176-G178 VanDerWaalsContact C-N 3.27Å; Y176-G178 PolarHBondContact O-N 3.08Å; Y176-K179 WeakPolarHBondContact O-CB 3.42Å; Y176-K179 VanDerWaalsContact O-CG 3.24Å; Y176-K179 WeakPolarHBondContact O-CG 3.37Å; Y176-K179 PolarHBondContact O-N 3.38Å; Y176-F181 HydrophobicContact CD1-CB 3.42Å; Y176-F181 VanDerWaalsContact CD1-CB 3.42Å; Y176-F181 HydrophobicContact CD1-CD1 4.43Å; Y176-F181 HydrophobicContact CD1-CG 4.08Å; Y176-F181 HydrophobicContact CD2-CB 4.3Å; Y176-F181 HydrophobicContact CD2-CD1 4.37Å; Y176-F181 HydrophobicContact CD2-CD2 4.46Å; Y176-F181 HydrophobicContact CD2-CG 4.13Å; Y176-F181 HydrophobicContact CE1-CB 3.32Å; Y176-F181 HydrophobicContact CE1-CG 4.16Å; Y176-F181 HydrophobicContact CE2-CB 4.25Å; Y176-F181 HydrophobicContact CE2-CD2 4.28Å; Y176-F181 HydrophobicContact CE2-CG 4.25Å; Y176-F181 HydrophobicContact CG-CB 3.91Å; Y176-F181 HydrophobicContact CG-CD1 4.1Å; Y176-F181 HydrophobicContact CG-CG 4.04Å; Y176-L186 HydrophobicContact CE2-CD1 3.99Å
177	K	95.1	Very high	96.2	Very high	184 Å²	184	57.8 Å²	57.8	80%	0.8	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	44.9	176.8	-58.1	-174.9	178.8	-175.5	0	113.2	D174 K175 K179	D174-K177 PolarHBondContact O-N 3.36Å; K175-K177 VanDerWaalsContact C-N 3.3Å; K175-K177 PolarHBondContact O-N 3.03Å; K177-K179 VanDerWaalsContact C-N 3.25Å; K177-K179 PolarHBondContact O-N 2.92Å
178	G	93.6	Very high	96.2	Very high	29 Å²	29	55.8 Å²	55.8	30%	0.299	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	-0.5	-178.4	0	0	0	0	0	115.8	Y176 C503 A504	Y176-G178 VanDerWaalsContact C-N 3.27Å; Y176-G178 PolarHBondContact O-N 3.08Å; G178-C503 WeakPolarHBondContact O-CB 3.21Å; G178-C503 PolarHBondContact O-SG 3.07Å; G178-A504 WeakPolarHBondContact CA-O 3.4Å
179	K	96.7	Very high	96.1	Very high	145 Å²	145	52 Å²	52	63%	0.63	26%	0.255	S	S	*	.			trans	-69.4	151.5	174	-64.1	178.2	180	-178.2	0	111.1	Y176 K177	Y176-K179 WeakPolarHBondContact O-CB 3.42Å; Y176-K179 VanDerWaalsContact O-CG 3.24Å; Y176-K179 WeakPolarHBondContact O-CG 3.37Å; Y176-K179 PolarHBondContact O-N 3.38Å; K177-K179 VanDerWaalsContact C-N 3.25Å; K177-K179 PolarHBondContact O-N 2.92Å
180	P	96.9	Very high	96.1	Very high	71 Å²	71	51.9 Å²	51.9	46%	0.461	25%	0.254	S	S	.	.			trans	-57.5	136.2	174.6	-24.5	33.7	0	0	0	112.6	P480 I502	P180-P480 HydrophobicContact CB-CB 4.38Å; P180-P480 HydrophobicContact CB-CG 3.69Å; P180-P480 HydrophobicContact CG-CB 3.91Å; P180-P480 HydrophobicContact CG-CG 3.75Å; P180-I502 WeakPolarHBondContact CA-O 3.34Å
181	F	96.9	Very high	96.1	Very high	9 Å²	9	51.9 Å²	51.9	4%	0.039	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-147.9	159.8	172.2	73.4	-78.8	0	0	0	111.7	I173 Y176 P183 L186 S501 I502 A504	I173-F181 HydrophobicContact CB-CZ 4.41Å; I173-F181 HydrophobicContact CD1-CZ 4.32Å; I173-F181 HydrophobicContact CG1-CE2 4.2Å; I173-F181 HydrophobicContact CG1-CZ 3.89Å; I173-F181 HydrophobicContact CG2-CE1 4.04Å; I173-F181 HydrophobicContact CG2-CZ 3.87Å; Y176-F181 HydrophobicContact CD1-CB 3.42Å; Y176-F181 VanDerWaalsContact CD1-CB 3.42Å; Y176-F181 HydrophobicContact CD1-CD1 4.43Å; Y176-F181 HydrophobicContact CD1-CG 4.08Å; Y176-F181 HydrophobicContact CD2-CB 4.3Å; Y176-F181 HydrophobicContact CD2-CD1 4.37Å; Y176-F181 HydrophobicContact CD2-CD2 4.46Å; Y176-F181 HydrophobicContact CD2-CG 4.13Å; Y176-F181 HydrophobicContact CE1-CB 3.32Å; Y176-F181 HydrophobicContact CE1-CG 4.16Å; Y176-F181 HydrophobicContact CE2-CB 4.25Å; Y176-F181 HydrophobicContact CE2-CD2 4.28Å; Y176-F181 HydrophobicContact CE2-CG 4.25Å; Y176-F181 HydrophobicContact CG-CB 3.91Å; Y176-F181 HydrophobicContact CG-CD1 4.1Å; Y176-F181 HydrophobicContact CG-CG 4.04Å; F181-P183 HydrophobicContact CE2-CB 4.01Å; F181-L186 HydrophobicContact CD2-CD1 4.22Å; F181-L186 HydrophobicContact CE2-CD1 3.97Å; F181-S501 CarbonylContact O-C 3.55Å; F181-S501 VanDerWaalsContact O-CA 3.25Å; F181-S501 WeakPolarHBondContact O-CA 3.45Å; F181-I502 WeakPolarHBondContact CD1-O 3.3Å; F181-I502 HydrophobicContact CE1-CG1 4.3Å; F181-I502 HydrophobicContact CZ-CD1 4.27Å; F181-I502 HydrophobicContact CZ-CG1 4.33Å; F181-I502 PolarHBondContact N-O 2.96Å; F181-I502 PolarHBondContact O-N 2.93Å; F181-A504 HydrophobicContact CE1-CB 4Å
182	N	96	Very high	96.1	Very high	56 Å²	56	48 Å²	48	30%	0.299	23%	0.233	S	C	.	.			trans	-89.9	120.8	172.1	-177.8	-22.9	0	0	0	109.5	K184 Y500	N182-K184 VanDerWaalsContact C-N 3.27Å; N182-K184 PolarHBondContact O-N 3.39Å; N182-K184 VanDerWaalsContact OD1-CB 3.3Å; N182-K184 WeakPolarHBondContact OD1-CB 3.38Å; N182-K184 PolarHBondContact OD1-N 3.16Å; N182-Y500 WeakPolarHBondContact CA-O 3.38Å
183	P	96.2	Very high	96.1	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	23%	0.23	C	C	.	.			trans	-75.6	-10	-174.3	29.8	-34.4	0	0	0	114.3	F181 H185 L186 V187 M327 Y500 I502	F181-P183 HydrophobicContact CE2-CB 4.01Å; P183-H185 PolarHBondContact O-N 3.02Å; P183-L186 PolarHBondContact O-N 3.27Å; P183-V187 HydrophobicContact CB-CG2 4.15Å; P183-V187 WeakPolarHBondContact O-CB 3.47Å; P183-V187 VanDerWaalsContact O-CG2 3.31Å; P183-V187 WeakPolarHBondContact O-CG2 3.42Å; P183-V187 PolarHBondContact O-N 3.18Å; P183-M327 HydrophobicContact CB-CE 4.06Å; P183-M327 HydrophobicContact CB-SD 3.82Å; P183-M327 HydrophobicContact CG-SD 4.3Å; P183-Y500 HydrophobicContact CG-CE2 3.64Å; P183-Y500 WeakPolarHBondContact CG-OH 3.48Å; P183-I502 HydrophobicContact CB-CD1 4.13Å; P183-I502 HydrophobicContact CG-CD1 3.96Å; P183-I502 HydrophobicContact CG-CG1 4.2Å
184	K	94.8	Very high	96	Very high	46 Å²	46	47.2 Å²	47.2	20%	0.2	23%	0.228	C	C	.	.	H	α-helix	trans	-50.3	-60.1	-170.7	-175.2	-179.7	177.7	-177.6	0	112.4	N182 L186 V187 T188	N182-K184 VanDerWaalsContact C-N 3.27Å; N182-K184 PolarHBondContact O-N 3.39Å; N182-K184 VanDerWaalsContact OD1-CB 3.3Å; N182-K184 WeakPolarHBondContact OD1-CB 3.38Å; N182-K184 PolarHBondContact OD1-N 3.16Å; K184-L186 PolarHBondContact O-N 3.02Å; K184-V187 PolarHBondContact O-N 3.42Å; K184-T188 VanDerWaalsContact O-CB 3.31Å; K184-T188 WeakPolarHBondContact O-CB 3.39Å; K184-T188 PolarHBondContact O-N 2.83Å; K184-T188 PolarHBondContact O-OG1 3.27Å
185	H	93.1	Very high	96	Very high	95 Å²	95	44.7 Å²	44.7	44%	0.44	22%	0.215	S	C	.	.	H	α-helix	trans	-64.2	-42.7	-173.6	-68.7	-80.5	0	0	0	113.2	P183 T188 N189	P183-H185 PolarHBondContact O-N 3.02Å; H185-T188 PolarHBondContact O-N 3.49Å; H185-N189 PolarHBondContact O-N 2.76Å; H185-N189 PolarHBondContact O-OD1 2.82Å
186	L	96.1	Very high	95.9	Very high	22 Å²	22	37.2 Å²	37.2	12%	0.115	18%	0.182	C	C	.	.	H	α-helix	trans	-64.5	-46	-179.8	-66.7	-177.3	0	0	0	111.9	L169 I173 Y176 F181 P183 K184 N189 A190 Y206	L169-L186 HydrophobicContact CD1-CB 3.71Å; I173-L186 HydrophobicContact CG1-CD1 3.91Å; Y176-L186 HydrophobicContact CE2-CD1 3.99Å; F181-L186 HydrophobicContact CD2-CD1 4.22Å; F181-L186 HydrophobicContact CE2-CD1 3.97Å; P183-L186 PolarHBondContact O-N 3.27Å; K184-L186 PolarHBondContact O-N 3.02Å; L186-N189 PolarHBondContact O-N 3.42Å; L186-A190 PolarHBondContact O-N 2.62Å; L186-A190 VanDerWaalsContact O-N 3.11Å; L186-Y206 HydrophobicContact CD2-CD2 4.35Å
187	V	97.4	Very high	95.8	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-65.6	-42.5	178.2	176.6	0	0	0	0	110.3	P183 K184 N189 A190 V191 T320 L323 M327	P183-V187 HydrophobicContact CB-CG2 4.15Å; P183-V187 WeakPolarHBondContact O-CB 3.47Å; P183-V187 VanDerWaalsContact O-CG2 3.31Å; P183-V187 WeakPolarHBondContact O-CG2 3.42Å; P183-V187 PolarHBondContact O-N 3.18Å; K184-V187 PolarHBondContact O-N 3.42Å; V187-N189 PolarHBondContact O-N 3.06Å; V187-A190 PolarHBondContact O-N 3.43Å; V187-V191 HydrophobicContact CG1-CG2 4.19Å; V187-V191 WeakPolarHBondContact O-CB 3.32Å; V187-V191 VanDerWaalsContact O-CG2 3.31Å; V187-V191 WeakPolarHBondContact O-CG2 3.1Å; V187-V191 PolarHBondContact O-N 3.4Å; V187-T320 HydrophobicContact CB-CG2 4.48Å; V187-T320 HydrophobicContact CG1-CG2 4.06Å; V187-L323 HydrophobicContact CG1-CB 3.82Å; V187-L323 HydrophobicContact CG1-CD1 4.01Å; V187-M327 HydrophobicContact CG2-SD 3.95Å
188	T	96.3	Very high	95.8	Very high	16 Å²	16	24.8 Å²	24.8	10%	0.098	13%	0.131	C	C	.	.	H	α-helix	trans	-57.5	-48.8	175.8	-65.9	0	0	0	0	111.6	K184 H185 A190 V191 S192 I215 T316 T320	K184-T188 VanDerWaalsContact O-CB 3.31Å; K184-T188 WeakPolarHBondContact O-CB 3.39Å; K184-T188 PolarHBondContact O-N 2.83Å; K184-T188 PolarHBondContact O-OG1 3.27Å; H185-T188 PolarHBondContact O-N 3.49Å; T188-A190 PolarHBondContact O-N 3.35Å; T188-V191 PolarHBondContact O-N 2.99Å; T188-S192 VanDerWaalsContact O-CB 3.24Å; T188-S192 WeakPolarHBondContact O-CB 3.39Å; T188-S192 PolarHBondContact O-N 2.84Å; T188-S192 PolarHBondContact O-OG 2.95Å; T188-I215 HydrophobicContact CG2-CG2 3.53Å; T188-T316 HydrophobicContact CG2-CG2 3.81Å; T188-T320 WeakPolarHBondContact CA-OG1 3.38Å; T188-T320 VanDerWaalsContact OG1-CG2 3.25Å; T188-T320 WeakPolarHBondContact OG1-CG2 3.3Å
189	N	95.4	Very high	95.9	Very high	10 Å²	10	23.4 Å²	23.4	5%	0.053	12%	0.117	C	C	.	.	H	α-helix	trans	-60.7	-46.2	179.7	-68.5	-10.1	0	0	0	111.9	H185 L186 V187 N193 Y206 Q212	H185-N189 PolarHBondContact O-N 2.76Å; H185-N189 PolarHBondContact O-OD1 2.82Å; L186-N189 PolarHBondContact O-N 3.42Å; V187-N189 PolarHBondContact O-N 3.06Å; N189-N193 WeakPolarHBondContact O-CB 3.43Å; N189-N193 PolarHBondContact O-N 3.49Å; N189-N193 VanDerWaalsContact O-N 3.07Å; N189-N193 PolarHBondContact O-ND2 2.84Å; N189-Y206 HydrophobicContact CB-CD1 3.53Å; N189-Y206 HydrophobicContact CB-CE1 3.59Å; N189-Y206 HydrophobicContact CB-CG 4.13Å; N189-Q212 PolarHBondContact ND2-NE2 3.48Å
190	A	97.3	Very high	95.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62	-47.9	-179	0	0	0	0	0	112.3	E165 L169 L186 V187 T188 N193 I194 Y206 F467	E165-A190 HydrophobicContact CG-CB 4.26Å; E165-A190 WeakPolarHBondContact CG-O 3.49Å; L169-A190 HydrophobicContact CB-CB 4.11Å; L169-A190 HydrophobicContact CD1-CB 4.33Å; L169-A190 HydrophobicContact CD2-CB 4.12Å; L169-A190 HydrophobicContact CG-CB 4.42Å; L186-A190 PolarHBondContact O-N 2.62Å; L186-A190 VanDerWaalsContact O-N 3.11Å; V187-A190 PolarHBondContact O-N 3.43Å; T188-A190 PolarHBondContact O-N 3.35Å; A190-N193 PolarHBondContact O-N 3.3Å; A190-I194 PolarHBondContact O-N 3.11Å; A190-Y206 WeakPolarHBondContact CB-OH 3.3Å; A190-F467 HydrophobicContact CB-CE1 3.73Å; A190-F467 HydrophobicContact CB-CZ 3.83Å
191	V	97	Very high	95.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-66.6	-46.3	179.4	169.7	0	0	0	0	111.4	V187 T188 N193 I194 T195 T319 L323 F467	V187-V191 HydrophobicContact CG1-CG2 4.19Å; V187-V191 WeakPolarHBondContact O-CB 3.32Å; V187-V191 VanDerWaalsContact O-CG2 3.31Å; V187-V191 WeakPolarHBondContact O-CG2 3.1Å; V187-V191 PolarHBondContact O-N 3.4Å; T188-V191 PolarHBondContact O-N 2.99Å; V191-N193 PolarHBondContact O-N 3.07Å; V191-I194 PolarHBondContact O-N 2.98Å; V191-I194 VanDerWaalsContact O-N 3.11Å; V191-T195 PolarHBondContact O-N 2.86Å; V191-T319 HydrophobicContact CG1-CG2 3.92Å; V191-T319 HydrophobicContact CG2-CG2 3.99Å; V191-L323 HydrophobicContact CG2-CD1 3.75Å; V191-F467 HydrophobicContact CG2-CE2 4.33Å
192	S	96.1	Very high	95.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-54.5	-42	176.9	-69	0	0	0	0	111.5	T188 I194 T195 N196 T316	T188-S192 VanDerWaalsContact O-CB 3.24Å; T188-S192 WeakPolarHBondContact O-CB 3.39Å; T188-S192 PolarHBondContact O-N 2.84Å; T188-S192 PolarHBondContact O-OG 2.95Å; S192-I194 VanDerWaalsContact C-N 3.3Å; S192-I194 PolarHBondContact O-N 3.04Å; S192-T195 PolarHBondContact O-N 2.84Å; S192-T195 VanDerWaalsContact O-N 3.13Å; S192-N196 WeakPolarHBondContact O-CB 3.25Å; S192-N196 PolarHBondContact O-N 3.28Å; S192-N196 PolarHBondContact O-ND2 3.41Å; S192-N196 VanDerWaalsContact O-ND2 3.1Å; S192-T316 WeakPolarHBondContact OG-CG2 3.22Å; S192-T316 PolarHBondContact OG-OG1 3.33Å; S192-T316 VanDerWaalsContact OG-OG1 3.12Å
193	N	96.7	Very high	95.1	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.011	10%	0.101	C	C	.	.	H	α-helix	trans	-61.4	-35.4	-179.8	-84.3	-19.9	0	0	0	113.4	E165 N189 A190 V191 T195 N196 L197 R203 F204	E165-N193 HydrophobicContact CG-CB 4.07Å; E165-N193 PolarHBondContact OE1-ND2 3.11Å; N189-N193 WeakPolarHBondContact O-CB 3.43Å; N189-N193 PolarHBondContact O-N 3.49Å; N189-N193 VanDerWaalsContact O-N 3.07Å; N189-N193 PolarHBondContact O-ND2 2.84Å; A190-N193 PolarHBondContact O-N 3.3Å; V191-N193 PolarHBondContact O-N 3.07Å; N193-T195 VanDerWaalsContact C-N 3.32Å; N193-T195 PolarHBondContact O-N 3.23Å; N193-N196 PolarHBondContact O-N 2.88Å; N193-L197 VanDerWaalsContact O-CG 3.27Å; N193-L197 WeakPolarHBondContact O-CG 3.46Å; N193-L197 PolarHBondContact O-N 2.92Å; N193-R203 HydrophobicContact CB-CB 4.16Å; N193-F204 PolarHBondContact ND2-O 3.47Å; N193-F204 PolarHBondContact OD1-N 3.07Å; N193-F204 PolarHBondContact OD1-O 3.1Å
194	I	96.6	Very high	95	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.7	-42.7	175.3	-54.9	-48.1	0	0	0	111.1	F158 I162 E165 A190 V191 S192 L197 L459 E463 F467	F158-I194 HydrophobicContact CE1-CG2 4.08Å; F158-I194 HydrophobicContact CZ-CG2 3.83Å; I162-I194 HydrophobicContact CB-CD1 4.18Å; I162-I194 HydrophobicContact CD1-CG2 4.44Å; I162-I194 HydrophobicContact CG1-CD1 3.99Å; I162-I194 HydrophobicContact CG1-CG2 4.03Å; I162-I194 HydrophobicContact CG2-CD1 4.19Å; E165-I194 HydrophobicContact CB-CD1 3.65Å; E165-I194 HydrophobicContact CG-CD1 3.88Å; A190-I194 PolarHBondContact O-N 3.11Å; V191-I194 PolarHBondContact O-N 2.98Å; V191-I194 VanDerWaalsContact O-N 3.11Å; S192-I194 VanDerWaalsContact C-N 3.3Å; S192-I194 PolarHBondContact O-N 3.04Å; I194-L197 PolarHBondContact O-N 3.36Å; I194-L459 HydrophobicContact CG2-CD1 3.86Å; I194-L459 HydrophobicContact CG2-CD2 4.47Å; I194-L459 HydrophobicContact CG2-CG 4.46Å; I194-E463 HydrophobicContact CB-CG 4.23Å; I194-E463 HydrophobicContact CG1-CG 4.2Å; I194-E463 HydrophobicContact CG2-CG 3.81Å; I194-F467 HydrophobicContact CD1-CZ 4.36Å; I194-F467 HydrophobicContact CG1-CE2 3.93Å; I194-F467 HydrophobicContact CG1-CZ 4.08Å
195	T	94.6	Very high	94.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-68.7	-40.6	176.7	-59.8	0	0	0	0	111.2	V191 S192 N193 L197 V198 I199	V191-T195 PolarHBondContact O-N 2.86Å; S192-T195 PolarHBondContact O-N 2.84Å; S192-T195 VanDerWaalsContact O-N 3.13Å; N193-T195 VanDerWaalsContact C-N 3.32Å; N193-T195 PolarHBondContact O-N 3.23Å; T195-L197 VanDerWaalsContact C-N 3.31Å; T195-L197 PolarHBondContact O-N 3.14Å; T195-V198 PolarHBondContact O-N 3.39Å; T195-I199 HydrophobicContact CG2-CD1 3.57Å; T195-I199 HydrophobicContact CG2-CG1 4.25Å; T195-I199 WeakPolarHBondContact O-CG1 3.32Å; T195-I199 PolarHBondContact O-N 2.98Å
196	N	95.4	Very high	94.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.7	-34.8	177.3	-67.3	-32.5	0	0	0	112.8	S192 N193 V198 I199 F200 G201 Q202 F204 F211	S192-N196 WeakPolarHBondContact O-CB 3.25Å; S192-N196 PolarHBondContact O-N 3.28Å; S192-N196 PolarHBondContact O-ND2 3.41Å; S192-N196 VanDerWaalsContact O-ND2 3.1Å; N193-N196 PolarHBondContact O-N 2.88Å; N196-V198 PolarHBondContact O-N 2.95Å; N196-I199 PolarHBondContact O-N 3.37Å; N196-F200 HydrophobicContact CB-CD2 4.1Å; N196-F200 WeakPolarHBondContact O-CA 3.31Å; N196-F200 PolarHBondContact O-N 3.46Å; N196-G201 PolarHBondContact O-N 3.39Å; N196-Q202 CarbonylContact C-O 3.2Å; N196-Q202 VanDerWaalsContact C-O 3.31Å; N196-Q202 WeakPolarHBondContact CB-O 3.19Å; N196-F204 HydrophobicContact CB-CD2 4.3Å; N196-F204 HydrophobicContact CB-CE2 4.23Å; N196-F204 VanDerWaalsContact ND2-CD2 3.29Å; N196-F204 WeakPolarHBondContact ND2-CD2 3.41Å; N196-F211 WeakPolarHBondContact ND2-CE2 3.43Å; N196-F211 WeakPolarHBondContact ND2-CZ 3.5Å
197	L	94.7	Very high	94.5	Very high	18 Å²	18	25.8 Å²	25.8	9%	0.094	14%	0.135	C	C	.	.	H	α-helix	trans	-61.5	-32.2	173.7	-73.9	169.4	0	0	0	112.6	F158 R161 N193 I194 T195 G201	F158-L197 HydrophobicContact CE2-CB 4.09Å; R161-L197 HydrophobicContact CB-CD1 3.9Å; N193-L197 VanDerWaalsContact O-CG 3.27Å; N193-L197 WeakPolarHBondContact O-CG 3.46Å; N193-L197 PolarHBondContact O-N 2.92Å; I194-L197 PolarHBondContact O-N 3.36Å; T195-L197 VanDerWaalsContact C-N 3.31Å; T195-L197 PolarHBondContact O-N 3.14Å; L197-G201 WeakPolarHBondContact O-CA 3.25Å; L197-G201 PolarHBondContact O-N 3.1Å
198	V	94.8	Very high	94.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-79.8	-38.8	175.7	179.3	0	0	0	0	111	F148 F158 T195 N196 H279 Y280	F148-V198 HydrophobicContact CD1-CG1 4.49Å; F148-V198 HydrophobicContact CD2-CG1 3.89Å; F148-V198 HydrophobicContact CE2-CG1 4.06Å; F148-V198 HydrophobicContact CG-CG1 4.13Å; F148-V198 HydrophobicContact CZ-CG1 4.43Å; F158-V198 HydrophobicContact CE2-CG2 3.7Å; F158-V198 HydrophobicContact CZ-CG2 3.53Å; T195-V198 PolarHBondContact O-N 3.39Å; N196-V198 PolarHBondContact O-N 2.95Å; V198-H279 WeakPolarHBondContact O-CB 3.31Å; V198-Y280 PolarHBondContact O-N 3.2Å
199	I	96.1	Very high	93.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-82.4	-48.7	-172	-65.3	177.8	0	0	0	112.7	T195 N196 H279 Y280 V281 V308 L311 I312	T195-I199 HydrophobicContact CG2-CD1 3.57Å; T195-I199 HydrophobicContact CG2-CG1 4.25Å; T195-I199 WeakPolarHBondContact O-CG1 3.32Å; T195-I199 PolarHBondContact O-N 2.98Å; N196-I199 PolarHBondContact O-N 3.37Å; I199-H279 WeakPolarHBondContact O-CB 3.38Å; I199-H279 PolarHBondContact O-ND1 2.86Å; I199-H279 VanDerWaalsContact O-ND1 3.14Å; I199-Y280 PolarHBondContact O-N 2.84Å; I199-V281 HydrophobicContact CG2-CG2 4.12Å; I199-V281 WeakPolarHBondContact O-CG2 3.44Å; I199-V281 PolarHBondContact O-N 3.22Å; I199-V308 HydrophobicContact CG2-CG1 3.93Å; I199-V308 HydrophobicContact CG2-CG2 4.11Å; I199-L311 HydrophobicContact CD1-CB 3.72Å; I199-I312 HydrophobicContact CD1-CD1 4.49Å; I199-I312 HydrophobicContact CD1-CG1 3.6Å
200	F	94.4	Very high	93.6	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.009	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-7.7	-174.5	-55.3	-57.6	0	0	0	113.2	N196 Q202 F204 V264 I265 F268 H279 V281 V308 I312	N196-F200 HydrophobicContact CB-CD2 4.1Å; N196-F200 WeakPolarHBondContact O-CA 3.31Å; N196-F200 PolarHBondContact O-N 3.46Å; F200-Q202 PolarHBondContact O-N 3.47Å; F200-F204 HydrophobicContact CD2-CE2 4.07Å; F200-F204 HydrophobicContact CD2-CZ 4.42Å; F200-F204 HydrophobicContact CE2-CE2 4.33Å; F200-V264 HydrophobicContact CD1-CG1 4.13Å; F200-V264 HydrophobicContact CE1-CG1 3.62Å; F200-V264 HydrophobicContact CE2-CG1 4.05Å; F200-V264 HydrophobicContact CZ-CG1 3.56Å; F200-I265 HydrophobicContact CE1-CG1 4.2Å; F200-F268 HydrophobicContact CB-CD1 3.97Å; F200-F268 HydrophobicContact CB-CD2 3.83Å; F200-F268 HydrophobicContact CB-CE1 4.05Å; F200-F268 HydrophobicContact CB-CE2 3.91Å; F200-F268 HydrophobicContact CB-CG 3.87Å; F200-F268 HydrophobicContact CB-CZ 4.03Å; F200-F268 HydrophobicContact CD1-CB 4.25Å; F200-F268 AromaticContact CD1-CD2 3.58Å; F200-F268 HydrophobicContact CD1-CD2 3.58Å; F200-F268 HydrophobicContact CD1-CE2 4.18Å; F200-F268 HydrophobicContact CD1-CG 4.01Å; F200-F268 HydrophobicContact CD2-CE2 4.42Å; F200-F268 HydrophobicContact CE1-CD2 4.29Å; F200-F268 AromaticContact CG-CD2 3.76Å; F200-F268 HydrophobicContact CG-CD2 3.76Å; F200-F268 AromaticContact CG-CE2 3.93Å; F200-F268 HydrophobicContact CG-CE2 3.93Å; F200-F268 HydrophobicContact CG-CG 4.22Å; F200-H279 VanDerWaalsContact C-CG 3.47Å; F200-H279 PolarHBondContact O-CD2 2.79Å; F200-V281 HydrophobicContact CD1-CG2 4.01Å; F200-V281 HydrophobicContact CE1-CG2 4.05Å; F200-V308 HydrophobicContact CE1-CG1 4.09Å; F200-V308 HydrophobicContact CZ-CG1 3.76Å; F200-I312 HydrophobicContact CE2-CD1 3.7Å; F200-I312 HydrophobicContact CZ-CD1 3.78Å
201	G	91.3	Very high	93.3	Very high	25 Å²	25	35.6 Å²	35.6	26%	0.258	19%	0.192	S	C	.	.	S	Bend	trans	74.3	1.9	-177.2	0	0	0	0	0	114.2	N196 L197	N196-G201 PolarHBondContact O-N 3.39Å; L197-G201 WeakPolarHBondContact O-CA 3.25Å; L197-G201 PolarHBondContact O-N 3.1Å
202	Q	90.8	Very high	92.9	Very high	113 Å²	113	38 Å²	38	53%	0.528	20%	0.203	S	C	.	.	S	Bend	trans	-140.9	157.7	-173.6	-60.4	-171.5	14.5	0	0	111.7	N196 F200 F268	N196-Q202 CarbonylContact C-O 3.2Å; N196-Q202 VanDerWaalsContact C-O 3.31Å; N196-Q202 WeakPolarHBondContact CB-O 3.19Å; F200-Q202 PolarHBondContact O-N 3.47Å; Q202-F268 HydrophobicContact CB-CE1 3.82Å; Q202-F268 HydrophobicContact CB-CZ 4.28Å; Q202-F268 HydrophobicContact CG-CE1 3.88Å
203	R	93.4	Very high	92.8	Very high	81 Å²	81	41.9 Å²	41.9	31%	0.306	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-98.2	154.3	173.5	66.8	178.7	-66.3	-86.8	0.5	110.7	E165 N193	E165-R203 IonicContact OE1-NH2 3.37Å; E165-R203 IonicContact OE2-CZ 2.89Å; E165-R203 IonicContact OE2-NE 2.65Å; E165-R203 PolarHBondContact OE2-NE 3.39Å; E165-R203 IonicContact OE2-NH2 3.83Å; N193-R203 HydrophobicContact CB-CB 4.16Å
204	F	92.7	Very high	92.6	Very high	25 Å²	25	42 Å²	42	11%	0.11	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-96.5	149.8	166.5	-62.9	-87.8	0	0	0	110.1	N193 N196 F200 D208 F211 V264 F268	N193-F204 PolarHBondContact ND2-O 3.47Å; N193-F204 PolarHBondContact OD1-N 3.07Å; N193-F204 PolarHBondContact OD1-O 3.1Å; N196-F204 HydrophobicContact CB-CD2 4.3Å; N196-F204 HydrophobicContact CB-CE2 4.23Å; N196-F204 VanDerWaalsContact ND2-CD2 3.29Å; N196-F204 WeakPolarHBondContact ND2-CD2 3.41Å; F200-F204 HydrophobicContact CD2-CE2 4.07Å; F200-F204 HydrophobicContact CD2-CZ 4.42Å; F200-F204 HydrophobicContact CE2-CE2 4.33Å; F204-D208 HydrophobicContact CB-CB 4.49Å; F204-D208 WeakPolarHBondContact CD1-OD2 3.32Å; F204-F211 HydrophobicContact CB-CB 4.42Å; F204-F211 HydrophobicContact CB-CD1 4.3Å; F204-F211 HydrophobicContact CB-CG 4.18Å; F204-F211 HydrophobicContact CD1-CB 4.28Å; F204-F211 HydrophobicContact CD1-CD2 4.25Å; F204-F211 HydrophobicContact CD1-CG 4.35Å; F204-F211 HydrophobicContact CD2-CD1 4.41Å; F204-F211 AromaticContact CD2-CD2 3.57Å; F204-F211 HydrophobicContact CD2-CD2 3.57Å; F204-F211 AromaticContact CD2-CE2 3.69Å; F204-F211 HydrophobicContact CD2-CE2 3.69Å; F204-F211 AromaticContact CD2-CG 3.98Å; F204-F211 HydrophobicContact CD2-CG 3.98Å; F204-F211 HydrophobicContact CD2-CZ 4.21Å; F204-F211 HydrophobicContact CE1-CD2 4.29Å; F204-F211 AromaticContact CE2-CD2 3.61Å; F204-F211 HydrophobicContact CE2-CD2 3.61Å; F204-F211 AromaticContact CE2-CE2 3.64Å; F204-F211 HydrophobicContact CE2-CE2 3.64Å; F204-F211 HydrophobicContact CE2-CG 4.44Å; F204-F211 HydrophobicContact CE2-CZ 4.5Å; F204-F211 HydrophobicContact CG-CB 4.24Å; F204-F211 HydrophobicContact CG-CD1 4.42Å; F204-F211 AromaticContact CG-CD2 3.89Å; F204-F211 HydrophobicContact CG-CD2 3.89Å; F204-F211 HydrophobicContact CG-CE2 4.43Å; F204-F211 AromaticContact CG-CG 3.91Å; F204-F211 HydrophobicContact CG-CG 3.91Å; F204-F211 AromaticContact CZ-CD2 3.98Å; F204-F211 HydrophobicContact CZ-CD2 3.98Å; F204-F211 HydrophobicContact CZ-CE2 4.36Å; F204-V264 HydrophobicContact CZ-CG1 4.33Å; F204-F268 HydrophobicContact CE1-CE2 4.33Å; F204-F268 HydrophobicContact CE1-CZ 4.44Å; F204-F268 AromaticContact CZ-CE2 3.83Å; F204-F268 HydrophobicContact CZ-CE2 3.83Å; F204-F268 HydrophobicContact CZ-CZ 4.14Å
205	T	92.9	Very high	92.4	Very high	79 Å²	79	42.3 Å²	42.3	49%	0.485	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-73.9	156.3	176.4	59.4	0	0	0	0	110.4	D207 D208	T205-D207 PolarHBondContact O-N 2.83Å; T205-D208 WeakPolarHBondContact O-CB 3.32Å; T205-D208 PolarHBondContact O-N 3.35Å
206	Y	90.7	Very high	92.3	Very high	28 Å²	28	47.4 Å²	47.4	11%	0.11	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-3.1	178.6	-69.8	4.3	0	0	0	113.4	E165 F168 S172 L186 N189 A190 Q212	E165-Y206 WeakPolarHBondContact OE1-CE1 3Å; E165-Y206 VanDerWaalsContact OE1-CZ 3.24Å; E165-Y206 PolarHBondContact OE1-OH 3.19Å; F168-Y206 HydrophobicContact CB-CE2 4.42Å; S172-Y206 VanDerWaalsContact OG-CD2 3.31Å; S172-Y206 WeakPolarHBondContact OG-CD2 3.5Å; S172-Y206 WeakPolarHBondContact OG-CE2 3.37Å; L186-Y206 HydrophobicContact CD2-CD2 4.35Å; N189-Y206 HydrophobicContact CB-CD1 3.53Å; N189-Y206 HydrophobicContact CB-CE1 3.59Å; N189-Y206 HydrophobicContact CB-CG 4.13Å; A190-Y206 WeakPolarHBondContact CB-OH 3.3Å; Y206-Q212 PolarHBondContact O-NE2 3.36Å
207	D	89.2	Confident	92.3	Very high	142 Å²	142	47.9 Å²	47.9	76%	0.759	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.6	2	175.7	-55	-47.2	0	0	0	111.4	T205 S209	T205-D207 PolarHBondContact O-N 2.83Å; D207-S209 VanDerWaalsContact C-N 3.34Å; D207-S209 PolarHBondContact O-N 2.71Å
208	D	91.3	Very high	92.2	Very high	41 Å²	41	48.7 Å²	48.7	22%	0.219	25%	0.252	C	S	.	.			trans	-71.7	89.7	174.6	-169.3	-25.1	0	0	0	110.6	F204 T205 N210 F211 Q212	F204-D208 HydrophobicContact CB-CB 4.49Å; F204-D208 WeakPolarHBondContact CD1-OD2 3.32Å; T205-D208 WeakPolarHBondContact O-CB 3.32Å; T205-D208 PolarHBondContact O-N 3.35Å; D208-N210 PolarHBondContact O-N 3.48Å; D208-N210 PolarHBondContact OD1-N 3.42Å; D208-F211 HydrophobicContact CB-CB 4.22Å; D208-F211 PolarHBondContact O-N 3.12Å; D208-F211 PolarHBondContact OD1-N 2.78Å; D208-Q212 WeakPolarHBondContact O-CG 3.34Å; D208-Q212 PolarHBondContact O-N 2.67Å; D208-Q212 VanDerWaalsContact O-N 3.11Å
209	S	89.9	Confident	92	Very high	77 Å²	77	49 Å²	49	54%	0.538	25%	0.254	S	S	.	.	H	α-helix	trans	-60.4	-30.6	178.7	57	0	0	0	0	113.6	D207 H213	D207-S209 VanDerWaalsContact C-N 3.34Å; D207-S209 PolarHBondContact O-N 2.71Å; S209-H213 VanDerWaalsContact O-CB 3.29Å; S209-H213 WeakPolarHBondContact O-CB 3.26Å; S209-H213 PolarHBondContact O-N 3.49Å
210	N	90.8	Very high	91.9	Very high	109 Å²	109	51.5 Å²	51.5	58%	0.583	27%	0.266	S	S	*	.	H	α-helix	trans	-72.5	-45.6	-178.6	-63.5	-41.6	0	0	0	110.8	D208 Q212 H213 M214 F260	D208-N210 PolarHBondContact O-N 3.48Å; D208-N210 PolarHBondContact OD1-N 3.42Å; N210-Q212 VanDerWaalsContact C-N 3.33Å; N210-Q212 PolarHBondContact O-N 2.99Å; N210-H213 PolarHBondContact O-N 3.4Å; N210-M214 PolarHBondContact O-N 2.94Å; N210-F260 HydrophobicContact CB-CE2 3.86Å
211	F	89.6	Confident	91.9	Very high	5 Å²	5	52.1 Å²	52.1	2%	0.022	27%	0.27	C	S	.	.	H	α-helix	trans	-63.2	-42	176	-177.9	-94.6	0	0	0	111.3	N196 F204 D208 M214 I215 F260	N196-F211 WeakPolarHBondContact ND2-CE2 3.43Å; N196-F211 WeakPolarHBondContact ND2-CZ 3.5Å; F204-F211 HydrophobicContact CB-CB 4.42Å; F204-F211 HydrophobicContact CB-CD1 4.3Å; F204-F211 HydrophobicContact CB-CG 4.18Å; F204-F211 HydrophobicContact CD1-CB 4.28Å; F204-F211 HydrophobicContact CD1-CD2 4.25Å; F204-F211 HydrophobicContact CD1-CG 4.35Å; F204-F211 HydrophobicContact CD2-CD1 4.41Å; F204-F211 AromaticContact CD2-CD2 3.57Å; F204-F211 HydrophobicContact CD2-CD2 3.57Å; F204-F211 AromaticContact CD2-CE2 3.69Å; F204-F211 HydrophobicContact CD2-CE2 3.69Å; F204-F211 AromaticContact CD2-CG 3.98Å; F204-F211 HydrophobicContact CD2-CG 3.98Å; F204-F211 HydrophobicContact CD2-CZ 4.21Å; F204-F211 HydrophobicContact CE1-CD2 4.29Å; F204-F211 AromaticContact CE2-CD2 3.61Å; F204-F211 HydrophobicContact CE2-CD2 3.61Å; F204-F211 AromaticContact CE2-CE2 3.64Å; F204-F211 HydrophobicContact CE2-CE2 3.64Å; F204-F211 HydrophobicContact CE2-CG 4.44Å; F204-F211 HydrophobicContact CE2-CZ 4.5Å; F204-F211 HydrophobicContact CG-CB 4.24Å; F204-F211 HydrophobicContact CG-CD1 4.42Å; F204-F211 AromaticContact CG-CD2 3.89Å; F204-F211 HydrophobicContact CG-CD2 3.89Å; F204-F211 HydrophobicContact CG-CE2 4.43Å; F204-F211 AromaticContact CG-CG 3.91Å; F204-F211 HydrophobicContact CG-CG 3.91Å; F204-F211 AromaticContact CZ-CD2 3.98Å; F204-F211 HydrophobicContact CZ-CD2 3.98Å; F204-F211 HydrophobicContact CZ-CE2 4.36Å; D208-F211 HydrophobicContact CB-CB 4.22Å; D208-F211 PolarHBondContact O-N 3.12Å; D208-F211 PolarHBondContact OD1-N 2.78Å; F211-M214 HydrophobicContact CD2-CE 3.31Å; F211-M214 HydrophobicContact CE2-CE 3.3Å; F211-M214 HydrophobicContact CG-CE 4.03Å; F211-M214 HydrophobicContact CZ-CE 3.99Å; F211-M214 PolarHBondContact O-N 2.89Å; F211-I215 HydrophobicContact CD1-CG1 4.18Å; F211-I215 HydrophobicContact CE1-CD1 4.24Å; F211-I215 HydrophobicContact CE1-CG1 3.6Å; F211-I215 HydrophobicContact CE2-CD1 4.41Å; F211-I215 HydrophobicContact CE2-CG1 4.4Å; F211-I215 HydrophobicContact CZ-CD1 3.81Å; F211-I215 HydrophobicContact CZ-CG1 3.69Å; F211-I215 WeakPolarHBondContact O-CG1 3.25Å; F211-I215 PolarHBondContact O-N 2.62Å; F211-F260 HydrophobicContact CB-CZ 4.47Å; F211-F260 HydrophobicContact CD2-CE1 4.42Å
212	Q	89.3	Confident	91.9	Very high	50 Å²	50	52.1 Å²	52.1	23%	0.234	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-45.3	176.8	-73.9	176.3	12.6	0	0	112.4	N189 Y206 D208 N210 M214 I215 E216	N189-Q212 PolarHBondContact ND2-NE2 3.48Å; Y206-Q212 PolarHBondContact O-NE2 3.36Å; D208-Q212 WeakPolarHBondContact O-CG 3.34Å; D208-Q212 PolarHBondContact O-N 2.67Å; D208-Q212 VanDerWaalsContact O-N 3.11Å; N210-Q212 VanDerWaalsContact C-N 3.33Å; N210-Q212 PolarHBondContact O-N 2.99Å; Q212-M214 VanDerWaalsContact C-N 3.34Å; Q212-M214 PolarHBondContact O-N 3.48Å; Q212-I215 PolarHBondContact O-N 2.7Å; Q212-E216 WeakPolarHBondContact O-CB 3.03Å; Q212-E216 PolarHBondContact O-N 2.88Å
213	H	93.3	Very high	91.9	Very high	83 Å²	83	48.1 Å²	48.1	38%	0.384	25%	0.246	S	C	.	.	H	α-helix	trans	-60.1	-46.3	177.1	-174.7	54.8	0	0	0	111.2	S209 N210 I215 E216 I217 E256	S209-H213 VanDerWaalsContact O-CB 3.29Å; S209-H213 WeakPolarHBondContact O-CB 3.26Å; S209-H213 PolarHBondContact O-N 3.49Å; N210-H213 PolarHBondContact O-N 3.4Å; H213-I215 PolarHBondContact O-N 3.39Å; H213-E216 WeakPolarHBondContact O-CB 3.31Å; H213-E216 PolarHBondContact O-N 3.45Å; H213-E216 VanDerWaalsContact O-N 3.11Å; H213-I217 WeakPolarHBondContact O-CG1 3.1Å; H213-I217 PolarHBondContact O-N 2.64Å; H213-E256 IonicContact CD2-OE1 3.81Å; H213-E256 PolarHBondContact CD2-OE1 2.83Å; H213-E256 VanDerWaalsContact CD2-OE1 3.3Å; H213-E256 IonicContact NE2-OE1 3.74Å; H213-E256 PolarHBondContact NE2-OE1 3.46Å
214	M	93.9	Very high	91.8	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.02	24%	0.235	C	C	.	.	H	α-helix	trans	-58	-45.9	176.8	178.2	-129.1	18.4	0	0	111.7	N210 F211 Q212 E216 I217 F218 V257 F260 L261	N210-M214 PolarHBondContact O-N 2.94Å; F211-M214 HydrophobicContact CD2-CE 3.31Å; F211-M214 HydrophobicContact CE2-CE 3.3Å; F211-M214 HydrophobicContact CG-CE 4.03Å; F211-M214 HydrophobicContact CZ-CE 3.99Å; F211-M214 PolarHBondContact O-N 2.89Å; Q212-M214 VanDerWaalsContact C-N 3.34Å; Q212-M214 PolarHBondContact O-N 3.48Å; M214-E216 VanDerWaalsContact C-N 3.32Å; M214-E216 PolarHBondContact O-N 3.41Å; M214-I217 VanDerWaalsContact O-CG1 3.3Å; M214-I217 WeakPolarHBondContact O-CG1 3.43Å; M214-F218 VanDerWaalsContact O-CB 3.22Å; M214-F218 WeakPolarHBondContact O-CB 3.38Å; M214-F218 PolarHBondContact O-N 3.47Å; M214-V257 HydrophobicContact CG-CG2 4.29Å; M214-F260 HydrophobicContact CB-CD1 3.85Å; M214-F260 HydrophobicContact CB-CD2 4.47Å; M214-F260 HydrophobicContact CB-CE1 4.01Å; M214-F260 HydrophobicContact CB-CG 4.07Å; M214-F260 HydrophobicContact CB-CZ 4.41Å; M214-F260 HydrophobicContact CE-CD1 4.06Å; M214-F260 HydrophobicContact CE-CE1 3.59Å; M214-F260 HydrophobicContact CE-CZ 4.42Å; M214-F260 HydrophobicContact CG-CB 4.28Å; M214-F260 HydrophobicContact CG-CD1 3.47Å; M214-F260 VanDerWaalsContact CG-CD1 3.47Å; M214-F260 HydrophobicContact CG-CE1 3.95Å; M214-F260 HydrophobicContact CG-CG 3.94Å; M214-F260 HydrophobicContact SD-CD1 3.31Å; M214-F260 WeakPolarHBondContact SD-CD1 3.47Å; M214-F260 HydrophobicContact SD-CE1 3.5Å; M214-F260 VanDerWaalsContact SD-CE1 3.5Å; M214-F260 HydrophobicContact SD-CG 4.35Å; M214-L261 HydrophobicContact SD-CD2 3.91Å; M214-L261 HydrophobicContact SD-CG 4.39Å
215	I	91.1	Very high	91.6	Very high	7 Å²	7	44.9 Å²	44.9	4%	0.036	24%	0.239	C	C	.	.	H	α-helix	trans	-64.1	-37.7	176.5	-65.9	-59.1	0	0	0	111.7	T188 F211 Q212 H213 F218 S219 I312 T316	T188-I215 HydrophobicContact CG2-CG2 3.53Å; F211-I215 HydrophobicContact CD1-CG1 4.18Å; F211-I215 HydrophobicContact CE1-CD1 4.24Å; F211-I215 HydrophobicContact CE1-CG1 3.6Å; F211-I215 HydrophobicContact CE2-CD1 4.41Å; F211-I215 HydrophobicContact CE2-CG1 4.4Å; F211-I215 HydrophobicContact CZ-CD1 3.81Å; F211-I215 HydrophobicContact CZ-CG1 3.69Å; F211-I215 WeakPolarHBondContact O-CG1 3.25Å; F211-I215 PolarHBondContact O-N 2.62Å; Q212-I215 PolarHBondContact O-N 2.7Å; H213-I215 PolarHBondContact O-N 3.39Å; I215-F218 PolarHBondContact O-N 2.94Å; I215-S219 VanDerWaalsContact O-CB 3.26Å; I215-S219 WeakPolarHBondContact O-CB 3.35Å; I215-S219 PolarHBondContact O-N 2.98Å; I215-I312 HydrophobicContact CD1-CG2 3.56Å; I215-T316 HydrophobicContact CD1-CG2 4.43Å; I215-T316 HydrophobicContact CG2-CG2 3.86Å
216	E	93.3	Very high	91.3	Very high	106 Å²	106	42.7 Å²	42.7	50%	0.495	23%	0.226	S	C	.	.	H	α-helix	trans	-63.6	-50.6	179.5	-177.2	172.1	-160	0	0	112.3	Q212 H213 M214 F218 S219 E220	Q212-E216 WeakPolarHBondContact O-CB 3.03Å; Q212-E216 PolarHBondContact O-N 2.88Å; H213-E216 WeakPolarHBondContact O-CB 3.31Å; H213-E216 PolarHBondContact O-N 3.45Å; H213-E216 VanDerWaalsContact O-N 3.11Å; M214-E216 VanDerWaalsContact C-N 3.32Å; M214-E216 PolarHBondContact O-N 3.41Å; E216-F218 VanDerWaalsContact C-N 3.26Å; E216-F218 PolarHBondContact O-N 2.93Å; E216-S219 PolarHBondContact O-N 2.65Å; E216-E220 PolarHBondContact O-N 3Å
217	I	94.7	Very high	91.3	Very high	10 Å²	10	42.4 Å²	42.4	5%	0.051	23%	0.228	C	C	.	.	H	α-helix	trans	-67.4	-29.9	178.7	64.7	177.2	0	0	0	111.8	H213 M214 N221 N253 E256 V257	H213-I217 WeakPolarHBondContact O-CG1 3.1Å; H213-I217 PolarHBondContact O-N 2.64Å; M214-I217 VanDerWaalsContact O-CG1 3.3Å; M214-I217 WeakPolarHBondContact O-CG1 3.43Å; I217-N221 PolarHBondContact O-N 3.3Å; I217-N221 VanDerWaalsContact O-N 3.08Å; I217-N253 HydrophobicContact CB-CB 4.2Å; I217-N253 PolarHBondContact O-ND2 3.31Å; I217-E256 HydrophobicContact CD1-CB 3.93Å; I217-E256 HydrophobicContact CD1-CG 3.75Å; I217-V257 HydrophobicContact CD1-CG2 3.72Å; I217-V257 HydrophobicContact CG1-CG2 3.66Å
218	F	92.1	Very high	91.3	Very high	35 Å²	35	37.6 Å²	37.6	15%	0.154	21%	0.211	C	C	.	.	H	α-helix	trans	-72.4	-42.4	175.4	-152.7	165.4	0	0	0	111.4	M214 I215 E216 E220 N221 V222 V257 G309 I313	M214-F218 VanDerWaalsContact O-CB 3.22Å; M214-F218 WeakPolarHBondContact O-CB 3.38Å; M214-F218 PolarHBondContact O-N 3.47Å; I215-F218 PolarHBondContact O-N 2.94Å; E216-F218 VanDerWaalsContact C-N 3.26Å; E216-F218 PolarHBondContact O-N 2.93Å; F218-E220 VanDerWaalsContact C-N 3.31Å; F218-E220 PolarHBondContact O-N 3.34Å; F218-N221 WeakPolarHBondContact O-CB 3.36Å; F218-N221 PolarHBondContact O-N 2.86Å; F218-N221 VanDerWaalsContact O-N 3.13Å; F218-V222 PolarHBondContact O-N 3.33Å; F218-V257 HydrophobicContact CB-CG2 4.02Å; F218-V257 HydrophobicContact CD1-CG1 3.63Å; F218-V257 HydrophobicContact CD1-CG2 4.33Å; F218-V257 HydrophobicContact CE1-CG1 3.66Å; F218-V257 HydrophobicContact CG-CG1 4.17Å; F218-V257 HydrophobicContact CG-CG2 4.18Å; F218-V257 HydrophobicContact CZ-CG1 4.21Å; F218-G309 VanDerWaalsContact CE1-O 3.3Å; F218-G309 WeakPolarHBondContact CE1-O 3.45Å; F218-G309 WeakPolarHBondContact CZ-O 3.38Å; F218-I313 HydrophobicContact CB-CD1 4.03Å; F218-I313 HydrophobicContact CD1-CB 4.06Å; F218-I313 HydrophobicContact CD1-CD1 4.4Å; F218-I313 HydrophobicContact CD1-CG1 4.46Å; F218-I313 HydrophobicContact CD2-CB 4.1Å; F218-I313 HydrophobicContact CD2-CD1 4.11Å; F218-I313 HydrophobicContact CD2-CG1 3.86Å; F218-I313 HydrophobicContact CD2-CG2 4.48Å; F218-I313 HydrophobicContact CE1-CB 3.92Å; F218-I313 HydrophobicContact CE1-CG2 4.27Å; F218-I313 HydrophobicContact CE2-CB 3.96Å; F218-I313 HydrophobicContact CE2-CG1 4.1Å; F218-I313 HydrophobicContact CE2-CG2 3.89Å; F218-I313 HydrophobicContact CG-CB 4.16Å; F218-I313 HydrophobicContact CG-CD1 3.9Å; F218-I313 HydrophobicContact CG-CG1 4.06Å; F218-I313 HydrophobicContact CZ-CB 3.88Å; F218-I313 HydrophobicContact CZ-CG2 3.77Å
219	S	91.9	Very high	91.2	Very high	6 Å²	6	39.6 Å²	39.6	4%	0.042	22%	0.216	C	C	.	.	H	α-helix	trans	-60.1	-41.3	172.1	-175.2	0	0	0	0	111.2	I215 E216 N221 V222 E223 E317	I215-S219 VanDerWaalsContact O-CB 3.26Å; I215-S219 WeakPolarHBondContact O-CB 3.35Å; I215-S219 PolarHBondContact O-N 2.98Å; E216-S219 PolarHBondContact O-N 2.65Å; S219-N221 VanDerWaalsContact C-N 3.32Å; S219-N221 PolarHBondContact O-N 3.11Å; S219-V222 WeakPolarHBondContact O-CB 3.47Å; S219-V222 PolarHBondContact O-N 3.18Å; S219-V222 VanDerWaalsContact O-N 3.15Å; S219-E223 PolarHBondContact O-N 2.88Å; S219-E317 VanDerWaalsContact CB-OE2 3.26Å; S219-E317 WeakPolarHBondContact CB-OE2 3.1Å; S219-E317 PolarHBondContact OG-OE2 2.59Å
220	E	94	Very high	91.3	Very high	53 Å²	53	36.1 Å²	36.1	25%	0.248	19%	0.192	C	C	.	.	H	α-helix	trans	-59	-42.8	173	-177.9	171.1	-142.4	0	0	111.6	E216 F218 V222 E223 L224 K249 N253	E216-E220 PolarHBondContact O-N 3Å; F218-E220 VanDerWaalsContact C-N 3.31Å; F218-E220 PolarHBondContact O-N 3.34Å; E220-V222 VanDerWaalsContact C-N 3.28Å; E220-V222 PolarHBondContact O-N 3.37Å; E220-E223 WeakPolarHBondContact O-CB 3.32Å; E220-E223 PolarHBondContact O-N 2.9Å; E220-E223 VanDerWaalsContact O-N 3.07Å; E220-L224 HydrophobicContact CG-CD1 3.88Å; E220-L224 HydrophobicContact CG-CG 3.97Å; E220-L224 VanDerWaalsContact O-CG 3.28Å; E220-L224 WeakPolarHBondContact O-CG 3.44Å; E220-L224 PolarHBondContact O-N 3.15Å; E220-K249 VanDerWaalsContact CD-CE 3.49Å; E220-K249 WeakPolarHBondContact OE1-CE 3.32Å; E220-K249 IonicContact OE1-NZ 2.71Å; E220-K249 PolarHBondContact OE1-NZ 2.95Å; E220-K249 WeakPolarHBondContact OE2-CE 3.06Å; E220-K249 IonicContact OE2-NZ 3.3Å; E220-K249 PolarHBondContact OE2-NZ 3.45Å; E220-N253 PolarHBondContact OE2-ND2 3.49Å
221	N	93.6	Very high	91.4	Very high	15 Å²	15	32 Å²	32	8%	0.08	17%	0.169	C	C	.	.	H	α-helix	trans	-60.4	-36	176.3	-79.1	-3.3	0	0	0	113.3	I217 F218 S219 E223 L224 A225 L250 N253 A254	I217-N221 PolarHBondContact O-N 3.3Å; I217-N221 VanDerWaalsContact O-N 3.08Å; F218-N221 WeakPolarHBondContact O-CB 3.36Å; F218-N221 PolarHBondContact O-N 2.86Å; F218-N221 VanDerWaalsContact O-N 3.13Å; S219-N221 VanDerWaalsContact C-N 3.32Å; S219-N221 PolarHBondContact O-N 3.11Å; N221-E223 VanDerWaalsContact C-N 3.3Å; N221-E223 PolarHBondContact O-N 2.91Å; N221-L224 PolarHBondContact O-N 2.9Å; N221-A225 WeakPolarHBondContact O-CB 3.4Å; N221-A225 PolarHBondContact O-N 3.28Å; N221-L250 HydrophobicContact CB-CG 4.47Å; N221-L250 PolarHBondContact ND2-O 2.83Å; N221-L250 WeakPolarHBondContact OD1-CA 3.06Å; N221-L250 PolarHBondContact OD1-O 3.32Å; N221-N253 WeakPolarHBondContact ND2-CB 3.24Å; N221-N253 WeakPolarHBondContact OD1-CB 3.32Å; N221-N253 PolarHBondContact OD1-ND2 3.18Å; N221-A254 PolarHBondContact ND2-N 3.35Å
222	V	91.1	Very high	91.6	Very high	26 Å²	26	33.4 Å²	33.4	16%	0.158	18%	0.177	C	C	.	.	H	α-helix	trans	-63.5	-36.9	175.1	177	0	0	0	0	111.4	F218 S219 E220 I313 E317 M493 T494	F218-V222 PolarHBondContact O-N 3.33Å; S219-V222 WeakPolarHBondContact O-CB 3.47Å; S219-V222 PolarHBondContact O-N 3.18Å; S219-V222 VanDerWaalsContact O-N 3.15Å; E220-V222 VanDerWaalsContact C-N 3.28Å; E220-V222 PolarHBondContact O-N 3.37Å; V222-I313 HydrophobicContact CG2-CD1 4.04Å; V222-I313 HydrophobicContact CG2-CG1 3.54Å; V222-E317 HydrophobicContact CG1-CG 4.39Å; V222-M493 HydrophobicContact CG1-CB 3.75Å; V222-M493 PolarHBondContact O-N 3.36Å; V222-T494 HydrophobicContact CG1-CG2 4.34Å
223	E	91.1	Very high	91.8	Very high	29 Å²	29	31.4 Å²	31.4	14%	0.136	17%	0.168	C	C	.	.	H	α-helix	trans	-71.2	-44.5	173.3	-61.2	178.2	-176.5	0	0	111.8	S219 E220 N221 A225 V226 K490 Q496	S219-E223 PolarHBondContact O-N 2.88Å; E220-E223 WeakPolarHBondContact O-CB 3.32Å; E220-E223 PolarHBondContact O-N 2.9Å; E220-E223 VanDerWaalsContact O-N 3.07Å; N221-E223 VanDerWaalsContact C-N 3.3Å; N221-E223 PolarHBondContact O-N 2.91Å; E223-A225 VanDerWaalsContact C-N 3.3Å; E223-A225 PolarHBondContact O-N 3.09Å; E223-V226 WeakPolarHBondContact O-CG2 3.17Å; E223-K490 WeakPolarHBondContact OE1-CE 3.4Å; E223-K490 IonicContact OE1-NZ 2.82Å; E223-K490 PolarHBondContact OE1-NZ 2.94Å; E223-K490 WeakPolarHBondContact OE2-CE 3.33Å; E223-K490 IonicContact OE2-NZ 3.53Å; E223-K490 PolarHBondContact OE2-NZ 3.41Å; E223-Q496 PolarHBondContact OE1-NE2 3.08Å
224	L	92.2	Very high	91.9	Very high	13 Å²	13	28 Å²	28	7%	0.068	15%	0.153	C	C	.	.	H	α-helix	trans	-66.8	-29.9	-177.2	-67.8	-175.9	0	0	0	112.8	E220 N221 V226 S227 A230 K246 K249 L250	E220-L224 HydrophobicContact CG-CD1 3.88Å; E220-L224 HydrophobicContact CG-CG 3.97Å; E220-L224 VanDerWaalsContact O-CG 3.28Å; E220-L224 WeakPolarHBondContact O-CG 3.44Å; E220-L224 PolarHBondContact O-N 3.15Å; N221-L224 PolarHBondContact O-N 2.9Å; L224-V226 PolarHBondContact O-N 3.02Å; L224-V226 VanDerWaalsContact O-N 3.15Å; L224-S227 VanDerWaalsContact O-CB 3.25Å; L224-S227 WeakPolarHBondContact O-CB 3.38Å; L224-S227 PolarHBondContact O-N 3.15Å; L224-S227 PolarHBondContact O-OG 3.29Å; L224-A230 VanDerWaalsContact O-CB 3.28Å; L224-A230 WeakPolarHBondContact O-CB 3.22Å; L224-K246 HydrophobicContact CD2-CB 3.97Å; L224-K246 HydrophobicContact CD2-CD 3.78Å; L224-K246 HydrophobicContact CD2-CG 4.21Å; L224-K249 HydrophobicContact CD1-CB 4.27Å; L224-K249 HydrophobicContact CD1-CD 4.42Å; L224-K249 HydrophobicContact CD1-CG 4.3Å; L224-L250 HydrophobicContact CB-CB 4.33Å; L224-L250 HydrophobicContact CB-CD1 3.94Å; L224-L250 HydrophobicContact CB-CG 4.43Å; L224-L250 HydrophobicContact CD1-CB 4.13Å
225	A	88.7	Confident	91.8	Very high	24 Å²	24	28.6 Å²	28.6	20%	0.198	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.9	-177.5	0	0	0	0	0	114.7	L118 N221 E223 A230 M493	L118-A225 HydrophobicContact CD2-CB 4.32Å; N221-A225 WeakPolarHBondContact O-CB 3.4Å; N221-A225 PolarHBondContact O-N 3.28Å; E223-A225 VanDerWaalsContact C-N 3.3Å; E223-A225 PolarHBondContact O-N 3.09Å; A225-A230 VanDerWaalsContact O-CB 3.29Å; A225-A230 WeakPolarHBondContact O-CB 3.32Å; A225-M493 HydrophobicContact CB-CG 4.34Å
226	V	86.5	Confident	91.9	Very high	34 Å²	34	29.5 Å²	29.5	21%	0.206	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	8	174.9	-69.5	0	0	0	0	113.5	E223 L224 M493	E223-V226 WeakPolarHBondContact O-CG2 3.17Å; L224-V226 PolarHBondContact O-N 3.02Å; L224-V226 VanDerWaalsContact O-N 3.15Å; V226-M493 HydrophobicContact CG1-CB 4.45Å; V226-M493 HydrophobicContact CG1-CG 3.52Å; V226-M493 HydrophobicContact CG1-SD 3.18Å; V226-M493 WeakPolarHBondContact CG1-SD 3.44Å
227	S	89.1	Confident	91.9	Very high	21 Å²	21	27.2 Å²	27.2	15%	0.147	16%	0.156	C	C	.	.	S	Bend	trans	-65.6	156.3	175.4	71.1	0	0	0	0	111.1	L224 W229 A230 L231	L224-S227 VanDerWaalsContact O-CB 3.25Å; L224-S227 WeakPolarHBondContact O-CB 3.38Å; L224-S227 PolarHBondContact O-N 3.15Å; L224-S227 PolarHBondContact O-OG 3.29Å; S227-W229 PolarHBondContact O-N 3.37Å; S227-W229 VanDerWaalsContact O-N 3.15Å; S227-A230 WeakPolarHBondContact O-CB 3.45Å; S227-A230 PolarHBondContact O-N 3.28Å; S227-A230 PolarHBondContact OG-N 3.28Å; S227-L231 PolarHBondContact O-N 3.25Å
228	G	89.3	Confident	91.7	Very high	41 Å²	41	34.2 Å²	34.2	42%	0.423	18%	0.182	S	C	.	.	H	α-helix	trans	-53.7	-34.7	173.4	0	0	0	0	0	112.8	L231 L232	G228-L231 PolarHBondContact O-N 3.34Å; G228-L232 WeakPolarHBondContact O-CB 3.32Å; G228-L232 VanDerWaalsContact O-CG 3.23Å; G228-L232 WeakPolarHBondContact O-CG 3.48Å; G228-L232 PolarHBondContact O-N 3.15Å
229	W	90.8	Very high	91.6	Very high	84 Å²	84	33.1 Å²	33.1	32%	0.318	18%	0.177	S	C	.	.	H	α-helix	trans	-63.2	-39.5	173.8	-78.3	106.1	0	0	0	113.2	S227 Y233 I239 F244 K246 H247	S227-W229 PolarHBondContact O-N 3.37Å; S227-W229 VanDerWaalsContact O-N 3.15Å; W229-Y233 WeakPolarHBondContact O-CB 3.25Å; W229-Y233 PolarHBondContact O-N 2.85Å; W229-I239 HydrophobicContact CZ3-CG2 4.4Å; W229-F244 HydrophobicContact CH2-CD2 4.12Å; W229-F244 HydrophobicContact CH2-CE2 4.18Å; W229-K246 HydrophobicContact CB-CB 4.01Å; W229-K246 HydrophobicContact CG-CB 4.05Å; W229-K246 HydrophobicContact CG-CG 4.46Å; W229-H247 AromaticContact CE3-ND1 3.63Å
230	A	92	Very high	91.6	Very high	3 Å²	3	35.8 Å²	35.8	3%	0.025	19%	0.189	C	C	.	.	H	α-helix	trans	-70.5	-40	177	0	0	0	0	0	111.7	L118 L224 A225 S227 Y233 N234	L118-A230 HydrophobicContact CD2-CB 4.26Å; L224-A230 VanDerWaalsContact O-CB 3.28Å; L224-A230 WeakPolarHBondContact O-CB 3.22Å; A225-A230 VanDerWaalsContact O-CB 3.29Å; A225-A230 WeakPolarHBondContact O-CB 3.32Å; S227-A230 WeakPolarHBondContact O-CB 3.45Å; S227-A230 PolarHBondContact O-N 3.28Å; S227-A230 PolarHBondContact OG-N 3.28Å; A230-Y233 PolarHBondContact O-N 3.17Å; A230-N234 WeakPolarHBondContact O-CB 3.32Å; A230-N234 VanDerWaalsContact O-CG 3.32Å; A230-N234 PolarHBondContact O-N 3.05Å; A230-N234 PolarHBondContact O-ND2 3.13Å
231	L	92.4	Very high	91.4	Very high	22 Å²	22	42.6 Å²	42.6	12%	0.115	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-43	173.3	-66.4	177.9	0	0	0	111.6	I59 L62 S227 G228 N234 A235	I59-L231 HydrophobicContact CD1-CB 4.38Å; I59-L231 HydrophobicContact CG1-CB 4.35Å; I59-L231 HydrophobicContact CG2-CB 3.93Å; I59-L231 HydrophobicContact CG2-CD1 4.09Å; L62-L231 HydrophobicContact CD1-CD1 4.44Å; S227-L231 PolarHBondContact O-N 3.25Å; G228-L231 PolarHBondContact O-N 3.34Å; L231-N234 PolarHBondContact O-N 2.92Å; L231-A235 PolarHBondContact O-N 3.3Å
232	L	92.8	Very high	91.3	Very high	36 Å²	36	44.5 Å²	44.5	19%	0.188	22%	0.224	C	C	.	.	H	α-helix	trans	-64.2	-42.6	174.9	-74	171.1	0	0	0	112.1	I59 G228 N234 A235 F236 I239	I59-L232 HydrophobicContact CD1-CD2 4.2Å; G228-L232 WeakPolarHBondContact O-CB 3.32Å; G228-L232 VanDerWaalsContact O-CG 3.23Å; G228-L232 WeakPolarHBondContact O-CG 3.48Å; G228-L232 PolarHBondContact O-N 3.15Å; L232-N234 VanDerWaalsContact C-N 3.32Å; L232-N234 PolarHBondContact O-N 3.5Å; L232-A235 PolarHBondContact O-N 3.33Å; L232-F236 HydrophobicContact CD2-CD2 4.12Å; L232-F236 HydrophobicContact CD2-CE2 4.08Å; L232-F236 WeakPolarHBondContact O-CA 3.43Å; L232-F236 WeakPolarHBondContact O-CB 3.49Å; L232-F236 PolarHBondContact O-N 3.43Å; L232-I239 HydrophobicContact CB-CD1 4.05Å
233	Y	94.8	Very high	91.2	Very high	7 Å²	7	48.7 Å²	48.7	3%	0.027	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-42.7	174.8	172.8	-105.1	0	0	0	111.8	P117 L118 K121 W229 A230 A235 F236 P237 E240 F251	P117-Y233 HydrophobicContact CB-CD1 4.44Å; P117-Y233 HydrophobicContact CB-CE1 3.85Å; L118-Y233 HydrophobicContact CB-CD1 4.09Å; L118-Y233 HydrophobicContact CB-CE1 4.12Å; L118-Y233 HydrophobicContact CD1-CD1 4.5Å; L118-Y233 HydrophobicContact CD1-CE1 4.49Å; K121-Y233 WeakPolarHBondContact CD-OH 3.31Å; W229-Y233 WeakPolarHBondContact O-CB 3.25Å; W229-Y233 PolarHBondContact O-N 2.85Å; A230-Y233 PolarHBondContact O-N 3.17Å; Y233-A235 VanDerWaalsContact C-N 3.34Å; Y233-A235 PolarHBondContact O-N 2.64Å; Y233-F236 CarbonylContact O-C 2.98Å; Y233-F236 PolarHBondContact O-N 3.32Å; Y233-P237 WeakPolarHBondContact O-CA 3.36Å; Y233-E240 HydrophobicContact CE2-CB 3.97Å; Y233-E240 HydrophobicContact CE2-CG 4.4Å; Y233-E240 PolarHBondContact OH-OE2 3.39Å; Y233-F251 HydrophobicContact CD1-CZ 4.13Å; Y233-F251 HydrophobicContact CD2-CZ 4.23Å; Y233-F251 HydrophobicContact CE1-CE1 4.26Å; Y233-F251 AromaticContact CE1-CZ 3.7Å; Y233-F251 HydrophobicContact CE1-CZ 3.7Å; Y233-F251 HydrophobicContact CE2-CE2 4.24Å; Y233-F251 AromaticContact CE2-CZ 3.82Å; Y233-F251 HydrophobicContact CE2-CZ 3.82Å; Y233-F251 HydrophobicContact CG-CZ 4.37Å; Y233-F251 AromaticContact CZ-CZ 3.54Å
234	N	94.6	Very high	91.1	Very high	13 Å²	13	53.1 Å²	53.1	7%	0.07	27%	0.271	C	S	.	.	H	α-helix	trans	-64.2	-39	177.1	-74.7	-40.4	0	0	0	112.4	I88 P117 L118 A230 L231 L232	I88-N234 HydrophobicContact CD1-CB 4.01Å; P117-N234 WeakPolarHBondContact CG-O 3.39Å; L118-N234 WeakPolarHBondContact CB-OD1 3.39Å; L118-N234 PolarHBondContact N-OD1 3.24Å; A230-N234 WeakPolarHBondContact O-CB 3.32Å; A230-N234 VanDerWaalsContact O-CG 3.32Å; A230-N234 PolarHBondContact O-N 3.05Å; A230-N234 PolarHBondContact O-ND2 3.13Å; L231-N234 PolarHBondContact O-N 2.92Å; L232-N234 VanDerWaalsContact C-N 3.32Å; L232-N234 PolarHBondContact O-N 3.5Å
235	A	92.8	Very high	91	Very high	16 Å²	16	53.8 Å²	53.8	13%	0.132	28%	0.281	C	S	.	.	H	α-helix	trans	-71.5	-38.9	175.1	0	0	0	0	0	112.6	I59 G86 L231 L232 Y233	I59-A235 HydrophobicContact CD1-CB 4.25Å; G86-A235 WeakPolarHBondContact O-CB 3.4Å; L231-A235 PolarHBondContact O-N 3.3Å; L232-A235 PolarHBondContact O-N 3.33Å; Y233-A235 VanDerWaalsContact C-N 3.34Å; Y233-A235 PolarHBondContact O-N 2.64Å
236	F	92.7	Very high	91.2	Very high	26 Å²	26	58 Å²	58	11%	0.114	29%	0.294	C	S	.	.			trans	-132.8	78.5	-170.1	-52.9	-61.2	0	0	0	110.9	I55 L232 Y233 W238 I239	I55-F236 HydrophobicContact CG2-CE1 4.22Å; I55-F236 HydrophobicContact CG2-CZ 3.71Å; L232-F236 HydrophobicContact CD2-CD2 4.12Å; L232-F236 HydrophobicContact CD2-CE2 4.08Å; L232-F236 WeakPolarHBondContact O-CA 3.43Å; L232-F236 WeakPolarHBondContact O-CB 3.49Å; L232-F236 PolarHBondContact O-N 3.43Å; Y233-F236 CarbonylContact O-C 2.98Å; Y233-F236 PolarHBondContact O-N 3.32Å; F236-W238 HydrophobicContact CB-CZ2 4.18Å; F236-W238 PolarHBondContact O-N 3.06Å; F236-I239 HydrophobicContact CB-CD1 3.82Å; F236-I239 HydrophobicContact CB-CG1 4.12Å; F236-I239 HydrophobicContact CD2-CD1 4.37Å; F236-I239 WeakPolarHBondContact O-CB 3.4Å; F236-I239 WeakPolarHBondContact O-CG1 3.37Å; F236-I239 PolarHBondContact O-N 3.08Å
237	P	92.6	Very high	91.4	Very high	57 Å²	57	56.6 Å²	56.6	37%	0.37	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-59.8	-24.8	-174.3	-28	36.8	0	0	0	114.5	P117 Y233 I239 E240	P117-P237 HydrophobicContact CB-CB 4.38Å; P117-P237 HydrophobicContact CB-CG 3.99Å; P117-P237 HydrophobicContact CG-CB 4.49Å; P117-P237 HydrophobicContact CG-CG 3.59Å; Y233-P237 WeakPolarHBondContact O-CA 3.36Å; P237-I239 PolarHBondContact O-N 3.28Å; P237-I239 VanDerWaalsContact O-N 3.1Å; P237-E240 WeakPolarHBondContact O-CB 3.3Å; P237-E240 PolarHBondContact O-N 2.99Å
238	W	89.9	Confident	91.6	Very high	158 Å²	158	58.3 Å²	58.3	60%	0.598	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-62.3	-16.1	176.9	60.3	-99.4	0	0	0	113.4	F236 E240 Y241	F236-W238 HydrophobicContact CB-CZ2 4.18Å; F236-W238 PolarHBondContact O-N 3.06Å; W238-E240 PolarHBondContact O-N 3.39Å; W238-E240 VanDerWaalsContact O-N 3.11Å; W238-Y241 VanDerWaalsContact O-CD2 3.29Å; W238-Y241 WeakPolarHBondContact O-CD2 3.48Å; W238-Y241 PolarHBondContact O-N 2.9Å
239	I	91.7	Very high	91.9	Very high	12 Å²	12	61.2 Å²	61.2	6%	0.062	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-59.1	-19.1	170.7	-71.6	176.2	0	0	0	111.5	W229 L232 F236 P237 Y241 L242 H247	W229-I239 HydrophobicContact CZ3-CG2 4.4Å; L232-I239 HydrophobicContact CB-CD1 4.05Å; F236-I239 HydrophobicContact CB-CD1 3.82Å; F236-I239 HydrophobicContact CB-CG1 4.12Å; F236-I239 HydrophobicContact CD2-CD1 4.37Å; F236-I239 WeakPolarHBondContact O-CB 3.4Å; F236-I239 WeakPolarHBondContact O-CG1 3.37Å; F236-I239 PolarHBondContact O-N 3.08Å; P237-I239 PolarHBondContact O-N 3.28Å; P237-I239 VanDerWaalsContact O-N 3.1Å; I239-Y241 PolarHBondContact O-N 3.4Å; I239-L242 HydrophobicContact CG1-CD1 4.43Å; I239-L242 HydrophobicContact CG2-CD1 4.19Å; I239-L242 WeakPolarHBondContact O-CB 3.18Å; I239-L242 PolarHBondContact O-N 3.46Å; I239-H247 PolarHBondContact O-NE2 3.07Å
240	E	91.2	Very high	92	Very high	61 Å²	61	57.4 Å²	57.4	29%	0.285	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-49	-32.6	172.5	-164.9	160.6	151.4	0	0	114.6	K121 Y233 P237 W238 L242 Q248 F251	K121-E240 IonicContact NZ-OE1 2.86Å; K121-E240 PolarHBondContact NZ-OE1 2.96Å; K121-E240 IonicContact NZ-OE2 2.64Å; Y233-E240 HydrophobicContact CE2-CB 3.97Å; Y233-E240 HydrophobicContact CE2-CG 4.4Å; Y233-E240 PolarHBondContact OH-OE2 3.39Å; P237-E240 WeakPolarHBondContact O-CB 3.3Å; P237-E240 PolarHBondContact O-N 2.99Å; W238-E240 PolarHBondContact O-N 3.39Å; W238-E240 VanDerWaalsContact O-N 3.11Å; E240-L242 VanDerWaalsContact C-N 3.28Å; E240-L242 PolarHBondContact O-N 3.22Å; E240-Q248 PolarHBondContact O-NE2 2.63Å; E240-F251 HydrophobicContact CG-CE2 4.36Å
241	Y	90.4	Very high	92.2	Very high	197 Å²	197	58.3 Å²	58.3	77%	0.773	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-81.3	-8.2	-178	-58.4	-69.1	0	0	0	113.1	W238 I239	W238-Y241 VanDerWaalsContact O-CD2 3.29Å; W238-Y241 WeakPolarHBondContact O-CD2 3.48Å; W238-Y241 PolarHBondContact O-N 2.9Å; I239-Y241 PolarHBondContact O-N 3.4Å
242	L	91	Very high	92.3	Very high	55 Å²	55	63.2 Å²	63.2	29%	0.288	30%	0.304	S	S	.	.			trans	-77.8	124.5	175.2	-61.5	-177.9	0	0	0	109.4	I239 E240 F244 Q248	I239-L242 HydrophobicContact CG1-CD1 4.43Å; I239-L242 HydrophobicContact CG2-CD1 4.19Å; I239-L242 WeakPolarHBondContact O-CB 3.18Å; I239-L242 PolarHBondContact O-N 3.46Å; E240-L242 VanDerWaalsContact C-N 3.28Å; E240-L242 PolarHBondContact O-N 3.22Å; L242-F244 HydrophobicContact CB-CE1 4.42Å; L242-F244 HydrophobicContact CB-CZ 4.38Å; L242-F244 HydrophobicContact CD1-CE2 4.3Å; L242-F244 HydrophobicContact CD1-CZ 4.19Å; L242-F244 HydrophobicContact CD2-CE1 4.46Å; L242-F244 HydrophobicContact CD2-CZ 4.3Å; L242-F244 PolarHBondContact O-N 3.12Å; L242-F244 VanDerWaalsContact O-N 3.08Å; L242-Q248 PolarHBondContact O-NE2 3.13Å
243	P	88.5	Confident	92.5	Very high	113 Å²	113	61.9 Å²	61.9	73%	0.734	30%	0.296	S	S	*	.	S	Bend	trans	-74.4	-0.3	-175.9	30.8	-35.5	0	0	0	113.4
244	F	89.7	Confident	92.5	Very high	123 Å²	123	62.5 Å²	62.5	54%	0.539	30%	0.303	S	S	.	.			trans	-124.6	152	-177	55.9	-95.5	0	0	0	111.9	W229 L242 H247	W229-F244 HydrophobicContact CH2-CD2 4.12Å; W229-F244 HydrophobicContact CH2-CE2 4.18Å; L242-F244 HydrophobicContact CB-CE1 4.42Å; L242-F244 HydrophobicContact CB-CZ 4.38Å; L242-F244 HydrophobicContact CD1-CE2 4.3Å; L242-F244 HydrophobicContact CD1-CZ 4.19Å; L242-F244 HydrophobicContact CD2-CE1 4.46Å; L242-F244 HydrophobicContact CD2-CZ 4.3Å; L242-F244 PolarHBondContact O-N 3.12Å; L242-F244 VanDerWaalsContact O-N 3.08Å; F244-H247 PolarHBondContact O-CE1 3.11Å
245	G	89.9	Confident	92.6	Very high	27 Å²	27	64.5 Å²	64.5	28%	0.278	32%	0.321	S	S	.	.	S	Bend	trans	118.9	164	176.8	0	0	0	0	0	112.7	H247 Q248	G245-H247 PolarHBondContact O-N 2.91Å; G245-Q248 PolarHBondContact O-N 2.72Å
246	K	92.2	Very high	92.8	Very high	112 Å²	112	67.1 Å²	67.1	49%	0.487	33%	0.331	S	S	.	.	H	α-helix	trans	-69.3	-18.8	-174.2	-66.8	-174.9	176.3	-172.1	0	113.9	L224 W229 K249 L250	L224-K246 HydrophobicContact CD2-CB 3.97Å; L224-K246 HydrophobicContact CD2-CD 3.78Å; L224-K246 HydrophobicContact CD2-CG 4.21Å; W229-K246 HydrophobicContact CB-CB 4.01Å; W229-K246 HydrophobicContact CG-CB 4.05Å; W229-K246 HydrophobicContact CG-CG 4.46Å; K246-K249 PolarHBondContact O-N 3.35Å; K246-L250 PolarHBondContact O-N 3.07Å; K246-L250 VanDerWaalsContact O-N 3.08Å
247	H	91	Very high	93	Very high	4 Å²	4	66.2 Å²	66.2	2%	0.019	33%	0.328	C	S	.	.	H	α-helix	trans	-68.6	-35.6	177.6	63.4	-82.3	0	0	0	112.2	W229 I239 F244 G245 L250 F251	W229-H247 AromaticContact CE3-ND1 3.63Å; I239-H247 PolarHBondContact O-NE2 3.07Å; F244-H247 PolarHBondContact O-CE1 3.11Å; G245-H247 PolarHBondContact O-N 2.91Å; H247-L250 WeakPolarHBondContact O-CB 3.44Å; H247-L250 PolarHBondContact O-N 2.85Å; H247-F251 HydrophobicContact CB-CE2 4.44Å; H247-F251 HydrophobicContact CB-CZ 4.47Å; H247-F251 AromaticContact CD2-CE2 3.97Å; H247-F251 VanDerWaalsContact O-CD2 3.3Å; H247-F251 WeakPolarHBondContact O-CD2 3.47Å; H247-F251 VanDerWaalsContact O-CG 3.26Å; H247-F251 WeakPolarHBondContact O-CG 3.41Å; H247-F251 PolarHBondContact O-N 3.46Å
248	Q	93.1	Very high	93.1	Very high	58 Å²	58	66.5 Å²	66.5	27%	0.271	32%	0.322	S	S	.	.	H	α-helix	trans	-64.2	-43.9	174.3	-64.9	-59.5	-13.4	0	0	111.7	E240 L242 G245 L250 F251 H252	E240-Q248 PolarHBondContact O-NE2 2.63Å; L242-Q248 PolarHBondContact O-NE2 3.13Å; G245-Q248 PolarHBondContact O-N 2.72Å; Q248-L250 VanDerWaalsContact C-N 3.29Å; Q248-L250 PolarHBondContact O-N 3.1Å; Q248-F251 PolarHBondContact O-N 3.25Å; Q248-H252 PolarHBondContact O-N 3.46Å
249	K	94.9	Very high	93.5	Very high	101 Å²	101	62.9 Å²	62.9	44%	0.439	31%	0.314	S	S	.	.	H	α-helix	trans	-58.5	-43.6	174.5	-169	175.4	-170.3	-170.4	0	111.3	E220 L224 K246 F251 H252 N253	E220-K249 VanDerWaalsContact CD-CE 3.49Å; E220-K249 WeakPolarHBondContact OE1-CE 3.32Å; E220-K249 IonicContact OE1-NZ 2.71Å; E220-K249 PolarHBondContact OE1-NZ 2.95Å; E220-K249 WeakPolarHBondContact OE2-CE 3.06Å; E220-K249 IonicContact OE2-NZ 3.3Å; E220-K249 PolarHBondContact OE2-NZ 3.45Å; L224-K249 HydrophobicContact CD1-CB 4.27Å; L224-K249 HydrophobicContact CD1-CD 4.42Å; L224-K249 HydrophobicContact CD1-CG 4.3Å; K246-K249 PolarHBondContact O-N 3.35Å; K249-F251 VanDerWaalsContact C-N 3.34Å; K249-F251 PolarHBondContact O-N 2.93Å; K249-H252 PolarHBondContact O-N 3.3Å; K249-N253 WeakPolarHBondContact O-CB 3.42Å; K249-N253 VanDerWaalsContact O-CG 3.27Å; K249-N253 PolarHBondContact O-N 2.72Å; K249-N253 PolarHBondContact O-OD1 2.85Å
250	L	94.5	Very high	93.6	Very high	5 Å²	5	64.3 Å²	64.3	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-57.7	-46.5	176.1	-172.3	162.5	0	0	0	111.5	L118 M122 N221 L224 K246 H247 Q248 A254	L118-L250 HydrophobicContact CD1-CD1 4.03Å; L118-L250 HydrophobicContact CD1-CD2 3.67Å; L118-L250 HydrophobicContact CD2-CD1 4.26Å; M122-L250 HydrophobicContact CE-CD2 4.19Å; M122-L250 HydrophobicContact CG-CD2 4.49Å; M122-L250 HydrophobicContact SD-CD2 3.62Å; N221-L250 HydrophobicContact CB-CG 4.47Å; N221-L250 PolarHBondContact ND2-O 2.83Å; N221-L250 WeakPolarHBondContact OD1-CA 3.06Å; N221-L250 PolarHBondContact OD1-O 3.32Å; L224-L250 HydrophobicContact CB-CB 4.33Å; L224-L250 HydrophobicContact CB-CD1 3.94Å; L224-L250 HydrophobicContact CB-CG 4.43Å; L224-L250 HydrophobicContact CD1-CB 4.13Å; K246-L250 PolarHBondContact O-N 3.07Å; K246-L250 VanDerWaalsContact O-N 3.08Å; H247-L250 WeakPolarHBondContact O-CB 3.44Å; H247-L250 PolarHBondContact O-N 2.85Å; Q248-L250 VanDerWaalsContact C-N 3.29Å; Q248-L250 PolarHBondContact O-N 3.1Å; L250-A254 VanDerWaalsContact O-CB 3.28Å; L250-A254 WeakPolarHBondContact O-CB 3.26Å; L250-A254 PolarHBondContact O-N 3.4Å
251	F	94.6	Very high	93.9	Very high	21 Å²	21	61.6 Å²	61.6	9%	0.092	31%	0.307	C	S	.	.	H	α-helix	trans	-65.7	-40	179.2	-58.7	-29.1	0	0	0	113	L118 K121 M122 Y233 E240 H247 Q248 K249 A254 A255	L118-F251 HydrophobicContact CD1-CE1 3.82Å; K121-F251 HydrophobicContact CD-CD1 3.98Å; K121-F251 HydrophobicContact CD-CD2 4.47Å; K121-F251 HydrophobicContact CD-CE1 3.6Å; K121-F251 HydrophobicContact CD-CE2 4.12Å; K121-F251 HydrophobicContact CD-CG 4.41Å; K121-F251 HydrophobicContact CD-CZ 3.69Å; M122-F251 HydrophobicContact CE-CD1 3.5Å; M122-F251 VanDerWaalsContact CE-CD1 3.5Å; M122-F251 HydrophobicContact CE-CE1 3.94Å; Y233-F251 HydrophobicContact CD1-CZ 4.13Å; Y233-F251 HydrophobicContact CD2-CZ 4.23Å; Y233-F251 HydrophobicContact CE1-CE1 4.26Å; Y233-F251 AromaticContact CE1-CZ 3.7Å; Y233-F251 HydrophobicContact CE1-CZ 3.7Å; Y233-F251 HydrophobicContact CE2-CE2 4.24Å; Y233-F251 AromaticContact CE2-CZ 3.82Å; Y233-F251 HydrophobicContact CE2-CZ 3.82Å; Y233-F251 HydrophobicContact CG-CZ 4.37Å; Y233-F251 AromaticContact CZ-CZ 3.54Å; E240-F251 HydrophobicContact CG-CE2 4.36Å; H247-F251 HydrophobicContact CB-CE2 4.44Å; H247-F251 HydrophobicContact CB-CZ 4.47Å; H247-F251 AromaticContact CD2-CE2 3.97Å; H247-F251 VanDerWaalsContact O-CD2 3.3Å; H247-F251 WeakPolarHBondContact O-CD2 3.47Å; H247-F251 VanDerWaalsContact O-CG 3.26Å; H247-F251 WeakPolarHBondContact O-CG 3.41Å; H247-F251 PolarHBondContact O-N 3.46Å; Q248-F251 PolarHBondContact O-N 3.25Å; K249-F251 VanDerWaalsContact C-N 3.34Å; K249-F251 PolarHBondContact O-N 2.93Å; F251-A254 PolarHBondContact O-N 3.13Å; F251-A255 PolarHBondContact O-N 3.32Å
252	H	95.4	Very high	94.1	Very high	126 Å²	126	55.8 Å²	55.8	58%	0.583	29%	0.287	S	S	*	.	H	α-helix	trans	-62	-52.7	175.8	-178	70.5	0	0	0	111.4	Q248 K249 A254 A255 E256	Q248-H252 PolarHBondContact O-N 3.46Å; K249-H252 PolarHBondContact O-N 3.3Å; H252-A254 PolarHBondContact O-N 3.08Å; H252-A255 PolarHBondContact O-N 3.31Å; H252-E256 PolarHBondContact O-N 3.46Å; H252-E256 VanDerWaalsContact O-N 3.09Å
253	N	96.8	Very high	94.3	Very high	7 Å²	7	60.4 Å²	60.4	4%	0.037	31%	0.305	C	S	.	.	H	α-helix	trans	-56.7	-40	175.9	-70.9	12.4	0	0	0	111.3	I217 E220 N221 K249 E256 V257	I217-N253 HydrophobicContact CB-CB 4.2Å; I217-N253 PolarHBondContact O-ND2 3.31Å; E220-N253 PolarHBondContact OE2-ND2 3.49Å; N221-N253 WeakPolarHBondContact ND2-CB 3.24Å; N221-N253 WeakPolarHBondContact OD1-CB 3.32Å; N221-N253 PolarHBondContact OD1-ND2 3.18Å; K249-N253 WeakPolarHBondContact O-CB 3.42Å; K249-N253 VanDerWaalsContact O-CG 3.27Å; K249-N253 PolarHBondContact O-N 2.72Å; K249-N253 PolarHBondContact O-OD1 2.85Å; N253-E256 PolarHBondContact O-N 2.91Å; N253-V257 VanDerWaalsContact O-CG2 3.27Å; N253-V257 WeakPolarHBondContact O-CG2 3.16Å; N253-V257 PolarHBondContact O-N 3.42Å
254	A	95	Very high	94.6	Very high	21 Å²	21	55.9 Å²	55.9	17%	0.174	28%	0.275	C	S	.	.	H	α-helix	trans	-66.5	-38.8	179.9	0	0	0	0	0	112.9	M122 N221 L250 F251 H252 Y258	M122-A254 HydrophobicContact CE-CB 4.01Å; M122-A254 HydrophobicContact SD-CB 3.44Å; M122-A254 WeakPolarHBondContact SD-CB 3.38Å; N221-A254 PolarHBondContact ND2-N 3.35Å; L250-A254 VanDerWaalsContact O-CB 3.28Å; L250-A254 WeakPolarHBondContact O-CB 3.26Å; L250-A254 PolarHBondContact O-N 3.4Å; F251-A254 PolarHBondContact O-N 3.13Å; H252-A254 PolarHBondContact O-N 3.08Å; A254-Y258 WeakPolarHBondContact O-CB 3.18Å; A254-Y258 PolarHBondContact O-N 3.29Å
255	A	96.3	Very high	94.8	Very high	54 Å²	54	50 Å²	50	45%	0.446	25%	0.25	S	C	.	.	H	α-helix	trans	-65.1	-43.9	175.1	0	0	0	0	0	111.4	F251 H252 Y258 D259	F251-A255 PolarHBondContact O-N 3.32Å; H252-A255 PolarHBondContact O-N 3.31Å; A255-Y258 WeakPolarHBondContact O-CB 3.01Å; A255-Y258 PolarHBondContact O-N 2.9Å; A255-D259 PolarHBondContact O-N 3.15Å
256	E	97.3	Very high	95	Very high	72 Å²	72	51.7 Å²	51.7	34%	0.336	26%	0.255	S	S	.	.	H	α-helix	trans	-63.6	-43.6	178	-175.5	175.3	175.1	0	0	112.4	H213 I217 H252 N253 Y258 D259 F260	H213-E256 IonicContact CD2-OE1 3.81Å; H213-E256 PolarHBondContact CD2-OE1 2.83Å; H213-E256 VanDerWaalsContact CD2-OE1 3.3Å; H213-E256 IonicContact NE2-OE1 3.74Å; H213-E256 PolarHBondContact NE2-OE1 3.46Å; I217-E256 HydrophobicContact CD1-CB 3.93Å; I217-E256 HydrophobicContact CD1-CG 3.75Å; H252-E256 PolarHBondContact O-N 3.46Å; H252-E256 VanDerWaalsContact O-N 3.09Å; N253-E256 PolarHBondContact O-N 2.91Å; E256-Y258 VanDerWaalsContact C-N 3.31Å; E256-Y258 PolarHBondContact O-N 2.86Å; E256-D259 PolarHBondContact O-N 3.31Å; E256-F260 WeakPolarHBondContact O-CB 3.44Å; E256-F260 PolarHBondContact O-N 2.65Å
257	V	96.2	Very high	95	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-59.9	-43.1	173.5	170	0	0	0	0	110.9	M214 I217 F218 N253 F260 L261	M214-V257 HydrophobicContact CG-CG2 4.29Å; I217-V257 HydrophobicContact CD1-CG2 3.72Å; I217-V257 HydrophobicContact CG1-CG2 3.66Å; F218-V257 HydrophobicContact CB-CG2 4.02Å; F218-V257 HydrophobicContact CD1-CG1 3.63Å; F218-V257 HydrophobicContact CD1-CG2 4.33Å; F218-V257 HydrophobicContact CE1-CG1 3.66Å; F218-V257 HydrophobicContact CG-CG1 4.17Å; F218-V257 HydrophobicContact CG-CG2 4.18Å; F218-V257 HydrophobicContact CZ-CG1 4.21Å; N253-V257 VanDerWaalsContact O-CG2 3.27Å; N253-V257 WeakPolarHBondContact O-CG2 3.16Å; N253-V257 PolarHBondContact O-N 3.42Å; V257-F260 PolarHBondContact O-N 3Å; V257-L261 HydrophobicContact CG1-CD1 3.8Å; V257-L261 HydrophobicContact CG1-CG 4.19Å; V257-L261 WeakPolarHBondContact O-CB 3.48Å; V257-L261 VanDerWaalsContact O-CG 3.28Å; V257-L261 WeakPolarHBondContact O-CG 3.25Å; V257-L261 PolarHBondContact O-N 3.41Å
258	Y	96.3	Very high	94.9	Very high	63 Å²	63	49.6 Å²	49.6	25%	0.247	26%	0.255	C	S	.	.	H	α-helix	trans	-60.3	-48.2	179	-175	-85.4	0	0	0	111.6	A254 A255 E256 F260 L261 Q262 I305 Y306	A254-Y258 WeakPolarHBondContact O-CB 3.18Å; A254-Y258 PolarHBondContact O-N 3.29Å; A255-Y258 WeakPolarHBondContact O-CB 3.01Å; A255-Y258 PolarHBondContact O-N 2.9Å; E256-Y258 VanDerWaalsContact C-N 3.31Å; E256-Y258 PolarHBondContact O-N 2.86Å; Y258-F260 VanDerWaalsContact C-N 3.34Å; Y258-F260 PolarHBondContact O-N 3.11Å; Y258-L261 PolarHBondContact O-N 3.31Å; Y258-Q262 WeakPolarHBondContact O-CB 3.28Å; Y258-Q262 PolarHBondContact O-N 2.98Å; Y258-I305 HydrophobicContact CD2-CB 4.43Å; Y258-I305 HydrophobicContact CD2-CG2 3.54Å; Y258-I305 HydrophobicContact CE1-CD1 4.03Å; Y258-I305 HydrophobicContact CE2-CB 3.99Å; Y258-I305 HydrophobicContact CE2-CD1 3.87Å; Y258-I305 HydrophobicContact CE2-CG2 3.59Å; Y258-I305 HydrophobicContact CG-CG2 4.21Å; Y258-I305 WeakPolarHBondContact OH-CD1 3.23Å; Y258-Y306 HydrophobicContact CD2-CD1 4.48Å; Y258-Y306 HydrophobicContact CD2-CE1 4.02Å; Y258-Y306 HydrophobicContact CE2-CD1 4.29Å; Y258-Y306 AromaticContact CE2-CE1 3.71Å; Y258-Y306 HydrophobicContact CE2-CE1 3.71Å
259	D	96.6	Very high	94.6	Very high	81 Å²	81	48.5 Å²	48.5	43%	0.433	25%	0.254	S	S	.	.	H	α-helix	trans	-63.5	-39.7	178.7	-74.1	-6.1	0	0	0	112.1	A255 E256 K263	A255-D259 PolarHBondContact O-N 3.15Å; E256-D259 PolarHBondContact O-N 3.31Å; D259-K263 WeakPolarHBondContact O-CG 3.27Å; D259-K263 PolarHBondContact O-N 2.89Å
260	F	95.6	Very high	94.3	Very high	43 Å²	43	50.5 Å²	50.5	19%	0.189	27%	0.265	C	S	.	.	H	α-helix	trans	-63.5	-50.6	175.5	-177.9	-89.8	0	0	0	111.3	N210 F211 M214 E256 V257 Y258 Q262 K263 V264	N210-F260 HydrophobicContact CB-CE2 3.86Å; F211-F260 HydrophobicContact CB-CZ 4.47Å; F211-F260 HydrophobicContact CD2-CE1 4.42Å; M214-F260 HydrophobicContact CB-CD1 3.85Å; M214-F260 HydrophobicContact CB-CD2 4.47Å; M214-F260 HydrophobicContact CB-CE1 4.01Å; M214-F260 HydrophobicContact CB-CG 4.07Å; M214-F260 HydrophobicContact CB-CZ 4.41Å; M214-F260 HydrophobicContact CE-CD1 4.06Å; M214-F260 HydrophobicContact CE-CE1 3.59Å; M214-F260 HydrophobicContact CE-CZ 4.42Å; M214-F260 HydrophobicContact CG-CB 4.28Å; M214-F260 HydrophobicContact CG-CD1 3.47Å; M214-F260 VanDerWaalsContact CG-CD1 3.47Å; M214-F260 HydrophobicContact CG-CE1 3.95Å; M214-F260 HydrophobicContact CG-CG 3.94Å; M214-F260 HydrophobicContact SD-CD1 3.31Å; M214-F260 WeakPolarHBondContact SD-CD1 3.47Å; M214-F260 HydrophobicContact SD-CE1 3.5Å; M214-F260 VanDerWaalsContact SD-CE1 3.5Å; M214-F260 HydrophobicContact SD-CG 4.35Å; E256-F260 WeakPolarHBondContact O-CB 3.44Å; E256-F260 PolarHBondContact O-N 2.65Å; V257-F260 PolarHBondContact O-N 3Å; Y258-F260 VanDerWaalsContact C-N 3.34Å; Y258-F260 PolarHBondContact O-N 3.11Å; F260-Q262 VanDerWaalsContact C-N 3.3Å; F260-Q262 PolarHBondContact O-N 2.95Å; F260-K263 PolarHBondContact O-N 3.44Å; F260-V264 HydrophobicContact CD1-CG2 3.88Å; F260-V264 HydrophobicContact CE1-CG2 3.45Å; F260-V264 VanDerWaalsContact CE1-CG2 3.45Å; F260-V264 HydrophobicContact CE2-CG2 4.32Å; F260-V264 HydrophobicContact CZ-CG2 3.7Å; F260-V264 WeakPolarHBondContact O-CG2 3.26Å; F260-V264 PolarHBondContact O-N 3.49Å
261	L	95.8	Very high	93.8	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-61.6	-39	179.6	-71.5	177.5	0	0	0	111.8	M214 V257 Y258 K263 V264 I265 I305 V308 G309 I312	M214-L261 HydrophobicContact SD-CD2 3.91Å; M214-L261 HydrophobicContact SD-CG 4.39Å; V257-L261 HydrophobicContact CG1-CD1 3.8Å; V257-L261 HydrophobicContact CG1-CG 4.19Å; V257-L261 WeakPolarHBondContact O-CB 3.48Å; V257-L261 VanDerWaalsContact O-CG 3.28Å; V257-L261 WeakPolarHBondContact O-CG 3.25Å; V257-L261 PolarHBondContact O-N 3.41Å; Y258-L261 PolarHBondContact O-N 3.31Å; L261-K263 PolarHBondContact O-N 2.93Å; L261-V264 PolarHBondContact O-N 3.11Å; L261-I265 HydrophobicContact CB-CD1 4.42Å; L261-I265 VanDerWaalsContact O-CB 3.3Å; L261-I265 WeakPolarHBondContact O-CB 3.49Å; L261-I265 WeakPolarHBondContact O-CD1 3.47Å; L261-I265 WeakPolarHBondContact O-CG1 3.34Å; L261-I265 PolarHBondContact O-N 3.5Å; L261-I305 HydrophobicContact CB-CG2 4.01Å; L261-I305 HydrophobicContact CD1-CG2 4.38Å; L261-V308 HydrophobicContact CD2-CG1 4.22Å; L261-G309 VanDerWaalsContact CD1-CA 3.47Å; L261-I312 HydrophobicContact CD2-CD1 3.84Å
262	Q	96.3	Very high	93.6	Very high	74 Å²	74	54.5 Å²	54.5	35%	0.346	30%	0.3	S	S	.	.	H	α-helix	trans	-58.7	-47	175.2	-177.2	177.4	53.5	0	0	111.8	Y258 F260 T266 Y301 I305	Y258-Q262 WeakPolarHBondContact O-CB 3.28Å; Y258-Q262 PolarHBondContact O-N 2.98Å; F260-Q262 VanDerWaalsContact C-N 3.3Å; F260-Q262 PolarHBondContact O-N 2.95Å; Q262-T266 WeakPolarHBondContact O-CB 3.42Å; Q262-T266 PolarHBondContact O-N 3.01Å; Q262-T266 PolarHBondContact O-OG1 3.39Å; Q262-Y301 HydrophobicContact CG-CE1 4.3Å; Q262-I305 HydrophobicContact CB-CD1 4.04Å; Q262-I305 HydrophobicContact CG-CD1 4.24Å
263	K	94.9	Very high	93.4	Very high	152 Å²	152	52.8 Å²	52.8	66%	0.661	30%	0.298	S	S	*	.	H	α-helix	trans	-62.2	-45.2	177.3	-70.5	168.5	-174.3	169.2	0	111.4	D259 F260 L261 T266 G267	D259-K263 WeakPolarHBondContact O-CG 3.27Å; D259-K263 PolarHBondContact O-N 2.89Å; F260-K263 PolarHBondContact O-N 3.44Å; L261-K263 PolarHBondContact O-N 2.93Å; K263-T266 PolarHBondContact O-N 3.18Å; K263-G267 PolarHBondContact O-N 3.37Å
264	V	93.4	Very high	93.1	Very high	19 Å²	19	55.8 Å²	55.8	12%	0.115	32%	0.318	C	S	.	.	H	α-helix	trans	-63.1	-50.2	179.5	169.3	0	0	0	0	111.4	F200 F204 F260 L261 T266 G267 F268	F200-V264 HydrophobicContact CD1-CG1 4.13Å; F200-V264 HydrophobicContact CE1-CG1 3.62Å; F200-V264 HydrophobicContact CE2-CG1 4.05Å; F200-V264 HydrophobicContact CZ-CG1 3.56Å; F204-V264 HydrophobicContact CZ-CG1 4.33Å; F260-V264 HydrophobicContact CD1-CG2 3.88Å; F260-V264 HydrophobicContact CE1-CG2 3.45Å; F260-V264 VanDerWaalsContact CE1-CG2 3.45Å; F260-V264 HydrophobicContact CE2-CG2 4.32Å; F260-V264 HydrophobicContact CZ-CG2 3.7Å; F260-V264 WeakPolarHBondContact O-CG2 3.26Å; F260-V264 PolarHBondContact O-N 3.49Å; L261-V264 PolarHBondContact O-N 3.11Å; V264-T266 VanDerWaalsContact C-N 3.29Å; V264-T266 PolarHBondContact O-N 3.05Å; V264-G267 PolarHBondContact O-N 3.42Å; V264-G267 VanDerWaalsContact O-N 3.16Å; V264-F268 HydrophobicContact CG1-CD2 3.57Å; V264-F268 HydrophobicContact CG1-CE2 3.66Å; V264-F268 VanDerWaalsContact O-CD2 3.24Å; V264-F268 WeakPolarHBondContact O-CD2 3.48Å; V264-F268 PolarHBondContact O-N 3.27Å
265	I	95.2	Very high	92.8	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-58.8	-44	178.3	-71.6	162.4	0	0	0	110.5	F200 L261 F268 S269 V281 Y301 L304 I305 V308	F200-I265 HydrophobicContact CE1-CG1 4.2Å; L261-I265 HydrophobicContact CB-CD1 4.42Å; L261-I265 VanDerWaalsContact O-CB 3.3Å; L261-I265 WeakPolarHBondContact O-CB 3.49Å; L261-I265 WeakPolarHBondContact O-CD1 3.47Å; L261-I265 WeakPolarHBondContact O-CG1 3.34Å; L261-I265 PolarHBondContact O-N 3.5Å; I265-F268 PolarHBondContact O-N 3.34Å; I265-S269 VanDerWaalsContact O-CB 3.32Å; I265-S269 WeakPolarHBondContact O-CB 2.98Å; I265-S269 PolarHBondContact O-N 3.44Å; I265-S269 PolarHBondContact O-OG 3.33Å; I265-V281 HydrophobicContact CG1-CG2 4.44Å; I265-V281 HydrophobicContact CG2-CG1 4.02Å; I265-Y301 HydrophobicContact CG2-CE2 4.26Å; I265-L304 HydrophobicContact CD1-CG 4.37Å; I265-L304 HydrophobicContact CG2-CD2 3.76Å; I265-L304 HydrophobicContact CG2-CG 4.29Å; I265-I305 HydrophobicContact CD1-CB 4.3Å; I265-I305 HydrophobicContact CD1-CG1 3.79Å; I265-V308 HydrophobicContact CD1-CB 4.07Å; I265-V308 HydrophobicContact CD1-CG1 4.1Å; I265-V308 HydrophobicContact CD1-CG2 4.1Å; I265-V308 HydrophobicContact CG1-CG1 4.36Å; I265-V308 HydrophobicContact CG1-CG2 4.47Å
266	T	94.2	Very high	92.5	Very high	62 Å²	62	61.3 Å²	61.3	38%	0.38	34%	0.34	S	S	.	.	H	α-helix	trans	-60.8	-46.9	176.4	-57.1	0	0	0	0	111.1	Q262 K263 V264 S269 Q270 Y301	Q262-T266 WeakPolarHBondContact O-CB 3.42Å; Q262-T266 PolarHBondContact O-N 3.01Å; Q262-T266 PolarHBondContact O-OG1 3.39Å; K263-T266 PolarHBondContact O-N 3.18Å; V264-T266 VanDerWaalsContact C-N 3.29Å; V264-T266 PolarHBondContact O-N 3.05Å; T266-S269 PolarHBondContact O-N 3.41Å; T266-S269 PolarHBondContact O-OG 2.64Å; T266-Q270 PolarHBondContact O-N 2.9Å; T266-Y301 PolarHBondContact OG1-OH 3.17Å; T266-Y301 VanDerWaalsContact OG1-OH 3.09Å
267	G	91.8	Very high	92.3	Very high	36 Å²	36	59.6 Å²	59.6	37%	0.371	34%	0.335	S	S	.	.	H	α-helix	trans	-58.9	-49.5	177.3	0	0	0	0	0	112.9	K263 V264 S269 Q270	K263-G267 PolarHBondContact O-N 3.37Å; V264-G267 PolarHBondContact O-N 3.42Å; V264-G267 VanDerWaalsContact O-N 3.16Å; G267-S269 VanDerWaalsContact C-N 3.28Å; G267-S269 PolarHBondContact O-N 3.29Å; G267-Q270 VanDerWaalsContact O-CB 3.32Å; G267-Q270 WeakPolarHBondContact O-CB 3.46Å; G267-Q270 WeakPolarHBondContact O-CG 3.46Å; G267-Q270 PolarHBondContact O-N 3.36Å; G267-Q270 VanDerWaalsContact O-N 3.15Å
268	F	88.1	Confident	92.1	Very high	35 Å²	35	64.8 Å²	64.8	15%	0.154	35%	0.354	C	S	.	.	H	α-helix	trans	-70.9	-22	-179.3	-77.3	-69.7	0	0	0	114.1	F200 Q202 F204 V264 I265 Q270 R278	F200-F268 HydrophobicContact CB-CD1 3.97Å; F200-F268 HydrophobicContact CB-CD2 3.83Å; F200-F268 HydrophobicContact CB-CE1 4.05Å; F200-F268 HydrophobicContact CB-CE2 3.91Å; F200-F268 HydrophobicContact CB-CG 3.87Å; F200-F268 HydrophobicContact CB-CZ 4.03Å; F200-F268 HydrophobicContact CD1-CB 4.25Å; F200-F268 AromaticContact CD1-CD2 3.58Å; F200-F268 HydrophobicContact CD1-CD2 3.58Å; F200-F268 HydrophobicContact CD1-CE2 4.18Å; F200-F268 HydrophobicContact CD1-CG 4.01Å; F200-F268 HydrophobicContact CD2-CE2 4.42Å; F200-F268 HydrophobicContact CE1-CD2 4.29Å; F200-F268 AromaticContact CG-CD2 3.76Å; F200-F268 HydrophobicContact CG-CD2 3.76Å; F200-F268 AromaticContact CG-CE2 3.93Å; F200-F268 HydrophobicContact CG-CE2 3.93Å; F200-F268 HydrophobicContact CG-CG 4.22Å; Q202-F268 HydrophobicContact CB-CE1 3.82Å; Q202-F268 HydrophobicContact CB-CZ 4.28Å; Q202-F268 HydrophobicContact CG-CE1 3.88Å; F204-F268 HydrophobicContact CE1-CE2 4.33Å; F204-F268 HydrophobicContact CE1-CZ 4.44Å; F204-F268 AromaticContact CZ-CE2 3.83Å; F204-F268 HydrophobicContact CZ-CE2 3.83Å; F204-F268 HydrophobicContact CZ-CZ 4.14Å; V264-F268 HydrophobicContact CG1-CD2 3.57Å; V264-F268 HydrophobicContact CG1-CE2 3.66Å; V264-F268 VanDerWaalsContact O-CD2 3.24Å; V264-F268 WeakPolarHBondContact O-CD2 3.48Å; V264-F268 PolarHBondContact O-N 3.27Å; I265-F268 PolarHBondContact O-N 3.34Å; F268-Q270 VanDerWaalsContact C-N 3.26Å; F268-Q270 PolarHBondContact O-N 3.45Å; F268-R278 PolarHBondContact O-NH2 2.83Å
269	S	88.4	Confident	91.9	Very high	35 Å²	35	62 Å²	62	25%	0.245	34%	0.343	C	S	.	.	H	α-helix	trans	-75	-12.6	172.7	72.2	0	0	0	0	113.7	I265 T266 G267 G271 R272	I265-S269 VanDerWaalsContact O-CB 3.32Å; I265-S269 WeakPolarHBondContact O-CB 2.98Å; I265-S269 PolarHBondContact O-N 3.44Å; I265-S269 PolarHBondContact O-OG 3.33Å; T266-S269 PolarHBondContact O-N 3.41Å; T266-S269 PolarHBondContact O-OG 2.64Å; G267-S269 VanDerWaalsContact C-N 3.28Å; G267-S269 PolarHBondContact O-N 3.29Å; S269-G271 PolarHBondContact O-N 3.26Å; S269-R272 VanDerWaalsContact O-CB 3.26Å; S269-R272 WeakPolarHBondContact O-CB 3.29Å; S269-R272 PolarHBondContact O-N 2.89Å
270	Q	88.3	Confident	91.9	Very high	144 Å²	144	58.2 Å²	58.2	67%	0.673	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	133.8	175.8	-63.8	-177.9	-4.1	0	0	110.6	T266 G267 F268 R272	T266-Q270 PolarHBondContact O-N 2.9Å; G267-Q270 VanDerWaalsContact O-CB 3.32Å; G267-Q270 WeakPolarHBondContact O-CB 3.46Å; G267-Q270 WeakPolarHBondContact O-CG 3.46Å; G267-Q270 PolarHBondContact O-N 3.36Å; G267-Q270 VanDerWaalsContact O-N 3.15Å; F268-Q270 VanDerWaalsContact C-N 3.26Å; F268-Q270 PolarHBondContact O-N 3.45Å; Q270-R272 PolarHBondContact O-N 2.93Å
271	G	83.8	Confident	92	Very high	66 Å²	66	56.1 Å²	56.1	68%	0.68	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	16.8	-176.6	0	0	0	0	0	114.4	S269	S269-G271 PolarHBondContact O-N 3.26Å
272	R	90.9	Very high	92	Very high	43 Å²	43	56 Å²	56	16%	0.162	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-58.3	135.8	169.5	171.5	173.7	161	-98.7	-2.5	110.4	S269 Q270 D282 D286 E289	S269-R272 VanDerWaalsContact O-CB 3.26Å; S269-R272 WeakPolarHBondContact O-CB 3.29Å; S269-R272 PolarHBondContact O-N 2.89Å; Q270-R272 PolarHBondContact O-N 2.93Å; R272-D282 HydrophobicContact CG-CB 4.48Å; R272-D286 IonicContact CZ-OD1 3.48Å; R272-D286 IonicContact NE-OD1 3.53Å; R272-D286 IonicContact NH2-OD1 2.66Å; R272-D286 PolarHBondContact NH2-OD1 3.03Å; R272-E289 IonicContact CZ-OE1 3.49Å; R272-E289 IonicContact CZ-OE2 3.59Å; R272-E289 IonicContact NH1-OE1 2.69Å; R272-E289 PolarHBondContact NH1-OE1 3.07Å; R272-E289 IonicContact NH1-OE2 3.5Å; R272-E289 IonicContact NH2-OE1 3.38Å; R272-E289 PolarHBondContact NH2-OE1 3.49Å; R272-E289 IonicContact NH2-OE2 2.75Å; R272-E289 PolarHBondContact NH2-OE2 2.92Å
273	V	91.1	Very high	92	Very high	91 Å²	91	52.9 Å²	52.9	55%	0.552	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-103.6	116.7	170.3	-178.8	0	0	0	0	108	A276	V273-A276 HydrophobicContact CB-CB 4.28Å; V273-A276 HydrophobicContact CG1-CB 4.11Å; V273-A276 PolarHBondContact O-N 3.45Å
274	P	89.4	Confident	92.1	Very high	69 Å²	69	45.7 Å²	45.7	45%	0.448	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	140	179.6	-26.7	35	0	0	0	112.4	A276	P274-A276 PolarHBondContact O-N 2.88Å; P274-A276 VanDerWaalsContact O-N 3.14Å
275	H	88.3	Confident	92.3	Very high	136 Å²	136	45.8 Å²	45.8	63%	0.63	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	8.2	-180	-48.4	-67.6	0	0	0	116	D286	H275-D286 PolarHBondContact N-OD1 2.73Å
276	A	91.3	Very high	92.3	Very high	55 Å²	55	46.2 Å²	46.2	46%	0.455	27%	0.271	S	S	.	.			trans	-125.2	62	172.1	0	0	0	0	0	110.8	V273 P274 R278	V273-A276 HydrophobicContact CB-CB 4.28Å; V273-A276 HydrophobicContact CG1-CB 4.11Å; V273-A276 PolarHBondContact O-N 3.45Å; P274-A276 PolarHBondContact O-N 2.88Å; P274-A276 VanDerWaalsContact O-N 3.14Å; A276-R278 PolarHBondContact O-N 2.82Å
277	P	92.4	Very high	92.4	Very high	36 Å²	36	46.2 Å²	46.2	23%	0.234	27%	0.267	C	S	.	.			trans	-70.9	131	-168.9	27.5	-33.4	0	0	0	111.9	Y151 D282 A283 D286	Y151-P277 WeakPolarHBondContact CE1-O 3.2Å; Y151-P277 WeakPolarHBondContact OH-CB 3.37Å; Y151-P277 WeakPolarHBondContact OH-CG 3.37Å; Y151-P277 PolarHBondContact OH-O 2.74Å; P277-D282 HydrophobicContact CB-CB 3.7Å; P277-A283 HydrophobicContact CB-CB 3.89Å; P277-A283 HydrophobicContact CG-CB 4.31Å; P277-D286 VanDerWaalsContact CD-OD2 3.31Å; P277-D286 WeakPolarHBondContact CD-OD2 3.15Å; P277-D286 WeakPolarHBondContact CG-OD2 3.38Å
278	R	91.1	Very high	92.5	Very high	117 Å²	117	46.7 Å²	46.7	44%	0.442	26%	0.261	S	S	.	.			trans	-90	-25.3	-177.2	-59.4	168.5	-63.7	174.4	6.3	113.4	Y151 F268 A276 D282	Y151-R278 WeakPolarHBondContact CD1-O 3.4Å; Y151-R278 VanDerWaalsContact CE1-O 3.31Å; Y151-R278 WeakPolarHBondContact CE1-O 3.38Å; F268-R278 PolarHBondContact O-NH2 2.83Å; A276-R278 PolarHBondContact O-N 2.82Å; R278-D282 WeakPolarHBondContact CB-OD2 3.48Å; R278-D282 IonicContact CZ-OD2 2.82Å; R278-D282 PolarHBondContact N-OD2 2.82Å; R278-D282 VanDerWaalsContact N-OD2 3.17Å; R278-D282 IonicContact NE-OD2 3.73Å; R278-D282 PolarHBondContact NE-OD2 3.48Å; R278-D282 IonicContact NH2-OD1 3.79Å; R278-D282 IonicContact NH2-OD2 3.5Å; R278-D282 PolarHBondContact NH2-OD2 3.39Å
279	H	93.6	Very high	92.8	Very high	5 Å²	5	49.3 Å²	49.3	2%	0.023	27%	0.273	C	S	.	.	S	Bend	trans	-158.7	177.3	-173.9	47.3	70.4	0	0	0	110.2	V198 I199 F200 V281 D282 A283	V198-H279 WeakPolarHBondContact O-CB 3.31Å; I199-H279 WeakPolarHBondContact O-CB 3.38Å; I199-H279 PolarHBondContact O-ND1 2.86Å; I199-H279 VanDerWaalsContact O-ND1 3.14Å; F200-H279 VanDerWaalsContact C-CG 3.47Å; F200-H279 PolarHBondContact O-CD2 2.79Å; H279-V281 VanDerWaalsContact C-N 3.32Å; H279-V281 PolarHBondContact O-N 2.81Å; H279-D282 IonicContact CE1-OD1 4Å; H279-D282 PolarHBondContact CE1-OD1 2.96Å; H279-D282 IonicContact CE1-OD2 3.3Å; H279-D282 IonicContact ND1-OD1 3.52Å; H279-D282 IonicContact NE2-OD1 3.2Å; H279-D282 IonicContact NE2-OD2 3.64Å; H279-D282 PolarHBondContact O-N 2.87Å; H279-A283 PolarHBondContact O-N 2.85Å; H279-A283 VanDerWaalsContact O-N 3.11Å
280	Y	96.7	Very high	93	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-53.1	-44.5	-176.7	180	-105.7	0	0	0	113.6	L143 A144 V198 I199 D282 A283 Y284 L304 S307 V308 L311	L143-Y280 HydrophobicContact CD2-CE2 4.02Å; L143-Y280 HydrophobicContact CG-CD2 4.43Å; L143-Y280 HydrophobicContact CG-CE2 3.88Å; A144-Y280 HydrophobicContact CB-CE2 4.14Å; V198-Y280 PolarHBondContact O-N 3.2Å; I199-Y280 PolarHBondContact O-N 2.84Å; Y280-D282 PolarHBondContact O-N 3.37Å; Y280-A283 PolarHBondContact O-N 2.82Å; Y280-Y284 HydrophobicContact CE1-CD2 4.28Å; Y280-Y284 WeakPolarHBondContact O-CB 3.17Å; Y280-Y284 PolarHBondContact O-N 3.37Å; Y280-L304 HydrophobicContact CE1-CD1 4.45Å; Y280-S307 WeakPolarHBondContact OH-CB 3.33Å; Y280-S307 PolarHBondContact OH-OG 2.96Å; Y280-V308 HydrophobicContact CD1-CG2 3.98Å; Y280-V308 HydrophobicContact CE1-CG2 3.94Å; Y280-L311 HydrophobicContact CD1-CD1 4.15Å; Y280-L311 HydrophobicContact CD2-CD1 4.46Å; Y280-L311 HydrophobicContact CE1-CD1 3.75Å; Y280-L311 HydrophobicContact CE2-CD1 4.1Å; Y280-L311 HydrophobicContact CG-CD1 4.48Å
281	V	96.9	Very high	93.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.3	-46.5	-180	171.7	0	0	0	0	111.5	I199 F200 I265 H279 A283 Y284 L285 V308	I199-V281 HydrophobicContact CG2-CG2 4.12Å; I199-V281 WeakPolarHBondContact O-CG2 3.44Å; I199-V281 PolarHBondContact O-N 3.22Å; F200-V281 HydrophobicContact CD1-CG2 4.01Å; F200-V281 HydrophobicContact CE1-CG2 4.05Å; I265-V281 HydrophobicContact CG1-CG2 4.44Å; I265-V281 HydrophobicContact CG2-CG1 4.02Å; H279-V281 VanDerWaalsContact C-N 3.32Å; H279-V281 PolarHBondContact O-N 2.81Å; V281-A283 VanDerWaalsContact C-N 3.34Å; V281-A283 PolarHBondContact O-N 3.34Å; V281-Y284 PolarHBondContact O-N 2.91Å; V281-L285 HydrophobicContact CG1-CD1 4.08Å; V281-L285 VanDerWaalsContact O-CG 3.31Å; V281-L285 WeakPolarHBondContact O-CG 3.36Å; V281-L285 PolarHBondContact O-N 3.44Å; V281-V308 HydrophobicContact CG2-CG2 4.07Å
282	D	95.6	Very high	93.5	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.2	-42.5	178.2	-71.9	-9.9	0	0	0	111.4	R272 P277 R278 H279 Y280 Y284 L285 D286	R272-D282 HydrophobicContact CG-CB 4.48Å; P277-D282 HydrophobicContact CB-CB 3.7Å; R278-D282 WeakPolarHBondContact CB-OD2 3.48Å; R278-D282 IonicContact CZ-OD2 2.82Å; R278-D282 PolarHBondContact N-OD2 2.82Å; R278-D282 VanDerWaalsContact N-OD2 3.17Å; R278-D282 IonicContact NE-OD2 3.73Å; R278-D282 PolarHBondContact NE-OD2 3.48Å; R278-D282 IonicContact NH2-OD1 3.79Å; R278-D282 IonicContact NH2-OD2 3.5Å; R278-D282 PolarHBondContact NH2-OD2 3.39Å; H279-D282 IonicContact CE1-OD1 4Å; H279-D282 PolarHBondContact CE1-OD1 2.96Å; H279-D282 IonicContact CE1-OD2 3.3Å; H279-D282 IonicContact ND1-OD1 3.52Å; H279-D282 IonicContact NE2-OD1 3.2Å; H279-D282 IonicContact NE2-OD2 3.64Å; H279-D282 PolarHBondContact O-N 2.87Å; Y280-D282 PolarHBondContact O-N 3.37Å; D282-Y284 VanDerWaalsContact C-N 3.31Å; D282-Y284 PolarHBondContact O-N 3.06Å; D282-L285 PolarHBondContact O-N 3.4Å; D282-D286 PolarHBondContact O-N 2.95Å
283	A	96.6	Very high	93.5	Very high	10 Å²	10	58.7 Å²	58.7	8%	0.083	30%	0.302	C	S	.	.	H	α-helix	trans	-64.1	-36.8	179	0	0	0	0	0	112	L143 Y151 P277 H279 Y280 V281 D286 E287	L143-A283 HydrophobicContact CD1-CB 4.02Å; Y151-A283 HydrophobicContact CE2-CB 4.34Å; P277-A283 HydrophobicContact CB-CB 3.89Å; P277-A283 HydrophobicContact CG-CB 4.31Å; H279-A283 PolarHBondContact O-N 2.85Å; H279-A283 VanDerWaalsContact O-N 3.11Å; Y280-A283 PolarHBondContact O-N 2.82Å; V281-A283 VanDerWaalsContact C-N 3.34Å; V281-A283 PolarHBondContact O-N 3.34Å; A283-D286 PolarHBondContact O-N 3.37Å; A283-E287 WeakPolarHBondContact O-CG 3.46Å; A283-E287 PolarHBondContact O-N 3.27Å
284	Y	97.6	Very high	93.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-68.2	-41.6	174.4	-166	-68.4	0	0	0	111.4	H140 L143 Y280 V281 D282 D286 E287 L288 F299 T300 N303 L304	H140-Y284 AromaticContact CD2-CE2 3.7Å; H140-Y284 AromaticContact NE2-CE2 3.74Å; H140-Y284 AromaticContact NE2-CZ 3.77Å; H140-Y284 PolarHBondContact NE2-OH 3.13Å; L143-Y284 HydrophobicContact CD2-CD2 3.5Å; L143-Y284 HydrophobicContact CD2-CE2 4.38Å; L143-Y284 HydrophobicContact CD2-CG 3.92Å; Y280-Y284 HydrophobicContact CE1-CD2 4.28Å; Y280-Y284 WeakPolarHBondContact O-CB 3.17Å; Y280-Y284 PolarHBondContact O-N 3.37Å; V281-Y284 PolarHBondContact O-N 2.91Å; D282-Y284 VanDerWaalsContact C-N 3.31Å; D282-Y284 PolarHBondContact O-N 3.06Å; Y284-D286 VanDerWaalsContact C-N 3.29Å; Y284-D286 PolarHBondContact O-N 3.06Å; Y284-E287 PolarHBondContact O-N 3Å; Y284-L288 HydrophobicContact CE1-CD1 4.39Å; Y284-L288 WeakPolarHBondContact O-CB 3.43Å; Y284-L288 PolarHBondContact O-N 2.95Å; Y284-F299 HydrophobicContact CD1-CD1 4.42Å; Y284-F299 HydrophobicContact CD2-CD1 4.29Å; Y284-F299 HydrophobicContact CE1-CB 4.2Å; Y284-F299 AromaticContact CE1-CD1 3.97Å; Y284-F299 HydrophobicContact CE1-CD1 3.97Å; Y284-F299 AromaticContact CE2-CD1 3.85Å; Y284-F299 HydrophobicContact CE2-CD1 3.85Å; Y284-F299 HydrophobicContact CE2-CE1 4.29Å; Y284-F299 AromaticContact CZ-CD1 3.68Å; Y284-T300 WeakPolarHBondContact CE1-O 3.39Å; Y284-T300 PolarHBondContact OH-N 2.9Å; Y284-T300 PolarHBondContact OH-O 3.28Å; Y284-N303 VanDerWaalsContact OH-C 3.25Å; Y284-N303 WeakPolarHBondContact OH-CB 3.16Å; Y284-L304 HydrophobicContact CD1-CB 3.78Å; Y284-L304 HydrophobicContact CD1-CD1 3.85Å; Y284-L304 HydrophobicContact CD1-CD2 4.19Å; Y284-L304 HydrophobicContact CD1-CG 4.14Å; Y284-L304 HydrophobicContact CD2-CD1 3.91Å; Y284-L304 HydrophobicContact CE1-CB 3.56Å; Y284-L304 HydrophobicContact CE1-CD1 4.43Å; Y284-L304 HydrophobicContact CE1-CG 4.42Å; Y284-L304 HydrophobicContact CE2-CB 4.32Å; Y284-L304 HydrophobicContact CE2-CD1 4.47Å; Y284-L304 HydrophobicContact CG-CB 4.28Å; Y284-L304 HydrophobicContact CG-CD1 3.58Å; Y284-L304 HydrophobicContact CG-CG 4.37Å; Y284-L304 PolarHBondContact OH-N 3.25Å; Y284-L304 VanDerWaalsContact OH-N 3.12Å
285	L	96.6	Very high	93.4	Very high	21 Å²	21	59.4 Å²	59.4	11%	0.11	31%	0.305	C	S	.	.	H	α-helix	trans	-64.2	-35.4	177	-68.4	173.2	0	0	0	111.7	V281 D282 L288 E289 L304	V281-L285 HydrophobicContact CG1-CD1 4.08Å; V281-L285 VanDerWaalsContact O-CG 3.31Å; V281-L285 WeakPolarHBondContact O-CG 3.36Å; V281-L285 PolarHBondContact O-N 3.44Å; D282-L285 PolarHBondContact O-N 3.4Å; L285-L288 PolarHBondContact O-N 3.04Å; L285-E289 WeakPolarHBondContact O-CG 3.27Å; L285-E289 PolarHBondContact O-N 3.32Å; L285-L304 HydrophobicContact CD2-CD2 3.9Å; L285-L304 HydrophobicContact CG-CD2 4.32Å
286	D	95.7	Very high	93.4	Very high	9 Å²	9	62.3 Å²	62.3	5%	0.048	31%	0.311	C	S	.	.	H	α-helix	trans	-60.3	-46	170.7	-75.2	-16.1	0	0	0	111.7	R272 H275 P277 D282 A283 Y284 L288 E289 Q290	R272-D286 IonicContact CZ-OD1 3.48Å; R272-D286 IonicContact NE-OD1 3.53Å; R272-D286 IonicContact NH2-OD1 2.66Å; R272-D286 PolarHBondContact NH2-OD1 3.03Å; H275-D286 PolarHBondContact N-OD1 2.73Å; P277-D286 VanDerWaalsContact CD-OD2 3.31Å; P277-D286 WeakPolarHBondContact CD-OD2 3.15Å; P277-D286 WeakPolarHBondContact CG-OD2 3.38Å; D282-D286 PolarHBondContact O-N 2.95Å; A283-D286 PolarHBondContact O-N 3.37Å; Y284-D286 VanDerWaalsContact C-N 3.29Å; Y284-D286 PolarHBondContact O-N 3.06Å; D286-L288 VanDerWaalsContact C-N 3.35Å; D286-E289 PolarHBondContact O-N 2.97Å; D286-Q290 WeakPolarHBondContact O-CB 3.27Å; D286-Q290 WeakPolarHBondContact O-CG 3.11Å; D286-Q290 PolarHBondContact O-N 3.38Å; D286-Q290 PolarHBondContact O-NE2 2.82Å
287	E	96.1	Very high	93.4	Very high	62 Å²	62	60.9 Å²	60.9	29%	0.29	30%	0.298	S	S	.	.	H	α-helix	trans	-64.1	-39.5	176.4	-71.4	-71.9	176.7	0	0	111.8	L143 A283 Y284 E289 Q290 N291 F299	L143-E287 HydrophobicContact CD1-CG 4.15Å; L143-E287 HydrophobicContact CD2-CG 4.36Å; A283-E287 WeakPolarHBondContact O-CG 3.46Å; A283-E287 PolarHBondContact O-N 3.27Å; Y284-E287 PolarHBondContact O-N 3Å; E287-E289 PolarHBondContact O-N 3.3Å; E287-Q290 PolarHBondContact O-N 3.05Å; E287-N291 WeakPolarHBondContact O-CB 3.44Å; E287-N291 PolarHBondContact O-N 3.43Å; E287-N291 PolarHBondContact O-ND2 2.93Å; E287-N291 PolarHBondContact OE2-ND2 3.15Å; E287-F299 HydrophobicContact CB-CD1 4.03Å; E287-F299 HydrophobicContact CB-CD2 3.96Å; E287-F299 HydrophobicContact CB-CE1 3.96Å; E287-F299 HydrophobicContact CB-CE2 3.88Å; E287-F299 HydrophobicContact CB-CG 4.02Å; E287-F299 HydrophobicContact CB-CZ 3.87Å; E287-F299 HydrophobicContact CG-CE1 4.3Å; E287-F299 HydrophobicContact CG-CE2 4.28Å; E287-F299 HydrophobicContact CG-CZ 3.99Å
288	L	94.6	Very high	93.5	Very high	47 Å²	47	60 Å²	60	25%	0.246	29%	0.293	C	S	.	.	H	α-helix	trans	-62	-43.4	176.8	-173.9	148.5	0	0	0	111.3	Y284 L285 D286 A292 F299	Y284-L288 HydrophobicContact CE1-CD1 4.39Å; Y284-L288 WeakPolarHBondContact O-CB 3.43Å; Y284-L288 PolarHBondContact O-N 2.95Å; L285-L288 PolarHBondContact O-N 3.04Å; D286-L288 VanDerWaalsContact C-N 3.35Å; L288-A292 WeakPolarHBondContact O-CA 3.34Å; L288-A292 PolarHBondContact O-N 3.15Å; L288-A292 VanDerWaalsContact O-N 3.08Å; L288-F299 HydrophobicContact CB-CB 4.42Å
289	E	93.9	Very high	93.8	Very high	90 Å²	90	55.3 Å²	55.3	42%	0.421	28%	0.275	S	S	.	.	H	α-helix	trans	-69	-45.3	177.3	-75.2	173.5	-176.7	0	0	112.5	R272 L285 D286 E287 N291 A292	R272-E289 IonicContact CZ-OE1 3.49Å; R272-E289 IonicContact CZ-OE2 3.59Å; R272-E289 IonicContact NH1-OE1 2.69Å; R272-E289 PolarHBondContact NH1-OE1 3.07Å; R272-E289 IonicContact NH1-OE2 3.5Å; R272-E289 IonicContact NH2-OE1 3.38Å; R272-E289 PolarHBondContact NH2-OE1 3.49Å; R272-E289 IonicContact NH2-OE2 2.75Å; R272-E289 PolarHBondContact NH2-OE2 2.92Å; L285-E289 WeakPolarHBondContact O-CG 3.27Å; L285-E289 PolarHBondContact O-N 3.32Å; D286-E289 PolarHBondContact O-N 2.97Å; E287-E289 PolarHBondContact O-N 3.3Å; E289-N291 PolarHBondContact O-N 2.88Å; E289-A292 WeakPolarHBondContact O-CB 3.26Å; E289-A292 PolarHBondContact O-N 2.93Å
290	Q	93.6	Very high	93.9	Very high	114 Å²	114	57.8 Å²	57.8	53%	0.533	29%	0.291	S	S	.	.	H	α-helix	trans	-61.7	-33.4	179.3	-73.5	171.6	42.5	0	0	112.2	D286 E287	D286-Q290 WeakPolarHBondContact O-CB 3.27Å; D286-Q290 WeakPolarHBondContact O-CG 3.11Å; D286-Q290 PolarHBondContact O-N 3.38Å; D286-Q290 PolarHBondContact O-NE2 2.82Å; E287-Q290 PolarHBondContact O-N 3.05Å
291	N	92	Very high	93.9	Very high	47 Å²	47	61.5 Å²	61.5	25%	0.251	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	10.3	-178.5	-62.5	-82.4	0	0	0	113.5	E287 E289 R293 D294 S297	E287-N291 WeakPolarHBondContact O-CB 3.44Å; E287-N291 PolarHBondContact O-N 3.43Å; E287-N291 PolarHBondContact O-ND2 2.93Å; E287-N291 PolarHBondContact OE2-ND2 3.15Å; E289-N291 PolarHBondContact O-N 2.88Å; N291-R293 PolarHBondContact O-N 3.05Å; N291-D294 PolarHBondContact O-N 3.4Å; N291-S297 VanDerWaalsContact CB-OG 3.31Å; N291-S297 WeakPolarHBondContact CB-OG 3.29Å
292	A	89.6	Confident	93.8	Very high	78 Å²	78	64.3 Å²	64.3	65%	0.645	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-24.6	-174.6	0	0	0	0	0	114.2	L288 E289	L288-A292 WeakPolarHBondContact O-CA 3.34Å; L288-A292 PolarHBondContact O-N 3.15Å; L288-A292 VanDerWaalsContact O-N 3.08Å; E289-A292 WeakPolarHBondContact O-CB 3.26Å; E289-A292 PolarHBondContact O-N 2.93Å
293	R	90.2	Very high	93.9	Very high	245 Å²	245	65.4 Å²	65.4	93%	0.925	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-9.3	178.5	-62.4	-176.2	-176.9	179.7	1.6	113.9	N291 P295	N291-R293 PolarHBondContact O-N 3.05Å; R293-P295 VanDerWaalsContact O-CD 3.3Å; R293-P295 WeakPolarHBondContact O-CD 3.34Å
294	D	91.7	Very high	94	Very high	47 Å²	47	64.9 Å²	64.9	25%	0.251	32%	0.32	S	S	.	.			trans	-90.2	109	177.1	-174.2	2.2	0	0	0	109.8	N291 R296 S297	N291-D294 PolarHBondContact O-N 3.4Å; D294-R296 PolarHBondContact O-N 3.39Å; D294-R296 WeakPolarHBondContact OD1-CB 3.32Å; D294-R296 PolarHBondContact OD1-N 3.45Å; D294-R296 IonicContact OD1-NE 3.44Å; D294-R296 PolarHBondContact OD1-NE 3.01Å; D294-S297 WeakPolarHBondContact O-CB 3.05Å; D294-S297 PolarHBondContact O-N 3.37Å
295	P	86.9	Confident	94	Very high	128 Å²	128	65 Å²	65	83%	0.831	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.4	178	29.1	-36	0	0	0	112.9	R293	R293-P295 VanDerWaalsContact O-CD 3.3Å; R293-P295 WeakPolarHBondContact O-CD 3.34Å
296	R	88.8	Confident	94	Very high	198 Å²	198	65.2 Å²	65.2	75%	0.747	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	1.2	175.1	-55.4	173.9	-62.8	177.6	1.4	112.6	D294 S298	D294-R296 PolarHBondContact O-N 3.39Å; D294-R296 WeakPolarHBondContact OD1-CB 3.32Å; D294-R296 PolarHBondContact OD1-N 3.45Å; D294-R296 IonicContact OD1-NE 3.44Å; D294-R296 PolarHBondContact OD1-NE 3.01Å; R296-S298 PolarHBondContact O-N 2.97Å
297	S	92.3	Very high	94.1	Very high	25 Å²	25	64.8 Å²	64.8	18%	0.175	32%	0.318	C	S	.	.			trans	-60.2	134.9	175.3	-177.6	0	0	0	0	110.1	N291 D294 F299	N291-S297 VanDerWaalsContact CB-OG 3.31Å; N291-S297 WeakPolarHBondContact CB-OG 3.29Å; D294-S297 WeakPolarHBondContact O-CB 3.05Å; D294-S297 PolarHBondContact O-N 3.37Å; S297-F299 PolarHBondContact OG-N 3.23Å
298	S	94.1	Very high	94.2	Very high	18 Å²	18	61.8 Å²	61.8	13%	0.126	30%	0.304	C	S	.	.			trans	-86.5	-14.2	173.7	65	0	0	0	0	112.5	G136 D139 H140 R296 T300 N303	G136-S298 VanDerWaalsContact CA-CB 3.41Å; G136-S298 WeakPolarHBondContact CA-OG 3.37Å; D139-S298 PolarHBondContact OD2-OG 3.23Å; H140-S298 PolarHBondContact CE1-O 3.29Å; H140-S298 PolarHBondContact CE1-OG 3.01Å; H140-S298 VanDerWaalsContact CE1-OG 3.27Å; H140-S298 PolarHBondContact ND1-OG 3.2Å; R296-S298 PolarHBondContact O-N 2.97Å; S298-T300 PolarHBondContact O-N 2.77Å; S298-N303 PolarHBondContact O-ND2 3.39Å
299	F	96.5	Very high	94.3	Very high	18 Å²	18	59.7 Å²	59.7	8%	0.079	29%	0.293	C	S	.	.			trans	-75.7	106	-178.9	-63.3	-71.8	0	0	0	110.4	D139 L143 Y284 E287 L288 S297	D139-F299 HydrophobicContact CB-CE2 4Å; D139-F299 HydrophobicContact CB-CZ 3.8Å; L143-F299 HydrophobicContact CD2-CE1 3.82Å; Y284-F299 HydrophobicContact CD1-CD1 4.42Å; Y284-F299 HydrophobicContact CD2-CD1 4.29Å; Y284-F299 HydrophobicContact CE1-CB 4.2Å; Y284-F299 AromaticContact CE1-CD1 3.97Å; Y284-F299 HydrophobicContact CE1-CD1 3.97Å; Y284-F299 AromaticContact CE2-CD1 3.85Å; Y284-F299 HydrophobicContact CE2-CD1 3.85Å; Y284-F299 HydrophobicContact CE2-CE1 4.29Å; Y284-F299 AromaticContact CZ-CD1 3.68Å; E287-F299 HydrophobicContact CB-CD1 4.03Å; E287-F299 HydrophobicContact CB-CD2 3.96Å; E287-F299 HydrophobicContact CB-CE1 3.96Å; E287-F299 HydrophobicContact CB-CE2 3.88Å; E287-F299 HydrophobicContact CB-CG 4.02Å; E287-F299 HydrophobicContact CB-CZ 3.87Å; E287-F299 HydrophobicContact CG-CE1 4.3Å; E287-F299 HydrophobicContact CG-CE2 4.28Å; E287-F299 HydrophobicContact CG-CZ 3.99Å; L288-F299 HydrophobicContact CB-CB 4.42Å; S297-F299 PolarHBondContact OG-N 3.23Å
300	T	96.1	Very high	94.5	Very high	57 Å²	57	56.2 Å²	56.2	35%	0.35	28%	0.277	S	S	.	.			trans	-125.7	159.8	171.7	68.8	0	0	0	0	109.6	Y284 S298 E302 N303 L304	Y284-T300 WeakPolarHBondContact CE1-O 3.39Å; Y284-T300 PolarHBondContact OH-N 2.9Å; Y284-T300 PolarHBondContact OH-O 3.28Å; S298-T300 PolarHBondContact O-N 2.77Å; T300-E302 PolarHBondContact O-N 2.87Å; T300-N303 PolarHBondContact O-N 3.3Å; T300-N303 WeakPolarHBondContact OG1-CB 3.38Å; T300-N303 PolarHBondContact OG1-N 3.31Å; T300-N303 PolarHBondContact OG1-ND2 3.06Å; T300-L304 PolarHBondContact O-N 3.36Å
301	Y	95.7	Very high	94.6	Very high	78 Å²	78	51.1 Å²	51.1	31%	0.306	25%	0.254	S	S	.	.	H	α-helix	trans	-63.5	-32.9	175.3	-166.8	-94.8	0	0	0	111.9	Q262 I265 T266 L304 I305	Q262-Y301 HydrophobicContact CG-CE1 4.3Å; I265-Y301 HydrophobicContact CG2-CE2 4.26Å; T266-Y301 PolarHBondContact OG1-OH 3.17Å; T266-Y301 VanDerWaalsContact OG1-OH 3.09Å; Y301-L304 HydrophobicContact CD2-CD2 4.22Å; Y301-L304 HydrophobicContact CE2-CD2 4.22Å; Y301-L304 WeakPolarHBondContact O-CB 3.27Å; Y301-L304 PolarHBondContact O-N 3.08Å; Y301-I305 HydrophobicContact CD1-CD1 3.93Å; Y301-I305 HydrophobicContact CD1-CG1 4.48Å; Y301-I305 HydrophobicContact CE1-CD1 3.71Å; Y301-I305 HydrophobicContact CE1-CG1 4.24Å; Y301-I305 PolarHBondContact O-N 3.28Å; Y301-I305 VanDerWaalsContact O-N 3.17Å
302	E	96.1	Very high	94.8	Very high	58 Å²	58	48.9 Å²	48.9	27%	0.271	24%	0.242	S	C	.	.	H	α-helix	trans	-63.5	-46.1	173	179.6	172.7	-118.3	0	0	111.3	K124 T300 L304 I305 Y306	K124-E302 WeakPolarHBondContact CE-OE1 3.17Å; K124-E302 IonicContact NZ-OE1 2.67Å; K124-E302 PolarHBondContact NZ-OE1 3.5Å; K124-E302 IonicContact NZ-OE2 2.85Å; K124-E302 PolarHBondContact NZ-OE2 3.3Å; T300-E302 PolarHBondContact O-N 2.87Å; E302-L304 VanDerWaalsContact C-N 3.27Å; E302-L304 PolarHBondContact O-N 3.41Å; E302-I305 PolarHBondContact O-N 3.46Å; E302-Y306 VanDerWaalsContact CD-OH 3.23Å; E302-Y306 HydrophobicContact CG-CD2 4.13Å; E302-Y306 HydrophobicContact CG-CE1 4.1Å; E302-Y306 HydrophobicContact CG-CE2 3.36Å; E302-Y306 WeakPolarHBondContact CG-OH 3.29Å; E302-Y306 VanDerWaalsContact O-CG 3.32Å; E302-Y306 PolarHBondContact O-N 3.24Å; E302-Y306 PolarHBondContact OE1-OH 3.3Å
303	N	97.3	Very high	95.1	Very high	23 Å²	23	45.9 Å²	45.9	12%	0.123	22%	0.215	C	C	.	.	H	α-helix	trans	-67	-25.6	175.4	-79.6	-29.8	0	0	0	113.2	G126 G127 H140 Y284 S298 T300 S307	G126-N303 WeakPolarHBondContact CA-OD1 3.37Å; G127-N303 PolarHBondContact N-OD1 3.4Å; H140-N303 WeakPolarHBondContact NE2-CB 3.37Å; Y284-N303 VanDerWaalsContact OH-C 3.25Å; Y284-N303 WeakPolarHBondContact OH-CB 3.16Å; S298-N303 PolarHBondContact O-ND2 3.39Å; T300-N303 PolarHBondContact O-N 3.3Å; T300-N303 WeakPolarHBondContact OG1-CB 3.38Å; T300-N303 PolarHBondContact OG1-N 3.31Å; T300-N303 PolarHBondContact OG1-ND2 3.06Å; N303-S307 VanDerWaalsContact O-CB 3.26Å; N303-S307 WeakPolarHBondContact O-CB 3.34Å; N303-S307 PolarHBondContact O-N 3.42Å; N303-S307 PolarHBondContact O-OG 3.04Å
304	L	97.9	Very high	95.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.4	-50	170.8	172.6	56.5	0	0	0	110.3	I265 Y280 Y284 L285 T300 Y301 E302 Y306 S307 V308	I265-L304 HydrophobicContact CD1-CG 4.37Å; I265-L304 HydrophobicContact CG2-CD2 3.76Å; I265-L304 HydrophobicContact CG2-CG 4.29Å; Y280-L304 HydrophobicContact CE1-CD1 4.45Å; Y284-L304 HydrophobicContact CD1-CB 3.78Å; Y284-L304 HydrophobicContact CD1-CD1 3.85Å; Y284-L304 HydrophobicContact CD1-CD2 4.19Å; Y284-L304 HydrophobicContact CD1-CG 4.14Å; Y284-L304 HydrophobicContact CD2-CD1 3.91Å; Y284-L304 HydrophobicContact CE1-CB 3.56Å; Y284-L304 HydrophobicContact CE1-CD1 4.43Å; Y284-L304 HydrophobicContact CE1-CG 4.42Å; Y284-L304 HydrophobicContact CE2-CB 4.32Å; Y284-L304 HydrophobicContact CE2-CD1 4.47Å; Y284-L304 HydrophobicContact CG-CB 4.28Å; Y284-L304 HydrophobicContact CG-CD1 3.58Å; Y284-L304 HydrophobicContact CG-CG 4.37Å; Y284-L304 PolarHBondContact OH-N 3.25Å; Y284-L304 VanDerWaalsContact OH-N 3.12Å; L285-L304 HydrophobicContact CD2-CD2 3.9Å; L285-L304 HydrophobicContact CG-CD2 4.32Å; T300-L304 PolarHBondContact O-N 3.36Å; Y301-L304 HydrophobicContact CD2-CD2 4.22Å; Y301-L304 HydrophobicContact CE2-CD2 4.22Å; Y301-L304 WeakPolarHBondContact O-CB 3.27Å; Y301-L304 PolarHBondContact O-N 3.08Å; E302-L304 VanDerWaalsContact C-N 3.27Å; E302-L304 PolarHBondContact O-N 3.41Å; L304-Y306 VanDerWaalsContact C-N 3.34Å; L304-Y306 PolarHBondContact O-N 3.36Å; L304-S307 PolarHBondContact O-N 3Å; L304-S307 PolarHBondContact O-OG 3.08Å; L304-S307 VanDerWaalsContact O-OG 3.05Å; L304-V308 HydrophobicContact CD1-CG2 3.72Å; L304-V308 HydrophobicContact CG-CG2 4.49Å; L304-V308 WeakPolarHBondContact O-CB 3.34Å; L304-V308 VanDerWaalsContact O-CG2 3.26Å; L304-V308 WeakPolarHBondContact O-CG2 3.07Å; L304-V308 PolarHBondContact O-N 3.21Å
305	I	97.8	Very high	95.6	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-60.6	-45.7	178.4	-63.9	165.1	0	0	0	110.4	Y258 L261 Q262 I265 Y301 E302 G309	Y258-I305 HydrophobicContact CD2-CB 4.43Å; Y258-I305 HydrophobicContact CD2-CG2 3.54Å; Y258-I305 HydrophobicContact CE1-CD1 4.03Å; Y258-I305 HydrophobicContact CE2-CB 3.99Å; Y258-I305 HydrophobicContact CE2-CD1 3.87Å; Y258-I305 HydrophobicContact CE2-CG2 3.59Å; Y258-I305 HydrophobicContact CG-CG2 4.21Å; Y258-I305 WeakPolarHBondContact OH-CD1 3.23Å; L261-I305 HydrophobicContact CB-CG2 4.01Å; L261-I305 HydrophobicContact CD1-CG2 4.38Å; Q262-I305 HydrophobicContact CB-CD1 4.04Å; Q262-I305 HydrophobicContact CG-CD1 4.24Å; I265-I305 HydrophobicContact CD1-CB 4.3Å; I265-I305 HydrophobicContact CD1-CG1 3.79Å; Y301-I305 HydrophobicContact CD1-CD1 3.93Å; Y301-I305 HydrophobicContact CD1-CG1 4.48Å; Y301-I305 HydrophobicContact CE1-CD1 3.71Å; Y301-I305 HydrophobicContact CE1-CG1 4.24Å; Y301-I305 PolarHBondContact O-N 3.28Å; Y301-I305 VanDerWaalsContact O-N 3.17Å; E302-I305 PolarHBondContact O-N 3.46Å; I305-G309 PolarHBondContact O-N 3.3Å
306	Y	97.4	Very high	96	Very high	25 Å²	25	28.5 Å²	28.5	10%	0.098	14%	0.143	C	C	.	.	H	α-helix	trans	-60.6	-51.3	178	-61.1	-23.3	0	0	0	112.2	M122 T123 Y258 E302 L304 V308 G309 E310	M122-Y306 WeakPolarHBondContact O-CE1 3.44Å; T123-Y306 VanDerWaalsContact C-CE2 3.5Å; T123-Y306 HydrophobicContact CG2-CD1 4.35Å; T123-Y306 HydrophobicContact CG2-CD2 4.49Å; T123-Y306 HydrophobicContact CG2-CG 4.18Å; T123-Y306 VanDerWaalsContact O-CE2 3.23Å; T123-Y306 WeakPolarHBondContact O-CE2 3.49Å; Y258-Y306 HydrophobicContact CD2-CD1 4.48Å; Y258-Y306 HydrophobicContact CD2-CE1 4.02Å; Y258-Y306 HydrophobicContact CE2-CD1 4.29Å; Y258-Y306 AromaticContact CE2-CE1 3.71Å; Y258-Y306 HydrophobicContact CE2-CE1 3.71Å; E302-Y306 VanDerWaalsContact CD-OH 3.23Å; E302-Y306 HydrophobicContact CG-CD2 4.13Å; E302-Y306 HydrophobicContact CG-CE1 4.1Å; E302-Y306 HydrophobicContact CG-CE2 3.36Å; E302-Y306 WeakPolarHBondContact CG-OH 3.29Å; E302-Y306 VanDerWaalsContact O-CG 3.32Å; E302-Y306 PolarHBondContact O-N 3.24Å; E302-Y306 PolarHBondContact OE1-OH 3.3Å; L304-Y306 VanDerWaalsContact C-N 3.34Å; L304-Y306 PolarHBondContact O-N 3.36Å; Y306-V308 PolarHBondContact O-N 2.94Å; Y306-G309 PolarHBondContact O-N 3.15Å; Y306-E310 WeakPolarHBondContact O-CB 3.43Å; Y306-E310 WeakPolarHBondContact O-CG 3.18Å; Y306-E310 PolarHBondContact O-N 2.88Å
307	S	97.6	Very high	96.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.6	-39.6	-178.1	56.9	0	0	0	0	112.5	Y280 N303 L304 E310 L311	Y280-S307 WeakPolarHBondContact OH-CB 3.33Å; Y280-S307 PolarHBondContact OH-OG 2.96Å; N303-S307 VanDerWaalsContact O-CB 3.26Å; N303-S307 WeakPolarHBondContact O-CB 3.34Å; N303-S307 PolarHBondContact O-N 3.42Å; N303-S307 PolarHBondContact O-OG 3.04Å; L304-S307 PolarHBondContact O-N 3Å; L304-S307 PolarHBondContact O-OG 3.08Å; L304-S307 VanDerWaalsContact O-OG 3.05Å; S307-E310 PolarHBondContact O-N 2.85Å; S307-L311 WeakPolarHBondContact O-CB 3.28Å; S307-L311 WeakPolarHBondContact O-CD1 3.42Å; S307-L311 WeakPolarHBondContact O-CG 3.37Å; S307-L311 PolarHBondContact O-N 3.45Å
308	V	97.7	Very high	96.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.8	-50.8	173.4	165.9	0	0	0	0	110.9	I199 F200 L261 I265 Y280 V281 L304 Y306 E310 L311 I312	I199-V308 HydrophobicContact CG2-CG1 3.93Å; I199-V308 HydrophobicContact CG2-CG2 4.11Å; F200-V308 HydrophobicContact CE1-CG1 4.09Å; F200-V308 HydrophobicContact CZ-CG1 3.76Å; L261-V308 HydrophobicContact CD2-CG1 4.22Å; I265-V308 HydrophobicContact CD1-CB 4.07Å; I265-V308 HydrophobicContact CD1-CG1 4.1Å; I265-V308 HydrophobicContact CD1-CG2 4.1Å; I265-V308 HydrophobicContact CG1-CG1 4.36Å; I265-V308 HydrophobicContact CG1-CG2 4.47Å; Y280-V308 HydrophobicContact CD1-CG2 3.98Å; Y280-V308 HydrophobicContact CE1-CG2 3.94Å; V281-V308 HydrophobicContact CG2-CG2 4.07Å; L304-V308 HydrophobicContact CD1-CG2 3.72Å; L304-V308 HydrophobicContact CG-CG2 4.49Å; L304-V308 WeakPolarHBondContact O-CB 3.34Å; L304-V308 VanDerWaalsContact O-CG2 3.26Å; L304-V308 WeakPolarHBondContact O-CG2 3.07Å; L304-V308 PolarHBondContact O-N 3.21Å; Y306-V308 PolarHBondContact O-N 2.94Å; V308-E310 VanDerWaalsContact C-N 3.35Å; V308-E310 PolarHBondContact O-N 2.93Å; V308-L311 PolarHBondContact O-N 3.19Å; V308-I312 HydrophobicContact CG1-CD1 3.76Å; V308-I312 HydrophobicContact CG1-CG1 4.48Å; V308-I312 WeakPolarHBondContact O-CG1 3.17Å; V308-I312 PolarHBondContact O-N 3.42Å
309	G	97.1	Very high	96.7	Very high	2 Å²	2	19.5 Å²	19.5	2%	0.021	11%	0.107	C	C	.	.	H	α-helix	trans	-60	-44.6	179	0	0	0	0	0	112.4	F218 L261 I305 Y306 L311 I312 I313	F218-G309 VanDerWaalsContact CE1-O 3.3Å; F218-G309 WeakPolarHBondContact CE1-O 3.45Å; F218-G309 WeakPolarHBondContact CZ-O 3.38Å; L261-G309 VanDerWaalsContact CD1-CA 3.47Å; I305-G309 PolarHBondContact O-N 3.3Å; Y306-G309 PolarHBondContact O-N 3.15Å; G309-L311 PolarHBondContact O-N 3.35Å; G309-I312 PolarHBondContact O-N 3.17Å; G309-I313 WeakPolarHBondContact O-CG2 3.39Å; G309-I313 PolarHBondContact O-N 3.03Å
310	E	97.3	Very high	96.8	Very high	17 Å²	17	18.8 Å²	18.8	8%	0.079	10%	0.104	C	C	.	.	H	α-helix	trans	-61.7	-40.7	176.7	-73.3	173.4	149.8	0	0	112.6	L128 L129 N130 Y306 S307 V308 A314	L128-E310 WeakPolarHBondContact CA-OE2 3.36Å; L128-E310 PolarHBondContact N-OE2 3.3Å; L129-E310 HydrophobicContact CB-CB 3.92Å; L129-E310 VanDerWaalsContact CB-CD 3.43Å; L129-E310 HydrophobicContact CB-CG 3.79Å; L129-E310 WeakPolarHBondContact CB-OE1 3.23Å; L129-E310 VanDerWaalsContact N-CD 3.28Å; L129-E310 PolarHBondContact N-OE1 3.07Å; L129-E310 PolarHBondContact N-OE2 3.01Å; N130-E310 PolarHBondContact N-OE1 2.97Å; Y306-E310 WeakPolarHBondContact O-CB 3.43Å; Y306-E310 WeakPolarHBondContact O-CG 3.18Å; Y306-E310 PolarHBondContact O-N 2.88Å; S307-E310 PolarHBondContact O-N 2.85Å; V308-E310 VanDerWaalsContact C-N 3.35Å; V308-E310 PolarHBondContact O-N 2.93Å; E310-A314 WeakPolarHBondContact O-CB 3.4Å; E310-A314 PolarHBondContact O-N 2.93Å
311	L	97.7	Very high	96.9	Very high	7 Å²	7	16.1 Å²	16.1	4%	0.037	9%	0.088	C	C	.	.	H	α-helix	trans	-68.8	-42	177.5	-72	167.2	0	0	0	111.9	L128 A144 F148 I199 Y280 S307 V308 G309 G315 V455	L128-L311 HydrophobicContact CD2-CD2 3.88Å; L128-L311 HydrophobicContact CD2-CG 4.3Å; A144-L311 HydrophobicContact CB-CD1 4.47Å; A144-L311 HydrophobicContact CB-CD2 4.43Å; F148-L311 HydrophobicContact CE2-CD1 4.02Å; F148-L311 HydrophobicContact CE2-CD2 3.74Å; F148-L311 HydrophobicContact CE2-CG 4.34Å; F148-L311 HydrophobicContact CZ-CB 4.45Å; F148-L311 HydrophobicContact CZ-CD2 3.87Å; I199-L311 HydrophobicContact CD1-CB 3.72Å; Y280-L311 HydrophobicContact CD1-CD1 4.15Å; Y280-L311 HydrophobicContact CD2-CD1 4.46Å; Y280-L311 HydrophobicContact CE1-CD1 3.75Å; Y280-L311 HydrophobicContact CE2-CD1 4.1Å; Y280-L311 HydrophobicContact CG-CD1 4.48Å; S307-L311 WeakPolarHBondContact O-CB 3.28Å; S307-L311 WeakPolarHBondContact O-CD1 3.42Å; S307-L311 WeakPolarHBondContact O-CG 3.37Å; S307-L311 PolarHBondContact O-N 3.45Å; V308-L311 PolarHBondContact O-N 3.19Å; G309-L311 PolarHBondContact O-N 3.35Å; L311-G315 PolarHBondContact O-N 3.27Å; L311-V455 HydrophobicContact CD2-CG1 3.96Å
312	I	96.1	Very high	97.1	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-60.6	-54.8	176.9	-70.4	170	0	0	0	110.4	I199 F200 I215 L261 V308 G309 A314 G315 T316	I199-I312 HydrophobicContact CD1-CD1 4.49Å; I199-I312 HydrophobicContact CD1-CG1 3.6Å; F200-I312 HydrophobicContact CE2-CD1 3.7Å; F200-I312 HydrophobicContact CZ-CD1 3.78Å; I215-I312 HydrophobicContact CD1-CG2 3.56Å; L261-I312 HydrophobicContact CD2-CD1 3.84Å; V308-I312 HydrophobicContact CG1-CD1 3.76Å; V308-I312 HydrophobicContact CG1-CG1 4.48Å; V308-I312 WeakPolarHBondContact O-CG1 3.17Å; V308-I312 PolarHBondContact O-N 3.42Å; G309-I312 PolarHBondContact O-N 3.17Å; I312-A314 VanDerWaalsContact C-N 3.35Å; I312-A314 PolarHBondContact O-N 2.81Å; I312-G315 PolarHBondContact O-N 2.79Å; I312-T316 WeakPolarHBondContact O-CB 3.4Å; I312-T316 PolarHBondContact O-N 2.82Å; I312-T316 PolarHBondContact O-OG1 3.34Å
313	I	95.6	Very high	97.2	Very high	14 Å²	14	10 Å²	10	7%	0.072	6%	0.063	C	C	.	.	H	α-helix	trans	-67.8	-36.7	-175.7	-166.2	59.7	0	0	0	111.6	F218 V222 G309 E317	F218-I313 HydrophobicContact CB-CD1 4.03Å; F218-I313 HydrophobicContact CD1-CB 4.06Å; F218-I313 HydrophobicContact CD1-CD1 4.4Å; F218-I313 HydrophobicContact CD1-CG1 4.46Å; F218-I313 HydrophobicContact CD2-CB 4.1Å; F218-I313 HydrophobicContact CD2-CD1 4.11Å; F218-I313 HydrophobicContact CD2-CG1 3.86Å; F218-I313 HydrophobicContact CD2-CG2 4.48Å; F218-I313 HydrophobicContact CE1-CB 3.92Å; F218-I313 HydrophobicContact CE1-CG2 4.27Å; F218-I313 HydrophobicContact CE2-CB 3.96Å; F218-I313 HydrophobicContact CE2-CG1 4.1Å; F218-I313 HydrophobicContact CE2-CG2 3.89Å; F218-I313 HydrophobicContact CG-CB 4.16Å; F218-I313 HydrophobicContact CG-CD1 3.9Å; F218-I313 HydrophobicContact CG-CG1 4.06Å; F218-I313 HydrophobicContact CZ-CB 3.88Å; F218-I313 HydrophobicContact CZ-CG2 3.77Å; V222-I313 HydrophobicContact CG2-CD1 4.04Å; V222-I313 HydrophobicContact CG2-CG1 3.54Å; G309-I313 WeakPolarHBondContact O-CG2 3.39Å; G309-I313 PolarHBondContact O-N 3.03Å; I313-E317 HydrophobicContact CD1-CB 4.17Å; I313-E317 HydrophobicContact CG1-CB 4.49Å; I313-E317 WeakPolarHBondContact O-CB 3.31Å; I313-E317 PolarHBondContact O-N 3.07Å
314	A	96.1	Very high	97.3	Very high	38 Å²	38	9 Å²	9	31%	0.314	6%	0.057	S	C	.	.	H	α-helix	trans	-64.2	-44.8	178	0	0	0	0	0	112.1	L129 E310 I312 T318	L129-A314 HydrophobicContact CD1-CB 4.44Å; E310-A314 WeakPolarHBondContact O-CB 3.4Å; E310-A314 PolarHBondContact O-N 2.93Å; I312-A314 VanDerWaalsContact C-N 3.35Å; I312-A314 PolarHBondContact O-N 2.81Å; A314-T318 WeakPolarHBondContact O-CB 3.46Å; A314-T318 WeakPolarHBondContact O-CG2 3.29Å; A314-T318 PolarHBondContact O-OG1 3.37Å
315	G	95.2	Very high	97.3	Very high	17 Å²	17	9.2 Å²	9.2	18%	0.175	6%	0.058	C	C	.	.	H	α-helix	trans	-69.4	-45.7	177.2	0	0	0	0	0	112.3	L311 I312 T319	L311-G315 PolarHBondContact O-N 3.27Å; I312-G315 PolarHBondContact O-N 2.79Å; G315-T319 WeakPolarHBondContact O-CB 3.42Å; G315-T319 PolarHBondContact O-N 3.3Å; G315-T319 PolarHBondContact O-OG1 3.2Å
316	T	95.7	Very high	97.3	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.006	6%	0.058	C	C	.	.	H	α-helix	trans	-66.8	-57.8	-175.2	-57.5	0	0	0	0	112.3	T188 S192 I215 I312 T318 T320	T188-T316 HydrophobicContact CG2-CG2 3.81Å; S192-T316 WeakPolarHBondContact OG-CG2 3.22Å; S192-T316 PolarHBondContact OG-OG1 3.33Å; S192-T316 VanDerWaalsContact OG-OG1 3.12Å; I215-T316 HydrophobicContact CD1-CG2 4.43Å; I215-T316 HydrophobicContact CG2-CG2 3.86Å; I312-T316 WeakPolarHBondContact O-CB 3.4Å; I312-T316 PolarHBondContact O-N 2.82Å; I312-T316 PolarHBondContact O-OG1 3.34Å; T316-T318 PolarHBondContact O-N 3.17Å; T316-T320 WeakPolarHBondContact O-CB 3.27Å; T316-T320 PolarHBondContact O-N 3.39Å; T316-T320 VanDerWaalsContact O-N 3.1Å; T316-T320 PolarHBondContact O-OG1 3.15Å
317	E	94.8	Very high	97.4	Very high	11 Å²	11	8.2 Å²	8.2	5%	0.051	5%	0.054	C	C	.	.	H	α-helix	trans	-66	-41.1	-170.3	-173.1	64.3	-149	0	0	111.2	S219 V222 I313 N321 T494	S219-E317 VanDerWaalsContact CB-OE2 3.26Å; S219-E317 WeakPolarHBondContact CB-OE2 3.1Å; S219-E317 PolarHBondContact OG-OE2 2.59Å; V222-E317 HydrophobicContact CG1-CG 4.39Å; I313-E317 HydrophobicContact CD1-CB 4.17Å; I313-E317 HydrophobicContact CG1-CB 4.49Å; I313-E317 WeakPolarHBondContact O-CB 3.31Å; I313-E317 PolarHBondContact O-N 3.07Å; E317-N321 WeakPolarHBondContact O-CB 3.38Å; E317-N321 PolarHBondContact O-N 3.15Å; E317-N321 VanDerWaalsContact O-N 3.14Å; E317-N321 PolarHBondContact O-ND2 3.03Å; E317-N321 PolarHBondContact OE1-ND2 3.41Å; E317-T494 HydrophobicContact CG-CG2 3.99Å; E317-T494 PolarHBondContact OE1-OG1 3.08Å
318	T	97.8	Very high	97.4	Very high	38 Å²	38	8.2 Å²	8.2	23%	0.233	5%	0.054	C	C	.	.	H	α-helix	trans	-75.6	-49.6	-173.3	63.1	0	0	0	0	112.9	A314 T316 N321 T322 I380 V381 T494	A314-T318 WeakPolarHBondContact O-CB 3.46Å; A314-T318 WeakPolarHBondContact O-CG2 3.29Å; A314-T318 PolarHBondContact O-OG1 3.37Å; T316-T318 PolarHBondContact O-N 3.17Å; T318-N321 PolarHBondContact O-N 3.32Å; T318-T322 PolarHBondContact O-N 2.78Å; T318-T322 PolarHBondContact O-OG1 3.44Å; T318-I380 HydrophobicContact CG2-CG2 4.39Å; T318-V381 HydrophobicContact CG2-CG2 4.03Å; T318-T494 HydrophobicContact CG2-CG2 4.33Å
319	T	98.3	Very high	97.4	Very high	3 Å²	3	8.8 Å²	8.8	2%	0.018	6%	0.056	C	C	.	.	H	α-helix	trans	-69	-38.8	-179.8	-55.7	0	0	0	0	110.8	V191 G315 N321 T322 L323 E463 M464	V191-T319 HydrophobicContact CG1-CG2 3.92Å; V191-T319 HydrophobicContact CG2-CG2 3.99Å; G315-T319 WeakPolarHBondContact O-CB 3.42Å; G315-T319 PolarHBondContact O-N 3.3Å; G315-T319 PolarHBondContact O-OG1 3.2Å; T319-N321 PolarHBondContact O-N 3.13Å; T319-T322 PolarHBondContact O-N 2.96Å; T319-L323 HydrophobicContact CG2-CD1 4.32Å; T319-L323 PolarHBondContact O-N 2.89Å; T319-E463 HydrophobicContact CG2-CB 3.91Å; T319-M464 HydrophobicContact CG2-CG 4.27Å
320	T	98.2	Very high	97.4	Very high	3 Å²	3	8.7 Å²	8.7	2%	0.018	6%	0.055	C	C	.	.	H	α-helix	trans	-56	-52.1	172.5	-66.1	0	0	0	0	111	V187 T188 T316 T322 L323 R324	V187-T320 HydrophobicContact CB-CG2 4.48Å; V187-T320 HydrophobicContact CG1-CG2 4.06Å; T188-T320 WeakPolarHBondContact CA-OG1 3.38Å; T188-T320 VanDerWaalsContact OG1-CG2 3.25Å; T188-T320 WeakPolarHBondContact OG1-CG2 3.3Å; T316-T320 WeakPolarHBondContact O-CB 3.27Å; T316-T320 PolarHBondContact O-N 3.39Å; T316-T320 VanDerWaalsContact O-N 3.1Å; T316-T320 PolarHBondContact O-OG1 3.15Å; T320-T322 VanDerWaalsContact C-N 3.27Å; T320-T322 PolarHBondContact O-N 2.83Å; T320-L323 PolarHBondContact O-N 3.45Å; T320-R324 HydrophobicContact CG2-CG 4.19Å; T320-R324 WeakPolarHBondContact O-CB 3.36Å; T320-R324 VanDerWaalsContact O-CG 3.25Å; T320-R324 WeakPolarHBondContact O-CG 3.41Å; T320-R324 PolarHBondContact O-N 3.37Å
321	N	98.3	Very high	97.4	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-66	-33.3	-177.9	-72.8	-34.3	0	0	0	111.8	E317 T318 T319 R324 W325 I380 Q496	E317-N321 WeakPolarHBondContact O-CB 3.38Å; E317-N321 PolarHBondContact O-N 3.15Å; E317-N321 VanDerWaalsContact O-N 3.14Å; E317-N321 PolarHBondContact O-ND2 3.03Å; E317-N321 PolarHBondContact OE1-ND2 3.41Å; T318-N321 PolarHBondContact O-N 3.32Å; T319-N321 PolarHBondContact O-N 3.13Å; N321-R324 PolarHBondContact O-N 3.43Å; N321-R324 PolarHBondContact OD1-NH1 3.34Å; N321-R324 VanDerWaalsContact OD1-NH1 3.13Å; N321-W325 WeakPolarHBondContact O-CB 3.19Å; N321-W325 PolarHBondContact O-N 2.83Å; N321-I380 HydrophobicContact CB-CG1 4.44Å; N321-I380 HydrophobicContact CB-CG2 4.18Å; N321-Q496 HydrophobicContact CB-CB 4.36Å; N321-Q496 VanDerWaalsContact CG-CB 3.43Å; N321-Q496 WeakPolarHBondContact OD1-CB 3.31Å
322	T	98.7	Very high	97.2	Very high	6 Å²	6	10.6 Å²	10.6	4%	0.037	7%	0.067	C	C	.	.	H	α-helix	trans	-62.9	-49.3	173.3	-53.3	0	0	0	0	111.6	T318 T319 T320 R324 W325 A326 I374 L375 I380 M464	T318-T322 PolarHBondContact O-N 2.78Å; T318-T322 PolarHBondContact O-OG1 3.44Å; T319-T322 PolarHBondContact O-N 2.96Å; T320-T322 VanDerWaalsContact C-N 3.27Å; T320-T322 PolarHBondContact O-N 2.83Å; T322-R324 PolarHBondContact O-N 2.91Å; T322-W325 PolarHBondContact O-N 3.35Å; T322-A326 WeakPolarHBondContact O-CB 3.38Å; T322-A326 PolarHBondContact O-N 2.76Å; T322-I374 HydrophobicContact CG2-CG2 4.03Å; T322-L375 HydrophobicContact CG2-CD2 3.75Å; T322-L375 HydrophobicContact CG2-CG 4.25Å; T322-I380 HydrophobicContact CG2-CD1 4.41Å; T322-I380 WeakPolarHBondContact OG1-CG1 3.48Å; T322-M464 HydrophobicContact CG2-CG 4.14Å; T322-M464 HydrophobicContact CG2-SD 3.46Å; T322-M464 WeakPolarHBondContact CG2-SD 3.26Å
323	L	98.7	Very high	97.2	Very high	2 Å²	2	15 Å²	15	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-65.2	-37.7	177.5	-71.9	173.1	0	0	0	112	V187 V191 T319 T320 A326 M327 F467 F468	V187-L323 HydrophobicContact CG1-CB 3.82Å; V187-L323 HydrophobicContact CG1-CD1 4.01Å; V191-L323 HydrophobicContact CG2-CD1 3.75Å; T319-L323 HydrophobicContact CG2-CD1 4.32Å; T319-L323 PolarHBondContact O-N 2.89Å; T320-L323 PolarHBondContact O-N 3.45Å; L323-A326 WeakPolarHBondContact O-CB 3.27Å; L323-A326 PolarHBondContact O-N 2.81Å; L323-M327 VanDerWaalsContact O-CG 3.28Å; L323-M327 WeakPolarHBondContact O-CG 3.13Å; L323-M327 PolarHBondContact O-N 3.2Å; L323-F467 HydrophobicContact CD1-CB 3.73Å; L323-F467 HydrophobicContact CD1-CD2 3.95Å; L323-F467 HydrophobicContact CD1-CG 3.96Å; L323-F467 HydrophobicContact CD2-CB 3.9Å; L323-F468 HydrophobicContact CD2-CB 4.35Å
324	R	98.4	Very high	97.1	Very high	1 Å²	1	17.6 Å²	17.6	0%	0.004	10%	0.102	C	C	.	.	H	α-helix	trans	-64.9	-39.2	174.3	-71.3	174.5	68	-145.3	-4.2	112	T320 N321 T322 L328 P497 Y500	T320-R324 HydrophobicContact CG2-CG 4.19Å; T320-R324 WeakPolarHBondContact O-CB 3.36Å; T320-R324 VanDerWaalsContact O-CG 3.25Å; T320-R324 WeakPolarHBondContact O-CG 3.41Å; T320-R324 PolarHBondContact O-N 3.37Å; N321-R324 PolarHBondContact O-N 3.43Å; N321-R324 PolarHBondContact OD1-NH1 3.34Å; N321-R324 VanDerWaalsContact OD1-NH1 3.13Å; T322-R324 PolarHBondContact O-N 2.91Å; R324-L328 WeakPolarHBondContact O-CB 3.42Å; R324-L328 PolarHBondContact O-N 2.82Å; R324-L328 VanDerWaalsContact O-N 3.13Å; R324-P497 HydrophobicContact CB-CG 3.75Å; R324-P497 PolarHBondContact NH2-O 3.46Å; R324-Y500 PolarHBondContact O-OH 3.34Å
325	W	98.6	Very high	97	Very high	5 Å²	5	22.6 Å²	22.6	2%	0.019	12%	0.123	C	C	.	.	H	α-helix	trans	-65.5	-42.7	170.9	-79.4	122.3	0	0	0	111	N321 T322 M327 L328 Y329 I374 C378 V487 P489 L495 P497	N321-W325 WeakPolarHBondContact O-CB 3.19Å; N321-W325 PolarHBondContact O-N 2.83Å; T322-W325 PolarHBondContact O-N 3.35Å; W325-M327 PolarHBondContact O-N 2.98Å; W325-L328 HydrophobicContact CE3-CD1 4.28Å; W325-L328 HydrophobicContact CE3-CD2 4.36Å; W325-L328 HydrophobicContact CZ3-CD1 4.09Å; W325-L328 HydrophobicContact CZ3-CD2 4.31Å; W325-L328 PolarHBondContact O-N 3.39Å; W325-Y329 HydrophobicContact CD2-CE2 4.48Å; W325-Y329 HydrophobicContact CE3-CD2 4.02Å; W325-Y329 AromaticContact CE3-CE2 3.55Å; W325-Y329 HydrophobicContact CE3-CE2 3.55Å; W325-Y329 AromaticContact CZ3-CE2 3.92Å; W325-Y329 HydrophobicContact CZ3-CE2 3.92Å; W325-Y329 WeakPolarHBondContact O-CD2 3.06Å; W325-Y329 PolarHBondContact O-N 3.26Å; W325-I374 HydrophobicContact CB-CG2 4Å; W325-C378 HydrophobicContact CB-CB 4.16Å; W325-C378 HydrophobicContact CD2-CB 4.01Å; W325-C378 HydrophobicContact CG-CB 3.72Å; W325-V487 WeakPolarHBondContact CH2-O 3.41Å; W325-P489 HydrophobicContact CZ2-CB 4.04Å; W325-L495 PolarHBondContact NE1-O 2.8Å; W325-P497 HydrophobicContact CD2-CB 4.12Å; W325-P497 HydrophobicContact CD2-CG 4.17Å; W325-P497 HydrophobicContact CE3-CB 3.98Å; W325-P497 HydrophobicContact CE3-CG 4.43Å; W325-P497 HydrophobicContact CH2-CB 3.9Å; W325-P497 HydrophobicContact CZ2-CB 3.99Å; W325-P497 HydrophobicContact CZ3-CB 3.9Å
326	A	98.6	Very high	97.1	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.008	12%	0.119	C	C	.	.	H	α-helix	trans	-55.9	-51.9	176.7	0	0	0	0	0	111.8	T322 L323 L328 Y329 M330 I374 F468	T322-A326 WeakPolarHBondContact O-CB 3.38Å; T322-A326 PolarHBondContact O-N 2.76Å; L323-A326 WeakPolarHBondContact O-CB 3.27Å; L323-A326 PolarHBondContact O-N 2.81Å; A326-L328 VanDerWaalsContact C-N 3.32Å; A326-L328 PolarHBondContact O-N 3.4Å; A326-Y329 PolarHBondContact O-N 3.32Å; A326-M330 WeakPolarHBondContact O-CB 3.28Å; A326-M330 WeakPolarHBondContact O-CG 3.24Å; A326-M330 PolarHBondContact O-N 3.01Å; A326-I374 HydrophobicContact CB-CD1 3.48Å; A326-I374 VanDerWaalsContact CB-CD1 3.48Å; A326-F468 HydrophobicContact CB-CD2 3.75Å; A326-F468 HydrophobicContact CB-CE2 3.84Å
327	M	98.3	Very high	97.1	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.02	12%	0.119	C	C	.	.	H	α-helix	trans	-59.3	-41.5	177.5	-66.9	176.5	95.2	0	0	112.2	P183 V187 L323 W325 A331 L471 L477 I502	P183-M327 HydrophobicContact CB-CE 4.06Å; P183-M327 HydrophobicContact CB-SD 3.82Å; P183-M327 HydrophobicContact CG-SD 4.3Å; V187-M327 HydrophobicContact CG2-SD 3.95Å; L323-M327 VanDerWaalsContact O-CG 3.28Å; L323-M327 WeakPolarHBondContact O-CG 3.13Å; L323-M327 PolarHBondContact O-N 3.2Å; W325-M327 PolarHBondContact O-N 2.98Å; M327-A331 WeakPolarHBondContact O-CB 3.33Å; M327-A331 PolarHBondContact O-N 2.76Å; M327-L471 HydrophobicContact CE-CD1 4.42Å; M327-L471 HydrophobicContact SD-CD1 4.47Å; M327-L477 HydrophobicContact CB-CD1 4.02Å; M327-L477 HydrophobicContact CE-CD1 4.26Å; M327-L477 HydrophobicContact CE-CD2 4.37Å; M327-L477 HydrophobicContact CG-CD1 3.93Å; M327-I502 HydrophobicContact CB-CD1 4.27Å; M327-I502 HydrophobicContact CE-CD1 3.33Å; M327-I502 HydrophobicContact SD-CD1 4.22Å
328	L	98	Very high	96.6	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-63	-49.9	177.5	-174.3	154.4	0	0	0	111.4	R324 W325 A326 M330 A331 L332 F479 V487 P497 Y500	R324-L328 WeakPolarHBondContact O-CB 3.42Å; R324-L328 PolarHBondContact O-N 2.82Å; R324-L328 VanDerWaalsContact O-N 3.13Å; W325-L328 HydrophobicContact CE3-CD1 4.28Å; W325-L328 HydrophobicContact CE3-CD2 4.36Å; W325-L328 HydrophobicContact CZ3-CD1 4.09Å; W325-L328 HydrophobicContact CZ3-CD2 4.31Å; W325-L328 PolarHBondContact O-N 3.39Å; A326-L328 VanDerWaalsContact C-N 3.32Å; A326-L328 PolarHBondContact O-N 3.4Å; L328-M330 VanDerWaalsContact C-N 3.35Å; L328-M330 PolarHBondContact O-N 2.92Å; L328-A331 PolarHBondContact O-N 3.35Å; L328-L332 HydrophobicContact CD2-CD2 4.45Å; L328-L332 VanDerWaalsContact O-CB 3.3Å; L328-L332 WeakPolarHBondContact O-CB 3.3Å; L328-L332 PolarHBondContact O-N 3Å; L328-F479 HydrophobicContact CG-CZ 4.19Å; L328-V487 HydrophobicContact CD2-CG1 3.98Å; L328-P497 HydrophobicContact CD1-CB 3.9Å; L328-Y500 HydrophobicContact CB-CE1 3.99Å; L328-Y500 HydrophobicContact CB-CE2 4.49Å; L328-Y500 HydrophobicContact CD1-CD1 3.71Å; L328-Y500 HydrophobicContact CD1-CE1 3.82Å; L328-Y500 HydrophobicContact CD1-CG 4.28Å; L328-Y500 HydrophobicContact CG-CE1 4.42Å
329	Y	97.7	Very high	94.9	Very high	12 Å²	12	28.4 Å²	28.4	5%	0.047	15%	0.145	C	C	.	.	H	α-helix	trans	-69.5	-32.7	-178.3	-86.1	-103.1	0	0	0	112.2	W325 A326 L332 Y333 F377 C378 F426	W325-Y329 HydrophobicContact CD2-CE2 4.48Å; W325-Y329 HydrophobicContact CE3-CD2 4.02Å; W325-Y329 AromaticContact CE3-CE2 3.55Å; W325-Y329 HydrophobicContact CE3-CE2 3.55Å; W325-Y329 AromaticContact CZ3-CE2 3.92Å; W325-Y329 HydrophobicContact CZ3-CE2 3.92Å; W325-Y329 WeakPolarHBondContact O-CD2 3.06Å; W325-Y329 PolarHBondContact O-N 3.26Å; A326-Y329 PolarHBondContact O-N 3.32Å; Y329-L332 PolarHBondContact O-N 2.79Å; Y329-Y333 AromaticContact CD1-CD2 3.92Å; Y329-Y333 HydrophobicContact CD1-CD2 3.92Å; Y329-Y333 AromaticContact CD1-CE2 3.56Å; Y329-Y333 HydrophobicContact CD1-CE2 3.56Å; Y329-Y333 AromaticContact CE1-CE2 3.92Å; Y329-Y333 HydrophobicContact CE1-CE2 3.92Å; Y329-Y333 WeakPolarHBondContact O-CB 3.37Å; Y329-Y333 WeakPolarHBondContact O-CD2 3.43Å; Y329-Y333 PolarHBondContact O-N 3.28Å; Y329-F377 AromaticContact CE1-CD1 3.8Å; Y329-F377 HydrophobicContact CE1-CD1 3.8Å; Y329-F377 AromaticContact CE1-CE1 3.87Å; Y329-F377 HydrophobicContact CE1-CE1 3.87Å; Y329-F377 AromaticContact CZ-CD1 3.75Å; Y329-F377 AromaticContact CZ-CE1 3.87Å; Y329-F377 VanDerWaalsContact OH-CD1 3.3Å; Y329-F377 WeakPolarHBondContact OH-CD1 3.44Å; Y329-F377 WeakPolarHBondContact OH-CE1 3.38Å; Y329-C378 VanDerWaalsContact CE2-SG 3.56Å; Y329-F426 HydrophobicContact CD1-CB 4.38Å; Y329-F426 AromaticContact CD1-CD1 3.89Å; Y329-F426 HydrophobicContact CD1-CD1 3.89Å; Y329-F426 AromaticContact CD1-CD2 3.56Å; Y329-F426 HydrophobicContact CD1-CD2 3.56Å; Y329-F426 HydrophobicContact CD1-CE1 4.02Å; Y329-F426 AromaticContact CD1-CE2 3.71Å; Y329-F426 HydrophobicContact CD1-CE2 3.71Å; Y329-F426 AromaticContact CD1-CG 3.66Å; Y329-F426 HydrophobicContact CD1-CG 3.66Å; Y329-F426 AromaticContact CD1-CZ 3.94Å; Y329-F426 HydrophobicContact CD1-CZ 3.94Å; Y329-F426 HydrophobicContact CE1-CB 4.05Å; Y329-F426 HydrophobicContact CE1-CD1 4.41Å; Y329-F426 AromaticContact CE1-CD2 3.64Å; Y329-F426 HydrophobicContact CE1-CD2 3.64Å; Y329-F426 HydrophobicContact CE1-CE2 4.19Å; Y329-F426 AromaticContact CE1-CG 3.77Å; Y329-F426 HydrophobicContact CE1-CG 3.77Å; Y329-F426 HydrophobicContact CG-CD2 4.5Å; Y329-F426 HydrophobicContact CG-CE2 4.26Å; Y329-F426 HydrophobicContact CG-CZ 4.38Å
330	M	97.8	Very high	93.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.5	-42.7	172.8	-70.9	-54.2	96.7	0	0	111.7	A326 L328 L332 Y333 I336 Q337 V342 V370 F468 L472	A326-M330 WeakPolarHBondContact O-CB 3.28Å; A326-M330 WeakPolarHBondContact O-CG 3.24Å; A326-M330 PolarHBondContact O-N 3.01Å; L328-M330 VanDerWaalsContact C-N 3.35Å; L328-M330 PolarHBondContact O-N 2.92Å; M330-L332 VanDerWaalsContact C-N 3.33Å; M330-Y333 CarbonylContact O-C 3.48Å; M330-I336 HydrophobicContact CE-CG2 3.75Å; M330-I336 HydrophobicContact SD-CG2 4.29Å; M330-Q337 VanDerWaalsContact C-NE2 3.27Å; M330-Q337 HydrophobicContact CB-CB 4.25Å; M330-Q337 HydrophobicContact CB-CG 3.94Å; M330-Q337 HydrophobicContact CG-CG 4.41Å; M330-Q337 PolarHBondContact O-NE2 3.38Å; M330-Q337 HydrophobicContact SD-CB 4.09Å; M330-Q337 HydrophobicContact SD-CG 4.26Å; M330-V342 HydrophobicContact SD-CG2 4.4Å; M330-V370 HydrophobicContact CE-CG1 3.55Å; M330-V370 HydrophobicContact SD-CG1 4.26Å; M330-F468 HydrophobicContact CG-CE2 3.67Å; M330-F468 HydrophobicContact CG-CZ 3.93Å; M330-F468 HydrophobicContact SD-CE2 4.15Å; M330-F468 HydrophobicContact SD-CZ 3.78Å; M330-L472 HydrophobicContact CB-CD2 4.49Å; M330-L472 HydrophobicContact CG-CD1 3.97Å; M330-L472 HydrophobicContact CG-CD2 4.41Å; M330-L472 HydrophobicContact SD-CD1 4.11Å
331	A	96	Very high	92.8	Very high	7 Å²	7	39.4 Å²	39.4	6%	0.058	19%	0.191	C	C	.	.	H	α-helix	trans	-67.9	-32.6	174.3	0	0	0	0	0	112.6	M327 L328 F479 I502	M327-A331 WeakPolarHBondContact O-CB 3.33Å; M327-A331 PolarHBondContact O-N 2.76Å; L328-A331 PolarHBondContact O-N 3.35Å; A331-F479 HydrophobicContact CB-CD1 4.46Å; A331-F479 HydrophobicContact CB-CD2 3.96Å; A331-F479 HydrophobicContact CB-CE1 4.16Å; A331-F479 HydrophobicContact CB-CE2 3.62Å; A331-F479 HydrophobicContact CB-CG 4.35Å; A331-F479 HydrophobicContact CB-CZ 3.72Å; A331-I502 HydrophobicContact CB-CG2 4.27Å
332	L	95.4	Very high	92.8	Very high	56 Å²	56	39.4 Å²	39.4	29%	0.293	19%	0.191	S	C	.	.	H	α-helix	trans	-75	-33	179.2	-174	62.7	0	0	0	113.1	L328 Y329 M330 P334 F479 P485 V487	L328-L332 HydrophobicContact CD2-CD2 4.45Å; L328-L332 VanDerWaalsContact O-CB 3.3Å; L328-L332 WeakPolarHBondContact O-CB 3.3Å; L328-L332 PolarHBondContact O-N 3Å; Y329-L332 PolarHBondContact O-N 2.79Å; M330-L332 VanDerWaalsContact C-N 3.33Å; L332-P334 VanDerWaalsContact C-CD 3.41Å; L332-P334 VanDerWaalsContact O-CD 3.27Å; L332-P334 WeakPolarHBondContact O-CD 3.13Å; L332-F479 HydrophobicContact CB-CE2 4.03Å; L332-F479 HydrophobicContact CD1-CE2 4.37Å; L332-P485 HydrophobicContact CD1-CG 4.02Å; L332-V487 HydrophobicContact CD2-CG1 3.81Å
333	Y	95.5	Very high	92.6	Very high	93 Å²	93	39.3 Å²	39.3	37%	0.365	19%	0.191	S	C	.	.			trans	-119.1	76.2	179.6	-60.6	-68.8	0	0	0	111.6	Y329 M330 N335 I336 Q337 F426	Y329-Y333 AromaticContact CD1-CD2 3.92Å; Y329-Y333 HydrophobicContact CD1-CD2 3.92Å; Y329-Y333 AromaticContact CD1-CE2 3.56Å; Y329-Y333 HydrophobicContact CD1-CE2 3.56Å; Y329-Y333 AromaticContact CE1-CE2 3.92Å; Y329-Y333 HydrophobicContact CE1-CE2 3.92Å; Y329-Y333 WeakPolarHBondContact O-CB 3.37Å; Y329-Y333 WeakPolarHBondContact O-CD2 3.43Å; Y329-Y333 PolarHBondContact O-N 3.28Å; M330-Y333 CarbonylContact O-C 3.48Å; Y333-N335 PolarHBondContact O-N 3.35Å; Y333-I336 HydrophobicContact CD2-CD1 4.39Å; Y333-I336 HydrophobicContact CG-CD1 4.09Å; Y333-I336 PolarHBondContact O-N 2.95Å; Y333-Q337 PolarHBondContact O-N 3.47Å; Y333-Q337 VanDerWaalsContact O-N 3.09Å; Y333-F426 HydrophobicContact CD2-CD1 4.03Å; Y333-F426 HydrophobicContact CD2-CE1 4.35Å; Y333-F426 HydrophobicContact CE2-CB 4.45Å; Y333-F426 AromaticContact CE2-CD1 3.99Å; Y333-F426 HydrophobicContact CE2-CD1 3.99Å; Y333-F426 HydrophobicContact CE2-CG 4.39Å
334	P	93.1	Very high	92.4	Very high	69 Å²	69	45.6 Å²	45.6	45%	0.448	21%	0.214	S	C	.	.	H	α-helix	trans	-55.1	-27	176.3	-26.6	34.5	0	0	0	113.9	L332 I336 G338	L332-P334 VanDerWaalsContact C-CD 3.41Å; L332-P334 VanDerWaalsContact O-CD 3.27Å; L332-P334 WeakPolarHBondContact O-CD 3.13Å; P334-I336 VanDerWaalsContact C-N 3.34Å; P334-G338 WeakPolarHBondContact O-CA 3.31Å; P334-G338 PolarHBondContact O-N 3.48Å
335	N	94.1	Very high	92.3	Very high	143 Å²	143	46.8 Å²	46.8	77%	0.765	22%	0.22	S	C	*	.	H	α-helix	trans	-68.3	-32.2	175.8	-64.9	-14.5	0	0	0	112.8	Y333	Y333-N335 PolarHBondContact O-N 3.35Å
336	I	96.8	Very high	92.1	Very high	19 Å²	19	46.6 Å²	46.6	10%	0.097	22%	0.219	C	C	.	.	H	α-helix	trans	-79	-43.3	175.7	-63.4	178	0	0	0	109.7	M330 Y333 P334 R341 V342 Y366 V370 F426 P428	M330-I336 HydrophobicContact CE-CG2 3.75Å; M330-I336 HydrophobicContact SD-CG2 4.29Å; Y333-I336 HydrophobicContact CD2-CD1 4.39Å; Y333-I336 HydrophobicContact CG-CD1 4.09Å; Y333-I336 PolarHBondContact O-N 2.95Å; P334-I336 VanDerWaalsContact C-N 3.34Å; I336-R341 VanDerWaalsContact O-CB 3.31Å; I336-R341 WeakPolarHBondContact O-CB 3.41Å; I336-V342 HydrophobicContact CG2-CG2 4.45Å; I336-V342 VanDerWaalsContact O-CG2 3.31Å; I336-V342 WeakPolarHBondContact O-CG2 3.37Å; I336-V342 PolarHBondContact O-N 2.96Å; I336-V342 VanDerWaalsContact O-N 3.16Å; I336-Y366 HydrophobicContact CG2-CE1 4.07Å; I336-V370 HydrophobicContact CG2-CG2 3.85Å; I336-F426 HydrophobicContact CD1-CD1 3.88Å; I336-F426 HydrophobicContact CD1-CE1 3.68Å; I336-P428 HydrophobicContact CD1-CG 4.14Å; I336-P428 HydrophobicContact CG2-CG 4.2Å
337	Q	96.1	Very high	91.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.2	-38.2	178.9	-164.2	-163.7	149	0	0	112.4	M330 Y333 H343 L472 H476 L477	M330-Q337 VanDerWaalsContact C-NE2 3.27Å; M330-Q337 HydrophobicContact CB-CB 4.25Å; M330-Q337 HydrophobicContact CB-CG 3.94Å; M330-Q337 HydrophobicContact CG-CG 4.41Å; M330-Q337 PolarHBondContact O-NE2 3.38Å; M330-Q337 HydrophobicContact SD-CB 4.09Å; M330-Q337 HydrophobicContact SD-CG 4.26Å; Y333-Q337 PolarHBondContact O-N 3.47Å; Y333-Q337 VanDerWaalsContact O-N 3.09Å; Q337-H343 PolarHBondContact O-CD2 2.95Å; Q337-H343 VanDerWaalsContact O-CD2 3.3Å; Q337-H343 PolarHBondContact O-N 3.05Å; Q337-H343 VanDerWaalsContact O-N 3.12Å; Q337-H343 PolarHBondContact O-ND1 3.46Å; Q337-H343 PolarHBondContact OE1-CE1 3.18Å; Q337-L472 HydrophobicContact CG-CD2 3.98Å; Q337-H476 PolarHBondContact OE1-ND1 3.02Å; Q337-L477 PolarHBondContact NE2-O 3.49Å
338	G	85	Confident	91.7	Very high	13 Å²	13	51.4 Å²	51.4	13%	0.134	25%	0.251	C	S	.	.	S	Bend	trans	-69.4	-174.6	-156.9	0	0	0	0	0	116	P334 E340 R341	P334-G338 WeakPolarHBondContact O-CA 3.31Å; P334-G338 PolarHBondContact O-N 3.48Å; G338-E340 PolarHBondContact O-N 3.26Å; G338-R341 PolarHBondContact O-N 2.95Å
339	K	60.6	Low	91.5	Very high	158 Å²	158	52.1 Å²	52.1	69%	0.687	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-6.8	-173.2	-69.8	-171.7	178.4	-176	0	115.2	R344	K339-R344 WeakPolarHBondContact O-CB 3.32Å; K339-R344 PolarHBondContact O-NE 3.16Å
340	E	64.1	Low	91.3	Very high	137 Å²	137	51.8 Å²	51.8	64%	0.64	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-13.9	-179.8	-53	-158.8	145	0	0	114.6	G338 R344	G338-E340 PolarHBondContact O-N 3.26Å; E340-R344 PolarHBondContact O-NH1 2.94Å; E340-R344 VanDerWaalsContact O-NH1 3.14Å; E340-R344 IonicContact OE1-NH2 3.86Å
341	R	90.1	Very high	90.7	Very high	100 Å²	100	54.9 Å²	54.9	38%	0.377	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.3	-102.2	-171.1	-62.8	-151	-178.4	-143.5	11.7	112.1	I336 G338 H343 R344 E345 Y366 E429	I336-R341 VanDerWaalsContact O-CB 3.31Å; I336-R341 WeakPolarHBondContact O-CB 3.41Å; G338-R341 PolarHBondContact O-N 2.95Å; R341-H343 PolarHBondContact O-N 3.43Å; R341-R344 WeakPolarHBondContact O-CB 3.41Å; R341-R344 PolarHBondContact O-N 3.02Å; R341-R344 VanDerWaalsContact O-N 3.11Å; R341-E345 PolarHBondContact O-N 3.19Å; R341-Y366 HydrophobicContact CB-CD1 4.09Å; R341-Y366 HydrophobicContact CB-CE1 3.63Å; R341-Y366 WeakPolarHBondContact CD-OH 3.29Å; R341-Y366 HydrophobicContact CG-CE1 4.37Å; R341-Y366 VanDerWaalsContact NH1-CE2 3.34Å; R341-Y366 PolarHBondContact NH1-OH 3.49Å; R341-E429 IonicContact CZ-OE1 3.32Å; R341-E429 VanDerWaalsContact CZ-OE1 3.32Å; R341-E429 IonicContact NH1-OE1 2.66Å; R341-E429 PolarHBondContact NH1-OE1 2.88Å; R341-E429 IonicContact NH2-OE1 3.48Å; R341-E429 PolarHBondContact NH2-OE1 3.32Å
342	V	96.7	Very high	90	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-58.3	-49.7	-175	172.7	0	0	0	0	112	M330 I336 R344 E345 I346 Y366 V367 V370 F468 L472	M330-V342 HydrophobicContact SD-CG2 4.4Å; I336-V342 HydrophobicContact CG2-CG2 4.45Å; I336-V342 VanDerWaalsContact O-CG2 3.31Å; I336-V342 WeakPolarHBondContact O-CG2 3.37Å; I336-V342 PolarHBondContact O-N 2.96Å; I336-V342 VanDerWaalsContact O-N 3.16Å; V342-R344 VanDerWaalsContact C-N 3.31Å; V342-R344 PolarHBondContact O-N 3.07Å; V342-E345 PolarHBondContact O-N 3.04Å; V342-I346 HydrophobicContact CG1-CD1 3.66Å; V342-I346 HydrophobicContact CG1-CG1 4.39Å; V342-I346 WeakPolarHBondContact O-CB 3.22Å; V342-I346 VanDerWaalsContact O-CG1 3.27Å; V342-I346 WeakPolarHBondContact O-CG1 3.43Å; V342-I346 PolarHBondContact O-N 3.47Å; V342-Y366 HydrophobicContact CG2-CD1 3.79Å; V342-Y366 HydrophobicContact CG2-CE1 3.84Å; V342-V367 HydrophobicContact CG1-CG2 4.05Å; V342-V370 HydrophobicContact CG2-CG2 3.93Å; V342-F468 HydrophobicContact CG1-CE1 4.09Å; V342-F468 HydrophobicContact CG1-CZ 4.46Å; V342-L472 HydrophobicContact CB-CD1 4.44Å; V342-L472 HydrophobicContact CG1-CB 4.36Å; V342-L472 HydrophobicContact CG1-CD1 3.41Å; V342-L472 VanDerWaalsContact CG1-CD1 3.41Å
343	H	95.6	Very high	89.3	Confident	5 Å²	5	57.8 Å²	57.8	2%	0.023	29%	0.291	C	S	.	.	H	α-helix	trans	-61.8	-38	177.3	-71.7	168.3	0	0	0	112.9	Q337 R341 D347 L472 H476 R507	Q337-H343 PolarHBondContact O-CD2 2.95Å; Q337-H343 VanDerWaalsContact O-CD2 3.3Å; Q337-H343 PolarHBondContact O-N 3.05Å; Q337-H343 VanDerWaalsContact O-N 3.12Å; Q337-H343 PolarHBondContact O-ND1 3.46Å; Q337-H343 PolarHBondContact OE1-CE1 3.18Å; R341-H343 PolarHBondContact O-N 3.43Å; H343-D347 WeakPolarHBondContact O-CB 3.42Å; H343-D347 PolarHBondContact O-N 3.27Å; H343-L472 PolarHBondContact CD2-O 3.22Å; H343-L472 PolarHBondContact NE2-O 3.05Å; H343-H476 AromaticContact CE1-ND1 3.79Å; H343-R507 PolarHBondContact CD2-NH1 3.14Å
344	R	93.6	Very high	89.1	Confident	133 Å²	133	57 Å²	57	50%	0.502	29%	0.287	S	S	.	.	H	α-helix	trans	-63.5	-49	178.5	-170.3	-177.3	-77.7	168.2	-7.5	111.4	K339 E340 R341 V342 D347 S348	K339-R344 WeakPolarHBondContact O-CB 3.32Å; K339-R344 PolarHBondContact O-NE 3.16Å; E340-R344 PolarHBondContact O-NH1 2.94Å; E340-R344 VanDerWaalsContact O-NH1 3.14Å; E340-R344 IonicContact OE1-NH2 3.86Å; R341-R344 WeakPolarHBondContact O-CB 3.41Å; R341-R344 PolarHBondContact O-N 3.02Å; R341-R344 VanDerWaalsContact O-N 3.11Å; V342-R344 VanDerWaalsContact C-N 3.31Å; V342-R344 PolarHBondContact O-N 3.07Å; R344-D347 PolarHBondContact O-N 2.93Å; R344-S348 WeakPolarHBondContact O-CB 3.34Å; R344-S348 PolarHBondContact O-N 3.26Å; R344-S348 PolarHBondContact O-OG 3.44Å
345	E	95.9	Very high	89	Confident	27 Å²	27	57 Å²	57	13%	0.126	29%	0.287	C	S	.	.	H	α-helix	trans	-62.1	-46.2	-179.1	-170.4	178.7	-115.7	0	0	110.3	R341 V342 D347 S348 V349 M364 P365 Y366 V367	R341-E345 PolarHBondContact O-N 3.19Å; V342-E345 PolarHBondContact O-N 3.04Å; E345-D347 PolarHBondContact O-N 3.03Å; E345-S348 WeakPolarHBondContact CA-OG 3.14Å; E345-S348 PolarHBondContact O-N 3.21Å; E345-S348 PolarHBondContact O-OG 2.98Å; E345-V349 WeakPolarHBondContact O-CG2 3.46Å; E345-V349 PolarHBondContact O-N 3.43Å; E345-M364 HydrophobicContact CG-CB 4.25Å; E345-M364 HydrophobicContact CG-CG 4.29Å; E345-M364 WeakPolarHBondContact OE2-CA 3.48Å; E345-P365 WeakPolarHBondContact OE1-CD 3.41Å; E345-Y366 VanDerWaalsContact OE1-CB 3.22Å; E345-Y366 WeakPolarHBondContact OE1-CB 3.34Å; E345-Y366 PolarHBondContact OE1-N 3.35Å; E345-Y366 WeakPolarHBondContact OE2-CB 3.3Å; E345-Y366 PolarHBondContact OE2-N 3.19Å; E345-V367 VanDerWaalsContact OE2-CG2 3.32Å; E345-V367 WeakPolarHBondContact OE2-CG2 3.42Å; E345-V367 PolarHBondContact OE2-N 3.13Å
346	I	96.1	Very high	89	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57	-49.6	174.8	-70.4	172.8	0	0	0	111.3	V342 S348 V349 L350 M364 V367 L472 Q473	V342-I346 HydrophobicContact CG1-CD1 3.66Å; V342-I346 HydrophobicContact CG1-CG1 4.39Å; V342-I346 WeakPolarHBondContact O-CB 3.22Å; V342-I346 VanDerWaalsContact O-CG1 3.27Å; V342-I346 WeakPolarHBondContact O-CG1 3.43Å; V342-I346 PolarHBondContact O-N 3.47Å; I346-S348 VanDerWaalsContact C-N 3.3Å; I346-S348 PolarHBondContact O-N 3.01Å; I346-V349 PolarHBondContact O-N 3.09Å; I346-L350 HydrophobicContact CG2-CD1 3.95Å; I346-L350 HydrophobicContact CG2-CG 4.43Å; I346-L350 VanDerWaalsContact O-CB 3.28Å; I346-L350 WeakPolarHBondContact O-CB 3.2Å; I346-L350 WeakPolarHBondContact O-CG 3.32Å; I346-L350 PolarHBondContact O-N 2.91Å; I346-M364 HydrophobicContact CG1-CE 4.5Å; I346-V367 HydrophobicContact CD1-CG2 4.4Å; I346-V367 HydrophobicContact CG1-CG2 4.11Å; I346-L472 HydrophobicContact CD1-CB 3.84Å; I346-Q473 HydrophobicContact CG2-CB 3.77Å; I346-Q473 HydrophobicContact CG2-CG 3.91Å
347	D	93.6	Very high	88.9	Confident	29 Å²	29	50.5 Å²	50.5	16%	0.155	25%	0.254	C	S	.	.	H	α-helix	trans	-64.8	-35.6	-178.6	-67.5	-4.6	0	0	0	111.7	H343 R344 E345 R507	H343-D347 WeakPolarHBondContact O-CB 3.42Å; H343-D347 PolarHBondContact O-N 3.27Å; R344-D347 PolarHBondContact O-N 2.93Å; E345-D347 PolarHBondContact O-N 3.03Å; D347-R507 IonicContact OD1-CZ 3.63Å; D347-R507 IonicContact OD1-NH1 3.61Å; D347-R507 IonicContact OD1-NH2 2.78Å; D347-R507 PolarHBondContact OD1-NH2 2.79Å; D347-R507 IonicContact OD2-NH2 2.79Å; D347-R507 PolarHBondContact OD2-NH2 3.32Å
348	S	93.4	Very high	88.7	Confident	78 Å²	78	52.6 Å²	52.6	55%	0.545	27%	0.265	S	S	.	.	H	α-helix	trans	-70.3	-35.6	179.6	72.4	0	0	0	0	113.6	R344 E345 I346	R344-S348 WeakPolarHBondContact O-CB 3.34Å; R344-S348 PolarHBondContact O-N 3.26Å; R344-S348 PolarHBondContact O-OG 3.44Å; E345-S348 WeakPolarHBondContact CA-OG 3.14Å; E345-S348 PolarHBondContact O-N 3.21Å; E345-S348 PolarHBondContact O-OG 2.98Å; I346-S348 VanDerWaalsContact C-N 3.3Å; I346-S348 PolarHBondContact O-N 3.01Å
349	V	95.1	Very high	89.1	Confident	15 Å²	15	58.2 Å²	58.2	9%	0.091	29%	0.288	C	S	.	.	H	α-helix	trans	-90	-35.7	-178	176.9	0	0	0	0	111.7	E345 I346 T351 R354 D360 R363 M364	E345-V349 WeakPolarHBondContact O-CG2 3.46Å; E345-V349 PolarHBondContact O-N 3.43Å; I346-V349 PolarHBondContact O-N 3.09Å; V349-T351 VanDerWaalsContact C-N 3.35Å; V349-T351 PolarHBondContact O-N 2.99Å; V349-R354 PolarHBondContact O-NH2 3.46Å; V349-D360 HydrophobicContact CG1-CB 4.07Å; V349-R363 HydrophobicContact CG1-CB 3.96Å; V349-R363 HydrophobicContact CG2-CB 3.94Å; V349-R363 WeakPolarHBondContact CG2-O 3.1Å; V349-M364 HydrophobicContact CB-CE 3.65Å; V349-M364 HydrophobicContact CB-CG 4.24Å; V349-M364 HydrophobicContact CG1-CE 3.67Å; V349-M364 HydrophobicContact CG1-CG 4.25Å; V349-M364 HydrophobicContact CG2-CE 4.39Å; V349-M364 HydrophobicContact CG2-CG 3.99Å
350	L	93.5	Very high	90.7	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.026	26%	0.256	C	S	.	.	S	Bend	trans	-98.8	54	-179.1	-50.2	-173.3	0	0	0	111	I346 G353 R354 P356 D360 M364 Q473	I346-L350 HydrophobicContact CG2-CD1 3.95Å; I346-L350 HydrophobicContact CG2-CG 4.43Å; I346-L350 VanDerWaalsContact O-CB 3.28Å; I346-L350 WeakPolarHBondContact O-CB 3.2Å; I346-L350 WeakPolarHBondContact O-CG 3.32Å; I346-L350 PolarHBondContact O-N 2.91Å; L350-G353 PolarHBondContact O-N 3.35Å; L350-G353 VanDerWaalsContact O-N 3.13Å; L350-R354 HydrophobicContact CB-CG 4.4Å; L350-P356 HydrophobicContact CD1-CB 3.95Å; L350-P356 HydrophobicContact CD1-CG 3.65Å; L350-D360 HydrophobicContact CD2-CB 4.25Å; L350-D360 WeakPolarHBondContact CD2-OD2 3.46Å; L350-M364 HydrophobicContact CD1-CE 3.92Å; L350-M364 HydrophobicContact CD2-CE 3.64Å; L350-M364 HydrophobicContact CG-CE 3.51Å; L350-Q473 HydrophobicContact CD1-CG 4.4Å; L350-Q473 VanDerWaalsContact CD1-NE2 3.33Å
351	T	83.9	Confident	92.1	Very high	66 Å²	66	47 Å²	47	41%	0.405	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-51	140.7	177	57.8	0	0	0	0	110.9	V349 G353	V349-T351 VanDerWaalsContact C-N 3.35Å; V349-T351 PolarHBondContact O-N 2.99Å; T351-G353 PolarHBondContact O-N 3.17Å
352	N	81.4	Confident	92.3	Very high	113 Å²	113	49.1 Å²	49.1	60%	0.604	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	66	13.8	-178.8	-49.6	-33.6	0	0	0	115.3	R354	N352-R354 VanDerWaalsContact C-N 3.3Å; N352-R354 PolarHBondContact O-N 2.9Å
353	G	81.1	Confident	92.2	Very high	11 Å²	11	54.9 Å²	54.9	11%	0.113	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	76.4	16.8	172.1	0	0	0	0	0	115.1	L350 T351	L350-G353 PolarHBondContact O-N 3.35Å; L350-G353 VanDerWaalsContact O-N 3.13Å; T351-G353 PolarHBondContact O-N 3.17Å
354	R	91.6	Very high	92.3	Very high	75 Å²	75	54.6 Å²	54.6	28%	0.283	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-59.6	150.8	176.6	67.3	174.1	-179.2	82.5	0.6	111.2	V349 L350 N352 D360 R363 Q473	V349-R354 PolarHBondContact O-NH2 3.46Å; L350-R354 HydrophobicContact CB-CG 4.4Å; N352-R354 VanDerWaalsContact C-N 3.3Å; N352-R354 PolarHBondContact O-N 2.9Å; R354-D360 IonicContact CZ-OD1 3.44Å; R354-D360 IonicContact CZ-OD2 3.51Å; R354-D360 IonicContact NH1-OD1 3.31Å; R354-D360 PolarHBondContact NH1-OD1 3.37Å; R354-D360 IonicContact NH1-OD2 2.73Å; R354-D360 PolarHBondContact NH1-OD2 2.96Å; R354-D360 IonicContact NH2-OD1 2.69Å; R354-D360 PolarHBondContact NH2-OD1 3.38Å; R354-D360 IonicContact NH2-OD2 3.41Å; R354-D360 PolarHBondContact NH2-OD2 2.97Å; R354-R363 VanDerWaalsContact NH2-NH2 3.12Å; R354-Q473 PolarHBondContact O-NE2 2.78Å
355	P	91.7	Very high	92.5	Very high	69 Å²	69	49.5 Å²	49.5	45%	0.448	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-58.7	147.7	174.8	-23.4	34.1	0	0	0	112.3	T163	T163-P355 HydrophobicContact CG2-CB 3.99Å
356	P	94.2	Very high	92.6	Very high	4 Å²	4	49.1 Å²	49.1	3%	0.026	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-63.5	145.9	171.3	-14.5	27.3	0	0	0	111.4	L350 L466 T469 T470	L350-P356 HydrophobicContact CD1-CB 3.95Å; L350-P356 HydrophobicContact CD1-CG 3.65Å; P356-L466 HydrophobicContact CB-CD2 4.35Å; P356-T469 VanDerWaalsContact CB-OG1 3.29Å; P356-T469 WeakPolarHBondContact CB-OG1 3.31Å; P356-T469 WeakPolarHBondContact CG-OG1 3.45Å; P356-T470 WeakPolarHBondContact CG-OG1 3.47Å
357	S	93.9	Very high	92.7	Very high	22 Å²	22	49.1 Å²	49.1	15%	0.154	25%	0.253	C	S	.	.			trans	-124.7	161.7	169.6	73	0	0	0	0	111.2	E159 E359 D360 F465	E159-S357 WeakPolarHBondContact OE1-CA 3.19Å; E159-S357 WeakPolarHBondContact OE1-CB 3.4Å; S357-E359 PolarHBondContact O-N 3.33Å; S357-D360 PolarHBondContact N-OD2 2.71Å; S357-D360 VanDerWaalsContact O-CB 3.27Å; S357-D360 WeakPolarHBondContact O-CB 3.42Å; S357-D360 PolarHBondContact O-N 2.82Å; S357-D360 PolarHBondContact OG-OD2 2.87Å; S357-F465 WeakPolarHBondContact O-CE1 3.24Å
358	L	92.2	Very high	92.9	Very high	44 Å²	44	48.9 Å²	48.9	23%	0.23	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-65.5	-25.4	176.8	-66.5	173.4	0	0	0	112.7	E159 D360 K361 M462 F465 L466	E159-L358 HydrophobicContact CB-CD1 4.38Å; E159-L358 HydrophobicContact CG-CD1 4.06Å; E159-L358 HydrophobicContact CG-CG 4.1Å; E159-L358 PolarHBondContact OE1-N 3.19Å; L358-D360 PolarHBondContact O-N 2.81Å; L358-K361 VanDerWaalsContact O-CB 3.25Å; L358-K361 WeakPolarHBondContact O-CB 3.19Å; L358-K361 PolarHBondContact O-N 3.26Å; L358-M462 HydrophobicContact CD1-CB 4.22Å; L358-M462 HydrophobicContact CD1-CE 3.38Å; L358-M462 HydrophobicContact CD1-CG 3.71Å; L358-M462 HydrophobicContact CD1-SD 4.19Å; L358-M462 HydrophobicContact CD2-CB 3.89Å; L358-M462 HydrophobicContact CD2-CG 3.9Å; L358-M462 HydrophobicContact CG-CG 4.49Å; L358-F465 HydrophobicContact CD2-CD1 4.25Å; L358-L466 HydrophobicContact CD2-CD1 3.93Å; L358-L466 HydrophobicContact CD2-CD2 4.21Å; L358-L466 HydrophobicContact CD2-CG 3.87Å; L358-L466 HydrophobicContact CG-CD1 4.13Å; L358-L466 HydrophobicContact CG-CD2 4.41Å; L358-L466 HydrophobicContact CG-CG 4.4Å
359	E	92.6	Very high	93.2	Very high	131 Å²	131	45.2 Å²	45.2	61%	0.612	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-63.5	-24.7	171.1	-64.8	176.4	-176.9	0	0	111.3	S357 K361 H362	S357-E359 PolarHBondContact O-N 3.33Å; E359-K361 PolarHBondContact O-N 3.38Å; E359-H362 PolarHBondContact O-CE1 3.17Å; E359-H362 PolarHBondContact O-ND1 2.95Å
360	D	94.6	Very high	93.3	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-72.6	-20.5	179	-63.1	-42.5	0	0	0	113.7	V349 L350 R354 S357 L358 H362 R363 M364 F465	V349-D360 HydrophobicContact CG1-CB 4.07Å; L350-D360 HydrophobicContact CD2-CB 4.25Å; L350-D360 WeakPolarHBondContact CD2-OD2 3.46Å; R354-D360 IonicContact CZ-OD1 3.44Å; R354-D360 IonicContact CZ-OD2 3.51Å; R354-D360 IonicContact NH1-OD1 3.31Å; R354-D360 PolarHBondContact NH1-OD1 3.37Å; R354-D360 IonicContact NH1-OD2 2.73Å; R354-D360 PolarHBondContact NH1-OD2 2.96Å; R354-D360 IonicContact NH2-OD1 2.69Å; R354-D360 PolarHBondContact NH2-OD1 3.38Å; R354-D360 IonicContact NH2-OD2 3.41Å; R354-D360 PolarHBondContact NH2-OD2 2.97Å; S357-D360 PolarHBondContact N-OD2 2.71Å; S357-D360 VanDerWaalsContact O-CB 3.27Å; S357-D360 WeakPolarHBondContact O-CB 3.42Å; S357-D360 PolarHBondContact O-N 2.82Å; S357-D360 PolarHBondContact OG-OD2 2.87Å; L358-D360 PolarHBondContact O-N 2.81Å; D360-H362 VanDerWaalsContact C-N 3.3Å; D360-H362 PolarHBondContact O-N 2.84Å; D360-R363 WeakPolarHBondContact O-CA 3.31Å; D360-R363 PolarHBondContact O-N 3.13Å; D360-R363 IonicContact OD1-CZ 3.67Å; D360-R363 IonicContact OD1-NE 3.95Å; D360-R363 IonicContact OD1-NH2 2.66Å; D360-R363 PolarHBondContact OD1-NH2 3.2Å; D360-M364 HydrophobicContact CB-CE 4.11Å; D360-M364 PolarHBondContact O-N 2.69Å; D360-F465 HydrophobicContact CB-CZ 4.35Å
361	K	93.7	Very high	93.6	Very high	60 Å²	60	44.8 Å²	44.8	26%	0.261	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-53.5	-44.6	-172.1	-173.8	-172.5	171.1	-155.6	0	113.1	L358 E359 R363 M364 E368 F465	L358-K361 VanDerWaalsContact O-CB 3.25Å; L358-K361 WeakPolarHBondContact O-CB 3.19Å; L358-K361 PolarHBondContact O-N 3.26Å; E359-K361 PolarHBondContact O-N 3.38Å; K361-R363 PolarHBondContact O-N 3.22Å; K361-M364 PolarHBondContact O-N 3.31Å; K361-E368 WeakPolarHBondContact CE-OE1 3.33Å; K361-E368 VanDerWaalsContact CE-OE2 3.28Å; K361-E368 WeakPolarHBondContact CE-OE2 3.46Å; K361-E368 IonicContact NZ-OE1 3.61Å; K361-E368 PolarHBondContact NZ-OE1 2.7Å; K361-E368 IonicContact NZ-OE2 2.9Å; K361-F465 VanDerWaalsContact CA-CZ 3.43Å; K361-F465 HydrophobicContact CB-CD1 4.44Å; K361-F465 HydrophobicContact CB-CD2 4.31Å; K361-F465 HydrophobicContact CB-CE1 4.08Å; K361-F465 HydrophobicContact CB-CE2 3.94Å; K361-F465 HydrophobicContact CB-CZ 3.81Å; K361-F465 HydrophobicContact CG-CD2 3.96Å; K361-F465 HydrophobicContact CG-CE2 3.91Å; K361-F465 HydrophobicContact CG-CG 4.4Å; K361-F465 HydrophobicContact CG-CZ 4.31Å
362	H	93.1	Very high	94.3	Very high	143 Å²	143	42.1 Å²	42.1	66%	0.662	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-67.9	-16.4	-178.9	70.7	-85.8	0	0	0	113.7	E359 D360	E359-H362 PolarHBondContact O-CE1 3.17Å; E359-H362 PolarHBondContact O-ND1 2.95Å; D360-H362 VanDerWaalsContact C-N 3.3Å; D360-H362 PolarHBondContact O-N 2.84Å
363	R	96.3	Very high	95.1	Very high	121 Å²	121	36.7 Å²	36.7	46%	0.457	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-96.6	-0.4	175.7	-57.3	-174	-70.8	178.8	-5.5	112.7	V349 R354 D360 K361 P365	V349-R363 HydrophobicContact CG1-CB 3.96Å; V349-R363 HydrophobicContact CG2-CB 3.94Å; V349-R363 WeakPolarHBondContact CG2-O 3.1Å; R354-R363 VanDerWaalsContact NH2-NH2 3.12Å; D360-R363 WeakPolarHBondContact O-CA 3.31Å; D360-R363 PolarHBondContact O-N 3.13Å; D360-R363 IonicContact OD1-CZ 3.67Å; D360-R363 IonicContact OD1-NE 3.95Å; D360-R363 IonicContact OD1-NH2 2.66Å; D360-R363 PolarHBondContact OD1-NH2 3.2Å; K361-R363 PolarHBondContact O-N 3.22Å; R363-P365 WeakPolarHBondContact O-CD 3.19Å
364	M	97.4	Very high	95.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.171	C	C	.	.			trans	-120.9	59.6	179.8	-60.7	-177	175.3	0	0	111.8	E345 I346 V349 L350 D360 K361 Y366 V367 E368 F465 T469	E345-M364 HydrophobicContact CG-CB 4.25Å; E345-M364 HydrophobicContact CG-CG 4.29Å; E345-M364 WeakPolarHBondContact OE2-CA 3.48Å; I346-M364 HydrophobicContact CG1-CE 4.5Å; V349-M364 HydrophobicContact CB-CE 3.65Å; V349-M364 HydrophobicContact CB-CG 4.24Å; V349-M364 HydrophobicContact CG1-CE 3.67Å; V349-M364 HydrophobicContact CG1-CG 4.25Å; V349-M364 HydrophobicContact CG2-CE 4.39Å; V349-M364 HydrophobicContact CG2-CG 3.99Å; L350-M364 HydrophobicContact CD1-CE 3.92Å; L350-M364 HydrophobicContact CD2-CE 3.64Å; L350-M364 HydrophobicContact CG-CE 3.51Å; D360-M364 HydrophobicContact CB-CE 4.11Å; D360-M364 PolarHBondContact O-N 2.69Å; K361-M364 PolarHBondContact O-N 3.31Å; M364-Y366 PolarHBondContact O-N 3.36Å; M364-V367 HydrophobicContact CB-CB 3.99Å; M364-V367 HydrophobicContact CB-CG2 4.28Å; M364-V367 PolarHBondContact O-N 2.53Å; M364-V367 HydrophobicContact SD-CG2 4.4Å; M364-E368 PolarHBondContact O-N 2.67Å; M364-F465 HydrophobicContact CB-CE2 4.38Å; M364-F465 HydrophobicContact SD-CE2 3.99Å; M364-F465 HydrophobicContact SD-CZ 3.69Å; M364-T469 HydrophobicContact SD-CG2 3.97Å
365	P	97.6	Very high	96.3	Very high	25 Å²	25	33 Å²	33	16%	0.162	16%	0.16	C	C	.	.	H	α-helix	trans	-59.5	-32.7	-177.8	25.8	-35.9	0	0	0	113.1	E345 R363 E368 A369 L432 G436 F438	E345-P365 WeakPolarHBondContact OE1-CD 3.41Å; R363-P365 WeakPolarHBondContact O-CD 3.19Å; P365-E368 PolarHBondContact O-N 3.31Å; P365-A369 VanDerWaalsContact O-CB 3.28Å; P365-A369 WeakPolarHBondContact O-CB 3.4Å; P365-A369 PolarHBondContact O-N 3.4Å; P365-L432 HydrophobicContact CB-CD2 4.14Å; P365-G436 WeakPolarHBondContact CB-O 3.35Å; P365-G436 WeakPolarHBondContact CG-O 3.29Å; P365-F438 HydrophobicContact CB-CB 3.94Å
366	Y	98.1	Very high	96.6	Very high	19 Å²	19	29.7 Å²	29.7	8%	0.075	14%	0.138	C	C	.	.	H	α-helix	trans	-72.1	-42.3	179.6	-164.7	-93.3	0	0	0	112.2	I336 R341 V342 E345 M364 E368 A369 V370 P428 L432	I336-Y366 HydrophobicContact CG2-CE1 4.07Å; R341-Y366 HydrophobicContact CB-CD1 4.09Å; R341-Y366 HydrophobicContact CB-CE1 3.63Å; R341-Y366 WeakPolarHBondContact CD-OH 3.29Å; R341-Y366 HydrophobicContact CG-CE1 4.37Å; R341-Y366 VanDerWaalsContact NH1-CE2 3.34Å; R341-Y366 PolarHBondContact NH1-OH 3.49Å; V342-Y366 HydrophobicContact CG2-CD1 3.79Å; V342-Y366 HydrophobicContact CG2-CE1 3.84Å; E345-Y366 VanDerWaalsContact OE1-CB 3.22Å; E345-Y366 WeakPolarHBondContact OE1-CB 3.34Å; E345-Y366 PolarHBondContact OE1-N 3.35Å; E345-Y366 WeakPolarHBondContact OE2-CB 3.3Å; E345-Y366 PolarHBondContact OE2-N 3.19Å; M364-Y366 PolarHBondContact O-N 3.36Å; Y366-E368 VanDerWaalsContact C-N 3.3Å; Y366-E368 PolarHBondContact O-N 2.8Å; Y366-A369 WeakPolarHBondContact O-CB 3.45Å; Y366-A369 PolarHBondContact O-N 2.99Å; Y366-V370 HydrophobicContact CD1-CG2 3.97Å; Y366-V370 HydrophobicContact CE1-CG2 3.64Å; Y366-V370 WeakPolarHBondContact O-CG2 3.45Å; Y366-V370 PolarHBondContact O-N 3.48Å; Y366-P428 HydrophobicContact CE2-CB 4.31Å; Y366-L432 HydrophobicContact CD2-CD1 3.62Å; Y366-L432 HydrophobicContact CE2-CD1 4.08Å
367	V	98.2	Very high	96.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.6	-44.7	170.6	166.9	0	0	0	0	110.4	V342 E345 I346 M364 A369 V370 L371 F465 F468 T469	V342-V367 HydrophobicContact CG1-CG2 4.05Å; E345-V367 VanDerWaalsContact OE2-CG2 3.32Å; E345-V367 WeakPolarHBondContact OE2-CG2 3.42Å; E345-V367 PolarHBondContact OE2-N 3.13Å; I346-V367 HydrophobicContact CD1-CG2 4.4Å; I346-V367 HydrophobicContact CG1-CG2 4.11Å; M364-V367 HydrophobicContact CB-CB 3.99Å; M364-V367 HydrophobicContact CB-CG2 4.28Å; M364-V367 PolarHBondContact O-N 2.53Å; M364-V367 HydrophobicContact SD-CG2 4.4Å; V367-A369 VanDerWaalsContact C-N 3.33Å; V367-A369 PolarHBondContact O-N 2.84Å; V367-V370 PolarHBondContact O-N 2.69Å; V367-L371 HydrophobicContact CG1-CD1 4.17Å; V367-L371 PolarHBondContact O-N 2.84Å; V367-F465 HydrophobicContact CG1-CD2 4.03Å; V367-F465 HydrophobicContact CG1-CE2 3.92Å; V367-F468 HydrophobicContact CG1-CD1 3.88Å; V367-F468 HydrophobicContact CG1-CE1 4.03Å; V367-T469 HydrophobicContact CG1-CG2 3.77Å
368	E	97.9	Very high	97	Very high	25 Å²	25	30.8 Å²	30.8	12%	0.117	14%	0.141	C	C	.	.	H	α-helix	trans	-62.8	-42.1	177.8	-170.8	165.3	-165	0	0	111.4	K361 M364 P365 Y366 L371 H372 F438	K361-E368 WeakPolarHBondContact CE-OE1 3.33Å; K361-E368 VanDerWaalsContact CE-OE2 3.28Å; K361-E368 WeakPolarHBondContact CE-OE2 3.46Å; K361-E368 IonicContact NZ-OE1 3.61Å; K361-E368 PolarHBondContact NZ-OE1 2.7Å; K361-E368 IonicContact NZ-OE2 2.9Å; M364-E368 PolarHBondContact O-N 2.67Å; P365-E368 PolarHBondContact O-N 3.31Å; Y366-E368 VanDerWaalsContact C-N 3.3Å; Y366-E368 PolarHBondContact O-N 2.8Å; E368-L371 PolarHBondContact O-N 3.46Å; E368-H372 VanDerWaalsContact CG-CE1 3.47Å; E368-H372 WeakPolarHBondContact CG-CE1 3.35Å; E368-H372 WeakPolarHBondContact CG-ND1 3.24Å; E368-H372 PolarHBondContact O-N 3.45Å; E368-H372 PolarHBondContact O-ND1 2.92Å; E368-H372 IonicContact OE1-CE1 3.56Å; E368-H372 PolarHBondContact OE1-CE1 3.47Å; E368-F438 HydrophobicContact CB-CD2 3.94Å; E368-F438 HydrophobicContact CB-CE2 4.34Å; E368-F438 HydrophobicContact CB-CG 4.25Å; E368-F438 HydrophobicContact CG-CD1 4.16Å; E368-F438 HydrophobicContact CG-CD2 3.7Å; E368-F438 HydrophobicContact CG-CE1 4.15Å; E368-F438 HydrophobicContact CG-CE2 3.69Å; E368-F438 HydrophobicContact CG-CG 3.95Å; E368-F438 HydrophobicContact CG-CZ 3.93Å
369	A	98.4	Very high	97.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.9	-42.7	175	0	0	0	0	0	112.8	P365 Y366 V367 H372 E373 P428 F431 L432 F438	P365-A369 VanDerWaalsContact O-CB 3.28Å; P365-A369 WeakPolarHBondContact O-CB 3.4Å; P365-A369 PolarHBondContact O-N 3.4Å; Y366-A369 WeakPolarHBondContact O-CB 3.45Å; Y366-A369 PolarHBondContact O-N 2.99Å; V367-A369 VanDerWaalsContact C-N 3.33Å; V367-A369 PolarHBondContact O-N 2.84Å; A369-H372 PolarHBondContact O-N 3.47Å; A369-E373 WeakPolarHBondContact O-CB 3.3Å; A369-E373 PolarHBondContact O-N 2.77Å; A369-P428 HydrophobicContact CB-CB 4.29Å; A369-P428 WeakPolarHBondContact CB-O 3.36Å; A369-F431 HydrophobicContact CB-CB 3.77Å; A369-L432 HydrophobicContact CB-CD1 4.45Å; A369-L432 HydrophobicContact CB-CD2 3.78Å; A369-L432 HydrophobicContact CB-CG 3.97Å; A369-F438 HydrophobicContact CB-CD2 4.32Å
370	V	98.6	Very high	97.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.5	-47.5	176.4	169.3	0	0	0	0	111.3	M330 I336 V342 Y366 V367 H372 E373 I374 P428 F468	M330-V370 HydrophobicContact CE-CG1 3.55Å; M330-V370 HydrophobicContact SD-CG1 4.26Å; I336-V370 HydrophobicContact CG2-CG2 3.85Å; V342-V370 HydrophobicContact CG2-CG2 3.93Å; Y366-V370 HydrophobicContact CD1-CG2 3.97Å; Y366-V370 HydrophobicContact CE1-CG2 3.64Å; Y366-V370 WeakPolarHBondContact O-CG2 3.45Å; Y366-V370 PolarHBondContact O-N 3.48Å; V367-V370 PolarHBondContact O-N 2.69Å; V370-H372 VanDerWaalsContact C-N 3.33Å; V370-H372 PolarHBondContact O-N 2.88Å; V370-E373 PolarHBondContact O-N 2.83Å; V370-I374 HydrophobicContact CG1-CD1 3.76Å; V370-I374 WeakPolarHBondContact O-CD1 3.38Å; V370-I374 VanDerWaalsContact O-CG1 3.29Å; V370-I374 WeakPolarHBondContact O-CG1 3.35Å; V370-I374 PolarHBondContact O-N 3.46Å; V370-P428 HydrophobicContact CB-CG 4.47Å; V370-P428 HydrophobicContact CG2-CB 3.77Å; V370-P428 HydrophobicContact CG2-CG 3.64Å; V370-F468 HydrophobicContact CG1-CE1 4.34Å; V370-F468 HydrophobicContact CG1-CE2 4.44Å; V370-F468 HydrophobicContact CG1-CZ 3.72Å
371	L	98.6	Very high	97.7	Very high	12 Å²	12	24.7 Å²	24.7	6%	0.063	11%	0.114	C	C	.	.	H	α-helix	trans	-62.8	-39.8	178.5	-72.5	172.6	0	0	0	112.1	V367 E368 I374 L375 M464 F465 F468	V367-L371 HydrophobicContact CG1-CD1 4.17Å; V367-L371 PolarHBondContact O-N 2.84Å; E368-L371 PolarHBondContact O-N 3.46Å; L371-I374 HydrophobicContact CD2-CD1 4.43Å; L371-I374 PolarHBondContact O-N 3.35Å; L371-L375 WeakPolarHBondContact O-CG 3.35Å; L371-L375 PolarHBondContact O-N 3.24Å; L371-L375 VanDerWaalsContact O-N 3.13Å; L371-M464 HydrophobicContact CD2-CB 4.36Å; L371-F465 HydrophobicContact CD1-CB 4.33Å; L371-F465 HydrophobicContact CD1-CD2 4.37Å; L371-F468 HydrophobicContact CD1-CD1 4.44Å; L371-F468 HydrophobicContact CD2-CB 3.96Å; L371-F468 HydrophobicContact CD2-CD1 4.15Å; L371-F468 HydrophobicContact CD2-CD2 4.07Å; L371-F468 HydrophobicContact CD2-CG 3.82Å; L371-F468 HydrophobicContact CG-CD1 4.26Å; L371-F468 HydrophobicContact CG-CG 4.41Å
372	H	98.7	Very high	97.9	Very high	9 Å²	9	22 Å²	22	4%	0.042	10%	0.103	C	C	.	.	H	α-helix	trans	-66.1	-40.5	174.5	-77.4	75.6	0	0	0	111.7	E368 A369 V370 I374 L375 R376 F431 F438 F444 R461	E368-H372 VanDerWaalsContact CG-CE1 3.47Å; E368-H372 WeakPolarHBondContact CG-CE1 3.35Å; E368-H372 WeakPolarHBondContact CG-ND1 3.24Å; E368-H372 PolarHBondContact O-N 3.45Å; E368-H372 PolarHBondContact O-ND1 2.92Å; E368-H372 IonicContact OE1-CE1 3.56Å; E368-H372 PolarHBondContact OE1-CE1 3.47Å; A369-H372 PolarHBondContact O-N 3.47Å; V370-H372 VanDerWaalsContact C-N 3.33Å; V370-H372 PolarHBondContact O-N 2.88Å; H372-I374 PolarHBondContact O-N 2.85Å; H372-L375 PolarHBondContact O-N 3.01Å; H372-R376 WeakPolarHBondContact O-CB 3.26Å; H372-R376 PolarHBondContact O-N 3.22Å; H372-F431 HydrophobicContact CB-CD1 3.92Å; H372-F431 HydrophobicContact CB-CD2 3.92Å; H372-F431 HydrophobicContact CB-CE1 3.84Å; H372-F431 HydrophobicContact CB-CE2 3.84Å; H372-F431 HydrophobicContact CB-CG 3.96Å; H372-F431 HydrophobicContact CB-CZ 3.8Å; H372-F438 HydrophobicContact CB-CE2 4.18Å; H372-F438 HydrophobicContact CB-CZ 4.49Å; H372-F438 AromaticContact CD2-CZ 3.6Å; H372-F438 AromaticContact CE1-CE2 3.87Å; H372-F438 AromaticContact CE1-CZ 3.37Å; H372-F438 WeakPolarHBondContact CE1-CZ 3.35Å; H372-F438 AromaticContact CG-CE2 3.71Å; H372-F438 AromaticContact CG-CZ 3.65Å; H372-F438 AromaticContact ND1-CE2 3.53Å; H372-F438 AromaticContact ND1-CZ 3.51Å; H372-F438 AromaticContact NE2-CZ 3.49Å; H372-F438 WeakPolarHBondContact NE2-CZ 3.35Å; H372-F444 HydrophobicContact CB-CE2 4.18Å; H372-F444 HydrophobicContact CB-CZ 4.04Å; H372-F444 AromaticContact CD2-CD1 3.74Å; H372-F444 AromaticContact CD2-CE1 3.17Å; H372-F444 WeakPolarHBondContact CD2-CE1 3.28Å; H372-F444 AromaticContact CD2-CZ 3.32Å; H372-F444 WeakPolarHBondContact CD2-CZ 3.41Å; H372-F444 AromaticContact CG-CZ 3.9Å; H372-F444 AromaticContact NE2-CE1 3.73Å; H372-F444 VanDerWaalsContact O-CE2 3.23Å; H372-F444 WeakPolarHBondContact O-CE2 3.44Å; H372-R461 PolarHBondContact CE1-NH1 2.99Å; H372-R461 PolarHBondContact NE2-NH1 2.92Å
373	E	98.7	Very high	98.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-67.4	-35.5	177	-174.8	65.8	168	0	0	112.5	A369 V370 R376 F377 F426 S427 R430 F431	A369-E373 WeakPolarHBondContact O-CB 3.3Å; A369-E373 PolarHBondContact O-N 2.77Å; V370-E373 PolarHBondContact O-N 2.83Å; E373-R376 PolarHBondContact O-N 3.3Å; E373-R376 IonicContact OE1-CZ 3.63Å; E373-R376 IonicContact OE1-NE 2.74Å; E373-R376 IonicContact OE1-NH2 2.81Å; E373-R376 PolarHBondContact OE1-NH2 3.14Å; E373-R376 IonicContact OE2-CZ 3.57Å; E373-R376 IonicContact OE2-NE 2.82Å; E373-R376 PolarHBondContact OE2-NE 3.09Å; E373-R376 IonicContact OE2-NH2 3.51Å; E373-F377 WeakPolarHBondContact O-CB 3.28Å; E373-F377 PolarHBondContact O-N 3.38Å; E373-F426 HydrophobicContact CB-CE2 4.1Å; E373-F426 HydrophobicContact CB-CZ 4.38Å; E373-F426 HydrophobicContact CG-CD2 3.58Å; E373-F426 HydrophobicContact CG-CE2 3.54Å; E373-F426 HydrophobicContact CG-CG 4.12Å; E373-F426 HydrophobicContact CG-CZ 4.04Å; E373-F426 WeakPolarHBondContact OE1-CA 3.43Å; E373-S427 PolarHBondContact OE1-N 3.48Å; E373-R430 IonicContact OE1-CZ 3.83Å; E373-R430 IonicContact OE1-NE 2.96Å; E373-R430 PolarHBondContact OE1-NE 3.4Å; E373-R430 IonicContact OE1-NH2 3.85Å; E373-R430 WeakPolarHBondContact OE2-CD 3.41Å; E373-R430 IonicContact OE2-NE 3.33Å; E373-R430 PolarHBondContact OE2-NE 2.87Å; E373-F431 HydrophobicContact CB-CD2 4.2Å; E373-F431 HydrophobicContact CB-CE2 4.08Å; E373-F431 WeakPolarHBondContact OE2-CE2 3.43Å
374	I	98.6	Very high	98.1	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-59.6	-48.6	171.9	-69.8	155.8	0	0	0	110.6	T322 W325 A326 V370 L371 H372 C378 F426 F468	T322-I374 HydrophobicContact CG2-CG2 4.03Å; W325-I374 HydrophobicContact CB-CG2 4Å; A326-I374 HydrophobicContact CB-CD1 3.48Å; A326-I374 VanDerWaalsContact CB-CD1 3.48Å; V370-I374 HydrophobicContact CG1-CD1 3.76Å; V370-I374 WeakPolarHBondContact O-CD1 3.38Å; V370-I374 VanDerWaalsContact O-CG1 3.29Å; V370-I374 WeakPolarHBondContact O-CG1 3.35Å; V370-I374 PolarHBondContact O-N 3.46Å; L371-I374 HydrophobicContact CD2-CD1 4.43Å; L371-I374 PolarHBondContact O-N 3.35Å; H372-I374 PolarHBondContact O-N 2.85Å; I374-C378 WeakPolarHBondContact O-CB 3.44Å; I374-C378 PolarHBondContact O-N 2.89Å; I374-C378 PolarHBondContact O-SG 2.92Å; I374-C378 VanDerWaalsContact O-SG 3.4Å; I374-F426 HydrophobicContact CG1-CE2 3.97Å; I374-F426 HydrophobicContact CG1-CZ 4.04Å; I374-F468 HydrophobicContact CD1-CE2 4.46Å
375	L	98.7	Very high	98	Very high	8 Å²	8	13 Å²	13	4%	0.042	7%	0.069	C	C	.	.	H	α-helix	trans	-63.1	-43.8	178.9	-73.3	170.6	0	0	0	112.3	T322 L371 H372 N379 I380 F444 P446 F447 M464	T322-L375 HydrophobicContact CG2-CD2 3.75Å; T322-L375 HydrophobicContact CG2-CG 4.25Å; L371-L375 WeakPolarHBondContact O-CG 3.35Å; L371-L375 PolarHBondContact O-N 3.24Å; L371-L375 VanDerWaalsContact O-N 3.13Å; H372-L375 PolarHBondContact O-N 3.01Å; L375-N379 PolarHBondContact O-N 2.91Å; L375-I380 HydrophobicContact CD2-CD1 4.18Å; L375-F444 HydrophobicContact CB-CE2 3.93Å; L375-F444 HydrophobicContact CB-CZ 3.76Å; L375-F444 HydrophobicContact CD1-CZ 3.82Å; L375-F444 HydrophobicContact CG-CZ 4.47Å; L375-P446 HydrophobicContact CB-CB 4.09Å; L375-P446 HydrophobicContact CB-CG 4.14Å; L375-P446 HydrophobicContact CD1-CG 4.26Å; L375-P446 HydrophobicContact CD2-CB 4.39Å; L375-F447 HydrophobicContact CD1-CE2 4.2Å; L375-F447 HydrophobicContact CD1-CZ 4.37Å; L375-M464 HydrophobicContact CD1-CE 3.91Å; L375-M464 HydrophobicContact CD1-SD 4.02Å; L375-M464 HydrophobicContact CD2-SD 4.01Å; L375-M464 HydrophobicContact CG-SD 4.26Å
376	R	98.7	Very high	98	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-65.8	-47.6	179.1	-173	-154.7	67.1	84.4	-7	111.2	H372 E373 N379 H414 W420 P423 I425 F431 F444	H372-R376 WeakPolarHBondContact O-CB 3.26Å; H372-R376 PolarHBondContact O-N 3.22Å; E373-R376 PolarHBondContact O-N 3.3Å; E373-R376 IonicContact OE1-CZ 3.63Å; E373-R376 IonicContact OE1-NE 2.74Å; E373-R376 IonicContact OE1-NH2 2.81Å; E373-R376 PolarHBondContact OE1-NH2 3.14Å; E373-R376 IonicContact OE2-CZ 3.57Å; E373-R376 IonicContact OE2-NE 2.82Å; E373-R376 PolarHBondContact OE2-NE 3.09Å; E373-R376 IonicContact OE2-NH2 3.51Å; R376-N379 PolarHBondContact O-ND2 3.43Å; R376-H414 HydrophobicContact CG-CB 3.76Å; R376-H414 PolarHBondContact NH1-O 2.82Å; R376-H414 WeakPolarHBondContact O-CB 3.21Å; R376-W420 VanDerWaalsContact CD-CE3 3.42Å; R376-W420 HydrophobicContact CG-CH2 4Å; R376-W420 HydrophobicContact CG-CZ2 3.96Å; R376-W420 HydrophobicContact CG-CZ3 4.33Å; R376-P423 PolarHBondContact NH1-O 2.99Å; R376-P423 PolarHBondContact NH2-O 2.93Å; R376-I425 PolarHBondContact NH2-O 2.92Å; R376-F431 HydrophobicContact CB-CE2 4.45Å; R376-F431 HydrophobicContact CB-CZ 4.26Å; R376-F444 HydrophobicContact CB-CD2 4.16Å; R376-F444 HydrophobicContact CB-CE2 4.04Å
377	F	98.5	Very high	98	Very high	39 Å²	39	12 Å²	12	17%	0.171	6%	0.062	C	C	.	.	H	α-helix	trans	-79.1	-46.6	-171.4	-165.4	-114.2	0	0	0	112	Y329 E373 N379 F415 G424 F426	Y329-F377 AromaticContact CE1-CD1 3.8Å; Y329-F377 HydrophobicContact CE1-CD1 3.8Å; Y329-F377 AromaticContact CE1-CE1 3.87Å; Y329-F377 HydrophobicContact CE1-CE1 3.87Å; Y329-F377 AromaticContact CZ-CD1 3.75Å; Y329-F377 AromaticContact CZ-CE1 3.87Å; Y329-F377 VanDerWaalsContact OH-CD1 3.3Å; Y329-F377 WeakPolarHBondContact OH-CD1 3.44Å; Y329-F377 WeakPolarHBondContact OH-CE1 3.38Å; E373-F377 WeakPolarHBondContact O-CB 3.28Å; E373-F377 PolarHBondContact O-N 3.38Å; F377-N379 PolarHBondContact O-N 2.86Å; F377-N379 PolarHBondContact O-ND2 2.87Å; F377-F415 AromaticContact CD2-CZ 3.8Å; F377-F415 HydrophobicContact CD2-CZ 3.8Å; F377-F415 HydrophobicContact CE2-CE1 4.28Å; F377-F415 AromaticContact CE2-CZ 3.93Å; F377-F415 HydrophobicContact CE2-CZ 3.93Å; F377-G424 WeakPolarHBondContact CE2-O 3.46Å; F377-G424 WeakPolarHBondContact CZ-O 3.26Å; F377-F426 HydrophobicContact CB-CD2 3.96Å; F377-F426 HydrophobicContact CD1-CB 4.06Å; F377-F426 AromaticContact CD1-CD2 3.81Å; F377-F426 HydrophobicContact CD1-CD2 3.81Å; F377-F426 HydrophobicContact CD1-CG 4.41Å; F377-F426 HydrophobicContact CE1-CB 4.03Å; F377-F426 HydrophobicContact CG-CB 4.38Å; F377-F426 HydrophobicContact CG-CD2 4Å; F377-F426 HydrophobicContact CZ-CB 4.33Å
378	C	97.9	Very high	98	Very high	9 Å²	9	12 Å²	12	6%	0.061	6%	0.062	C	C	.	.	H	α-helix	trans	-81.5	-15.7	-173.2	-55.4	0	0	0	0	113.5	W325 Y329 I374 I380	W325-C378 HydrophobicContact CB-CB 4.16Å; W325-C378 HydrophobicContact CD2-CB 4.01Å; W325-C378 HydrophobicContact CG-CB 3.72Å; Y329-C378 VanDerWaalsContact CE2-SG 3.56Å; I374-C378 WeakPolarHBondContact O-CB 3.44Å; I374-C378 PolarHBondContact O-N 2.89Å; I374-C378 PolarHBondContact O-SG 2.92Å; I374-C378 VanDerWaalsContact O-SG 3.4Å; C378-I380 HydrophobicContact CB-CD1 4.11Å; C378-I380 PolarHBondContact O-N 3.13Å
379	N	98	Very high	98	Very high	5 Å²	5	10.9 Å²	10.9	3%	0.027	6%	0.057	C	C	.	.			trans	45.6	61.5	173.8	-72.6	-81.5	0	0	0	113.7	L375 R376 F377 V381 P382 Y411 H414 F415 L495	L375-N379 PolarHBondContact O-N 2.91Å; R376-N379 PolarHBondContact O-ND2 3.43Å; F377-N379 PolarHBondContact O-N 2.86Å; F377-N379 PolarHBondContact O-ND2 2.87Å; N379-V381 PolarHBondContact O-N 2.71Å; N379-P382 HydrophobicContact CB-CB 4.08Å; N379-P382 VanDerWaalsContact O-CD 3.25Å; N379-P382 WeakPolarHBondContact O-CD 3.39Å; N379-Y411 HydrophobicContact CB-CD2 4.32Å; N379-Y411 WeakPolarHBondContact OD1-CA 3.25Å; N379-H414 PolarHBondContact OD1-ND1 3.3Å; N379-F415 WeakPolarHBondContact ND2-CE2 3.3Å; N379-L495 HydrophobicContact CB-CD1 4.3Å; N379-L495 WeakPolarHBondContact O-CD1 3.38Å
380	I	98.1	Very high	98	Very high	10 Å²	10	12.3 Å²	12.3	5%	0.051	7%	0.067	C	C	.	.	S	Bend	trans	-52.4	-33.5	-174.9	-69.9	76.2	0	0	0	111.6	T318 N321 T322 L375 C378 T494 L495	T318-I380 HydrophobicContact CG2-CG2 4.39Å; N321-I380 HydrophobicContact CB-CG1 4.44Å; N321-I380 HydrophobicContact CB-CG2 4.18Å; T322-I380 HydrophobicContact CG2-CD1 4.41Å; T322-I380 WeakPolarHBondContact OG1-CG1 3.48Å; L375-I380 HydrophobicContact CD2-CD1 4.18Å; C378-I380 HydrophobicContact CB-CD1 4.11Å; C378-I380 PolarHBondContact O-N 3.13Å; I380-T494 CarbonylContact O-C 3.31Å; I380-T494 WeakPolarHBondContact O-CA 3.43Å; I380-T494 WeakPolarHBondContact O-CB 3.49Å; I380-L495 PolarHBondContact O-N 2.98Å
381	V	97.7	Very high	97.9	Very high	34 Å²	34	17.7 Å²	17.7	21%	0.206	9%	0.092	C	C	.	.	S	Bend	trans	-123.4	78.6	173.6	-165	0	0	0	0	109.6	T318 N379 L383 G384 T494	T318-V381 HydrophobicContact CG2-CG2 4.03Å; N379-V381 PolarHBondContact O-N 2.71Å; V381-L383 VanDerWaalsContact C-N 3.33Å; V381-L383 PolarHBondContact O-N 3.25Å; V381-G384 PolarHBondContact O-N 2.88Å; V381-T494 HydrophobicContact CG2-CG2 4.37Å
382	P	97.4	Very high	97.9	Very high	4 Å²	4	22.1 Å²	22.1	3%	0.026	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-27.7	-162.3	31.1	-37.6	0	0	0	113.2	H67 N379 N409 L410 Y411 L495	H67-P382 HydrophobicContact CB-CB 3.87Å; H67-P382 HydrophobicContact CB-CG 4.43Å; N379-P382 HydrophobicContact CB-CB 4.08Å; N379-P382 VanDerWaalsContact O-CD 3.25Å; N379-P382 WeakPolarHBondContact O-CD 3.39Å; P382-N409 CarbonylContact O-C 3.58Å; P382-L410 PolarHBondContact O-N 2.88Å; P382-Y411 PolarHBondContact O-N 3.04Å; P382-L495 HydrophobicContact CB-CD1 3.99Å; P382-L495 HydrophobicContact CB-CG 4.28Å; P382-L495 HydrophobicContact CG-CD1 3.94Å; P382-L495 HydrophobicContact CG-CD2 4.04Å; P382-L495 HydrophobicContact CG-CG 3.69Å
383	L	97.4	Very high	97.8	Very high	22 Å²	22	22 Å²	22	12%	0.115	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	10.9	-179.8	-63.5	-173.6	0	0	0	113.3	P66 H67 L70 V381 F386 I407 T408 N409	P66-L383 HydrophobicContact CB-CD1 3.99Å; H67-L383 HydrophobicContact CB-CD2 3.73Å; H67-L383 HydrophobicContact CB-CG 4.14Å; L70-L383 HydrophobicContact CD1-CD1 3.94Å; L70-L383 HydrophobicContact CD1-CD2 3.72Å; V381-L383 VanDerWaalsContact C-N 3.33Å; V381-L383 PolarHBondContact O-N 3.25Å; L383-F386 HydrophobicContact CB-CE1 4.43Å; L383-I407 HydrophobicContact CB-CG2 4Å; L383-I407 HydrophobicContact CD1-CG2 4.23Å; L383-I407 HydrophobicContact CD2-CG2 4.01Å; L383-I407 HydrophobicContact CG-CG2 4.31Å; L383-T408 CarbonylContact C-O 3.56Å; L383-T408 VanDerWaalsContact CA-O 3.31Å; L383-T408 WeakPolarHBondContact CA-O 3.27Å; L383-T408 PolarHBondContact O-OG1 3.49Å; L383-N409 HydrophobicContact CD2-CB 4.12Å
384	G	96.4	Very high	97.8	Very high	4 Å²	4	29.4 Å²	29.4	4%	0.041	15%	0.149	C	C	.	.			trans	56.1	-157.2	-169.5	0	0	0	0	0	112.1	V381	V381-G384 PolarHBondContact O-N 2.88Å
385	I	96.3	Very high	97.7	Very high	47 Å²	47	29.5 Å²	29.5	24%	0.241	15%	0.149	C	C	.	.	S	Bend	trans	-107.4	129.7	167.6	-56.3	169.7	0	0	0	106.9	R113 L129 R387 M493	R113-I385 VanDerWaalsContact CZ-CG2 3.47Å; R113-I385 VanDerWaalsContact NH1-CG2 3.29Å; R113-I385 PolarHBondContact NH1-O 3.23Å; L129-I385 HydrophobicContact CD1-CD1 3.81Å; L129-I385 HydrophobicContact CD2-CD1 3.9Å; L129-I385 HydrophobicContact CD2-CG2 4.18Å; L129-I385 HydrophobicContact CG-CD1 3.74Å; I385-R387 PolarHBondContact O-N 3.25Å; I385-M493 HydrophobicContact CG1-CE 4.45Å
386	F	97	Very high	97.5	Very high	19 Å²	19	34 Å²	34	8%	0.083	17%	0.168	C	C	.	.			trans	-51.7	134.9	-173.4	-54.6	-24.1	0	0	0	112.6	R113 P114 L116 L383 M405 I407	R113-F386 VanDerWaalsContact CD-O 3.29Å; R113-F386 WeakPolarHBondContact CD-O 3.42Å; R113-F386 PolarHBondContact NH1-O 3.46Å; P114-F386 WeakPolarHBondContact CD-O 3.4Å; P114-F386 HydrophobicContact CG-CB 3.94Å; L116-F386 HydrophobicContact CD1-CD2 4.43Å; L383-F386 HydrophobicContact CB-CE1 4.43Å; F386-M405 HydrophobicContact CB-CG 4.23Å; F386-M405 HydrophobicContact CB-SD 4.15Å; F386-M405 HydrophobicContact CD2-CE 4.35Å; F386-M405 HydrophobicContact CD2-SD 3.7Å; F386-M405 HydrophobicContact CE2-SD 4.4Å; F386-M405 HydrophobicContact CG-SD 4.11Å; F386-I407 HydrophobicContact CD1-CG1 3.85Å; F386-I407 HydrophobicContact CD1-CG2 4.48Å; F386-I407 HydrophobicContact CE1-CD1 4.14Å; F386-I407 HydrophobicContact CE1-CG1 3.94Å; F386-I407 HydrophobicContact CE1-CG2 4.31Å; F386-I407 HydrophobicContact CG-CG1 4.49Å; F386-I407 HydrophobicContact CZ-CD1 4.48Å
387	R	98.1	Very high	97.3	Very high	6 Å²	6	37.6 Å²	37.6	2%	0.023	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	169.9	175.6	-57.4	-66.3	-170.8	-145.7	-2.1	109.6	L103 F110 D112 I385 V406 T408 S448 R452	L103-R387 HydrophobicContact CD2-CG 4.24Å; F110-R387 WeakPolarHBondContact O-CD 3.47Å; D112-R387 CarbonylContact O-C 3.52Å; D112-R387 VanDerWaalsContact O-CA 3.31Å; D112-R387 WeakPolarHBondContact O-CA 3.31Å; I385-R387 PolarHBondContact O-N 3.25Å; R387-V406 HydrophobicContact CB-CB 4.04Å; R387-V406 PolarHBondContact N-O 3.33Å; R387-V406 PolarHBondContact O-N 3.17Å; R387-T408 HydrophobicContact CG-CG2 4.37Å; R387-S448 PolarHBondContact NH2-OG 3.23Å; R387-R452 PolarHBondContact NH2-O 3.11Å
388	A	98.4	Very high	97.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	157.1	161.5	0	0	0	0	0	110	D112 P114 T404	D112-A388 HydrophobicContact CB-CB 4.39Å; D112-A388 WeakPolarHBondContact CB-O 3.39Å; D112-A388 PolarHBondContact N-O 3.46Å; D112-A388 PolarHBondContact O-N 2.88Å; P114-A388 HydrophobicContact CB-CB 4.28Å; A388-T404 VanDerWaalsContact CA-O 3.24Å; A388-T404 WeakPolarHBondContact CA-O 3.39Å
389	T	98.4	Very high	97.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.223	C	C	.	.			trans	-76.8	126.7	171.1	49.2	0	0	0	0	110.4	V109 F110 Q391 A393 I400 P401 K402 G403 T404 V406	V109-T389 CarbonylContact O-C 3.41Å; V109-T389 VanDerWaalsContact O-CA 3.31Å; V109-T389 WeakPolarHBondContact O-CA 3.28Å; F110-T389 HydrophobicContact CD1-CG2 4.04Å; F110-T389 HydrophobicContact CE1-CG2 3.65Å; F110-T389 HydrophobicContact CZ-CG2 4.06Å; T389-Q391 VanDerWaalsContact C-N 3.31Å; T389-Q391 WeakPolarHBondContact CB-O 3.29Å; T389-A393 HydrophobicContact CG2-CB 4.46Å; T389-I400 HydrophobicContact CG2-CB 4.48Å; T389-I400 HydrophobicContact CG2-CG2 3.74Å; T389-P401 PolarHBondContact OG1-O 3.48Å; T389-K402 WeakPolarHBondContact OG1-CA 3.24Å; T389-G403 PolarHBondContact O-N 2.86Å; T389-G403 PolarHBondContact OG1-N 3.28Å; T389-G403 VanDerWaalsContact OG1-N 3.13Å; T389-T404 PolarHBondContact N-O 2.95Å; T389-T404 PolarHBondContact OG1-N 2.92Å; T389-V406 HydrophobicContact CG2-CG2 4.14Å
390	S	97.4	Very high	97.3	Very high	30 Å²	30	41 Å²	41	21%	0.21	22%	0.221	C	C	.	.	S	Bend	trans	-77.3	-20.2	176.8	58.9	0	0	0	0	113	E108 V109 K402	E108-S390 PolarHBondContact O-OG 3.44Å; V109-S390 WeakPolarHBondContact CA-OG 3.49Å; V109-S390 PolarHBondContact O-N 3.21Å; V109-S390 PolarHBondContact O-OG 2.84Å; S390-K402 VanDerWaalsContact O-CD 3.27Å; S390-K402 WeakPolarHBondContact O-CD 3.39Å; S390-K402 WeakPolarHBondContact O-CE 3.47Å; S390-K402 WeakPolarHBondContact O-CG 3.33Å
391	Q	97.4	Very high	97.3	Very high	113 Å²	113	42.2 Å²	42.2	53%	0.528	23%	0.23	S	C	.	.	S	Bend	trans	-151.1	171.6	178.1	59.1	-179	67	0	0	110.1	V109 T389	V109-Q391 HydrophobicContact CB-CG 4.41Å; V109-Q391 HydrophobicContact CG1-CG 3.88Å; V109-Q391 HydrophobicContact CG2-CG 3.95Å; T389-Q391 VanDerWaalsContact C-N 3.31Å; T389-Q391 WeakPolarHBondContact CB-O 3.29Å
392	D	97.9	Very high	97.3	Very high	105 Å²	105	47.5 Å²	47.5	56%	0.561	25%	0.251	S	S	*	.			trans	-60.6	137.3	172.6	-69.7	3.6	0	0	0	110.4	I400 P401 K402	D392-I400 WeakPolarHBondContact CA-O 3.06Å; D392-P401 WeakPolarHBondContact OD1-CA 3.31Å; D392-K402 PolarHBondContact OD1-N 3.45Å
393	A	97.6	Very high	97.2	Very high	6 Å²	6	49.6 Å²	49.6	5%	0.05	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	155	-175.2	0	0	0	0	0	111.3	V109 F110 T389 T399 I400	V109-A393 HydrophobicContact CG1-CB 3.71Å; F110-A393 HydrophobicContact CE2-CB 4.07Å; F110-A393 HydrophobicContact CZ-CB 3.94Å; T389-A393 HydrophobicContact CG2-CB 4.46Å; A393-T399 WeakPolarHBondContact O-CA 3.07Å; A393-I400 HydrophobicContact CB-CB 4.36Å; A393-I400 PolarHBondContact N-O 3.33Å; A393-I400 PolarHBondContact O-N 3.19Å
394	K	97.8	Very high	97.3	Very high	157 Å²	157	48.9 Å²	48.9	68%	0.683	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.8	168.3	-72.4	-171.6	178.2	-176.9	0	110	Q106 Y398	Q106-K394 PolarHBondContact NE2-O 3.28Å; K394-Y398 CarbonylContact C-O 3.6Å; K394-Y398 VanDerWaalsContact CA-O 3.26Å; K394-Y398 WeakPolarHBondContact CA-O 3.33Å
395	V	97.1	Very high	97.4	Very high	1 Å²	1	49 Å²	49	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	120.4	179.8	-177.7	0	0	0	0	108.8	I80 F110 G397 Y398 I400	I80-V395 HydrophobicContact CD1-CB 3.9Å; I80-V395 HydrophobicContact CD1-CG1 3.76Å; F110-V395 HydrophobicContact CE2-CG2 4.15Å; F110-V395 HydrophobicContact CZ-CG2 3.66Å; V395-G397 PolarHBondContact O-N 3.44Å; V395-G397 VanDerWaalsContact O-N 3.15Å; V395-Y398 PolarHBondContact N-O 2.88Å; V395-Y398 WeakPolarHBondContact O-CB 3.44Å; V395-Y398 PolarHBondContact O-N 2.78Å; V395-I400 HydrophobicContact CB-CD1 3.99Å; V395-I400 HydrophobicContact CG2-CD1 3.69Å
396	K	93.8	Very high	97.5	Very high	103 Å²	103	46.8 Å²	46.8	45%	0.448	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	40.2	179.3	-60.3	-168.4	175.9	-136.7	0	113.9	I80 Y398	I80-K396 HydrophobicContact CG2-CB 4.28Å; I80-K396 HydrophobicContact CG2-CD 4.36Å; K396-Y398 VanDerWaalsContact C-N 3.29Å; K396-Y398 PolarHBondContact O-N 3.17Å
397	G	94.5	Very high	97.5	Very high	76 Å²	76	46 Å²	46	78%	0.784	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	-7.6	-179.6	0	0	0	0	0	115.4	V395	V395-G397 PolarHBondContact O-N 3.44Å; V395-G397 VanDerWaalsContact O-N 3.15Å
398	Y	98.1	Very high	97.5	Very high	72 Å²	72	45.8 Å²	45.8	28%	0.282	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	145.2	175.3	-60.3	-68.8	0	0	0	112.2	G45 P47 P48 I80 K394 V395 K396	G45-Y398 CarbonylContact O-C 3.44Å; G45-Y398 WeakPolarHBondContact O-CA 3.5Å; P47-Y398 HydrophobicContact CB-CD1 4.4Å; P47-Y398 HydrophobicContact CB-CD2 4.37Å; P47-Y398 HydrophobicContact CB-CG 4.2Å; P47-Y398 HydrophobicContact CG-CD1 4.4Å; P47-Y398 HydrophobicContact CG-CD2 4.26Å; P47-Y398 HydrophobicContact CG-CG 3.89Å; P48-Y398 VanDerWaalsContact CD-CE1 3.49Å; P48-Y398 VanDerWaalsContact CD-CZ 3.45Å; P48-Y398 WeakPolarHBondContact CD-OH 3.29Å; I80-Y398 HydrophobicContact CG2-CD2 3.57Å; I80-Y398 HydrophobicContact CG2-CE2 3.67Å; K394-Y398 CarbonylContact C-O 3.6Å; K394-Y398 VanDerWaalsContact CA-O 3.26Å; K394-Y398 WeakPolarHBondContact CA-O 3.33Å; V395-Y398 PolarHBondContact N-O 2.88Å; V395-Y398 WeakPolarHBondContact O-CB 3.44Å; V395-Y398 PolarHBondContact O-N 2.78Å; K396-Y398 VanDerWaalsContact C-N 3.29Å; K396-Y398 PolarHBondContact O-N 3.17Å
399	T	97.9	Very high	97.5	Very high	51 Å²	51	45.8 Å²	45.8	31%	0.313	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	126.5	172.3	-58.3	0	0	0	0	109.3	G45 F46 A393	G45-T399 PolarHBondContact O-N 3.43Å; F46-T399 WeakPolarHBondContact CD2-O 3.42Å; A393-T399 WeakPolarHBondContact O-CA 3.07Å
400	I	98.3	Very high	97.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	107.9	178.2	-51.5	174.9	0	0	0	107.9	F46 I80 V91 F110 T389 D392 A393 V395 T404	F46-I400 HydrophobicContact CE2-CG2 4.37Å; I80-I400 HydrophobicContact CD1-CD1 3.88Å; V91-I400 HydrophobicContact CG1-CD1 4.31Å; V91-I400 HydrophobicContact CG2-CG2 4.19Å; F110-I400 HydrophobicContact CE1-CD1 4.3Å; F110-I400 HydrophobicContact CZ-CD1 4.12Å; T389-I400 HydrophobicContact CG2-CB 4.48Å; T389-I400 HydrophobicContact CG2-CG2 3.74Å; D392-I400 WeakPolarHBondContact CA-O 3.06Å; A393-I400 HydrophobicContact CB-CB 4.36Å; A393-I400 PolarHBondContact N-O 3.33Å; A393-I400 PolarHBondContact O-N 3.19Å; V395-I400 HydrophobicContact CB-CD1 3.99Å; V395-I400 HydrophobicContact CG2-CD1 3.69Å; I400-T404 HydrophobicContact CG2-CG2 3.81Å
401	P	97.8	Very high	97.6	Very high	37 Å²	37	46.2 Å²	46.2	24%	0.24	25%	0.251	C	S	.	.			trans	-61.7	154.8	179.9	-24.3	34.7	0	0	0	112.9	P43 T389 D392 T404	P43-P401 HydrophobicContact CG-CG 4.15Å; T389-P401 PolarHBondContact OG1-O 3.48Å; D392-P401 WeakPolarHBondContact OD1-CA 3.31Å; P401-T404 VanDerWaalsContact O-CB 3.29Å; P401-T404 WeakPolarHBondContact O-CB 3.19Å; P401-T404 PolarHBondContact O-N 3.42Å; P401-T404 PolarHBondContact O-OG1 3.02Å
402	K	97.8	Very high	97.7	Very high	145 Å²	145	41 Å²	41	63%	0.63	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	140.2	169.8	177.4	173.8	177.4	172.5	0	111.7	T389 S390 D392 T404	T389-K402 WeakPolarHBondContact OG1-CA 3.24Å; S390-K402 VanDerWaalsContact O-CD 3.27Å; S390-K402 WeakPolarHBondContact O-CD 3.39Å; S390-K402 WeakPolarHBondContact O-CE 3.47Å; S390-K402 WeakPolarHBondContact O-CG 3.33Å; D392-K402 PolarHBondContact OD1-N 3.45Å; K402-T404 PolarHBondContact O-N 3.36Å
403	G	96.7	Very high	97.7	Very high	48 Å²	48	36 Å²	36	50%	0.495	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	-0.9	176.9	0	0	0	0	0	114.3	T389 M405	T389-G403 PolarHBondContact O-N 2.86Å; T389-G403 PolarHBondContact OG1-N 3.28Å; T389-G403 VanDerWaalsContact OG1-N 3.13Å; G403-M405 PolarHBondContact O-N 2.96Å
404	T	98.1	Very high	97.7	Very high	7 Å²	7	35.8 Å²	35.8	4%	0.043	20%	0.198	C	C	.	.			trans	-61.2	131.2	174.5	-60.3	0	0	0	0	109.3	F46 V91 A388 T389 I400 P401 K402	F46-T404 HydrophobicContact CE2-CG2 4Å; F46-T404 HydrophobicContact CZ-CG2 3.83Å; V91-T404 HydrophobicContact CB-CG2 4.4Å; V91-T404 HydrophobicContact CG2-CG2 3.83Å; A388-T404 VanDerWaalsContact CA-O 3.24Å; A388-T404 WeakPolarHBondContact CA-O 3.39Å; T389-T404 PolarHBondContact N-O 2.95Å; T389-T404 PolarHBondContact OG1-N 2.92Å; I400-T404 HydrophobicContact CG2-CG2 3.81Å; P401-T404 VanDerWaalsContact O-CB 3.29Å; P401-T404 WeakPolarHBondContact O-CB 3.19Å; P401-T404 PolarHBondContact O-N 3.42Å; P401-T404 PolarHBondContact O-OG1 3.02Å; K402-T404 PolarHBondContact O-N 3.36Å
405	M	98.1	Very high	97.8	Very high	7 Å²	7	29.4 Å²	29.4	3%	0.034	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	136.3	174.6	-174.5	169.2	77.4	0	0	109.6	L85 I88 M89 T90 V91 P114 L116 F386 G403 I407	L85-M405 HydrophobicContact CD1-CE 3.58Å; I88-M405 HydrophobicContact CG2-CB 4.48Å; M89-M405 PolarHBondContact O-N 3.34Å; M89-M405 VanDerWaalsContact O-N 3.13Å; T90-M405 CarbonylContact C-O 3.58Å; T90-M405 VanDerWaalsContact CA-O 3.28Å; T90-M405 WeakPolarHBondContact CA-O 3.37Å; T90-M405 HydrophobicContact CG2-CB 4.35Å; T90-M405 HydrophobicContact CG2-CE 3.53Å; T90-M405 HydrophobicContact CG2-CG 4.38Å; T90-M405 VanDerWaalsContact OG1-CE 3.27Å; T90-M405 WeakPolarHBondContact OG1-CE 3.42Å; V91-M405 PolarHBondContact N-O 3.39Å; P114-M405 HydrophobicContact CB-CB 4.15Å; P114-M405 HydrophobicContact CB-CG 3.9Å; P114-M405 HydrophobicContact CB-SD 4.12Å; P114-M405 HydrophobicContact CG-CG 4.01Å; P114-M405 HydrophobicContact CG-SD 4.02Å; L116-M405 HydrophobicContact CD1-SD 4.09Å; L116-M405 HydrophobicContact CD2-SD 4.23Å; F386-M405 HydrophobicContact CB-CG 4.23Å; F386-M405 HydrophobicContact CB-SD 4.15Å; F386-M405 HydrophobicContact CD2-CE 4.35Å; F386-M405 HydrophobicContact CD2-SD 3.7Å; F386-M405 HydrophobicContact CE2-SD 4.4Å; F386-M405 HydrophobicContact CG-SD 4.11Å; G403-M405 PolarHBondContact O-N 2.96Å; M405-I407 HydrophobicContact CE-CD1 4.24Å; M405-I407 HydrophobicContact CE-CG1 4.35Å
406	V	98.6	Very high	97.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	118.7	-178.9	178.7	0	0	0	0	109.4	V91 L93 F110 R387 T389	V91-V406 CarbonylContact O-C 3.21Å; V91-V406 WeakPolarHBondContact O-CA 3.36Å; L93-V406 HydrophobicContact CD1-CG1 3.55Å; L93-V406 HydrophobicContact CD2-CG1 4.41Å; L93-V406 HydrophobicContact CG-CG1 3.74Å; F110-V406 HydrophobicContact CD1-CB 4.42Å; F110-V406 HydrophobicContact CD1-CG1 4.14Å; F110-V406 HydrophobicContact CD1-CG2 3.99Å; F110-V406 HydrophobicContact CE1-CG1 4.35Å; F110-V406 HydrophobicContact CE1-CG2 3.93Å; R387-V406 HydrophobicContact CB-CB 4.04Å; R387-V406 PolarHBondContact N-O 3.33Å; R387-V406 PolarHBondContact O-N 3.17Å; T389-V406 HydrophobicContact CG2-CG2 4.14Å
407	I	98.4	Very high	98	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.015	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	125.5	174.4	-60.2	179.9	0	0	0	108.4	L70 T90 V91 V92 L93 L383 F386 M405	L70-I407 HydrophobicContact CD1-CG2 4.22Å; T90-I407 HydrophobicContact CG2-CD1 3.64Å; T90-I407 HydrophobicContact CG2-CG1 3.74Å; V91-I407 PolarHBondContact O-N 3Å; V92-I407 WeakPolarHBondContact CA-O 3.12Å; V92-I407 HydrophobicContact CG1-CB 4.44Å; V92-I407 HydrophobicContact CG1-CG2 4.45Å; V92-I407 HydrophobicContact CG2-CB 4.38Å; L93-I407 PolarHBondContact N-O 3.03Å; L383-I407 HydrophobicContact CB-CG2 4Å; L383-I407 HydrophobicContact CD1-CG2 4.23Å; L383-I407 HydrophobicContact CD2-CG2 4.01Å; L383-I407 HydrophobicContact CG-CG2 4.31Å; F386-I407 HydrophobicContact CD1-CG1 3.85Å; F386-I407 HydrophobicContact CD1-CG2 4.48Å; F386-I407 HydrophobicContact CE1-CD1 4.14Å; F386-I407 HydrophobicContact CE1-CG1 3.94Å; F386-I407 HydrophobicContact CE1-CG2 4.31Å; F386-I407 HydrophobicContact CG-CG1 4.49Å; F386-I407 HydrophobicContact CZ-CD1 4.48Å; M405-I407 HydrophobicContact CE-CD1 4.24Å; M405-I407 HydrophobicContact CE-CG1 4.35Å
408	T	98.3	Very high	98.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	100.9	176.9	52.8	0	0	0	0	108.9	L93 L103 L383 R387 L410	L93-T408 HydrophobicContact CD1-CG2 4.2Å; L103-T408 HydrophobicContact CD1-CG2 3.8Å; L103-T408 HydrophobicContact CD2-CG2 4Å; L103-T408 HydrophobicContact CG-CG2 4.21Å; L383-T408 CarbonylContact C-O 3.56Å; L383-T408 VanDerWaalsContact CA-O 3.31Å; L383-T408 WeakPolarHBondContact CA-O 3.27Å; L383-T408 PolarHBondContact O-OG1 3.49Å; R387-T408 HydrophobicContact CG-CG2 4.37Å; T408-L410 VanDerWaalsContact C-N 3.3Å; T408-L410 PolarHBondContact O-N 3.44Å
409	N	98.4	Very high	98.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.			trans	-76.5	80.5	-178.2	-169.9	-4.7	0	0	0	110.6	H67 K71 V92 L93 N94 P382 L383 Y411 S412 V413	H67-N409 PolarHBondContact O-ND2 3.05Å; K71-N409 PolarHBondContact N-ND2 2.75Å; V92-N409 HydrophobicContact CG1-CB 4.34Å; L93-N409 WeakPolarHBondContact O-CB 3.27Å; L93-N409 PolarHBondContact O-N 2.92Å; N94-N409 WeakPolarHBondContact OD1-CB 3.32Å; N94-N409 PolarHBondContact OD1-ND2 3.4Å; P382-N409 CarbonylContact O-C 3.58Å; L383-N409 HydrophobicContact CD2-CB 4.12Å; N409-Y411 PolarHBondContact O-N 3.21Å; N409-Y411 WeakPolarHBondContact OD1-CB 3.26Å; N409-Y411 PolarHBondContact OD1-N 3.17Å; N409-S412 WeakPolarHBondContact O-CB 3.42Å; N409-S412 PolarHBondContact O-N 3.3Å; N409-S412 PolarHBondContact O-OG 2.85Å; N409-S412 PolarHBondContact OD1-N 2.82Å; N409-V413 PolarHBondContact O-N 3.38Å
410	L	98.6	Very high	98.1	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-62.6	-30.6	179	-61.2	-179.7	0	0	0	112.1	V99 P382 T408 S412 V413 H414 L445	V99-L410 HydrophobicContact CG1-CD2 4.49Å; P382-L410 PolarHBondContact O-N 2.88Å; T408-L410 VanDerWaalsContact C-N 3.3Å; T408-L410 PolarHBondContact O-N 3.44Å; L410-S412 VanDerWaalsContact C-N 3.31Å; L410-S412 PolarHBondContact O-N 3.2Å; L410-V413 WeakPolarHBondContact O-CB 3.47Å; L410-V413 PolarHBondContact O-N 3.3Å; L410-V413 VanDerWaalsContact O-N 3.09Å; L410-H414 PolarHBondContact O-N 3Å; L410-L445 HydrophobicContact CD2-CB 4.42Å
411	Y	98.4	Very high	98	Very high	37 Å²	37	36.3 Å²	36.3	15%	0.145	19%	0.189	C	C	.	.	H	α-helix	trans	-56.5	-45.7	170.1	168.8	-96	0	0	0	111.6	H67 V68 K71 N379 P382 N409 V413 H414 F415	H67-Y411 HydrophobicContact CB-CD1 4.22Å; H67-Y411 HydrophobicContact CB-CG 4.19Å; H67-Y411 AromaticContact CD2-CD1 3.79Å; H67-Y411 AromaticContact CD2-CD2 3.67Å; H67-Y411 AromaticContact CD2-CG 3.55Å; V68-Y411 HydrophobicContact CG2-CE1 4.28Å; K71-Y411 HydrophobicContact CB-CD1 4.32Å; K71-Y411 HydrophobicContact CB-CE1 4.12Å; K71-Y411 HydrophobicContact CD-CD1 4.35Å; K71-Y411 HydrophobicContact CD-CE1 3.72Å; N379-Y411 HydrophobicContact CB-CD2 4.32Å; N379-Y411 WeakPolarHBondContact OD1-CA 3.25Å; P382-Y411 PolarHBondContact O-N 3.04Å; N409-Y411 PolarHBondContact O-N 3.21Å; N409-Y411 WeakPolarHBondContact OD1-CB 3.26Å; N409-Y411 PolarHBondContact OD1-N 3.17Å; Y411-V413 PolarHBondContact O-N 3.1Å; Y411-H414 PolarHBondContact O-N 2.86Å; Y411-F415 AromaticContact CD2-CD2 3.72Å; Y411-F415 HydrophobicContact CD2-CD2 3.72Å; Y411-F415 AromaticContact CD2-CE2 3.78Å; Y411-F415 HydrophobicContact CD2-CE2 3.78Å; Y411-F415 HydrophobicContact CD2-CG 4.46Å; Y411-F415 HydrophobicContact CE2-CD1 4.22Å; Y411-F415 AromaticContact CE2-CD2 3.5Å; Y411-F415 HydrophobicContact CE2-CD2 3.5Å; Y411-F415 VanDerWaalsContact CE2-CD2 3.5Å; Y411-F415 HydrophobicContact CE2-CE1 4.12Å; Y411-F415 AromaticContact CE2-CE2 3.42Å; Y411-F415 HydrophobicContact CE2-CE2 3.42Å; Y411-F415 VanDerWaalsContact CE2-CE2 3.42Å; Y411-F415 AromaticContact CE2-CG 3.93Å; Y411-F415 HydrophobicContact CE2-CG 3.93Å; Y411-F415 AromaticContact CE2-CZ 3.74Å; Y411-F415 HydrophobicContact CE2-CZ 3.74Å; Y411-F415 HydrophobicContact CG-CD2 4.4Å; Y411-F415 AromaticContact CZ-CG 3.97Å; Y411-F415 WeakPolarHBondContact O-CB 3.21Å; Y411-F415 WeakPolarHBondContact O-CD2 3.18Å; Y411-F415 PolarHBondContact O-N 3.46Å
412	S	98.5	Very high	98	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.028	21%	0.206	C	C	.	.	H	α-helix	trans	-63.8	-28.9	176.7	75.6	0	0	0	0	113.4	N94 G95 N409 L410 F415 D416	N94-S412 WeakPolarHBondContact CA-OG 3.42Å; N94-S412 WeakPolarHBondContact CB-OG 3.41Å; G95-S412 PolarHBondContact N-OG 3.22Å; N409-S412 WeakPolarHBondContact O-CB 3.42Å; N409-S412 PolarHBondContact O-N 3.3Å; N409-S412 PolarHBondContact O-OG 2.85Å; N409-S412 PolarHBondContact OD1-N 2.82Å; L410-S412 VanDerWaalsContact C-N 3.31Å; L410-S412 PolarHBondContact O-N 3.2Å; S412-F415 CarbonylContact O-C 3.53Å; S412-D416 WeakPolarHBondContact O-CB 3.48Å; S412-D416 PolarHBondContact O-N 3.2Å
413	V	98.7	Very high	98	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-69.3	-43.4	175.4	179.5	0	0	0	0	110.6	Y96 V99 N409 L410 Y411 F415 D416 W420 A443 L445	Y96-V413 HydrophobicContact CD2-CG1 4.02Å; V99-V413 HydrophobicContact CB-CG2 4.17Å; V99-V413 HydrophobicContact CG2-CG2 3.79Å; N409-V413 PolarHBondContact O-N 3.38Å; L410-V413 WeakPolarHBondContact O-CB 3.47Å; L410-V413 PolarHBondContact O-N 3.3Å; L410-V413 VanDerWaalsContact O-N 3.09Å; Y411-V413 PolarHBondContact O-N 3.1Å; V413-F415 PolarHBondContact O-N 2.98Å; V413-D416 WeakPolarHBondContact O-CB 3.31Å; V413-D416 PolarHBondContact O-N 3.4Å; V413-W420 PolarHBondContact O-NE1 2.91Å; V413-A443 HydrophobicContact CG1-CB 4.37Å; V413-A443 WeakPolarHBondContact CG1-O 3.14Å; V413-L445 HydrophobicContact CG1-CD1 4.05Å; V413-L445 HydrophobicContact CG1-CG 4.28Å
414	H	98.7	Very high	98	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-75.1	-12.8	179.4	-70.6	158	0	0	0	114	R376 N379 L410 Y411 A443 L445	R376-H414 HydrophobicContact CG-CB 3.76Å; R376-H414 PolarHBondContact NH1-O 2.82Å; R376-H414 WeakPolarHBondContact O-CB 3.21Å; N379-H414 PolarHBondContact OD1-ND1 3.3Å; L410-H414 PolarHBondContact O-N 3Å; Y411-H414 PolarHBondContact O-N 2.86Å; H414-A443 PolarHBondContact CD2-O 3.44Å; H414-L445 PolarHBondContact NE2-N 3.18Å
415	F	98.4	Very high	98	Very high	22 Å²	22	38.1 Å²	38.1	10%	0.096	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	20.2	175.7	-75.2	-109.8	0	0	0	112.4	K71 F377 N379 Y411 S412 V413 E417 P423	K71-F415 HydrophobicContact CD-CB 4.36Å; F377-F415 AromaticContact CD2-CZ 3.8Å; F377-F415 HydrophobicContact CD2-CZ 3.8Å; F377-F415 HydrophobicContact CE2-CE1 4.28Å; F377-F415 AromaticContact CE2-CZ 3.93Å; F377-F415 HydrophobicContact CE2-CZ 3.93Å; N379-F415 WeakPolarHBondContact ND2-CE2 3.3Å; Y411-F415 AromaticContact CD2-CD2 3.72Å; Y411-F415 HydrophobicContact CD2-CD2 3.72Å; Y411-F415 AromaticContact CD2-CE2 3.78Å; Y411-F415 HydrophobicContact CD2-CE2 3.78Å; Y411-F415 HydrophobicContact CD2-CG 4.46Å; Y411-F415 HydrophobicContact CE2-CD1 4.22Å; Y411-F415 AromaticContact CE2-CD2 3.5Å; Y411-F415 HydrophobicContact CE2-CD2 3.5Å; Y411-F415 VanDerWaalsContact CE2-CD2 3.5Å; Y411-F415 HydrophobicContact CE2-CE1 4.12Å; Y411-F415 AromaticContact CE2-CE2 3.42Å; Y411-F415 HydrophobicContact CE2-CE2 3.42Å; Y411-F415 VanDerWaalsContact CE2-CE2 3.42Å; Y411-F415 AromaticContact CE2-CG 3.93Å; Y411-F415 HydrophobicContact CE2-CG 3.93Å; Y411-F415 AromaticContact CE2-CZ 3.74Å; Y411-F415 HydrophobicContact CE2-CZ 3.74Å; Y411-F415 HydrophobicContact CG-CD2 4.4Å; Y411-F415 AromaticContact CZ-CG 3.97Å; Y411-F415 WeakPolarHBondContact O-CB 3.21Å; Y411-F415 WeakPolarHBondContact O-CD2 3.18Å; Y411-F415 PolarHBondContact O-N 3.46Å; S412-F415 CarbonylContact O-C 3.53Å; V413-F415 PolarHBondContact O-N 2.98Å; F415-E417 PolarHBondContact O-N 3.48Å; F415-P423 HydrophobicContact CB-CB 4.18Å; F415-P423 HydrophobicContact CD1-CB 3.93Å; F415-P423 HydrophobicContact CD1-CG 4.47Å; F415-P423 WeakPolarHBondContact CE1-O 3.32Å; F415-P423 HydrophobicContact CG-CB 4.16Å
416	D	97.9	Very high	97.9	Very high	24 Å²	24	38.5 Å²	38.5	13%	0.128	21%	0.206	C	C	.	.			trans	-78	107.9	176.6	-166.1	-20.6	0	0	0	109.6	G95 Y96 S412 V413 K418 Y419 W420	G95-D416 VanDerWaalsContact CA-OD2 3.29Å; G95-D416 WeakPolarHBondContact CA-OD2 3.41Å; Y96-D416 PolarHBondContact N-OD2 3.33Å; S412-D416 WeakPolarHBondContact O-CB 3.48Å; S412-D416 PolarHBondContact O-N 3.2Å; V413-D416 WeakPolarHBondContact O-CB 3.31Å; V413-D416 PolarHBondContact O-N 3.4Å; D416-K418 PolarHBondContact O-N 3.24Å; D416-K418 VanDerWaalsContact O-N 3.11Å; D416-K418 VanDerWaalsContact OD1-CB 3.31Å; D416-K418 WeakPolarHBondContact OD1-CB 3.47Å; D416-K418 PolarHBondContact OD1-N 3.11Å; D416-Y419 HydrophobicContact CB-CD2 4.25Å; D416-Y419 PolarHBondContact O-N 2.78Å; D416-W420 PolarHBondContact O-N 3.36Å
417	E	97.1	Very high	97.9	Very high	152 Å²	152	39.9 Å²	39.9	71%	0.71	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.6	-177.7	-68.6	178.1	-179.2	0	0	113	F415 Y419 P423	F415-E417 PolarHBondContact O-N 3.48Å; E417-Y419 PolarHBondContact O-N 3.48Å; E417-P423 HydrophobicContact CG-CG 3.86Å
418	K	97.3	Very high	97.8	Very high	131 Å²	131	39.7 Å²	39.7	57%	0.57	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-29.7	170.3	-178.5	178.2	167.6	-168.7	0	112.4	D97 D416	D97-K418 IonicContact OD1-NZ 2.72Å; D97-K418 IonicContact OD2-NZ 3.41Å; D97-K418 PolarHBondContact OD2-NZ 2.64Å; D416-K418 PolarHBondContact O-N 3.24Å; D416-K418 VanDerWaalsContact O-N 3.11Å; D416-K418 VanDerWaalsContact OD1-CB 3.31Å; D416-K418 WeakPolarHBondContact OD1-CB 3.47Å; D416-K418 PolarHBondContact OD1-N 3.11Å
419	Y	97.9	Very high	97.7	Very high	51 Å²	51	42.9 Å²	42.9	20%	0.2	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-18.2	-173.3	-67.4	-83	0	0	0	114	Y96 D97 D416 E417 E442 A443	Y96-Y419 HydrophobicContact CD1-CD1 4.44Å; Y96-Y419 HydrophobicContact CD1-CD2 4.47Å; Y96-Y419 AromaticContact CD1-CE1 3.78Å; Y96-Y419 HydrophobicContact CD1-CE1 3.78Å; Y96-Y419 AromaticContact CD1-CE2 3.83Å; Y96-Y419 HydrophobicContact CD1-CE2 3.83Å; Y96-Y419 AromaticContact CD1-CZ 3.45Å; Y96-Y419 VanDerWaalsContact CD1-CZ 3.45Å; Y96-Y419 HydrophobicContact CE1-CE1 4.24Å; Y96-Y419 HydrophobicContact CG-CD2 4.45Å; Y96-Y419 HydrophobicContact CG-CE2 4.13Å; D97-Y419 PolarHBondContact OD1-OH 3.18Å; D416-Y419 HydrophobicContact CB-CD2 4.25Å; D416-Y419 PolarHBondContact O-N 2.78Å; E417-Y419 PolarHBondContact O-N 3.48Å; Y419-E442 HydrophobicContact CD1-CG 4.39Å; Y419-E442 HydrophobicContact CE1-CG 4.38Å; Y419-E442 WeakPolarHBondContact CE1-OE1 3.18Å; Y419-A443 HydrophobicContact CD1-CB 3.95Å; Y419-A443 HydrophobicContact CD2-CB 4.32Å; Y419-A443 HydrophobicContact CG-CB 3.68Å
420	W	98	Very high	97.7	Very high	6 Å²	6	43.8 Å²	43.8	2%	0.023	23%	0.233	C	C	.	.			trans	-129.1	121	-175.1	-57.6	100.5	0	0	0	110.4	R376 V413 D416 P423 R430 F431 R441 A443 F444	R376-W420 VanDerWaalsContact CD-CE3 3.42Å; R376-W420 HydrophobicContact CG-CH2 4Å; R376-W420 HydrophobicContact CG-CZ2 3.96Å; R376-W420 HydrophobicContact CG-CZ3 4.33Å; V413-W420 PolarHBondContact O-NE1 2.91Å; D416-W420 PolarHBondContact O-N 3.36Å; W420-P423 HydrophobicContact CB-CB 4.04Å; W420-R430 HydrophobicContact CZ3-CG 4.31Å; W420-F431 AromaticContact CH2-CE1 3.79Å; W420-F431 HydrophobicContact CH2-CE1 3.79Å; W420-F431 HydrophobicContact CH2-CE2 4.43Å; W420-F431 AromaticContact CH2-CZ 3.48Å; W420-F431 HydrophobicContact CH2-CZ 3.48Å; W420-F431 VanDerWaalsContact CH2-CZ 3.48Å; W420-F431 HydrophobicContact CZ3-CE1 4.03Å; W420-F431 HydrophobicContact CZ3-CE2 4.17Å; W420-F431 AromaticContact CZ3-CZ 3.61Å; W420-F431 HydrophobicContact CZ3-CZ 3.61Å; W420-R441 HydrophobicContact CH2-CB 3.63Å; W420-R441 HydrophobicContact CH2-CG 3.8Å; W420-R441 HydrophobicContact CZ2-CB 4.23Å; W420-R441 HydrophobicContact CZ3-CB 4.13Å; W420-R441 HydrophobicContact CZ3-CG 3.79Å; W420-A443 HydrophobicContact CZ2-CB 4.32Å; W420-A443 WeakPolarHBondContact CZ2-O 3.18Å; W420-F444 HydrophobicContact CH2-CB 4.21Å; W420-F444 HydrophobicContact CH2-CD2 4.36Å; W420-F444 HydrophobicContact CZ2-CB 4.25Å
421	S	96.4	Very high	97.6	Very high	84 Å²	84	43.7 Å²	43.7	59%	0.587	23%	0.232	S	C	*	.	S	Bend	trans	-73.5	131.4	168.7	52.5	0	0	0	0	110.5	R430	S421-R430 PolarHBondContact O-NH1 3.1Å; S421-R430 PolarHBondContact O-NH2 3.15Å
422	D	97	Very high	97.6	Very high	113 Å²	113	43.3 Å²	43.3	60%	0.604	23%	0.233	S	C	*	.	S	Bend	trans	44.2	61	-179.8	-55.7	-50.6	0	0	0	113	G424 I425 R430	D422-G424 PolarHBondContact O-N 3.48Å; D422-I425 HydrophobicContact CB-CB 4.46Å; D422-I425 HydrophobicContact CB-CD1 3.85Å; D422-I425 HydrophobicContact CB-CG1 4.15Å; D422-I425 PolarHBondContact O-N 2.76Å; D422-R430 PolarHBondContact O-NH2 3.39Å
423	P	97.5	Very high	97.5	Very high	11 Å²	11	45.8 Å²	45.8	7%	0.071	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.6	-170.5	22.3	-31.4	0	0	0	113.6	R376 F415 E417 W420 I425	R376-P423 PolarHBondContact NH1-O 2.99Å; R376-P423 PolarHBondContact NH2-O 2.93Å; F415-P423 HydrophobicContact CB-CB 4.18Å; F415-P423 HydrophobicContact CD1-CB 3.93Å; F415-P423 HydrophobicContact CD1-CG 4.47Å; F415-P423 WeakPolarHBondContact CE1-O 3.32Å; F415-P423 HydrophobicContact CG-CB 4.16Å; E417-P423 HydrophobicContact CG-CG 3.86Å; W420-P423 HydrophobicContact CB-CB 4.04Å; P423-I425 VanDerWaalsContact C-N 3.26Å; P423-I425 PolarHBondContact O-N 3.16Å
424	G	97.2	Very high	97.3	Very high	54 Å²	54	52 Å²	52	56%	0.557	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-7.6	175.3	0	0	0	0	0	115.3	F377 D422	F377-G424 WeakPolarHBondContact CE2-O 3.46Å; F377-G424 WeakPolarHBondContact CZ-O 3.26Å; D422-G424 PolarHBondContact O-N 3.48Å
425	I	97.5	Very high	97.2	Very high	97 Å²	97	56.3 Å²	56.3	50%	0.497	32%	0.319	S	S	.	.	S	Bend	trans	-101.7	128.3	177.2	-58.3	179.7	0	0	0	109.7	R376 D422 P423 S427 R430	R376-I425 PolarHBondContact NH2-O 2.92Å; D422-I425 HydrophobicContact CB-CB 4.46Å; D422-I425 HydrophobicContact CB-CD1 3.85Å; D422-I425 HydrophobicContact CB-CG1 4.15Å; D422-I425 PolarHBondContact O-N 2.76Å; P423-I425 VanDerWaalsContact C-N 3.26Å; P423-I425 PolarHBondContact O-N 3.16Å; I425-S427 PolarHBondContact O-N 3.38Å; I425-R430 PolarHBondContact O-NH2 3.13Å
426	F	97.6	Very high	97	Very high	16 Å²	16	56.9 Å²	56.9	7%	0.07	33%	0.331	C	S	.	.			trans	-73.4	105.4	168.5	-177.3	-93.1	0	0	0	109.5	Y329 Y333 I336 E373 I374 F377 P428	Y329-F426 HydrophobicContact CD1-CB 4.38Å; Y329-F426 AromaticContact CD1-CD1 3.89Å; Y329-F426 HydrophobicContact CD1-CD1 3.89Å; Y329-F426 AromaticContact CD1-CD2 3.56Å; Y329-F426 HydrophobicContact CD1-CD2 3.56Å; Y329-F426 HydrophobicContact CD1-CE1 4.02Å; Y329-F426 AromaticContact CD1-CE2 3.71Å; Y329-F426 HydrophobicContact CD1-CE2 3.71Å; Y329-F426 AromaticContact CD1-CG 3.66Å; Y329-F426 HydrophobicContact CD1-CG 3.66Å; Y329-F426 AromaticContact CD1-CZ 3.94Å; Y329-F426 HydrophobicContact CD1-CZ 3.94Å; Y329-F426 HydrophobicContact CE1-CB 4.05Å; Y329-F426 HydrophobicContact CE1-CD1 4.41Å; Y329-F426 AromaticContact CE1-CD2 3.64Å; Y329-F426 HydrophobicContact CE1-CD2 3.64Å; Y329-F426 HydrophobicContact CE1-CE2 4.19Å; Y329-F426 AromaticContact CE1-CG 3.77Å; Y329-F426 HydrophobicContact CE1-CG 3.77Å; Y329-F426 HydrophobicContact CG-CD2 4.5Å; Y329-F426 HydrophobicContact CG-CE2 4.26Å; Y329-F426 HydrophobicContact CG-CZ 4.38Å; Y333-F426 HydrophobicContact CD2-CD1 4.03Å; Y333-F426 HydrophobicContact CD2-CE1 4.35Å; Y333-F426 HydrophobicContact CE2-CB 4.45Å; Y333-F426 AromaticContact CE2-CD1 3.99Å; Y333-F426 HydrophobicContact CE2-CD1 3.99Å; Y333-F426 HydrophobicContact CE2-CG 4.39Å; I336-F426 HydrophobicContact CD1-CD1 3.88Å; I336-F426 HydrophobicContact CD1-CE1 3.68Å; E373-F426 HydrophobicContact CB-CE2 4.1Å; E373-F426 HydrophobicContact CB-CZ 4.38Å; E373-F426 HydrophobicContact CG-CD2 3.58Å; E373-F426 HydrophobicContact CG-CE2 3.54Å; E373-F426 HydrophobicContact CG-CG 4.12Å; E373-F426 HydrophobicContact CG-CZ 4.04Å; E373-F426 WeakPolarHBondContact OE1-CA 3.43Å; I374-F426 HydrophobicContact CG1-CE2 3.97Å; I374-F426 HydrophobicContact CG1-CZ 4.04Å; F377-F426 HydrophobicContact CB-CD2 3.96Å; F377-F426 HydrophobicContact CD1-CB 4.06Å; F377-F426 AromaticContact CD1-CD2 3.81Å; F377-F426 HydrophobicContact CD1-CD2 3.81Å; F377-F426 HydrophobicContact CD1-CG 4.41Å; F377-F426 HydrophobicContact CE1-CB 4.03Å; F377-F426 HydrophobicContact CG-CB 4.38Å; F377-F426 HydrophobicContact CG-CD2 4Å; F377-F426 HydrophobicContact CZ-CB 4.33Å; F426-P428 HydrophobicContact CE1-CG 4.07Å; F426-P428 HydrophobicContact CZ-CG 4.46Å
427	S	97.2	Very high	96.9	Very high	28 Å²	28	60 Å²	60	20%	0.196	35%	0.348	C	S	.	.			trans	-141.1	105.1	-179.3	171.2	0	0	0	0	110.2	E373 I425 E429 R430	E373-S427 PolarHBondContact OE1-N 3.48Å; I425-S427 PolarHBondContact O-N 3.38Å; S427-E429 PolarHBondContact O-N 3.15Å; S427-E429 PolarHBondContact OG-OE2 3.42Å; S427-R430 VanDerWaalsContact O-CG 3.26Å; S427-R430 WeakPolarHBondContact O-CG 3.31Å; S427-R430 PolarHBondContact O-N 3.27Å; S427-R430 PolarHBondContact O-NE 2.86Å
428	P	97.6	Very high	96.9	Very high	0 Å²	0	55 Å²	55	0%	0	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-57.1	-31.1	173.3	-26.6	36.2	0	0	0	113.3	I336 Y366 A369 V370 F426 R430 F431	I336-P428 HydrophobicContact CD1-CG 4.14Å; I336-P428 HydrophobicContact CG2-CG 4.2Å; Y366-P428 HydrophobicContact CE2-CB 4.31Å; A369-P428 HydrophobicContact CB-CB 4.29Å; A369-P428 WeakPolarHBondContact CB-O 3.36Å; V370-P428 HydrophobicContact CB-CG 4.47Å; V370-P428 HydrophobicContact CG2-CB 3.77Å; V370-P428 HydrophobicContact CG2-CG 3.64Å; F426-P428 HydrophobicContact CE1-CG 4.07Å; F426-P428 HydrophobicContact CZ-CG 4.46Å; P428-R430 PolarHBondContact O-N 3.04Å; P428-F431 PolarHBondContact O-N 3.41Å
429	E	96.6	Very high	96.8	Very high	67 Å²	67	51 Å²	51	31%	0.313	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-55.9	-24.4	-176.8	-64.1	78.3	-172.9	0	0	113.4	R341 S427 F431 L432	R341-E429 IonicContact CZ-OE1 3.32Å; R341-E429 VanDerWaalsContact CZ-OE1 3.32Å; R341-E429 IonicContact NH1-OE1 2.66Å; R341-E429 PolarHBondContact NH1-OE1 2.88Å; R341-E429 IonicContact NH2-OE1 3.48Å; R341-E429 PolarHBondContact NH2-OE1 3.32Å; S427-E429 PolarHBondContact O-N 3.15Å; S427-E429 PolarHBondContact OG-OE2 3.42Å; E429-F431 PolarHBondContact O-N 2.75Å; E429-F431 VanDerWaalsContact O-N 3.12Å; E429-L432 PolarHBondContact O-N 3.23Å
430	R	96.8	Very high	96.7	Very high	18 Å²	18	57.2 Å²	57.2	7%	0.068	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-63.6	-17.4	176.7	77.5	-178.9	63.1	-99.4	10.7	114.1	E373 W420 S421 D422 I425 S427 P428 R441	E373-R430 IonicContact OE1-CZ 3.83Å; E373-R430 IonicContact OE1-NE 2.96Å; E373-R430 PolarHBondContact OE1-NE 3.4Å; E373-R430 IonicContact OE1-NH2 3.85Å; E373-R430 WeakPolarHBondContact OE2-CD 3.41Å; E373-R430 IonicContact OE2-NE 3.33Å; E373-R430 PolarHBondContact OE2-NE 2.87Å; W420-R430 HydrophobicContact CZ3-CG 4.31Å; S421-R430 PolarHBondContact O-NH1 3.1Å; S421-R430 PolarHBondContact O-NH2 3.15Å; D422-R430 PolarHBondContact O-NH2 3.39Å; I425-R430 PolarHBondContact O-NH2 3.13Å; S427-R430 VanDerWaalsContact O-CG 3.26Å; S427-R430 WeakPolarHBondContact O-CG 3.31Å; S427-R430 PolarHBondContact O-N 3.27Å; S427-R430 PolarHBondContact O-NE 2.86Å; P428-R430 PolarHBondContact O-N 3.04Å; R430-R441 VanDerWaalsContact O-CZ 3.3Å; R430-R441 PolarHBondContact O-NE 3.37Å; R430-R441 PolarHBondContact O-NH2 3.49Å
431	F	98	Very high	96.6	Very high	1 Å²	1	61.5 Å²	61.5	0%	0.004	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-98.5	12.7	174.7	-70.2	-78.9	0	0	0	112.7	A369 H372 E373 R376 W420 P428 E429 F438 I439 R441 F444	A369-F431 HydrophobicContact CB-CB 3.77Å; H372-F431 HydrophobicContact CB-CD1 3.92Å; H372-F431 HydrophobicContact CB-CD2 3.92Å; H372-F431 HydrophobicContact CB-CE1 3.84Å; H372-F431 HydrophobicContact CB-CE2 3.84Å; H372-F431 HydrophobicContact CB-CG 3.96Å; H372-F431 HydrophobicContact CB-CZ 3.8Å; E373-F431 HydrophobicContact CB-CD2 4.2Å; E373-F431 HydrophobicContact CB-CE2 4.08Å; E373-F431 WeakPolarHBondContact OE2-CE2 3.43Å; R376-F431 HydrophobicContact CB-CE2 4.45Å; R376-F431 HydrophobicContact CB-CZ 4.26Å; W420-F431 AromaticContact CH2-CE1 3.79Å; W420-F431 HydrophobicContact CH2-CE1 3.79Å; W420-F431 HydrophobicContact CH2-CE2 4.43Å; W420-F431 AromaticContact CH2-CZ 3.48Å; W420-F431 HydrophobicContact CH2-CZ 3.48Å; W420-F431 VanDerWaalsContact CH2-CZ 3.48Å; W420-F431 HydrophobicContact CZ3-CE1 4.03Å; W420-F431 HydrophobicContact CZ3-CE2 4.17Å; W420-F431 AromaticContact CZ3-CZ 3.61Å; W420-F431 HydrophobicContact CZ3-CZ 3.61Å; P428-F431 PolarHBondContact O-N 3.41Å; E429-F431 PolarHBondContact O-N 2.75Å; E429-F431 VanDerWaalsContact O-N 3.12Å; F431-F438 HydrophobicContact CB-CD2 4.08Å; F431-F438 HydrophobicContact CB-CE2 3.78Å; F431-F438 HydrophobicContact CD1-CE2 4.1Å; F431-F438 HydrophobicContact CD1-CZ 4.38Å; F431-F438 HydrophobicContact CG-CE2 4.2Å; F431-F438 CarbonylContact O-C 3.49Å; F431-F438 WeakPolarHBondContact O-CA 3.22Å; F431-I439 VanDerWaalsContact C-CG1 3.46Å; F431-I439 WeakPolarHBondContact O-CG1 3.37Å; F431-I439 PolarHBondContact O-N 2.88Å; F431-R441 HydrophobicContact CD1-CG 3.96Å; F431-R441 HydrophobicContact CE1-CB 4.19Å; F431-R441 HydrophobicContact CE1-CG 3.79Å; F431-F444 HydrophobicContact CE1-CD2 4.05Å; F431-F444 HydrophobicContact CE1-CG 4.33Å; F431-F444 AromaticContact CZ-CD2 3.8Å; F431-F444 HydrophobicContact CZ-CD2 3.8Å; F431-F444 HydrophobicContact CZ-CE2 4.11Å
432	L	97.5	Very high	96.6	Very high	30 Å²	30	62.8 Å²	62.8	16%	0.157	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-117.5	145.2	176.7	-56.5	174	0	0	0	110.6	P365 Y366 A369 E429 N437	P365-L432 HydrophobicContact CB-CD2 4.14Å; Y366-L432 HydrophobicContact CD2-CD1 3.62Å; Y366-L432 HydrophobicContact CE2-CD1 4.08Å; A369-L432 HydrophobicContact CB-CD1 4.45Å; A369-L432 HydrophobicContact CB-CD2 3.78Å; A369-L432 HydrophobicContact CB-CG 3.97Å; E429-L432 PolarHBondContact O-N 3.23Å; L432-N437 CarbonylContact C-O 3.52Å; L432-N437 VanDerWaalsContact CA-O 3.27Å; L432-N437 WeakPolarHBondContact CA-O 3.38Å
433	D	96.3	Very high	96.6	Very high	56 Å²	56	57.4 Å²	57.4	30%	0.299	32%	0.316	S	S	.	.			trans	-82.4	178.2	165.8	70.4	15.6	0	0	0	111.5	S435 G436 N437 I439	D433-S435 PolarHBondContact O-N 3.43Å; D433-S435 VanDerWaalsContact O-N 3.14Å; D433-S435 VanDerWaalsContact OD1-C 3.31Å; D433-S435 VanDerWaalsContact OD1-CA 3.3Å; D433-S435 WeakPolarHBondContact OD1-CA 3.19Å; D433-S435 WeakPolarHBondContact OD1-CB 3.3Å; D433-S435 PolarHBondContact OD1-N 3.06Å; D433-G436 PolarHBondContact O-N 3.08Å; D433-G436 PolarHBondContact OD1-N 2.76Å; D433-N437 PolarHBondContact N-O 3.46Å; D433-N437 PolarHBondContact OD1-N 2.78Å; D433-N437 PolarHBondContact OD1-ND2 3.33Å; D433-N437 WeakPolarHBondContact OD2-CB 3.41Å; D433-N437 PolarHBondContact OD2-ND2 2.83Å; D433-N437 VanDerWaalsContact OD2-ND2 3.09Å; D433-I439 HydrophobicContact CB-CG2 3.87Å
434	S	95.1	Very high	96.6	Very high	129 Å²	129	57.3 Å²	57.3	90%	0.902	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.7	178.1	53.2	0	0	0	0	114.2
435	S	95.4	Very high	96.7	Very high	93 Å²	93	55.3 Å²	55.3	65%	0.65	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-0.3	178.6	-57.2	0	0	0	0	112.3	D433 N437	D433-S435 PolarHBondContact O-N 3.43Å; D433-S435 VanDerWaalsContact O-N 3.14Å; D433-S435 VanDerWaalsContact OD1-C 3.31Å; D433-S435 VanDerWaalsContact OD1-CA 3.3Å; D433-S435 WeakPolarHBondContact OD1-CA 3.19Å; D433-S435 WeakPolarHBondContact OD1-CB 3.3Å; D433-S435 PolarHBondContact OD1-N 3.06Å; S435-N437 WeakPolarHBondContact CB-ND2 3.32Å
436	G	94.1	Very high	96.7	Very high	34 Å²	34	51.8 Å²	51.8	35%	0.351	27%	0.274	S	S	.	.	S	Bend	trans	80.9	11	-178	0	0	0	0	0	114.5	P365 D433	P365-G436 WeakPolarHBondContact CB-O 3.35Å; P365-G436 WeakPolarHBondContact CG-O 3.29Å; D433-G436 PolarHBondContact O-N 3.08Å; D433-G436 PolarHBondContact OD1-N 2.76Å
437	N	96.1	Very high	96.7	Very high	89 Å²	89	52.2 Å²	52.2	48%	0.476	28%	0.276	S	S	.	.			trans	-81.1	146.8	175.2	-52.6	-62.3	0	0	0	110.8	L432 D433 S435 I439	L432-N437 CarbonylContact C-O 3.52Å; L432-N437 VanDerWaalsContact CA-O 3.27Å; L432-N437 WeakPolarHBondContact CA-O 3.38Å; D433-N437 PolarHBondContact N-O 3.46Å; D433-N437 PolarHBondContact OD1-N 2.78Å; D433-N437 PolarHBondContact OD1-ND2 3.33Å; D433-N437 WeakPolarHBondContact OD2-CB 3.41Å; D433-N437 PolarHBondContact OD2-ND2 2.83Å; D433-N437 VanDerWaalsContact OD2-ND2 3.09Å; S435-N437 WeakPolarHBondContact CB-ND2 3.32Å; N437-I439 PolarHBondContact O-N 3.33Å
438	F	97.3	Very high	96.8	Very high	47 Å²	47	51.8 Å²	51.8	21%	0.206	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-66.9	130.9	174.4	177.7	-96.2	0	0	0	111.7	P365 E368 A369 H372 F431 R440	P365-F438 HydrophobicContact CB-CB 3.94Å; E368-F438 HydrophobicContact CB-CD2 3.94Å; E368-F438 HydrophobicContact CB-CE2 4.34Å; E368-F438 HydrophobicContact CB-CG 4.25Å; E368-F438 HydrophobicContact CG-CD1 4.16Å; E368-F438 HydrophobicContact CG-CD2 3.7Å; E368-F438 HydrophobicContact CG-CE1 4.15Å; E368-F438 HydrophobicContact CG-CE2 3.69Å; E368-F438 HydrophobicContact CG-CG 3.95Å; E368-F438 HydrophobicContact CG-CZ 3.93Å; A369-F438 HydrophobicContact CB-CD2 4.32Å; H372-F438 HydrophobicContact CB-CE2 4.18Å; H372-F438 HydrophobicContact CB-CZ 4.49Å; H372-F438 AromaticContact CD2-CZ 3.6Å; H372-F438 AromaticContact CE1-CE2 3.87Å; H372-F438 AromaticContact CE1-CZ 3.37Å; H372-F438 WeakPolarHBondContact CE1-CZ 3.35Å; H372-F438 AromaticContact CG-CE2 3.71Å; H372-F438 AromaticContact CG-CZ 3.65Å; H372-F438 AromaticContact ND1-CE2 3.53Å; H372-F438 AromaticContact ND1-CZ 3.51Å; H372-F438 AromaticContact NE2-CZ 3.49Å; H372-F438 WeakPolarHBondContact NE2-CZ 3.35Å; F431-F438 HydrophobicContact CB-CD2 4.08Å; F431-F438 HydrophobicContact CB-CE2 3.78Å; F431-F438 HydrophobicContact CD1-CE2 4.1Å; F431-F438 HydrophobicContact CD1-CZ 4.38Å; F431-F438 HydrophobicContact CG-CE2 4.2Å; F431-F438 CarbonylContact O-C 3.49Å; F431-F438 WeakPolarHBondContact O-CA 3.22Å; F438-R440 HydrophobicContact CE1-CB 4.44Å
439	I	96.6	Very high	96.7	Very high	47 Å²	47	53.7 Å²	53.7	24%	0.241	28%	0.283	C	S	.	.			trans	-118.2	130.4	175.7	55.9	169.7	0	0	0	111.4	F431 D433 N437	F431-I439 VanDerWaalsContact C-CG1 3.46Å; F431-I439 WeakPolarHBondContact O-CG1 3.37Å; F431-I439 PolarHBondContact O-N 2.88Å; D433-I439 HydrophobicContact CB-CG2 3.87Å; N437-I439 PolarHBondContact O-N 3.33Å
440	R	94.3	Very high	96.7	Very high	181 Å²	181	51.3 Å²	51.3	68%	0.683	28%	0.277	S	S	*	.			trans	-80.2	130.7	175.1	-170.5	173.5	-178.5	152.8	2.1	110.1	F438	F438-R440 HydrophobicContact CE1-CB 4.44Å
441	R	96.8	Very high	96.7	Very high	97 Å²	97	56.4 Å²	56.4	37%	0.366	30%	0.296	S	S	.	.			trans	-95.1	136.4	174.7	-59.7	-64.7	-172	169.8	0.5	110.4	W420 R430 F431 A443 F444	W420-R441 HydrophobicContact CH2-CB 3.63Å; W420-R441 HydrophobicContact CH2-CG 3.8Å; W420-R441 HydrophobicContact CZ2-CB 4.23Å; W420-R441 HydrophobicContact CZ3-CB 4.13Å; W420-R441 HydrophobicContact CZ3-CG 3.79Å; R430-R441 VanDerWaalsContact O-CZ 3.3Å; R430-R441 PolarHBondContact O-NE 3.37Å; R430-R441 PolarHBondContact O-NH2 3.49Å; F431-R441 HydrophobicContact CD1-CG 3.96Å; F431-R441 HydrophobicContact CE1-CB 4.19Å; F431-R441 HydrophobicContact CE1-CG 3.79Å; R441-A443 VanDerWaalsContact C-N 3.34Å; R441-A443 PolarHBondContact O-N 3.3Å; R441-F444 HydrophobicContact CB-CB 4.23Å; R441-F444 VanDerWaalsContact O-CB 3.27Å; R441-F444 WeakPolarHBondContact O-CB 3.44Å; R441-F444 PolarHBondContact O-N 3.45Å
442	E	95.7	Very high	96.7	Very high	110 Å²	110	57 Å²	57	51%	0.514	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-33.7	-179.1	68.3	173.2	155.9	0	0	112.9	Y96 K100 Y419 F444	Y96-E442 HydrophobicContact CE1-CG 4.02Å; Y96-E442 WeakPolarHBondContact CE2-O 3.32Å; Y96-E442 PolarHBondContact OH-O 2.94Å; Y96-E442 PolarHBondContact OH-OE2 3.19Å; K100-E442 IonicContact NZ-OE2 3.31Å; Y419-E442 HydrophobicContact CD1-CG 4.39Å; Y419-E442 HydrophobicContact CE1-CG 4.38Å; Y419-E442 WeakPolarHBondContact CE1-OE1 3.18Å; E442-F444 PolarHBondContact O-N 2.87Å
443	A	97.6	Very high	96.7	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.008	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	14.4	177.1	0	0	0	0	0	113.3	Y96 V413 H414 Y419 W420 R441	Y96-A443 HydrophobicContact CD2-CB 3.87Å; Y96-A443 HydrophobicContact CE2-CB 4.41Å; Y96-A443 HydrophobicContact CG-CB 3.97Å; V413-A443 HydrophobicContact CG1-CB 4.37Å; V413-A443 WeakPolarHBondContact CG1-O 3.14Å; H414-A443 PolarHBondContact CD2-O 3.44Å; Y419-A443 HydrophobicContact CD1-CB 3.95Å; Y419-A443 HydrophobicContact CD2-CB 4.32Å; Y419-A443 HydrophobicContact CG-CB 3.68Å; W420-A443 HydrophobicContact CZ2-CB 4.32Å; W420-A443 WeakPolarHBondContact CZ2-O 3.18Å; R441-A443 VanDerWaalsContact C-N 3.34Å; R441-A443 PolarHBondContact O-N 3.3Å
444	F	98.3	Very high	96.8	Very high	9 Å²	9	59 Å²	59	4%	0.039	31%	0.309	C	S	.	.			trans	-92.5	95.8	174.8	-177.9	-104.4	0	0	0	110.6	H372 L375 R376 W420 F431 R441 E442 P446	H372-F444 HydrophobicContact CB-CE2 4.18Å; H372-F444 HydrophobicContact CB-CZ 4.04Å; H372-F444 AromaticContact CD2-CD1 3.74Å; H372-F444 AromaticContact CD2-CE1 3.17Å; H372-F444 WeakPolarHBondContact CD2-CE1 3.28Å; H372-F444 AromaticContact CD2-CZ 3.32Å; H372-F444 WeakPolarHBondContact CD2-CZ 3.41Å; H372-F444 AromaticContact CG-CZ 3.9Å; H372-F444 AromaticContact NE2-CE1 3.73Å; H372-F444 VanDerWaalsContact O-CE2 3.23Å; H372-F444 WeakPolarHBondContact O-CE2 3.44Å; L375-F444 HydrophobicContact CB-CE2 3.93Å; L375-F444 HydrophobicContact CB-CZ 3.76Å; L375-F444 HydrophobicContact CD1-CZ 3.82Å; L375-F444 HydrophobicContact CG-CZ 4.47Å; R376-F444 HydrophobicContact CB-CD2 4.16Å; R376-F444 HydrophobicContact CB-CE2 4.04Å; W420-F444 HydrophobicContact CH2-CB 4.21Å; W420-F444 HydrophobicContact CH2-CD2 4.36Å; W420-F444 HydrophobicContact CZ2-CB 4.25Å; F431-F444 HydrophobicContact CE1-CD2 4.05Å; F431-F444 HydrophobicContact CE1-CG 4.33Å; F431-F444 AromaticContact CZ-CD2 3.8Å; F431-F444 HydrophobicContact CZ-CD2 3.8Å; F431-F444 HydrophobicContact CZ-CE2 4.11Å; R441-F444 HydrophobicContact CB-CB 4.23Å; R441-F444 VanDerWaalsContact O-CB 3.27Å; R441-F444 WeakPolarHBondContact O-CB 3.44Å; R441-F444 PolarHBondContact O-N 3.45Å; E442-F444 PolarHBondContact O-N 2.87Å; F444-P446 HydrophobicContact CD1-CG 4.12Å; F444-P446 HydrophobicContact CD2-CG 4.46Å; F444-P446 HydrophobicContact CE1-CG 3.5Å; F444-P446 HydrophobicContact CE2-CG 3.9Å; F444-P446 HydrophobicContact CZ-CG 3.42Å; F444-P446 VanDerWaalsContact CZ-CG 3.42Å
445	L	98.1	Very high	96.9	Very high	11 Å²	11	54.7 Å²	54.7	6%	0.058	28%	0.277	C	S	.	.			trans	-123.9	42.7	-171.5	-56.4	-174.3	0	0	0	114.9	Y96 V99 L410 V413 H414 F447 S448 L449	Y96-L445 HydrophobicContact CD2-CD1 3.86Å; Y96-L445 HydrophobicContact CD2-CG 4.4Å; Y96-L445 HydrophobicContact CE2-CD1 3.94Å; Y96-L445 HydrophobicContact CE2-CD2 4.41Å; Y96-L445 HydrophobicContact CE2-CG 4.31Å; V99-L445 HydrophobicContact CG1-CD1 4.28Å; L410-L445 HydrophobicContact CD2-CB 4.42Å; V413-L445 HydrophobicContact CG1-CD1 4.05Å; V413-L445 HydrophobicContact CG1-CG 4.28Å; H414-L445 PolarHBondContact NE2-N 3.18Å; L445-F447 PolarHBondContact O-N 2.66Å; L445-F447 VanDerWaalsContact O-N 3.15Å; L445-S448 PolarHBondContact O-N 3.14Å; L445-S448 VanDerWaalsContact O-N 3.09Å; L445-L449 HydrophobicContact CD1-CD1 3.38Å; L445-L449 HydrophobicContact CD1-CG 3.78Å; L445-L449 HydrophobicContact CD2-CD1 3.73Å; L445-L449 HydrophobicContact CD2-CD2 3.62Å; L445-L449 HydrophobicContact CD2-CG 3.57Å; L445-L449 HydrophobicContact CG-CD1 4.2Å; L445-L449 HydrophobicContact CG-CG 4.24Å
446	P	98	Very high	96.9	Very high	24 Å²	24	50.9 Å²	50.9	16%	0.156	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-20.4	179.3	30.4	-37.6	0	0	0	113.3	L375 F444	L375-P446 HydrophobicContact CB-CB 4.09Å; L375-P446 HydrophobicContact CB-CG 4.14Å; L375-P446 HydrophobicContact CD1-CG 4.26Å; L375-P446 HydrophobicContact CD2-CB 4.39Å; F444-P446 HydrophobicContact CD1-CG 4.12Å; F444-P446 HydrophobicContact CD2-CG 4.46Å; F444-P446 HydrophobicContact CE1-CG 3.5Å; F444-P446 HydrophobicContact CE2-CG 3.9Å; F444-P446 HydrophobicContact CZ-CG 3.42Å; F444-P446 VanDerWaalsContact CZ-CG 3.42Å
447	F	98.3	Very high	97	Very high	25 Å²	25	51.4 Å²	51.4	11%	0.11	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	15.3	178.5	-61.6	-70.1	0	0	0	113.4	L375 L445 C454 E457 A460 R461 M464	L375-F447 HydrophobicContact CD1-CE2 4.2Å; L375-F447 HydrophobicContact CD1-CZ 4.37Å; L445-F447 PolarHBondContact O-N 2.66Å; L445-F447 VanDerWaalsContact O-N 3.15Å; F447-C454 HydrophobicContact CB-CB 3.76Å; F447-C454 HydrophobicContact CD1-CB 3.71Å; F447-C454 HydrophobicContact CG-CB 4.17Å; F447-C454 PolarHBondContact O-N 3.04Å; F447-E457 HydrophobicContact CB-CB 4.32Å; F447-E457 HydrophobicContact CB-CG 4.27Å; F447-E457 HydrophobicContact CD1-CB 4.05Å; F447-E457 HydrophobicContact CD1-CG 4.18Å; F447-E457 HydrophobicContact CD2-CB 4.34Å; F447-E457 HydrophobicContact CD2-CG 3.59Å; F447-E457 HydrophobicContact CE1-CB 4.49Å; F447-E457 HydrophobicContact CE1-CG 4.46Å; F447-E457 HydrophobicContact CE2-CG 3.94Å; F447-E457 HydrophobicContact CG-CB 3.97Å; F447-E457 HydrophobicContact CG-CG 3.74Å; F447-E457 HydrophobicContact CZ-CG 4.35Å; F447-A460 HydrophobicContact CE1-CB 4.14Å; F447-A460 HydrophobicContact CZ-CB 4.35Å; F447-R461 HydrophobicContact CE2-CG 4.38Å; F447-M464 HydrophobicContact CZ-CE 3.95Å
448	S	98	Very high	97	Very high	18 Å²	18	52.6 Å²	52.6	13%	0.126	25%	0.249	C	C	.	.			trans	60.3	-166.7	-174.6	-162	0	0	0	0	112.8	R387 L445	R387-S448 PolarHBondContact NH2-OG 3.23Å; L445-S448 PolarHBondContact O-N 3.14Å; L445-S448 VanDerWaalsContact O-N 3.09Å
449	L	96.2	Very high	96.9	Very high	40 Å²	40	50.8 Å²	50.8	21%	0.209	24%	0.241	C	C	.	.			trans	-138.8	170.8	179.8	-76.6	178.9	0	0	0	111.3	L103 L445	L103-L449 HydrophobicContact CB-CB 4.01Å; L103-L449 HydrophobicContact CD1-CB 4.29Å; L445-L449 HydrophobicContact CD1-CD1 3.38Å; L445-L449 HydrophobicContact CD1-CG 3.78Å; L445-L449 HydrophobicContact CD2-CD1 3.73Å; L445-L449 HydrophobicContact CD2-CD2 3.62Å; L445-L449 HydrophobicContact CD2-CG 3.57Å; L445-L449 HydrophobicContact CG-CD1 4.2Å; L445-L449 HydrophobicContact CG-CG 4.24Å
450	G	96.7	Very high	96.9	Very high	18 Å²	18	48.9 Å²	48.9	19%	0.186	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	81	-162	170.1	0	0	0	0	0	114.3	L103 R452 H453	L103-G450 WeakPolarHBondContact O-CA 3.48Å; G450-R452 PolarHBondContact O-N 3.35Å; G450-H453 PolarHBondContact O-N 2.85Å; G450-H453 PolarHBondContact O-ND1 2.87Å
451	R	96.9	Very high	97	Very high	125 Å²	125	42.4 Å²	42.4	47%	0.472	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-53.9	-28.9	-179.2	-68	-60.7	-173.9	-168.6	0.7	113.5	E108 A111 Y133 W137	E108-R451 IonicContact OE1-CZ 3.65Å; E108-R451 IonicContact OE1-NE 2.62Å; E108-R451 PolarHBondContact OE1-NE 3.35Å; E108-R451 IonicContact OE1-NH2 2.94Å; E108-R451 PolarHBondContact OE1-NH2 3.01Å; A111-R451 HydrophobicContact CB-CB 4.01Å; A111-R451 HydrophobicContact CB-CG 4.32Å; Y133-R451 HydrophobicContact CE2-CB 4.37Å; Y133-R451 HydrophobicContact CE2-CG 4.43Å; W137-R451 HydrophobicContact CH2-CB 4.05Å; W137-R451 WeakPolarHBondContact CH2-O 3.27Å; W137-R451 VanDerWaalsContact CZ2-O 3.3Å; W137-R451 WeakPolarHBondContact CZ2-O 3.42Å
452	R	97.8	Very high	96.9	Very high	14 Å²	14	38.5 Å²	38.5	5%	0.053	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-114.3	28.4	-173	-62.7	-96.1	-166.1	161	9.8	112.7	A111 L128 C131 W137 R387 G450	A111-R452 HydrophobicContact CB-CG 4.45Å; A111-R452 VanDerWaalsContact O-CZ 3.32Å; A111-R452 PolarHBondContact O-NE 2.9Å; A111-R452 PolarHBondContact O-NH2 3.42Å; L128-R452 PolarHBondContact O-NH1 2.87Å; C131-R452 VanDerWaalsContact O-CZ 3.22Å; C131-R452 PolarHBondContact O-NH1 3.02Å; C131-R452 PolarHBondContact O-NH2 3.35Å; W137-R452 VanDerWaalsContact CD1-CZ 3.46Å; W137-R452 VanDerWaalsContact CE2-CD 3.49Å; W137-R452 HydrophobicContact CZ2-CG 4.01Å; R387-R452 PolarHBondContact NH2-O 3.11Å; G450-R452 PolarHBondContact O-N 3.35Å
453	H	97.4	Very high	97	Very high	81 Å²	81	33.4 Å²	33.4	38%	0.375	17%	0.171	S	C	.	.	S	Bend	trans	-58	159.4	165.7	69.2	-83.3	0	0	0	110.2	R141 G450 V455	R141-H453 VanDerWaalsContact CZ-O 3.28Å; R141-H453 PolarHBondContact NH1-O 2.96Å; R141-H453 PolarHBondContact NH2-NE2 3.22Å; R141-H453 PolarHBondContact NH2-O 3.12Å; G450-H453 PolarHBondContact O-N 2.85Å; G450-H453 PolarHBondContact O-ND1 2.87Å; H453-V455 PolarHBondContact O-N 3.28Å
454	C	98.4	Very high	97	Very high	46 Å²	46	33.6 Å²	33.6	31%	0.311	17%	0.171	S	C	.	.			trans	-52.7	131.7	-174.8	-173.1	0	0	0	0	112.3	R141 F447 G456 E457	R141-C454 PolarHBondContact NH2-O 3.05Å; F447-C454 HydrophobicContact CB-CB 3.76Å; F447-C454 HydrophobicContact CD1-CB 3.71Å; F447-C454 HydrophobicContact CG-CB 4.17Å; F447-C454 PolarHBondContact O-N 3.04Å; C454-G456 VanDerWaalsContact C-N 3.33Å; C454-G456 PolarHBondContact SG-N 2.91Å; C454-G456 VanDerWaalsContact SG-N 3.4Å; C454-E457 HydrophobicContact CB-CB 4.24Å
455	V	96.6	Very high	97	Very high	38 Å²	38	33.2 Å²	33.2	23%	0.23	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-32	175.9	67.1	0	0	0	0	111.8	A144 L311 H453	A144-V455 HydrophobicContact CB-CG2 4.14Å; L311-V455 HydrophobicContact CD2-CG1 3.96Å; H453-V455 PolarHBondContact O-N 3.28Å
456	G	96.3	Very high	97	Very high	14 Å²	14	32.7 Å²	32.7	14%	0.144	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	14.9	-174.6	0	0	0	0	0	114.5	C454 Q458 L459 A460	C454-G456 VanDerWaalsContact C-N 3.33Å; C454-G456 PolarHBondContact SG-N 2.91Å; C454-G456 VanDerWaalsContact SG-N 3.4Å; G456-Q458 VanDerWaalsContact C-N 3.3Å; G456-Q458 PolarHBondContact O-N 2.99Å; G456-L459 PolarHBondContact O-N 3.42Å; G456-L459 VanDerWaalsContact O-N 3.17Å; G456-A460 WeakPolarHBondContact O-CB 3.48Å; G456-A460 PolarHBondContact O-N 2.85Å
457	E	96.4	Very high	97.1	Very high	44 Å²	44	31.6 Å²	31.6	21%	0.206	16%	0.16	C	C	.	.	H	α-helix	trans	-53.9	-46.4	-175.7	172.9	171.9	-176.4	0	0	112.1	F447 C454 R461	F447-E457 HydrophobicContact CB-CB 4.32Å; F447-E457 HydrophobicContact CB-CG 4.27Å; F447-E457 HydrophobicContact CD1-CB 4.05Å; F447-E457 HydrophobicContact CD1-CG 4.18Å; F447-E457 HydrophobicContact CD2-CB 4.34Å; F447-E457 HydrophobicContact CD2-CG 3.59Å; F447-E457 HydrophobicContact CE1-CB 4.49Å; F447-E457 HydrophobicContact CE1-CG 4.46Å; F447-E457 HydrophobicContact CE2-CG 3.94Å; F447-E457 HydrophobicContact CG-CB 3.97Å; F447-E457 HydrophobicContact CG-CG 3.74Å; F447-E457 HydrophobicContact CZ-CG 4.35Å; C454-E457 HydrophobicContact CB-CB 4.24Å; E457-R461 WeakPolarHBondContact O-CB 3.03Å; E457-R461 VanDerWaalsContact O-CG 3.3Å; E457-R461 WeakPolarHBondContact O-CG 3.49Å; E457-R461 PolarHBondContact O-N 3.4Å; E457-R461 IonicContact OE1-CZ 2.65Å; E457-R461 VanDerWaalsContact OE1-CZ 3.31Å; E457-R461 IonicContact OE1-NE 3.21Å; E457-R461 PolarHBondContact OE1-NE 3.42Å; E457-R461 IonicContact OE1-NH2 3.81Å; E457-R461 PolarHBondContact OE1-NH2 2.85Å
458	Q	94.8	Very high	97.1	Very high	115 Å²	115	30.7 Å²	30.7	54%	0.537	16%	0.156	S	C	.	.	H	α-helix	trans	-62.4	-46.6	-179.6	-176.2	174.2	1.3	0	0	111.4	G456 R461 M462	G456-Q458 VanDerWaalsContact C-N 3.3Å; G456-Q458 PolarHBondContact O-N 2.99Å; Q458-R461 PolarHBondContact O-N 3.22Å; Q458-M462 HydrophobicContact CG-SD 4.3Å; Q458-M462 VanDerWaalsContact O-CG 3.32Å; Q458-M462 WeakPolarHBondContact O-CG 3.43Å; Q458-M462 PolarHBondContact O-N 2.92Å; Q458-M462 VanDerWaalsContact O-N 3.15Å
459	L	95.4	Very high	97.1	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.042	15%	0.15	C	C	.	.	H	α-helix	trans	-63.4	-48.5	179.4	-179.3	61.1	0	0	0	111.4	F148 F158 I194 G456 R461 M462 E463	F148-L459 HydrophobicContact CD1-CB 4.46Å; F148-L459 HydrophobicContact CD1-CD2 3.73Å; F148-L459 HydrophobicContact CE1-CD2 3.62Å; F158-L459 HydrophobicContact CE1-CD1 3.5Å; F158-L459 HydrophobicContact CZ-CD1 4.1Å; I194-L459 HydrophobicContact CG2-CD1 3.86Å; I194-L459 HydrophobicContact CG2-CD2 4.47Å; I194-L459 HydrophobicContact CG2-CG 4.46Å; G456-L459 PolarHBondContact O-N 3.42Å; G456-L459 VanDerWaalsContact O-N 3.17Å; L459-R461 VanDerWaalsContact C-N 3.27Å; L459-R461 PolarHBondContact O-N 3.01Å; L459-M462 WeakPolarHBondContact O-CB 3.26Å; L459-M462 PolarHBondContact O-N 2.67Å; L459-E463 HydrophobicContact CD1-CG 4.4Å; L459-E463 HydrophobicContact CG-CG 4.48Å; L459-E463 WeakPolarHBondContact CG-OE1 3.26Å; L459-E463 WeakPolarHBondContact O-CG 3.35Å; L459-E463 PolarHBondContact O-N 3.09Å
460	A	97	Very high	97.1	Very high	8 Å²	8	28.1 Å²	28.1	7%	0.066	14%	0.141	C	C	.	.	H	α-helix	trans	-57.7	-40.8	178.2	0	0	0	0	0	111.6	F447 G456 M462 E463 M464	F447-A460 HydrophobicContact CE1-CB 4.14Å; F447-A460 HydrophobicContact CZ-CB 4.35Å; G456-A460 WeakPolarHBondContact O-CB 3.48Å; G456-A460 PolarHBondContact O-N 2.85Å; A460-M462 PolarHBondContact O-N 3.42Å; A460-E463 PolarHBondContact O-N 2.91Å; A460-M464 HydrophobicContact CB-CE 4.39Å; A460-M464 VanDerWaalsContact O-CB 3.31Å; A460-M464 WeakPolarHBondContact O-CB 3.46Å; A460-M464 VanDerWaalsContact O-CE 3.32Å; A460-M464 WeakPolarHBondContact O-CE 3.39Å; A460-M464 WeakPolarHBondContact O-CG 3.31Å; A460-M464 PolarHBondContact O-N 3.46Å
461	R	96.7	Very high	97.2	Very high	44 Å²	44	27.5 Å²	27.5	17%	0.166	13%	0.134	C	C	.	.	H	α-helix	trans	-63.8	-38.4	176.1	-73.5	176.1	-179.1	-81.8	6.4	112.9	H372 F447 E457 Q458 L459 M464 F465	H372-R461 PolarHBondContact CE1-NH1 2.99Å; H372-R461 PolarHBondContact NE2-NH1 2.92Å; F447-R461 HydrophobicContact CE2-CG 4.38Å; E457-R461 WeakPolarHBondContact O-CB 3.03Å; E457-R461 VanDerWaalsContact O-CG 3.3Å; E457-R461 WeakPolarHBondContact O-CG 3.49Å; E457-R461 PolarHBondContact O-N 3.4Å; E457-R461 IonicContact OE1-CZ 2.65Å; E457-R461 VanDerWaalsContact OE1-CZ 3.31Å; E457-R461 IonicContact OE1-NE 3.21Å; E457-R461 PolarHBondContact OE1-NE 3.42Å; E457-R461 IonicContact OE1-NH2 3.81Å; E457-R461 PolarHBondContact OE1-NH2 2.85Å; Q458-R461 PolarHBondContact O-N 3.22Å; L459-R461 VanDerWaalsContact C-N 3.27Å; L459-R461 PolarHBondContact O-N 3.01Å; R461-M464 HydrophobicContact CB-CE 4.36Å; R461-M464 HydrophobicContact CG-CE 3.95Å; R461-F465 WeakPolarHBondContact O-CB 3.35Å; R461-F465 PolarHBondContact O-N 3.37Å; R461-F465 VanDerWaalsContact O-N 3.15Å
462	M	95.4	Very high	97.2	Very high	16 Å²	16	21.6 Å²	21.6	8%	0.079	11%	0.111	C	C	.	.	H	α-helix	trans	-65	-49.7	175	-64.5	162.9	66.4	0	0	110.7	F158 I162 L358 Q458 L459 A460 F465 L466	F158-M462 HydrophobicContact CD1-CE 4.38Å; I162-M462 HydrophobicContact CD1-CB 4.23Å; I162-M462 HydrophobicContact CD1-CE 3.98Å; L358-M462 HydrophobicContact CD1-CB 4.22Å; L358-M462 HydrophobicContact CD1-CE 3.38Å; L358-M462 HydrophobicContact CD1-CG 3.71Å; L358-M462 HydrophobicContact CD1-SD 4.19Å; L358-M462 HydrophobicContact CD2-CB 3.89Å; L358-M462 HydrophobicContact CD2-CG 3.9Å; L358-M462 HydrophobicContact CG-CG 4.49Å; Q458-M462 HydrophobicContact CG-SD 4.3Å; Q458-M462 VanDerWaalsContact O-CG 3.32Å; Q458-M462 WeakPolarHBondContact O-CG 3.43Å; Q458-M462 PolarHBondContact O-N 2.92Å; Q458-M462 VanDerWaalsContact O-N 3.15Å; L459-M462 WeakPolarHBondContact O-CB 3.26Å; L459-M462 PolarHBondContact O-N 2.67Å; A460-M462 PolarHBondContact O-N 3.42Å; M462-F465 PolarHBondContact O-N 2.91Å; M462-L466 WeakPolarHBondContact O-CB 3.4Å; M462-L466 WeakPolarHBondContact O-CG 3.44Å; M462-L466 PolarHBondContact O-N 2.93Å
463	E	97.2	Very high	97.1	Very high	2 Å²	2	21 Å²	21	1%	0.009	11%	0.109	C	C	.	.	H	α-helix	trans	-59	-52.7	178.3	-70.7	-176	-107.8	0	0	111.6	I194 T319 L459 A460 F465 L466 F467	I194-E463 HydrophobicContact CB-CG 4.23Å; I194-E463 HydrophobicContact CG1-CG 4.2Å; I194-E463 HydrophobicContact CG2-CG 3.81Å; T319-E463 HydrophobicContact CG2-CB 3.91Å; L459-E463 HydrophobicContact CD1-CG 4.4Å; L459-E463 HydrophobicContact CG-CG 4.48Å; L459-E463 WeakPolarHBondContact CG-OE1 3.26Å; L459-E463 WeakPolarHBondContact O-CG 3.35Å; L459-E463 PolarHBondContact O-N 3.09Å; A460-E463 PolarHBondContact O-N 2.91Å; E463-F465 VanDerWaalsContact C-N 3.29Å; E463-F465 PolarHBondContact O-N 3.45Å; E463-L466 PolarHBondContact O-N 3.31Å; E463-F467 HydrophobicContact CB-CD2 4.06Å; E463-F467 HydrophobicContact CB-CE2 4.26Å; E463-F467 HydrophobicContact CG-CE2 4.4Å; E463-F467 VanDerWaalsContact O-CB 3.31Å; E463-F467 WeakPolarHBondContact O-CB 3.5Å; E463-F467 VanDerWaalsContact O-CD2 3.25Å; E463-F467 WeakPolarHBondContact O-CD2 3.5Å; E463-F467 PolarHBondContact O-N 2.71Å
464	M	98.2	Very high	97	Very high	5 Å²	5	19.5 Å²	19.5	3%	0.025	10%	0.1	C	C	.	.	H	α-helix	trans	-55.4	-46.4	179.8	-74.9	-177.9	-62.3	0	0	111.4	T319 T322 L371 L375 F447 A460 R461 F468	T319-M464 HydrophobicContact CG2-CG 4.27Å; T322-M464 HydrophobicContact CG2-CG 4.14Å; T322-M464 HydrophobicContact CG2-SD 3.46Å; T322-M464 WeakPolarHBondContact CG2-SD 3.26Å; L371-M464 HydrophobicContact CD2-CB 4.36Å; L375-M464 HydrophobicContact CD1-CE 3.91Å; L375-M464 HydrophobicContact CD1-SD 4.02Å; L375-M464 HydrophobicContact CD2-SD 4.01Å; L375-M464 HydrophobicContact CG-SD 4.26Å; F447-M464 HydrophobicContact CZ-CE 3.95Å; A460-M464 HydrophobicContact CB-CE 4.39Å; A460-M464 VanDerWaalsContact O-CB 3.31Å; A460-M464 WeakPolarHBondContact O-CB 3.46Å; A460-M464 VanDerWaalsContact O-CE 3.32Å; A460-M464 WeakPolarHBondContact O-CE 3.39Å; A460-M464 WeakPolarHBondContact O-CG 3.31Å; A460-M464 PolarHBondContact O-N 3.46Å; R461-M464 HydrophobicContact CB-CE 4.36Å; R461-M464 HydrophobicContact CG-CE 3.95Å; M464-F468 WeakPolarHBondContact O-CB 3.1Å; M464-F468 PolarHBondContact O-N 3.21Å; M464-F468 VanDerWaalsContact O-N 3.09Å
465	F	98.2	Very high	96.9	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.009	9%	0.085	C	C	.	.	H	α-helix	trans	-63.5	-58.3	178.9	-179.6	-98.9	0	0	0	111.1	S357 L358 D360 K361 M364 V367 L371 R461 M462 E463 F467 F468 T469	S357-F465 WeakPolarHBondContact O-CE1 3.24Å; L358-F465 HydrophobicContact CD2-CD1 4.25Å; D360-F465 HydrophobicContact CB-CZ 4.35Å; K361-F465 VanDerWaalsContact CA-CZ 3.43Å; K361-F465 HydrophobicContact CB-CD1 4.44Å; K361-F465 HydrophobicContact CB-CD2 4.31Å; K361-F465 HydrophobicContact CB-CE1 4.08Å; K361-F465 HydrophobicContact CB-CE2 3.94Å; K361-F465 HydrophobicContact CB-CZ 3.81Å; K361-F465 HydrophobicContact CG-CD2 3.96Å; K361-F465 HydrophobicContact CG-CE2 3.91Å; K361-F465 HydrophobicContact CG-CG 4.4Å; K361-F465 HydrophobicContact CG-CZ 4.31Å; M364-F465 HydrophobicContact CB-CE2 4.38Å; M364-F465 HydrophobicContact SD-CE2 3.99Å; M364-F465 HydrophobicContact SD-CZ 3.69Å; V367-F465 HydrophobicContact CG1-CD2 4.03Å; V367-F465 HydrophobicContact CG1-CE2 3.92Å; L371-F465 HydrophobicContact CD1-CB 4.33Å; L371-F465 HydrophobicContact CD1-CD2 4.37Å; R461-F465 WeakPolarHBondContact O-CB 3.35Å; R461-F465 PolarHBondContact O-N 3.37Å; R461-F465 VanDerWaalsContact O-N 3.15Å; M462-F465 PolarHBondContact O-N 2.91Å; E463-F465 VanDerWaalsContact C-N 3.29Å; E463-F465 PolarHBondContact O-N 3.45Å; F465-F467 PolarHBondContact O-N 3.28Å; F465-F468 PolarHBondContact O-N 3.48Å; F465-T469 HydrophobicContact CD2-CG2 4.03Å; F465-T469 HydrophobicContact CE1-CG2 4.22Å; F465-T469 HydrophobicContact CE2-CG2 3.7Å; F465-T469 HydrophobicContact CG-CG2 4.43Å; F465-T469 HydrophobicContact CZ-CG2 3.81Å; F465-T469 WeakPolarHBondContact O-CB 3.43Å; F465-T469 WeakPolarHBondContact O-CG2 3.35Å; F465-T469 PolarHBondContact O-N 2.72Å; F465-T469 PolarHBondContact O-OG1 3.5Å
466	L	98.1	Very high	96.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.3	-44.5	-173.4	-68	171.7	0	0	0	112.7	E159 I162 P356 L358 M462 E463 T469 T470	E159-L466 HydrophobicContact CG-CD1 4.17Å; I162-L466 HydrophobicContact CB-CD1 3.89Å; I162-L466 HydrophobicContact CD1-CD1 4.12Å; I162-L466 HydrophobicContact CG2-CB 4.06Å; I162-L466 HydrophobicContact CG2-CD1 3.62Å; I162-L466 HydrophobicContact CG2-CG 4.5Å; P356-L466 HydrophobicContact CB-CD2 4.35Å; L358-L466 HydrophobicContact CD2-CD1 3.93Å; L358-L466 HydrophobicContact CD2-CD2 4.21Å; L358-L466 HydrophobicContact CD2-CG 3.87Å; L358-L466 HydrophobicContact CG-CD1 4.13Å; L358-L466 HydrophobicContact CG-CD2 4.41Å; L358-L466 HydrophobicContact CG-CG 4.4Å; M462-L466 WeakPolarHBondContact O-CB 3.4Å; M462-L466 WeakPolarHBondContact O-CG 3.44Å; M462-L466 PolarHBondContact O-N 2.93Å; E463-L466 PolarHBondContact O-N 3.31Å; L466-T469 PolarHBondContact O-OG1 2.94Å; L466-T470 WeakPolarHBondContact O-CB 3.14Å; L466-T470 PolarHBondContact O-N 3.37Å; L466-T470 PolarHBondContact O-OG1 2.91Å
467	F	98.6	Very high	96.9	Very high	1 Å²	1	17.7 Å²	17.7	0%	0.004	8%	0.081	C	C	.	.	H	α-helix	trans	-64.6	-47.6	176.5	-79.7	-66.2	0	0	0	111.1	I162 E165 C166 L169 A190 V191 I194 L323 E463 F465 T470 L471	I162-F467 HydrophobicContact CG2-CE2 4.47Å; E165-F467 HydrophobicContact CB-CZ 4.47Å; E165-F467 HydrophobicContact CG-CZ 4.24Å; C166-F467 HydrophobicContact CB-CD1 4.22Å; C166-F467 HydrophobicContact CB-CE1 4.28Å; C166-F467 WeakPolarHBondContact SG-CD1 3.23Å; C166-F467 VanDerWaalsContact SG-CE1 3.6Å; L169-F467 HydrophobicContact CD2-CD1 3.72Å; L169-F467 HydrophobicContact CD2-CE1 3.97Å; A190-F467 HydrophobicContact CB-CE1 3.73Å; A190-F467 HydrophobicContact CB-CZ 3.83Å; V191-F467 HydrophobicContact CG2-CE2 4.33Å; I194-F467 HydrophobicContact CD1-CZ 4.36Å; I194-F467 HydrophobicContact CG1-CE2 3.93Å; I194-F467 HydrophobicContact CG1-CZ 4.08Å; L323-F467 HydrophobicContact CD1-CB 3.73Å; L323-F467 HydrophobicContact CD1-CD2 3.95Å; L323-F467 HydrophobicContact CD1-CG 3.96Å; L323-F467 HydrophobicContact CD2-CB 3.9Å; E463-F467 HydrophobicContact CB-CD2 4.06Å; E463-F467 HydrophobicContact CB-CE2 4.26Å; E463-F467 HydrophobicContact CG-CE2 4.4Å; E463-F467 VanDerWaalsContact O-CB 3.31Å; E463-F467 WeakPolarHBondContact O-CB 3.5Å; E463-F467 VanDerWaalsContact O-CD2 3.25Å; E463-F467 WeakPolarHBondContact O-CD2 3.5Å; E463-F467 PolarHBondContact O-N 2.71Å; F465-F467 PolarHBondContact O-N 3.28Å; F467-T470 PolarHBondContact O-N 2.92Å; F467-L471 VanDerWaalsContact O-CB 3.28Å; F467-L471 WeakPolarHBondContact O-CB 3.34Å; F467-L471 WeakPolarHBondContact O-CD1 3.35Å; F467-L471 WeakPolarHBondContact O-CG 3.33Å; F467-L471 PolarHBondContact O-N 3.44Å
468	F	98.6	Very high	96.9	Very high	6 Å²	6	19.3 Å²	19.3	3%	0.026	9%	0.088	C	C	.	.	H	α-helix	trans	-63	-48.3	-178.3	-178.8	-98.7	0	0	0	112.1	L323 A326 M330 V342 V367 V370 L371 I374 M464 F465 L471 L472	L323-F468 HydrophobicContact CD2-CB 4.35Å; A326-F468 HydrophobicContact CB-CD2 3.75Å; A326-F468 HydrophobicContact CB-CE2 3.84Å; M330-F468 HydrophobicContact CG-CE2 3.67Å; M330-F468 HydrophobicContact CG-CZ 3.93Å; M330-F468 HydrophobicContact SD-CE2 4.15Å; M330-F468 HydrophobicContact SD-CZ 3.78Å; V342-F468 HydrophobicContact CG1-CE1 4.09Å; V342-F468 HydrophobicContact CG1-CZ 4.46Å; V367-F468 HydrophobicContact CG1-CD1 3.88Å; V367-F468 HydrophobicContact CG1-CE1 4.03Å; V370-F468 HydrophobicContact CG1-CE1 4.34Å; V370-F468 HydrophobicContact CG1-CE2 4.44Å; V370-F468 HydrophobicContact CG1-CZ 3.72Å; L371-F468 HydrophobicContact CD1-CD1 4.44Å; L371-F468 HydrophobicContact CD2-CB 3.96Å; L371-F468 HydrophobicContact CD2-CD1 4.15Å; L371-F468 HydrophobicContact CD2-CD2 4.07Å; L371-F468 HydrophobicContact CD2-CG 3.82Å; L371-F468 HydrophobicContact CG-CD1 4.26Å; L371-F468 HydrophobicContact CG-CG 4.41Å; I374-F468 HydrophobicContact CD1-CE2 4.46Å; M464-F468 WeakPolarHBondContact O-CB 3.1Å; M464-F468 PolarHBondContact O-N 3.21Å; M464-F468 VanDerWaalsContact O-N 3.09Å; F465-F468 PolarHBondContact O-N 3.48Å; F468-L471 PolarHBondContact O-N 2.86Å; F468-L472 HydrophobicContact CD1-CD1 4.11Å; F468-L472 HydrophobicContact CD2-CD1 4.18Å; F468-L472 HydrophobicContact CE1-CD1 3.52Å; F468-L472 HydrophobicContact CE2-CD1 3.59Å; F468-L472 HydrophobicContact CE2-CG 4.44Å; F468-L472 HydrophobicContact CG-CD1 4.42Å; F468-L472 HydrophobicContact CZ-CD1 3.23Å; F468-L472 HydrophobicContact CZ-CG 4.43Å; F468-L472 PolarHBondContact O-N 3.44Å
469	T	97.9	Very high	97	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64.4	-42.4	178.4	53.2	0	0	0	0	111.2	P356 M364 V367 F465 L466 Q473	P356-T469 VanDerWaalsContact CB-OG1 3.29Å; P356-T469 WeakPolarHBondContact CB-OG1 3.31Å; P356-T469 WeakPolarHBondContact CG-OG1 3.45Å; M364-T469 HydrophobicContact SD-CG2 3.97Å; V367-T469 HydrophobicContact CG1-CG2 3.77Å; F465-T469 HydrophobicContact CD2-CG2 4.03Å; F465-T469 HydrophobicContact CE1-CG2 4.22Å; F465-T469 HydrophobicContact CE2-CG2 3.7Å; F465-T469 HydrophobicContact CG-CG2 4.43Å; F465-T469 HydrophobicContact CZ-CG2 3.81Å; F465-T469 WeakPolarHBondContact O-CB 3.43Å; F465-T469 WeakPolarHBondContact O-CG2 3.35Å; F465-T469 PolarHBondContact O-N 2.72Å; F465-T469 PolarHBondContact O-OG1 3.5Å; L466-T469 PolarHBondContact O-OG1 2.94Å; T469-Q473 WeakPolarHBondContact O-CB 3.41Å; T469-Q473 PolarHBondContact O-N 3.22Å
470	T	97.5	Very high	96.9	Very high	4 Å²	4	15.8 Å²	15.8	3%	0.025	7%	0.073	C	C	.	.	H	α-helix	trans	-64.9	-45	179.5	-57.7	0	0	0	0	110.9	C166 V170 P356 L466 F467 Q473 R474	C166-T470 HydrophobicContact CB-CG2 3.92Å; V170-T470 HydrophobicContact CG2-CG2 3.88Å; P356-T470 WeakPolarHBondContact CG-OG1 3.47Å; L466-T470 WeakPolarHBondContact O-CB 3.14Å; L466-T470 PolarHBondContact O-N 3.37Å; L466-T470 PolarHBondContact O-OG1 2.91Å; F467-T470 PolarHBondContact O-N 2.92Å; T470-Q473 PolarHBondContact O-N 3.42Å; T470-R474 WeakPolarHBondContact O-CG 3.41Å; T470-R474 PolarHBondContact O-N 3.2Å; T470-R474 VanDerWaalsContact O-N 3.16Å
471	L	97.4	Very high	96.5	Very high	5 Å²	5	20.9 Å²	20.9	3%	0.026	11%	0.105	C	C	.	.	H	α-helix	trans	-59.5	-51.3	178.1	-74.8	170.1	0	0	0	111.3	L169 I173 M327 F467 F468 R474 F475	L169-L471 HydrophobicContact CD2-CD1 4.29Å; L169-L471 HydrophobicContact CD2-CD2 4.08Å; L169-L471 HydrophobicContact CD2-CG 4.43Å; L169-L471 HydrophobicContact CG-CD2 4.34Å; I173-L471 HydrophobicContact CD1-CD2 3.47Å; I173-L471 VanDerWaalsContact CD1-CD2 3.47Å; M327-L471 HydrophobicContact CE-CD1 4.42Å; M327-L471 HydrophobicContact SD-CD1 4.47Å; F467-L471 VanDerWaalsContact O-CB 3.28Å; F467-L471 WeakPolarHBondContact O-CB 3.34Å; F467-L471 WeakPolarHBondContact O-CD1 3.35Å; F467-L471 WeakPolarHBondContact O-CG 3.33Å; F467-L471 PolarHBondContact O-N 3.44Å; F468-L471 PolarHBondContact O-N 2.86Å; L471-R474 PolarHBondContact O-N 3.35Å; L471-F475 WeakPolarHBondContact O-CB 3.25Å; L471-F475 WeakPolarHBondContact O-CD2 3.32Å; L471-F475 PolarHBondContact O-N 3.22Å
472	L	97.2	Very high	95.9	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-74.6	-25.5	-178.1	-66.2	-176.2	0	0	0	113	M330 Q337 V342 H343 I346 F468 R474 L477 R507	M330-L472 HydrophobicContact CB-CD2 4.49Å; M330-L472 HydrophobicContact CG-CD1 3.97Å; M330-L472 HydrophobicContact CG-CD2 4.41Å; M330-L472 HydrophobicContact SD-CD1 4.11Å; Q337-L472 HydrophobicContact CG-CD2 3.98Å; V342-L472 HydrophobicContact CB-CD1 4.44Å; V342-L472 HydrophobicContact CG1-CB 4.36Å; V342-L472 HydrophobicContact CG1-CD1 3.41Å; V342-L472 VanDerWaalsContact CG1-CD1 3.41Å; H343-L472 PolarHBondContact CD2-O 3.22Å; H343-L472 PolarHBondContact NE2-O 3.05Å; I346-L472 HydrophobicContact CD1-CB 3.84Å; F468-L472 HydrophobicContact CD1-CD1 4.11Å; F468-L472 HydrophobicContact CD2-CD1 4.18Å; F468-L472 HydrophobicContact CE1-CD1 3.52Å; F468-L472 HydrophobicContact CE2-CD1 3.59Å; F468-L472 HydrophobicContact CE2-CG 4.44Å; F468-L472 HydrophobicContact CG-CD1 4.42Å; F468-L472 HydrophobicContact CZ-CD1 3.23Å; F468-L472 HydrophobicContact CZ-CG 4.43Å; F468-L472 PolarHBondContact O-N 3.44Å; L472-R474 VanDerWaalsContact C-N 3.26Å; L472-R474 PolarHBondContact O-N 3.27Å; L472-L477 HydrophobicContact CD2-CD1 3.81Å; L472-L477 HydrophobicContact CD2-CG 4Å; L472-R507 WeakPolarHBondContact O-CD 3.2Å; L472-R507 PolarHBondContact O-NH1 2.97Å
473	Q	95.7	Very high	95.6	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.009	16%	0.157	C	C	.	.	H	α-helix	trans	-62	-37.3	169.6	-174.5	-170	43.2	0	0	111.3	I346 L350 R354 T469 T470	I346-Q473 HydrophobicContact CG2-CB 3.77Å; I346-Q473 HydrophobicContact CG2-CG 3.91Å; L350-Q473 HydrophobicContact CD1-CG 4.4Å; L350-Q473 VanDerWaalsContact CD1-NE2 3.33Å; R354-Q473 PolarHBondContact O-NE2 2.78Å; T469-Q473 WeakPolarHBondContact O-CB 3.41Å; T469-Q473 PolarHBondContact O-N 3.22Å; T470-Q473 PolarHBondContact O-N 3.42Å
474	R	95.3	Very high	94.9	Very high	49 Å²	49	39.5 Å²	39.5	19%	0.185	20%	0.196	C	C	.	.	H	α-helix	trans	-93.6	-30.7	-174.8	-62.4	-49.7	-168	174.2	-2.4	113.8	V170 T470 L471 L472 R506 R507	V170-R474 HydrophobicContact CG1-CG 4.23Å; V170-R474 HydrophobicContact CG2-CG 4.2Å; T470-R474 WeakPolarHBondContact O-CG 3.41Å; T470-R474 PolarHBondContact O-N 3.2Å; T470-R474 VanDerWaalsContact O-N 3.16Å; L471-R474 PolarHBondContact O-N 3.35Å; L472-R474 VanDerWaalsContact C-N 3.26Å; L472-R474 PolarHBondContact O-N 3.27Å; R474-R506 WeakPolarHBondContact O-CA 3.35Å; R474-R507 PolarHBondContact O-N 3.3Å
475	F	96.5	Very high	94.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	145.3	-168.9	-58.8	-73.9	0	0	0	113.1	V170 I173 D174 L471 L477 A504 V505 R506 R507	V170-F475 HydrophobicContact CB-CE2 4.27Å; V170-F475 HydrophobicContact CG1-CE2 3.91Å; V170-F475 HydrophobicContact CG1-CZ 4.01Å; V170-F475 HydrophobicContact CG2-CE2 4.11Å; I173-F475 HydrophobicContact CB-CE2 4.27Å; I173-F475 HydrophobicContact CB-CZ 4.16Å; I173-F475 HydrophobicContact CG2-CD2 4.46Å; I173-F475 HydrophobicContact CG2-CE1 4.08Å; I173-F475 HydrophobicContact CG2-CE2 3.96Å; I173-F475 HydrophobicContact CG2-CZ 3.76Å; D174-F475 WeakPolarHBondContact OD1-CE1 3.26Å; D174-F475 WeakPolarHBondContact OD1-CZ 3.48Å; L471-F475 WeakPolarHBondContact O-CB 3.25Å; L471-F475 WeakPolarHBondContact O-CD2 3.32Å; L471-F475 PolarHBondContact O-N 3.22Å; F475-L477 HydrophobicContact CB-CD2 4.11Å; F475-A504 HydrophobicContact CB-CB 4.12Å; F475-A504 HydrophobicContact CD1-CB 3.85Å; F475-A504 HydrophobicContact CE1-CB 4.4Å; F475-A504 HydrophobicContact CG-CB 3.96Å; F475-V505 CarbonylContact C-O 3.49Å; F475-V505 VanDerWaalsContact CA-O 3.32Å; F475-V505 WeakPolarHBondContact CA-O 3.27Å; F475-R506 HydrophobicContact CD1-CG 4.22Å; F475-R506 HydrophobicContact CE1-CG 3.82Å; F475-R507 WeakPolarHBondContact O-CD 3.36Å
476	H	96.6	Very high	93.9	Very high	56 Å²	56	43.5 Å²	43.5	26%	0.259	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	122.1	156.5	-178.5	47.5	0	0	0	108.2	Q337 H343 V505 R507	Q337-H476 PolarHBondContact OE1-ND1 3.02Å; H343-H476 AromaticContact CE1-ND1 3.79Å; H476-V505 PolarHBondContact N-O 3.19Å; H476-V505 PolarHBondContact O-N 3.35Å; H476-R507 HydrophobicContact CB-CG 4.18Å
477	L	96.8	Very high	93.6	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	130.4	179.1	-55.6	-177.9	0	0	0	109.9	M327 Q337 L472 F475 A504	M327-L477 HydrophobicContact CB-CD1 4.02Å; M327-L477 HydrophobicContact CE-CD1 4.26Å; M327-L477 HydrophobicContact CE-CD2 4.37Å; M327-L477 HydrophobicContact CG-CD1 3.93Å; Q337-L477 PolarHBondContact NE2-O 3.49Å; L472-L477 HydrophobicContact CD2-CD1 3.81Å; L472-L477 HydrophobicContact CD2-CG 4Å; F475-L477 HydrophobicContact CB-CD2 4.11Å; L477-A504 HydrophobicContact CD2-CB 3.9Å
478	Q	95.7	Very high	93.3	Very high	77 Å²	77	49.6 Å²	49.6	36%	0.36	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	156.8	177.7	64.2	-173.9	28.2	0	0	110.8	C503	Q478-C503 HydrophobicContact CG-CB 3.89Å; Q478-C503 PolarHBondContact N-O 3.5Å; Q478-C503 PolarHBondContact O-N 2.94Å
479	F	96.3	Very high	93	Very high	32 Å²	32	50.6 Å²	50.6	14%	0.14	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-74.5	150.3	170.3	-66.4	-65.8	0	0	0	111	L328 A331 L332 P485 Y500 I502	L328-F479 HydrophobicContact CG-CZ 4.19Å; A331-F479 HydrophobicContact CB-CD1 4.46Å; A331-F479 HydrophobicContact CB-CD2 3.96Å; A331-F479 HydrophobicContact CB-CE1 4.16Å; A331-F479 HydrophobicContact CB-CE2 3.62Å; A331-F479 HydrophobicContact CB-CG 4.35Å; A331-F479 HydrophobicContact CB-CZ 3.72Å; L332-F479 HydrophobicContact CB-CE2 4.03Å; L332-F479 HydrophobicContact CD1-CE2 4.37Å; F479-P485 HydrophobicContact CD1-CB 4.28Å; F479-P485 HydrophobicContact CD2-CG 3.99Å; F479-P485 HydrophobicContact CE1-CB 3.71Å; F479-P485 HydrophobicContact CE1-CG 4.1Å; F479-P485 HydrophobicContact CE2-CB 4.06Å; F479-P485 HydrophobicContact CE2-CG 3.53Å; F479-P485 HydrophobicContact CG-CG 4.46Å; F479-P485 HydrophobicContact CZ-CB 3.59Å; F479-P485 HydrophobicContact CZ-CG 3.6Å; F479-Y500 HydrophobicContact CE1-CD2 4.36Å; F479-I502 HydrophobicContact CD1-CG2 4.1Å; F479-I502 HydrophobicContact CE1-CG2 4.03Å
480	P	94.1	Very high	92.6	Very high	17 Å²	17	54.3 Å²	54.3	11%	0.11	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-57.4	147.7	169.6	-20.2	32	0	0	0	110.4	P180 R482 T483 S501	P180-P480 HydrophobicContact CB-CB 4.38Å; P180-P480 HydrophobicContact CB-CG 3.69Å; P180-P480 HydrophobicContact CG-CB 3.91Å; P180-P480 HydrophobicContact CG-CG 3.75Å; P480-R482 PolarHBondContact O-N 3.48Å; P480-T483 VanDerWaalsContact O-CB 3.26Å; P480-T483 WeakPolarHBondContact O-CB 3.35Å; P480-T483 PolarHBondContact O-N 2.99Å; P480-T483 VanDerWaalsContact O-N 3.14Å; P480-T483 PolarHBondContact O-OG1 2.75Å; P480-S501 VanDerWaalsContact CD-O 3.26Å; P480-S501 WeakPolarHBondContact CD-O 3.35Å
481	P	88.7	Confident	91.9	Very high	115 Å²	115	57.4 Å²	57.4	75%	0.747	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	138.1	179.2	-26.3	34	0	0	0	111.9	T483	P481-T483 VanDerWaalsContact C-N 3.25Å; P481-T483 PolarHBondContact O-N 3.39Å
482	R	84.4	Confident	91.4	Very high	255 Å²	255	57.4 Å²	57.4	96%	0.962	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	19.6	178.9	-48.8	177.7	-179.4	-177.3	-0.8	115.2	P480	P480-R482 PolarHBondContact O-N 3.48Å
483	T	88.1	Confident	91.1	Very high	62 Å²	62	59 Å²	59	38%	0.38	31%	0.308	S	S	.	.			trans	-90.9	129.3	172.7	-52.9	0	0	0	0	110.6	P480 P481	P480-T483 VanDerWaalsContact O-CB 3.26Å; P480-T483 WeakPolarHBondContact O-CB 3.35Å; P480-T483 PolarHBondContact O-N 2.99Å; P480-T483 VanDerWaalsContact O-N 3.14Å; P480-T483 PolarHBondContact O-OG1 2.75Å; P481-T483 VanDerWaalsContact C-N 3.25Å; P481-T483 PolarHBondContact O-N 3.39Å
484	V	83.3	Confident	91.1	Very high	136 Å²	136	59.3 Å²	59.3	82%	0.824	31%	0.31	S	S	*	.			trans	-104.3	105	168.3	-177.6	0	0	0	0	107.9
485	P	84.3	Confident	91.1	Very high	30 Å²	30	57.3 Å²	57.3	20%	0.195	30%	0.302	C	S	.	.			trans	-70.9	145.5	178.7	32.7	-38.4	0	0	0	110.6	L332 F479	L332-P485 HydrophobicContact CD1-CG 4.02Å; F479-P485 HydrophobicContact CD1-CB 4.28Å; F479-P485 HydrophobicContact CD2-CG 3.99Å; F479-P485 HydrophobicContact CE1-CB 3.71Å; F479-P485 HydrophobicContact CE1-CG 4.1Å; F479-P485 HydrophobicContact CE2-CB 4.06Å; F479-P485 HydrophobicContact CE2-CG 3.53Å; F479-P485 HydrophobicContact CG-CG 4.46Å; F479-P485 HydrophobicContact CZ-CB 3.59Å; F479-P485 HydrophobicContact CZ-CG 3.6Å
486	T	90.3	Very high	91.1	Very high	61 Å²	61	57.5 Å²	57.5	37%	0.374	30%	0.304	S	S	.	.			trans	-94.7	130.5	167.8	179.4	0	0	0	0	109.5	T488 K498	T486-T488 PolarHBondContact OG1-N 2.69Å; T486-T488 PolarHBondContact OG1-OG1 3.38Å; T486-K498 HydrophobicContact CG2-CB 4Å; T486-K498 HydrophobicContact CG2-CD 3.67Å; T486-K498 HydrophobicContact CG2-CG 4.38Å
487	V	91.9	Very high	91.1	Very high	65 Å²	65	54.9 Å²	54.9	39%	0.394	29%	0.291	S	S	.	.			trans	-93.8	-0.1	173.9	-64.3	0	0	0	0	112.3	W325 L328 L332	W325-V487 WeakPolarHBondContact CH2-O 3.41Å; L328-V487 HydrophobicContact CD2-CG1 3.98Å; L332-V487 HydrophobicContact CD2-CG1 3.81Å
488	T	92.2	Very high	90.9	Very high	65 Å²	65	58.8 Å²	58.8	40%	0.399	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-69.7	123.6	176.6	-49.6	0	0	0	0	109.4	T486	T486-T488 PolarHBondContact OG1-N 2.69Å; T486-T488 PolarHBondContact OG1-OG1 3.38Å
489	P	92.9	Very high	90.9	Very high	27 Å²	27	60 Å²	60	18%	0.175	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	153	-177.9	29.1	-35.3	0	0	0	111.3	W325 L495 Q496	W325-P489 HydrophobicContact CZ2-CB 4.04Å; P489-L495 HydrophobicContact CB-CB 4Å; P489-L495 HydrophobicContact CB-CD1 4.44Å; P489-L495 HydrophobicContact CB-CD2 4.02Å; P489-L495 HydrophobicContact CB-CG 4.35Å; P489-L495 HydrophobicContact CG-CD1 4.35Å; P489-L495 HydrophobicContact CG-CD2 4.19Å; P489-Q496 WeakPolarHBondContact CA-O 3.2Å
490	K	90.1	Very high	90.9	Very high	78 Å²	78	59.5 Å²	59.5	34%	0.339	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	130.8	159.9	-172.4	-177	179.9	-165.8	0	107.7	E223 Q496 K498	E223-K490 WeakPolarHBondContact OE1-CE 3.4Å; E223-K490 IonicContact OE1-NZ 2.82Å; E223-K490 PolarHBondContact OE1-NZ 2.94Å; E223-K490 WeakPolarHBondContact OE2-CE 3.33Å; E223-K490 IonicContact OE2-NZ 3.53Å; E223-K490 PolarHBondContact OE2-NZ 3.41Å; K490-Q496 HydrophobicContact CB-CG 3.77Å; K490-Q496 HydrophobicContact CD-CG 4.3Å; K490-Q496 PolarHBondContact N-O 3.04Å; K490-K498 HydrophobicContact CB-CG 4.47Å
491	L	81.3	Confident	91	Very high	68 Å²	68	61.2 Å²	61.2	36%	0.356	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-72.8	134.4	-177.5	-178.7	62.1	0	0	0	111.4	P66	P66-L491 HydrophobicContact CG-CD1 3.97Å; P66-L491 HydrophobicContact CG-CD2 4.46Å
492	G	87.4	Confident	91.3	Very high	6 Å²	6	55.7 Å²	55.7	6%	0.062	30%	0.297	C	S	.	.	S	Bend	trans	-171.1	-175.6	175.2	0	0	0	0	0	110.3	T494	G492-T494 CarbonylContact C-O 3.58Å; G492-T494 PolarHBondContact O-N 2.9Å
493	M	91.1	Very high	91.9	Very high	35 Å²	35	44 Å²	44	17%	0.172	25%	0.254	C	S	.	.	S	Bend	trans	-57.7	-32.5	166.4	-82.1	-66.4	-62.9	0	0	110.8	V222 A225 V226 I385	V222-M493 HydrophobicContact CG1-CB 3.75Å; V222-M493 PolarHBondContact O-N 3.36Å; A225-M493 HydrophobicContact CB-CG 4.34Å; V226-M493 HydrophobicContact CG1-CB 4.45Å; V226-M493 HydrophobicContact CG1-CG 3.52Å; V226-M493 HydrophobicContact CG1-SD 3.18Å; V226-M493 WeakPolarHBondContact CG1-SD 3.44Å; I385-M493 HydrophobicContact CG1-CE 4.45Å
494	T	95.9	Very high	92.4	Very high	8 Å²	8	41.2 Å²	41.2	5%	0.049	24%	0.238	C	C	.	.	S	Bend	trans	-107.8	148.5	170.4	55.9	0	0	0	0	111.2	V222 E317 T318 I380 V381 G492	V222-T494 HydrophobicContact CG1-CG2 4.34Å; E317-T494 HydrophobicContact CG-CG2 3.99Å; E317-T494 PolarHBondContact OE1-OG1 3.08Å; T318-T494 HydrophobicContact CG2-CG2 4.33Å; I380-T494 CarbonylContact O-C 3.31Å; I380-T494 WeakPolarHBondContact O-CA 3.43Å; I380-T494 WeakPolarHBondContact O-CB 3.49Å; V381-T494 HydrophobicContact CG2-CG2 4.37Å; G492-T494 CarbonylContact C-O 3.58Å; G492-T494 PolarHBondContact O-N 2.9Å
495	L	96.1	Very high	92.9	Very high	6 Å²	6	37.7 Å²	37.7	3%	0.031	22%	0.216	C	C	.	.			trans	-92.2	114	170	-61	-174.7	0	0	0	109.8	W325 N379 I380 P382 P489	W325-L495 PolarHBondContact NE1-O 2.8Å; N379-L495 HydrophobicContact CB-CD1 4.3Å; N379-L495 WeakPolarHBondContact O-CD1 3.38Å; I380-L495 PolarHBondContact O-N 2.98Å; P382-L495 HydrophobicContact CB-CD1 3.99Å; P382-L495 HydrophobicContact CB-CG 4.28Å; P382-L495 HydrophobicContact CG-CD1 3.94Å; P382-L495 HydrophobicContact CG-CD2 4.04Å; P382-L495 HydrophobicContact CG-CG 3.69Å; P489-L495 HydrophobicContact CB-CB 4Å; P489-L495 HydrophobicContact CB-CD1 4.44Å; P489-L495 HydrophobicContact CB-CD2 4.02Å; P489-L495 HydrophobicContact CB-CG 4.35Å; P489-L495 HydrophobicContact CG-CD1 4.35Å; P489-L495 HydrophobicContact CG-CD2 4.19Å
496	Q	95.3	Very high	93.4	Very high	5 Å²	5	41.2 Å²	41.2	2%	0.023	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	150.5	175.2	68.4	-179.3	-76.1	0	0	110.9	E223 N321 P489 K490	E223-Q496 PolarHBondContact OE1-NE2 3.08Å; N321-Q496 HydrophobicContact CB-CB 4.36Å; N321-Q496 VanDerWaalsContact CG-CB 3.43Å; N321-Q496 WeakPolarHBondContact OD1-CB 3.31Å; P489-Q496 WeakPolarHBondContact CA-O 3.2Å; K490-Q496 HydrophobicContact CB-CG 3.77Å; K490-Q496 HydrophobicContact CD-CG 4.3Å; K490-Q496 PolarHBondContact N-O 3.04Å
497	P	95.9	Very high	93.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	145.2	170.8	26.4	-29	0	0	0	109.6	R324 W325 L328 Y500	R324-P497 HydrophobicContact CB-CG 3.75Å; R324-P497 PolarHBondContact NH2-O 3.46Å; W325-P497 HydrophobicContact CD2-CB 4.12Å; W325-P497 HydrophobicContact CD2-CG 4.17Å; W325-P497 HydrophobicContact CE3-CB 3.98Å; W325-P497 HydrophobicContact CE3-CG 4.43Å; W325-P497 HydrophobicContact CH2-CB 3.9Å; W325-P497 HydrophobicContact CZ2-CB 3.99Å; W325-P497 HydrophobicContact CZ3-CB 3.9Å; L328-P497 HydrophobicContact CD1-CB 3.9Å; P497-Y500 HydrophobicContact CB-CD1 4.06Å; P497-Y500 HydrophobicContact CB-CE1 3.92Å; P497-Y500 HydrophobicContact CG-CD1 4.35Å; P497-Y500 HydrophobicContact CG-CE1 3.79Å
498	K	94.4	Very high	92.6	Very high	86 Å²	86	46.2 Å²	46.2	37%	0.374	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-57.2	158.6	167.2	-71.8	175.8	-178.9	174.3	0	109.9	T486 K490 Y500	T486-K498 HydrophobicContact CG2-CB 4Å; T486-K498 HydrophobicContact CG2-CD 3.67Å; T486-K498 HydrophobicContact CG2-CG 4.38Å; K490-K498 HydrophobicContact CB-CG 4.47Å; K498-Y500 WeakPolarHBondContact O-CD1 3.34Å; K498-Y500 PolarHBondContact O-N 3.44Å
499	P	94.7	Very high	91.1	Very high	104 Å²	104	44.8 Å²	44.8	68%	0.675	23%	0.227	S	C	*	.	S	Bend	trans	-51.5	128.4	175.4	-26.7	35.6	0	0	0	111
500	Y	95.9	Very high	89.2	Confident	20 Å²	20	49.6 Å²	49.6	8%	0.078	25%	0.249	C	C	.	.			trans	-140.3	155	176.9	68.8	-98.4	0	0	0	109.2	N182 P183 R324 L328 F479 P497 K498 I502	N182-Y500 WeakPolarHBondContact CA-O 3.38Å; P183-Y500 HydrophobicContact CG-CE2 3.64Å; P183-Y500 WeakPolarHBondContact CG-OH 3.48Å; R324-Y500 PolarHBondContact O-OH 3.34Å; L328-Y500 HydrophobicContact CB-CE1 3.99Å; L328-Y500 HydrophobicContact CB-CE2 4.49Å; L328-Y500 HydrophobicContact CD1-CD1 3.71Å; L328-Y500 HydrophobicContact CD1-CE1 3.82Å; L328-Y500 HydrophobicContact CD1-CG 4.28Å; L328-Y500 HydrophobicContact CG-CE1 4.42Å; F479-Y500 HydrophobicContact CE1-CD2 4.36Å; P497-Y500 HydrophobicContact CB-CD1 4.06Å; P497-Y500 HydrophobicContact CB-CE1 3.92Å; P497-Y500 HydrophobicContact CG-CD1 4.35Å; P497-Y500 HydrophobicContact CG-CE1 3.79Å; K498-Y500 WeakPolarHBondContact O-CD1 3.34Å; K498-Y500 PolarHBondContact O-N 3.44Å; Y500-I502 HydrophobicContact CD2-CG2 3.75Å; Y500-I502 HydrophobicContact CE2-CB 4.44Å; Y500-I502 HydrophobicContact CE2-CD1 4.31Å; Y500-I502 HydrophobicContact CE2-CG1 4.17Å; Y500-I502 HydrophobicContact CE2-CG2 3.55Å
501	S	95.8	Very high	87.3	Confident	53 Å²	53	52.3 Å²	52.3	37%	0.371	26%	0.261	S	S	.	.			trans	-108.3	142.2	173.5	-60.2	0	0	0	0	110.5	F181 P480	F181-S501 CarbonylContact O-C 3.55Å; F181-S501 VanDerWaalsContact O-CA 3.25Å; F181-S501 WeakPolarHBondContact O-CA 3.45Å; P480-S501 VanDerWaalsContact CD-O 3.26Å; P480-S501 WeakPolarHBondContact CD-O 3.35Å
502	I	96.3	Very high	85.5	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-131.2	152.7	174.2	47.6	167.7	0	0	0	110.1	P180 F181 P183 M327 A331 F479 Y500	P180-I502 WeakPolarHBondContact CA-O 3.34Å; F181-I502 WeakPolarHBondContact CD1-O 3.3Å; F181-I502 HydrophobicContact CE1-CG1 4.3Å; F181-I502 HydrophobicContact CZ-CD1 4.27Å; F181-I502 HydrophobicContact CZ-CG1 4.33Å; F181-I502 PolarHBondContact N-O 2.96Å; F181-I502 PolarHBondContact O-N 2.93Å; P183-I502 HydrophobicContact CB-CD1 4.13Å; P183-I502 HydrophobicContact CG-CD1 3.96Å; P183-I502 HydrophobicContact CG-CG1 4.2Å; M327-I502 HydrophobicContact CB-CD1 4.27Å; M327-I502 HydrophobicContact CE-CD1 3.33Å; M327-I502 HydrophobicContact SD-CD1 4.22Å; A331-I502 HydrophobicContact CB-CG2 4.27Å; F479-I502 HydrophobicContact CD1-CG2 4.1Å; F479-I502 HydrophobicContact CE1-CG2 4.03Å; Y500-I502 HydrophobicContact CD2-CG2 3.75Å; Y500-I502 HydrophobicContact CE2-CB 4.44Å; Y500-I502 HydrophobicContact CE2-CD1 4.31Å; Y500-I502 HydrophobicContact CE2-CG1 4.17Å; Y500-I502 HydrophobicContact CE2-CG2 3.55Å
503	C	97.2	Very high	83	Confident	8 Å²	8	62.1 Å²	62.1	5%	0.054	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	129.4	166.2	-62.3	0	0	0	0	108.5	G178 Q478	G178-C503 WeakPolarHBondContact O-CB 3.21Å; G178-C503 PolarHBondContact O-SG 3.07Å; Q478-C503 HydrophobicContact CG-CB 3.89Å; Q478-C503 PolarHBondContact N-O 3.5Å; Q478-C503 PolarHBondContact O-N 2.94Å
504	A	97.2	Very high	80.4	Confident	5 Å²	5	65.8 Å²	65.8	4%	0.041	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	108	171.2	0	0	0	0	0	109	I173 G178 F181 F475 L477	I173-A504 HydrophobicContact CG2-CB 3.48Å; I173-A504 VanDerWaalsContact CG2-CB 3.48Å; G178-A504 WeakPolarHBondContact CA-O 3.4Å; F181-A504 HydrophobicContact CE1-CB 4Å; F475-A504 HydrophobicContact CB-CB 4.12Å; F475-A504 HydrophobicContact CD1-CB 3.85Å; F475-A504 HydrophobicContact CE1-CB 4.4Å; F475-A504 HydrophobicContact CG-CB 3.96Å; L477-A504 HydrophobicContact CD2-CB 3.9Å
505	V	95.6	Very high	77.8	Confident	61 Å²	61	74.7 Å²	74.7	37%	0.37	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.7	-177.8	-176.9	0	0	0	0	109	F475 H476 R507	F475-V505 CarbonylContact C-O 3.49Å; F475-V505 VanDerWaalsContact CA-O 3.32Å; F475-V505 WeakPolarHBondContact CA-O 3.27Å; H476-V505 PolarHBondContact N-O 3.19Å; H476-V505 PolarHBondContact O-N 3.35Å; V505-R507 PolarHBondContact O-N 3.08Å
506	R	94.1	Very high	74.9	Confident	104 Å²	104	77.6 Å²	77.6	39%	0.392	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	132.4	179.3	-84.4	-70.3	-167.6	163	-1.2	111	V170 D174 R474 F475	V170-R506 VanDerWaalsContact CG1-NH2 3.26Å; D174-R506 VanDerWaalsContact CG-NE 3.29Å; D174-R506 IonicContact OD1-CZ 3.6Å; D174-R506 IonicContact OD1-NE 2.78Å; D174-R506 PolarHBondContact OD1-NE 3.25Å; D174-R506 IonicContact OD1-NH2 3.66Å; D174-R506 IonicContact OD2-CZ 3.19Å; D174-R506 IonicContact OD2-NE 3.03Å; D174-R506 PolarHBondContact OD2-NE 2.99Å; D174-R506 IonicContact OD2-NH2 2.61Å; D174-R506 PolarHBondContact OD2-NH2 3.07Å; R474-R506 WeakPolarHBondContact O-CA 3.35Å; F475-R506 HydrophobicContact CD1-CG 4.22Å; F475-R506 HydrophobicContact CE1-CG 3.82Å
507	R	91.6	Very high	71.9	Confident	43 Å²	43	83.4 Å²	83.4	16%	0.162	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-86.9	142.6	174.9	-66.2	174.8	59.7	-148.1	-12.2	110.5	H343 D347 L472 R474 F475 H476 V505	H343-R507 PolarHBondContact CD2-NH1 3.14Å; D347-R507 IonicContact OD1-CZ 3.63Å; D347-R507 IonicContact OD1-NH1 3.61Å; D347-R507 IonicContact OD1-NH2 2.78Å; D347-R507 PolarHBondContact OD1-NH2 2.79Å; D347-R507 IonicContact OD2-NH2 2.79Å; D347-R507 PolarHBondContact OD2-NH2 3.32Å; L472-R507 WeakPolarHBondContact O-CD 3.2Å; L472-R507 PolarHBondContact O-NH1 2.97Å; R474-R507 PolarHBondContact O-N 3.3Å; F475-R507 WeakPolarHBondContact O-CD 3.36Å; H476-R507 HydrophobicContact CB-CG 4.18Å; V505-R507 PolarHBondContact O-N 3.08Å
508	Q	72.7	Confident	69.2	Low	188 Å²	188	88.4 Å²	88.4	88%	0.879	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-79.8	116.5	159.1	-66.9	-179.9	-8.4	0	0	107.4
509	Q	61.2	Low	66.2	Low	36 Å²	36	95.4 Å²	95.4	17%	0.168	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-70.1	133.1	176.3	-73.2	173	-18.5	0	0	109	F511	Q509-F511 WeakPolarHBondContact O-CD2 3.3Å; Q509-F511 PolarHBondContact O-N 3.13Å; Q509-F511 VanDerWaalsContact O-N 3.11Å
510	M	54.1	Low	63.5	Low	127 Å²	127	98.4 Å²	98.4	63%	0.626	52%	0.515	S	S	*	.			trans	-73.7	104.4	174.6	-71.2	-155.8	-94.4	0	0	108.7	Q512	M510-Q512 PolarHBondContact O-N 3.05Å
511	F	48.8	Very low	60.6	Low	135 Å²	135	110.7 Å²	110.7	59%	0.592	57%	0.569	S	S	*	*			trans	-75.9	113.1	167.5	-63.1	-82.2	0	0	0	107.5	Q509 C513	Q509-F511 WeakPolarHBondContact O-CD2 3.3Å; Q509-F511 PolarHBondContact O-N 3.13Å; Q509-F511 VanDerWaalsContact O-N 3.11Å; F511-C513 VanDerWaalsContact C-N 3.34Å; F511-C513 PolarHBondContact O-N 3.13Å
512	Q	43.5	Very low	58.8	Low	165 Å²	165	113.6 Å²	113.6	77%	0.771	58%	0.579	S	S	*	*			trans	-68.1	100.5	161.3	-80.4	-176	-20	0	0	106.7	M510 S514	M510-Q512 PolarHBondContact O-N 3.05Å; Q512-S514 PolarHBondContact O-N 3.26Å
513	C	35.7	Very low	56.9	Low	115 Å²	115	119.6 Å²	119.6	78%	0.777	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-60.2	117.9	158.8	-88.3	0	0	0	0	106.5	F511 E515	F511-C513 VanDerWaalsContact C-N 3.34Å; F511-C513 PolarHBondContact O-N 3.13Å; C513-E515 PolarHBondContact O-N 3.3Å; C513-E515 VanDerWaalsContact O-N 3.11Å
514	S	37.2	Very low	54.6	Low	113 Å²	113	125.8 Å²	125.8	79%	0.79	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-53.4	117.3	162.6	47.4	0	0	0	0	107.7	Q512	Q512-S514 PolarHBondContact O-N 3.26Å
515	E	40	Very low	52.1	Low	194 Å²	194	132.9 Å²	132.9	91%	0.907	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-54.1	144.7	-179.9	-72.3	-179.3	149.9	0	0	111.3	C513	C513-E515 PolarHBondContact O-N 3.3Å; C513-E515 VanDerWaalsContact O-N 3.11Å
516	G	36.6	Very low	49.4	Very low	68 Å²	68	137.4 Å²	137.4	70%	0.701	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-59	139.4	-159.7	0	0	0	0	0	116.1
517	T	31.1	Very low	46.4	Very low	126 Å²	126	139.6 Å²	139.6	77%	0.773	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-63.7	124.4	143.1	25.6	0	0	0	0	108.3	Y519	T517-Y519 PolarHBondContact O-N 3.24Å
518	P	39.3	Very low	43.2	Very low	105 Å²	105	146.5 Å²	146.5	68%	0.682	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-69.6	119	175.8	27.2	-29.5	0	0	0	108.2	H520	P518-H520 PolarHBondContact O-N 3.35Å; P518-H520 VanDerWaalsContact O-N 3.08Å
519	Y	32	Very low	40.9	Very low	233 Å²	233	143.3 Å²	143.3	91%	0.914	75%	0.745	S	S	*	*			trans	-61.5	110.4	163.9	-92.3	-91.2	0	0	0	108.2	T517	T517-Y519 PolarHBondContact O-N 3.24Å
520	H	36.9	Very low	39.2	Very low	167 Å²	167	152.3 Å²	152.3	77%	0.773	79%	0.793	S	S	*	*			trans	-95.5	114.3	163.7	-96.1	-53.4	0	0	0	109.5	P518	P518-H520 PolarHBondContact O-N 3.35Å; P518-H520 VanDerWaalsContact O-N 3.08Å
521	K	35.8	Very low	37.9	Very low	279 Å²	279	154.5 Å²	154.5	100%	1.213	81%	0.808	S	S	*	*			trans	66.2	0	162.5	-69.9	-172.2	177.4	-178.8	0	119.1

Retrieved 521 of 521 residues in 369.6 ms (Link to these results)

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