Q9NJ24_SCHMA Loading...

Fucosyltransferase

AlphaFold DB , UniProt , Accession Q9NJ24, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene FucTA, Length 426 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.5	Very low	44.4	Very low	236 Å²	236	171.5 Å²	171.5	100%	1.163	83%	0.831	S	S	*	*				0	102.1	0	-79	171	164.3	0	0	107.3	I3	M1-I3 PolarHBondContact O-N 3.02Å
2	N	37.2	Very low	45.3	Very low	171 Å²	171	168.7 Å²	168.7	91%	0.914	81%	0.812	S	S	*	*			trans	-79.1	114.6	-178.4	-77.4	-17.5	0	0	0	109.4
3	I	38.4	Very low	46.2	Very low	156 Å²	156	163.7 Å²	163.7	80%	0.8	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-88.6	122.5	171.9	-62.6	173.9	0	0	0	107.3	M1	M1-I3 PolarHBondContact O-N 3.02Å
4	P	42.8	Very low	46.8	Very low	113 Å²	113	163.8 Å²	163.8	73%	0.734	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-83.1	150.4	-173.1	31.3	-31.5	0	0	0	112.9
5	W	41.6	Very low	47.5	Very low	251 Å²	251	164.7 Å²	164.7	95%	0.951	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-62.1	136.7	-177.1	-74.8	63.3	0	0	0	113.6	Q7	W5-Q7 PolarHBondContact O-N 2.95Å
6	I	45.8	Very low	48.5	Very low	153 Å²	153	162.1 Å²	162.1	79%	0.785	76%	0.761	S	S	*	*			trans	-81.1	99.2	170.6	-64	166	0	0	0	108.2	F8	I6-F8 HydrophobicContact CG2-CB 4.36Å
7	Q	45.1	Very low	49.6	Very low	186 Å²	186	162.1 Å²	162.1	87%	0.869	75%	0.752	S	S	*	*			trans	-96	77.2	159.9	-92.8	-170	-25.1	0	0	109.1	W5	W5-Q7 PolarHBondContact O-N 2.95Å
8	F	43.5	Very low	50.7	Low	175 Å²	175	156 Å²	156	77%	0.768	73%	0.73	S	S	*	*			trans	-138.1	86.4	167.6	-92	-83.2	0	0	0	108.9	I6	I6-F8 HydrophobicContact CG2-CB 4.36Å
9	N	50.6	Low	52	Low	131 Å²	131	156 Å²	156	70%	0.701	72%	0.724	S	S	*	*	S	Bend	trans	-155	-8.8	159.3	-108.3	-20.9	0	0	0	116.1
10	H	51	Low	53.4	Low	169 Å²	169	155.8 Å²	155.8	78%	0.782	72%	0.718	S	S	*	*	H	α-helix	trans	-78.1	-29	176	-108.1	-79.7	0	0	0	114
11	H	53.2	Low	54.6	Low	146 Å²	146	155.5 Å²	155.5	68%	0.676	71%	0.711	S	S	*	*	H	α-helix	trans	-77.3	-25.7	-171.3	-132	-48.6	0	0	0	114.1	R15	H11-R15 PolarHBondContact O-N 2.73Å
12	F	55	Low	56.5	Low	137 Å²	137	148.6 Å²	148.6	60%	0.601	68%	0.678	S	S	*	*	H	α-helix	trans	-78.7	-40.5	-177.5	-154.9	-100.2	0	0	0	112	Y14 R15 Q16	F12-Y14 VanDerWaalsContact C-N 3.34Å; F12-Y14 PolarHBondContact O-N 2.73Å; F12-R15 PolarHBondContact O-N 2.98Å; F12-Q16 HydrophobicContact CD1-CG 4.43Å; F12-Q16 HydrophobicContact CE1-CG 4.35Å; F12-Q16 PolarHBondContact O-N 3.11Å
13	I	56.8	Low	58.7	Low	104 Å²	104	144.7 Å²	144.7	53%	0.533	66%	0.657	S	S	.	*	H	α-helix	trans	-65.3	-38.1	177.7	-59.4	174.7	0	0	0	110.9	Q16 R17	I13-Q16 PolarHBondContact O-N 3.11Å; I13-R17 PolarHBondContact O-N 2.98Å
14	Y	54.4	Low	60.8	Low	165 Å²	165	140.6 Å²	140.6	65%	0.647	64%	0.636	S	S	*	*	H	α-helix	trans	-68.8	-37.4	178.3	-134.5	-85	0	0	0	112.7	F12 S18	F12-Y14 VanDerWaalsContact C-N 3.34Å; F12-Y14 PolarHBondContact O-N 2.73Å; Y14-S18 PolarHBondContact O-N 2.98Å; Y14-S18 PolarHBondContact O-OG 2.73Å
15	R	57.6	Low	62.6	Low	178 Å²	178	138 Å²	138	67%	0.672	62%	0.62	S	S	*	*	H	α-helix	trans	-65.5	-43.5	173.8	-96	-173.7	170.5	-177.3	-1.7	111.8	H11 F12 S18 Y19	H11-R15 PolarHBondContact O-N 2.73Å; F12-R15 PolarHBondContact O-N 2.98Å; R15-S18 PolarHBondContact O-N 3.31Å; R15-Y19 PolarHBondContact O-N 2.99Å
16	Q	64.1	Low	64.6	Low	123 Å²	123	130.7 Å²	130.7	58%	0.575	60%	0.599	S	S	*	*	H	α-helix	trans	-65.6	-41.6	177.6	-74.4	-161.5	-7.5	0	0	112.6	F12 I13 S18 Y19 Y20	F12-Q16 HydrophobicContact CD1-CG 4.43Å; F12-Q16 HydrophobicContact CE1-CG 4.35Å; F12-Q16 PolarHBondContact O-N 3.11Å; I13-Q16 PolarHBondContact O-N 3.11Å; Q16-S18 PolarHBondContact O-N 3.44Å; Q16-Y19 PolarHBondContact O-N 2.78Å; Q16-Y20 WeakPolarHBondContact O-CB 3.46Å; Q16-Y20 PolarHBondContact O-N 2.96Å
17	R	66	Low	66.5	Low	161 Å²	161	128.7 Å²	128.7	61%	0.608	59%	0.589	S	S	*	*	H	α-helix	trans	-60.5	-44.4	173.7	-81.5	-176.3	167.1	179.4	-2.4	112.1	I13 Y20 Y21	I13-R17 PolarHBondContact O-N 2.98Å; R17-Y20 PolarHBondContact O-N 2.82Å; R17-Y21 HydrophobicContact CB-CE2 4.36Å; R17-Y21 WeakPolarHBondContact O-CD2 3.45Å; R17-Y21 PolarHBondContact O-N 3.32Å
18	S	69.6	Low	68.4	Low	53 Å²	53	123.8 Å²	123.8	37%	0.371	57%	0.569	S	S	.	*	H	α-helix	trans	-63.1	-43.8	179	-62.7	0	0	0	0	112.3	Y14 R15 Q16 Y20 Y21 I22	Y14-S18 PolarHBondContact O-N 2.98Å; Y14-S18 PolarHBondContact O-OG 2.73Å; R15-S18 PolarHBondContact O-N 3.31Å; Q16-S18 PolarHBondContact O-N 3.44Å; S18-Y20 VanDerWaalsContact C-N 3.33Å; S18-Y20 PolarHBondContact O-N 3.49Å; S18-Y21 PolarHBondContact O-N 3.19Å; S18-I22 VanDerWaalsContact O-CG1 3.31Å; S18-I22 WeakPolarHBondContact O-CG1 3.46Å; S18-I22 PolarHBondContact O-N 2.97Å
19	Y	76.2	Confident	70.4	Confident	156 Å²	156	120.6 Å²	120.6	61%	0.612	56%	0.559	S	S	*	*	H	α-helix	trans	-61.4	-41.2	174.8	-98.8	-83.9	0	0	0	112.1	R15 Q16 Y21 I22 I23	R15-Y19 PolarHBondContact O-N 2.99Å; Q16-Y19 PolarHBondContact O-N 2.78Å; Y19-Y21 PolarHBondContact O-N 2.95Å; Y19-I22 PolarHBondContact O-N 3.27Å; Y19-I23 WeakPolarHBondContact O-CB 3.45Å; Y19-I23 VanDerWaalsContact O-CG1 3.28Å; Y19-I23 WeakPolarHBondContact O-CG1 3.29Å; Y19-I23 PolarHBondContact O-N 3.2Å
20	Y	79	Confident	72	Confident	151 Å²	151	118 Å²	118	59%	0.592	55%	0.549	S	S	*	.	H	α-helix	trans	-60.7	-44.2	176.9	-175.1	-95.9	0	0	0	112.1	Q16 R17 S18 I23 L24	Q16-Y20 WeakPolarHBondContact O-CB 3.46Å; Q16-Y20 PolarHBondContact O-N 2.96Å; R17-Y20 PolarHBondContact O-N 2.82Å; S18-Y20 VanDerWaalsContact C-N 3.33Å; S18-Y20 PolarHBondContact O-N 3.49Å; Y20-I23 PolarHBondContact O-N 2.93Å; Y20-L24 HydrophobicContact CE1-CD2 4.34Å; Y20-L24 VanDerWaalsContact O-CB 3.24Å; Y20-L24 WeakPolarHBondContact O-CB 3.4Å; Y20-L24 PolarHBondContact O-N 3.47Å
21	Y	78.3	Confident	73.7	Confident	150 Å²	150	117 Å²	117	59%	0.588	54%	0.543	S	S	*	.	H	α-helix	trans	-66.5	-36.5	176.5	-70.9	-65.5	0	0	0	113.1	R17 S18 Y19 S25	R17-Y21 HydrophobicContact CB-CE2 4.36Å; R17-Y21 WeakPolarHBondContact O-CD2 3.45Å; R17-Y21 PolarHBondContact O-N 3.32Å; S18-Y21 PolarHBondContact O-N 3.19Å; Y19-Y21 PolarHBondContact O-N 2.95Å; Y21-S25 WeakPolarHBondContact O-CB 3.27Å; Y21-S25 PolarHBondContact O-N 3.19Å; Y21-S25 PolarHBondContact O-OG 3Å
22	I	80.8	Confident	75.2	Confident	91 Å²	91	114.4 Å²	114.4	47%	0.467	53%	0.533	S	S	.	.	H	α-helix	trans	-66.1	-46.5	175.5	-66.9	167.4	0	0	0	110.3	S18 Y19 S25 I26	S18-I22 VanDerWaalsContact O-CG1 3.31Å; S18-I22 WeakPolarHBondContact O-CG1 3.46Å; S18-I22 PolarHBondContact O-N 2.97Å; Y19-I22 PolarHBondContact O-N 3.27Å; I22-S25 WeakPolarHBondContact CA-OG 3.46Å; I22-S25 PolarHBondContact O-N 3.5Å; I22-S25 PolarHBondContact O-OG 3.43Å; I22-I26 HydrophobicContact CG2-CD1 3.75Å; I22-I26 HydrophobicContact CG2-CG1 4.5Å; I22-I26 WeakPolarHBondContact O-CB 3.5Å; I22-I26 VanDerWaalsContact O-CG1 3.25Å; I22-I26 WeakPolarHBondContact O-CG1 3.5Å; I22-I26 PolarHBondContact O-N 2.98Å
23	I	82.4	Confident	76.6	Confident	90 Å²	90	113.6 Å²	113.6	46%	0.462	53%	0.529	S	S	.	.	H	α-helix	trans	-64	-45	178.2	-67.3	167.1	0	0	0	110.2	Y19 Y20 S25 I26 L27	Y19-I23 WeakPolarHBondContact O-CB 3.45Å; Y19-I23 VanDerWaalsContact O-CG1 3.28Å; Y19-I23 WeakPolarHBondContact O-CG1 3.29Å; Y19-I23 PolarHBondContact O-N 3.2Å; Y20-I23 PolarHBondContact O-N 2.93Å; I23-S25 PolarHBondContact O-N 3.24Å; I23-I26 PolarHBondContact O-N 3.3Å; I23-L27 HydrophobicContact CG2-CD1 3.76Å; I23-L27 HydrophobicContact CG2-CG 4.25Å; I23-L27 WeakPolarHBondContact O-CB 3.29Å; I23-L27 VanDerWaalsContact O-CG 3.23Å; I23-L27 WeakPolarHBondContact O-CG 3.06Å; I23-L27 PolarHBondContact O-N 2.96Å
24	L	82.8	Confident	77.9	Confident	69 Å²	69	112.3 Å²	112.3	36%	0.361	53%	0.526	S	S	.	.	H	α-helix	trans	-61.6	-42.3	178.3	-169.5	72.6	0	0	0	111.8	Y20 L27 L28	Y20-L24 HydrophobicContact CE1-CD2 4.34Å; Y20-L24 VanDerWaalsContact O-CB 3.24Å; Y20-L24 WeakPolarHBondContact O-CB 3.4Å; Y20-L24 PolarHBondContact O-N 3.47Å; L24-L27 PolarHBondContact O-N 3.21Å; L24-L28 HydrophobicContact CG-CD1 4.09Å; L24-L28 WeakPolarHBondContact O-CB 3.38Å; L24-L28 VanDerWaalsContact O-CG 3.23Å; L24-L28 WeakPolarHBondContact O-CG 3.4Å; L24-L28 PolarHBondContact O-N 2.8Å
25	S	80.1	Confident	79.3	Confident	58 Å²	58	111.5 Å²	111.5	41%	0.406	53%	0.527	S	S	.	.	H	α-helix	trans	-66	-41.7	176.7	50.7	0	0	0	0	112.3	Y21 I22 I23 L27 L28 L29	Y21-S25 WeakPolarHBondContact O-CB 3.27Å; Y21-S25 PolarHBondContact O-N 3.19Å; Y21-S25 PolarHBondContact O-OG 3Å; I22-S25 WeakPolarHBondContact CA-OG 3.46Å; I22-S25 PolarHBondContact O-N 3.5Å; I22-S25 PolarHBondContact O-OG 3.43Å; I23-S25 PolarHBondContact O-N 3.24Å; S25-L27 VanDerWaalsContact C-N 3.32Å; S25-L27 PolarHBondContact O-N 3.09Å; S25-L28 PolarHBondContact O-N 3.19Å; S25-L29 WeakPolarHBondContact O-CG 3.36Å; S25-L29 PolarHBondContact O-N 2.74Å
26	I	83.9	Confident	80.5	Confident	99 Å²	99	107 Å²	107	51%	0.508	52%	0.515	S	S	.	.	H	α-helix	trans	-61.8	-40.7	173.8	-67.9	167.2	0	0	0	111.2	I22 I23 L28 L29 P30	I22-I26 HydrophobicContact CG2-CD1 3.75Å; I22-I26 HydrophobicContact CG2-CG1 4.5Å; I22-I26 WeakPolarHBondContact O-CB 3.5Å; I22-I26 VanDerWaalsContact O-CG1 3.25Å; I22-I26 WeakPolarHBondContact O-CG1 3.5Å; I22-I26 PolarHBondContact O-N 2.98Å; I23-I26 PolarHBondContact O-N 3.3Å; I26-L28 VanDerWaalsContact C-N 3.34Å; I26-L29 PolarHBondContact O-N 3.32Å; I26-P30 WeakPolarHBondContact O-CD 3.29Å
27	L	85.4	Confident	81.3	Confident	110 Å²	110	106.3 Å²	106.3	58%	0.576	51%	0.512	S	S	*	.	H	α-helix	trans	-70.2	-28.8	177.8	-70.5	173.5	0	0	0	112.9	I23 L24 S25 F31	I23-L27 HydrophobicContact CG2-CD1 3.76Å; I23-L27 HydrophobicContact CG2-CG 4.25Å; I23-L27 WeakPolarHBondContact O-CB 3.29Å; I23-L27 VanDerWaalsContact O-CG 3.23Å; I23-L27 WeakPolarHBondContact O-CG 3.06Å; I23-L27 PolarHBondContact O-N 2.96Å; L24-L27 PolarHBondContact O-N 3.21Å; S25-L27 VanDerWaalsContact C-N 3.32Å; S25-L27 PolarHBondContact O-N 3.09Å; L27-F31 WeakPolarHBondContact O-CD2 3.41Å
28	L	86.8	Confident	81.9	Confident	84 Å²	84	106.3 Å²	106.3	44%	0.44	52%	0.516	S	S	.	.	H	α-helix	trans	-80.4	-27.2	177.2	-73.4	169.6	0	0	0	113.2	L24 S25 I26 F31 I32	L24-L28 HydrophobicContact CG-CD1 4.09Å; L24-L28 WeakPolarHBondContact O-CB 3.38Å; L24-L28 VanDerWaalsContact O-CG 3.23Å; L24-L28 WeakPolarHBondContact O-CG 3.4Å; L24-L28 PolarHBondContact O-N 2.8Å; S25-L28 PolarHBondContact O-N 3.19Å; I26-L28 VanDerWaalsContact C-N 3.34Å; L28-F31 WeakPolarHBondContact O-CB 3.38Å; L28-F31 PolarHBondContact O-N 3.42Å; L28-I32 HydrophobicContact CB-CD1 4.28Å; L28-I32 WeakPolarHBondContact O-CG1 3.4Å; L28-I32 PolarHBondContact O-N 2.99Å
29	L	84.8	Confident	82.2	Confident	108 Å²	108	109.9 Å²	109.9	57%	0.565	52%	0.522	S	S	*	.	H	α-helix	trans	-54.3	-45.5	-177.9	-81.2	170	0	0	0	113.8	S25 I26 F31 I32 F33	S25-L29 WeakPolarHBondContact O-CG 3.36Å; S25-L29 PolarHBondContact O-N 2.74Å; I26-L29 PolarHBondContact O-N 3.32Å; L29-F31 VanDerWaalsContact C-N 3.35Å; L29-F31 PolarHBondContact O-N 2.7Å; L29-I32 PolarHBondContact O-N 2.57Å; L29-F33 WeakPolarHBondContact O-CB 3.36Å; L29-F33 PolarHBondContact O-N 2.85Å
30	P	84.6	Confident	81.9	Confident	75 Å²	75	108.3 Å²	108.3	49%	0.487	52%	0.52	S	S	.	.	H	α-helix	trans	-62.6	-38.1	174.8	-23	32.6	0	0	0	113.3	I26 F33 T34	I26-P30 WeakPolarHBondContact O-CD 3.29Å; P30-F33 PolarHBondContact O-N 3.33Å; P30-T34 WeakPolarHBondContact O-CB 3.43Å; P30-T34 WeakPolarHBondContact O-CG2 3.47Å; P30-T34 PolarHBondContact O-N 2.64Å; P30-T34 PolarHBondContact O-OG1 3.43Å
31	F	85.5	Confident	81.1	Confident	150 Å²	150	106.2 Å²	106.2	66%	0.658	52%	0.519	S	S	*	.	H	α-helix	trans	-67.3	-41.2	176.6	-79.6	-82.7	0	0	0	111.7	L27 L28 L29 T34 F35	L27-F31 WeakPolarHBondContact O-CD2 3.41Å; L28-F31 WeakPolarHBondContact O-CB 3.38Å; L28-F31 PolarHBondContact O-N 3.42Å; L29-F31 VanDerWaalsContact C-N 3.35Å; L29-F31 PolarHBondContact O-N 2.7Å; F31-T34 WeakPolarHBondContact CA-OG1 3.45Å; F31-T34 PolarHBondContact O-OG1 3.2Å; F31-T34 VanDerWaalsContact O-OG1 3.04Å; F31-F35 VanDerWaalsContact O-CB 3.22Å; F31-F35 WeakPolarHBondContact O-CB 3.34Å; F31-F35 PolarHBondContact O-N 2.98Å
32	I	84.8	Confident	80.4	Confident	90 Å²	90	106.4 Å²	106.4	46%	0.462	52%	0.519	S	S	.	.	H	α-helix	trans	-64.4	-45.7	175	-66.6	166.8	0	0	0	109.8	L28 L29 F35 I36	L28-I32 HydrophobicContact CB-CD1 4.28Å; L28-I32 WeakPolarHBondContact O-CG1 3.4Å; L28-I32 PolarHBondContact O-N 2.99Å; L29-I32 PolarHBondContact O-N 2.57Å; I32-F35 PolarHBondContact O-N 3.35Å; I32-I36 HydrophobicContact CG2-CD1 3.68Å; I32-I36 HydrophobicContact CG2-CG1 4.36Å; I32-I36 WeakPolarHBondContact O-CB 3.3Å; I32-I36 VanDerWaalsContact O-CG1 3.23Å; I32-I36 WeakPolarHBondContact O-CG1 3.17Å; I32-I36 PolarHBondContact O-N 3.08Å
33	F	84.5	Confident	79.3	Confident	120 Å²	120	106.9 Å²	106.9	53%	0.526	52%	0.518	S	S	.	.	H	α-helix	trans	-63.3	-45.6	180	-173.1	-98.7	0	0	0	112.3	L29 P30 I36 Q37	L29-F33 WeakPolarHBondContact O-CB 3.36Å; L29-F33 PolarHBondContact O-N 2.85Å; P30-F33 PolarHBondContact O-N 3.33Å; F33-I36 PolarHBondContact O-N 2.86Å; F33-Q37 HydrophobicContact CD1-CG 4.26Å; F33-Q37 HydrophobicContact CE1-CG 3.9Å; F33-Q37 VanDerWaalsContact CE1-NE2 3.33Å; F33-Q37 HydrophobicContact CZ-CG 4.16Å; F33-Q37 WeakPolarHBondContact O-CB 3.33Å; F33-Q37 WeakPolarHBondContact O-CG 3.46Å; F33-Q37 PolarHBondContact O-N 2.93Å
34	T	83.9	Confident	78.1	Confident	77 Å²	77	109 Å²	109	47%	0.472	52%	0.522	S	S	.	.	H	α-helix	trans	-65.6	-37.3	175.8	47.2	0	0	0	0	112.2	P30 F31 Q37 K38	P30-T34 WeakPolarHBondContact O-CB 3.43Å; P30-T34 WeakPolarHBondContact O-CG2 3.47Å; P30-T34 PolarHBondContact O-N 2.64Å; P30-T34 PolarHBondContact O-OG1 3.43Å; F31-T34 WeakPolarHBondContact CA-OG1 3.45Å; F31-T34 PolarHBondContact O-OG1 3.2Å; F31-T34 VanDerWaalsContact O-OG1 3.04Å; T34-Q37 PolarHBondContact O-N 2.84Å; T34-K38 VanDerWaalsContact O-CB 3.23Å; T34-K38 WeakPolarHBondContact O-CB 3.36Å; T34-K38 PolarHBondContact O-N 2.94Å
35	F	83.8	Confident	76.6	Confident	149 Å²	149	109.8 Å²	109.8	65%	0.654	53%	0.526	S	S	*	.	H	α-helix	trans	-64.1	-43.9	173.2	-173	-94	0	0	0	111.8	F31 I32 K38 Y39	F31-F35 VanDerWaalsContact O-CB 3.22Å; F31-F35 WeakPolarHBondContact O-CB 3.34Å; F31-F35 PolarHBondContact O-N 2.98Å; I32-F35 PolarHBondContact O-N 3.35Å; F35-K38 PolarHBondContact O-N 3.23Å; F35-Y39 WeakPolarHBondContact O-CB 3.46Å; F35-Y39 PolarHBondContact O-N 3.06Å
36	I	83.4	Confident	75.4	Confident	83 Å²	83	111.8 Å²	111.8	43%	0.426	53%	0.529	S	S	.	.	H	α-helix	trans	-62.5	-46.5	175.4	-70.1	168.1	0	0	0	110.6	I32 F33 Y39 H40	I32-I36 HydrophobicContact CG2-CD1 3.68Å; I32-I36 HydrophobicContact CG2-CG1 4.36Å; I32-I36 WeakPolarHBondContact O-CB 3.3Å; I32-I36 VanDerWaalsContact O-CG1 3.23Å; I32-I36 WeakPolarHBondContact O-CG1 3.17Å; I32-I36 PolarHBondContact O-N 3.08Å; F33-I36 PolarHBondContact O-N 2.86Å; I36-Y39 PolarHBondContact O-N 3.25Å; I36-H40 WeakPolarHBondContact O-CB 2.94Å; I36-H40 PolarHBondContact O-CD2 3.23Å; I36-H40 PolarHBondContact O-N 2.82Å
37	Q	80.9	Confident	73.9	Confident	108 Å²	108	112.4 Å²	112.4	51%	0.505	53%	0.532	S	S	.	.	H	α-helix	trans	-62.4	-44.7	177.1	-79.1	-168.7	-38	0	0	111.9	F33 T34 H40 L41	F33-Q37 HydrophobicContact CD1-CG 4.26Å; F33-Q37 HydrophobicContact CE1-CG 3.9Å; F33-Q37 VanDerWaalsContact CE1-NE2 3.33Å; F33-Q37 HydrophobicContact CZ-CG 4.16Å; F33-Q37 WeakPolarHBondContact O-CB 3.33Å; F33-Q37 WeakPolarHBondContact O-CG 3.46Å; F33-Q37 PolarHBondContact O-N 2.93Å; T34-Q37 PolarHBondContact O-N 2.84Å; Q37-H40 PolarHBondContact O-N 3.22Å; Q37-L41 WeakPolarHBondContact O-CB 3.27Å; Q37-L41 PolarHBondContact O-N 3.44Å
38	K	77.4	Confident	72.4	Confident	162 Å²	162	111 Å²	111	70%	0.704	53%	0.525	S	S	*	.	H	α-helix	trans	-67.2	-37.8	179	-164.6	176.5	-176.2	-179.2	0	111.7	T34 F35 L41 Y42	T34-K38 VanDerWaalsContact O-CB 3.23Å; T34-K38 WeakPolarHBondContact O-CB 3.36Å; T34-K38 PolarHBondContact O-N 2.94Å; F35-K38 PolarHBondContact O-N 3.23Å; K38-L41 PolarHBondContact O-N 2.91Å; K38-Y42 WeakPolarHBondContact O-CB 3.5Å; K38-Y42 PolarHBondContact O-N 2.89Å
39	Y	75.8	Confident	71.1	Confident	128 Å²	128	114.6 Å²	114.6	50%	0.502	54%	0.539	S	S	.	.	H	α-helix	trans	-64.7	-43.9	173.2	-179.5	-95.8	0	0	0	111.7	F35 I36 Y42 K43	F35-Y39 WeakPolarHBondContact O-CB 3.46Å; F35-Y39 PolarHBondContact O-N 3.06Å; I36-Y39 PolarHBondContact O-N 3.25Å; Y39-Y42 PolarHBondContact O-N 2.95Å; Y39-K43 HydrophobicContact CE1-CD 4.32Å; Y39-K43 VanDerWaalsContact O-CB 3.27Å; Y39-K43 WeakPolarHBondContact O-CB 3.47Å; Y39-K43 PolarHBondContact O-N 2.93Å
40	H	70.3	Confident	70.4	Confident	122 Å²	122	110.7 Å²	110.7	57%	0.565	52%	0.52	S	S	*	.	H	α-helix	trans	-63.6	-43.8	174.4	-92.6	-75.4	0	0	0	112.2	I36 Q37 K43 Y44	I36-H40 WeakPolarHBondContact O-CB 2.94Å; I36-H40 PolarHBondContact O-CD2 3.23Å; I36-H40 PolarHBondContact O-N 2.82Å; Q37-H40 PolarHBondContact O-N 3.22Å; H40-K43 PolarHBondContact O-N 2.8Å; H40-Y44 WeakPolarHBondContact O-CB 3.36Å; H40-Y44 PolarHBondContact O-N 3.27Å
41	L	62.8	Low	70.1	Confident	107 Å²	107	114 Å²	114	56%	0.56	52%	0.524	S	S	*	.	H	α-helix	trans	-65.7	-41.8	178	-163.5	77.8	0	0	0	111.3	Q37 K38 Y44 N45	Q37-L41 WeakPolarHBondContact O-CB 3.27Å; Q37-L41 PolarHBondContact O-N 3.44Å; K38-L41 PolarHBondContact O-N 2.91Å; L41-Y44 PolarHBondContact O-N 2.93Å; L41-N45 VanDerWaalsContact O-CB 3.31Å; L41-N45 WeakPolarHBondContact O-CB 3.13Å; L41-N45 PolarHBondContact O-N 2.86Å; L41-N45 PolarHBondContact O-ND2 2.97Å; L41-N45 PolarHBondContact O-OD1 3.48Å
42	Y	63.9	Low	69.8	Low	154 Å²	154	109.3 Å²	109.3	60%	0.604	51%	0.506	S	S	*	.	H	α-helix	trans	-61.4	-49.2	174.7	179.2	-91.9	0	0	0	111.5	K38 Y39 Y44 N45 E46	K38-Y42 WeakPolarHBondContact O-CB 3.5Å; K38-Y42 PolarHBondContact O-N 2.89Å; Y39-Y42 PolarHBondContact O-N 2.95Å; Y42-Y44 VanDerWaalsContact C-N 3.34Å; Y42-Y44 PolarHBondContact O-N 3.45Å; Y42-N45 PolarHBondContact O-N 3.16Å; Y42-E46 PolarHBondContact O-N 3.49Å
43	K	56.7	Low	69.9	Low	101 Å²	101	107.5 Å²	107.5	44%	0.439	50%	0.501	S	S	.	.	H	α-helix	trans	-64.8	-36.9	177.9	-171.3	179.9	179.7	-177.8	0	112.3	Y39 H40 I47	Y39-K43 HydrophobicContact CE1-CD 4.32Å; Y39-K43 VanDerWaalsContact O-CB 3.27Å; Y39-K43 WeakPolarHBondContact O-CB 3.47Å; Y39-K43 PolarHBondContact O-N 2.93Å; H40-K43 PolarHBondContact O-N 2.8Å; K43-I47 HydrophobicContact CG-CD1 4.4Å; K43-I47 WeakPolarHBondContact O-CD1 3.28Å; K43-I47 VanDerWaalsContact O-CG1 3.27Å; K43-I47 WeakPolarHBondContact O-CG1 3.33Å; K43-I47 PolarHBondContact O-N 3.34Å
44	Y	57.2	Low	70.3	Confident	136 Å²	136	102.7 Å²	102.7	53%	0.533	48%	0.48	S	S	.	.	H	α-helix	trans	-67.3	-45.3	176	-176.8	-91.1	0	0	0	111	H40 L41 Y42 E46 I47 D48	H40-Y44 WeakPolarHBondContact O-CB 3.36Å; H40-Y44 PolarHBondContact O-N 3.27Å; L41-Y44 PolarHBondContact O-N 2.93Å; Y42-Y44 VanDerWaalsContact C-N 3.34Å; Y42-Y44 PolarHBondContact O-N 3.45Å; Y44-E46 VanDerWaalsContact C-N 3.35Å; Y44-E46 PolarHBondContact O-N 2.82Å; Y44-I47 PolarHBondContact O-N 3.01Å; Y44-I47 VanDerWaalsContact O-N 3.16Å; Y44-D48 WeakPolarHBondContact CE1-OD2 3.16Å; Y44-D48 VanDerWaalsContact CZ-OD2 3.28Å; Y44-D48 PolarHBondContact O-N 3.39Å; Y44-D48 PolarHBondContact OH-OD2 3.17Å
45	N	52.4	Low	70.7	Confident	84 Å²	84	102.4 Å²	102.4	45%	0.449	48%	0.48	S	S	.	.	H	α-helix	trans	-61.7	-40.1	175.6	-71.5	-9	0	0	0	112	L41 Y42 I47 D48 E49	L41-N45 VanDerWaalsContact O-CB 3.31Å; L41-N45 WeakPolarHBondContact O-CB 3.13Å; L41-N45 PolarHBondContact O-N 2.86Å; L41-N45 PolarHBondContact O-ND2 2.97Å; L41-N45 PolarHBondContact O-OD1 3.48Å; Y42-N45 PolarHBondContact O-N 3.16Å; N45-I47 VanDerWaalsContact C-N 3.3Å; N45-I47 PolarHBondContact O-N 2.95Å; N45-D48 PolarHBondContact O-N 2.89Å; N45-E49 WeakPolarHBondContact O-CB 3.5Å; N45-E49 PolarHBondContact O-N 2.87Å
46	E	53.8	Low	71.2	Confident	101 Å²	101	98.5 Å²	98.5	47%	0.472	47%	0.469	S	S	.	.	H	α-helix	trans	-64.2	-32.6	176	-165.2	-178.5	-177.1	0	0	112.4	Y42 Y44	Y42-E46 PolarHBondContact O-N 3.49Å; Y44-E46 VanDerWaalsContact C-N 3.35Å; Y44-E46 PolarHBondContact O-N 2.82Å
47	I	52.9	Low	71.9	Confident	111 Å²	111	95 Å²	95	57%	0.569	45%	0.451	S	S	*	.	H	α-helix	trans	-72.4	-41.7	174.8	-67.5	164.2	0	0	0	111.1	K43 Y44 N45	K43-I47 HydrophobicContact CG-CD1 4.4Å; K43-I47 WeakPolarHBondContact O-CD1 3.28Å; K43-I47 VanDerWaalsContact O-CG1 3.27Å; K43-I47 WeakPolarHBondContact O-CG1 3.33Å; K43-I47 PolarHBondContact O-N 3.34Å; Y44-I47 PolarHBondContact O-N 3.01Å; Y44-I47 VanDerWaalsContact O-N 3.16Å; N45-I47 VanDerWaalsContact C-N 3.3Å; N45-I47 PolarHBondContact O-N 2.95Å
48	D	54.5	Low	72.6	Confident	82 Å²	82	96.4 Å²	96.4	44%	0.439	46%	0.457	S	S	.	.	H	α-helix	trans	-72.4	-31.1	178.7	-83.9	-6.8	0	0	0	112.5	Y44 N45 V50 Y51	Y44-D48 WeakPolarHBondContact CE1-OD2 3.16Å; Y44-D48 VanDerWaalsContact CZ-OD2 3.28Å; Y44-D48 PolarHBondContact O-N 3.39Å; Y44-D48 PolarHBondContact OH-OD2 3.17Å; N45-D48 PolarHBondContact O-N 2.89Å; D48-V50 PolarHBondContact O-N 3.01Å; D48-Y51 PolarHBondContact O-N 3.43Å
49	E	59.5	Low	73.4	Confident	158 Å²	158	92.4 Å²	92.4	74%	0.738	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.5	-177	-132	174.1	-179.9	0	0	113.8	N45	N45-E49 WeakPolarHBondContact O-CB 3.5Å; N45-E49 PolarHBondContact O-N 2.87Å
50	V	70.7	Confident	74.4	Confident	27 Å²	27	86.3 Å²	86.3	16%	0.164	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	0.2	-176.6	-161.5	0	0	0	0	112.3	D48 N52 S53 Y54 F69 N371	D48-V50 PolarHBondContact O-N 3.01Å; V50-N52 PolarHBondContact O-N 3.39Å; V50-S53 PolarHBondContact O-OG 3.48Å; V50-Y54 HydrophobicContact CG1-CD2 4.25Å; V50-Y54 HydrophobicContact CG1-CE2 3.63Å; V50-F69 HydrophobicContact CG1-CB 4.46Å; V50-F69 HydrophobicContact CG1-CD2 4.11Å; V50-F69 HydrophobicContact CG1-CG 4.17Å; V50-F69 HydrophobicContact CG2-CB 4.34Å; V50-N371 HydrophobicContact CG1-CB 4.45Å; V50-N371 WeakPolarHBondContact CG1-ND2 3.35Å; V50-N371 WeakPolarHBondContact O-CA 3.38Å; V50-N371 PolarHBondContact O-ND2 3.4Å
51	Y	76.7	Confident	75.7	Confident	144 Å²	144	83.4 Å²	83.4	57%	0.565	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	128.5	177.9	-168.6	-99.5	0	0	0	110.8	D48 S53 P370	D48-Y51 PolarHBondContact O-N 3.43Å; Y51-S53 PolarHBondContact O-N 3.08Å; Y51-P370 HydrophobicContact CD2-CB 3.97Å; Y51-P370 WeakPolarHBondContact CD2-O 3.48Å; Y51-P370 HydrophobicContact CE2-CB 3.75Å; Y51-P370 VanDerWaalsContact CE2-O 3.28Å; Y51-P370 WeakPolarHBondContact CE2-O 3.48Å
52	N	80.6	Confident	77.2	Confident	52 Å²	52	84.3 Å²	84.3	28%	0.278	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	23.7	-176.2	-66.6	-31.1	0	0	0	116	V50 P370 N371 L372 K373	V50-N52 PolarHBondContact O-N 3.39Å; N52-P370 PolarHBondContact N-O 3.17Å; N52-N371 CarbonylContact C-O 3.57Å; N52-L372 PolarHBondContact OD1-O 2.99Å; N52-K373 HydrophobicContact CB-CG 4.47Å; N52-K373 VanDerWaalsContact O-CE 3.26Å; N52-K373 WeakPolarHBondContact O-CE 3.44Å; N52-K373 WeakPolarHBondContact O-CG 3.43Å
53	S	86.4	Confident	78.7	Confident	51 Å²	51	77.9 Å²	77.9	36%	0.357	38%	0.378	S	S	.	.			trans	-77.6	-32	-176.3	61.6	0	0	0	0	112.4	V50 Y51 N371	V50-S53 PolarHBondContact O-OG 3.48Å; Y51-S53 PolarHBondContact O-N 3.08Å; S53-N371 PolarHBondContact N-O 3.19Å
54	Y	93.6	Very high	80.6	Confident	20 Å²	20	74.7 Å²	74.7	8%	0.078	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-90.5	134.9	-172.7	-70.2	-76.8	0	0	0	113.4	V50 E59 L60 D63 F69 N371 K373	V50-Y54 HydrophobicContact CG1-CD2 4.25Å; V50-Y54 HydrophobicContact CG1-CE2 3.63Å; Y54-E59 HydrophobicContact CD1-CB 4.24Å; Y54-E59 HydrophobicContact CD1-CG 3.77Å; Y54-E59 HydrophobicContact CE1-CG 4.11Å; Y54-L60 HydrophobicContact CD1-CB 4Å; Y54-L60 HydrophobicContact CD2-CB 4.06Å; Y54-L60 HydrophobicContact CD2-CD1 3.77Å; Y54-L60 HydrophobicContact CD2-CG 3.86Å; Y54-L60 HydrophobicContact CE2-CG 4.27Å; Y54-L60 HydrophobicContact CG-CB 3.71Å; Y54-L60 HydrophobicContact CG-CD1 4.08Å; Y54-L60 HydrophobicContact CG-CG 4.06Å; Y54-D63 HydrophobicContact CE1-CB 4.01Å; Y54-D63 WeakPolarHBondContact CE1-OD2 3.34Å; Y54-D63 VanDerWaalsContact OH-CB 3.23Å; Y54-D63 WeakPolarHBondContact OH-CB 3.05Å; Y54-D63 PolarHBondContact OH-OD2 3.38Å; Y54-F69 HydrophobicContact CE2-CD1 4.13Å; Y54-F69 AromaticContact CE2-CE1 3.76Å; Y54-F69 HydrophobicContact CE2-CE1 3.76Å; Y54-F69 HydrophobicContact CE2-CZ 4.13Å; Y54-F69 AromaticContact CZ-CE1 3.83Å; Y54-F69 WeakPolarHBondContact OH-CD1 3.46Å; Y54-N371 HydrophobicContact CD2-CB 4.39Å; Y54-N371 PolarHBondContact N-O 3.41Å; Y54-N371 VanDerWaalsContact N-O 3.12Å; Y54-K373 PolarHBondContact O-N 3.29Å
55	S	91.8	Very high	82.4	Confident	70 Å²	70	72.1 Å²	72.1	49%	0.49	36%	0.363	S	S	.	.	S	Bend	trans	-83	-33.6	179.6	67.2	0	0	0	0	113.1	E59	S55-E59 PolarHBondContact N-OE2 2.86Å; S55-E59 PolarHBondContact OG-OE2 3.05Å
56	T	94.5	Very high	84.5	Confident	68 Å²	68	73 Å²	73	42%	0.417	37%	0.368	S	S	.	.			trans	-136.1	151.3	-177.1	68.1	0	0	0	0	111.1	H58 E59 L60	T56-H58 PolarHBondContact O-N 3.3Å; T56-E59 PolarHBondContact O-N 2.04Å; T56-E59 WeakPolarHBondContact OG1-CB 3.42Å; T56-E59 PolarHBondContact OG1-N 3.24Å; T56-L60 PolarHBondContact O-N 3.42Å
57	F	96.7	Very high	86.3	Confident	9 Å²	9	71 Å²	71	4%	0.039	37%	0.374	C	S	.	.	H	α-helix	trans	-62	-31.5	173.5	-178.8	-118.8	0	0	0	112.6	L60 K61 T166 I167 D361 L364 L365 L372	F57-L60 PolarHBondContact O-N 2.74Å; F57-K61 HydrophobicContact CE1-CD 4.23Å; F57-K61 HydrophobicContact CZ-CB 4.48Å; F57-K61 HydrophobicContact CZ-CD 4.43Å; F57-K61 VanDerWaalsContact O-CB 3.22Å; F57-K61 WeakPolarHBondContact O-CB 3.05Å; F57-K61 PolarHBondContact O-N 3.3Å; F57-T166 HydrophobicContact CB-CG2 3.6Å; F57-T166 HydrophobicContact CD1-CG2 4.34Å; F57-T166 HydrophobicContact CG-CG2 4.26Å; F57-I167 HydrophobicContact CD1-CD1 4.43Å; F57-I167 HydrophobicContact CD1-CG1 3.75Å; F57-I167 HydrophobicContact CE1-CD1 4.03Å; F57-I167 HydrophobicContact CE1-CG1 3.68Å; F57-D361 HydrophobicContact CE1-CB 4.29Å; F57-D361 HydrophobicContact CZ-CB 4.48Å; F57-L364 HydrophobicContact CE2-CD2 4.19Å; F57-L364 HydrophobicContact CE2-CG 3.96Å; F57-L364 HydrophobicContact CZ-CB 4.26Å; F57-L364 HydrophobicContact CZ-CD2 3.91Å; F57-L364 HydrophobicContact CZ-CG 3.98Å; F57-L365 HydrophobicContact CB-CD1 4.38Å; F57-L365 HydrophobicContact CD2-CB 4.29Å; F57-L365 HydrophobicContact CD2-CD1 3.54Å; F57-L365 HydrophobicContact CD2-CG 4.49Å; F57-L365 HydrophobicContact CE2-CB 3.78Å; F57-L365 HydrophobicContact CE2-CD1 3.93Å; F57-L365 HydrophobicContact CE2-CG 4.45Å; F57-L365 HydrophobicContact CG-CD1 3.96Å; F57-L365 HydrophobicContact CZ-CB 3.96Å; F57-L372 HydrophobicContact CD2-CD1 4.43Å
58	H	95.8	Very high	88.1	Confident	138 Å²	138	72.3 Å²	72.3	64%	0.639	38%	0.375	S	S	*	.	H	α-helix	trans	-63.4	-48	177.8	-178.5	78.2	0	0	0	112.2	T56 K61 K62	T56-H58 PolarHBondContact O-N 3.3Å; H58-K61 PolarHBondContact O-N 3.44Å; H58-K62 WeakPolarHBondContact O-CB 3.39Å; H58-K62 PolarHBondContact O-N 3.15Å
59	E	95.4	Very high	89.9	Confident	78 Å²	78	69.2 Å²	69.2	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-59.3	-48.4	176.2	-173.1	-173.7	-173.4	0	0	111	Y54 S55 T56 K62 D63	Y54-E59 HydrophobicContact CD1-CB 4.24Å; Y54-E59 HydrophobicContact CD1-CG 3.77Å; Y54-E59 HydrophobicContact CE1-CG 4.11Å; S55-E59 PolarHBondContact N-OE2 2.86Å; S55-E59 PolarHBondContact OG-OE2 3.05Å; T56-E59 PolarHBondContact O-N 2.04Å; T56-E59 WeakPolarHBondContact OG1-CB 3.42Å; T56-E59 PolarHBondContact OG1-N 3.24Å; E59-K62 WeakPolarHBondContact O-CB 3.24Å; E59-K62 PolarHBondContact O-N 2.88Å; E59-D63 PolarHBondContact O-N 3.48Å; E59-D63 VanDerWaalsContact O-N 3.09Å
60	L	96	Very high	91.4	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-59.4	-50.8	177.5	-174.9	154.4	0	0	0	111.9	Y54 T56 F57 K62 D63 F64 F69 A368 N371 L372	Y54-L60 HydrophobicContact CD1-CB 4Å; Y54-L60 HydrophobicContact CD2-CB 4.06Å; Y54-L60 HydrophobicContact CD2-CD1 3.77Å; Y54-L60 HydrophobicContact CD2-CG 3.86Å; Y54-L60 HydrophobicContact CE2-CG 4.27Å; Y54-L60 HydrophobicContact CG-CB 3.71Å; Y54-L60 HydrophobicContact CG-CD1 4.08Å; Y54-L60 HydrophobicContact CG-CG 4.06Å; T56-L60 PolarHBondContact O-N 3.42Å; F57-L60 PolarHBondContact O-N 2.74Å; L60-K62 VanDerWaalsContact C-N 3.27Å; L60-K62 PolarHBondContact O-N 3.08Å; L60-D63 PolarHBondContact O-N 2.82Å; L60-F64 WeakPolarHBondContact O-CB 3.46Å; L60-F64 PolarHBondContact O-N 2.84Å; L60-F69 HydrophobicContact CD1-CZ 4.49Å; L60-F69 HydrophobicContact CD2-CZ 3.8Å; L60-F69 HydrophobicContact CG-CE1 4.36Å; L60-F69 HydrophobicContact CG-CZ 3.75Å; L60-A368 HydrophobicContact CD1-CB 3.74Å; L60-A368 HydrophobicContact CD2-CB 3.61Å; L60-A368 HydrophobicContact CG-CB 4.38Å; L60-N371 HydrophobicContact CD1-CB 3.72Å; L60-L372 HydrophobicContact CB-CD2 4.15Å; L60-L372 HydrophobicContact CD1-CD2 3.65Å; L60-L372 HydrophobicContact CD1-CG 3.77Å
61	K	96.8	Very high	92.4	Very high	60 Å²	60	70.6 Å²	70.6	26%	0.261	36%	0.36	S	S	.	.	H	α-helix	trans	-59	-41.6	-179.4	179.6	177.2	-177.9	-175.8	0	110.7	F57 H58 F64 V65 D361 L364	F57-K61 HydrophobicContact CE1-CD 4.23Å; F57-K61 HydrophobicContact CZ-CB 4.48Å; F57-K61 HydrophobicContact CZ-CD 4.43Å; F57-K61 VanDerWaalsContact O-CB 3.22Å; F57-K61 WeakPolarHBondContact O-CB 3.05Å; F57-K61 PolarHBondContact O-N 3.3Å; H58-K61 PolarHBondContact O-N 3.44Å; K61-F64 PolarHBondContact O-N 2.88Å; K61-V65 HydrophobicContact CG-CG2 4.38Å; K61-V65 WeakPolarHBondContact O-CB 3.46Å; K61-V65 WeakPolarHBondContact O-CG2 3.24Å; K61-V65 PolarHBondContact O-N 2.93Å; K61-D361 WeakPolarHBondContact CE-OD1 3.41Å; K61-D361 IonicContact NZ-OD1 2.84Å; K61-D361 PolarHBondContact NZ-OD1 3.02Å; K61-D361 IonicContact NZ-OD2 3.64Å; K61-D361 PolarHBondContact NZ-OD2 2.95Å; K61-L364 HydrophobicContact CB-CD2 4.18Å; K61-L364 HydrophobicContact CD-CD2 4.21Å; K61-L364 HydrophobicContact CG-CD2 3.75Å
62	K	96.1	Very high	92.9	Very high	126 Å²	126	68.9 Å²	68.9	55%	0.548	36%	0.361	S	S	.	.	H	α-helix	trans	-60.3	-48.1	177.1	-178.3	-177.7	178.8	-177.6	0	111.5	H58 E59 L60 V65 N66	H58-K62 WeakPolarHBondContact O-CB 3.39Å; H58-K62 PolarHBondContact O-N 3.15Å; E59-K62 WeakPolarHBondContact O-CB 3.24Å; E59-K62 PolarHBondContact O-N 2.88Å; L60-K62 VanDerWaalsContact C-N 3.27Å; L60-K62 PolarHBondContact O-N 3.08Å; K62-V65 PolarHBondContact O-N 2.8Å; K62-N66 WeakPolarHBondContact O-CB 3.44Å; K62-N66 VanDerWaalsContact O-CG 3.24Å; K62-N66 PolarHBondContact O-N 3.08Å; K62-N66 PolarHBondContact O-ND2 3.42Å
63	D	95.5	Very high	93.5	Very high	20 Å²	20	69.7 Å²	69.7	11%	0.107	37%	0.368	C	S	.	.	H	α-helix	trans	-68.9	-37.3	-179.4	-83.3	4.1	0	0	0	112.8	Y54 E59 L60 N66 G67 K68 F69	Y54-D63 HydrophobicContact CE1-CB 4.01Å; Y54-D63 WeakPolarHBondContact CE1-OD2 3.34Å; Y54-D63 VanDerWaalsContact OH-CB 3.23Å; Y54-D63 WeakPolarHBondContact OH-CB 3.05Å; Y54-D63 PolarHBondContact OH-OD2 3.38Å; E59-D63 PolarHBondContact O-N 3.48Å; E59-D63 VanDerWaalsContact O-N 3.09Å; L60-D63 PolarHBondContact O-N 2.82Å; D63-N66 CarbonylContact O-C 3.51Å; D63-N66 PolarHBondContact O-N 3.31Å; D63-G67 PolarHBondContact O-N 3.38Å; D63-K68 HydrophobicContact CB-CB 4.15Å; D63-K68 HydrophobicContact CB-CD 4.09Å; D63-K68 HydrophobicContact CB-CG 4.35Å; D63-K68 WeakPolarHBondContact O-CB 3.26Å; D63-K68 PolarHBondContact O-N 2.81Å; D63-K68 WeakPolarHBondContact OD1-CD 3.45Å; D63-K68 VanDerWaalsContact OD1-CE 3.24Å; D63-K68 WeakPolarHBondContact OD1-CE 3.44Å; D63-K68 IonicContact OD1-NZ 2.73Å; D63-K68 PolarHBondContact OD1-NZ 3.47Å; D63-K68 IonicContact OD2-NZ 3.37Å; D63-K68 PolarHBondContact OD2-NZ 2.99Å; D63-F69 HydrophobicContact CB-CD1 4.19Å; D63-F69 HydrophobicContact CB-CE1 3.94Å
64	F	95.7	Very high	93.8	Very high	33 Å²	33	75.5 Å²	75.5	15%	0.145	39%	0.389	C	S	.	.	H	α-helix	trans	-61.5	-48.7	173.3	175.1	-107.4	0	0	0	111.7	L60 K61 N66 G67 F69 L71 L97 V98 L364	L60-F64 WeakPolarHBondContact O-CB 3.46Å; L60-F64 PolarHBondContact O-N 2.84Å; K61-F64 PolarHBondContact O-N 2.88Å; F64-N66 VanDerWaalsContact C-N 3.25Å; F64-N66 PolarHBondContact O-N 2.66Å; F64-G67 PolarHBondContact O-N 3.25Å; F64-F69 HydrophobicContact CB-CE1 3.8Å; F64-F69 HydrophobicContact CB-CZ 3.7Å; F64-F69 HydrophobicContact CD2-CE2 4.39Å; F64-F69 HydrophobicContact CD2-CZ 4.35Å; F64-F69 HydrophobicContact CG-CZ 4.46Å; F64-L71 HydrophobicContact CD2-CD1 3.91Å; F64-L71 HydrophobicContact CD2-CG 4Å; F64-L71 HydrophobicContact CE2-CB 4.28Å; F64-L71 HydrophobicContact CE2-CD1 3.8Å; F64-L71 HydrophobicContact CE2-CG 3.96Å; F64-L71 HydrophobicContact CG-CD1 4.41Å; F64-L71 HydrophobicContact CZ-CD1 4.22Å; F64-L97 HydrophobicContact CE1-CB 3.87Å; F64-L97 HydrophobicContact CE1-CD1 4.12Å; F64-L97 HydrophobicContact CZ-CB 4.45Å; F64-V98 HydrophobicContact CE1-CG2 3.79Å; F64-V98 HydrophobicContact CE2-CG2 4.41Å; F64-V98 HydrophobicContact CZ-CG2 3.48Å; F64-V98 VanDerWaalsContact CZ-CG2 3.48Å; F64-L364 HydrophobicContact CD1-CD1 3.59Å; F64-L364 HydrophobicContact CD1-CD2 4.15Å; F64-L364 HydrophobicContact CE1-CD1 3.64Å; F64-L364 HydrophobicContact CG-CD1 4.11Å; F64-L364 HydrophobicContact CZ-CD1 4.21Å
65	V	95.4	Very high	93.8	Very high	82 Å²	82	80.5 Å²	80.5	50%	0.497	41%	0.412	S	S	.	.	H	α-helix	trans	-62.1	-35	178.2	169.8	0	0	0	0	111.6	K61 K62 G67 L97	K61-V65 HydrophobicContact CG-CG2 4.38Å; K61-V65 WeakPolarHBondContact O-CB 3.46Å; K61-V65 WeakPolarHBondContact O-CG2 3.24Å; K61-V65 PolarHBondContact O-N 2.93Å; K62-V65 PolarHBondContact O-N 2.8Å; V65-G67 PolarHBondContact O-N 2.97Å; V65-L97 HydrophobicContact CG2-CD1 3.78Å
66	N	95.6	Very high	94.1	Very high	104 Å²	104	82 Å²	82	56%	0.556	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	3	175.8	-66.8	-32.2	0	0	0	113.6	K62 D63 F64 K68	K62-N66 WeakPolarHBondContact O-CB 3.44Å; K62-N66 VanDerWaalsContact O-CG 3.24Å; K62-N66 PolarHBondContact O-N 3.08Å; K62-N66 PolarHBondContact O-ND2 3.42Å; D63-N66 CarbonylContact O-C 3.51Å; D63-N66 PolarHBondContact O-N 3.31Å; F64-N66 VanDerWaalsContact C-N 3.25Å; F64-N66 PolarHBondContact O-N 2.66Å; N66-K68 VanDerWaalsContact C-N 3.33Å; N66-K68 HydrophobicContact CB-CG 4.48Å; N66-K68 PolarHBondContact O-N 2.72Å
67	G	92.5	Very high	94.2	Very high	59 Å²	59	80.2 Å²	80.2	61%	0.608	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	19.9	176.3	0	0	0	0	0	115.1	D63 F64 V65 F69	D63-G67 PolarHBondContact O-N 3.38Å; F64-G67 PolarHBondContact O-N 3.25Å; V65-G67 PolarHBondContact O-N 2.97Å; G67-F69 VanDerWaalsContact C-N 3.26Å; G67-F69 PolarHBondContact O-N 3.2Å
68	K	91.2	Very high	94.2	Very high	137 Å²	137	81.9 Å²	81.9	60%	0.596	41%	0.407	S	S	*	.	S	Bend	trans	-69.7	-22.8	-179.2	-66.3	-160.8	-167.5	159.4	0	113.9	D63 N66	D63-K68 HydrophobicContact CB-CB 4.15Å; D63-K68 HydrophobicContact CB-CD 4.09Å; D63-K68 HydrophobicContact CB-CG 4.35Å; D63-K68 WeakPolarHBondContact O-CB 3.26Å; D63-K68 PolarHBondContact O-N 2.81Å; D63-K68 WeakPolarHBondContact OD1-CD 3.45Å; D63-K68 VanDerWaalsContact OD1-CE 3.24Å; D63-K68 WeakPolarHBondContact OD1-CE 3.44Å; D63-K68 IonicContact OD1-NZ 2.73Å; D63-K68 PolarHBondContact OD1-NZ 3.47Å; D63-K68 IonicContact OD2-NZ 3.37Å; D63-K68 PolarHBondContact OD2-NZ 2.99Å; N66-K68 VanDerWaalsContact C-N 3.33Å; N66-K68 HydrophobicContact CB-CG 4.48Å; N66-K68 PolarHBondContact O-N 2.72Å
69	F	90.7	Very high	94.3	Very high	17 Å²	17	75.3 Å²	75.3	8%	0.075	38%	0.377	C	S	.	.	S	Bend	trans	-151.7	168.7	173.9	72.2	-81.2	0	0	0	109.2	V50 Y54 L60 D63 F64 G67 L71	V50-F69 HydrophobicContact CG1-CB 4.46Å; V50-F69 HydrophobicContact CG1-CD2 4.11Å; V50-F69 HydrophobicContact CG1-CG 4.17Å; V50-F69 HydrophobicContact CG2-CB 4.34Å; Y54-F69 HydrophobicContact CE2-CD1 4.13Å; Y54-F69 AromaticContact CE2-CE1 3.76Å; Y54-F69 HydrophobicContact CE2-CE1 3.76Å; Y54-F69 HydrophobicContact CE2-CZ 4.13Å; Y54-F69 AromaticContact CZ-CE1 3.83Å; Y54-F69 WeakPolarHBondContact OH-CD1 3.46Å; L60-F69 HydrophobicContact CD1-CZ 4.49Å; L60-F69 HydrophobicContact CD2-CZ 3.8Å; L60-F69 HydrophobicContact CG-CE1 4.36Å; L60-F69 HydrophobicContact CG-CZ 3.75Å; D63-F69 HydrophobicContact CB-CD1 4.19Å; D63-F69 HydrophobicContact CB-CE1 3.94Å; F64-F69 HydrophobicContact CB-CE1 3.8Å; F64-F69 HydrophobicContact CB-CZ 3.7Å; F64-F69 HydrophobicContact CD2-CE2 4.39Å; F64-F69 HydrophobicContact CD2-CZ 4.35Å; F64-F69 HydrophobicContact CG-CZ 4.46Å; G67-F69 VanDerWaalsContact C-N 3.26Å; G67-F69 PolarHBondContact O-N 3.2Å; F69-L71 HydrophobicContact CE2-CD2 3.73Å; F69-L71 HydrophobicContact CE2-CG 3.94Å
70	K	90.9	Very high	94.3	Very high	198 Å²	198	71.6 Å²	71.6	86%	0.861	36%	0.36	S	S	*	.			trans	-118.5	143.9	176.6	-64.8	-177.8	-178.5	177	0	110.3
71	L	92.1	Very high	94.3	Very high	17 Å²	17	72 Å²	72	9%	0.089	36%	0.362	C	S	.	.			trans	-88.6	139.9	172.5	-71.1	169.7	0	0	0	110.2	F64 F69 T73 V98 L364 N367 A368	F64-L71 HydrophobicContact CD2-CD1 3.91Å; F64-L71 HydrophobicContact CD2-CG 4Å; F64-L71 HydrophobicContact CE2-CB 4.28Å; F64-L71 HydrophobicContact CE2-CD1 3.8Å; F64-L71 HydrophobicContact CE2-CG 3.96Å; F64-L71 HydrophobicContact CG-CD1 4.41Å; F64-L71 HydrophobicContact CZ-CD1 4.22Å; F69-L71 HydrophobicContact CE2-CD2 3.73Å; F69-L71 HydrophobicContact CE2-CG 3.94Å; L71-T73 HydrophobicContact CB-CG2 4.36Å; L71-T73 PolarHBondContact O-N 2.02Å; L71-V98 HydrophobicContact CD1-CG2 4.2Å; L71-L364 HydrophobicContact CD1-CD1 3.32Å; L71-N367 HydrophobicContact CD1-CB 4.18Å; L71-A368 HydrophobicContact CD2-CB 4.23Å
72	N	87.8	Confident	94.2	Very high	108 Å²	108	70.8 Å²	70.8	58%	0.578	36%	0.356	S	S	*	.			trans	-71.7	113.3	167.2	-176.8	-13	0	0	0	109.1	E74 N367	N72-E74 WeakPolarHBondContact OD1-CB 3.15Å; N72-E74 WeakPolarHBondContact OD1-CG 3.38Å; N72-E74 PolarHBondContact OD1-N 2.89Å; N72-N367 PolarHBondContact O-OD1 3.35Å
73	T	92.8	Very high	94	Very high	69 Å²	69	66.1 Å²	66.1	42%	0.423	34%	0.344	S	S	.	.			trans	-111.6	13	-177.4	51.4	0	0	0	0	113.3	L71 V98 N100	L71-T73 HydrophobicContact CB-CG2 4.36Å; L71-T73 PolarHBondContact O-N 2.02Å; T73-V98 HydrophobicContact CG2-CG1 4.02Å; T73-N100 VanDerWaalsContact CA-ND2 3.34Å; T73-N100 WeakPolarHBondContact CA-ND2 3.4Å; T73-N100 WeakPolarHBondContact CG2-OD1 3.23Å; T73-N100 WeakPolarHBondContact O-CB 3.38Å; T73-N100 PolarHBondContact O-ND2 2.87Å; T73-N100 VanDerWaalsContact O-ND2 3.17Å
74	E	93.3	Very high	93.7	Very high	173 Å²	173	73.6 Å²	73.6	81%	0.808	38%	0.375	S	S	*	.	S	Bend	trans	-67.3	-40.3	-179.7	-66.5	175.7	174.5	0	0	112.2	N72	N72-E74 WeakPolarHBondContact OD1-CB 3.15Å; N72-E74 WeakPolarHBondContact OD1-CG 3.38Å; N72-E74 PolarHBondContact OD1-N 2.89Å
75	K	94.4	Very high	93.5	Very high	125 Å²	125	74 Å²	74	54%	0.543	38%	0.381	S	S	.	.	S	Bend	trans	-84.8	127.5	178.6	-169.5	-170.8	179.6	-158.9	0	110.3	K77 N100 E114	K75-K77 PolarHBondContact O-N 3.18Å; K75-N100 PolarHBondContact O-ND2 3.41Å; K75-E114 IonicContact NZ-OE1 2.73Å; K75-E114 PolarHBondContact NZ-OE1 3.42Å
76	I	96.8	Very high	93.2	Very high	100 Å²	100	74.5 Å²	74.5	51%	0.513	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-64.4	131.1	169.2	-62	174.7	0	0	0	109.7	N100 V102	I76-N100 CarbonylContact C-O 3.58Å; I76-N100 WeakPolarHBondContact CA-O 3.3Å; I76-V102 HydrophobicContact CG2-CG2 3.69Å
77	K	96.4	Very high	93	Very high	31 Å²	31	70.8 Å²	70.8	14%	0.135	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	128	174.5	-53.1	-64.4	176.7	167.2	0	110.7	K75 N100 C101 V102 E114 A366 N367	K75-K77 PolarHBondContact O-N 3.18Å; K77-N100 PolarHBondContact N-O 2.83Å; K77-C101 HydrophobicContact CB-CB 4.31Å; K77-C101 CarbonylContact O-C 3.5Å; K77-C101 WeakPolarHBondContact O-CA 3.16Å; K77-C101 WeakPolarHBondContact O-CB 3.42Å; K77-V102 PolarHBondContact O-N 3.1Å; K77-E114 WeakPolarHBondContact CA-OE2 3.23Å; K77-E114 HydrophobicContact CD-CG 3.97Å; K77-A366 HydrophobicContact CB-CB 4.14Å; K77-A366 HydrophobicContact CG-CB 4.4Å; K77-N367 WeakPolarHBondContact CE-OD1 3.46Å
78	E	96.8	Very high	93.1	Very high	45 Å²	45	73.1 Å²	73.1	21%	0.21	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	126	175.1	-65.4	-126.6	169.9	0	0	109.9	H104 R109 A113 E114 M115	E78-H104 IonicContact OE1-NE2 3.46Å; E78-H104 PolarHBondContact OE1-NE2 2.78Å; E78-H104 IonicContact OE2-CD2 3.21Å; E78-H104 PolarHBondContact OE2-CD2 3.19Å; E78-H104 VanDerWaalsContact OE2-CD2 3.23Å; E78-H104 IonicContact OE2-CE1 3.92Å; E78-H104 IonicContact OE2-NE2 2.7Å; E78-H104 PolarHBondContact OE2-NE2 2.71Å; E78-R109 IonicContact OE1-NH1 3.07Å; E78-R109 PolarHBondContact OE1-NH1 3.22Å; E78-R109 VanDerWaalsContact OE1-NH1 3.12Å; E78-R109 IonicContact OE2-NH1 2.71Å; E78-R109 PolarHBondContact OE2-NH1 2.98Å; E78-A113 HydrophobicContact CB-CB 4.42Å; E78-A113 CarbonylContact O-C 3.59Å; E78-A113 VanDerWaalsContact O-CA 3.3Å; E78-A113 WeakPolarHBondContact O-CA 3.41Å; E78-A113 WeakPolarHBondContact O-CB 3.37Å; E78-E114 PolarHBondContact N-OE2 3.24Å; E78-E114 PolarHBondContact O-N 3.36Å; E78-M115 PolarHBondContact O-N 3.32Å
79	I	97.8	Very high	93.2	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.6	179.5	-58	173.6	0	0	0	108.2	C101 V102 L103 H104 M115 I117 F362 A366	I79-C101 HydrophobicContact CD1-CB 4.02Å; I79-V102 PolarHBondContact N-O 3.49Å; I79-L103 HydrophobicContact CB-CG 4.24Å; I79-L103 HydrophobicContact CD1-CD1 4.36Å; I79-L103 HydrophobicContact CG2-CG 4.45Å; I79-L103 CarbonylContact O-C 3.55Å; I79-L103 WeakPolarHBondContact O-CA 3.23Å; I79-H104 PolarHBondContact O-N 3.21Å; I79-M115 CarbonylContact C-O 3.6Å; I79-M115 VanDerWaalsContact CA-O 3.31Å; I79-M115 WeakPolarHBondContact CA-O 3.36Å; I79-M115 HydrophobicContact CD1-CE 3.94Å; I79-M115 HydrophobicContact CG1-CB 4.35Å; I79-M115 HydrophobicContact CG1-CE 4.26Å; I79-M115 HydrophobicContact CG2-CB 4.45Å; I79-M115 HydrophobicContact CG2-CE 3.9Å; I79-I117 HydrophobicContact CG2-CD1 3.62Å; I79-I117 HydrophobicContact CG2-CG1 3.92Å; I79-F362 HydrophobicContact CD1-CB 4.25Å; I79-A366 HydrophobicContact CD1-CB 3.85Å; I79-A366 HydrophobicContact CG1-CB 4.11Å
80	V	96.8	Very high	93.5	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.6	-178.7	173.7	0	0	0	0	111	Y82 H104 R109 A113 M115 V116 I117	V80-Y82 HydrophobicContact CG1-CD2 4.22Å; V80-Y82 PolarHBondContact O-N 2.85Å; V80-H104 CarbonylContact C-O 3.6Å; V80-H104 WeakPolarHBondContact CA-O 3.47Å; V80-H104 HydrophobicContact CG2-CB 4.07Å; V80-R109 HydrophobicContact CG2-CB 3.63Å; V80-A113 HydrophobicContact CB-CB 4.27Å; V80-A113 HydrophobicContact CG2-CB 3.6Å; V80-M115 PolarHBondContact N-O 3.36Å; V80-V116 HydrophobicContact CB-CG1 4.47Å; V80-I117 PolarHBondContact O-N 3.5Å
81	I	96	Very high	93.7	Very high	8 Å²	8	63.4 Å²	63.4	4%	0.041	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	99.4	168.7	-56	166.7	0	0	0	107.9	G83 T85 I89 T91 L103 H104 I117 T119	I81-G83 PolarHBondContact O-N 3.08Å; I81-T85 HydrophobicContact CG2-CG2 4.04Å; I81-I89 HydrophobicContact CD1-CB 4Å; I81-I89 HydrophobicContact CD1-CD1 4.15Å; I81-I89 HydrophobicContact CD1-CG2 4.12Å; I81-I89 HydrophobicContact CG1-CD1 4.17Å; I81-I89 HydrophobicContact CG2-CD1 4.22Å; I81-T91 HydrophobicContact CD1-CG2 4.46Å; I81-L103 HydrophobicContact CD1-CD2 4.32Å; I81-H104 PolarHBondContact N-O 3.35Å; I81-I117 HydrophobicContact CG1-CD1 4.24Å; I81-T119 HydrophobicContact CG2-CG2 3.96Å
82	Y	94.7	Very high	93.9	Very high	34 Å²	34	64.9 Å²	64.9	13%	0.133	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	96	-176	-153.6	-77.3	0	0	0	110.4	V80 K107 V116 I117 T119 N122 F123 P124	V80-Y82 HydrophobicContact CG1-CD2 4.22Å; V80-Y82 PolarHBondContact O-N 2.85Å; Y82-K107 HydrophobicContact CD2-CB 4.32Å; Y82-K107 HydrophobicContact CD2-CG 4.26Å; Y82-K107 HydrophobicContact CE1-CD 4.24Å; Y82-K107 HydrophobicContact CE2-CB 3.75Å; Y82-K107 HydrophobicContact CE2-CD 4.31Å; Y82-K107 HydrophobicContact CE2-CG 3.92Å; Y82-V116 HydrophobicContact CD2-CG1 4.26Å; Y82-V116 HydrophobicContact CG-CG1 4.35Å; Y82-I117 WeakPolarHBondContact CA-O 3.3Å; Y82-I117 WeakPolarHBondContact CB-O 3.3Å; Y82-I117 PolarHBondContact N-O 3.3Å; Y82-T119 PolarHBondContact O-N 2.89Å; Y82-T119 PolarHBondContact O-OG1 2.89Å; Y82-N122 VanDerWaalsContact CD1-O 3.25Å; Y82-N122 WeakPolarHBondContact CD1-O 3.48Å; Y82-N122 HydrophobicContact CE1-CB 4.21Å; Y82-F123 VanDerWaalsContact CE1-CA 3.44Å; Y82-P124 HydrophobicContact CD2-CG 3.76Å; Y82-P124 HydrophobicContact CE2-CB 4.45Å; Y82-P124 HydrophobicContact CE2-CG 3.59Å; Y82-P124 HydrophobicContact CG-CG 4.35Å
83	G	90.7	Very high	94.4	Very high	29 Å²	29	60.3 Å²	60.3	30%	0.299	32%	0.32	S	S	.	.	S	Bend	trans	117.7	-156.2	175.2	0	0	0	0	0	113.8	I81 T119	I81-G83 PolarHBondContact O-N 3.08Å; G83-T119 VanDerWaalsContact CA-OG1 3.23Å; G83-T119 WeakPolarHBondContact CA-OG1 3.41Å
84	K	89.8	Confident	94.5	Very high	176 Å²	176	66.3 Å²	66.3	77%	0.765	34%	0.335	S	S	*	.			trans	-111.1	129.7	-179.2	-68.1	-173.6	178.7	-176.3	0	108.1	T119 N120	K84-T119 PolarHBondContact N-OG1 3.36Å; K84-T119 VanDerWaalsContact N-OG1 3.16Å; K84-T119 PolarHBondContact O-OG1 3.43Å; K84-N120 PolarHBondContact N-ND2 2.95Å
85	T	91	Very high	94.7	Very high	43 Å²	43	62.1 Å²	62.1	26%	0.264	34%	0.338	S	S	.	.			trans	-92.6	148.2	177.4	61.6	0	0	0	0	111.5	I81 V87 I89 T119 Y137	I81-T85 HydrophobicContact CG2-CG2 4.04Å; T85-V87 WeakPolarHBondContact CB-O 3.22Å; T85-V87 PolarHBondContact OG1-O 3.12Å; T85-I89 HydrophobicContact CG2-CD1 3.84Å; T85-I89 HydrophobicContact CG2-CG1 4.22Å; T85-T119 HydrophobicContact CG2-CG2 3.48Å; T85-T119 VanDerWaalsContact CG2-CG2 3.48Å; T85-Y137 HydrophobicContact CG2-CD1 3.87Å; T85-Y137 HydrophobicContact CG2-CE1 3.78Å
86	T	88.9	Confident	94.8	Very high	91 Å²	91	56.9 Å²	56.9	56%	0.558	32%	0.317	S	S	*	.	S	Bend	trans	-73.7	-45.1	170.2	-50.6	0	0	0	0	110.8	E140	T86-E140 HydrophobicContact CG2-CG 4.17Å
87	V	91.9	Very high	94.7	Very high	26 Å²	26	58.2 Å²	58.2	16%	0.158	33%	0.325	C	S	.	.	S	Bend	trans	-102.7	125.1	170.9	178	0	0	0	0	107.8	T85 Y137 Y139 F354	T85-V87 WeakPolarHBondContact CB-O 3.22Å; T85-V87 PolarHBondContact OG1-O 3.12Å; V87-Y137 PolarHBondContact O-OH 3.19Å; V87-Y139 HydrophobicContact CB-CD2 3.74Å; V87-Y139 HydrophobicContact CB-CE2 3.89Å; V87-Y139 HydrophobicContact CB-CG 4.27Å; V87-Y139 HydrophobicContact CG1-CD2 4.46Å; V87-Y139 HydrophobicContact CG1-CE2 4.11Å; V87-Y139 HydrophobicContact CG2-CD1 4.03Å; V87-Y139 HydrophobicContact CG2-CD2 3.62Å; V87-Y139 HydrophobicContact CG2-CE1 4.41Å; V87-Y139 HydrophobicContact CG2-CE2 4.02Å; V87-Y139 HydrophobicContact CG2-CG 3.6Å; V87-F354 HydrophobicContact CG1-CD1 4.33Å; V87-F354 HydrophobicContact CG1-CE1 4.44Å; V87-F354 HydrophobicContact CG2-CE1 3.89Å
88	P	93.5	Very high	94.8	Very high	108 Å²	108	57 Å²	57	70%	0.701	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-60.7	137.1	178.6	-24.9	35	0	0	0	112.4
89	I	95.2	Very high	94.8	Very high	9 Å²	9	58.4 Å²	58.4	5%	0.046	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-91.6	126	168.5	-58.9	163.2	0	0	0	107.2	I81 T85 L103 I117 Y137 E359 F362	I81-I89 HydrophobicContact CD1-CB 4Å; I81-I89 HydrophobicContact CD1-CD1 4.15Å; I81-I89 HydrophobicContact CD1-CG2 4.12Å; I81-I89 HydrophobicContact CG1-CD1 4.17Å; I81-I89 HydrophobicContact CG2-CD1 4.22Å; T85-I89 HydrophobicContact CG2-CD1 3.84Å; T85-I89 HydrophobicContact CG2-CG1 4.22Å; I89-L103 HydrophobicContact CG2-CD2 3.95Å; I89-I117 HydrophobicContact CD1-CD1 4.43Å; I89-I117 HydrophobicContact CD1-CG2 4.29Å; I89-Y137 HydrophobicContact CD1-CD1 4.03Å; I89-Y137 HydrophobicContact CD1-CD2 4.42Å; I89-Y137 HydrophobicContact CD1-CE1 3.98Å; I89-Y137 HydrophobicContact CD1-CE2 4.32Å; I89-Y137 HydrophobicContact CD1-CG 4.24Å; I89-Y137 HydrophobicContact CG1-CD1 4.49Å; I89-Y137 HydrophobicContact CG1-CE1 3.94Å; I89-Y137 HydrophobicContact CG1-CE2 4.16Å; I89-E359 HydrophobicContact CG2-CB 3.96Å; I89-F362 HydrophobicContact CD1-CE2 3.81Å; I89-F362 HydrophobicContact CG1-CE2 4.16Å; I89-F362 HydrophobicContact CG2-CD2 4.24Å; I89-F362 HydrophobicContact CG2-CE2 4.04Å
90	N	95.4	Very high	94.8	Very high	72 Å²	72	59.7 Å²	59.7	39%	0.385	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-70.5	136.7	173.4	-172.9	2.3	0	0	0	109.3	D92 E359	N90-D92 WeakPolarHBondContact OD1-CB 3.48Å; N90-D92 PolarHBondContact OD1-N 3.17Å; N90-E359 HydrophobicContact CB-CG 4.32Å; N90-E359 WeakPolarHBondContact O-CB 3.48Å; N90-E359 VanDerWaalsContact O-CG 3.24Å; N90-E359 WeakPolarHBondContact O-CG 3.4Å
91	T	95.9	Very high	94.9	Very high	67 Å²	67	60.3 Å²	60.3	41%	0.411	35%	0.345	S	S	.	.			trans	-94.6	-6.1	178.2	55.2	0	0	0	0	112.7	I81 L103	I81-T91 HydrophobicContact CD1-CG2 4.46Å; T91-L103 HydrophobicContact CG2-CB 3.98Å
92	D	96.2	Very high	95	Very high	49 Å²	49	62.7 Å²	62.7	26%	0.262	36%	0.361	S	S	.	.			trans	-89.3	118.9	176.8	179.1	12.9	0	0	0	111.3	N90 R94 R357	N90-D92 WeakPolarHBondContact OD1-CB 3.48Å; N90-D92 PolarHBondContact OD1-N 3.17Å; D92-R94 VanDerWaalsContact CG-NE 3.35Å; D92-R94 WeakPolarHBondContact OD1-CB 3.46Å; D92-R94 VanDerWaalsContact OD1-CG 3.23Å; D92-R94 WeakPolarHBondContact OD1-CG 3.43Å; D92-R94 PolarHBondContact OD1-N 2.98Å; D92-R94 IonicContact OD1-NE 2.66Å; D92-R94 PolarHBondContact OD1-NE 2.95Å; D92-R94 IonicContact OD2-CZ 2.77Å; D92-R94 IonicContact OD2-NE 3.42Å; D92-R94 PolarHBondContact OD2-NE 3.35Å; D92-R94 IonicContact OD2-NH2 3.85Å; D92-R94 PolarHBondContact OD2-NH2 3.04Å; D92-R357 PolarHBondContact O-NH2 3.39Å
93	L	97.7	Very high	95.1	Very high	12 Å²	12	61.8 Å²	61.8	6%	0.063	36%	0.358	C	S	.	.			trans	-95.8	9.2	-177.3	-59.7	174.4	0	0	0	113.3	G95 C96 C101 L103 E359 C363	L93-G95 PolarHBondContact O-N 2.83Å; L93-C96 WeakPolarHBondContact O-CB 3.08Å; L93-C96 PolarHBondContact O-N 3.16Å; L93-C96 PolarHBondContact O-SG 3.16Å; L93-C96 VanDerWaalsContact O-SG 3.37Å; L93-C101 HydrophobicContact CD1-CB 3.75Å; L93-C101 VanDerWaalsContact CD1-O 3.25Å; L93-C101 WeakPolarHBondContact CD1-O 3.49Å; L93-L103 HydrophobicContact CD1-CD1 3.97Å; L93-L103 HydrophobicContact CD2-CD1 4.08Å; L93-L103 HydrophobicContact CG-CD1 4.25Å; L93-E359 HydrophobicContact CD2-CB 3.91Å; L93-E359 HydrophobicContact CD2-CG 3.8Å; L93-E359 WeakPolarHBondContact CD2-O 3.49Å; L93-C363 HydrophobicContact CD1-CB 4.1Å; L93-C363 HydrophobicContact CD2-CB 4.22Å
94	R	96.2	Very high	95.4	Very high	194 Å²	194	61.8 Å²	61.8	73%	0.732	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	129.5	173	-75	179.5	-62.9	171.3	2	110.5	D92 C96	D92-R94 VanDerWaalsContact CG-NE 3.35Å; D92-R94 WeakPolarHBondContact OD1-CB 3.46Å; D92-R94 VanDerWaalsContact OD1-CG 3.23Å; D92-R94 WeakPolarHBondContact OD1-CG 3.43Å; D92-R94 PolarHBondContact OD1-N 2.98Å; D92-R94 IonicContact OD1-NE 2.66Å; D92-R94 PolarHBondContact OD1-NE 2.95Å; D92-R94 IonicContact OD2-CZ 2.77Å; D92-R94 IonicContact OD2-NE 3.42Å; D92-R94 PolarHBondContact OD2-NE 3.35Å; D92-R94 IonicContact OD2-NH2 3.85Å; D92-R94 PolarHBondContact OD2-NH2 3.04Å; R94-C96 VanDerWaalsContact C-N 3.34Å
95	G	95.7	Very high	95.6	Very high	85 Å²	85	60.5 Å²	60.5	88%	0.876	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	-4.2	-178.3	0	0	0	0	0	115.2	L93	L93-G95 PolarHBondContact O-N 2.83Å
96	C	97.7	Very high	95.7	Very high	16 Å²	16	61.7 Å²	61.7	11%	0.108	35%	0.352	C	S	.	.			trans	-73.7	148.1	170.3	-57.6	0	0	0	0	110.8	L93 R94 V98 C360	L93-C96 WeakPolarHBondContact O-CB 3.08Å; L93-C96 PolarHBondContact O-N 3.16Å; L93-C96 PolarHBondContact O-SG 3.16Å; L93-C96 VanDerWaalsContact O-SG 3.37Å; R94-C96 VanDerWaalsContact C-N 3.34Å; C96-V98 VanDerWaalsContact CB-O 3.23Å; C96-V98 WeakPolarHBondContact CB-O 3.35Å; C96-V98 PolarHBondContact O-N 3.47Å; C96-C360 VanDerWaalsContact CA-SG 3.56Å; C96-C360 HydrophobicContact CB-CB 3.67Å; C96-C360 WeakPolarHBondContact CB-SG 3.44Å; C96-C360 WeakPolarHBondContact SG-CA 3.38Å; C96-C360 WeakPolarHBondContact SG-CB 3.4Å; C96-C360 CovalentContact SG-SG 2.04Å; C96-C360 PolarHBondContact SG-SG 3.35Å
97	L	95.4	Very high	95.9	Very high	128 Å²	128	62.1 Å²	62.1	67%	0.67	35%	0.346	S	S	*	.	S	Bend	trans	-63.9	-27.9	174.2	-66.3	174.3	0	0	0	112.8	F64 V65	F64-L97 HydrophobicContact CE1-CB 3.87Å; F64-L97 HydrophobicContact CE1-CD1 4.12Å; F64-L97 HydrophobicContact CZ-CB 4.45Å; V65-L97 HydrophobicContact CG2-CD1 3.78Å
98	V	97.3	Very high	95.9	Very high	6 Å²	6	67.5 Å²	67.5	4%	0.036	36%	0.363	C	S	.	.			trans	-129.9	127.8	175	-177	0	0	0	0	107.3	F64 L71 T73 C96 N100 C363 L364 N367	F64-V98 HydrophobicContact CE1-CG2 3.79Å; F64-V98 HydrophobicContact CE2-CG2 4.41Å; F64-V98 HydrophobicContact CZ-CG2 3.48Å; F64-V98 VanDerWaalsContact CZ-CG2 3.48Å; L71-V98 HydrophobicContact CD1-CG2 4.2Å; T73-V98 HydrophobicContact CG2-CG1 4.02Å; C96-V98 VanDerWaalsContact CB-O 3.23Å; C96-V98 WeakPolarHBondContact CB-O 3.35Å; C96-V98 PolarHBondContact O-N 3.47Å; V98-N100 WeakPolarHBondContact CG1-OD1 2.85Å; V98-C363 PolarHBondContact O-SG 3.24Å; V98-L364 HydrophobicContact CG2-CD1 3.72Å; V98-N367 HydrophobicContact CG1-CB 4.26Å; V98-N367 VanDerWaalsContact CG1-ND2 3.29Å; V98-N367 WeakPolarHBondContact CG1-ND2 3.44Å
99	S	97.3	Very high	95.9	Very high	74 Å²	74	65.9 Å²	65.9	52%	0.517	34%	0.343	S	S	.	.			trans	-138.1	3	-170.7	59.2	0	0	0	0	114.3	C101	S99-C101 PolarHBondContact O-N 3.18Å
100	N	97.6	Very high	95.8	Very high	26 Å²	26	65.7 Å²	65.7	14%	0.139	34%	0.343	C	S	.	.			trans	-76.3	43	176.1	66.5	-53	0	0	0	112.4	T73 K75 I76 K77 V98 N367	T73-N100 VanDerWaalsContact CA-ND2 3.34Å; T73-N100 WeakPolarHBondContact CA-ND2 3.4Å; T73-N100 WeakPolarHBondContact CG2-OD1 3.23Å; T73-N100 WeakPolarHBondContact O-CB 3.38Å; T73-N100 PolarHBondContact O-ND2 2.87Å; T73-N100 VanDerWaalsContact O-ND2 3.17Å; K75-N100 PolarHBondContact O-ND2 3.41Å; I76-N100 CarbonylContact C-O 3.58Å; I76-N100 WeakPolarHBondContact CA-O 3.3Å; K77-N100 PolarHBondContact N-O 2.83Å; V98-N100 WeakPolarHBondContact CG1-OD1 2.85Å; N100-N367 PolarHBondContact ND2-OD1 2.95Å; N100-N367 PolarHBondContact OD1-ND2 2.94Å; N100-N367 VanDerWaalsContact OD1-ND2 3.1Å; N100-N367 PolarHBondContact OD1-OD1 3.16Å
101	C	98.3	Very high	95.6	Very high	13 Å²	13	68.8 Å²	68.8	9%	0.088	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	154.5	177.1	-48.2	0	0	0	0	111.7	K77 I79 L93 S99 L103 C363 N367	K77-C101 HydrophobicContact CB-CB 4.31Å; K77-C101 CarbonylContact O-C 3.5Å; K77-C101 WeakPolarHBondContact O-CA 3.16Å; K77-C101 WeakPolarHBondContact O-CB 3.42Å; I79-C101 HydrophobicContact CD1-CB 4.02Å; L93-C101 HydrophobicContact CD1-CB 3.75Å; L93-C101 VanDerWaalsContact CD1-O 3.25Å; L93-C101 WeakPolarHBondContact CD1-O 3.49Å; S99-C101 PolarHBondContact O-N 3.18Å; C101-L103 HydrophobicContact CB-CD1 4.42Å; C101-C363 HydrophobicContact CB-CB 3.76Å; C101-C363 WeakPolarHBondContact CB-SG 3.44Å; C101-C363 WeakPolarHBondContact SG-CA 3.26Å; C101-C363 WeakPolarHBondContact SG-CB 3.28Å; C101-C363 CovalentContact SG-SG 2.04Å; C101-C363 PolarHBondContact SG-SG 3.39Å; C101-N367 PolarHBondContact SG-ND2 3.18Å; C101-N367 VanDerWaalsContact SG-ND2 3.4Å
102	V	97.9	Very high	95.4	Very high	59 Å²	59	73.2 Å²	73.2	36%	0.358	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.7	171.8	-171.7	0	0	0	0	109	I76 K77 I79 H104	I76-V102 HydrophobicContact CG2-CG2 3.69Å; K77-V102 PolarHBondContact O-N 3.1Å; I79-V102 PolarHBondContact N-O 3.49Å; V102-H104 VanDerWaalsContact CG1-CE1 3.44Å; V102-H104 WeakPolarHBondContact CG1-CE1 3.32Å; V102-H104 WeakPolarHBondContact CG1-NE2 3.44Å; V102-H104 PolarHBondContact O-CD2 3.02Å
103	L	97.8	Very high	95.3	Very high	15 Å²	15	70.9 Å²	70.9	8%	0.079	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	110.2	179.2	-77.2	75.7	0	0	0	110	I79 I81 I89 T91 L93 C101 E359	I79-L103 HydrophobicContact CB-CG 4.24Å; I79-L103 HydrophobicContact CD1-CD1 4.36Å; I79-L103 HydrophobicContact CG2-CG 4.45Å; I79-L103 CarbonylContact O-C 3.55Å; I79-L103 WeakPolarHBondContact O-CA 3.23Å; I81-L103 HydrophobicContact CD1-CD2 4.32Å; I89-L103 HydrophobicContact CG2-CD2 3.95Å; T91-L103 HydrophobicContact CG2-CB 3.98Å; L93-L103 HydrophobicContact CD1-CD1 3.97Å; L93-L103 HydrophobicContact CD2-CD1 4.08Å; L93-L103 HydrophobicContact CG-CD1 4.25Å; C101-L103 HydrophobicContact CB-CD1 4.42Å; L103-E359 HydrophobicContact CD2-CB 3.9Å
104	H	96.5	Very high	95.2	Very high	28 Å²	28	71.4 Å²	71.4	13%	0.13	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	138.1	179.2	-62.7	-79.9	0	0	0	111.8	E78 I79 V80 I81 V102 R109	E78-H104 IonicContact OE1-NE2 3.46Å; E78-H104 PolarHBondContact OE1-NE2 2.78Å; E78-H104 IonicContact OE2-CD2 3.21Å; E78-H104 PolarHBondContact OE2-CD2 3.19Å; E78-H104 VanDerWaalsContact OE2-CD2 3.23Å; E78-H104 IonicContact OE2-CE1 3.92Å; E78-H104 IonicContact OE2-NE2 2.7Å; E78-H104 PolarHBondContact OE2-NE2 2.71Å; I79-H104 PolarHBondContact O-N 3.21Å; V80-H104 CarbonylContact C-O 3.6Å; V80-H104 WeakPolarHBondContact CA-O 3.47Å; V80-H104 HydrophobicContact CG2-CB 4.07Å; I81-H104 PolarHBondContact N-O 3.35Å; V102-H104 VanDerWaalsContact CG1-CE1 3.44Å; V102-H104 WeakPolarHBondContact CG1-CE1 3.32Å; V102-H104 WeakPolarHBondContact CG1-NE2 3.44Å; V102-H104 PolarHBondContact O-CD2 3.02Å; H104-R109 HydrophobicContact CB-CB 4.05Å; H104-R109 HydrophobicContact CB-CG 4.17Å; H104-R109 PolarHBondContact CE1-NH1 3.41Å; H104-R109 VanDerWaalsContact CE1-NH1 3.32Å
105	K	94.6	Very high	95.2	Very high	150 Å²	150	62.2 Å²	62.2	65%	0.652	32%	0.315	S	S	*	.			trans	-93.6	-9.1	164.8	-63.3	178.9	-178	174.1	0	112.3	K107	K105-K107 PolarHBondContact O-N 3.12Å
106	T	93.7	Very high	95.3	Very high	68 Å²	68	58.1 Å²	58.1	42%	0.417	27%	0.274	S	S	.	.			trans	-78.9	113.5	-177.4	-53.3	0	0	0	0	110.5	W108 R109	T106-W108 HydrophobicContact CG2-CG 4.14Å; T106-W108 PolarHBondContact O-N 3.02Å; T106-R109 WeakPolarHBondContact O-CB 3.42Å; T106-R109 PolarHBondContact O-N 2.98Å; T106-R109 VanDerWaalsContact O-N 3.14Å
107	K	92.8	Very high	95.2	Very high	100 Å²	100	57.4 Å²	57.4	44%	0.435	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-56.6	-42.4	-171.1	-67.6	-179.2	-179	178	0	114.8	Y82 K105 R109 S110	Y82-K107 HydrophobicContact CD2-CB 4.32Å; Y82-K107 HydrophobicContact CD2-CG 4.26Å; Y82-K107 HydrophobicContact CE1-CD 4.24Å; Y82-K107 HydrophobicContact CE2-CB 3.75Å; Y82-K107 HydrophobicContact CE2-CD 4.31Å; Y82-K107 HydrophobicContact CE2-CG 3.92Å; K105-K107 PolarHBondContact O-N 3.12Å; K107-R109 PolarHBondContact O-N 2.9Å; K107-R109 VanDerWaalsContact O-N 3.16Å; K107-S110 WeakPolarHBondContact O-CB 3.44Å; K107-S110 PolarHBondContact O-N 3.06Å; K107-S110 PolarHBondContact O-OG 2.99Å
108	W	91.6	Very high	95.2	Very high	138 Å²	138	51.3 Å²	51.3	52%	0.523	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-64.2	-21.1	-176.7	70.8	-105.3	0	0	0	112.8	T106 S110 Y111 Y112	T106-W108 HydrophobicContact CG2-CG 4.14Å; T106-W108 PolarHBondContact O-N 3.02Å; W108-S110 PolarHBondContact O-N 2.87Å; W108-Y111 WeakPolarHBondContact O-CD2 3.47Å; W108-Y111 PolarHBondContact O-N 2.82Å; W108-Y111 VanDerWaalsContact O-N 3.14Å; W108-Y112 HydrophobicContact CE3-CE2 4.25Å; W108-Y112 HydrophobicContact CZ3-CD2 4.11Å; W108-Y112 AromaticContact CZ3-CE2 3.85Å; W108-Y112 HydrophobicContact CZ3-CE2 3.85Å
109	R	93.3	Very high	95	Very high	74 Å²	74	51.2 Å²	51.2	28%	0.279	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-60.5	-15.9	173.9	-71	-75.6	-175.9	132.2	-6.9	112.6	E78 V80 H104 T106 K107 Y111 Y112 A113	E78-R109 IonicContact OE1-NH1 3.07Å; E78-R109 PolarHBondContact OE1-NH1 3.22Å; E78-R109 VanDerWaalsContact OE1-NH1 3.12Å; E78-R109 IonicContact OE2-NH1 2.71Å; E78-R109 PolarHBondContact OE2-NH1 2.98Å; V80-R109 HydrophobicContact CG2-CB 3.63Å; H104-R109 HydrophobicContact CB-CB 4.05Å; H104-R109 HydrophobicContact CB-CG 4.17Å; H104-R109 PolarHBondContact CE1-NH1 3.41Å; H104-R109 VanDerWaalsContact CE1-NH1 3.32Å; T106-R109 WeakPolarHBondContact O-CB 3.42Å; T106-R109 PolarHBondContact O-N 2.98Å; T106-R109 VanDerWaalsContact O-N 3.14Å; K107-R109 PolarHBondContact O-N 2.9Å; K107-R109 VanDerWaalsContact O-N 3.16Å; R109-Y111 PolarHBondContact O-N 2.93Å; R109-Y112 PolarHBondContact O-N 3.03Å; R109-A113 PolarHBondContact O-N 3.04Å
110	S	93.5	Very high	94.4	Very high	6 Å²	6	48.8 Å²	48.8	4%	0.042	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-60.5	-15.4	174.9	66.7	0	0	0	0	113.7	K107 W108 Y112 N128 Q132	K107-S110 WeakPolarHBondContact O-CB 3.44Å; K107-S110 PolarHBondContact O-N 3.06Å; K107-S110 PolarHBondContact O-OG 2.99Å; W108-S110 PolarHBondContact O-N 2.87Å; S110-Y112 VanDerWaalsContact C-N 3.3Å; S110-N128 PolarHBondContact O-ND2 3.24Å; S110-Q132 PolarHBondContact O-NE2 3.17Å
111	Y	91.2	Very high	93.7	Very high	136 Å²	136	48.7 Å²	48.7	53%	0.533	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-66.6	-31.4	172.9	-72.8	-68.6	0	0	0	113.2	W108 R109 N128	W108-Y111 WeakPolarHBondContact O-CD2 3.47Å; W108-Y111 PolarHBondContact O-N 2.82Å; W108-Y111 VanDerWaalsContact O-N 3.14Å; R109-Y111 PolarHBondContact O-N 2.93Å; Y111-N128 WeakPolarHBondContact CA-ND2 3.39Å; Y111-N128 HydrophobicContact CD1-CB 4.28Å; Y111-N128 VanDerWaalsContact CD1-CG 3.4Å; Y111-N128 WeakPolarHBondContact CD1-OD1 3.36Å; Y111-N128 VanDerWaalsContact CE1-OD1 3.3Å; Y111-N128 WeakPolarHBondContact CE1-OD1 3.48Å
112	Y	90.9	Very high	93.3	Very high	160 Å²	160	52.7 Å²	52.7	63%	0.627	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-7.6	-173.5	-53.8	-74	0	0	0	113.5	W108 R109 S110	W108-Y112 HydrophobicContact CE3-CE2 4.25Å; W108-Y112 HydrophobicContact CZ3-CD2 4.11Å; W108-Y112 AromaticContact CZ3-CE2 3.85Å; W108-Y112 HydrophobicContact CZ3-CE2 3.85Å; R109-Y112 PolarHBondContact O-N 3.03Å; S110-Y112 VanDerWaalsContact C-N 3.3Å
113	A	95.1	Very high	93	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	23%	0.234	C	C	.	.			trans	-73.2	132.8	-173.6	0	0	0	0	0	112.8	E78 V80 R109 M115 V116 H129 Q132	E78-A113 HydrophobicContact CB-CB 4.42Å; E78-A113 CarbonylContact O-C 3.59Å; E78-A113 VanDerWaalsContact O-CA 3.3Å; E78-A113 WeakPolarHBondContact O-CA 3.41Å; E78-A113 WeakPolarHBondContact O-CB 3.37Å; V80-A113 HydrophobicContact CB-CB 4.27Å; V80-A113 HydrophobicContact CG2-CB 3.6Å; R109-A113 PolarHBondContact O-N 3.04Å; A113-M115 VanDerWaalsContact C-N 3.26Å; A113-M115 PolarHBondContact O-N 3.02Å; A113-V116 HydrophobicContact CB-CG2 4.45Å; A113-H129 PolarHBondContact O-NE2 2.94Å; A113-H129 VanDerWaalsContact O-NE2 3.16Å; A113-Q132 WeakPolarHBondContact O-CG 3.02Å; A113-Q132 PolarHBondContact O-NE2 3.1Å
114	E	94.8	Very high	92.6	Very high	24 Å²	24	51.4 Å²	51.4	11%	0.112	23%	0.233	C	C	.	.	S	Bend	trans	-63.1	-33.9	168.1	-77.6	80.5	-173.4	0	0	112.3	K75 K77 E78 Q132 A133	K75-E114 IonicContact NZ-OE1 2.73Å; K75-E114 PolarHBondContact NZ-OE1 3.42Å; K77-E114 WeakPolarHBondContact CA-OE2 3.23Å; K77-E114 HydrophobicContact CD-CG 3.97Å; E78-E114 PolarHBondContact N-OE2 3.24Å; E78-E114 PolarHBondContact O-N 3.36Å; E114-Q132 WeakPolarHBondContact O-CA 3.34Å; E114-A133 PolarHBondContact O-N 3.08Å
115	M	96.7	Very high	92.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	137.7	178.9	-169.2	171.3	63.2	0	0	112.9	E78 I79 V80 A113 I117 A133 L135 F362 L365 A366	E78-M115 PolarHBondContact O-N 3.32Å; I79-M115 CarbonylContact C-O 3.6Å; I79-M115 VanDerWaalsContact CA-O 3.31Å; I79-M115 WeakPolarHBondContact CA-O 3.36Å; I79-M115 HydrophobicContact CD1-CE 3.94Å; I79-M115 HydrophobicContact CG1-CB 4.35Å; I79-M115 HydrophobicContact CG1-CE 4.26Å; I79-M115 HydrophobicContact CG2-CB 4.45Å; I79-M115 HydrophobicContact CG2-CE 3.9Å; V80-M115 PolarHBondContact N-O 3.36Å; A113-M115 VanDerWaalsContact C-N 3.26Å; A113-M115 PolarHBondContact O-N 3.02Å; M115-I117 HydrophobicContact CE-CG1 4.37Å; M115-A133 CarbonylContact C-O 3.44Å; M115-A133 VanDerWaalsContact CA-O 3.25Å; M115-A133 WeakPolarHBondContact CA-O 3.46Å; M115-A133 HydrophobicContact CG-CB 4.25Å; M115-A133 WeakPolarHBondContact CG-O 3.29Å; M115-L135 HydrophobicContact SD-CB 4.18Å; M115-L135 HydrophobicContact SD-CD1 4.34Å; M115-F362 HydrophobicContact CE-CB 3.67Å; M115-F362 HydrophobicContact CE-CD1 4.45Å; M115-F362 HydrophobicContact CE-CG 4.24Å; M115-F362 WeakPolarHBondContact CE-O 3.27Å; M115-L365 HydrophobicContact SD-CD2 3.93Å; M115-L365 HydrophobicContact SD-CG 4.26Å; M115-A366 HydrophobicContact CE-CB 4.46Å
116	V	96.9	Very high	91.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	119.5	174.5	-169.7	0	0	0	0	109.4	V80 Y82 A113 I118 P124 Q132 A133 W134 L135	V80-V116 HydrophobicContact CB-CG1 4.47Å; Y82-V116 HydrophobicContact CD2-CG1 4.26Å; Y82-V116 HydrophobicContact CG-CG1 4.35Å; A113-V116 HydrophobicContact CB-CG2 4.45Å; V116-I118 HydrophobicContact CG1-CD1 3.77Å; V116-P124 HydrophobicContact CG1-CG 4.2Å; V116-Q132 HydrophobicContact CG2-CG 4.11Å; V116-A133 PolarHBondContact N-O 3.08Å; V116-W134 HydrophobicContact CB-CG 4.37Å; V116-W134 WeakPolarHBondContact O-CA 3.32Å; V116-L135 PolarHBondContact O-N 2.77Å
117	I	97	Very high	90.9	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	111.7	176.8	-57.5	173.1	0	0	0	108.3	I79 V80 I81 Y82 I89 M115 T119 L135 Y137 F362	I79-I117 HydrophobicContact CG2-CD1 3.62Å; I79-I117 HydrophobicContact CG2-CG1 3.92Å; V80-I117 PolarHBondContact O-N 3.5Å; I81-I117 HydrophobicContact CG1-CD1 4.24Å; Y82-I117 WeakPolarHBondContact CA-O 3.3Å; Y82-I117 WeakPolarHBondContact CB-O 3.3Å; Y82-I117 PolarHBondContact N-O 3.3Å; I89-I117 HydrophobicContact CD1-CD1 4.43Å; I89-I117 HydrophobicContact CD1-CG2 4.29Å; M115-I117 HydrophobicContact CE-CG1 4.37Å; I117-T119 HydrophobicContact CG2-CG2 3.95Å; I117-L135 CarbonylContact C-O 3.02Å; I117-L135 WeakPolarHBondContact CA-O 3.43Å; I117-L135 HydrophobicContact CG1-CD2 4.42Å; I117-L135 HydrophobicContact CG2-CD2 4.03Å; I117-Y137 HydrophobicContact CG2-CG 4.26Å; I117-F362 HydrophobicContact CD1-CB 4.39Å; I117-F362 HydrophobicContact CD1-CD1 4.48Å; I117-F362 HydrophobicContact CD1-CD2 3.34Å; I117-F362 HydrophobicContact CD1-CE2 3.65Å; I117-F362 HydrophobicContact CD1-CG 3.83Å; I117-F362 HydrophobicContact CD1-CZ 4.34Å
118	I	95.6	Very high	90.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	122.7	177	-52.8	-53.6	0	0	0	109	V116 F123 W134 L135 Y137 L147 L151 I155	V116-I118 HydrophobicContact CG1-CD1 3.77Å; I118-F123 HydrophobicContact CD1-CB 3.73Å; I118-F123 HydrophobicContact CG1-CB 4.41Å; I118-F123 HydrophobicContact CG2-CB 4.1Å; I118-W134 HydrophobicContact CD1-CD2 4.49Å; I118-W134 HydrophobicContact CD1-CE3 4.3Å; I118-W134 HydrophobicContact CG1-CD2 4.5Å; I118-W134 HydrophobicContact CG1-CE3 4.15Å; I118-L135 PolarHBondContact N-O 3.46Å; I118-Y137 PolarHBondContact O-N 2.97Å; I118-L147 HydrophobicContact CG2-CD2 4.4Å; I118-L151 HydrophobicContact CG2-CD1 4.2Å; I118-L151 HydrophobicContact CG2-CD2 4.31Å; I118-I155 HydrophobicContact CB-CD1 4.42Å; I118-I155 HydrophobicContact CG1-CD1 4.05Å
119	T	92.8	Very high	89.7	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.031	24%	0.239	C	C	.	.			trans	-118.7	-12.8	-169.1	61.4	0	0	0	0	113.9	I81 Y82 G83 K84 T85 I117 Y137 H138	I81-T119 HydrophobicContact CG2-CG2 3.96Å; Y82-T119 PolarHBondContact O-N 2.89Å; Y82-T119 PolarHBondContact O-OG1 2.89Å; G83-T119 VanDerWaalsContact CA-OG1 3.23Å; G83-T119 WeakPolarHBondContact CA-OG1 3.41Å; K84-T119 PolarHBondContact N-OG1 3.36Å; K84-T119 VanDerWaalsContact N-OG1 3.16Å; K84-T119 PolarHBondContact O-OG1 3.43Å; T85-T119 HydrophobicContact CG2-CG2 3.48Å; T85-T119 VanDerWaalsContact CG2-CG2 3.48Å; I117-T119 HydrophobicContact CG2-CG2 3.95Å; T119-Y137 HydrophobicContact CG2-CD1 4.23Å; T119-H138 VanDerWaalsContact C-CE1 3.4Å; T119-H138 PolarHBondContact O-CE1 2.9Å; T119-H138 PolarHBondContact O-NE2 3.43Å
120	N	84.2	Confident	89	Confident	23 Å²	23	56.8 Å²	56.8	12%	0.123	27%	0.27	C	S	.	.	S	Bend	trans	-163.3	-160	-177.5	65.5	28.9	0	0	0	111.2	K84 N122 R146	K84-N120 PolarHBondContact N-ND2 2.95Å; N120-N122 PolarHBondContact O-N 2.83Å; N120-N122 PolarHBondContact OD1-N 3.03Å; N120-R146 CarbonylContact C-O 3.58Å; N120-R146 HydrophobicContact CB-CB 4.19Å
121	G	83.3	Confident	88.6	Confident	24 Å²	24	63 Å²	63	25%	0.247	30%	0.302	C	S	.	.	S	Bend	trans	-74	-10.9	-171.5	0	0	0	0	0	114.4	R146 N148	G121-R146 WeakPolarHBondContact CA-O 3.42Å; G121-R146 PolarHBondContact N-O 3.37Å; G121-N148 WeakPolarHBondContact O-CB 3.43Å; G121-N148 PolarHBondContact O-ND2 3.1Å
122	N	88.5	Confident	88.7	Confident	96 Å²	96	56.6 Å²	56.6	51%	0.513	28%	0.277	S	S	.	.			trans	-95.9	131.1	175.4	-68.1	-34.9	0	0	0	109.5	Y82 N120	Y82-N122 VanDerWaalsContact CD1-O 3.25Å; Y82-N122 WeakPolarHBondContact CD1-O 3.48Å; Y82-N122 HydrophobicContact CE1-CB 4.21Å; N120-N122 PolarHBondContact O-N 2.83Å; N120-N122 PolarHBondContact OD1-N 3.03Å
123	F	91.8	Very high	88.9	Confident	38 Å²	38	49.2 Å²	49.2	17%	0.167	25%	0.249	C	C	.	.			trans	-148.8	159.1	176.7	64	-77.6	0	0	0	109.3	Y82 I118 W134 N148 L150 L151 K154	Y82-F123 VanDerWaalsContact CE1-CA 3.44Å; I118-F123 HydrophobicContact CD1-CB 3.73Å; I118-F123 HydrophobicContact CG1-CB 4.41Å; I118-F123 HydrophobicContact CG2-CB 4.1Å; F123-W134 HydrophobicContact CB-CZ3 4.48Å; F123-W134 AromaticContact CD2-CH2 3.87Å; F123-W134 HydrophobicContact CD2-CH2 3.87Å; F123-W134 AromaticContact CD2-CZ3 3.61Å; F123-W134 HydrophobicContact CD2-CZ3 3.61Å; F123-W134 HydrophobicContact CE2-CZ3 4.35Å; F123-W134 HydrophobicContact CG-CZ3 4.46Å; F123-N148 HydrophobicContact CD1-CB 3.59Å; F123-N148 HydrophobicContact CE1-CB 3.37Å; F123-N148 WeakPolarHBondContact CE1-ND2 3.26Å; F123-N148 HydrophobicContact CZ-CB 4.44Å; F123-L150 HydrophobicContact CE1-CB 4.42Å; F123-L150 HydrophobicContact CZ-CB 3.91Å; F123-L151 HydrophobicContact CB-CD2 4.14Å; F123-L151 HydrophobicContact CD1-CD2 4.14Å; F123-L151 HydrophobicContact CD2-CD2 3.76Å; F123-L151 HydrophobicContact CE2-CD2 4.2Å; F123-L151 HydrophobicContact CG-CD2 3.73Å; F123-K154 HydrophobicContact CE2-CD 4.32Å
124	P	90.8	Very high	89	Confident	9 Å²	9	49.2 Å²	49.2	6%	0.058	25%	0.249	C	C	.	.			trans	-57.7	147.5	174.3	-19.4	30.2	0	0	0	111.4	Y82 V116 V126 W134	Y82-P124 HydrophobicContact CD2-CG 3.76Å; Y82-P124 HydrophobicContact CE2-CB 4.45Å; Y82-P124 HydrophobicContact CE2-CG 3.59Å; Y82-P124 HydrophobicContact CG-CG 4.35Å; V116-P124 HydrophobicContact CG1-CG 4.2Å; P124-V126 VanDerWaalsContact C-N 3.33Å; P124-V126 PolarHBondContact O-N 2.76Å; P124-W134 HydrophobicContact CB-CH2 4.22Å; P124-W134 HydrophobicContact CB-CZ2 3.92Å; P124-W134 HydrophobicContact CG-CH2 4.44Å; P124-W134 HydrophobicContact CG-CZ2 4.02Å; P124-W134 VanDerWaalsContact O-CH2 3.23Å; P124-W134 WeakPolarHBondContact O-CH2 3.36Å
125	K	85.4	Confident	89.1	Confident	196 Å²	196	48.1 Å²	48.1	85%	0.852	24%	0.244	S	C	*	.	S	Bend	trans	-68.9	-32.1	180	-68.7	-173.8	178.8	-178.6	0	113.1
126	V	81.9	Confident	89.1	Confident	90 Å²	90	48.1 Å²	48.1	55%	0.545	25%	0.245	S	C	.	.	S	Bend	trans	-135.2	151.7	-176.4	-63.9	0	0	0	0	110.3	P124	P124-V126 VanDerWaalsContact C-N 3.33Å; P124-V126 PolarHBondContact O-N 2.76Å
127	K	81.4	Confident	89.1	Confident	71 Å²	71	48.3 Å²	48.3	31%	0.309	25%	0.245	S	C	.	.			trans	-75.7	128	162.1	-71.2	-168.8	173.4	-174.6	0	108	W134 K154 N156	K127-W134 HydrophobicContact CG-CD2 4.26Å; K127-W134 HydrophobicContact CG-CH2 4.44Å; K127-W134 HydrophobicContact CG-CZ2 3.73Å; K127-K154 WeakPolarHBondContact CE-O 3.47Å; K127-K154 PolarHBondContact NZ-O 3.29Å; K127-N156 PolarHBondContact NZ-OD1 2.91Å
128	N	78.5	Confident	88.9	Confident	51 Å²	51	48.6 Å²	48.6	27%	0.273	25%	0.247	S	C	.	.	S	Bend	trans	-82.2	-18.8	-170.1	-62.9	-58.1	0	0	0	113.6	S110 Y111	S110-N128 PolarHBondContact O-ND2 3.24Å; Y111-N128 WeakPolarHBondContact CA-ND2 3.39Å; Y111-N128 HydrophobicContact CD1-CB 4.28Å; Y111-N128 VanDerWaalsContact CD1-CG 3.4Å; Y111-N128 WeakPolarHBondContact CD1-OD1 3.36Å; Y111-N128 VanDerWaalsContact CE1-OD1 3.3Å; Y111-N128 WeakPolarHBondContact CE1-OD1 3.48Å
129	H	80.1	Confident	88.9	Confident	66 Å²	66	48.8 Å²	48.8	31%	0.306	25%	0.247	S	C	.	.	S	Bend	trans	-153.6	156.8	172.8	53.2	89.6	0	0	0	111	A113 N131 Q132	A113-H129 PolarHBondContact O-NE2 2.94Å; A113-H129 VanDerWaalsContact O-NE2 3.16Å; H129-N131 PolarHBondContact O-N 2.71Å; H129-Q132 VanDerWaalsContact CE1-CB 3.41Å; H129-Q132 WeakPolarHBondContact CE1-CB 3.15Å; H129-Q132 PolarHBondContact CE1-N 3.03Å; H129-Q132 PolarHBondContact ND1-N 3.2Å; H129-Q132 VanDerWaalsContact ND1-N 3.14Å; H129-Q132 WeakPolarHBondContact O-CB 3.45Å; H129-Q132 PolarHBondContact O-N 3.11Å; H129-Q132 VanDerWaalsContact O-N 3.1Å
130	Q	78.2	Confident	89	Confident	198 Å²	198	50.8 Å²	50.8	93%	0.925	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-31.4	-175.6	-70.4	-178.8	-16.7	0	0	113.2	Q132	Q130-Q132 VanDerWaalsContact C-N 3.31Å; Q130-Q132 PolarHBondContact O-N 3.49Å
131	N	85.8	Confident	89.6	Confident	135 Å²	135	49.7 Å²	49.7	72%	0.722	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	3.8	-179	-60.9	-20.4	0	0	0	113.9	H129 A133	H129-N131 PolarHBondContact O-N 2.71Å; N131-A133 PolarHBondContact O-N 3.07Å
132	Q	93.5	Very high	90.1	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.014	24%	0.24	C	C	.	.			trans	-79.2	120.2	179.5	-171.7	170.6	80.3	0	0	110.6	S110 A113 E114 V116 H129 Q130	S110-Q132 PolarHBondContact O-NE2 3.17Å; A113-Q132 WeakPolarHBondContact O-CG 3.02Å; A113-Q132 PolarHBondContact O-NE2 3.1Å; E114-Q132 WeakPolarHBondContact O-CA 3.34Å; V116-Q132 HydrophobicContact CG2-CG 4.11Å; H129-Q132 VanDerWaalsContact CE1-CB 3.41Å; H129-Q132 WeakPolarHBondContact CE1-CB 3.15Å; H129-Q132 PolarHBondContact CE1-N 3.03Å; H129-Q132 PolarHBondContact ND1-N 3.2Å; H129-Q132 VanDerWaalsContact ND1-N 3.14Å; H129-Q132 WeakPolarHBondContact O-CB 3.45Å; H129-Q132 PolarHBondContact O-N 3.11Å; H129-Q132 VanDerWaalsContact O-N 3.1Å; Q130-Q132 VanDerWaalsContact C-N 3.31Å; Q130-Q132 PolarHBondContact O-N 3.49Å
133	A	95.6	Very high	90.3	Very high	5 Å²	5	47.1 Å²	47.1	4%	0.041	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	138.1	174.1	0	0	0	0	0	111.4	E114 M115 V116 N131 N156 F157 L369	E114-A133 PolarHBondContact O-N 3.08Å; M115-A133 CarbonylContact C-O 3.44Å; M115-A133 VanDerWaalsContact CA-O 3.25Å; M115-A133 WeakPolarHBondContact CA-O 3.46Å; M115-A133 HydrophobicContact CG-CB 4.25Å; M115-A133 WeakPolarHBondContact CG-O 3.29Å; V116-A133 PolarHBondContact N-O 3.08Å; N131-A133 PolarHBondContact O-N 3.07Å; A133-N156 WeakPolarHBondContact CA-OD1 3.38Å; A133-N156 HydrophobicContact CB-CB 4.5Å; A133-F157 HydrophobicContact CB-CD2 4.15Å; A133-F157 HydrophobicContact CB-CE2 3.82Å; A133-L369 HydrophobicContact CB-CD1 3.83Å; A133-L369 HydrophobicContact CB-CD2 3.71Å; A133-L369 HydrophobicContact CB-CG 4.45Å
134	W	96.4	Very high	90.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.1	170.2	-73	16.7	0	0	0	110.4	V116 I118 F123 P124 K127 L151 K154 I155 N156 F157	V116-W134 HydrophobicContact CB-CG 4.37Å; V116-W134 WeakPolarHBondContact O-CA 3.32Å; I118-W134 HydrophobicContact CD1-CD2 4.49Å; I118-W134 HydrophobicContact CD1-CE3 4.3Å; I118-W134 HydrophobicContact CG1-CD2 4.5Å; I118-W134 HydrophobicContact CG1-CE3 4.15Å; F123-W134 HydrophobicContact CB-CZ3 4.48Å; F123-W134 AromaticContact CD2-CH2 3.87Å; F123-W134 HydrophobicContact CD2-CH2 3.87Å; F123-W134 AromaticContact CD2-CZ3 3.61Å; F123-W134 HydrophobicContact CD2-CZ3 3.61Å; F123-W134 HydrophobicContact CE2-CZ3 4.35Å; F123-W134 HydrophobicContact CG-CZ3 4.46Å; P124-W134 HydrophobicContact CB-CH2 4.22Å; P124-W134 HydrophobicContact CB-CZ2 3.92Å; P124-W134 HydrophobicContact CG-CH2 4.44Å; P124-W134 HydrophobicContact CG-CZ2 4.02Å; P124-W134 VanDerWaalsContact O-CH2 3.23Å; P124-W134 WeakPolarHBondContact O-CH2 3.36Å; K127-W134 HydrophobicContact CG-CD2 4.26Å; K127-W134 HydrophobicContact CG-CH2 4.44Å; K127-W134 HydrophobicContact CG-CZ2 3.73Å; W134-L151 HydrophobicContact CE3-CD2 4.22Å; W134-L151 HydrophobicContact CZ3-CD2 4.04Å; W134-K154 WeakPolarHBondContact CB-O 3.36Å; W134-K154 HydrophobicContact CE3-CB 3.73Å; W134-K154 HydrophobicContact CH2-CD 4.04Å; W134-K154 HydrophobicContact CZ3-CB 3.75Å; W134-K154 HydrophobicContact CZ3-CD 3.67Å; W134-K154 HydrophobicContact CZ3-CG 4.29Å; W134-I155 HydrophobicContact CB-CD1 3.98Å; W134-I155 HydrophobicContact CE3-CD1 4.29Å; W134-N156 PolarHBondContact N-OD1 3.11Å; W134-N156 WeakPolarHBondContact O-CB 3.22Å; W134-N156 PolarHBondContact O-N 3.02Å; W134-F157 PolarHBondContact O-N 2.77Å; W134-F157 VanDerWaalsContact O-N 3.1Å
135	L	97.2	Very high	90.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.1	180	-179.2	146.9	0	0	0	110.1	M115 V116 I117 I118 F157 A159 I167 F362 L365	M115-L135 HydrophobicContact SD-CB 4.18Å; M115-L135 HydrophobicContact SD-CD1 4.34Å; V116-L135 PolarHBondContact O-N 2.77Å; I117-L135 CarbonylContact C-O 3.02Å; I117-L135 WeakPolarHBondContact CA-O 3.43Å; I117-L135 HydrophobicContact CG1-CD2 4.42Å; I117-L135 HydrophobicContact CG2-CD2 4.03Å; I118-L135 PolarHBondContact N-O 3.46Å; L135-F157 CarbonylContact C-O 3.48Å; L135-F157 VanDerWaalsContact CA-O 3.23Å; L135-F157 WeakPolarHBondContact CA-O 3.42Å; L135-F157 HydrophobicContact CB-CB 4.26Å; L135-F157 HydrophobicContact CD1-CB 3.92Å; L135-F157 HydrophobicContact CG-CB 4.13Å; L135-A159 HydrophobicContact CD1-CB 4.34Å; L135-A159 HydrophobicContact CD2-CB 3.79Å; L135-A159 HydrophobicContact CG-CB 4.45Å; L135-I167 HydrophobicContact CD1-CD1 4.03Å; L135-F362 HydrophobicContact CD1-CD1 4.03Å; L135-F362 HydrophobicContact CD1-CE1 3.96Å; L135-F362 HydrophobicContact CD2-CD1 4.5Å; L135-F362 HydrophobicContact CD2-CE1 3.86Å; L135-F362 HydrophobicContact CD2-CZ 4.27Å; L135-L365 HydrophobicContact CD1-CD2 3.68Å
136	A	96.5	Very high	90.1	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.008	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	123	172	0	0	0	0	0	110.5	L147 I155 F157 T158 A159 V380	A136-L147 HydrophobicContact CB-CD1 4.44Å; A136-L147 HydrophobicContact CB-CD2 4.06Å; A136-I155 HydrophobicContact CB-CD1 4.27Å; A136-I155 HydrophobicContact CB-CG1 4.34Å; A136-I155 HydrophobicContact CB-CG2 4.01Å; A136-F157 PolarHBondContact N-O 3.49Å; A136-T158 HydrophobicContact CB-CG2 4.38Å; A136-T158 CarbonylContact O-C 3.41Å; A136-T158 WeakPolarHBondContact O-CA 3.11Å; A136-A159 PolarHBondContact O-N 2.85Å; A136-V380 HydrophobicContact CB-CG2 4.22Å
137	Y	96.3	Very high	90.4	Very high	3 Å²	3	45.1 Å²	45.1	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	110.9	-177.5	173.6	-96.5	0	0	0	112	T85 V87 I89 I117 I118 T119 Y139 A159 L169 P358 F362	T85-Y137 HydrophobicContact CG2-CD1 3.87Å; T85-Y137 HydrophobicContact CG2-CE1 3.78Å; V87-Y137 PolarHBondContact O-OH 3.19Å; I89-Y137 HydrophobicContact CD1-CD1 4.03Å; I89-Y137 HydrophobicContact CD1-CD2 4.42Å; I89-Y137 HydrophobicContact CD1-CE1 3.98Å; I89-Y137 HydrophobicContact CD1-CE2 4.32Å; I89-Y137 HydrophobicContact CD1-CG 4.24Å; I89-Y137 HydrophobicContact CG1-CD1 4.49Å; I89-Y137 HydrophobicContact CG1-CE1 3.94Å; I89-Y137 HydrophobicContact CG1-CE2 4.16Å; I117-Y137 HydrophobicContact CG2-CG 4.26Å; I118-Y137 PolarHBondContact O-N 2.97Å; T119-Y137 HydrophobicContact CG2-CD1 4.23Å; Y137-Y139 HydrophobicContact CE1-CD2 4.46Å; Y137-Y139 HydrophobicContact CE2-CD2 4.36Å; Y137-Y139 HydrophobicContact CE2-CE2 4.02Å; Y137-Y139 AromaticContact CZ-CD2 3.95Å; Y137-Y139 AromaticContact CZ-CE2 3.81Å; Y137-Y139 WeakPolarHBondContact OH-CE2 3.44Å; Y137-A159 WeakPolarHBondContact CA-O 3.49Å; Y137-A159 HydrophobicContact CD2-CB 4.08Å; Y137-L169 HydrophobicContact CD2-CD1 3.82Å; Y137-L169 HydrophobicContact CE2-CD1 3.42Å; Y137-L169 VanDerWaalsContact CE2-CD1 3.42Å; Y137-P358 HydrophobicContact CE2-CB 4.26Å; Y137-F362 HydrophobicContact CD2-CE2 4.33Å; Y137-F362 AromaticContact CD2-CZ 3.62Å; Y137-F362 HydrophobicContact CD2-CZ 3.62Å; Y137-F362 HydrophobicContact CE2-CE2 4.45Å; Y137-F362 AromaticContact CE2-CZ 3.96Å; Y137-F362 HydrophobicContact CE2-CZ 3.96Å
138	H	94.2	Very high	90.8	Very high	7 Å²	7	43.9 Å²	43.9	3%	0.032	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	130.5	-175.2	-75.4	-82.6	0	0	0	113.7	T119 L147 A159 T160 F384	T119-H138 VanDerWaalsContact C-CE1 3.4Å; T119-H138 PolarHBondContact O-CE1 2.9Å; T119-H138 PolarHBondContact O-NE2 3.43Å; H138-L147 VanDerWaalsContact CD2-CD2 3.43Å; H138-L147 WeakPolarHBondContact CD2-CD2 3.28Å; H138-L147 VanDerWaalsContact CD2-CG 3.48Å; H138-L147 WeakPolarHBondContact CD2-CG 3.4Å; H138-L147 WeakPolarHBondContact NE2-CD2 3.36Å; H138-L147 WeakPolarHBondContact NE2-CG 3.39Å; H138-A159 PolarHBondContact N-O 2.98Å; H138-T160 HydrophobicContact CB-CG2 4.34Å; H138-T160 WeakPolarHBondContact O-CA 3.42Å; H138-T160 VanDerWaalsContact O-CB 3.27Å; H138-T160 WeakPolarHBondContact O-CB 3.43Å; H138-F384 HydrophobicContact CB-CE1 4.42Å; H138-F384 HydrophobicContact CB-CZ 4.49Å
139	Y	94.4	Very high	91.3	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.016	24%	0.237	C	C	.	.			trans	-99.9	-19.2	172.9	-93.6	-93.4	0	0	0	113.6	V87 Y137 Y161 L169 Y171 F354	V87-Y139 HydrophobicContact CB-CD2 3.74Å; V87-Y139 HydrophobicContact CB-CE2 3.89Å; V87-Y139 HydrophobicContact CB-CG 4.27Å; V87-Y139 HydrophobicContact CG1-CD2 4.46Å; V87-Y139 HydrophobicContact CG1-CE2 4.11Å; V87-Y139 HydrophobicContact CG2-CD1 4.03Å; V87-Y139 HydrophobicContact CG2-CD2 3.62Å; V87-Y139 HydrophobicContact CG2-CE1 4.41Å; V87-Y139 HydrophobicContact CG2-CE2 4.02Å; V87-Y139 HydrophobicContact CG2-CG 3.6Å; Y137-Y139 HydrophobicContact CE1-CD2 4.46Å; Y137-Y139 HydrophobicContact CE2-CD2 4.36Å; Y137-Y139 HydrophobicContact CE2-CE2 4.02Å; Y137-Y139 AromaticContact CZ-CD2 3.95Å; Y137-Y139 AromaticContact CZ-CE2 3.81Å; Y137-Y139 WeakPolarHBondContact OH-CE2 3.44Å; Y139-Y161 WeakPolarHBondContact O-CD1 3.43Å; Y139-L169 HydrophobicContact CE1-CB 4.27Å; Y139-L169 WeakPolarHBondContact CE1-O 3.42Å; Y139-L169 HydrophobicContact CE2-CB 4.06Å; Y139-L169 HydrophobicContact CE2-CD1 3.93Å; Y139-Y171 HydrophobicContact CD1-CD1 4.44Å; Y139-Y171 HydrophobicContact CD1-CD2 4.01Å; Y139-Y171 HydrophobicContact CD1-CE1 4.18Å; Y139-Y171 AromaticContact CD1-CE2 3.72Å; Y139-Y171 HydrophobicContact CD1-CE2 3.72Å; Y139-Y171 HydrophobicContact CD1-CG 4.36Å; Y139-Y171 AromaticContact CD1-CZ 3.81Å; Y139-Y171 VanDerWaalsContact O-CE2 3.24Å; Y139-Y171 WeakPolarHBondContact O-CE2 3.45Å; Y139-Y171 PolarHBondContact O-OH 2.94Å; Y139-F354 HydrophobicContact CD1-CE1 4.21Å; Y139-F354 AromaticContact CE1-CD1 3.81Å; Y139-F354 HydrophobicContact CE1-CD1 3.81Å; Y139-F354 AromaticContact CE1-CE1 3.89Å; Y139-F354 HydrophobicContact CE1-CE1 3.89Å
140	E	95.2	Very high	91.7	Very high	46 Å²	46	52.4 Å²	52.4	22%	0.215	25%	0.253	C	S	.	.	S	Bend	trans	-87.7	150.5	-178.7	-74.3	-66.5	178	0	0	112	T86 H144 Y278 F384	T86-E140 HydrophobicContact CG2-CG 4.17Å; E140-H144 HydrophobicContact CB-CB 4.12Å; E140-Y278 PolarHBondContact OE2-OH 3.11Å; E140-F384 VanDerWaalsContact O-CZ 3.26Å; E140-F384 WeakPolarHBondContact O-CZ 3.23Å
141	A	95.8	Very high	92.3	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.209	C	C	.	.			trans	-60.5	155.3	175.6	0	0	0	0	0	111.9	P143 H144 S145 Y278	A141-P143 VanDerWaalsContact C-CD 3.46Å; A141-H144 CarbonylContact O-C 3.55Å; A141-H144 WeakPolarHBondContact O-CA 3.44Å; A141-H144 PolarHBondContact O-N 3.21Å; A141-S145 PolarHBondContact O-N 3.05Å; A141-Y278 HydrophobicContact CB-CD1 4.01Å; A141-Y278 HydrophobicContact CB-CD2 3.96Å; A141-Y278 HydrophobicContact CB-CE1 3.93Å; A141-Y278 HydrophobicContact CB-CE2 3.87Å; A141-Y278 HydrophobicContact CB-CG 4.02Å
142	P	94.5	Very high	92.3	Very high	6 Å²	6	37.7 Å²	37.7	4%	0.039	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-49.5	-43.9	-174.7	-23.3	24.6	0	0	0	116.1	H144 S145 Y161 F384 D385 S387 C388	P142-H144 PolarHBondContact O-N 3.18Å; P142-H144 VanDerWaalsContact O-N 3.1Å; P142-S145 VanDerWaalsContact O-CB 3.29Å; P142-S145 WeakPolarHBondContact O-CB 3.18Å; P142-S145 PolarHBondContact O-N 3.32Å; P142-S145 PolarHBondContact O-OG 3.37Å; P142-Y161 VanDerWaalsContact CD-OH 3.3Å; P142-Y161 WeakPolarHBondContact CD-OH 3.26Å; P142-F384 HydrophobicContact CB-CD1 3.98Å; P142-F384 HydrophobicContact CB-CE1 4.29Å; P142-F384 HydrophobicContact CB-CG 4.32Å; P142-F384 HydrophobicContact CG-CD1 3.87Å; P142-F384 HydrophobicContact CG-CD2 3.99Å; P142-F384 HydrophobicContact CG-CE1 4.05Å; P142-F384 HydrophobicContact CG-CE2 4.14Å; P142-F384 HydrophobicContact CG-CG 3.84Å; P142-F384 HydrophobicContact CG-CZ 4.18Å; P142-F384 WeakPolarHBondContact CG-O 3.5Å; P142-D385 WeakPolarHBondContact CB-OD1 3.46Å; P142-S387 VanDerWaalsContact CG-OG 3.26Å; P142-S387 WeakPolarHBondContact CG-OG 3.48Å; P142-C388 VanDerWaalsContact CD-SG 3.56Å; P142-C388 VanDerWaalsContact CG-SG 3.54Å
143	P	92.7	Very high	92.2	Very high	60 Å²	60	43.2 Å²	43.2	39%	0.39	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-61.8	-21.4	177.8	-24.7	36.4	0	0	0	114.4	A141 D224	A141-P143 VanDerWaalsContact C-CD 3.46Å; P143-D224 HydrophobicContact CB-CB 4.26Å; P143-D224 VanDerWaalsContact CB-CG 3.42Å; P143-D224 WeakPolarHBondContact CB-OD2 3.31Å; P143-D224 HydrophobicContact CG-CB 4.32Å
144	H	91.3	Very high	92.1	Very high	55 Å²	55	46.4 Å²	46.4	26%	0.255	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-108.3	-1.4	177.3	-58.8	-34.5	0	0	0	112.5	E140 A141 P142 D224 N272	E140-H144 HydrophobicContact CB-CB 4.12Å; A141-H144 CarbonylContact O-C 3.55Å; A141-H144 WeakPolarHBondContact O-CA 3.44Å; A141-H144 PolarHBondContact O-N 3.21Å; P142-H144 PolarHBondContact O-N 3.18Å; P142-H144 VanDerWaalsContact O-N 3.1Å; H144-D224 IonicContact CE1-OD2 3.73Å; H144-D224 PolarHBondContact CE1-OD2 3.21Å; H144-D224 IonicContact ND1-OD2 3.65Å; H144-D224 IonicContact NE2-OD2 3.67Å; H144-D224 PolarHBondContact NE2-OD2 2.6Å; H144-N272 WeakPolarHBondContact NE2-CB 3.43Å
145	S	87.9	Confident	92	Very high	25 Å²	25	46.4 Å²	46.4	18%	0.175	22%	0.224	C	C	.	.			trans	-71.9	147.8	172.6	86.8	0	0	0	0	109.6	A141 P142	A141-S145 PolarHBondContact O-N 3.05Å; P142-S145 VanDerWaalsContact O-CB 3.29Å; P142-S145 WeakPolarHBondContact O-CB 3.18Å; P142-S145 PolarHBondContact O-N 3.32Å; P142-S145 PolarHBondContact O-OG 3.37Å
146	R	85.9	Confident	91.9	Very high	194 Å²	194	47.7 Å²	47.7	73%	0.732	23%	0.231	S	C	*	.			trans	-112	22.4	177.1	-63.3	-175.2	-179	179.5	0.1	111.3	N120 G121 N148	N120-R146 CarbonylContact C-O 3.58Å; N120-R146 HydrophobicContact CB-CB 4.19Å; G121-R146 WeakPolarHBondContact CA-O 3.42Å; G121-R146 PolarHBondContact N-O 3.37Å; R146-N148 PolarHBondContact O-N 2.83Å
147	L	87.9	Confident	92	Very high	18 Å²	18	48.2 Å²	48.2	9%	0.094	23%	0.233	C	C	.	.			trans	-58.6	138.7	177	-77.9	173.6	0	0	0	109.9	I118 A136 H138 K149 L151 N381 F384	I118-L147 HydrophobicContact CG2-CD2 4.4Å; A136-L147 HydrophobicContact CB-CD1 4.44Å; A136-L147 HydrophobicContact CB-CD2 4.06Å; H138-L147 VanDerWaalsContact CD2-CD2 3.43Å; H138-L147 WeakPolarHBondContact CD2-CD2 3.28Å; H138-L147 VanDerWaalsContact CD2-CG 3.48Å; H138-L147 WeakPolarHBondContact CD2-CG 3.4Å; H138-L147 WeakPolarHBondContact NE2-CD2 3.36Å; H138-L147 WeakPolarHBondContact NE2-CG 3.39Å; L147-K149 PolarHBondContact O-N 3.31Å; L147-L151 HydrophobicContact CB-CD1 4.28Å; L147-L151 HydrophobicContact CD2-CD1 3.65Å; L147-N381 WeakPolarHBondContact CB-OD1 3.42Å; L147-F384 HydrophobicContact CD1-CD1 4.2Å
148	N	88.6	Confident	92	Very high	45 Å²	45	48 Å²	48	24%	0.241	23%	0.233	C	C	.	.			trans	-76.9	128.9	178	-161.1	-57.1	0	0	0	109.9	G121 F123 R146 L150 L151 N381	G121-N148 WeakPolarHBondContact O-CB 3.43Å; G121-N148 PolarHBondContact O-ND2 3.1Å; F123-N148 HydrophobicContact CD1-CB 3.59Å; F123-N148 HydrophobicContact CE1-CB 3.37Å; F123-N148 WeakPolarHBondContact CE1-ND2 3.26Å; F123-N148 HydrophobicContact CZ-CB 4.44Å; R146-N148 PolarHBondContact O-N 2.83Å; N148-L150 PolarHBondContact O-N 2.7Å; N148-L150 VanDerWaalsContact O-N 3.1Å; N148-L150 VanDerWaalsContact OD1-CB 3.3Å; N148-L150 WeakPolarHBondContact OD1-CB 3.49Å; N148-L150 WeakPolarHBondContact OD1-CG 3.45Å; N148-L150 PolarHBondContact OD1-N 2.99Å; N148-L151 HydrophobicContact CB-CG 4.32Å; N148-L151 WeakPolarHBondContact O-CB 3.2Å; N148-L151 WeakPolarHBondContact O-CD1 3.43Å; N148-L151 VanDerWaalsContact O-CG 3.25Å; N148-L151 WeakPolarHBondContact O-CG 3.24Å; N148-L151 PolarHBondContact O-N 2.66Å; N148-N381 PolarHBondContact O-ND2 2.89Å; N148-N381 VanDerWaalsContact O-ND2 3.15Å
149	K	88.9	Confident	92.2	Very high	173 Å²	173	47.7 Å²	47.7	75%	0.752	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-58.6	-23.8	176.8	-64.7	-173.2	176.3	-174.1	0	113.1	L147 L151 N381	L147-K149 PolarHBondContact O-N 3.31Å; K149-L151 PolarHBondContact O-N 2.81Å; K149-N381 WeakPolarHBondContact CA-ND2 3.18Å
150	L	90	Very high	92.3	Very high	123 Å²	123	47.7 Å²	47.7	64%	0.644	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-79.1	1.1	177.3	-59.4	177.9	0	0	0	114.3	F123 N148 G152 K154	F123-L150 HydrophobicContact CE1-CB 4.42Å; F123-L150 HydrophobicContact CZ-CB 3.91Å; N148-L150 PolarHBondContact O-N 2.7Å; N148-L150 VanDerWaalsContact O-N 3.1Å; N148-L150 VanDerWaalsContact OD1-CB 3.3Å; N148-L150 WeakPolarHBondContact OD1-CB 3.49Å; N148-L150 WeakPolarHBondContact OD1-CG 3.45Å; N148-L150 PolarHBondContact OD1-N 2.99Å; L150-G152 VanDerWaalsContact C-N 3.35Å; L150-K154 PolarHBondContact O-NZ 2.92Å
151	L	90.9	Very high	92.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-61.6	-43.8	174.6	-74.9	169	0	0	0	111	I118 F123 W134 L147 N148 K149 E153 K154 I155 V380	I118-L151 HydrophobicContact CG2-CD1 4.2Å; I118-L151 HydrophobicContact CG2-CD2 4.31Å; F123-L151 HydrophobicContact CB-CD2 4.14Å; F123-L151 HydrophobicContact CD1-CD2 4.14Å; F123-L151 HydrophobicContact CD2-CD2 3.76Å; F123-L151 HydrophobicContact CE2-CD2 4.2Å; F123-L151 HydrophobicContact CG-CD2 3.73Å; W134-L151 HydrophobicContact CE3-CD2 4.22Å; W134-L151 HydrophobicContact CZ3-CD2 4.04Å; L147-L151 HydrophobicContact CB-CD1 4.28Å; L147-L151 HydrophobicContact CD2-CD1 3.65Å; N148-L151 HydrophobicContact CB-CG 4.32Å; N148-L151 WeakPolarHBondContact O-CB 3.2Å; N148-L151 WeakPolarHBondContact O-CD1 3.43Å; N148-L151 VanDerWaalsContact O-CG 3.25Å; N148-L151 WeakPolarHBondContact O-CG 3.24Å; N148-L151 PolarHBondContact O-N 2.66Å; K149-L151 PolarHBondContact O-N 2.81Å; L151-E153 PolarHBondContact O-N 3.27Å; L151-K154 WeakPolarHBondContact O-CB 3.45Å; L151-K154 WeakPolarHBondContact O-CG 3.16Å; L151-K154 PolarHBondContact O-N 2.74Å; L151-K154 PolarHBondContact O-NZ 3.38Å; L151-I155 HydrophobicContact CB-CG1 4.31Å; L151-I155 HydrophobicContact CD1-CD1 4.33Å; L151-I155 HydrophobicContact CD1-CG1 4.27Å; L151-I155 HydrophobicContact CD2-CD1 4.03Å; L151-I155 HydrophobicContact CD2-CG1 4.41Å; L151-V380 HydrophobicContact CB-CG1 4.01Å; L151-V380 HydrophobicContact CD1-CG1 4.26Å
152	G	85.8	Confident	92.4	Very high	23 Å²	23	46.2 Å²	46.2	24%	0.237	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	46.8	-127.9	-179.3	0	0	0	0	0	111.8	L150 K154	L150-G152 VanDerWaalsContact C-N 3.35Å; G152-K154 PolarHBondContact O-N 2.72Å
153	E	90.5	Very high	92.5	Very high	120 Å²	120	50.1 Å²	50.1	56%	0.561	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-75.2	3.8	-179.4	-61.8	-176.7	-171	0	0	115.4	L151 I155 Y377 I378	L151-E153 PolarHBondContact O-N 3.27Å; E153-I155 VanDerWaalsContact C-N 3.31Å; E153-I155 PolarHBondContact O-N 2.75Å; E153-Y377 WeakPolarHBondContact CA-O 2.95Å; E153-I378 WeakPolarHBondContact CG-O 3.36Å
154	K	92.3	Very high	92.6	Very high	71 Å²	71	51 Å²	51	31%	0.309	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-75	-18.6	-173.5	-62.8	176	-167.7	74.5	0	113.4	F123 K127 W134 L150 L151 G152	F123-K154 HydrophobicContact CE2-CD 4.32Å; K127-K154 WeakPolarHBondContact CE-O 3.47Å; K127-K154 PolarHBondContact NZ-O 3.29Å; W134-K154 WeakPolarHBondContact CB-O 3.36Å; W134-K154 HydrophobicContact CE3-CB 3.73Å; W134-K154 HydrophobicContact CH2-CD 4.04Å; W134-K154 HydrophobicContact CZ3-CB 3.75Å; W134-K154 HydrophobicContact CZ3-CD 3.67Å; W134-K154 HydrophobicContact CZ3-CG 4.29Å; L150-K154 PolarHBondContact O-NZ 2.92Å; L151-K154 WeakPolarHBondContact O-CB 3.45Å; L151-K154 WeakPolarHBondContact O-CG 3.16Å; L151-K154 PolarHBondContact O-N 2.74Å; L151-K154 PolarHBondContact O-NZ 3.38Å; G152-K154 PolarHBondContact O-N 2.72Å
155	I	94.9	Very high	92.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.236	C	C	.	.			trans	-87.8	124.1	-176.8	-63.4	-55.6	0	0	0	110.9	I118 W134 A136 L151 E153 F157 T158 W376 Y377 V380	I118-I155 HydrophobicContact CB-CD1 4.42Å; I118-I155 HydrophobicContact CG1-CD1 4.05Å; W134-I155 HydrophobicContact CB-CD1 3.98Å; W134-I155 HydrophobicContact CE3-CD1 4.29Å; A136-I155 HydrophobicContact CB-CD1 4.27Å; A136-I155 HydrophobicContact CB-CG1 4.34Å; A136-I155 HydrophobicContact CB-CG2 4.01Å; L151-I155 HydrophobicContact CB-CG1 4.31Å; L151-I155 HydrophobicContact CD1-CD1 4.33Å; L151-I155 HydrophobicContact CD1-CG1 4.27Å; L151-I155 HydrophobicContact CD2-CD1 4.03Å; L151-I155 HydrophobicContact CD2-CG1 4.41Å; E153-I155 VanDerWaalsContact C-N 3.31Å; E153-I155 PolarHBondContact O-N 2.75Å; I155-F157 WeakPolarHBondContact CG2-O 3.41Å; I155-T158 HydrophobicContact CG2-CG2 4.38Å; I155-W376 WeakPolarHBondContact O-CA 3.12Å; I155-W376 WeakPolarHBondContact O-CB 3.13Å; I155-Y377 HydrophobicContact CG2-CD2 4.16Å; I155-Y377 PolarHBondContact O-N 3.33Å; I155-V380 HydrophobicContact CB-CB 4.04Å; I155-V380 HydrophobicContact CB-CG1 4.28Å; I155-V380 HydrophobicContact CB-CG2 4.21Å; I155-V380 HydrophobicContact CG1-CB 4.08Å; I155-V380 HydrophobicContact CG1-CG1 3.78Å; I155-V380 HydrophobicContact CG1-CG2 4.25Å; I155-V380 HydrophobicContact CG2-CB 4.38Å; I155-V380 HydrophobicContact CG2-CG2 4.02Å
156	N	96.2	Very high	93.3	Very high	27 Å²	27	49.1 Å²	49.1	14%	0.144	24%	0.237	C	C	.	.			trans	-85.3	-45.5	174.7	-62.3	97.4	0	0	0	111.4	K127 A133 W134 S375	K127-N156 PolarHBondContact NZ-OD1 2.91Å; A133-N156 WeakPolarHBondContact CA-OD1 3.38Å; A133-N156 HydrophobicContact CB-CB 4.5Å; W134-N156 PolarHBondContact N-OD1 3.11Å; W134-N156 WeakPolarHBondContact O-CB 3.22Å; W134-N156 PolarHBondContact O-N 3.02Å; N156-S375 WeakPolarHBondContact CA-O 3.27Å; N156-S375 PolarHBondContact ND2-O 3.43Å
157	F	97.5	Very high	93.9	Very high	12 Å²	12	40.1 Å²	40.1	5%	0.053	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	159.8	-169.7	-54.9	-63.2	0	0	0	111.7	A133 W134 L135 A136 I155 T166 L365 L369 L372	A133-F157 HydrophobicContact CB-CD2 4.15Å; A133-F157 HydrophobicContact CB-CE2 3.82Å; W134-F157 PolarHBondContact O-N 2.77Å; W134-F157 VanDerWaalsContact O-N 3.1Å; L135-F157 CarbonylContact C-O 3.48Å; L135-F157 VanDerWaalsContact CA-O 3.23Å; L135-F157 WeakPolarHBondContact CA-O 3.42Å; L135-F157 HydrophobicContact CB-CB 4.26Å; L135-F157 HydrophobicContact CD1-CB 3.92Å; L135-F157 HydrophobicContact CG-CB 4.13Å; A136-F157 PolarHBondContact N-O 3.49Å; I155-F157 WeakPolarHBondContact CG2-O 3.41Å; F157-T166 WeakPolarHBondContact CA-OG1 3.37Å; F157-T166 HydrophobicContact CB-CG2 4.04Å; F157-T166 HydrophobicContact CD1-CG2 3.59Å; F157-T166 HydrophobicContact CE1-CG2 4.44Å; F157-T166 HydrophobicContact CG-CG2 4.12Å; F157-L365 HydrophobicContact CB-CD2 4.19Å; F157-L365 HydrophobicContact CD2-CD1 4.35Å; F157-L365 HydrophobicContact CD2-CD2 3.83Å; F157-L365 HydrophobicContact CD2-CG 4.37Å; F157-L365 HydrophobicContact CE1-CD1 4.4Å; F157-L365 HydrophobicContact CE2-CD1 4.16Å; F157-L365 HydrophobicContact CE2-CD2 4.4Å; F157-L365 HydrophobicContact CE2-CG 4.46Å; F157-L365 HydrophobicContact CG-CD2 3.98Å; F157-L365 HydrophobicContact CZ-CD1 4.18Å; F157-L369 HydrophobicContact CE2-CD2 3.51Å; F157-L369 HydrophobicContact CZ-CD2 4Å; F157-L372 HydrophobicContact CE1-CD1 4.26Å; F157-L372 HydrophobicContact CZ-CD1 4.04Å
158	T	97.3	Very high	94.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.7	176.5	58	0	0	0	0	110.3	A136 I155 S165 T166 I167 Y377 V380 W383	A136-T158 HydrophobicContact CB-CG2 4.38Å; A136-T158 CarbonylContact O-C 3.41Å; A136-T158 WeakPolarHBondContact O-CA 3.11Å; I155-T158 HydrophobicContact CG2-CG2 4.38Å; T158-S165 WeakPolarHBondContact OG1-CA 3.29Å; T158-S165 VanDerWaalsContact OG1-CB 3.28Å; T158-S165 WeakPolarHBondContact OG1-CB 3.3Å; T158-T166 PolarHBondContact N-OG1 3.09Å; T158-T166 WeakPolarHBondContact O-CA 3.48Å; T158-T166 VanDerWaalsContact O-CB 3.26Å; T158-T166 WeakPolarHBondContact O-CB 3.39Å; T158-T166 PolarHBondContact O-N 3.47Å; T158-T166 PolarHBondContact OG1-N 2.84Å; T158-I167 PolarHBondContact O-N 2.88Å; T158-Y377 HydrophobicContact CG2-CD2 4.14Å; T158-Y377 HydrophobicContact CG2-CE1 4.07Å; T158-Y377 HydrophobicContact CG2-CE2 3.54Å; T158-Y377 PolarHBondContact OG1-OH 3.41Å; T158-V380 HydrophobicContact CG2-CG2 4.02Å; T158-W383 HydrophobicContact CG2-CE3 4.15Å; T158-W383 HydrophobicContact CG2-CH2 4Å; T158-W383 HydrophobicContact CG2-CZ3 3.65Å
159	A	97.7	Very high	94.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	103.5	168.6	0	0	0	0	0	109.8	L135 A136 Y137 H138 I167 L169 F362	L135-A159 HydrophobicContact CD1-CB 4.34Å; L135-A159 HydrophobicContact CD2-CB 3.79Å; L135-A159 HydrophobicContact CG-CB 4.45Å; A136-A159 PolarHBondContact O-N 2.85Å; Y137-A159 WeakPolarHBondContact CA-O 3.49Å; Y137-A159 HydrophobicContact CD2-CB 4.08Å; H138-A159 PolarHBondContact N-O 2.98Å; A159-I167 WeakPolarHBondContact CA-O 3.24Å; A159-I167 HydrophobicContact CB-CB 3.81Å; A159-I167 HydrophobicContact CB-CG2 4.28Å; A159-L169 HydrophobicContact CB-CD1 3.71Å; A159-L169 HydrophobicContact CB-CG 4.32Å; A159-F362 HydrophobicContact CB-CE1 3.79Å; A159-F362 HydrophobicContact CB-CZ 4.17Å
160	T	96.8	Very high	95.2	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	176.5	-172	74.7	0	0	0	0	111.8	H138 R162 S165 I167 L169 W383	H138-T160 HydrophobicContact CB-CG2 4.34Å; H138-T160 WeakPolarHBondContact O-CA 3.42Å; H138-T160 VanDerWaalsContact O-CB 3.27Å; H138-T160 WeakPolarHBondContact O-CB 3.43Å; T160-R162 PolarHBondContact O-N 3.31Å; T160-R162 PolarHBondContact OG1-N 3.23Å; T160-R162 VanDerWaalsContact OG1-N 3.14Å; T160-S165 PolarHBondContact O-OG 3.12Å; T160-S165 WeakPolarHBondContact OG1-CB 3.32Å; T160-S165 PolarHBondContact OG1-OG 3.47Å; T160-I167 PolarHBondContact N-O 3.09Å; T160-L169 PolarHBondContact O-N 2.76Å; T160-W383 HydrophobicContact CG2-CH2 4.39Å; T160-W383 HydrophobicContact CG2-CZ3 4.48Å
161	Y	96.8	Very high	95.6	Very high	3 Å²	3	27.1 Å²	27.1	1%	0.012	14%	0.141	C	C	.	.	S	Bend	trans	-66.9	-15.1	172.9	67.5	-98.3	0	0	0	114.1	Y139 P142 H168 L169 Q276 D277 Y278 F384	Y139-Y161 WeakPolarHBondContact O-CD1 3.43Å; P142-Y161 VanDerWaalsContact CD-OH 3.3Å; P142-Y161 WeakPolarHBondContact CD-OH 3.26Å; Y161-H168 PolarHBondContact O-CD2 3.45Å; Y161-H168 VanDerWaalsContact O-CD2 3.23Å; Y161-H168 PolarHBondContact O-NE2 3.25Å; Y161-H168 VanDerWaalsContact O-NE2 3.17Å; Y161-L169 WeakPolarHBondContact CA-O 3.31Å; Y161-Q276 VanDerWaalsContact CE2-O 3.28Å; Y161-Q276 WeakPolarHBondContact CE2-O 3.42Å; Y161-D277 HydrophobicContact CD2-CB 4.23Å; Y161-D277 HydrophobicContact CE2-CB 4.45Å; Y161-Y278 AromaticContact CD1-CD2 3.73Å; Y161-Y278 HydrophobicContact CD1-CD2 3.73Å; Y161-Y278 HydrophobicContact CD1-CE2 4.29Å; Y161-Y278 HydrophobicContact CD2-CD2 4.13Å; Y161-Y278 AromaticContact CE1-CD2 3.5Å; Y161-Y278 HydrophobicContact CE1-CD2 3.5Å; Y161-Y278 HydrophobicContact CE1-CE2 4.14Å; Y161-Y278 HydrophobicContact CE1-CG 4.42Å; Y161-Y278 AromaticContact CE2-CD2 3.96Å; Y161-Y278 HydrophobicContact CE2-CD2 3.96Å; Y161-Y278 HydrophobicContact CE2-CG 4.24Å; Y161-Y278 HydrophobicContact CG-CD2 4.03Å; Y161-Y278 AromaticContact CZ-CD2 3.63Å; Y161-F384 AromaticContact CE1-CE2 3.84Å; Y161-F384 HydrophobicContact CE1-CE2 3.84Å; Y161-F384 AromaticContact CE1-CZ 3.77Å; Y161-F384 HydrophobicContact CE1-CZ 3.77Å; Y161-F384 AromaticContact CZ-CE2 3.89Å
162	R	96.6	Very high	95.9	Very high	12 Å²	12	27.3 Å²	27.3	5%	0.045	14%	0.143	C	C	.	.	S	Bend	trans	-69.6	140.1	-179	-73.1	179.5	56.5	152.2	0.1	111.8	T160 D164 S165 H168 W383 F384	T160-R162 PolarHBondContact O-N 3.31Å; T160-R162 PolarHBondContact OG1-N 3.23Å; T160-R162 VanDerWaalsContact OG1-N 3.14Å; R162-D164 WeakPolarHBondContact CB-OD1 3.03Å; R162-D164 IonicContact CZ-OD1 2.78Å; R162-D164 VanDerWaalsContact CZ-OD1 3.31Å; R162-D164 IonicContact CZ-OD2 3.37Å; R162-D164 IonicContact NE-OD1 3.17Å; R162-D164 PolarHBondContact NE-OD1 2.87Å; R162-D164 IonicContact NE-OD2 3.97Å; R162-D164 VanDerWaalsContact NH2-CG 3.28Å; R162-D164 IonicContact NH2-OD1 2.84Å; R162-D164 PolarHBondContact NH2-OD1 3.12Å; R162-D164 VanDerWaalsContact NH2-OD1 3.07Å; R162-D164 IonicContact NH2-OD2 3.96Å; R162-D164 PolarHBondContact NH2-OD2 3.3Å; R162-D164 PolarHBondContact O-N 3.08Å; R162-S165 WeakPolarHBondContact O-CB 3.37Å; R162-S165 PolarHBondContact O-N 2.99Å; R162-S165 PolarHBondContact O-OG 2.82Å; R162-H168 PolarHBondContact O-CD2 3.47Å; R162-W383 HydrophobicContact CB-CH2 4.38Å; R162-W383 HydrophobicContact CB-CZ2 4.31Å; R162-W383 VanDerWaalsContact CZ-CE2 3.49Å; R162-W383 PolarHBondContact NH1-O 3.47Å; R162-W383 VanDerWaalsContact NH2-NE1 3.16Å; R162-F384 HydrophobicContact CG-CE2 4.46Å
163	L	95.7	Very high	96.5	Very high	89 Å²	89	30.8 Å²	30.8	47%	0.466	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-28.1	-179.4	-69.6	173.7	0	0	0	112.8	D277	L163-D277 WeakPolarHBondContact CD1-OD1 3.36Å; L163-D277 HydrophobicContact CG-CB 4.44Å; L163-D277 PolarHBondContact N-OD2 2.79Å; L163-D277 VanDerWaalsContact N-OD2 3.11Å
164	D	95.3	Very high	96.7	Very high	77 Å²	77	26.2 Å²	26.2	41%	0.412	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	10.6	179.1	72.7	-33.4	0	0	0	113.9	R162 W383	R162-D164 WeakPolarHBondContact CB-OD1 3.03Å; R162-D164 IonicContact CZ-OD1 2.78Å; R162-D164 VanDerWaalsContact CZ-OD1 3.31Å; R162-D164 IonicContact CZ-OD2 3.37Å; R162-D164 IonicContact NE-OD1 3.17Å; R162-D164 PolarHBondContact NE-OD1 2.87Å; R162-D164 IonicContact NE-OD2 3.97Å; R162-D164 VanDerWaalsContact NH2-CG 3.28Å; R162-D164 IonicContact NH2-OD1 2.84Å; R162-D164 PolarHBondContact NH2-OD1 3.12Å; R162-D164 VanDerWaalsContact NH2-OD1 3.07Å; R162-D164 IonicContact NH2-OD2 3.96Å; R162-D164 PolarHBondContact NH2-OD2 3.3Å; R162-D164 PolarHBondContact O-N 3.08Å; D164-W383 WeakPolarHBondContact OD1-CZ2 3.5Å; D164-W383 PolarHBondContact OD2-NE1 2.83Å
165	S	97.1	Very high	96.9	Very high	10 Å²	10	25.2 Å²	25.2	7%	0.07	13%	0.13	C	C	.	.	S	Bend	trans	-76.1	147.9	172.1	64.7	0	0	0	0	111.4	T158 T160 R162 I167	T158-S165 WeakPolarHBondContact OG1-CA 3.29Å; T158-S165 VanDerWaalsContact OG1-CB 3.28Å; T158-S165 WeakPolarHBondContact OG1-CB 3.3Å; T160-S165 PolarHBondContact O-OG 3.12Å; T160-S165 WeakPolarHBondContact OG1-CB 3.32Å; T160-S165 PolarHBondContact OG1-OG 3.47Å; R162-S165 WeakPolarHBondContact O-CB 3.37Å; R162-S165 PolarHBondContact O-N 2.99Å; R162-S165 PolarHBondContact O-OG 2.82Å; S165-I167 PolarHBondContact O-N 3.17Å; S165-I167 VanDerWaalsContact O-N 3.15Å; S165-I167 PolarHBondContact OG-O 3.09Å; S165-I167 VanDerWaalsContact OG-O 3.09Å
166	T	97.6	Very high	96.7	Very high	32 Å²	32	28.2 Å²	28.2	20%	0.196	14%	0.143	C	C	.	.	S	Bend	trans	-48.5	-42.9	177.3	-44.6	0	0	0	0	112.8	F57 F157 T158	F57-T166 HydrophobicContact CB-CG2 3.6Å; F57-T166 HydrophobicContact CD1-CG2 4.34Å; F57-T166 HydrophobicContact CG-CG2 4.26Å; F157-T166 WeakPolarHBondContact CA-OG1 3.37Å; F157-T166 HydrophobicContact CB-CG2 4.04Å; F157-T166 HydrophobicContact CD1-CG2 3.59Å; F157-T166 HydrophobicContact CE1-CG2 4.44Å; F157-T166 HydrophobicContact CG-CG2 4.12Å; T158-T166 PolarHBondContact N-OG1 3.09Å; T158-T166 WeakPolarHBondContact O-CA 3.48Å; T158-T166 VanDerWaalsContact O-CB 3.26Å; T158-T166 WeakPolarHBondContact O-CB 3.39Å; T158-T166 PolarHBondContact O-N 3.47Å; T158-T166 PolarHBondContact OG1-N 2.84Å
167	I	98	Very high	96.2	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.026	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	105.9	173	-61.1	170.6	0	0	0	107.8	F57 L135 T158 A159 T160 S165 L169 D361 F362 L365	F57-I167 HydrophobicContact CD1-CD1 4.43Å; F57-I167 HydrophobicContact CD1-CG1 3.75Å; F57-I167 HydrophobicContact CE1-CD1 4.03Å; F57-I167 HydrophobicContact CE1-CG1 3.68Å; L135-I167 HydrophobicContact CD1-CD1 4.03Å; T158-I167 PolarHBondContact O-N 2.88Å; A159-I167 WeakPolarHBondContact CA-O 3.24Å; A159-I167 HydrophobicContact CB-CB 3.81Å; A159-I167 HydrophobicContact CB-CG2 4.28Å; T160-I167 PolarHBondContact N-O 3.09Å; S165-I167 PolarHBondContact O-N 3.17Å; S165-I167 VanDerWaalsContact O-N 3.15Å; S165-I167 PolarHBondContact OG-O 3.09Å; S165-I167 VanDerWaalsContact OG-O 3.09Å; I167-L169 HydrophobicContact CG2-CD2 3.81Å; I167-L169 HydrophobicContact CG2-CG 4.05Å; I167-L169 PolarHBondContact O-N 3.43Å; I167-D361 HydrophobicContact CD1-CB 3.82Å; I167-D361 HydrophobicContact CG1-CB 4.35Å; I167-D361 HydrophobicContact CG2-CB 4.07Å; I167-F362 HydrophobicContact CD1-CD1 3.68Å; I167-F362 HydrophobicContact CD1-CE1 3.81Å; I167-L365 HydrophobicContact CD1-CD2 4.08Å
168	H	97.4	Very high	95.3	Very high	62 Å²	62	33.3 Å²	33.3	29%	0.287	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	125.1	177	175.2	-129.4	0	0	0	111.2	Y161 R162	Y161-H168 PolarHBondContact O-CD2 3.45Å; Y161-H168 VanDerWaalsContact O-CD2 3.23Å; Y161-H168 PolarHBondContact O-NE2 3.25Å; Y161-H168 VanDerWaalsContact O-NE2 3.17Å; R162-H168 PolarHBondContact O-CD2 3.47Å
169	L	97.4	Very high	94	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.195	C	C	.	.			trans	-128	78.7	-174.6	-66.5	-175.3	0	0	0	111.1	Y137 Y139 A159 T160 Y161 I167 E356 P358	Y137-L169 HydrophobicContact CD2-CD1 3.82Å; Y137-L169 HydrophobicContact CE2-CD1 3.42Å; Y137-L169 VanDerWaalsContact CE2-CD1 3.42Å; Y139-L169 HydrophobicContact CE1-CB 4.27Å; Y139-L169 WeakPolarHBondContact CE1-O 3.42Å; Y139-L169 HydrophobicContact CE2-CB 4.06Å; Y139-L169 HydrophobicContact CE2-CD1 3.93Å; A159-L169 HydrophobicContact CB-CD1 3.71Å; A159-L169 HydrophobicContact CB-CG 4.32Å; T160-L169 PolarHBondContact O-N 2.76Å; Y161-L169 WeakPolarHBondContact CA-O 3.31Å; I167-L169 HydrophobicContact CG2-CD2 3.81Å; I167-L169 HydrophobicContact CG2-CG 4.05Å; I167-L169 PolarHBondContact O-N 3.43Å; L169-E356 HydrophobicContact CD2-CB 3.79Å; L169-E356 HydrophobicContact CD2-CG 4.32Å; L169-P358 HydrophobicContact CD1-CB 4.13Å; L169-P358 HydrophobicContact CD2-CB 4.03Å
170	P	97.3	Very high	92.7	Very high	16 Å²	16	40.1 Å²	40.1	10%	0.104	20%	0.201	C	C	.	.			trans	-73.8	155.7	179.6	31.2	-34.9	0	0	0	111.9	G172 P355	P170-G172 VanDerWaalsContact C-N 3.27Å; P170-G172 PolarHBondContact O-N 3.45Å; P170-P355 HydrophobicContact CG-CG 4.24Å
171	Y	97.8	Very high	91.2	Very high	8 Å²	8	43 Å²	43	3%	0.031	22%	0.215	C	C	.	.	S	Bend	trans	-68.7	-27.9	172	-79.4	-98.9	0	0	0	112.8	Y139 Y278 T280 E281 L353 F354	Y139-Y171 HydrophobicContact CD1-CD1 4.44Å; Y139-Y171 HydrophobicContact CD1-CD2 4.01Å; Y139-Y171 HydrophobicContact CD1-CE1 4.18Å; Y139-Y171 AromaticContact CD1-CE2 3.72Å; Y139-Y171 HydrophobicContact CD1-CE2 3.72Å; Y139-Y171 HydrophobicContact CD1-CG 4.36Å; Y139-Y171 AromaticContact CD1-CZ 3.81Å; Y139-Y171 VanDerWaalsContact O-CE2 3.24Å; Y139-Y171 WeakPolarHBondContact O-CE2 3.45Å; Y139-Y171 PolarHBondContact O-OH 2.94Å; Y171-Y278 HydrophobicContact CE2-CE2 4.27Å; Y171-T280 HydrophobicContact CD2-CG2 4.13Å; Y171-T280 HydrophobicContact CE2-CG2 3.89Å; Y171-E281 HydrophobicContact CD1-CB 4.48Å; Y171-E281 WeakPolarHBondContact CE1-OE2 3.18Å; Y171-L353 WeakPolarHBondContact O-CA 3.34Å; Y171-F354 AromaticContact CD1-CE1 3.6Å; Y171-F354 HydrophobicContact CD1-CE1 3.6Å; Y171-F354 AromaticContact CD1-CZ 3.72Å; Y171-F354 HydrophobicContact CD1-CZ 3.72Å; Y171-F354 HydrophobicContact CE1-CE1 4.05Å; Y171-F354 HydrophobicContact CE1-CZ 4.19Å; Y171-F354 HydrophobicContact CG-CE1 4.27Å; Y171-F354 PolarHBondContact O-N 3.5Å
172	G	97.8	Very high	89.7	Confident	3 Å²	3	48.8 Å²	48.8	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	164.8	176.5	0	0	0	0	0	112.6	P170 F284 L352	P170-G172 VanDerWaalsContact C-N 3.27Å; P170-G172 PolarHBondContact O-N 3.45Å; G172-F284 WeakPolarHBondContact O-CZ 3.24Å; G172-L352 CarbonylContact C-O 3.58Å; G172-L352 WeakPolarHBondContact CA-O 3.09Å
173	K	97.4	Very high	88	Confident	96 Å²	96	53.1 Å²	53.1	42%	0.417	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	137.2	-179.8	-175.7	177.7	-167.9	170.8	0	110	I175 L352 P355 E356	K173-I175 HydrophobicContact CD-CG2 4.16Å; K173-I175 HydrophobicContact CG-CG2 3.97Å; K173-L352 PolarHBondContact N-O 2.91Å; K173-L352 PolarHBondContact O-N 3.05Å; K173-P355 HydrophobicContact CB-CB 4.18Å; K173-P355 HydrophobicContact CB-CG 3.66Å; K173-P355 HydrophobicContact CD-CB 4.45Å; K173-P355 HydrophobicContact CD-CG 4.26Å; K173-E356 IonicContact NZ-OE1 2.9Å
174	V	96.8	Very high	86.6	Confident	25 Å²	25	51.8 Å²	51.8	15%	0.152	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	124.9	173.3	-179.7	0	0	0	0	107.5	V307 P309 W349 K350 V351	V174-V307 VanDerWaalsContact CG2-O 3.24Å; V174-V307 WeakPolarHBondContact CG2-O 3.47Å; V174-P309 HydrophobicContact CG1-CB 4.41Å; V174-P309 HydrophobicContact CG1-CG 3.86Å; V174-P309 HydrophobicContact CG2-CG 3.87Å; V174-W349 HydrophobicContact CG1-CB 3.61Å; V174-W349 HydrophobicContact CG1-CD2 4.05Å; V174-W349 HydrophobicContact CG1-CE3 3.87Å; V174-W349 HydrophobicContact CG1-CG 3.97Å; V174-K350 WeakPolarHBondContact CA-O 3.38Å; V174-V351 HydrophobicContact CG2-CG2 4.48Å
175	I	94.8	Very high	85	Confident	50 Å²	50	53.5 Å²	53.5	26%	0.256	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	157.3	176.4	63.5	166.3	0	0	0	110	K173 W349 K350 L352	K173-I175 HydrophobicContact CD-CG2 4.16Å; K173-I175 HydrophobicContact CG-CG2 3.97Å; I175-W349 CarbonylContact O-C 3.58Å; I175-W349 WeakPolarHBondContact O-CA 3.46Å; I175-K350 HydrophobicContact CD1-CD 4.41Å; I175-K350 HydrophobicContact CD1-CG 4.26Å; I175-K350 HydrophobicContact CG1-CD 4.34Å; I175-K350 HydrophobicContact CG1-CG 3.67Å; I175-K350 PolarHBondContact N-O 2.04Å; I175-K350 PolarHBondContact O-N 3.32Å; I175-L352 HydrophobicContact CD1-CD1 3.48Å; I175-L352 VanDerWaalsContact CD1-CD1 3.48Å; I175-L352 HydrophobicContact CD1-CD2 4.34Å; I175-L352 HydrophobicContact CD1-CG 3.86Å; I175-L352 HydrophobicContact CG1-CD1 4.14Å; I175-L352 HydrophobicContact CG1-CG 4.11Å; I175-L352 HydrophobicContact CG2-CD1 4.46Å
176	E	91.8	Very high	83.1	Confident	62 Å²	62	58.6 Å²	58.6	29%	0.29	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	140.5	176.8	-163.6	165.4	-143.3	0	0	110.8	L178 H181 K348 W349	E176-L178 PolarHBondContact O-N 3.27Å; E176-H181 IonicContact OE1-CD2 3.98Å; E176-H181 IonicContact OE1-CE1 2.78Å; E176-H181 PolarHBondContact OE1-CE1 3.25Å; E176-H181 IonicContact OE1-NE2 3.31Å; E176-H181 PolarHBondContact OE1-NE2 2.99Å; E176-H181 IonicContact OE2-CD2 3.9Å; E176-H181 IonicContact OE2-CE1 3.4Å; E176-H181 IonicContact OE2-NE2 2.93Å; E176-H181 PolarHBondContact OE2-NE2 3.37Å; E176-K348 CarbonylContact C-O 3.48Å; E176-K348 WeakPolarHBondContact CA-O 3.23Å; E176-K348 HydrophobicContact CG-CG 4.34Å; E176-K348 WeakPolarHBondContact OE1-CE 3.29Å; E176-K348 IonicContact OE1-NZ 3.4Å; E176-W349 HydrophobicContact CB-CE3 4.38Å; E176-W349 HydrophobicContact CB-CZ3 4.32Å
177	N	84.5	Confident	80.9	Confident	33 Å²	33	60.6 Å²	60.6	18%	0.176	30%	0.299	C	S	.	.			trans	-82.4	105.4	176.4	-174.5	6.9	0	0	0	109.1	E179 Y180 K348	N177-E179 PolarHBondContact O-N 3.1Å; N177-E179 VanDerWaalsContact O-N 3.15Å; N177-E179 PolarHBondContact OD1-N 2.74Å; N177-Y180 WeakPolarHBondContact O-CB 3.08Å; N177-Y180 PolarHBondContact O-N 3.46Å; N177-K348 WeakPolarHBondContact CB-O 3.33Å; N177-K348 PolarHBondContact N-O 3.03Å
178	L	78.6	Confident	78.8	Confident	113 Å²	113	67.1 Å²	67.1	59%	0.592	33%	0.334	S	S	*	.	H	α-helix	trans	-59.8	-27.1	-177.7	-63.6	175.2	0	0	0	113.8	E176 Y180 H181 Q182	E176-L178 PolarHBondContact O-N 3.27Å; L178-Y180 PolarHBondContact O-N 2.8Å; L178-H181 PolarHBondContact O-N 2.96Å; L178-Q182 PolarHBondContact O-N 2.9Å; L178-Q182 VanDerWaalsContact O-N 3.17Å
179	E	71.2	Confident	76.7	Confident	111 Å²	111	68.3 Å²	68.3	52%	0.519	34%	0.342	S	S	.	.	H	α-helix	trans	-63.1	-27	174.2	-68.1	-178.9	-168.8	0	0	112.6	N177 K183	N177-E179 PolarHBondContact O-N 3.1Å; N177-E179 VanDerWaalsContact O-N 3.15Å; N177-E179 PolarHBondContact OD1-N 2.74Å; E179-K183 WeakPolarHBondContact O-CG 3.24Å; E179-K183 PolarHBondContact O-N 2.76Å
180	Y	69.1	Low	74.6	Confident	32 Å²	32	74.3 Å²	74.3	13%	0.125	38%	0.384	C	S	.	.	H	α-helix	trans	-62	-46.9	174.4	178.9	-98.6	0	0	0	110.8	N177 L178 K183 L184 F200 N347 K348	N177-Y180 WeakPolarHBondContact O-CB 3.08Å; N177-Y180 PolarHBondContact O-N 3.46Å; L178-Y180 PolarHBondContact O-N 2.8Å; Y180-K183 PolarHBondContact O-N 2.88Å; Y180-L184 HydrophobicContact CD1-CD1 3.91Å; Y180-L184 HydrophobicContact CE1-CD1 3.38Å; Y180-L184 HydrophobicContact CE1-CG 4.47Å; Y180-L184 PolarHBondContact O-N 2.98Å; Y180-L184 VanDerWaalsContact O-N 3.16Å; Y180-F200 AromaticContact CD2-CE1 3.95Å; Y180-F200 HydrophobicContact CD2-CE1 3.95Å; Y180-F200 HydrophobicContact CE2-CD1 4.39Å; Y180-F200 HydrophobicContact CE2-CE1 4.23Å; Y180-N347 WeakPolarHBondContact CD2-O 3.39Å; Y180-K348 HydrophobicContact CD1-CG 4.41Å; Y180-K348 HydrophobicContact CE1-CG 4.39Å
181	H	65.9	Low	72.5	Confident	65 Å²	65	77.5 Å²	77.5	30%	0.301	41%	0.407	S	S	.	.	H	α-helix	trans	-68.7	-40.4	178.8	-74.4	-55.8	0	0	0	112.9	E176 L178 K183 L184 N185	E176-H181 IonicContact OE1-CD2 3.98Å; E176-H181 IonicContact OE1-CE1 2.78Å; E176-H181 PolarHBondContact OE1-CE1 3.25Å; E176-H181 IonicContact OE1-NE2 3.31Å; E176-H181 PolarHBondContact OE1-NE2 2.99Å; E176-H181 IonicContact OE2-CD2 3.9Å; E176-H181 IonicContact OE2-CE1 3.4Å; E176-H181 IonicContact OE2-NE2 2.93Å; E176-H181 PolarHBondContact OE2-NE2 3.37Å; L178-H181 PolarHBondContact O-N 2.96Å; H181-K183 VanDerWaalsContact C-N 3.27Å; H181-K183 PolarHBondContact O-N 2.86Å; H181-L184 PolarHBondContact O-N 2.98Å; H181-N185 PolarHBondContact O-N 3.02Å
182	Q	66.3	Low	70.2	Confident	123 Å²	123	85.8 Å²	85.8	58%	0.575	44%	0.438	S	S	*	.	H	α-helix	trans	-61.5	-37.2	177.9	-70.5	175.3	-10.9	0	0	112	L178 N186	L178-Q182 PolarHBondContact O-N 2.9Å; L178-Q182 VanDerWaalsContact O-N 3.17Å; Q182-N186 VanDerWaalsContact O-CG 3.26Å; Q182-N186 PolarHBondContact O-N 3.42Å; Q182-N186 PolarHBondContact O-ND2 2.92Å
183	K	60.4	Low	67.9	Low	103 Å²	103	89.6 Å²	89.6	45%	0.448	46%	0.464	S	S	.	.	H	α-helix	trans	-75.2	-32.7	178	-72.9	173.4	-179	171.9	0	113.2	E179 Y180 H181 F200	E179-K183 WeakPolarHBondContact O-CG 3.24Å; E179-K183 PolarHBondContact O-N 2.76Å; Y180-K183 PolarHBondContact O-N 2.88Å; H181-K183 VanDerWaalsContact C-N 3.27Å; H181-K183 PolarHBondContact O-N 2.86Å; K183-F200 HydrophobicContact CB-CZ 4.13Å; K183-F200 HydrophobicContact CD-CE2 3.95Å; K183-F200 HydrophobicContact CD-CZ 3.62Å
184	L	65.1	Low	65.5	Low	61 Å²	61	91.1 Å²	91.1	32%	0.319	49%	0.487	S	S	.	.	H	α-helix	trans	-66.1	-46.8	172.7	-75.2	173.1	0	0	0	111.5	Y180 H181 N186 N187	Y180-L184 HydrophobicContact CD1-CD1 3.91Å; Y180-L184 HydrophobicContact CE1-CD1 3.38Å; Y180-L184 HydrophobicContact CE1-CG 4.47Å; Y180-L184 PolarHBondContact O-N 2.98Å; Y180-L184 VanDerWaalsContact O-N 3.16Å; H181-L184 PolarHBondContact O-N 2.98Å; L184-N186 VanDerWaalsContact C-N 3.31Å; L184-N186 PolarHBondContact O-N 3.25Å; L184-N187 PolarHBondContact O-N 3.34Å; L184-N187 VanDerWaalsContact O-N 3.16Å
185	N	62.6	Low	63.3	Low	113 Å²	113	95 Å²	95	60%	0.604	51%	0.506	S	S	*	.	H	α-helix	trans	-66.6	-30.5	-178.3	-68.7	-6.5	0	0	0	113.2	H181 N187	H181-N185 PolarHBondContact O-N 3.02Å; N185-N187 VanDerWaalsContact C-N 3.27Å; N185-N187 PolarHBondContact O-N 3.16Å
186	N	56.9	Low	61.1	Low	117 Å²	117	95 Å²	95	63%	0.626	51%	0.51	S	S	*	.	H	α-helix	trans	-73	-17.5	176.8	-74.1	-13.3	0	0	0	113.5	Q182 L184	Q182-N186 VanDerWaalsContact O-CG 3.26Å; Q182-N186 PolarHBondContact O-N 3.42Å; Q182-N186 PolarHBondContact O-ND2 2.92Å; L184-N186 VanDerWaalsContact C-N 3.31Å; L184-N186 PolarHBondContact O-N 3.25Å
187	N	52.2	Low	59.3	Low	75 Å²	75	95.8 Å²	95.8	40%	0.401	52%	0.519	S	S	.	.	H	α-helix	trans	-87.4	-13.4	178.5	-73.2	-11	0	0	0	113.3	L184 N185	L184-N187 PolarHBondContact O-N 3.34Å; L184-N187 VanDerWaalsContact O-N 3.16Å; N185-N187 VanDerWaalsContact C-N 3.27Å; N185-N187 PolarHBondContact O-N 3.16Å
188	D	53.4	Low	57.8	Low	141 Å²	141	99.4 Å²	99.4	75%	0.754	54%	0.539	S	S	*	.	S	Bend	trans	-76.5	-11.1	171.9	-86.2	-17.8	0	0	0	112.5	S190	D188-S190 PolarHBondContact O-N 2.6Å; D188-S190 VanDerWaalsContact O-N 3.08Å
189	D	53.5	Low	56.7	Low	88 Å²	88	99 Å²	99	47%	0.471	54%	0.537	S	S	.	.	S	Bend	trans	-75.1	96.3	165.8	-166.8	-6	0	0	0	108.4	S191 R192	D189-S191 PolarHBondContact O-N 2.94Å; D189-S191 PolarHBondContact OD1-OG 3.15Å; D189-R192 PolarHBondContact O-N 3.49Å
190	S	53.7	Low	55.9	Low	126 Å²	126	97 Å²	97	88%	0.881	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	7.3	-172.8	56.3	0	0	0	0	116.1	D188	D188-S190 PolarHBondContact O-N 2.6Å; D188-S190 VanDerWaalsContact O-N 3.08Å
191	S	53.7	Low	55.6	Low	82 Å²	82	100.4 Å²	100.4	57%	0.573	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-1.6	-175	64.8	0	0	0	0	115.3	D189	D189-S191 PolarHBondContact O-N 2.94Å; D189-S191 PolarHBondContact OD1-OG 3.15Å
192	R	48.8	Very low	55.6	Low	183 Å²	183	103.4 Å²	103.4	69%	0.691	55%	0.554	S	S	*	*	S	Bend	trans	-130.5	98.1	179.6	-79.4	-173.4	174.1	88.2	-0.2	115.4	D189	D189-R192 PolarHBondContact O-N 3.49Å
193	S	49	Very low	55.7	Low	83 Å²	83	99.5 Å²	99.5	58%	0.58	54%	0.54	S	S	*	.			trans	59.5	123.4	155	78.1	0	0	0	0	117.5	I195	S193-I195 PolarHBondContact O-N 3.27Å
194	S	48.1	Very low	56.7	Low	127 Å²	127	100.6 Å²	100.6	89%	0.888	54%	0.541	S	S	*	.			trans	-59.6	53.4	163.6	46.6	0	0	0	0	113.6	S196	S194-S196 PolarHBondContact O-N 3.02Å
195	I	49.6	Very low	57.8	Low	108 Å²	108	102.2 Å²	102.2	55%	0.554	55%	0.55	S	S	*	*			trans	-68.7	96.2	159	-63.5	171.2	0	0	0	104.9	S193 T197	S193-I195 PolarHBondContact O-N 3.27Å; I195-T197 PolarHBondContact O-N 3.17Å; I195-T197 VanDerWaalsContact O-N 3.11Å
196	S	49.3	Very low	59	Low	49 Å²	49	97.2 Å²	97.2	34%	0.343	52%	0.523	S	S	.	.			trans	-49.8	120.3	179.4	52.1	0	0	0	0	109.9	S194 D198 N199	S194-S196 PolarHBondContact O-N 3.02Å; S196-D198 PolarHBondContact O-N 2.87Å; S196-N199 PolarHBondContact O-N 2.88Å; S196-N199 PolarHBondContact OG-ND2 3.12Å
197	T	52.9	Low	60.5	Low	78 Å²	78	91.8 Å²	91.8	48%	0.479	50%	0.495	S	S	.	.	H	α-helix	trans	-50	-29.6	170.1	46.2	0	0	0	0	111	I195 N199 F200 F201	I195-T197 PolarHBondContact O-N 3.17Å; I195-T197 VanDerWaalsContact O-N 3.11Å; T197-N199 VanDerWaalsContact C-N 3.27Å; T197-N199 PolarHBondContact O-N 3.01Å; T197-F200 VanDerWaalsContact O-CB 3.29Å; T197-F200 WeakPolarHBondContact O-CB 3.33Å; T197-F200 PolarHBondContact O-N 3.14Å; T197-F201 WeakPolarHBondContact O-CD2 3.28Å; T197-F201 PolarHBondContact O-N 3.02Å
198	D	54.2	Low	62	Low	110 Å²	110	91.3 Å²	91.3	59%	0.588	50%	0.501	S	S	*	.	H	α-helix	trans	-52.5	-35	173.8	-68.8	-17	0	0	0	114.8	S196 F200 K202	S196-D198 PolarHBondContact O-N 2.87Å; D198-F200 VanDerWaalsContact C-N 3.34Å; D198-K202 WeakPolarHBondContact O-CG 3.45Å; D198-K202 PolarHBondContact O-N 3.49Å
199	N	54	Low	63.5	Low	103 Å²	103	90.7 Å²	90.7	55%	0.551	50%	0.497	S	S	*	.	H	α-helix	trans	-78.5	-21.3	178	-78.2	-19.6	0	0	0	112.6	S196 T197	S196-N199 PolarHBondContact O-N 2.88Å; S196-N199 PolarHBondContact OG-ND2 3.12Å; T197-N199 VanDerWaalsContact C-N 3.27Å; T197-N199 PolarHBondContact O-N 3.01Å
200	F	55.8	Low	65.4	Low	71 Å²	71	87 Å²	87	31%	0.311	48%	0.477	S	S	.	.	H	α-helix	trans	-76.8	-31.1	-179.9	-142.3	-91.7	0	0	0	112.3	Y180 K183 T197 D198 N347	Y180-F200 AromaticContact CD2-CE1 3.95Å; Y180-F200 HydrophobicContact CD2-CE1 3.95Å; Y180-F200 HydrophobicContact CE2-CD1 4.39Å; Y180-F200 HydrophobicContact CE2-CE1 4.23Å; K183-F200 HydrophobicContact CB-CZ 4.13Å; K183-F200 HydrophobicContact CD-CE2 3.95Å; K183-F200 HydrophobicContact CD-CZ 3.62Å; T197-F200 VanDerWaalsContact O-CB 3.29Å; T197-F200 WeakPolarHBondContact O-CB 3.33Å; T197-F200 PolarHBondContact O-N 3.14Å; D198-F200 VanDerWaalsContact C-N 3.34Å; F200-N347 PolarHBondContact O-ND2 3.06Å
201	F	61.9	Low	67.3	Low	102 Å²	102	90.5 Å²	90.5	45%	0.447	48%	0.476	S	S	.	.	H	α-helix	trans	-89.1	-14	178.1	-64.6	-70.4	0	0	0	113.7	T197	T197-F201 WeakPolarHBondContact O-CD2 3.28Å; T197-F201 PolarHBondContact O-N 3.02Å
202	K	66.1	Low	69.4	Low	128 Å²	128	89.8 Å²	89.8	56%	0.557	46%	0.463	S	S	*	.	S	Bend	trans	-66.2	126	176.5	-83.4	174.2	-171.6	172.6	0	109.8	D198 R204	D198-K202 WeakPolarHBondContact O-CG 3.45Å; D198-K202 PolarHBondContact O-N 3.49Å; K202-R204 PolarHBondContact O-N 3.21Å
203	P	69.1	Low	71.7	Confident	42 Å²	42	82 Å²	82	27%	0.273	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-61.8	139.7	175.2	25.1	-31.8	0	0	0	109.5	N205 N340 I344	P203-N205 PolarHBondContact O-N 3.01Å; P203-N340 HydrophobicContact CB-CB 4.01Å; P203-N340 WeakPolarHBondContact CB-O 3.41Å; P203-N340 HydrophobicContact CG-CB 4Å; P203-I344 HydrophobicContact CB-CG1 3.96Å; P203-I344 HydrophobicContact CG-CG1 4.25Å
204	R	81.8	Confident	74	Confident	125 Å²	125	78 Å²	78	47%	0.472	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-54.4	139.1	171	-65.1	-174	-65.8	147.8	2	108.4	K202 I206 D291 N340	K202-R204 PolarHBondContact O-N 3.21Å; R204-I206 HydrophobicContact CB-CD1 4.38Å; R204-I206 HydrophobicContact CB-CG1 4.01Å; R204-I206 PolarHBondContact O-N 3.47Å; R204-D291 IonicContact CZ-OD1 3.23Å; R204-D291 IonicContact NH1-OD2 3.5Å; R204-D291 IonicContact NH2-OD1 2.63Å; R204-D291 PolarHBondContact NH2-OD1 2.78Å; R204-D291 IonicContact NH2-OD2 2.87Å; R204-N340 PolarHBondContact O-OD1 2.9Å
205	N	86.5	Confident	76.4	Confident	96 Å²	96	72 Å²	72	51%	0.513	37%	0.365	S	S	.	.			trans	-75.7	66.8	178.4	-169.5	8.5	0	0	0	111.3	P203 S207 N340	P203-N205 PolarHBondContact O-N 3.01Å; N205-S207 PolarHBondContact OD1-OG 2.9Å; N205-S207 VanDerWaalsContact OD1-OG 3.08Å; N205-N340 PolarHBondContact OD1-ND2 3.12Å; N205-N340 VanDerWaalsContact OD1-ND2 3.08Å
206	I	89.1	Confident	78.7	Confident	8 Å²	8	67 Å²	67	4%	0.041	34%	0.339	C	S	.	.			trans	-68	-38.2	-176.2	-66.8	166.8	0	0	0	110.1	R204 A208 L209 K210 D291 F339 N340 F343	R204-I206 HydrophobicContact CB-CD1 4.38Å; R204-I206 HydrophobicContact CB-CG1 4.01Å; R204-I206 PolarHBondContact O-N 3.47Å; I206-A208 PolarHBondContact O-N 3.1Å; I206-L209 PolarHBondContact O-N 3.28Å; I206-L209 VanDerWaalsContact O-N 3.11Å; I206-K210 VanDerWaalsContact CG2-CE 3.47Å; I206-K210 HydrophobicContact CG2-CG 4.38Å; I206-D291 HydrophobicContact CD1-CB 4.26Å; I206-D291 HydrophobicContact CG2-CB 4.12Å; I206-F339 HydrophobicContact CB-CE1 4.26Å; I206-F339 HydrophobicContact CG2-CE1 4.02Å; I206-N340 PolarHBondContact N-OD1 3.47Å; I206-N340 VanDerWaalsContact N-OD1 3.17Å; I206-F343 HydrophobicContact CD1-CB 3.65Å; I206-F343 HydrophobicContact CD1-CD1 3.71Å; I206-F343 HydrophobicContact CD1-CD2 3.82Å; I206-F343 HydrophobicContact CD1-CE1 4.3Å; I206-F343 HydrophobicContact CD1-CE2 4.39Å; I206-F343 HydrophobicContact CD1-CG 3.43Å; I206-F343 VanDerWaalsContact CD1-CG 3.43Å
207	S	88	Confident	80.9	Confident	3 Å²	3	66.2 Å²	66.2	2%	0.021	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-53.9	-36.7	-179.3	49.9	0	0	0	0	113.6	N205 L209 K210 H336 N340	N205-S207 PolarHBondContact OD1-OG 2.9Å; N205-S207 VanDerWaalsContact OD1-OG 3.08Å; S207-L209 PolarHBondContact O-N 3.18Å; S207-K210 PolarHBondContact O-N 3.15Å; S207-K210 VanDerWaalsContact O-N 3.12Å; S207-H336 WeakPolarHBondContact OG-CB 3.41Å; S207-H336 PolarHBondContact OG-ND1 2.76Å; S207-N340 PolarHBondContact N-OD1 2.9Å; S207-N340 PolarHBondContact OG-ND2 2.93Å; S207-N340 VanDerWaalsContact OG-ND2 3.1Å; S207-N340 PolarHBondContact OG-OD1 3.4Å
208	A	84.6	Confident	82.9	Confident	64 Å²	64	62.7 Å²	62.7	53%	0.529	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-61	-24.9	-179	0	0	0	0	0	114.1	I206	I206-A208 PolarHBondContact O-N 3.1Å
209	L	84.5	Confident	84.7	Confident	129 Å²	129	61.4 Å²	61.4	68%	0.675	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-86.9	-24.2	179.4	-60.4	175.3	0	0	0	112.4	I206 S207 E262	I206-L209 PolarHBondContact O-N 3.28Å; I206-L209 VanDerWaalsContact O-N 3.11Å; S207-L209 PolarHBondContact O-N 3.18Å; L209-E262 VanDerWaalsContact O-O 3.06Å
210	K	93.3	Very high	86.5	Confident	11 Å²	11	58.6 Å²	58.6	5%	0.048	29%	0.294	C	S	.	.			trans	-89.4	128.1	-170.5	-49.5	-52.1	-170.3	120.7	0	111.3	I206 S207 L260 K261 Y264 K265 D291	I206-K210 VanDerWaalsContact CG2-CE 3.47Å; I206-K210 HydrophobicContact CG2-CG 4.38Å; S207-K210 PolarHBondContact O-N 3.15Å; S207-K210 VanDerWaalsContact O-N 3.12Å; K210-L260 PolarHBondContact NZ-O 3.46Å; K210-L260 VanDerWaalsContact NZ-O 3.08Å; K210-K261 WeakPolarHBondContact CE-O 3.48Å; K210-K261 PolarHBondContact NZ-O 3.35Å; K210-Y264 VanDerWaalsContact CD-O 3.22Å; K210-Y264 WeakPolarHBondContact CD-O 3.18Å; K210-Y264 WeakPolarHBondContact CE-O 3.46Å; K210-Y264 WeakPolarHBondContact CG-O 3.14Å; K210-Y264 PolarHBondContact NZ-O 3.34Å; K210-K265 HydrophobicContact CB-CD 4.43Å; K210-K265 HydrophobicContact CB-CG 3.5Å; K210-K265 HydrophobicContact CG-CG 4.02Å; K210-D291 WeakPolarHBondContact CE-O 3.07Å; K210-D291 PolarHBondContact NZ-O 3.16Å
211	K	93.6	Very high	88.3	Confident	198 Å²	198	56.5 Å²	56.5	86%	0.861	29%	0.288	S	S	*	.			trans	-111	-15.3	-179.4	-64.4	-174.7	178.5	-177	0	114.1	Q263	K211-Q263 PolarHBondContact N-O 3.49Å
212	K	97.1	Very high	89.8	Confident	68 Å²	68	58.5 Å²	58.5	30%	0.296	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	150.8	-175.7	-61.6	-175.1	174.6	-179	0	110.6	Q263 Y264 K265	K212-Q263 WeakPolarHBondContact CB-O 3.36Å; K212-Q263 HydrophobicContact CD-CB 4.28Å; K212-Q263 PolarHBondContact N-O 3.01Å; K212-Y264 HydrophobicContact CB-CD1 3.47Å; K212-Y264 VanDerWaalsContact CB-CD1 3.47Å; K212-Y264 HydrophobicContact CB-CE1 3.45Å; K212-Y264 VanDerWaalsContact CB-CE1 3.45Å; K212-Y264 HydrophobicContact CB-CG 4.1Å; K212-Y264 HydrophobicContact CD-CD1 4.32Å; K212-Y264 HydrophobicContact CD-CE1 3.58Å; K212-Y264 HydrophobicContact CD-CE2 3.89Å; K212-Y264 WeakPolarHBondContact CD-OH 3.5Å; K212-Y264 HydrophobicContact CG-CE1 4.2Å; K212-Y264 PolarHBondContact NZ-OH 3.23Å; K212-Y264 CarbonylContact O-C 3.57Å; K212-Y264 WeakPolarHBondContact O-CA 3.36Å; K212-K265 PolarHBondContact O-N 3.28Å
213	T	97	Very high	91.2	Very high	19 Å²	19	53.4 Å²	53.4	12%	0.117	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-82.4	-175	50.9	0	0	0	0	111	I238 T239 K265 F266	T213-I238 HydrophobicContact CG2-CD1 4.34Å; T213-I238 HydrophobicContact CG2-CG1 4.41Å; T213-T239 PolarHBondContact OG1-O 3.03Å; T213-K265 PolarHBondContact O-N 3.1Å; T213-F266 WeakPolarHBondContact O-CD2 3.41Å; T213-F266 PolarHBondContact O-N 3.45Å
214	V	98.6	Very high	92.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127.9	-168.6	-173	0	0	0	0	111.3	I238 T239 V240 D241 F266 L268 L329	V214-I238 HydrophobicContact CG2-CD1 3.93Å; V214-I238 HydrophobicContact CG2-CG1 4.22Å; V214-I238 HydrophobicContact CG2-CG2 4.27Å; V214-T239 WeakPolarHBondContact CB-O 3.04Å; V214-V240 HydrophobicContact CB-CG2 4.14Å; V214-V240 HydrophobicContact CG1-CG1 4.24Å; V214-V240 HydrophobicContact CG1-CG2 4.13Å; V214-D241 PolarHBondContact O-N 3.12Å; V214-F266 WeakPolarHBondContact CA-O 3.37Å; V214-F266 HydrophobicContact CG2-CB 4.14Å; V214-F266 HydrophobicContact CG2-CD2 4.04Å; V214-F266 HydrophobicContact CG2-CG 4.5Å; V214-L268 HydrophobicContact CG1-CD1 4.1Å; V214-L268 HydrophobicContact CG1-CD2 3.58Å; V214-L268 HydrophobicContact CG1-CG 3.53Å; V214-L329 HydrophobicContact CG2-CD1 3.99Å
215	A	97.9	Very high	92.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	148.1	167	0	0	0	0	0	111.6	D241 L260 Y264 F266 Y267 L268	A215-D241 WeakPolarHBondContact CA-O 3.29Å; A215-L260 HydrophobicContact CB-CD2 3.43Å; A215-L260 VanDerWaalsContact CB-CD2 3.43Å; A215-Y264 HydrophobicContact CB-CD1 3.55Å; A215-Y264 HydrophobicContact CB-CD2 3.82Å; A215-Y264 HydrophobicContact CB-CE1 3.72Å; A215-Y264 HydrophobicContact CB-CE2 3.96Å; A215-Y264 HydrophobicContact CB-CG 3.59Å; A215-F266 PolarHBondContact N-O 2.75Å; A215-Y267 HydrophobicContact CB-CD2 4.27Å; A215-Y267 WeakPolarHBondContact O-CA 3.44Å; A215-Y267 WeakPolarHBondContact O-CD2 3.3Å; A215-L268 PolarHBondContact O-N 3.31Å
216	W	97.7	Very high	93.3	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	119.6	171.3	-170.1	30.3	0	0	0	111.1	V218 R227 N228 A231 V240 D241 V242 Y243 L268 F270 W407 F408	W216-V218 HydrophobicContact CD2-CG2 3.21Å; W216-V218 HydrophobicContact CE3-CG2 3.61Å; W216-V218 HydrophobicContact CG-CG2 3.63Å; W216-V218 HydrophobicContact CH2-CG1 4.49Å; W216-V218 HydrophobicContact CH2-CG2 3.82Å; W216-V218 HydrophobicContact CZ2-CG1 4.26Å; W216-V218 HydrophobicContact CZ2-CG2 3.49Å; W216-V218 VanDerWaalsContact CZ2-CG2 3.49Å; W216-V218 HydrophobicContact CZ3-CG2 3.87Å; W216-R227 HydrophobicContact CZ2-CB 4.36Å; W216-R227 HydrophobicContact CZ2-CG 4Å; W216-N228 WeakPolarHBondContact CH2-OD1 3.43Å; W216-A231 HydrophobicContact CD2-CB 4.11Å; W216-A231 HydrophobicContact CE3-CB 3.54Å; W216-A231 HydrophobicContact CH2-CB 3.68Å; W216-A231 HydrophobicContact CZ2-CB 4.19Å; W216-A231 HydrophobicContact CZ3-CB 3.32Å; W216-V240 HydrophobicContact CB-CG1 4.14Å; W216-D241 PolarHBondContact N-O 3.22Å; W216-V242 HydrophobicContact CE3-CG1 4.17Å; W216-V242 HydrophobicContact CE3-CG2 4.04Å; W216-V242 CarbonylContact O-C 3.56Å; W216-V242 WeakPolarHBondContact O-CA 3.33Å; W216-Y243 PolarHBondContact O-N 3.17Å; W216-L268 HydrophobicContact CB-CB 4.01Å; W216-L268 HydrophobicContact CB-CD1 3.94Å; W216-L268 HydrophobicContact CB-CG 4.16Å; W216-L268 VanDerWaalsContact CD1-CB 3.47Å; W216-L268 VanDerWaalsContact CD1-O 3.26Å; W216-L268 HydrophobicContact CD2-CD1 4.2Å; W216-L268 HydrophobicContact CG-CB 3.77Å; W216-L268 HydrophobicContact CG-CD1 3.91Å; W216-L268 HydrophobicContact CG-CG 4.27Å; W216-F270 HydrophobicContact CZ2-CD2 4.46Å; W216-W407 HydrophobicContact CE3-CH2 4.26Å; W216-W407 HydrophobicContact CH2-CZ3 4.33Å; W216-W407 AromaticContact CZ3-CH2 3.63Å; W216-W407 HydrophobicContact CZ3-CH2 3.63Å; W216-W407 AromaticContact CZ3-CZ3 3.69Å; W216-W407 HydrophobicContact CZ3-CZ3 3.69Å; W216-F408 HydrophobicContact CH2-CZ 4.45Å; W216-F408 HydrophobicContact CZ3-CE1 4.41Å
217	I	95.9	Very high	93.7	Very high	34 Å²	34	48.2 Å²	48.2	17%	0.174	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	117.8	179.3	-59.2	162	0	0	0	108.5	Y243 C256 L260 Y267	I217-Y243 WeakPolarHBondContact CA-O 3.25Å; I217-C256 HydrophobicContact CD1-CB 3.7Å; I217-L260 HydrophobicContact CD1-CD1 3.81Å; I217-L260 HydrophobicContact CD1-CG 4.32Å; I217-Y267 HydrophobicContact CB-CE2 4.09Å; I217-Y267 HydrophobicContact CD1-CE2 3.82Å; I217-Y267 HydrophobicContact CG1-CE2 3.88Å
218	V	94	Very high	94	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.018	26%	0.263	C	S	.	.			trans	-131.7	121.5	-170.6	-163.4	0	0	0	0	111.1	W216 V242 Y243 G244 K245 C246	W216-V218 HydrophobicContact CD2-CG2 3.21Å; W216-V218 HydrophobicContact CE3-CG2 3.61Å; W216-V218 HydrophobicContact CG-CG2 3.63Å; W216-V218 HydrophobicContact CH2-CG1 4.49Å; W216-V218 HydrophobicContact CH2-CG2 3.82Å; W216-V218 HydrophobicContact CZ2-CG1 4.26Å; W216-V218 HydrophobicContact CZ2-CG2 3.49Å; W216-V218 VanDerWaalsContact CZ2-CG2 3.49Å; W216-V218 HydrophobicContact CZ3-CG2 3.87Å; V218-V242 HydrophobicContact CG2-CG1 4.31Å; V218-Y243 PolarHBondContact N-O 3.04Å; V218-G244 CarbonylContact O-C 3.59Å; V218-K245 PolarHBondContact O-N 3.03Å; V218-K245 VanDerWaalsContact O-N 3.08Å; V218-C246 HydrophobicContact CB-CB 4.21Å; V218-C246 HydrophobicContact CG1-CB 4.25Å; V218-C246 PolarHBondContact O-N 2.99Å
219	S	91.9	Very high	94.6	Very high	84 Å²	84	46.8 Å²	46.8	59%	0.587	24%	0.244	S	C	*	.	S	Bend	trans	-110.6	-31.2	175.9	57.5	0	0	0	0	113.3
220	N	92.9	Very high	95.2	Very high	44 Å²	44	40.7 Å²	40.7	24%	0.235	21%	0.212	C	C	.	.			trans	-95.8	106.4	173.5	176.7	12.8	0	0	0	110.4	H222 R227	N220-H222 VanDerWaalsContact C-N 3.32Å; N220-H222 PolarHBondContact OD1-N 2.78Å; N220-H222 PolarHBondContact OD1-O 2.7Å; N220-R227 PolarHBondContact O-NH2 2.62Å
221	C	93.4	Very high	95.4	Very high	27 Å²	27	40.2 Å²	40.2	18%	0.182	21%	0.21	C	C	.	.	S	Bend	trans	-83.1	-10.5	-175.7	-41.2	0	0	0	0	113.4	P223 N228 C246 F408	C221-P223 WeakPolarHBondContact O-CD 3.49Å; C221-N228 PolarHBondContact O-ND2 3.16Å; C221-C246 WeakPolarHBondContact CA-SG 3.46Å; C221-C246 HydrophobicContact CB-CB 4.01Å; C221-C246 WeakPolarHBondContact CB-SG 3.48Å; C221-C246 PolarHBondContact N-SG 2.99Å; C221-C246 WeakPolarHBondContact SG-CA 3.25Å; C221-C246 WeakPolarHBondContact SG-CB 3.33Å; C221-C246 CovalentContact SG-SG 2.04Å; C221-C246 PolarHBondContact SG-SG 3.15Å; C221-F408 HydrophobicContact CB-CD2 3.99Å; C221-F408 HydrophobicContact CB-CE2 3.83Å
222	H	93	Very high	95.5	Very high	144 Å²	144	34 Å²	34	67%	0.667	18%	0.181	S	C	*	.	S	Bend	trans	-126.2	64.3	-179.6	-50.9	111.8	0	0	0	110.1	N220	N220-H222 VanDerWaalsContact C-N 3.32Å; N220-H222 PolarHBondContact OD1-N 2.78Å; N220-H222 PolarHBondContact OD1-O 2.7Å
223	P	94.4	Very high	95.5	Very high	21 Å²	21	31.5 Å²	31.5	14%	0.136	17%	0.171	C	C	.	.			trans	-70.9	156.1	174.4	33.4	-36.2	0	0	0	111.5	C221 S225 R227 N228 N272	C221-P223 WeakPolarHBondContact O-CD 3.49Å; P223-S225 VanDerWaalsContact C-N 3.3Å; P223-R227 HydrophobicContact CB-CG 4.14Å; P223-R227 HydrophobicContact CG-CG 3.61Å; P223-N228 WeakPolarHBondContact CD-ND2 3.05Å; P223-N272 WeakPolarHBondContact CB-O 3.34Å
224	D	93.6	Very high	95.5	Very high	101 Å²	101	30.6 Å²	30.6	54%	0.54	17%	0.166	S	C	.	.	S	Bend	trans	-74.5	-22.9	168	-63	-87	0	0	0	112.3	P143 H144 N272	P143-D224 HydrophobicContact CB-CB 4.26Å; P143-D224 VanDerWaalsContact CB-CG 3.42Å; P143-D224 WeakPolarHBondContact CB-OD2 3.31Å; P143-D224 HydrophobicContact CG-CB 4.32Å; H144-D224 IonicContact CE1-OD2 3.73Å; H144-D224 PolarHBondContact CE1-OD2 3.21Å; H144-D224 IonicContact ND1-OD2 3.65Å; H144-D224 IonicContact NE2-OD2 3.67Å; H144-D224 PolarHBondContact NE2-OD2 2.6Å; D224-N272 PolarHBondContact N-O 3.46Å; D224-N272 VanDerWaalsContact N-O 3.16Å
225	S	94.9	Very high	95.4	Very high	6 Å²	6	32.6 Å²	32.6	4%	0.042	18%	0.179	C	C	.	.	S	Bend	trans	-76.1	153.5	175.4	74.5	0	0	0	0	112.4	P223 R227 E271 N272	P223-S225 VanDerWaalsContact C-N 3.3Å; S225-R227 PolarHBondContact O-N 2.87Å; S225-R227 WeakPolarHBondContact OG-CB 3.25Å; S225-R227 WeakPolarHBondContact OG-CG 3.26Å; S225-E271 WeakPolarHBondContact CB-O 3.4Å; S225-E271 PolarHBondContact OG-O 3.01Å; S225-N272 WeakPolarHBondContact CB-O 3.15Å; S225-N272 PolarHBondContact N-O 3.32Å; S225-N272 PolarHBondContact OG-O 3.16Å
226	P	94.5	Very high	95.3	Very high	51 Å²	51	37 Å²	37	33%	0.331	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	16.9	176.7	33.5	-38.2	0	0	0	113.4	N228 L229 Y230 L274 M297 L393	P226-N228 VanDerWaalsContact C-N 3.26Å; P226-N228 PolarHBondContact O-N 3.48Å; P226-L229 PolarHBondContact O-N 3.25Å; P226-L229 VanDerWaalsContact O-N 3.16Å; P226-Y230 PolarHBondContact O-N 2.77Å; P226-L274 HydrophobicContact CG-CD1 4.27Å; P226-M297 HydrophobicContact CG-SD 4.4Å; P226-L393 HydrophobicContact CG-CD1 3.62Å; P226-L393 HydrophobicContact CG-CG 3.96Å
227	R	96.4	Very high	95.4	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.015	22%	0.216	C	C	.	.	H	α-helix	trans	-58.6	-33.8	-171.2	69.6	176.4	-169.7	-159.1	-13.7	114	W216 N220 P223 S225 Y230 A231 F270 E271 N272 M297	W216-R227 HydrophobicContact CZ2-CB 4.36Å; W216-R227 HydrophobicContact CZ2-CG 4Å; N220-R227 PolarHBondContact O-NH2 2.62Å; P223-R227 HydrophobicContact CB-CG 4.14Å; P223-R227 HydrophobicContact CG-CG 3.61Å; S225-R227 PolarHBondContact O-N 2.87Å; S225-R227 WeakPolarHBondContact OG-CB 3.25Å; S225-R227 WeakPolarHBondContact OG-CG 3.26Å; R227-Y230 PolarHBondContact O-N 2.92Å; R227-A231 VanDerWaalsContact O-CB 3.24Å; R227-A231 WeakPolarHBondContact O-CB 3.46Å; R227-A231 PolarHBondContact O-N 3.33Å; R227-F270 HydrophobicContact CB-CB 3.75Å; R227-F270 HydrophobicContact CB-CD2 3.86Å; R227-F270 HydrophobicContact CB-CG 4.2Å; R227-F270 PolarHBondContact NH1-O 2.9Å; R227-F270 VanDerWaalsContact NH1-O 3.12Å; R227-E271 WeakPolarHBondContact CD-O 3.06Å; R227-N272 PolarHBondContact NH1-OD1 2.82Å; R227-N272 PolarHBondContact NH2-OD1 3.39Å; R227-M297 HydrophobicContact CB-SD 3.88Å
228	N	95.9	Very high	95.5	Very high	10 Å²	10	40.2 Å²	40.2	5%	0.053	21%	0.21	C	C	.	.	H	α-helix	trans	-66.1	-48.4	179.6	-68.4	-5.1	0	0	0	110.3	W216 C221 P223 P226 Y230 A231 Y232 F402 A404 W407	W216-N228 WeakPolarHBondContact CH2-OD1 3.43Å; C221-N228 PolarHBondContact O-ND2 3.16Å; P223-N228 WeakPolarHBondContact CD-ND2 3.05Å; P226-N228 VanDerWaalsContact C-N 3.26Å; P226-N228 PolarHBondContact O-N 3.48Å; N228-Y230 VanDerWaalsContact C-N 3.34Å; N228-Y230 PolarHBondContact O-N 2.95Å; N228-A231 PolarHBondContact O-N 3.39Å; N228-Y232 WeakPolarHBondContact O-CB 3.01Å; N228-Y232 PolarHBondContact O-N 2.76Å; N228-F402 HydrophobicContact CB-CE1 4.07Å; N228-F402 HydrophobicContact CB-CZ 3.97Å; N228-A404 HydrophobicContact CB-CB 4.06Å; N228-A404 WeakPolarHBondContact ND2-CB 3.42Å; N228-W407 WeakPolarHBondContact O-CZ3 3.42Å
229	L	95.5	Very high	95.6	Very high	27 Å²	27	44.4 Å²	44.4	14%	0.141	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-42.5	177.6	173.8	57.6	0	0	0	110.9	P226 Y232 E233 W395 Q399 F402	P226-L229 PolarHBondContact O-N 3.25Å; P226-L229 VanDerWaalsContact O-N 3.16Å; L229-Y232 HydrophobicContact CD1-CD1 4.5Å; L229-Y232 PolarHBondContact O-N 2.85Å; L229-E233 HydrophobicContact CD1-CG 4.27Å; L229-E233 WeakPolarHBondContact O-CG 3.24Å; L229-E233 PolarHBondContact O-N 3.26Å; L229-W395 HydrophobicContact CD1-CH2 4.4Å; L229-W395 HydrophobicContact CD2-CH2 4.27Å; L229-W395 HydrophobicContact CD2-CZ3 4.45Å; L229-W395 HydrophobicContact CG-CH2 3.84Å; L229-W395 HydrophobicContact CG-CZ3 4.14Å; L229-Q399 HydrophobicContact CD1-CB 4.03Å; L229-Q399 HydrophobicContact CD1-CG 4.5Å; L229-F402 VanDerWaalsContact CA-CE1 3.49Å; L229-F402 HydrophobicContact CB-CD1 3.71Å; L229-F402 HydrophobicContact CB-CE1 3.7Å; L229-F402 HydrophobicContact CB-CG 4.41Å; L229-F402 HydrophobicContact CB-CZ 4.4Å; L229-F402 HydrophobicContact CD1-CB 3.69Å; L229-F402 HydrophobicContact CD1-CD1 3.71Å; L229-F402 HydrophobicContact CD1-CD2 4.13Å; L229-F402 HydrophobicContact CD1-CE1 4.38Å; L229-F402 HydrophobicContact CD1-CG 3.56Å; L229-F402 HydrophobicContact CG-CD1 4.21Å
230	Y	97.5	Very high	95.9	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-64.9	-45.2	179.4	-162.7	-74.9	0	0	0	112.5	P226 R227 N228 Y232 E233 L234 F270 M297 V316 P322 L325 L393 W395	P226-Y230 PolarHBondContact O-N 2.77Å; R227-Y230 PolarHBondContact O-N 2.92Å; N228-Y230 VanDerWaalsContact C-N 3.34Å; N228-Y230 PolarHBondContact O-N 2.95Å; Y230-Y232 VanDerWaalsContact C-N 3.32Å; Y230-E233 PolarHBondContact O-N 2.89Å; Y230-L234 WeakPolarHBondContact O-CB 3.49Å; Y230-L234 PolarHBondContact O-N 3.42Å; Y230-F270 AromaticContact CD1-CE2 3.87Å; Y230-F270 HydrophobicContact CD1-CE2 3.87Å; Y230-F270 AromaticContact CD1-CZ 3.77Å; Y230-F270 HydrophobicContact CD1-CZ 3.77Å; Y230-F270 HydrophobicContact CE1-CZ 4.14Å; Y230-M297 VanDerWaalsContact CB-CE 3.42Å; Y230-M297 HydrophobicContact CD1-CE 3.8Å; Y230-M297 HydrophobicContact CD2-CE 3.5Å; Y230-M297 VanDerWaalsContact CD2-CE 3.5Å; Y230-M297 HydrophobicContact CE1-CE 4.46Å; Y230-M297 HydrophobicContact CE2-CE 4.22Å; Y230-M297 HydrophobicContact CG-CE 3.28Å; Y230-V316 HydrophobicContact CD1-CG1 4.34Å; Y230-V316 HydrophobicContact CE1-CB 4.23Å; Y230-V316 HydrophobicContact CE1-CG1 3.66Å; Y230-V316 HydrophobicContact CE2-CB 4.08Å; Y230-V316 HydrophobicContact CE2-CG1 4.35Å; Y230-P322 HydrophobicContact CD1-CG 4.18Å; Y230-P322 HydrophobicContact CD2-CG 4.04Å; Y230-P322 HydrophobicContact CE1-CB 4.15Å; Y230-P322 HydrophobicContact CE1-CG 3.97Å; Y230-P322 HydrophobicContact CE2-CG 3.81Å; Y230-P322 HydrophobicContact CG-CG 4.19Å; Y230-L325 HydrophobicContact CE1-CD2 3.76Å; Y230-L393 HydrophobicContact CD2-CD1 3.71Å; Y230-L393 HydrophobicContact CE2-CD1 4.22Å; Y230-W395 HydrophobicContact CD2-CD2 4.22Å; Y230-W395 AromaticContact CD2-CE3 3.36Å; Y230-W395 HydrophobicContact CD2-CE3 3.36Å; Y230-W395 AromaticContact CD2-CZ3 3.66Å; Y230-W395 HydrophobicContact CD2-CZ3 3.66Å; Y230-W395 HydrophobicContact CE2-CB 4.32Å; Y230-W395 HydrophobicContact CE2-CD2 4.29Å; Y230-W395 AromaticContact CE2-CE3 3.85Å; Y230-W395 HydrophobicContact CE2-CE3 3.85Å; Y230-W395 HydrophobicContact CE2-CZ3 4.48Å; Y230-W395 HydrophobicContact CG-CE3 4.3Å; Y230-W395 HydrophobicContact CG-CZ3 4.16Å
231	A	97.6	Very high	96.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.9	-38	177.4	0	0	0	0	0	111.6	W216 R227 N228 L234 S235 L268 F270 W407	W216-A231 HydrophobicContact CD2-CB 4.11Å; W216-A231 HydrophobicContact CE3-CB 3.54Å; W216-A231 HydrophobicContact CH2-CB 3.68Å; W216-A231 HydrophobicContact CZ2-CB 4.19Å; W216-A231 HydrophobicContact CZ3-CB 3.32Å; R227-A231 VanDerWaalsContact O-CB 3.24Å; R227-A231 WeakPolarHBondContact O-CB 3.46Å; R227-A231 PolarHBondContact O-N 3.33Å; N228-A231 PolarHBondContact O-N 3.39Å; A231-L234 PolarHBondContact O-N 2.85Å; A231-S235 WeakPolarHBondContact O-CB 3.26Å; A231-S235 PolarHBondContact O-N 3.25Å; A231-L268 HydrophobicContact CB-CD1 4.12Å; A231-F270 HydrophobicContact CB-CD2 4.46Å; A231-F270 HydrophobicContact CB-CE2 4.17Å; A231-W407 HydrophobicContact CB-CH2 3.78Å; A231-W407 HydrophobicContact CB-CZ3 4.26Å
232	Y	95.7	Very high	96.1	Very high	67 Å²	67	39.5 Å²	39.5	26%	0.263	20%	0.201	S	C	.	.	H	α-helix	trans	-59.8	-50.3	172.6	171.1	-108.3	0	0	0	111.5	N228 L229 Y230 L234 S235 Q399 F402 W407	N228-Y232 WeakPolarHBondContact O-CB 3.01Å; N228-Y232 PolarHBondContact O-N 2.76Å; L229-Y232 HydrophobicContact CD1-CD1 4.5Å; L229-Y232 PolarHBondContact O-N 2.85Å; Y230-Y232 VanDerWaalsContact C-N 3.32Å; Y232-L234 VanDerWaalsContact C-N 3.33Å; Y232-L234 PolarHBondContact O-N 3.06Å; Y232-S235 PolarHBondContact O-N 2.92Å; Y232-S235 PolarHBondContact O-OG 3.31Å; Y232-Q399 VanDerWaalsContact CE1-OE1 3.29Å; Y232-F402 VanDerWaalsContact CB-CE2 3.47Å; Y232-F402 AromaticContact CD1-CD2 3.47Å; Y232-F402 HydrophobicContact CD1-CD2 3.47Å; Y232-F402 VanDerWaalsContact CD1-CD2 3.47Å; Y232-F402 AromaticContact CD1-CE2 3.77Å; Y232-F402 HydrophobicContact CD1-CE2 3.77Å; Y232-F402 HydrophobicContact CD1-CG 4.43Å; Y232-F402 HydrophobicContact CD2-CD2 4.43Å; Y232-F402 HydrophobicContact CD2-CE2 4.13Å; Y232-F402 AromaticContact CE1-CD2 3.94Å; Y232-F402 HydrophobicContact CE1-CD2 3.94Å; Y232-F402 AromaticContact CG-CD2 3.74Å; Y232-F402 HydrophobicContact CG-CD2 3.74Å; Y232-F402 AromaticContact CG-CE2 3.51Å; Y232-F402 HydrophobicContact CG-CE2 3.51Å; Y232-W407 AromaticContact CD2-CD1 3.7Å; Y232-W407 AromaticContact CD2-CD2 3.81Å; Y232-W407 HydrophobicContact CD2-CD2 3.81Å; Y232-W407 AromaticContact CD2-CE2 3.73Å; Y232-W407 AromaticContact CD2-CG 3.79Å; Y232-W407 HydrophobicContact CD2-CG 3.79Å; Y232-W407 HydrophobicContact CD2-CZ2 4.36Å; Y232-W407 AromaticContact CD2-NE1 3.66Å; Y232-W407 HydrophobicContact CE2-CG 4.42Å; Y232-W407 HydrophobicContact CG-CD2 4.28Å
233	E	96.3	Very high	96.2	Very high	17 Å²	17	33.7 Å²	33.7	8%	0.079	17%	0.174	C	C	.	.	H	α-helix	trans	-62.9	-40	177.4	-75.3	-54.5	126.2	0	0	112.9	L229 Y230 S235 K236 Y237 P322 W395 Q399	L229-E233 HydrophobicContact CD1-CG 4.27Å; L229-E233 WeakPolarHBondContact O-CG 3.24Å; L229-E233 PolarHBondContact O-N 3.26Å; Y230-E233 PolarHBondContact O-N 2.89Å; E233-S235 VanDerWaalsContact C-N 3.29Å; E233-S235 PolarHBondContact O-N 3.37Å; E233-K236 PolarHBondContact O-N 2.78Å; E233-K236 VanDerWaalsContact OE1-CE 3.29Å; E233-K236 WeakPolarHBondContact OE1-CE 3.48Å; E233-K236 IonicContact OE1-NZ 2.57Å; E233-K236 PolarHBondContact OE1-NZ 3.49Å; E233-K236 IonicContact OE2-NZ 2.85Å; E233-K236 PolarHBondContact OE2-NZ 3.41Å; E233-Y237 WeakPolarHBondContact O-CD2 3.43Å; E233-Y237 VanDerWaalsContact O-CE2 3.28Å; E233-Y237 WeakPolarHBondContact O-CE2 3.28Å; E233-P322 HydrophobicContact CB-CB 3.9Å; E233-P322 HydrophobicContact CB-CG 3.72Å; E233-W395 HydrophobicContact CB-CH2 4.01Å; E233-W395 HydrophobicContact CB-CZ2 4.18Å; E233-W395 HydrophobicContact CG-CH2 3.48Å; E233-W395 VanDerWaalsContact CG-CH2 3.48Å; E233-W395 HydrophobicContact CG-CZ2 3.63Å; E233-Q399 PolarHBondContact OE1-NE2 3.46Å; E233-Q399 PolarHBondContact OE1-OE1 3.06Å
234	L	98.1	Very high	96.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.8	-41.1	176	-175.9	62	0	0	0	111.3	Y230 A231 Y232 K236 Y237 I238 V240 L268 P322 L325 A326	Y230-L234 WeakPolarHBondContact O-CB 3.49Å; Y230-L234 PolarHBondContact O-N 3.42Å; A231-L234 PolarHBondContact O-N 2.85Å; Y232-L234 VanDerWaalsContact C-N 3.33Å; Y232-L234 PolarHBondContact O-N 3.06Å; L234-K236 PolarHBondContact O-N 3.49Å; L234-K236 VanDerWaalsContact O-N 3.08Å; L234-Y237 PolarHBondContact O-N 2.88Å; L234-I238 HydrophobicContact CD1-CG2 3.77Å; L234-I238 HydrophobicContact CG-CG2 3.81Å; L234-I238 PolarHBondContact O-N 2.84Å; L234-V240 HydrophobicContact CD2-CG2 4.39Å; L234-V240 HydrophobicContact CG-CG2 4.28Å; L234-L268 HydrophobicContact CD2-CD1 4.2Å; L234-L268 HydrophobicContact CD2-CD2 3.9Å; L234-P322 HydrophobicContact CB-CB 4.18Å; L234-P322 HydrophobicContact CD1-CB 4.45Å; L234-P322 WeakPolarHBondContact CD1-O 3.39Å; L234-L325 HydrophobicContact CD1-CB 4.47Å; L234-L325 HydrophobicContact CD1-CD2 4.05Å; L234-L325 HydrophobicContact CD1-CG 4.2Å; L234-L325 HydrophobicContact CD2-CD2 4.13Å; L234-A326 HydrophobicContact CD1-CB 3.9Å
235	S	96.7	Very high	95.9	Very high	41 Å²	41	35.8 Å²	35.8	29%	0.287	18%	0.179	S	C	.	.	H	α-helix	trans	-62	-17	-177.7	76.6	0	0	0	0	114.6	A231 Y232 E233 Y237 I238	A231-S235 WeakPolarHBondContact O-CB 3.26Å; A231-S235 PolarHBondContact O-N 3.25Å; Y232-S235 PolarHBondContact O-N 2.92Å; Y232-S235 PolarHBondContact O-OG 3.31Å; E233-S235 VanDerWaalsContact C-N 3.29Å; E233-S235 PolarHBondContact O-N 3.37Å; S235-Y237 VanDerWaalsContact C-N 3.29Å; S235-I238 CarbonylContact C-O 3.55Å; S235-I238 WeakPolarHBondContact CA-O 3.09Å
236	K	96	Very high	95.8	Very high	93 Å²	93	35.5 Å²	35.5	40%	0.404	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-19.2	174.4	-60.6	178	-173.5	169.3	0	113.4	E233 L234 Q399	E233-K236 PolarHBondContact O-N 2.78Å; E233-K236 VanDerWaalsContact OE1-CE 3.29Å; E233-K236 WeakPolarHBondContact OE1-CE 3.48Å; E233-K236 IonicContact OE1-NZ 2.57Å; E233-K236 PolarHBondContact OE1-NZ 3.49Å; E233-K236 IonicContact OE2-NZ 2.85Å; E233-K236 PolarHBondContact OE2-NZ 3.41Å; L234-K236 PolarHBondContact O-N 3.49Å; L234-K236 VanDerWaalsContact O-N 3.08Å; K236-Q399 VanDerWaalsContact NZ-NE2 3.16Å
237	Y	98.3	Very high	95.5	Very high	97 Å²	97	33.5 Å²	33.5	38%	0.38	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119	-18.1	-170.8	-53.6	-65.4	0	0	0	113.2	E233 L234 S235 R323 A326 H330	E233-Y237 WeakPolarHBondContact O-CD2 3.43Å; E233-Y237 VanDerWaalsContact O-CE2 3.28Å; E233-Y237 WeakPolarHBondContact O-CE2 3.28Å; L234-Y237 PolarHBondContact O-N 2.88Å; S235-Y237 VanDerWaalsContact C-N 3.29Å; Y237-R323 HydrophobicContact CD1-CB 4.39Å; Y237-R323 HydrophobicContact CD1-CG 3.91Å; Y237-R323 HydrophobicContact CD2-CB 3.85Å; Y237-R323 HydrophobicContact CD2-CG 4.25Å; Y237-R323 HydrophobicContact CE1-CB 4.25Å; Y237-R323 HydrophobicContact CE1-CG 3.89Å; Y237-R323 HydrophobicContact CE2-CB 3.68Å; Y237-R323 HydrophobicContact CE2-CG 4.23Å; Y237-R323 HydrophobicContact CG-CB 4.2Å; Y237-R323 HydrophobicContact CG-CG 4.09Å; Y237-A326 VanDerWaalsContact CB-CB 3.44Å; Y237-A326 HydrophobicContact CG-CB 4.46Å; Y237-H330 PolarHBondContact O-NE2 3.01Å
238	I	98.5	Very high	94.7	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.036	18%	0.179	C	C	.	.	S	Bend	trans	-149.3	145	175.8	-171	165	0	0	0	109.1	T213 V214 L234 S235 V240 A326 L329	T213-I238 HydrophobicContact CG2-CD1 4.34Å; T213-I238 HydrophobicContact CG2-CG1 4.41Å; V214-I238 HydrophobicContact CG2-CD1 3.93Å; V214-I238 HydrophobicContact CG2-CG1 4.22Å; V214-I238 HydrophobicContact CG2-CG2 4.27Å; L234-I238 HydrophobicContact CD1-CG2 3.77Å; L234-I238 HydrophobicContact CG-CG2 3.81Å; L234-I238 PolarHBondContact O-N 2.84Å; S235-I238 CarbonylContact C-O 3.55Å; S235-I238 WeakPolarHBondContact CA-O 3.09Å; I238-V240 HydrophobicContact CG2-CG2 4.36Å; I238-V240 PolarHBondContact O-N 2.94Å; I238-A326 HydrophobicContact CB-CB 4.22Å; I238-A326 HydrophobicContact CG2-CB 4.06Å; I238-L329 HydrophobicContact CD1-CB 3.6Å; I238-L329 HydrophobicContact CD1-CD1 4.28Å
239	T	97.5	Very high	94	Very high	91 Å²	91	39.7 Å²	39.7	56%	0.558	19%	0.19	S	C	*	.			trans	-61.1	123.4	177.1	-54.2	0	0	0	0	110.5	T213 V214	T213-T239 PolarHBondContact OG1-O 3.03Å; V214-T239 WeakPolarHBondContact CB-O 3.04Å
240	V	97.6	Very high	93.2	Very high	18 Å²	18	46.5 Å²	46.5	11%	0.109	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	107.3	174.6	-179.5	0	0	0	0	108.5	V214 W216 L234 I238 V242 L268	V214-V240 HydrophobicContact CB-CG2 4.14Å; V214-V240 HydrophobicContact CG1-CG1 4.24Å; V214-V240 HydrophobicContact CG1-CG2 4.13Å; W216-V240 HydrophobicContact CB-CG1 4.14Å; L234-V240 HydrophobicContact CD2-CG2 4.39Å; L234-V240 HydrophobicContact CG-CG2 4.28Å; I238-V240 HydrophobicContact CG2-CG2 4.36Å; I238-V240 PolarHBondContact O-N 2.94Å; V240-V242 HydrophobicContact CG1-CG2 4.1Å; V240-L268 HydrophobicContact CG1-CD1 4Å
241	D	95.8	Very high	92.4	Very high	25 Å²	25	47.7 Å²	47.7	13%	0.134	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	115.5	175.6	-77	-50.2	0	0	0	110.3	V214 A215 W216 Y243 R249 Y264	V214-D241 PolarHBondContact O-N 3.12Å; A215-D241 WeakPolarHBondContact CA-O 3.29Å; W216-D241 PolarHBondContact N-O 3.22Å; D241-Y243 HydrophobicContact CB-CD2 4.49Å; D241-Y243 HydrophobicContact CB-CE2 3.68Å; D241-R249 IonicContact OD1-CZ 3.82Å; D241-R249 IonicContact OD1-NH1 2.74Å; D241-R249 PolarHBondContact OD1-NH1 3.29Å; D241-Y264 HydrophobicContact CB-CE1 3.87Å; D241-Y264 WeakPolarHBondContact CB-OH 3.38Å; D241-Y264 WeakPolarHBondContact OD2-CE1 3.23Å; D241-Y264 PolarHBondContact OD2-OH 3.19Å
242	V	95.2	Very high	91.7	Very high	8 Å²	8	55 Å²	55	5%	0.048	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.2	-175.5	-172.4	0	0	0	0	111.8	W216 V218 V240 S247 L411	W216-V242 HydrophobicContact CE3-CG1 4.17Å; W216-V242 HydrophobicContact CE3-CG2 4.04Å; W216-V242 CarbonylContact O-C 3.56Å; W216-V242 WeakPolarHBondContact O-CA 3.33Å; V218-V242 HydrophobicContact CG2-CG1 4.31Å; V240-V242 HydrophobicContact CG1-CG2 4.1Å; V242-S247 WeakPolarHBondContact O-CB 3.27Å; V242-S247 PolarHBondContact O-OG 3.06Å; V242-L411 HydrophobicContact CB-CD1 4.07Å; V242-L411 HydrophobicContact CG1-CD1 4.22Å; V242-L411 HydrophobicContact CG2-CD1 4.02Å
243	Y	94.2	Very high	91	Very high	22 Å²	22	56.4 Å²	56.4	9%	0.086	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	166.3	-179	-64.6	-91.5	0	0	0	111.9	W216 I217 V218 D241 S247 R249 C251 M259 Y264	W216-Y243 PolarHBondContact O-N 3.17Å; I217-Y243 WeakPolarHBondContact CA-O 3.25Å; V218-Y243 PolarHBondContact N-O 3.04Å; D241-Y243 HydrophobicContact CB-CD2 4.49Å; D241-Y243 HydrophobicContact CB-CE2 3.68Å; Y243-S247 WeakPolarHBondContact CA-OG 3.19Å; Y243-R249 WeakPolarHBondContact CA-O 3.38Å; Y243-R249 HydrophobicContact CD1-CB 3.51Å; Y243-R249 HydrophobicContact CE1-CB 3.89Å; Y243-R249 HydrophobicContact CG-CB 4.28Å; Y243-C251 HydrophobicContact CD1-CB 4.32Å; Y243-M259 HydrophobicContact CD1-SD 4.43Å; Y243-M259 HydrophobicContact CD2-CE 3.95Å; Y243-M259 HydrophobicContact CE1-CE 4.32Å; Y243-M259 HydrophobicContact CE1-SD 3.75Å; Y243-M259 HydrophobicContact CE2-CE 3.69Å; Y243-M259 HydrophobicContact CE2-SD 3.87Å; Y243-M259 HydrophobicContact CG-CE 4.36Å; Y243-M259 PolarHBondContact OH-SD 2.86Å; Y243-Y264 HydrophobicContact CE2-CE2 4.36Å; Y243-Y264 VanDerWaalsContact CE2-OH 3.3Å; Y243-Y264 WeakPolarHBondContact CE2-OH 3.47Å; Y243-Y264 PolarHBondContact OH-OH 3.31Å
244	G	91.9	Very high	90.5	Very high	10 Å²	10	60 Å²	60	10%	0.103	30%	0.302	C	S	.	.	S	Bend	trans	95.1	-170.9	175.9	0	0	0	0	0	113.4	V218 C246 S247 R249	V218-G244 CarbonylContact O-C 3.59Å; G244-C246 PolarHBondContact O-N 3.39Å; G244-S247 CarbonylContact O-C 3.55Å; G244-S247 PolarHBondContact O-N 2.95Å; G244-S247 VanDerWaalsContact O-O 3.07Å; G244-S247 PolarHBondContact O-OG 3.11Å; G244-R249 PolarHBondContact N-O 3.4Å
245	K	90.7	Very high	90.1	Very high	157 Å²	157	67 Å²	67	68%	0.683	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.8	-169.4	-61.1	-177.8	176.1	-178.9	0	114.4	V218 S247	V218-K245 PolarHBondContact O-N 3.03Å; V218-K245 VanDerWaalsContact O-N 3.08Å; K245-S247 VanDerWaalsContact C-N 3.35Å
246	C	91.4	Very high	90	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-9.4	177.9	-53.3	0	0	0	0	113.3	V218 C221 G244 F408 K412	V218-C246 HydrophobicContact CB-CB 4.21Å; V218-C246 HydrophobicContact CG1-CB 4.25Å; V218-C246 PolarHBondContact O-N 2.99Å; C221-C246 WeakPolarHBondContact CA-SG 3.46Å; C221-C246 HydrophobicContact CB-CB 4.01Å; C221-C246 WeakPolarHBondContact CB-SG 3.48Å; C221-C246 PolarHBondContact N-SG 2.99Å; C221-C246 WeakPolarHBondContact SG-CA 3.25Å; C221-C246 WeakPolarHBondContact SG-CB 3.33Å; C221-C246 CovalentContact SG-SG 2.04Å; C221-C246 PolarHBondContact SG-SG 3.15Å; G244-C246 PolarHBondContact O-N 3.39Å; C246-F408 HydrophobicContact CB-CD1 3.72Å; C246-F408 HydrophobicContact CB-CD2 4.27Å; C246-F408 HydrophobicContact CB-CE1 3.67Å; C246-F408 HydrophobicContact CB-CE2 4.21Å; C246-F408 HydrophobicContact CB-CG 4.06Å; C246-F408 HydrophobicContact CB-CZ 3.93Å; C246-F408 WeakPolarHBondContact O-CB 3.25Å; C246-F408 VanDerWaalsContact O-CD1 3.29Å; C246-F408 WeakPolarHBondContact O-CD1 3.24Å; C246-K412 WeakPolarHBondContact O-CE 3.28Å
247	S	88	Confident	89.9	Confident	8 Å²	8	62.1 Å²	62.1	6%	0.056	31%	0.307	C	S	.	.	S	Bend	trans	-120.1	-178.5	170	76.7	0	0	0	0	111.1	V242 Y243 G244 K245 R249	V242-S247 WeakPolarHBondContact O-CB 3.27Å; V242-S247 PolarHBondContact O-OG 3.06Å; Y243-S247 WeakPolarHBondContact CA-OG 3.19Å; G244-S247 CarbonylContact O-C 3.55Å; G244-S247 PolarHBondContact O-N 2.95Å; G244-S247 VanDerWaalsContact O-O 3.07Å; G244-S247 PolarHBondContact O-OG 3.11Å; K245-S247 VanDerWaalsContact C-N 3.35Å; S247-R249 PolarHBondContact OG-N 2.66Å
248	Q	80.1	Confident	89.7	Confident	70 Å²	70	63.5 Å²	63.5	33%	0.327	32%	0.315	S	S	.	.	S	Bend	trans	-87.1	-9.1	170.1	-89.3	-176.6	23.7	0	0	112.5	E250 K412 N415 V417	Q248-E250 PolarHBondContact O-N 2.93Å; Q248-E250 VanDerWaalsContact O-N 3.09Å; Q248-K412 HydrophobicContact CB-CG 4.49Å; Q248-K412 HydrophobicContact CG-CB 3.73Å; Q248-K412 HydrophobicContact CG-CG 3.87Å; Q248-K412 PolarHBondContact NE2-O 2.88Å; Q248-K412 VanDerWaalsContact NE2-O 3.11Å; Q248-K412 PolarHBondContact OE1-O 3.43Å; Q248-N415 PolarHBondContact OE1-O 2.73Å; Q248-V417 HydrophobicContact CB-CG2 4.16Å; Q248-V417 HydrophobicContact CG-CG2 4.44Å
249	R	81.4	Confident	89.5	Confident	75 Å²	75	64.2 Å²	64.2	28%	0.283	32%	0.318	S	S	.	.			trans	-86.2	81.7	-179.8	-61.6	-177.9	179.6	177.9	2.3	109.3	D241 Y243 G244 S247 N415	D241-R249 IonicContact OD1-CZ 3.82Å; D241-R249 IonicContact OD1-NH1 2.74Å; D241-R249 PolarHBondContact OD1-NH1 3.29Å; Y243-R249 WeakPolarHBondContact CA-O 3.38Å; Y243-R249 HydrophobicContact CD1-CB 3.51Å; Y243-R249 HydrophobicContact CE1-CB 3.89Å; Y243-R249 HydrophobicContact CG-CB 4.28Å; G244-R249 PolarHBondContact N-O 3.4Å; S247-R249 PolarHBondContact OG-N 2.66Å; R249-N415 HydrophobicContact CG-CB 4.48Å; R249-N415 PolarHBondContact NE-OD1 3.05Å; R249-N415 PolarHBondContact NH2-OD1 3.45Å
250	E	78.2	Confident	89.5	Confident	170 Å²	170	59.9 Å²	59.9	79%	0.794	29%	0.292	S	S	*	.			trans	-64.6	136.3	171.6	-66.7	-165.1	168.6	0	0	110.5	Q248	Q248-E250 PolarHBondContact O-N 2.93Å; Q248-E250 VanDerWaalsContact O-N 3.09Å
251	C	81.3	Confident	89.3	Confident	26 Å²	26	63.7 Å²	63.7	18%	0.176	31%	0.307	C	S	.	.			trans	-133.5	131.8	166.8	76.3	0	0	0	0	107.8	Y243 C256	Y243-C251 HydrophobicContact CD1-CB 4.32Å; C251-C256 VanDerWaalsContact CA-SG 3.6Å; C251-C256 HydrophobicContact CB-CB 4.03Å; C251-C256 WeakPolarHBondContact CB-SG 3.06Å; C251-C256 PolarHBondContact O-SG 3.45Å; C251-C256 WeakPolarHBondContact SG-CB 3.22Å; C251-C256 CovalentContact SG-SG 2.02Å; C251-C256 PolarHBondContact SG-SG 2.69Å
252	Q	82.2	Confident	89.3	Confident	153 Å²	153	67.1 Å²	67.1	72%	0.715	32%	0.322	S	S	*	.			trans	-80.5	146.7	170.3	-65.9	176.8	-9	0	0	108.9	S254 K255 C256	Q252-S254 PolarHBondContact O-N 3.3Å; Q252-S254 VanDerWaalsContact O-N 3.16Å; Q252-K255 CarbonylContact O-C 3.53Å; Q252-K255 WeakPolarHBondContact O-CA 3.46Å; Q252-K255 WeakPolarHBondContact O-CB 3.35Å; Q252-K255 PolarHBondContact O-N 3.07Å; Q252-C256 VanDerWaalsContact C-SG 3.52Å; Q252-C256 PolarHBondContact O-N 3.44Å; Q252-C256 PolarHBondContact O-SG 2.71Å
253	D	82.2	Confident	89.3	Confident	97 Å²	97	70.2 Å²	70.2	52%	0.519	34%	0.336	S	S	.	.	H	α-helix	trans	-39.6	-59.2	-173	-90.4	28.7	0	0	0	114	K255 C256 H257 K285	D253-K255 VanDerWaalsContact C-N 3.34Å; D253-K255 PolarHBondContact O-N 3.45Å; D253-C256 WeakPolarHBondContact O-CB 3.42Å; D253-C256 PolarHBondContact O-N 2.99Å; D253-C256 VanDerWaalsContact O-N 3.16Å; D253-H257 PolarHBondContact O-N 3.07Å; D253-H257 PolarHBondContact O-ND1 2.78Å; D253-H257 VanDerWaalsContact O-ND1 3.11Å; D253-K285 IonicContact OD2-NZ 3.88Å; D253-K285 PolarHBondContact OD2-NZ 2.82Å
254	S	86.2	Confident	89.5	Confident	92 Å²	92	69.2 Å²	69.2	64%	0.643	33%	0.332	S	S	*	.	H	α-helix	trans	-61.3	-39.9	-177.5	58.5	0	0	0	0	113.1	Q252 K258	Q252-S254 PolarHBondContact O-N 3.3Å; Q252-S254 VanDerWaalsContact O-N 3.16Å; S254-K258 WeakPolarHBondContact O-CB 3.42Å; S254-K258 PolarHBondContact O-N 2.99Å
255	K	90.1	Very high	89.8	Confident	148 Å²	148	69.3 Å²	69.3	64%	0.643	33%	0.33	S	S	*	.	H	α-helix	trans	-69.5	-39.1	176.6	-172	177.4	179.6	-179	0	111.3	Q252 D253 M259	Q252-K255 CarbonylContact O-C 3.53Å; Q252-K255 WeakPolarHBondContact O-CA 3.46Å; Q252-K255 WeakPolarHBondContact O-CB 3.35Å; Q252-K255 PolarHBondContact O-N 3.07Å; D253-K255 VanDerWaalsContact C-N 3.34Å; D253-K255 PolarHBondContact O-N 3.45Å; K255-M259 VanDerWaalsContact O-CB 3.23Å; K255-M259 WeakPolarHBondContact O-CB 3.43Å; K255-M259 PolarHBondContact O-N 2.86Å
256	C	92.6	Very high	90.2	Very high	4 Å²	4	61.9 Å²	61.9	3%	0.027	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-48.7	174.4	-50.8	0	0	0	0	110.5	I217 C251 Q252 D253 K258 M259 L260	I217-C256 HydrophobicContact CD1-CB 3.7Å; C251-C256 VanDerWaalsContact CA-SG 3.6Å; C251-C256 HydrophobicContact CB-CB 4.03Å; C251-C256 WeakPolarHBondContact CB-SG 3.06Å; C251-C256 PolarHBondContact O-SG 3.45Å; C251-C256 WeakPolarHBondContact SG-CB 3.22Å; C251-C256 CovalentContact SG-SG 2.02Å; C251-C256 PolarHBondContact SG-SG 2.69Å; Q252-C256 VanDerWaalsContact C-SG 3.52Å; Q252-C256 PolarHBondContact O-N 3.44Å; Q252-C256 PolarHBondContact O-SG 2.71Å; D253-C256 WeakPolarHBondContact O-CB 3.42Å; D253-C256 PolarHBondContact O-N 2.99Å; D253-C256 VanDerWaalsContact O-N 3.16Å; C256-K258 PolarHBondContact O-N 2.92Å; C256-M259 WeakPolarHBondContact O-CB 3.29Å; C256-M259 PolarHBondContact O-N 3.41Å; C256-L260 VanDerWaalsContact O-CG 3.3Å; C256-L260 WeakPolarHBondContact O-CG 3.24Å; C256-L260 PolarHBondContact O-N 2.75Å
257	H	94.6	Very high	90.5	Very high	26 Å²	26	61.9 Å²	61.9	12%	0.12	30%	0.297	C	S	.	.	H	α-helix	trans	-62.7	-44.9	-177.7	-64	144.5	0	0	0	111.6	D253 M259 L260 K261 K285 N286 N290	D253-H257 PolarHBondContact O-N 3.07Å; D253-H257 PolarHBondContact O-ND1 2.78Å; D253-H257 VanDerWaalsContact O-ND1 3.11Å; H257-M259 PolarHBondContact O-N 3.01Å; H257-L260 PolarHBondContact O-N 2.79Å; H257-K261 VanDerWaalsContact O-CB 3.32Å; H257-K261 WeakPolarHBondContact O-CB 3.02Å; H257-K261 PolarHBondContact O-N 2.72Å; H257-K285 WeakPolarHBondContact CE1-CE 3.46Å; H257-N286 PolarHBondContact NE2-OD1 3.45Å; H257-N290 PolarHBondContact CD2-ND2 3.45Å
258	K	94.1	Very high	91	Very high	126 Å²	126	61.5 Å²	61.5	55%	0.548	30%	0.295	S	S	.	.	H	α-helix	trans	-58.3	-47.7	172.8	-174.4	178.2	-179.3	-178.2	0	111.7	S254 C256 L260 K261 E262	S254-K258 WeakPolarHBondContact O-CB 3.42Å; S254-K258 PolarHBondContact O-N 2.99Å; C256-K258 PolarHBondContact O-N 2.92Å; K258-L260 PolarHBondContact O-N 2.88Å; K258-K261 PolarHBondContact O-N 3.16Å; K258-E262 WeakPolarHBondContact CE-OE1 3.16Å; K258-E262 VanDerWaalsContact CE-OE2 3.23Å; K258-E262 WeakPolarHBondContact CE-OE2 3.21Å; K258-E262 VanDerWaalsContact CG-CD 3.5Å; K258-E262 HydrophobicContact CG-CG 4.34Å; K258-E262 WeakPolarHBondContact CG-OE1 3.17Å; K258-E262 IonicContact NZ-OE1 2.66Å; K258-E262 WeakPolarHBondContact O-CB 3.5Å; K258-E262 WeakPolarHBondContact O-CG 3.37Å; K258-E262 PolarHBondContact O-N 3.11Å
259	M	94.6	Very high	91.9	Very high	23 Å²	23	58.2 Å²	58.2	11%	0.113	28%	0.279	C	S	.	.	H	α-helix	trans	-60.8	-45.2	178.4	178.5	-158.6	69.8	0	0	112.3	Y243 K255 C256 H257 K261 E262 Q263 Y264	Y243-M259 HydrophobicContact CD1-SD 4.43Å; Y243-M259 HydrophobicContact CD2-CE 3.95Å; Y243-M259 HydrophobicContact CE1-CE 4.32Å; Y243-M259 HydrophobicContact CE1-SD 3.75Å; Y243-M259 HydrophobicContact CE2-CE 3.69Å; Y243-M259 HydrophobicContact CE2-SD 3.87Å; Y243-M259 HydrophobicContact CG-CE 4.36Å; Y243-M259 PolarHBondContact OH-SD 2.86Å; K255-M259 VanDerWaalsContact O-CB 3.23Å; K255-M259 WeakPolarHBondContact O-CB 3.43Å; K255-M259 PolarHBondContact O-N 2.86Å; C256-M259 WeakPolarHBondContact O-CB 3.29Å; C256-M259 PolarHBondContact O-N 3.41Å; H257-M259 PolarHBondContact O-N 3.01Å; M259-K261 VanDerWaalsContact C-N 3.34Å; M259-E262 PolarHBondContact O-N 3.34Å; M259-Q263 HydrophobicContact CG-CG 4.45Å; M259-Q263 VanDerWaalsContact O-CB 3.27Å; M259-Q263 WeakPolarHBondContact O-CB 3.34Å; M259-Q263 PolarHBondContact O-N 3.14Å; M259-Y264 HydrophobicContact CE-CD2 4.23Å; M259-Y264 HydrophobicContact CE-CE2 3.69Å; M259-Y264 HydrophobicContact CG-CD2 4.25Å; M259-Y264 HydrophobicContact CG-CE2 3.76Å; M259-Y264 HydrophobicContact SD-CE2 3.78Å
260	L	96.5	Very high	92.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58	-50	174.6	-69.6	176.1	0	0	0	110.2	K210 A215 I217 C256 H257 K258 E262 Y264 Y267 N286 N290 V292	K210-L260 PolarHBondContact NZ-O 3.46Å; K210-L260 VanDerWaalsContact NZ-O 3.08Å; A215-L260 HydrophobicContact CB-CD2 3.43Å; A215-L260 VanDerWaalsContact CB-CD2 3.43Å; I217-L260 HydrophobicContact CD1-CD1 3.81Å; I217-L260 HydrophobicContact CD1-CG 4.32Å; C256-L260 VanDerWaalsContact O-CG 3.3Å; C256-L260 WeakPolarHBondContact O-CG 3.24Å; C256-L260 PolarHBondContact O-N 2.75Å; H257-L260 PolarHBondContact O-N 2.79Å; K258-L260 PolarHBondContact O-N 2.88Å; L260-E262 VanDerWaalsContact C-N 3.33Å; L260-E262 PolarHBondContact O-N 3.09Å; L260-Y264 HydrophobicContact CD2-CD2 4.24Å; L260-Y264 PolarHBondContact O-N 3.22Å; L260-Y267 HydrophobicContact CD1-CD2 3.89Å; L260-Y267 HydrophobicContact CD1-CE2 4.05Å; L260-Y267 HydrophobicContact CD1-CG 4.42Å; L260-Y267 HydrophobicContact CD2-CD2 3.56Å; L260-Y267 HydrophobicContact CD2-CE2 4.23Å; L260-Y267 HydrophobicContact CD2-CG 4.33Å; L260-Y267 HydrophobicContact CG-CD2 4.4Å; L260-N286 HydrophobicContact CD1-CB 4.31Å; L260-N286 WeakPolarHBondContact CD1-O 3.07Å; L260-N290 HydrophobicContact CB-CB 4.31Å; L260-V292 HydrophobicContact CB-CG1 4.19Å; L260-V292 WeakPolarHBondContact O-CG1 3.38Å
261	K	95.3	Very high	93.7	Very high	98 Å²	98	46.5 Å²	46.5	43%	0.426	23%	0.228	S	C	.	.	H	α-helix	trans	-60.9	-37.3	-179.7	-172.4	172.9	-179	171	0	114.1	K210 H257 K258 M259 N290 D291	K210-K261 WeakPolarHBondContact CE-O 3.48Å; K210-K261 PolarHBondContact NZ-O 3.35Å; H257-K261 VanDerWaalsContact O-CB 3.32Å; H257-K261 WeakPolarHBondContact O-CB 3.02Å; H257-K261 PolarHBondContact O-N 2.72Å; K258-K261 PolarHBondContact O-N 3.16Å; M259-K261 VanDerWaalsContact C-N 3.34Å; K261-N290 WeakPolarHBondContact CA-O 3.46Å; K261-N290 HydrophobicContact CB-CB 4.12Å; K261-D291 VanDerWaalsContact CE-OD2 3.22Å; K261-D291 WeakPolarHBondContact CE-OD2 3.26Å; K261-D291 HydrophobicContact CG-CB 4.37Å
262	E	94.7	Very high	94.5	Very high	97 Å²	97	46 Å²	46	45%	0.453	22%	0.223	S	C	.	.	H	α-helix	trans	-94.9	-29.1	-174	-68	174.1	177.4	0	0	113.3	L209 K258 M259 L260	L209-E262 VanDerWaalsContact O-O 3.06Å; K258-E262 WeakPolarHBondContact CE-OE1 3.16Å; K258-E262 VanDerWaalsContact CE-OE2 3.23Å; K258-E262 WeakPolarHBondContact CE-OE2 3.21Å; K258-E262 VanDerWaalsContact CG-CD 3.5Å; K258-E262 HydrophobicContact CG-CG 4.34Å; K258-E262 WeakPolarHBondContact CG-OE1 3.17Å; K258-E262 IonicContact NZ-OE1 2.66Å; K258-E262 WeakPolarHBondContact O-CB 3.5Å; K258-E262 WeakPolarHBondContact O-CG 3.37Å; K258-E262 PolarHBondContact O-N 3.11Å; M259-E262 PolarHBondContact O-N 3.34Å; L260-E262 VanDerWaalsContact C-N 3.33Å; L260-E262 PolarHBondContact O-N 3.09Å
263	Q	95.5	Very high	95.2	Very high	73 Å²	73	38.8 Å²	38.8	34%	0.341	19%	0.19	S	C	.	.	H	α-helix	trans	-114.6	-35.6	-165.2	-55.4	-172.3	-16.4	0	0	114.5	K211 K212 M259	K211-Q263 PolarHBondContact N-O 3.49Å; K212-Q263 WeakPolarHBondContact CB-O 3.36Å; K212-Q263 HydrophobicContact CD-CB 4.28Å; K212-Q263 PolarHBondContact N-O 3.01Å; M259-Q263 HydrophobicContact CG-CG 4.45Å; M259-Q263 VanDerWaalsContact O-CB 3.27Å; M259-Q263 WeakPolarHBondContact O-CB 3.34Å; M259-Q263 PolarHBondContact O-N 3.14Å
264	Y	97.8	Very high	96	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	147.1	-167.9	-70.1	-85.9	0	0	0	112.8	K210 K212 A215 D241 Y243 M259 L260 V292	K210-Y264 VanDerWaalsContact CD-O 3.22Å; K210-Y264 WeakPolarHBondContact CD-O 3.18Å; K210-Y264 WeakPolarHBondContact CE-O 3.46Å; K210-Y264 WeakPolarHBondContact CG-O 3.14Å; K210-Y264 PolarHBondContact NZ-O 3.34Å; K212-Y264 HydrophobicContact CB-CD1 3.47Å; K212-Y264 VanDerWaalsContact CB-CD1 3.47Å; K212-Y264 HydrophobicContact CB-CE1 3.45Å; K212-Y264 VanDerWaalsContact CB-CE1 3.45Å; K212-Y264 HydrophobicContact CB-CG 4.1Å; K212-Y264 HydrophobicContact CD-CD1 4.32Å; K212-Y264 HydrophobicContact CD-CE1 3.58Å; K212-Y264 HydrophobicContact CD-CE2 3.89Å; K212-Y264 WeakPolarHBondContact CD-OH 3.5Å; K212-Y264 HydrophobicContact CG-CE1 4.2Å; K212-Y264 PolarHBondContact NZ-OH 3.23Å; K212-Y264 CarbonylContact O-C 3.57Å; K212-Y264 WeakPolarHBondContact O-CA 3.36Å; A215-Y264 HydrophobicContact CB-CD1 3.55Å; A215-Y264 HydrophobicContact CB-CD2 3.82Å; A215-Y264 HydrophobicContact CB-CE1 3.72Å; A215-Y264 HydrophobicContact CB-CE2 3.96Å; A215-Y264 HydrophobicContact CB-CG 3.59Å; D241-Y264 HydrophobicContact CB-CE1 3.87Å; D241-Y264 WeakPolarHBondContact CB-OH 3.38Å; D241-Y264 WeakPolarHBondContact OD2-CE1 3.23Å; D241-Y264 PolarHBondContact OD2-OH 3.19Å; Y243-Y264 HydrophobicContact CE2-CE2 4.36Å; Y243-Y264 VanDerWaalsContact CE2-OH 3.3Å; Y243-Y264 WeakPolarHBondContact CE2-OH 3.47Å; Y243-Y264 PolarHBondContact OH-OH 3.31Å; M259-Y264 HydrophobicContact CE-CD2 4.23Å; M259-Y264 HydrophobicContact CE-CE2 3.69Å; M259-Y264 HydrophobicContact CG-CD2 4.25Å; M259-Y264 HydrophobicContact CG-CE2 3.76Å; M259-Y264 HydrophobicContact SD-CE2 3.78Å; L260-Y264 HydrophobicContact CD2-CD2 4.24Å; L260-Y264 PolarHBondContact O-N 3.22Å; Y264-V292 VanDerWaalsContact O-CG1 3.3Å; Y264-V292 WeakPolarHBondContact O-CG1 3.36Å
265	K	98.4	Very high	96.5	Very high	13 Å²	13	30.7 Å²	30.7	6%	0.057	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-42	171.9	-73.7	-174.1	-173.8	169.6	0	111.8	K210 K212 T213 I293 D333 F339	K210-K265 HydrophobicContact CB-CD 4.43Å; K210-K265 HydrophobicContact CB-CG 3.5Å; K210-K265 HydrophobicContact CG-CG 4.02Å; K212-K265 PolarHBondContact O-N 3.28Å; T213-K265 PolarHBondContact O-N 3.1Å; K265-I293 PolarHBondContact O-N 3.17Å; K265-D333 WeakPolarHBondContact CD-OD1 3.36Å; K265-D333 VanDerWaalsContact CE-OD1 3.3Å; K265-D333 WeakPolarHBondContact CE-OD1 3.47Å; K265-D333 PolarHBondContact NZ-O 3.1Å; K265-D333 IonicContact NZ-OD1 3.64Å; K265-D333 PolarHBondContact NZ-OD1 3.44Å; K265-F339 HydrophobicContact CB-CD2 4.28Å; K265-F339 HydrophobicContact CB-CE2 3.48Å; K265-F339 VanDerWaalsContact CB-CE2 3.48Å; K265-F339 HydrophobicContact CB-CZ 3.96Å; K265-F339 HydrophobicContact CD-CD2 4.31Å; K265-F339 HydrophobicContact CD-CE2 4.18Å; K265-F339 HydrophobicContact CG-CD2 4.38Å; K265-F339 HydrophobicContact CG-CE2 3.76Å; K265-F339 HydrophobicContact CG-CZ 3.93Å
266	F	98.8	Very high	96.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145.7	-174.9	-45.3	-74.7	0	0	0	111.4	T213 V214 A215 I293 V295 L329 L332 D333 F339	T213-F266 WeakPolarHBondContact O-CD2 3.41Å; T213-F266 PolarHBondContact O-N 3.45Å; V214-F266 WeakPolarHBondContact CA-O 3.37Å; V214-F266 HydrophobicContact CG2-CB 4.14Å; V214-F266 HydrophobicContact CG2-CD2 4.04Å; V214-F266 HydrophobicContact CG2-CG 4.5Å; A215-F266 PolarHBondContact N-O 2.75Å; F266-I293 WeakPolarHBondContact CA-O 3.18Å; F266-I293 HydrophobicContact CD1-CB 3.98Å; F266-I293 HydrophobicContact CD1-CD1 4.35Å; F266-I293 HydrophobicContact CD1-CG2 4.48Å; F266-I293 HydrophobicContact CE1-CB 4.48Å; F266-I293 HydrophobicContact CE1-CD1 3.99Å; F266-V295 HydrophobicContact CB-CG2 4.13Å; F266-L329 HydrophobicContact CD1-CD2 3.72Å; F266-L329 HydrophobicContact CD2-CB 4.4Å; F266-L329 HydrophobicContact CD2-CD2 4.34Å; F266-L329 HydrophobicContact CE1-CD2 3.8Å; F266-L329 HydrophobicContact CE2-CB 4.09Å; F266-L329 HydrophobicContact CE2-CD2 4.41Å; F266-L329 HydrophobicContact CG-CD2 4.03Å; F266-L329 HydrophobicContact CZ-CB 4.31Å; F266-L329 HydrophobicContact CZ-CD2 4.16Å; F266-L329 WeakPolarHBondContact CZ-O 3.25Å; F266-L332 HydrophobicContact CE1-CB 4Å; F266-L332 HydrophobicContact CE1-CD1 3.93Å; F266-L332 HydrophobicContact CZ-CB 3.7Å; F266-L332 HydrophobicContact CZ-CD1 4.44Å; F266-D333 HydrophobicContact CE2-CB 4.42Å; F266-F339 HydrophobicContact CE1-CD2 4.26Å; F266-F339 HydrophobicContact CE1-CE2 4.27Å; F266-F339 HydrophobicContact CZ-CD2 4.34Å
267	Y	98.7	Very high	97.2	Very high	1 Å²	1	27 Å²	27	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	129.9	171.9	176.4	-102.2	0	0	0	110.2	A215 I217 L260 S269 K282 N286 A287 I293 V295	A215-Y267 HydrophobicContact CB-CD2 4.27Å; A215-Y267 WeakPolarHBondContact O-CA 3.44Å; A215-Y267 WeakPolarHBondContact O-CD2 3.3Å; I217-Y267 HydrophobicContact CB-CE2 4.09Å; I217-Y267 HydrophobicContact CD1-CE2 3.82Å; I217-Y267 HydrophobicContact CG1-CE2 3.88Å; L260-Y267 HydrophobicContact CD1-CD2 3.89Å; L260-Y267 HydrophobicContact CD1-CE2 4.05Å; L260-Y267 HydrophobicContact CD1-CG 4.42Å; L260-Y267 HydrophobicContact CD2-CD2 3.56Å; L260-Y267 HydrophobicContact CD2-CE2 4.23Å; L260-Y267 HydrophobicContact CD2-CG 4.33Å; L260-Y267 HydrophobicContact CG-CD2 4.4Å; Y267-S269 VanDerWaalsContact CD1-OG 3.27Å; Y267-S269 WeakPolarHBondContact CD1-OG 3.34Å; Y267-S269 PolarHBondContact O-N 2.93Å; Y267-K282 HydrophobicContact CE1-CB 4.41Å; Y267-K282 WeakPolarHBondContact CE1-O 3.28Å; Y267-N286 HydrophobicContact CD1-CB 4.18Å; Y267-N286 HydrophobicContact CE1-CB 3.57Å; Y267-N286 HydrophobicContact CE2-CB 4.48Å; Y267-N286 PolarHBondContact OH-ND2 3.39Å; Y267-A287 HydrophobicContact CD1-CB 4Å; Y267-I293 PolarHBondContact N-O 3.36Å; Y267-V295 PolarHBondContact O-N 2.78Å
268	L	98.9	Very high	97.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	94	174.9	-58.1	-170.9	0	0	0	109.7	V214 A215 W216 A231 L234 V240 F270 V295	V214-L268 HydrophobicContact CG1-CD1 4.1Å; V214-L268 HydrophobicContact CG1-CD2 3.58Å; V214-L268 HydrophobicContact CG1-CG 3.53Å; A215-L268 PolarHBondContact O-N 3.31Å; W216-L268 HydrophobicContact CB-CB 4.01Å; W216-L268 HydrophobicContact CB-CD1 3.94Å; W216-L268 HydrophobicContact CB-CG 4.16Å; W216-L268 VanDerWaalsContact CD1-CB 3.47Å; W216-L268 VanDerWaalsContact CD1-O 3.26Å; W216-L268 HydrophobicContact CD2-CD1 4.2Å; W216-L268 HydrophobicContact CG-CB 3.77Å; W216-L268 HydrophobicContact CG-CD1 3.91Å; W216-L268 HydrophobicContact CG-CG 4.27Å; A231-L268 HydrophobicContact CB-CD1 4.12Å; L234-L268 HydrophobicContact CD2-CD1 4.2Å; L234-L268 HydrophobicContact CD2-CD2 3.9Å; V240-L268 HydrophobicContact CG1-CD1 4Å; L268-F270 HydrophobicContact CB-CD1 4.19Å; L268-F270 HydrophobicContact CB-CD2 4.23Å; L268-F270 HydrophobicContact CB-CE1 4.26Å; L268-F270 HydrophobicContact CB-CE2 4.31Å; L268-F270 HydrophobicContact CB-CG 4.19Å; L268-F270 HydrophobicContact CB-CZ 4.33Å; L268-F270 HydrophobicContact CD1-CD2 4.29Å; L268-F270 HydrophobicContact CD1-CE2 3.81Å; L268-F270 HydrophobicContact CD1-CZ 4.12Å; L268-F270 HydrophobicContact CD2-CE1 4.1Å; L268-F270 HydrophobicContact CD2-CE2 4.38Å; L268-F270 HydrophobicContact CD2-CZ 3.85Å; L268-F270 HydrophobicContact CG-CE2 4.38Å; L268-F270 HydrophobicContact CG-CZ 4.31Å; L268-F270 PolarHBondContact O-N 3.41Å; L268-V295 CarbonylContact C-O 3.6Å; L268-V295 HydrophobicContact CD2-CB 3.84Å; L268-V295 HydrophobicContact CD2-CG1 4.01Å; L268-V295 HydrophobicContact CD2-CG2 4.43Å
269	S	98.8	Very high	97.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	50.9	173.1	-62.2	0	0	0	0	111.1	Y267 K282 V295	Y267-S269 VanDerWaalsContact CD1-OG 3.27Å; Y267-S269 WeakPolarHBondContact CD1-OG 3.34Å; Y267-S269 PolarHBondContact O-N 2.93Å; S269-K282 PolarHBondContact OG-O 3.5Å; S269-V295 PolarHBondContact N-O 3.04Å
270	F	98.7	Very high	97.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	119.3	-176.4	-67.3	-6.2	0	0	0	112	W216 R227 Y230 A231 L268 K282 V295 M297 V316	W216-F270 HydrophobicContact CZ2-CD2 4.46Å; R227-F270 HydrophobicContact CB-CB 3.75Å; R227-F270 HydrophobicContact CB-CD2 3.86Å; R227-F270 HydrophobicContact CB-CG 4.2Å; R227-F270 PolarHBondContact NH1-O 2.9Å; R227-F270 VanDerWaalsContact NH1-O 3.12Å; Y230-F270 AromaticContact CD1-CE2 3.87Å; Y230-F270 HydrophobicContact CD1-CE2 3.87Å; Y230-F270 AromaticContact CD1-CZ 3.77Å; Y230-F270 HydrophobicContact CD1-CZ 3.77Å; Y230-F270 HydrophobicContact CE1-CZ 4.14Å; A231-F270 HydrophobicContact CB-CD2 4.46Å; A231-F270 HydrophobicContact CB-CE2 4.17Å; L268-F270 HydrophobicContact CB-CD1 4.19Å; L268-F270 HydrophobicContact CB-CD2 4.23Å; L268-F270 HydrophobicContact CB-CE1 4.26Å; L268-F270 HydrophobicContact CB-CE2 4.31Å; L268-F270 HydrophobicContact CB-CG 4.19Å; L268-F270 HydrophobicContact CB-CZ 4.33Å; L268-F270 HydrophobicContact CD1-CD2 4.29Å; L268-F270 HydrophobicContact CD1-CE2 3.81Å; L268-F270 HydrophobicContact CD1-CZ 4.12Å; L268-F270 HydrophobicContact CD2-CE1 4.1Å; L268-F270 HydrophobicContact CD2-CE2 4.38Å; L268-F270 HydrophobicContact CD2-CZ 3.85Å; L268-F270 HydrophobicContact CG-CE2 4.38Å; L268-F270 HydrophobicContact CG-CZ 4.31Å; L268-F270 PolarHBondContact O-N 3.41Å; F270-K282 WeakPolarHBondContact O-CD 3Å; F270-V295 WeakPolarHBondContact CD1-O 3.43Å; F270-V295 HydrophobicContact CE1-CG1 4.13Å; F270-V295 WeakPolarHBondContact CE1-O 3.41Å; F270-M297 HydrophobicContact CB-CB 4.27Å; F270-M297 HydrophobicContact CD1-CB 3.42Å; F270-M297 VanDerWaalsContact CD1-CB 3.42Å; F270-M297 HydrophobicContact CD2-CE 4.26Å; F270-M297 HydrophobicContact CE1-CB 3.84Å; F270-M297 HydrophobicContact CE1-CE 4.37Å; F270-M297 HydrophobicContact CE2-CE 4.05Å; F270-M297 HydrophobicContact CG-CB 3.91Å; F270-M297 HydrophobicContact CG-SD 4.48Å; F270-M297 HydrophobicContact CZ-CE 4.1Å; F270-V316 HydrophobicContact CE1-CG1 3.68Å; F270-V316 HydrophobicContact CZ-CG1 3.88Å
271	E	98.5	Very high	97.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.102	C	C	.	.			trans	-74.7	155.4	-176.7	-63.3	-61.4	176	0	0	113.4	S225 R227 S273 Y278 T280 K282 M297	S225-E271 WeakPolarHBondContact CB-O 3.4Å; S225-E271 PolarHBondContact OG-O 3.01Å; R227-E271 WeakPolarHBondContact CD-O 3.06Å; E271-S273 PolarHBondContact O-N 2.77Å; E271-Y278 HydrophobicContact CB-CD1 4.08Å; E271-Y278 HydrophobicContact CB-CE1 4.16Å; E271-Y278 HydrophobicContact CG-CD1 4.33Å; E271-T280 WeakPolarHBondContact OE1-CB 3.22Å; E271-T280 PolarHBondContact OE1-N 2.85Å; E271-T280 PolarHBondContact OE1-OG1 3.21Å; E271-T280 WeakPolarHBondContact OE2-CG2 3.07Å; E271-T280 PolarHBondContact OE2-OG1 3.18Å; E271-K282 IonicContact OE2-NZ 3.98Å; E271-K282 PolarHBondContact OE2-NZ 3.23Å; E271-M297 WeakPolarHBondContact CB-O 3.44Å; E271-M297 PolarHBondContact N-O 3.3Å
272	N	97.2	Very high	97.9	Very high	14 Å²	14	18 Å²	18	8%	0.075	9%	0.086	C	C	.	.	S	Bend	trans	-65.5	-28.3	-179.8	-65.6	-43.6	0	0	0	112.4	H144 P223 D224 S225 R227	H144-N272 WeakPolarHBondContact NE2-CB 3.43Å; P223-N272 WeakPolarHBondContact CB-O 3.34Å; D224-N272 PolarHBondContact N-O 3.46Å; D224-N272 VanDerWaalsContact N-O 3.16Å; S225-N272 WeakPolarHBondContact CB-O 3.15Å; S225-N272 PolarHBondContact N-O 3.32Å; S225-N272 PolarHBondContact OG-O 3.16Å; R227-N272 PolarHBondContact NH1-OD1 2.82Å; R227-N272 PolarHBondContact NH2-OD1 3.39Å
273	S	97.6	Very high	98.1	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.014	6%	0.064	C	C	.	.	S	Bend	trans	-143.5	147.6	-176.1	-46.4	0	0	0	0	109.8	E271 C275	E271-S273 PolarHBondContact O-N 2.77Å; S273-C275 WeakPolarHBondContact CB-SG 3.35Å; S273-C275 PolarHBondContact O-N 3.47Å
274	L	97.8	Very high	98.3	Very high	19 Å²	19	10.1 Å²	10.1	10%	0.099	5%	0.049	C	C	.	.			trans	-88.3	82.7	174.1	-55.3	-175.7	0	0	0	108.8	P226 M297 R391 L393	P226-L274 HydrophobicContact CG-CD1 4.27Å; L274-M297 HydrophobicContact CD2-CG 3.82Å; L274-M297 HydrophobicContact CD2-SD 4.45Å; L274-R391 HydrophobicContact CB-CB 4.19Å; L274-R391 WeakPolarHBondContact O-CB 3.46Å; L274-R391 WeakPolarHBondContact O-CD 3.32Å; L274-L393 HydrophobicContact CD1-CD2 3.98Å; L274-L393 HydrophobicContact CD1-CG 4.17Å; L274-L393 HydrophobicContact CD2-CD2 4.2Å
275	C	98.2	Very high	98.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.062	C	C	.	.			trans	-123.9	151	-176.2	-51.5	0	0	0	0	111.3	S273 D277 Y278 S387 C388	S273-C275 WeakPolarHBondContact CB-SG 3.35Å; S273-C275 PolarHBondContact O-N 3.47Å; C275-D277 PolarHBondContact O-N 3.28Å; C275-Y278 PolarHBondContact O-N 2.77Å; C275-S387 CarbonylContact C-O 3.48Å; C275-S387 WeakPolarHBondContact CA-O 3.19Å; C275-C388 HydrophobicContact CB-CB 4.08Å; C275-C388 WeakPolarHBondContact CB-SG 3.35Å; C275-C388 WeakPolarHBondContact SG-CB 3.42Å; C275-C388 CovalentContact SG-SG 2.04Å; C275-C388 PolarHBondContact SG-SG 2.92Å
276	Q	98.1	Very high	98.2	Very high	57 Å²	57	13.3 Å²	13.3	27%	0.266	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	135.6	175.3	-173.6	-162.3	-41.6	0	0	109.9	Y161 Y278 E303 S387	Y161-Q276 VanDerWaalsContact CE2-O 3.28Å; Y161-Q276 WeakPolarHBondContact CE2-O 3.42Å; Q276-Y278 PolarHBondContact O-N 3.14Å; Q276-E303 WeakPolarHBondContact CA-OE1 3.43Å; Q276-E303 WeakPolarHBondContact CG-OE1 3.26Å; Q276-S387 PolarHBondContact N-O 2.85Å
277	D	98.1	Very high	98.2	Very high	19 Å²	19	13.3 Å²	13.3	10%	0.102	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	-1.6	177.9	-51.2	-38.1	0	0	0	117	Y161 L163 C275 I279 E303	Y161-D277 HydrophobicContact CD2-CB 4.23Å; Y161-D277 HydrophobicContact CE2-CB 4.45Å; L163-D277 WeakPolarHBondContact CD1-OD1 3.36Å; L163-D277 HydrophobicContact CG-CB 4.44Å; L163-D277 PolarHBondContact N-OD2 2.79Å; L163-D277 VanDerWaalsContact N-OD2 3.11Å; C275-D277 PolarHBondContact O-N 3.28Å; D277-I279 PolarHBondContact O-N 3.16Å; D277-E303 PolarHBondContact N-OE1 2.91Å
278	Y	98.5	Very high	98.1	Very high	1 Å²	1	13.5 Å²	13.5	0%	0.004	6%	0.064	C	C	.	.			trans	-78.6	92.2	-175.2	-173.6	-111.6	0	0	0	111.4	E140 A141 Y161 Y171 E271 C275 Q276 T280	E140-Y278 PolarHBondContact OE2-OH 3.11Å; A141-Y278 HydrophobicContact CB-CD1 4.01Å; A141-Y278 HydrophobicContact CB-CD2 3.96Å; A141-Y278 HydrophobicContact CB-CE1 3.93Å; A141-Y278 HydrophobicContact CB-CE2 3.87Å; A141-Y278 HydrophobicContact CB-CG 4.02Å; Y161-Y278 AromaticContact CD1-CD2 3.73Å; Y161-Y278 HydrophobicContact CD1-CD2 3.73Å; Y161-Y278 HydrophobicContact CD1-CE2 4.29Å; Y161-Y278 HydrophobicContact CD2-CD2 4.13Å; Y161-Y278 AromaticContact CE1-CD2 3.5Å; Y161-Y278 HydrophobicContact CE1-CD2 3.5Å; Y161-Y278 HydrophobicContact CE1-CE2 4.14Å; Y161-Y278 HydrophobicContact CE1-CG 4.42Å; Y161-Y278 AromaticContact CE2-CD2 3.96Å; Y161-Y278 HydrophobicContact CE2-CD2 3.96Å; Y161-Y278 HydrophobicContact CE2-CG 4.24Å; Y161-Y278 HydrophobicContact CG-CD2 4.03Å; Y161-Y278 AromaticContact CZ-CD2 3.63Å; Y171-Y278 HydrophobicContact CE2-CE2 4.27Å; E271-Y278 HydrophobicContact CB-CD1 4.08Å; E271-Y278 HydrophobicContact CB-CE1 4.16Å; E271-Y278 HydrophobicContact CG-CD1 4.33Å; C275-Y278 PolarHBondContact O-N 2.77Å; Q276-Y278 PolarHBondContact O-N 3.14Å; Y278-T280 HydrophobicContact CD1-CG2 4.14Å; Y278-T280 HydrophobicContact CD2-CG2 4.13Å; Y278-T280 HydrophobicContact CE1-CG2 3.65Å; Y278-T280 HydrophobicContact CE2-CG2 3.66Å; Y278-T280 HydrophobicContact CG-CG2 4.38Å; Y278-T280 VanDerWaalsContact CZ-CG2 3.41Å
279	I	98.6	Very high	98	Very high	10 Å²	10	17.6 Å²	17.6	5%	0.051	8%	0.084	C	C	.	.			trans	-128.5	119.8	179.4	-57.9	171	0	0	0	108.5	D277 F283 F284 A299 Y304 V307	D277-I279 PolarHBondContact O-N 3.16Å; I279-F283 HydrophobicContact CG2-CB 3.69Å; I279-F283 HydrophobicContact CG2-CD1 3.56Å; I279-F283 HydrophobicContact CG2-CE1 4.44Å; I279-F283 HydrophobicContact CG2-CG 3.79Å; I279-F284 HydrophobicContact CB-CE2 4.32Å; I279-F284 HydrophobicContact CG2-CD2 4.42Å; I279-F284 HydrophobicContact CG2-CE2 3.65Å; I279-F284 HydrophobicContact CG2-CZ 3.97Å; I279-A299 HydrophobicContact CD1-CB 4.15Å; I279-A299 HydrophobicContact CG1-CB 3.91Å; I279-Y304 HydrophobicContact CB-CE1 4.29Å; I279-Y304 HydrophobicContact CD1-CD1 3.68Å; I279-Y304 HydrophobicContact CD1-CD2 4.38Å; I279-Y304 HydrophobicContact CD1-CE1 3.91Å; I279-Y304 HydrophobicContact CD1-CG 3.93Å; I279-Y304 HydrophobicContact CG1-CD1 4.07Å; I279-Y304 HydrophobicContact CG1-CE1 3.74Å; I279-Y304 HydrophobicContact CG1-CE2 4.42Å; I279-Y304 HydrophobicContact CG2-CD1 4.14Å; I279-Y304 HydrophobicContact CG2-CE1 3.64Å; I279-V307 HydrophobicContact CD1-CG2 3.54Å
280	T	98.3	Very high	97.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.089	C	C	.	.			trans	-114.1	-171	-161.6	73.2	0	0	0	0	114.2	Y171 E271 Y278 K282 F283 F284	Y171-T280 HydrophobicContact CD2-CG2 4.13Å; Y171-T280 HydrophobicContact CE2-CG2 3.89Å; E271-T280 WeakPolarHBondContact OE1-CB 3.22Å; E271-T280 PolarHBondContact OE1-N 2.85Å; E271-T280 PolarHBondContact OE1-OG1 3.21Å; E271-T280 WeakPolarHBondContact OE2-CG2 3.07Å; E271-T280 PolarHBondContact OE2-OG1 3.18Å; Y278-T280 HydrophobicContact CD1-CG2 4.14Å; Y278-T280 HydrophobicContact CD2-CG2 4.13Å; Y278-T280 HydrophobicContact CE1-CG2 3.65Å; Y278-T280 HydrophobicContact CE2-CG2 3.66Å; Y278-T280 HydrophobicContact CG-CG2 4.38Å; Y278-T280 VanDerWaalsContact CZ-CG2 3.41Å; T280-K282 PolarHBondContact O-N 3.5Å; T280-K282 VanDerWaalsContact O-N 3.09Å; T280-K282 PolarHBondContact OG1-N 2.93Å; T280-K282 PolarHBondContact OG1-NZ 2.63Å; T280-F283 PolarHBondContact O-N 2.69Å; T280-F284 VanDerWaalsContact O-CD2 3.24Å; T280-F284 WeakPolarHBondContact O-CD2 3.21Å; T280-F284 PolarHBondContact O-N 3.4Å
281	E	97.4	Very high	97.7	Very high	53 Å²	53	19.1 Å²	19.1	25%	0.248	9%	0.093	C	C	.	.	H	α-helix	trans	-55.3	-23.6	172.1	78.2	-65.2	150.8	0	0	113.2	Y171 F283 K285 N286	Y171-E281 HydrophobicContact CD1-CB 4.48Å; Y171-E281 WeakPolarHBondContact CE1-OE2 3.18Å; E281-F283 PolarHBondContact O-N 3.01Å; E281-K285 HydrophobicContact CB-CB 3.96Å; E281-K285 HydrophobicContact CB-CD 4.49Å; E281-K285 CarbonylContact O-C 3.57Å; E281-K285 WeakPolarHBondContact O-CA 3.34Å; E281-K285 VanDerWaalsContact O-CB 3.28Å; E281-K285 WeakPolarHBondContact O-CB 3.05Å; E281-K285 PolarHBondContact O-N 3.32Å; E281-N286 PolarHBondContact O-N 2.87Å
282	K	98.1	Very high	97.7	Very high	20 Å²	20	19.2 Å²	19.2	9%	0.087	9%	0.093	C	C	.	.	H	α-helix	trans	-60.8	-35.8	175.5	-68.2	169.8	-148.8	62.1	0	111.7	Y267 S269 F270 E271 T280	Y267-K282 HydrophobicContact CE1-CB 4.41Å; Y267-K282 WeakPolarHBondContact CE1-O 3.28Å; S269-K282 PolarHBondContact OG-O 3.5Å; F270-K282 WeakPolarHBondContact O-CD 3Å; E271-K282 IonicContact OE2-NZ 3.98Å; E271-K282 PolarHBondContact OE2-NZ 3.23Å; T280-K282 PolarHBondContact O-N 3.5Å; T280-K282 VanDerWaalsContact O-N 3.09Å; T280-K282 PolarHBondContact OG1-N 2.93Å; T280-K282 PolarHBondContact OG1-NZ 2.63Å
283	F	98.7	Very high	97.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-82.1	-54.8	176.9	-179.1	-111.5	0	0	0	110.9	I279 T280 E281 A287 L288 P294 V296 Y304 A308 F313	I279-F283 HydrophobicContact CG2-CB 3.69Å; I279-F283 HydrophobicContact CG2-CD1 3.56Å; I279-F283 HydrophobicContact CG2-CE1 4.44Å; I279-F283 HydrophobicContact CG2-CG 3.79Å; T280-F283 PolarHBondContact O-N 2.69Å; E281-F283 PolarHBondContact O-N 3.01Å; F283-A287 WeakPolarHBondContact O-CB 3.45Å; F283-L288 HydrophobicContact CD1-CD1 4.08Å; F283-L288 HydrophobicContact CE1-CD1 3.5Å; F283-L288 VanDerWaalsContact CE1-CD1 3.5Å; F283-L288 HydrophobicContact CE1-CG 4.31Å; F283-L288 HydrophobicContact CE2-CD1 4.38Å; F283-L288 HydrophobicContact CE2-CG 4.4Å; F283-L288 HydrophobicContact CZ-CD1 3.67Å; F283-L288 HydrophobicContact CZ-CD2 4.35Å; F283-L288 HydrophobicContact CZ-CG 4.15Å; F283-L288 PolarHBondContact O-N 2.77Å; F283-L288 VanDerWaalsContact O-N 3.09Å; F283-P294 HydrophobicContact CD2-CB 3.77Å; F283-P294 HydrophobicContact CD2-CG 3.94Å; F283-P294 HydrophobicContact CE2-CB 3.9Å; F283-P294 HydrophobicContact CE2-CG 3.57Å; F283-V296 HydrophobicContact CD2-CG1 3.5Å; F283-V296 HydrophobicContact CE2-CG1 3.85Å; F283-Y304 HydrophobicContact CD2-CD1 4.26Å; F283-Y304 HydrophobicContact CD2-CE1 4.03Å; F283-Y304 HydrophobicContact CE2-CD1 4.19Å; F283-Y304 HydrophobicContact CE2-CE1 4.41Å; F283-Y304 HydrophobicContact CG-CD1 4.5Å; F283-Y304 HydrophobicContact CG-CE1 4.14Å; F283-Y304 HydrophobicContact CZ-CD1 4.37Å; F283-A308 HydrophobicContact CE1-CB 3.96Å; F283-A308 HydrophobicContact CZ-CB 3.55Å; F283-F313 HydrophobicContact CE2-CB 3.85Å; F283-F313 HydrophobicContact CE2-CG 4.33Å; F283-F313 HydrophobicContact CZ-CB 4.43Å; F283-F313 HydrophobicContact CZ-CD1 4.49Å
284	F	98.5	Very high	97.8	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.018	9%	0.089	C	C	.	.	H	α-helix	trans	-75.4	-58.8	-173.1	-60.4	-73	0	0	0	113.1	G172 I279 T280 L288 M289 V307 V351 L353	G172-F284 WeakPolarHBondContact O-CZ 3.24Å; I279-F284 HydrophobicContact CB-CE2 4.32Å; I279-F284 HydrophobicContact CG2-CD2 4.42Å; I279-F284 HydrophobicContact CG2-CE2 3.65Å; I279-F284 HydrophobicContact CG2-CZ 3.97Å; T280-F284 VanDerWaalsContact O-CD2 3.24Å; T280-F284 WeakPolarHBondContact O-CD2 3.21Å; T280-F284 PolarHBondContact O-N 3.4Å; F284-L288 HydrophobicContact CD1-CD1 4.29Å; F284-L288 PolarHBondContact O-N 3.15Å; F284-M289 WeakPolarHBondContact O-CG 3.44Å; F284-M289 PolarHBondContact O-N 3.17Å; F284-V307 HydrophobicContact CZ-CG2 4.19Å; F284-V351 HydrophobicContact CB-CG1 3.9Å; F284-V351 HydrophobicContact CD1-CG1 4.01Å; F284-V351 HydrophobicContact CG-CG1 4.4Å; F284-L353 HydrophobicContact CB-CD2 3.62Å
285	K	97.6	Very high	97.9	Very high	62 Å²	62	17.6 Å²	17.6	27%	0.27	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-52.4	-173.2	-175.4	-175	-170	-164.7	0	111.6	D253 H257 E281 N290 L353	D253-K285 IonicContact OD2-NZ 3.88Å; D253-K285 PolarHBondContact OD2-NZ 2.82Å; H257-K285 WeakPolarHBondContact CE1-CE 3.46Å; E281-K285 HydrophobicContact CB-CB 3.96Å; E281-K285 HydrophobicContact CB-CD 4.49Å; E281-K285 CarbonylContact O-C 3.57Å; E281-K285 WeakPolarHBondContact O-CA 3.34Å; E281-K285 VanDerWaalsContact O-CB 3.28Å; E281-K285 WeakPolarHBondContact O-CB 3.05Å; E281-K285 PolarHBondContact O-N 3.32Å; K285-N290 PolarHBondContact O-ND2 2.93Å; K285-L353 HydrophobicContact CB-CD1 3.68Å; K285-L353 HydrophobicContact CB-CD2 3.85Å; K285-L353 HydrophobicContact CB-CG 4.42Å; K285-L353 HydrophobicContact CD-CD1 4.02Å; K285-L353 HydrophobicContact CG-CD1 3.65Å
286	N	97.5	Very high	97.9	Very high	18 Å²	18	17.6 Å²	17.6	10%	0.096	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-35.9	-171.6	-66.8	-4.5	0	0	0	111.6	H257 L260 Y267 E281 N290	H257-N286 PolarHBondContact NE2-OD1 3.45Å; L260-N286 HydrophobicContact CD1-CB 4.31Å; L260-N286 WeakPolarHBondContact CD1-O 3.07Å; Y267-N286 HydrophobicContact CD1-CB 4.18Å; Y267-N286 HydrophobicContact CE1-CB 3.57Å; Y267-N286 HydrophobicContact CE2-CB 4.48Å; Y267-N286 PolarHBondContact OH-ND2 3.39Å; E281-N286 PolarHBondContact O-N 2.87Å; N286-N290 WeakPolarHBondContact O-CB 3.5Å; N286-N290 PolarHBondContact O-ND2 3.45Å
287	A	98.2	Very high	97.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-72.4	-176.8	0	0	0	0	0	114.6	Y267 F283 M289 N290 V292 P294	Y267-A287 HydrophobicContact CD1-CB 4Å; F283-A287 WeakPolarHBondContact O-CB 3.45Å; A287-M289 PolarHBondContact O-N 3.21Å; A287-M289 VanDerWaalsContact O-N 3.12Å; A287-N290 PolarHBondContact O-N 3.3Å; A287-V292 VanDerWaalsContact CA-CG2 3.45Å; A287-V292 HydrophobicContact CB-CG2 3.91Å; A287-V292 WeakPolarHBondContact O-CG2 3.35Å; A287-P294 HydrophobicContact CB-CB 3.54Å; A287-P294 HydrophobicContact CB-CG 4.06Å
288	L	97.8	Very high	97.9	Very high	4 Å²	4	14.3 Å²	14.3	2%	0.021	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-58	-34.1	-169.7	-67.6	-177.7	0	0	0	113.5	F283 F284 N290 P294 P309 W345 V351	F283-L288 HydrophobicContact CD1-CD1 4.08Å; F283-L288 HydrophobicContact CE1-CD1 3.5Å; F283-L288 VanDerWaalsContact CE1-CD1 3.5Å; F283-L288 HydrophobicContact CE1-CG 4.31Å; F283-L288 HydrophobicContact CE2-CD1 4.38Å; F283-L288 HydrophobicContact CE2-CG 4.4Å; F283-L288 HydrophobicContact CZ-CD1 3.67Å; F283-L288 HydrophobicContact CZ-CD2 4.35Å; F283-L288 HydrophobicContact CZ-CG 4.15Å; F283-L288 PolarHBondContact O-N 2.77Å; F283-L288 VanDerWaalsContact O-N 3.09Å; F284-L288 HydrophobicContact CD1-CD1 4.29Å; F284-L288 PolarHBondContact O-N 3.15Å; L288-N290 VanDerWaalsContact C-N 3.33Å; L288-P294 HydrophobicContact CD2-CG 3.87Å; L288-P294 HydrophobicContact CG-CG 4.46Å; L288-P309 HydrophobicContact CD1-CG 4.43Å; L288-W345 HydrophobicContact CB-CH2 4.06Å; L288-W345 HydrophobicContact CB-CZ2 4.15Å; L288-W345 HydrophobicContact CD2-CH2 4.33Å; L288-W345 HydrophobicContact CD2-CZ2 3.71Å; L288-W345 HydrophobicContact CG-CZ2 4.46Å; L288-V351 HydrophobicContact CB-CG2 3.88Å; L288-V351 HydrophobicContact CD1-CG2 4.1Å
289	M	96.7	Very high	97.9	Very high	86 Å²	86	14.3 Å²	14.3	42%	0.424	7%	0.071	S	C	.	.	G	3₁₀ helix	trans	-80	-7	177.4	-68.3	178.9	73	0	0	114.8	F284 A287 V351 L353	F284-M289 WeakPolarHBondContact O-CG 3.44Å; F284-M289 PolarHBondContact O-N 3.17Å; A287-M289 PolarHBondContact O-N 3.21Å; A287-M289 VanDerWaalsContact O-N 3.12Å; M289-V351 HydrophobicContact CG-CB 3.85Å; M289-V351 HydrophobicContact CG-CG1 3.99Å; M289-V351 HydrophobicContact SD-CB 4.44Å; M289-V351 HydrophobicContact SD-CG1 4.16Å; M289-L353 HydrophobicContact CE-CD1 4.4Å; M289-L353 HydrophobicContact SD-CD1 3.7Å; M289-L353 HydrophobicContact SD-CD2 4.04Å; M289-L353 HydrophobicContact SD-CG 3.68Å
290	N	96.1	Very high	97.9	Very high	17 Å²	17	15.9 Å²	15.9	9%	0.091	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-121.3	29.5	-174.2	-67.3	-55.1	0	0	0	113.2	H257 L260 K261 K285 N286 A287 L288 V292	H257-N290 PolarHBondContact CD2-ND2 3.45Å; L260-N290 HydrophobicContact CB-CB 4.31Å; K261-N290 WeakPolarHBondContact CA-O 3.46Å; K261-N290 HydrophobicContact CB-CB 4.12Å; K285-N290 PolarHBondContact O-ND2 2.93Å; N286-N290 WeakPolarHBondContact O-CB 3.5Å; N286-N290 PolarHBondContact O-ND2 3.45Å; A287-N290 PolarHBondContact O-N 3.3Å; L288-N290 VanDerWaalsContact C-N 3.33Å; N290-V292 WeakPolarHBondContact O-CG1 3.23Å; N290-V292 PolarHBondContact O-N 3.17Å
291	D	95.4	Very high	97.9	Very high	16 Å²	16	17.9 Å²	17.9	9%	0.086	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	38	173.9	-60.1	-33.3	0	0	0	113.2	R204 I206 K210 K261 F343 Q346	R204-D291 IonicContact CZ-OD1 3.23Å; R204-D291 IonicContact NH1-OD2 3.5Å; R204-D291 IonicContact NH2-OD1 2.63Å; R204-D291 PolarHBondContact NH2-OD1 2.78Å; R204-D291 IonicContact NH2-OD2 2.87Å; I206-D291 HydrophobicContact CD1-CB 4.26Å; I206-D291 HydrophobicContact CG2-CB 4.12Å; K210-D291 WeakPolarHBondContact CE-O 3.07Å; K210-D291 PolarHBondContact NZ-O 3.16Å; K261-D291 VanDerWaalsContact CE-OD2 3.22Å; K261-D291 WeakPolarHBondContact CE-OD2 3.26Å; K261-D291 HydrophobicContact CG-CB 4.37Å; D291-F343 VanDerWaalsContact C-CE1 3.41Å; D291-Q346 PolarHBondContact OD1-NE2 3.37Å; D291-Q346 PolarHBondContact OD1-OE1 3.17Å
292	V	97.5	Very high	97.9	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	11%	0.107	C	C	.	.			trans	-126.1	145.6	174.6	-62.5	0	0	0	0	109.9	L260 Y264 A287 N290 P294	L260-V292 HydrophobicContact CB-CG1 4.19Å; L260-V292 WeakPolarHBondContact O-CG1 3.38Å; Y264-V292 VanDerWaalsContact O-CG1 3.3Å; Y264-V292 WeakPolarHBondContact O-CG1 3.36Å; A287-V292 VanDerWaalsContact CA-CG2 3.45Å; A287-V292 HydrophobicContact CB-CG2 3.91Å; A287-V292 WeakPolarHBondContact O-CG2 3.35Å; N290-V292 WeakPolarHBondContact O-CG1 3.23Å; N290-V292 PolarHBondContact O-N 3.17Å; V292-P294 WeakPolarHBondContact O-CD 2.95Å
293	I	98.6	Very high	98	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	116.8	177.9	-56.9	176.1	0	0	0	108.5	K265 F266 Y267 V295 I314 F339 Y342 F343	K265-I293 PolarHBondContact O-N 3.17Å; F266-I293 WeakPolarHBondContact CA-O 3.18Å; F266-I293 HydrophobicContact CD1-CB 3.98Å; F266-I293 HydrophobicContact CD1-CD1 4.35Å; F266-I293 HydrophobicContact CD1-CG2 4.48Å; F266-I293 HydrophobicContact CE1-CB 4.48Å; F266-I293 HydrophobicContact CE1-CD1 3.99Å; Y267-I293 PolarHBondContact N-O 3.36Å; I293-V295 PolarHBondContact O-N 3.26Å; I293-I314 HydrophobicContact CG2-CD1 3.76Å; I293-I314 HydrophobicContact CG2-CG1 3.9Å; I293-F339 HydrophobicContact CD1-CD2 3.46Å; I293-F339 VanDerWaalsContact CD1-CD2 3.46Å; I293-F339 HydrophobicContact CD1-CE2 3.42Å; I293-F339 VanDerWaalsContact CD1-CE2 3.42Å; I293-F339 HydrophobicContact CD1-CG 4.27Å; I293-F339 HydrophobicContact CD1-CZ 4.26Å; I293-F339 HydrophobicContact CG1-CD2 4.38Å; I293-F339 HydrophobicContact CG1-CE2 3.86Å; I293-F339 HydrophobicContact CG1-CZ 4.35Å; I293-Y342 HydrophobicContact CD1-CD1 4.2Å; I293-Y342 HydrophobicContact CD1-CD2 3.79Å; I293-Y342 HydrophobicContact CD1-CG 3.6Å; I293-Y342 HydrophobicContact CG1-CD1 4.45Å; I293-Y342 HydrophobicContact CG1-CG 4.13Å; I293-Y342 HydrophobicContact CG2-CD1 3.83Å; I293-Y342 HydrophobicContact CG2-CE1 4.18Å; I293-Y342 HydrophobicContact CG2-CG 4.31Å; I293-F343 HydrophobicContact CD1-CE2 4.15Å; I293-F343 HydrophobicContact CD1-CZ 4.5Å; I293-F343 HydrophobicContact CG1-CE2 3.67Å; I293-F343 HydrophobicContact CG1-CZ 3.56Å
294	P	98.9	Very high	97.9	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.006	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	123.9	172.5	23.4	-29.5	0	0	0	111	F283 A287 L288 V292 V296 S312 F313 I314	F283-P294 HydrophobicContact CD2-CB 3.77Å; F283-P294 HydrophobicContact CD2-CG 3.94Å; F283-P294 HydrophobicContact CE2-CB 3.9Å; F283-P294 HydrophobicContact CE2-CG 3.57Å; A287-P294 HydrophobicContact CB-CB 3.54Å; A287-P294 HydrophobicContact CB-CG 4.06Å; L288-P294 HydrophobicContact CD2-CG 3.87Å; L288-P294 HydrophobicContact CG-CG 4.46Å; V292-P294 WeakPolarHBondContact O-CD 2.95Å; P294-V296 HydrophobicContact CB-CG1 3.96Å; P294-S312 VanDerWaalsContact CD-O 3.24Å; P294-S312 WeakPolarHBondContact CD-O 3.06Å; P294-S312 WeakPolarHBondContact CG-O 3.33Å; P294-F313 HydrophobicContact CB-CB 4.46Å; P294-F313 HydrophobicContact CG-CB 3.71Å; P294-I314 PolarHBondContact O-N 2.89Å
295	V	99	Very high	97.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	107.9	164.8	-176.8	0	0	0	0	107.4	F266 Y267 L268 S269 F270 I293 I314 V316 L325 L329	F266-V295 HydrophobicContact CB-CG2 4.13Å; Y267-V295 PolarHBondContact O-N 2.78Å; L268-V295 CarbonylContact C-O 3.6Å; L268-V295 HydrophobicContact CD2-CB 3.84Å; L268-V295 HydrophobicContact CD2-CG1 4.01Å; L268-V295 HydrophobicContact CD2-CG2 4.43Å; S269-V295 PolarHBondContact N-O 3.04Å; F270-V295 WeakPolarHBondContact CD1-O 3.43Å; F270-V295 HydrophobicContact CE1-CG1 4.13Å; F270-V295 WeakPolarHBondContact CE1-O 3.41Å; I293-V295 PolarHBondContact O-N 3.26Å; V295-I314 CarbonylContact C-O 3.35Å; V295-I314 VanDerWaalsContact CA-O 3.26Å; V295-I314 WeakPolarHBondContact CA-O 3.3Å; V295-I314 HydrophobicContact CG2-CB 4.38Å; V295-V316 HydrophobicContact CG1-CG1 4.36Å; V295-L325 HydrophobicContact CG1-CD1 4.23Å; V295-L325 HydrophobicContact CG1-CD2 3.92Å; V295-L329 HydrophobicContact CG2-CD1 4.48Å; V295-L329 HydrophobicContact CG2-CD2 4.04Å
296	V	98.9	Very high	97.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	146.9	-165.3	-60.7	0	0	0	0	112.9	F283 P294 Y304 F313 I314 H315 V316	F283-V296 HydrophobicContact CD2-CG1 3.5Å; F283-V296 HydrophobicContact CE2-CG1 3.85Å; P294-V296 HydrophobicContact CB-CG1 3.96Å; V296-Y304 HydrophobicContact CB-CD1 4.28Å; V296-Y304 HydrophobicContact CB-CD2 4.49Å; V296-Y304 HydrophobicContact CB-CE1 3.73Å; V296-Y304 HydrophobicContact CB-CE2 3.97Å; V296-Y304 HydrophobicContact CG1-CD1 4.11Å; V296-Y304 HydrophobicContact CG1-CE1 3.62Å; V296-Y304 HydrophobicContact CG2-CD1 4.13Å; V296-Y304 HydrophobicContact CG2-CD2 3.97Å; V296-Y304 HydrophobicContact CG2-CE1 4.06Å; V296-Y304 HydrophobicContact CG2-CE2 3.89Å; V296-Y304 HydrophobicContact CG2-CG 4.1Å; V296-F313 HydrophobicContact CG2-CD2 3.62Å; V296-F313 HydrophobicContact CG2-CE2 4.12Å; V296-I314 PolarHBondContact N-O 2.92Å; V296-H315 HydrophobicContact CG2-CB 3.89Å; V296-H315 VanDerWaalsContact CG2-CD2 3.48Å; V296-H315 WeakPolarHBondContact CG2-CD2 3.33Å; V296-V316 WeakPolarHBondContact O-CG1 3.44Å; V296-V316 PolarHBondContact O-N 3.38Å; V296-V316 VanDerWaalsContact O-N 3.1Å
297	M	98.6	Very high	97.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	119.6	171.5	175.7	-169.3	-65.1	0	0	107.6	P226 R227 Y230 F270 E271 L274 V316 L393	P226-M297 HydrophobicContact CG-SD 4.4Å; R227-M297 HydrophobicContact CB-SD 3.88Å; Y230-M297 VanDerWaalsContact CB-CE 3.42Å; Y230-M297 HydrophobicContact CD1-CE 3.8Å; Y230-M297 HydrophobicContact CD2-CE 3.5Å; Y230-M297 VanDerWaalsContact CD2-CE 3.5Å; Y230-M297 HydrophobicContact CE1-CE 4.46Å; Y230-M297 HydrophobicContact CE2-CE 4.22Å; Y230-M297 HydrophobicContact CG-CE 3.28Å; F270-M297 HydrophobicContact CB-CB 4.27Å; F270-M297 HydrophobicContact CD1-CB 3.42Å; F270-M297 VanDerWaalsContact CD1-CB 3.42Å; F270-M297 HydrophobicContact CD2-CE 4.26Å; F270-M297 HydrophobicContact CE1-CB 3.84Å; F270-M297 HydrophobicContact CE1-CE 4.37Å; F270-M297 HydrophobicContact CE2-CE 4.05Å; F270-M297 HydrophobicContact CG-CB 3.91Å; F270-M297 HydrophobicContact CG-SD 4.48Å; F270-M297 HydrophobicContact CZ-CE 4.1Å; E271-M297 WeakPolarHBondContact CB-O 3.44Å; E271-M297 PolarHBondContact N-O 3.3Å; L274-M297 HydrophobicContact CD2-CG 3.82Å; L274-M297 HydrophobicContact CD2-SD 4.45Å; M297-V316 HydrophobicContact CB-CG1 4.27Å; M297-V316 HydrophobicContact CB-CG2 3.89Å; M297-V316 HydrophobicContact CE-CG1 4.18Å; M297-V316 HydrophobicContact CE-CG2 4.16Å; M297-V316 HydrophobicContact CG-CG2 4.05Å; M297-L393 HydrophobicContact CE-CD1 3.46Å; M297-L393 VanDerWaalsContact CE-CD1 3.46Å; M297-L393 HydrophobicContact CE-CD2 4.47Å; M297-L393 HydrophobicContact CG-CD1 4.36Å; M297-L393 HydrophobicContact CG-CD2 3.77Å; M297-L393 HydrophobicContact SD-CD1 3.87Å; M297-L393 HydrophobicContact SD-CD2 4.3Å
298	G	98.1	Very high	97.9	Very high	7 Å²	7	28.7 Å²	28.7	7%	0.072	16%	0.156	C	C	.	.	S	Bend	trans	169.4	-110	-176.2	0	0	0	0	0	111.9
299	A	98.2	Very high	97.8	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.008	16%	0.156	C	C	.	.	S	Bend	trans	-60.1	170.6	167.3	0	0	0	0	0	111.4	I279 E303 Y304 H315	I279-A299 HydrophobicContact CD1-CB 4.15Å; I279-A299 HydrophobicContact CG1-CB 3.91Å; A299-E303 HydrophobicContact CB-CB 3.8Å; A299-Y304 HydrophobicContact CB-CD2 4.26Å; A299-Y304 HydrophobicContact CB-CE2 4.04Å; A299-Y304 VanDerWaalsContact O-CE2 3.32Å; A299-Y304 WeakPolarHBondContact O-CE2 3.44Å; A299-H315 PolarHBondContact O-NE2 3.4Å
300	S	97.9	Very high	97.7	Very high	42 Å²	42	28.7 Å²	28.7	29%	0.294	16%	0.162	S	C	.	.			trans	-75.2	166.4	-177	70.4	0	0	0	0	111.2	E302 E303 Y304	S300-E302 PolarHBondContact O-N 3.37Å; S300-E303 WeakPolarHBondContact CA-OE2 3.3Å; S300-E303 WeakPolarHBondContact CB-OE2 3.19Å; S300-E303 PolarHBondContact N-OE2 3.1Å; S300-E303 PolarHBondContact O-N 2.99Å; S300-E303 VanDerWaalsContact O-N 3.16Å; S300-E303 WeakPolarHBondContact OG-CG 3.23Å; S300-E303 PolarHBondContact OG-N 3.35Å; S300-E303 PolarHBondContact OG-OE2 3.19Å; S300-Y304 WeakPolarHBondContact O-CD2 3.33Å; S300-Y304 PolarHBondContact O-N 2.93Å
301	I	98.4	Very high	97.7	Very high	42 Å²	42	34.4 Å²	34.4	22%	0.215	19%	0.193	C	C	.	.	H	α-helix	trans	-53.4	-42.8	175.6	-64.6	172	0	0	0	111.4	Y304 K305 H315 D317 Q318	I301-Y304 PolarHBondContact O-N 3.06Å; I301-K305 HydrophobicContact CG2-CD 4.11Å; I301-K305 HydrophobicContact CG2-CG 4.46Å; I301-K305 WeakPolarHBondContact O-CG 3.46Å; I301-K305 PolarHBondContact O-N 2.85Å; I301-H315 HydrophobicContact CD1-CB 4.43Å; I301-H315 HydrophobicContact CG1-CB 3.78Å; I301-H315 VanDerWaalsContact CG1-CG 3.45Å; I301-H315 WeakPolarHBondContact CG1-ND1 3.35Å; I301-D317 HydrophobicContact CD1-CB 4.32Å; I301-Q318 HydrophobicContact CD1-CG 3.96Å
302	E	98.1	Very high	97.8	Very high	116 Å²	116	33.7 Å²	33.7	54%	0.542	19%	0.189	S	C	.	.	H	α-helix	trans	-71.7	-34.6	-178	-58.6	-49.3	135.5	0	0	112.3	S300 K305 S306	S300-E302 PolarHBondContact O-N 3.37Å; E302-K305 PolarHBondContact O-N 2.91Å; E302-K305 IonicContact OE1-NZ 3.12Å; E302-K305 PolarHBondContact OE1-NZ 2.79Å; E302-K305 VanDerWaalsContact OE2-CD 3.29Å; E302-K305 WeakPolarHBondContact OE2-CD 3.25Å; E302-K305 IonicContact OE2-NZ 3.57Å; E302-K305 PolarHBondContact OE2-NZ 3.15Å; E302-S306 PolarHBondContact O-N 3.38Å
303	E	98.3	Very high	97.9	Very high	25 Å²	25	34.6 Å²	34.6	12%	0.117	19%	0.193	C	C	.	.	H	α-helix	trans	-68.1	-37.2	173.3	-69.7	160.9	109.7	0	0	111.7	Q276 D277 A299 S300 S306 R391	Q276-E303 WeakPolarHBondContact CA-OE1 3.43Å; Q276-E303 WeakPolarHBondContact CG-OE1 3.26Å; D277-E303 PolarHBondContact N-OE1 2.91Å; A299-E303 HydrophobicContact CB-CB 3.8Å; S300-E303 WeakPolarHBondContact CA-OE2 3.3Å; S300-E303 WeakPolarHBondContact CB-OE2 3.19Å; S300-E303 PolarHBondContact N-OE2 3.1Å; S300-E303 PolarHBondContact O-N 2.99Å; S300-E303 VanDerWaalsContact O-N 3.16Å; S300-E303 WeakPolarHBondContact OG-CG 3.23Å; S300-E303 PolarHBondContact OG-N 3.35Å; S300-E303 PolarHBondContact OG-OE2 3.19Å; E303-S306 PolarHBondContact O-OG 2.99Å; E303-R391 IonicContact OE1-NH1 3.72Å; E303-R391 PolarHBondContact OE1-NH1 3.04Å; E303-R391 IonicContact OE1-NH2 3.49Å; E303-R391 IonicContact OE2-CZ 2.89Å; E303-R391 IonicContact OE2-NH1 3.27Å; E303-R391 PolarHBondContact OE2-NH1 2.75Å; E303-R391 IonicContact OE2-NH2 2.98Å; E303-R391 PolarHBondContact OE2-NH2 2.89Å
304	Y	98.7	Very high	97.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.7	-43.3	170.9	-84.4	-79.4	0	0	0	111.7	I279 F283 V296 A299 S300 I301 S306 V307 A308 F313 H315	I279-Y304 HydrophobicContact CB-CE1 4.29Å; I279-Y304 HydrophobicContact CD1-CD1 3.68Å; I279-Y304 HydrophobicContact CD1-CD2 4.38Å; I279-Y304 HydrophobicContact CD1-CE1 3.91Å; I279-Y304 HydrophobicContact CD1-CG 3.93Å; I279-Y304 HydrophobicContact CG1-CD1 4.07Å; I279-Y304 HydrophobicContact CG1-CE1 3.74Å; I279-Y304 HydrophobicContact CG1-CE2 4.42Å; I279-Y304 HydrophobicContact CG2-CD1 4.14Å; I279-Y304 HydrophobicContact CG2-CE1 3.64Å; F283-Y304 HydrophobicContact CD2-CD1 4.26Å; F283-Y304 HydrophobicContact CD2-CE1 4.03Å; F283-Y304 HydrophobicContact CE2-CD1 4.19Å; F283-Y304 HydrophobicContact CE2-CE1 4.41Å; F283-Y304 HydrophobicContact CG-CD1 4.5Å; F283-Y304 HydrophobicContact CG-CE1 4.14Å; F283-Y304 HydrophobicContact CZ-CD1 4.37Å; V296-Y304 HydrophobicContact CB-CD1 4.28Å; V296-Y304 HydrophobicContact CB-CD2 4.49Å; V296-Y304 HydrophobicContact CB-CE1 3.73Å; V296-Y304 HydrophobicContact CB-CE2 3.97Å; V296-Y304 HydrophobicContact CG1-CD1 4.11Å; V296-Y304 HydrophobicContact CG1-CE1 3.62Å; V296-Y304 HydrophobicContact CG2-CD1 4.13Å; V296-Y304 HydrophobicContact CG2-CD2 3.97Å; V296-Y304 HydrophobicContact CG2-CE1 4.06Å; V296-Y304 HydrophobicContact CG2-CE2 3.89Å; V296-Y304 HydrophobicContact CG2-CG 4.1Å; A299-Y304 HydrophobicContact CB-CD2 4.26Å; A299-Y304 HydrophobicContact CB-CE2 4.04Å; A299-Y304 VanDerWaalsContact O-CE2 3.32Å; A299-Y304 WeakPolarHBondContact O-CE2 3.44Å; S300-Y304 WeakPolarHBondContact O-CD2 3.33Å; S300-Y304 PolarHBondContact O-N 2.93Å; I301-Y304 PolarHBondContact O-N 3.06Å; Y304-S306 VanDerWaalsContact C-N 3.25Å; Y304-S306 PolarHBondContact O-N 3.22Å; Y304-V307 PolarHBondContact O-N 3.05Å; Y304-A308 WeakPolarHBondContact O-CB 3.46Å; Y304-A308 PolarHBondContact O-N 2.93Å; Y304-F313 VanDerWaalsContact CB-CZ 3.4Å; Y304-F313 HydrophobicContact CG-CE2 4.25Å; Y304-F313 HydrophobicContact CG-CZ 4.48Å; Y304-H315 AromaticContact CD2-CD2 3.61Å; Y304-H315 AromaticContact CD2-NE2 3.96Å; Y304-H315 AromaticContact CE2-CD2 3.94Å
305	K	98.2	Very high	97.9	Very high	112 Å²	112	34.6 Å²	34.6	49%	0.487	19%	0.193	S	C	.	.	H	α-helix	trans	-60.9	-31.7	178.1	-77.9	171.2	178.5	171.9	0	113.1	I301 E302 V307 F313	I301-K305 HydrophobicContact CG2-CD 4.11Å; I301-K305 HydrophobicContact CG2-CG 4.46Å; I301-K305 WeakPolarHBondContact O-CG 3.46Å; I301-K305 PolarHBondContact O-N 2.85Å; E302-K305 PolarHBondContact O-N 2.91Å; E302-K305 IonicContact OE1-NZ 3.12Å; E302-K305 PolarHBondContact OE1-NZ 2.79Å; E302-K305 VanDerWaalsContact OE2-CD 3.29Å; E302-K305 WeakPolarHBondContact OE2-CD 3.25Å; E302-K305 IonicContact OE2-NZ 3.57Å; E302-K305 PolarHBondContact OE2-NZ 3.15Å; K305-V307 VanDerWaalsContact C-N 3.27Å; K305-V307 PolarHBondContact O-N 2.8Å; K305-F313 HydrophobicContact CG-CE1 4.32Å; K305-F313 HydrophobicContact CG-CZ 3.97Å
306	S	97	Very high	97.9	Very high	77 Å²	77	34.6 Å²	34.6	54%	0.538	19%	0.193	S	C	.	.	H	α-helix	trans	-72.1	-19.9	-178.6	72.7	0	0	0	0	113.6	E302 E303 Y304	E302-S306 PolarHBondContact O-N 3.38Å; E303-S306 PolarHBondContact O-OG 2.99Å; Y304-S306 VanDerWaalsContact C-N 3.25Å; Y304-S306 PolarHBondContact O-N 3.22Å
307	V	97.1	Very high	97.9	Very high	43 Å²	43	36.3 Å²	36.3	26%	0.261	20%	0.202	S	C	.	.	H	α-helix	trans	-119	-17.7	-177.7	-55.4	0	0	0	0	114.4	V174 I279 F284 Y304 K305	V174-V307 VanDerWaalsContact CG2-O 3.24Å; V174-V307 WeakPolarHBondContact CG2-O 3.47Å; I279-V307 HydrophobicContact CD1-CG2 3.54Å; F284-V307 HydrophobicContact CZ-CG2 4.19Å; Y304-V307 PolarHBondContact O-N 3.05Å; K305-V307 VanDerWaalsContact C-N 3.27Å; K305-V307 PolarHBondContact O-N 2.8Å
308	A	98	Very high	97.9	Very high	12 Å²	12	41 Å²	41	10%	0.099	22%	0.224	C	C	.	.	S	Bend	trans	-87.5	154.2	-178.9	0	0	0	0	0	112.1	F283 Y304 F313	F283-A308 HydrophobicContact CE1-CB 3.96Å; F283-A308 HydrophobicContact CZ-CB 3.55Å; Y304-A308 WeakPolarHBondContact O-CB 3.46Å; Y304-A308 PolarHBondContact O-N 2.93Å; A308-F313 HydrophobicContact CB-CD1 3.65Å; A308-F313 HydrophobicContact CB-CE1 3.67Å
309	P	96.8	Very high	97.9	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.019	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-60.6	148.8	164	-10.8	25	0	0	0	110.2	V174 L288 N311 S312 W345	V174-P309 HydrophobicContact CG1-CB 4.41Å; V174-P309 HydrophobicContact CG1-CG 3.86Å; V174-P309 HydrophobicContact CG2-CG 3.87Å; L288-P309 HydrophobicContact CD1-CG 4.43Å; P309-N311 PolarHBondContact O-N 2.81Å; P309-S312 WeakPolarHBondContact CD-OG 3.31Å; P309-S312 VanDerWaalsContact O-CB 3.28Å; P309-S312 WeakPolarHBondContact O-CB 3.46Å; P309-S312 PolarHBondContact O-N 2.9Å; P309-S312 PolarHBondContact O-OG 3.14Å; P309-W345 HydrophobicContact CB-CB 3.57Å; P309-W345 HydrophobicContact CB-CD2 3.63Å; P309-W345 HydrophobicContact CB-CE3 3.8Å; P309-W345 HydrophobicContact CB-CG 3.55Å; P309-W345 HydrophobicContact CG-CD2 3.59Å; P309-W345 HydrophobicContact CG-CE3 3.49Å; P309-W345 VanDerWaalsContact CG-CE3 3.49Å; P309-W345 HydrophobicContact CG-CG 4.07Å; P309-W345 HydrophobicContact CG-CH2 4.37Å; P309-W345 HydrophobicContact CG-CZ2 4.47Å; P309-W345 HydrophobicContact CG-CZ3 3.9Å
310	P	94.4	Very high	97.8	Very high	86 Å²	86	45.5 Å²	45.5	56%	0.558	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	141.7	176.2	-25.2	34.1	0	0	0	112.2	S312	P310-S312 PolarHBondContact O-N 3.04Å; P310-S312 VanDerWaalsContact O-N 3.15Å
311	N	95.9	Very high	97.8	Very high	137 Å²	137	44.8 Å²	44.8	73%	0.733	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	35.4	175.9	-57.8	-31.1	0	0	0	114.7	P309 Y342	P309-N311 PolarHBondContact O-N 2.81Å; N311-Y342 WeakPolarHBondContact O-CA 3.49Å; N311-Y342 VanDerWaalsContact O-CD1 3.26Å; N311-Y342 WeakPolarHBondContact O-CD1 3.19Å
312	S	98.1	Very high	97.8	Very high	2 Å²	2	43 Å²	43	1%	0.014	24%	0.237	C	C	.	.			trans	-106.6	-3.5	-174.3	63.9	0	0	0	0	114.7	P294 P309 P310 W345	P294-S312 VanDerWaalsContact CD-O 3.24Å; P294-S312 WeakPolarHBondContact CD-O 3.06Å; P294-S312 WeakPolarHBondContact CG-O 3.33Å; P309-S312 WeakPolarHBondContact CD-OG 3.31Å; P309-S312 VanDerWaalsContact O-CB 3.28Å; P309-S312 WeakPolarHBondContact O-CB 3.46Å; P309-S312 PolarHBondContact O-N 2.9Å; P309-S312 PolarHBondContact O-OG 3.14Å; P310-S312 PolarHBondContact O-N 3.04Å; P310-S312 VanDerWaalsContact O-N 3.15Å; S312-W345 VanDerWaalsContact CB-CD1 3.46Å
313	F	98.8	Very high	97.8	Very high	20 Å²	20	44 Å²	44	9%	0.088	24%	0.235	C	C	.	.			trans	-148.7	162	-172.9	72.6	-88.9	0	0	0	112.6	F283 P294 V296 Y304 K305 A308 H315	F283-F313 HydrophobicContact CE2-CB 3.85Å; F283-F313 HydrophobicContact CE2-CG 4.33Å; F283-F313 HydrophobicContact CZ-CB 4.43Å; F283-F313 HydrophobicContact CZ-CD1 4.49Å; P294-F313 HydrophobicContact CB-CB 4.46Å; P294-F313 HydrophobicContact CG-CB 3.71Å; V296-F313 HydrophobicContact CG2-CD2 3.62Å; V296-F313 HydrophobicContact CG2-CE2 4.12Å; Y304-F313 VanDerWaalsContact CB-CZ 3.4Å; Y304-F313 HydrophobicContact CG-CE2 4.25Å; Y304-F313 HydrophobicContact CG-CZ 4.48Å; K305-F313 HydrophobicContact CG-CE1 4.32Å; K305-F313 HydrophobicContact CG-CZ 3.97Å; A308-F313 HydrophobicContact CB-CD1 3.65Å; A308-F313 HydrophobicContact CB-CE1 3.67Å; F313-H315 HydrophobicContact CD2-CB 4.34Å; F313-H315 HydrophobicContact CE2-CB 4.03Å
314	I	98.9	Very high	97.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.5	175.8	-60	169.9	0	0	0	107.9	I293 P294 V295 V296 F319 L325 Y328 L329 L332 Y342	I293-I314 HydrophobicContact CG2-CD1 3.76Å; I293-I314 HydrophobicContact CG2-CG1 3.9Å; P294-I314 PolarHBondContact O-N 2.89Å; V295-I314 CarbonylContact C-O 3.35Å; V295-I314 VanDerWaalsContact CA-O 3.26Å; V295-I314 WeakPolarHBondContact CA-O 3.3Å; V295-I314 HydrophobicContact CG2-CB 4.38Å; V296-I314 PolarHBondContact N-O 2.92Å; I314-F319 HydrophobicContact CG2-CE2 3.55Å; I314-F319 HydrophobicContact CG2-CZ 4.05Å; I314-L325 HydrophobicContact CG2-CD1 3.81Å; I314-Y328 HydrophobicContact CD1-CD1 4.16Å; I314-Y328 HydrophobicContact CD1-CE1 3.84Å; I314-Y328 HydrophobicContact CG1-CE1 4.2Å; I314-Y328 HydrophobicContact CG2-CD1 4.45Å; I314-L329 HydrophobicContact CD1-CD2 3.81Å; I314-L332 HydrophobicContact CD1-CD1 3.57Å; I314-Y342 HydrophobicContact CD1-CE1 4.32Å; I314-Y342 HydrophobicContact CG1-CE1 3.7Å
315	H	98.9	Very high	97.8	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	134.9	178.4	-166.7	-77.5	0	0	0	111.1	V296 A299 I301 Y304 F313 D317 Q318	V296-H315 HydrophobicContact CG2-CB 3.89Å; V296-H315 VanDerWaalsContact CG2-CD2 3.48Å; V296-H315 WeakPolarHBondContact CG2-CD2 3.33Å; A299-H315 PolarHBondContact O-NE2 3.4Å; I301-H315 HydrophobicContact CD1-CB 4.43Å; I301-H315 HydrophobicContact CG1-CB 3.78Å; I301-H315 VanDerWaalsContact CG1-CG 3.45Å; I301-H315 WeakPolarHBondContact CG1-ND1 3.35Å; Y304-H315 AromaticContact CD2-CD2 3.61Å; Y304-H315 AromaticContact CD2-NE2 3.96Å; Y304-H315 AromaticContact CE2-CD2 3.94Å; F313-H315 HydrophobicContact CD2-CB 4.34Å; F313-H315 HydrophobicContact CE2-CB 4.03Å; H315-D317 VanDerWaalsContact C-N 3.26Å; H315-D317 IonicContact CE1-OD2 3.07Å; H315-D317 PolarHBondContact CE1-OD2 2.93Å; H315-D317 PolarHBondContact ND1-N 2.87Å; H315-D317 VanDerWaalsContact ND1-N 3.11Å; H315-D317 IonicContact ND1-OD2 2.69Å; H315-D317 PolarHBondContact O-N 3.02Å; H315-Q318 HydrophobicContact CB-CG 4.22Å; H315-Q318 VanDerWaalsContact O-CB 3.31Å; H315-Q318 WeakPolarHBondContact O-CB 3.36Å; H315-Q318 WeakPolarHBondContact O-CG 3.37Å; H315-Q318 PolarHBondContact O-N 3.41Å; H315-Q318 PolarHBondContact O-OE1 3.45Å
316	V	98.8	Very high	97.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-55.4	-37.9	-177.7	-68.5	0	0	0	0	113.6	Y230 F270 V295 V296 M297 Q318 F319 L325 L393	Y230-V316 HydrophobicContact CD1-CG1 4.34Å; Y230-V316 HydrophobicContact CE1-CB 4.23Å; Y230-V316 HydrophobicContact CE1-CG1 3.66Å; Y230-V316 HydrophobicContact CE2-CB 4.08Å; Y230-V316 HydrophobicContact CE2-CG1 4.35Å; F270-V316 HydrophobicContact CE1-CG1 3.68Å; F270-V316 HydrophobicContact CZ-CG1 3.88Å; V295-V316 HydrophobicContact CG1-CG1 4.36Å; V296-V316 WeakPolarHBondContact O-CG1 3.44Å; V296-V316 PolarHBondContact O-N 3.38Å; V296-V316 VanDerWaalsContact O-N 3.1Å; M297-V316 HydrophobicContact CB-CG1 4.27Å; M297-V316 HydrophobicContact CB-CG2 3.89Å; M297-V316 HydrophobicContact CE-CG1 4.18Å; M297-V316 HydrophobicContact CE-CG2 4.16Å; M297-V316 HydrophobicContact CG-CG2 4.05Å; V316-Q318 PolarHBondContact O-N 3.16Å; V316-F319 PolarHBondContact O-N 3.2Å; V316-L325 HydrophobicContact CG1-CD2 4.19Å; V316-L393 HydrophobicContact CG2-CD2 4.02Å
317	D	98.4	Very high	97.9	Very high	36 Å²	36	42.7 Å²	42.7	19%	0.193	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-72.2	-4.7	-179.9	-68.8	-32.9	0	0	0	115.2	I301 H315 F319 L393 K394	I301-D317 HydrophobicContact CD1-CB 4.32Å; H315-D317 VanDerWaalsContact C-N 3.26Å; H315-D317 IonicContact CE1-OD2 3.07Å; H315-D317 PolarHBondContact CE1-OD2 2.93Å; H315-D317 PolarHBondContact ND1-N 2.87Å; H315-D317 VanDerWaalsContact ND1-N 3.11Å; H315-D317 IonicContact ND1-OD2 2.69Å; H315-D317 PolarHBondContact O-N 3.02Å; D317-F319 PolarHBondContact O-N 3.01Å; D317-L393 WeakPolarHBondContact OD1-CA 3.37Å; D317-K394 HydrophobicContact CB-CB 4.3Å; D317-K394 WeakPolarHBondContact OD1-CB 3.38Å; D317-K394 PolarHBondContact OD1-N 3.34Å
318	Q	98.5	Very high	98	Very high	97 Å²	97	43.9 Å²	43.9	45%	0.453	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-67	-17	165.5	-65.9	173.4	-60.8	0	0	111.5	I301 H315 V316	I301-Q318 HydrophobicContact CD1-CG 3.96Å; H315-Q318 HydrophobicContact CB-CG 4.22Å; H315-Q318 VanDerWaalsContact O-CB 3.31Å; H315-Q318 WeakPolarHBondContact O-CB 3.36Å; H315-Q318 WeakPolarHBondContact O-CG 3.37Å; H315-Q318 PolarHBondContact O-N 3.41Å; H315-Q318 PolarHBondContact O-OE1 3.45Å; V316-Q318 PolarHBondContact O-N 3.16Å
319	F	98.5	Very high	98	Very high	31 Å²	31	43.3 Å²	43.3	14%	0.136	22%	0.217	C	C	.	.	S	Bend	trans	-115.8	152.3	-176.5	-52.7	-85	0	0	0	111.1	I314 V316 D317 S321 Q324 L325 Y328	I314-F319 HydrophobicContact CG2-CE2 3.55Å; I314-F319 HydrophobicContact CG2-CZ 4.05Å; V316-F319 PolarHBondContact O-N 3.2Å; D317-F319 PolarHBondContact O-N 3.01Å; F319-S321 VanDerWaalsContact C-N 3.34Å; F319-Q324 HydrophobicContact CB-CB 4.17Å; F319-Q324 HydrophobicContact CD1-CB 4.37Å; F319-L325 HydrophobicContact CB-CB 4.21Å; F319-L325 HydrophobicContact CD1-CB 4.49Å; F319-L325 HydrophobicContact CD2-CB 3.94Å; F319-L325 HydrophobicContact CD2-CD1 3.67Å; F319-L325 HydrophobicContact CD2-CG 4.36Å; F319-L325 HydrophobicContact CE2-CD1 3.5Å; F319-L325 VanDerWaalsContact CE2-CD1 3.5Å; F319-L325 HydrophobicContact CG-CB 3.92Å; F319-L325 HydrophobicContact CG-CD1 4.4Å; F319-L325 HydrophobicContact CZ-CD1 4.09Å; F319-Y328 VanDerWaalsContact CE1-CB 3.45Å; F319-Y328 AromaticContact CE1-CD1 3.98Å; F319-Y328 HydrophobicContact CE1-CD1 3.98Å; F319-Y328 HydrophobicContact CE1-CD2 4.5Å; F319-Y328 AromaticContact CE1-CG 3.73Å; F319-Y328 HydrophobicContact CE1-CG 3.73Å; F319-Y328 HydrophobicContact CE2-CD1 4.48Å; F319-Y328 AromaticContact CZ-CD1 3.45Å; F319-Y328 HydrophobicContact CZ-CD1 3.45Å; F319-Y328 VanDerWaalsContact CZ-CD1 3.45Å; F319-Y328 HydrophobicContact CZ-CE1 4.18Å; F319-Y328 AromaticContact CZ-CG 3.72Å; F319-Y328 HydrophobicContact CZ-CG 3.72Å
320	S	96.5	Very high	98.1	Very high	72 Å²	72	46.5 Å²	46.5	50%	0.503	23%	0.231	S	C	.	.	S	Bend	trans	-79.1	-16.8	177.2	58.4	0	0	0	0	113.7
321	S	97.2	Very high	98.3	Very high	28 Å²	28	48 Å²	48	20%	0.196	23%	0.227	C	C	.	.	S	Bend	trans	-163.2	161.3	-178.7	59.8	0	0	0	0	112.1	F319 R323 Q324 L325	F319-S321 VanDerWaalsContact C-N 3.34Å; S321-R323 PolarHBondContact O-N 2.83Å; S321-Q324 PolarHBondContact O-N 2.64Å; S321-Q324 PolarHBondContact OG-N 3.44Å; S321-L325 PolarHBondContact O-N 3.12Å; S321-L325 VanDerWaalsContact O-N 3.1Å
322	P	98.1	Very high	98.4	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-53	-34	170.7	-27.6	34.4	0	0	0	113.7	Y230 E233 L234 L325 A326 W395	Y230-P322 HydrophobicContact CD1-CG 4.18Å; Y230-P322 HydrophobicContact CD2-CG 4.04Å; Y230-P322 HydrophobicContact CE1-CB 4.15Å; Y230-P322 HydrophobicContact CE1-CG 3.97Å; Y230-P322 HydrophobicContact CE2-CG 3.81Å; Y230-P322 HydrophobicContact CG-CG 4.19Å; E233-P322 HydrophobicContact CB-CB 3.9Å; E233-P322 HydrophobicContact CB-CG 3.72Å; L234-P322 HydrophobicContact CB-CB 4.18Å; L234-P322 HydrophobicContact CD1-CB 4.45Å; L234-P322 WeakPolarHBondContact CD1-O 3.39Å; P322-L325 PolarHBondContact O-N 2.95Å; P322-A326 WeakPolarHBondContact O-CB 3.11Å; P322-A326 PolarHBondContact O-N 3.45Å; P322-W395 VanDerWaalsContact CD-CE2 3.5Å; P322-W395 HydrophobicContact CG-CD2 4.05Å; P322-W395 HydrophobicContact CG-CE3 4.27Å; P322-W395 HydrophobicContact CG-CH2 4.11Å; P322-W395 HydrophobicContact CG-CZ2 3.96Å; P322-W395 HydrophobicContact CG-CZ3 4.28Å
323	R	98.1	Very high	98.4	Very high	136 Å²	136	42.9 Å²	42.9	51%	0.513	20%	0.199	S	C	.	.	H	α-helix	trans	-63.3	-41.4	175.6	-172.6	178.3	-177.9	-158.3	2.3	112.5	Y237 S321 A326 K327	Y237-R323 HydrophobicContact CD1-CB 4.39Å; Y237-R323 HydrophobicContact CD1-CG 3.91Å; Y237-R323 HydrophobicContact CD2-CB 3.85Å; Y237-R323 HydrophobicContact CD2-CG 4.25Å; Y237-R323 HydrophobicContact CE1-CB 4.25Å; Y237-R323 HydrophobicContact CE1-CG 3.89Å; Y237-R323 HydrophobicContact CE2-CB 3.68Å; Y237-R323 HydrophobicContact CE2-CG 4.23Å; Y237-R323 HydrophobicContact CG-CB 4.2Å; Y237-R323 HydrophobicContact CG-CG 4.09Å; S321-R323 PolarHBondContact O-N 2.83Å; R323-A326 PolarHBondContact O-N 3.49Å; R323-K327 WeakPolarHBondContact O-CG 3.44Å; R323-K327 PolarHBondContact O-N 2.9Å; R323-K327 VanDerWaalsContact O-N 3.08Å
324	Q	98.5	Very high	98.2	Very high	77 Å²	77	47.9 Å²	47.9	36%	0.36	23%	0.227	S	C	.	.	H	α-helix	trans	-72.3	-37.3	178.8	-66.4	-66.6	1.4	0	0	111.5	F319 S321 K327 Y328	F319-Q324 HydrophobicContact CB-CB 4.17Å; F319-Q324 HydrophobicContact CD1-CB 4.37Å; S321-Q324 PolarHBondContact O-N 2.64Å; S321-Q324 PolarHBondContact OG-N 3.44Å; Q324-K327 PolarHBondContact O-N 3.46Å; Q324-Y328 PolarHBondContact O-N 3.02Å
325	L	98.8	Very high	98.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58	-48.8	168.6	173	64.6	0	0	0	110.7	Y230 L234 V295 I314 V316 F319 S321 P322 K327 Y328 L329	Y230-L325 HydrophobicContact CE1-CD2 3.76Å; L234-L325 HydrophobicContact CD1-CB 4.47Å; L234-L325 HydrophobicContact CD1-CD2 4.05Å; L234-L325 HydrophobicContact CD1-CG 4.2Å; L234-L325 HydrophobicContact CD2-CD2 4.13Å; V295-L325 HydrophobicContact CG1-CD1 4.23Å; V295-L325 HydrophobicContact CG1-CD2 3.92Å; I314-L325 HydrophobicContact CG2-CD1 3.81Å; V316-L325 HydrophobicContact CG1-CD2 4.19Å; F319-L325 HydrophobicContact CB-CB 4.21Å; F319-L325 HydrophobicContact CD1-CB 4.49Å; F319-L325 HydrophobicContact CD2-CB 3.94Å; F319-L325 HydrophobicContact CD2-CD1 3.67Å; F319-L325 HydrophobicContact CD2-CG 4.36Å; F319-L325 HydrophobicContact CE2-CD1 3.5Å; F319-L325 VanDerWaalsContact CE2-CD1 3.5Å; F319-L325 HydrophobicContact CG-CB 3.92Å; F319-L325 HydrophobicContact CG-CD1 4.4Å; F319-L325 HydrophobicContact CZ-CD1 4.09Å; S321-L325 PolarHBondContact O-N 3.12Å; S321-L325 VanDerWaalsContact O-N 3.1Å; P322-L325 PolarHBondContact O-N 2.95Å; L325-K327 VanDerWaalsContact C-N 3.3Å; L325-K327 PolarHBondContact O-N 3.37Å; L325-Y328 WeakPolarHBondContact O-CB 3.14Å; L325-Y328 PolarHBondContact O-N 2.86Å; L325-L329 HydrophobicContact CD1-CD1 4.29Å; L325-L329 HydrophobicContact CD1-CD2 4.15Å; L325-L329 HydrophobicContact CD1-CG 4.04Å; L325-L329 HydrophobicContact CG-CD1 4.13Å; L325-L329 HydrophobicContact CG-CG 4.23Å; L325-L329 WeakPolarHBondContact O-CG 3.05Å; L325-L329 PolarHBondContact O-N 3.02Å
326	A	98.8	Very high	97.9	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.008	26%	0.26	C	S	.	.	H	α-helix	trans	-56.9	-41	178.6	0	0	0	0	0	112.7	L234 Y237 I238 P322 R323 Y328 L329 H330	L234-A326 HydrophobicContact CD1-CB 3.9Å; Y237-A326 VanDerWaalsContact CB-CB 3.44Å; Y237-A326 HydrophobicContact CG-CB 4.46Å; I238-A326 HydrophobicContact CB-CB 4.22Å; I238-A326 HydrophobicContact CG2-CB 4.06Å; P322-A326 WeakPolarHBondContact O-CB 3.11Å; P322-A326 PolarHBondContact O-N 3.45Å; R323-A326 PolarHBondContact O-N 3.49Å; A326-Y328 VanDerWaalsContact C-N 3.32Å; A326-Y328 PolarHBondContact O-N 2.04Å; A326-L329 PolarHBondContact O-N 2.84Å; A326-H330 PolarHBondContact O-CD2 3.4Å; A326-H330 PolarHBondContact O-N 2.93Å
327	K	98.8	Very high	97.7	Very high	109 Å²	109	59.1 Å²	59.1	47%	0.474	29%	0.287	S	S	.	.	H	α-helix	trans	-59.4	-42.3	174.3	-72.5	-175.1	-174.8	179.7	0	112.2	R323 Q324 L325 H330 Y331	R323-K327 WeakPolarHBondContact O-CG 3.44Å; R323-K327 PolarHBondContact O-N 2.9Å; R323-K327 VanDerWaalsContact O-N 3.08Å; Q324-K327 PolarHBondContact O-N 3.46Å; L325-K327 VanDerWaalsContact C-N 3.3Å; L325-K327 PolarHBondContact O-N 3.37Å; K327-H330 PolarHBondContact O-N 3.44Å; K327-Y331 PolarHBondContact O-N 2.98Å
328	Y	98.9	Very high	97.6	Very high	68 Å²	68	57.7 Å²	57.7	27%	0.267	28%	0.281	S	S	.	.	H	α-helix	trans	-68.4	-39.6	177.5	-174	-112.6	0	0	0	112.3	I314 F319 Q324 L325 A326 H330 Y331 L332 Y342	I314-Y328 HydrophobicContact CD1-CD1 4.16Å; I314-Y328 HydrophobicContact CD1-CE1 3.84Å; I314-Y328 HydrophobicContact CG1-CE1 4.2Å; I314-Y328 HydrophobicContact CG2-CD1 4.45Å; F319-Y328 VanDerWaalsContact CE1-CB 3.45Å; F319-Y328 AromaticContact CE1-CD1 3.98Å; F319-Y328 HydrophobicContact CE1-CD1 3.98Å; F319-Y328 HydrophobicContact CE1-CD2 4.5Å; F319-Y328 AromaticContact CE1-CG 3.73Å; F319-Y328 HydrophobicContact CE1-CG 3.73Å; F319-Y328 HydrophobicContact CE2-CD1 4.48Å; F319-Y328 AromaticContact CZ-CD1 3.45Å; F319-Y328 HydrophobicContact CZ-CD1 3.45Å; F319-Y328 VanDerWaalsContact CZ-CD1 3.45Å; F319-Y328 HydrophobicContact CZ-CE1 4.18Å; F319-Y328 AromaticContact CZ-CG 3.72Å; F319-Y328 HydrophobicContact CZ-CG 3.72Å; Q324-Y328 PolarHBondContact O-N 3.02Å; L325-Y328 WeakPolarHBondContact O-CB 3.14Å; L325-Y328 PolarHBondContact O-N 2.86Å; A326-Y328 VanDerWaalsContact C-N 3.32Å; A326-Y328 PolarHBondContact O-N 2.04Å; Y328-H330 VanDerWaalsContact C-N 3.34Å; Y328-H330 PolarHBondContact O-N 3.16Å; Y328-Y331 AromaticContact CD2-CD1 3.98Å; Y328-Y331 HydrophobicContact CD2-CD1 3.98Å; Y328-Y331 AromaticContact CE2-CD1 3.82Å; Y328-Y331 HydrophobicContact CE2-CD1 3.82Å; Y328-Y331 HydrophobicContact CE2-CE1 4.1Å; Y328-Y331 WeakPolarHBondContact O-CB 3.28Å; Y328-Y331 PolarHBondContact O-N 3.28Å; Y328-L332 HydrophobicContact CD1-CD1 4.03Å; Y328-L332 HydrophobicContact CD1-CG 4.5Å; Y328-L332 HydrophobicContact CE1-CD1 3.52Å; Y328-L332 HydrophobicContact CE1-CG 4.11Å; Y328-L332 HydrophobicContact CE2-CG 4.49Å; Y328-L332 PolarHBondContact O-N 3.06Å; Y328-Y342 WeakPolarHBondContact CE1-OH 3.01Å; Y328-Y342 PolarHBondContact OH-OH 2.85Å
329	L	98.8	Very high	97.6	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.6	-39.1	174.2	-61.4	-175.4	0	0	0	111.8	V214 I238 F266 V295 I314 L325 A326 L332 D333	V214-L329 HydrophobicContact CG2-CD1 3.99Å; I238-L329 HydrophobicContact CD1-CB 3.6Å; I238-L329 HydrophobicContact CD1-CD1 4.28Å; F266-L329 HydrophobicContact CD1-CD2 3.72Å; F266-L329 HydrophobicContact CD2-CB 4.4Å; F266-L329 HydrophobicContact CD2-CD2 4.34Å; F266-L329 HydrophobicContact CE1-CD2 3.8Å; F266-L329 HydrophobicContact CE2-CB 4.09Å; F266-L329 HydrophobicContact CE2-CD2 4.41Å; F266-L329 HydrophobicContact CG-CD2 4.03Å; F266-L329 HydrophobicContact CZ-CB 4.31Å; F266-L329 HydrophobicContact CZ-CD2 4.16Å; F266-L329 WeakPolarHBondContact CZ-O 3.25Å; V295-L329 HydrophobicContact CG2-CD1 4.48Å; V295-L329 HydrophobicContact CG2-CD2 4.04Å; I314-L329 HydrophobicContact CD1-CD2 3.81Å; L325-L329 HydrophobicContact CD1-CD1 4.29Å; L325-L329 HydrophobicContact CD1-CD2 4.15Å; L325-L329 HydrophobicContact CD1-CG 4.04Å; L325-L329 HydrophobicContact CG-CD1 4.13Å; L325-L329 HydrophobicContact CG-CG 4.23Å; L325-L329 WeakPolarHBondContact O-CG 3.05Å; L325-L329 PolarHBondContact O-N 3.02Å; A326-L329 PolarHBondContact O-N 2.84Å; L329-L332 PolarHBondContact O-N 3.36Å; L329-D333 VanDerWaalsContact O-CB 3.26Å; L329-D333 WeakPolarHBondContact O-CB 3.37Å; L329-D333 PolarHBondContact O-N 2.77Å
330	H	98.6	Very high	97.4	Very high	71 Å²	71	52.1 Å²	52.1	33%	0.329	26%	0.256	S	S	.	.	H	α-helix	trans	-64.4	-38.8	172.3	-79	-56.3	0	0	0	112.6	Y237 A326 K327 Y328 D333 N334	Y237-H330 PolarHBondContact O-NE2 3.01Å; A326-H330 PolarHBondContact O-CD2 3.4Å; A326-H330 PolarHBondContact O-N 2.93Å; K327-H330 PolarHBondContact O-N 3.44Å; Y328-H330 VanDerWaalsContact C-N 3.34Å; Y328-H330 PolarHBondContact O-N 3.16Å; H330-D333 PolarHBondContact O-N 2.87Å; H330-N334 PolarHBondContact O-N 3.42Å; H330-N334 VanDerWaalsContact O-N 3.08Å; H330-N334 PolarHBondContact O-ND2 2.96Å
331	Y	98.6	Very high	97.3	Very high	116 Å²	116	53.7 Å²	53.7	46%	0.455	26%	0.255	S	S	.	.	H	α-helix	trans	-59.4	-49.7	173	159.3	-102.4	0	0	0	111.3	K327 Y328 D333 N334 N335 A338	K327-Y331 PolarHBondContact O-N 2.98Å; Y328-Y331 AromaticContact CD2-CD1 3.98Å; Y328-Y331 HydrophobicContact CD2-CD1 3.98Å; Y328-Y331 AromaticContact CE2-CD1 3.82Å; Y328-Y331 HydrophobicContact CE2-CD1 3.82Å; Y328-Y331 HydrophobicContact CE2-CE1 4.1Å; Y328-Y331 WeakPolarHBondContact O-CB 3.28Å; Y328-Y331 PolarHBondContact O-N 3.28Å; Y331-D333 VanDerWaalsContact C-N 3.33Å; Y331-D333 PolarHBondContact O-N 3.22Å; Y331-N334 PolarHBondContact O-N 3.14Å; Y331-N335 HydrophobicContact CD2-CB 4.41Å; Y331-N335 HydrophobicContact CE2-CB 4.09Å; Y331-N335 VanDerWaalsContact O-CB 3.23Å; Y331-N335 WeakPolarHBondContact O-CB 3.1Å; Y331-N335 PolarHBondContact O-N 2.73Å; Y331-A338 HydrophobicContact CE1-CB 3.9Å; Y331-A338 WeakPolarHBondContact OH-CB 3.48Å
332	L	98.1	Very high	97.3	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-65.8	-35.8	177.6	-68.8	180	0	0	0	112.2	F266 I314 Y328 L329 N334 N335 A338 Y342	F266-L332 HydrophobicContact CE1-CB 4Å; F266-L332 HydrophobicContact CE1-CD1 3.93Å; F266-L332 HydrophobicContact CZ-CB 3.7Å; F266-L332 HydrophobicContact CZ-CD1 4.44Å; I314-L332 HydrophobicContact CD1-CD1 3.57Å; Y328-L332 HydrophobicContact CD1-CD1 4.03Å; Y328-L332 HydrophobicContact CD1-CG 4.5Å; Y328-L332 HydrophobicContact CE1-CD1 3.52Å; Y328-L332 HydrophobicContact CE1-CG 4.11Å; Y328-L332 HydrophobicContact CE2-CG 4.49Å; Y328-L332 PolarHBondContact O-N 3.06Å; L329-L332 PolarHBondContact O-N 3.36Å; L332-N334 VanDerWaalsContact C-N 3.3Å; L332-N334 PolarHBondContact O-N 3.48Å; L332-N335 PolarHBondContact O-N 3.08Å; L332-A338 HydrophobicContact CD2-CB 3.85Å; L332-Y342 HydrophobicContact CD1-CD2 4.45Å; L332-Y342 HydrophobicContact CD1-CE2 3.79Å; L332-Y342 HydrophobicContact CD2-CD2 4.46Å; L332-Y342 HydrophobicContact CD2-CE2 3.92Å
333	D	97	Very high	97.2	Very high	31 Å²	31	53.9 Å²	53.9	17%	0.166	25%	0.251	C	S	.	.	H	α-helix	trans	-60.1	-40.6	176	-174.3	46.7	0	0	0	111.7	K265 F266 L329 H330 Y331	K265-D333 WeakPolarHBondContact CD-OD1 3.36Å; K265-D333 VanDerWaalsContact CE-OD1 3.3Å; K265-D333 WeakPolarHBondContact CE-OD1 3.47Å; K265-D333 PolarHBondContact NZ-O 3.1Å; K265-D333 IonicContact NZ-OD1 3.64Å; K265-D333 PolarHBondContact NZ-OD1 3.44Å; F266-D333 HydrophobicContact CE2-CB 4.42Å; L329-D333 VanDerWaalsContact O-CB 3.26Å; L329-D333 WeakPolarHBondContact O-CB 3.37Å; L329-D333 PolarHBondContact O-N 2.77Å; H330-D333 PolarHBondContact O-N 2.87Å; Y331-D333 VanDerWaalsContact C-N 3.33Å; Y331-D333 PolarHBondContact O-N 3.22Å
334	N	96.3	Very high	96.9	Very high	125 Å²	125	50.9 Å²	50.9	67%	0.668	24%	0.244	S	C	*	.	H	α-helix	trans	-92.1	-9.1	-178.4	-67	-70.9	0	0	0	114.3	H330 Y331 L332	H330-N334 PolarHBondContact O-N 3.42Å; H330-N334 VanDerWaalsContact O-N 3.08Å; H330-N334 PolarHBondContact O-ND2 2.96Å; Y331-N334 PolarHBondContact O-N 3.14Å; L332-N334 VanDerWaalsContact C-N 3.3Å; L332-N334 PolarHBondContact O-N 3.48Å
335	N	96.6	Very high	96.7	Very high	52 Å²	52	48.2 Å²	48.2	28%	0.278	23%	0.231	S	C	.	.			trans	-116	94.9	179.2	-171.7	-29.8	0	0	0	110.7	Y331 L332 T337 A338 F339	Y331-N335 HydrophobicContact CD2-CB 4.41Å; Y331-N335 HydrophobicContact CE2-CB 4.09Å; Y331-N335 VanDerWaalsContact O-CB 3.23Å; Y331-N335 WeakPolarHBondContact O-CB 3.1Å; Y331-N335 PolarHBondContact O-N 2.73Å; L332-N335 PolarHBondContact O-N 3.08Å; N335-T337 VanDerWaalsContact C-N 3.29Å; N335-T337 PolarHBondContact O-N 2.73Å; N335-T337 PolarHBondContact OD1-N 3.38Å; N335-A338 HydrophobicContact CB-CB 4.07Å; N335-A338 PolarHBondContact O-N 3.47Å; N335-A338 PolarHBondContact OD1-N 3.33Å; N335-F339 WeakPolarHBondContact O-CB 3.38Å; N335-F339 PolarHBondContact O-N 2.82Å
336	H	94.4	Very high	96.4	Very high	90 Å²	90	49.6 Å²	49.6	42%	0.417	24%	0.238	S	C	.	.	H	α-helix	trans	-62.1	-35.4	-175.8	-73	-146.3	0	0	0	112.8	S207 N340	S207-H336 WeakPolarHBondContact OG-CB 3.41Å; S207-H336 PolarHBondContact OG-ND1 2.76Å; H336-N340 VanDerWaalsContact O-CB 3.29Å; H336-N340 WeakPolarHBondContact O-CB 3.08Å; H336-N340 PolarHBondContact O-N 3.17Å; H336-N340 PolarHBondContact O-ND2 2.97Å
337	T	94.8	Very high	95.8	Very high	96 Å²	96	51.2 Å²	51.2	59%	0.589	25%	0.246	S	C	*	.	H	α-helix	trans	-65	-55.1	177.7	-56	0	0	0	0	110.3	N335 F339 N340 E341	N335-T337 VanDerWaalsContact C-N 3.29Å; N335-T337 PolarHBondContact O-N 2.73Å; N335-T337 PolarHBondContact OD1-N 3.38Å; T337-F339 VanDerWaalsContact C-N 3.28Å; T337-F339 PolarHBondContact O-N 3.21Å; T337-N340 PolarHBondContact O-N 3.42Å; T337-N340 VanDerWaalsContact O-N 3.12Å; T337-E341 WeakPolarHBondContact O-CG 3.32Å; T337-E341 PolarHBondContact O-N 3.1Å; T337-E341 VanDerWaalsContact O-N 3.08Å
338	A	96.1	Very high	95.3	Very high	6 Å²	6	49.8 Å²	49.8	5%	0.05	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-35.6	179.9	0	0	0	0	0	112.5	Y331 L332 N335 Y342	Y331-A338 HydrophobicContact CE1-CB 3.9Å; Y331-A338 WeakPolarHBondContact OH-CB 3.48Å; L332-A338 HydrophobicContact CD2-CB 3.85Å; N335-A338 HydrophobicContact CB-CB 4.07Å; N335-A338 PolarHBondContact O-N 3.47Å; N335-A338 PolarHBondContact OD1-N 3.33Å; A338-Y342 WeakPolarHBondContact O-CD2 3.22Å
339	F	97.3	Very high	95.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.6	-48.5	173	176.9	-89.4	0	0	0	112.2	I206 K265 F266 I293 N335 T337 E341 Y342 F343	I206-F339 HydrophobicContact CB-CE1 4.26Å; I206-F339 HydrophobicContact CG2-CE1 4.02Å; K265-F339 HydrophobicContact CB-CD2 4.28Å; K265-F339 HydrophobicContact CB-CE2 3.48Å; K265-F339 VanDerWaalsContact CB-CE2 3.48Å; K265-F339 HydrophobicContact CB-CZ 3.96Å; K265-F339 HydrophobicContact CD-CD2 4.31Å; K265-F339 HydrophobicContact CD-CE2 4.18Å; K265-F339 HydrophobicContact CG-CD2 4.38Å; K265-F339 HydrophobicContact CG-CE2 3.76Å; K265-F339 HydrophobicContact CG-CZ 3.93Å; F266-F339 HydrophobicContact CE1-CD2 4.26Å; F266-F339 HydrophobicContact CE1-CE2 4.27Å; F266-F339 HydrophobicContact CZ-CD2 4.34Å; I293-F339 HydrophobicContact CD1-CD2 3.46Å; I293-F339 VanDerWaalsContact CD1-CD2 3.46Å; I293-F339 HydrophobicContact CD1-CE2 3.42Å; I293-F339 VanDerWaalsContact CD1-CE2 3.42Å; I293-F339 HydrophobicContact CD1-CG 4.27Å; I293-F339 HydrophobicContact CD1-CZ 4.26Å; I293-F339 HydrophobicContact CG1-CD2 4.38Å; I293-F339 HydrophobicContact CG1-CE2 3.86Å; I293-F339 HydrophobicContact CG1-CZ 4.35Å; N335-F339 WeakPolarHBondContact O-CB 3.38Å; N335-F339 PolarHBondContact O-N 2.82Å; T337-F339 VanDerWaalsContact C-N 3.28Å; T337-F339 PolarHBondContact O-N 3.21Å; F339-E341 PolarHBondContact O-N 2.04Å; F339-Y342 WeakPolarHBondContact O-CB 3.4Å; F339-Y342 PolarHBondContact O-N 3.48Å; F339-F343 HydrophobicContact CD1-CE2 4.06Å; F339-F343 HydrophobicContact CE1-CD2 4.25Å; F339-F343 AromaticContact CE1-CE2 3.46Å; F339-F343 HydrophobicContact CE1-CE2 3.46Å; F339-F343 VanDerWaalsContact CE1-CE2 3.46Å; F339-F343 HydrophobicContact CE1-CZ 4.24Å; F339-F343 HydrophobicContact CE2-CE2 4.2Å; F339-F343 AromaticContact CZ-CE2 3.54Å; F339-F343 HydrophobicContact CZ-CE2 3.54Å; F339-F343 AromaticContact CZ-CZ 3.95Å; F339-F343 HydrophobicContact CZ-CZ 3.95Å
340	N	95.7	Very high	94.8	Very high	12 Å²	12	54.1 Å²	54.1	6%	0.064	26%	0.258	C	S	.	.	H	α-helix	trans	-67.2	-25.9	-175.5	-73.4	-27	0	0	0	112	P203 R204 N205 I206 S207 H336 T337 Y342 F343	P203-N340 HydrophobicContact CB-CB 4.01Å; P203-N340 WeakPolarHBondContact CB-O 3.41Å; P203-N340 HydrophobicContact CG-CB 4Å; R204-N340 PolarHBondContact O-OD1 2.9Å; N205-N340 PolarHBondContact OD1-ND2 3.12Å; N205-N340 VanDerWaalsContact OD1-ND2 3.08Å; I206-N340 PolarHBondContact N-OD1 3.47Å; I206-N340 VanDerWaalsContact N-OD1 3.17Å; S207-N340 PolarHBondContact N-OD1 2.9Å; S207-N340 PolarHBondContact OG-ND2 2.93Å; S207-N340 VanDerWaalsContact OG-ND2 3.1Å; S207-N340 PolarHBondContact OG-OD1 3.4Å; H336-N340 VanDerWaalsContact O-CB 3.29Å; H336-N340 WeakPolarHBondContact O-CB 3.08Å; H336-N340 PolarHBondContact O-N 3.17Å; H336-N340 PolarHBondContact O-ND2 2.97Å; T337-N340 PolarHBondContact O-N 3.42Å; T337-N340 VanDerWaalsContact O-N 3.12Å; N340-Y342 PolarHBondContact O-N 2.85Å; N340-F343 PolarHBondContact O-N 3.46Å; N340-F343 VanDerWaalsContact O-N 3.09Å
341	E	94.9	Very high	94.7	Very high	104 Å²	104	51.7 Å²	51.7	49%	0.486	25%	0.248	S	C	.	.	H	α-helix	trans	-57.9	-30.5	174.2	-75.8	172.1	-179.2	0	0	113.6	T337 F339 F343 I344	T337-E341 WeakPolarHBondContact O-CG 3.32Å; T337-E341 PolarHBondContact O-N 3.1Å; T337-E341 VanDerWaalsContact O-N 3.08Å; F339-E341 PolarHBondContact O-N 2.04Å; E341-F343 PolarHBondContact O-N 3.48Å; E341-I344 HydrophobicContact CB-CD1 4.18Å; E341-I344 HydrophobicContact CG-CD1 4.15Å; E341-I344 WeakPolarHBondContact O-CG1 3.47Å; E341-I344 PolarHBondContact O-N 2.9Å
342	Y	97	Very high	94.7	Very high	30 Å²	30	49.2 Å²	49.2	12%	0.118	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-5.8	176.2	-83.9	-95.2	0	0	0	114.4	I293 N311 I314 Y328 L332 A338 F339 N340 W345	I293-Y342 HydrophobicContact CD1-CD1 4.2Å; I293-Y342 HydrophobicContact CD1-CD2 3.79Å; I293-Y342 HydrophobicContact CD1-CG 3.6Å; I293-Y342 HydrophobicContact CG1-CD1 4.45Å; I293-Y342 HydrophobicContact CG1-CG 4.13Å; I293-Y342 HydrophobicContact CG2-CD1 3.83Å; I293-Y342 HydrophobicContact CG2-CE1 4.18Å; I293-Y342 HydrophobicContact CG2-CG 4.31Å; N311-Y342 WeakPolarHBondContact O-CA 3.49Å; N311-Y342 VanDerWaalsContact O-CD1 3.26Å; N311-Y342 WeakPolarHBondContact O-CD1 3.19Å; I314-Y342 HydrophobicContact CD1-CE1 4.32Å; I314-Y342 HydrophobicContact CG1-CE1 3.7Å; Y328-Y342 WeakPolarHBondContact CE1-OH 3.01Å; Y328-Y342 PolarHBondContact OH-OH 2.85Å; L332-Y342 HydrophobicContact CD1-CD2 4.45Å; L332-Y342 HydrophobicContact CD1-CE2 3.79Å; L332-Y342 HydrophobicContact CD2-CD2 4.46Å; L332-Y342 HydrophobicContact CD2-CE2 3.92Å; A338-Y342 WeakPolarHBondContact O-CD2 3.22Å; F339-Y342 WeakPolarHBondContact O-CB 3.4Å; F339-Y342 PolarHBondContact O-N 3.48Å; N340-Y342 PolarHBondContact O-N 2.85Å; Y342-W345 PolarHBondContact O-NE1 3.17Å
343	F	95	Very high	94.6	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.026	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	1.9	-178.1	-60.4	-81.7	0	0	0	113.7	I206 D291 I293 F339 N340 E341 W345 Q346	I206-F343 HydrophobicContact CD1-CB 3.65Å; I206-F343 HydrophobicContact CD1-CD1 3.71Å; I206-F343 HydrophobicContact CD1-CD2 3.82Å; I206-F343 HydrophobicContact CD1-CE1 4.3Å; I206-F343 HydrophobicContact CD1-CE2 4.39Å; I206-F343 HydrophobicContact CD1-CG 3.43Å; I206-F343 VanDerWaalsContact CD1-CG 3.43Å; D291-F343 VanDerWaalsContact C-CE1 3.41Å; I293-F343 HydrophobicContact CD1-CE2 4.15Å; I293-F343 HydrophobicContact CD1-CZ 4.5Å; I293-F343 HydrophobicContact CG1-CE2 3.67Å; I293-F343 HydrophobicContact CG1-CZ 3.56Å; F339-F343 HydrophobicContact CD1-CE2 4.06Å; F339-F343 HydrophobicContact CE1-CD2 4.25Å; F339-F343 AromaticContact CE1-CE2 3.46Å; F339-F343 HydrophobicContact CE1-CE2 3.46Å; F339-F343 VanDerWaalsContact CE1-CE2 3.46Å; F339-F343 HydrophobicContact CE1-CZ 4.24Å; F339-F343 HydrophobicContact CE2-CE2 4.2Å; F339-F343 AromaticContact CZ-CE2 3.54Å; F339-F343 HydrophobicContact CZ-CE2 3.54Å; F339-F343 AromaticContact CZ-CZ 3.95Å; F339-F343 HydrophobicContact CZ-CZ 3.95Å; N340-F343 PolarHBondContact O-N 3.46Å; N340-F343 VanDerWaalsContact O-N 3.09Å; E341-F343 PolarHBondContact O-N 3.48Å; F343-W345 PolarHBondContact O-N 3.2Å; F343-W345 VanDerWaalsContact O-N 3.14Å; F343-Q346 WeakPolarHBondContact O-CB 3.46Å; F343-Q346 PolarHBondContact O-N 2.77Å
344	I	92.4	Very high	94.6	Very high	73 Å²	73	54.1 Å²	54.1	37%	0.374	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-54.4	-35.7	176.9	-68.8	170.2	0	0	0	111.1	P203 E341 Q346 N347	P203-I344 HydrophobicContact CB-CG1 3.96Å; P203-I344 HydrophobicContact CG-CG1 4.25Å; E341-I344 HydrophobicContact CB-CD1 4.18Å; E341-I344 HydrophobicContact CG-CD1 4.15Å; E341-I344 WeakPolarHBondContact O-CG1 3.47Å; E341-I344 PolarHBondContact O-N 2.9Å; I344-Q346 PolarHBondContact O-N 3.29Å; I344-Q346 VanDerWaalsContact O-N 3.12Å; I344-N347 WeakPolarHBondContact O-CB 3.23Å; I344-N347 PolarHBondContact O-N 3.34Å
345	W	93.5	Very high	94.5	Very high	21 Å²	21	49.9 Å²	49.9	8%	0.08	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-57.1	-27.8	179.2	68.9	-98.1	0	0	0	113.5	L288 P309 S312 Y342 F343 N347 K348 W349 V351	L288-W345 HydrophobicContact CB-CH2 4.06Å; L288-W345 HydrophobicContact CB-CZ2 4.15Å; L288-W345 HydrophobicContact CD2-CH2 4.33Å; L288-W345 HydrophobicContact CD2-CZ2 3.71Å; L288-W345 HydrophobicContact CG-CZ2 4.46Å; P309-W345 HydrophobicContact CB-CB 3.57Å; P309-W345 HydrophobicContact CB-CD2 3.63Å; P309-W345 HydrophobicContact CB-CE3 3.8Å; P309-W345 HydrophobicContact CB-CG 3.55Å; P309-W345 HydrophobicContact CG-CD2 3.59Å; P309-W345 HydrophobicContact CG-CE3 3.49Å; P309-W345 VanDerWaalsContact CG-CE3 3.49Å; P309-W345 HydrophobicContact CG-CG 4.07Å; P309-W345 HydrophobicContact CG-CH2 4.37Å; P309-W345 HydrophobicContact CG-CZ2 4.47Å; P309-W345 HydrophobicContact CG-CZ3 3.9Å; S312-W345 VanDerWaalsContact CB-CD1 3.46Å; Y342-W345 PolarHBondContact O-NE1 3.17Å; F343-W345 PolarHBondContact O-N 3.2Å; F343-W345 VanDerWaalsContact O-N 3.14Å; W345-N347 PolarHBondContact O-N 2.97Å; W345-N347 VanDerWaalsContact O-N 3.12Å; W345-K348 PolarHBondContact O-N 3.04Å; W345-W349 HydrophobicContact CE3-CB 4.02Å; W345-W349 HydrophobicContact CZ3-CB 4.48Å; W345-W349 PolarHBondContact O-N 3.22Å; W345-V351 HydrophobicContact CH2-CG2 4.15Å; W345-V351 HydrophobicContact CZ3-CG2 4.3Å
346	Q	92.2	Very high	94.5	Very high	29 Å²	29	49.6 Å²	49.6	14%	0.136	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-65	-18.8	-176.8	-66.3	-178.1	-32.1	0	0	113.3	D291 F343 I344 K348	D291-Q346 PolarHBondContact OD1-NE2 3.37Å; D291-Q346 PolarHBondContact OD1-OE1 3.17Å; F343-Q346 WeakPolarHBondContact O-CB 3.46Å; F343-Q346 PolarHBondContact O-N 2.77Å; I344-Q346 PolarHBondContact O-N 3.29Å; I344-Q346 VanDerWaalsContact O-N 3.12Å; Q346-K348 VanDerWaalsContact C-N 3.32Å
347	N	87	Confident	94.6	Very high	36 Å²	36	50.6 Å²	50.6	19%	0.193	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-66.9	-37.1	174.3	-63.5	-19.1	0	0	0	111.4	Y180 F200 I344 W345	Y180-N347 WeakPolarHBondContact CD2-O 3.39Å; F200-N347 PolarHBondContact O-ND2 3.06Å; I344-N347 WeakPolarHBondContact O-CB 3.23Å; I344-N347 PolarHBondContact O-N 3.34Å; W345-N347 PolarHBondContact O-N 2.97Å; W345-N347 VanDerWaalsContact O-N 3.12Å
348	K	88.7	Confident	94.7	Very high	79 Å²	79	46.5 Å²	46.5	34%	0.343	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-26.7	-172.4	-178.5	171.8	-178.6	174.1	0	113.4	E176 N177 Y180 W345 Q346	E176-K348 CarbonylContact C-O 3.48Å; E176-K348 WeakPolarHBondContact CA-O 3.23Å; E176-K348 HydrophobicContact CG-CG 4.34Å; E176-K348 WeakPolarHBondContact OE1-CE 3.29Å; E176-K348 IonicContact OE1-NZ 3.4Å; N177-K348 WeakPolarHBondContact CB-O 3.33Å; N177-K348 PolarHBondContact N-O 3.03Å; Y180-K348 HydrophobicContact CD1-CG 4.41Å; Y180-K348 HydrophobicContact CE1-CG 4.39Å; W345-K348 PolarHBondContact O-N 3.04Å; Q346-K348 VanDerWaalsContact C-N 3.32Å
349	W	93.4	Very high	94.8	Very high	74 Å²	74	46.4 Å²	46.4	28%	0.28	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	151.1	-170.4	-46.3	93.6	0	0	0	112.8	V174 I175 E176 W345	V174-W349 HydrophobicContact CG1-CB 3.61Å; V174-W349 HydrophobicContact CG1-CD2 4.05Å; V174-W349 HydrophobicContact CG1-CE3 3.87Å; V174-W349 HydrophobicContact CG1-CG 3.97Å; I175-W349 CarbonylContact O-C 3.58Å; I175-W349 WeakPolarHBondContact O-CA 3.46Å; E176-W349 HydrophobicContact CB-CE3 4.38Å; E176-W349 HydrophobicContact CB-CZ3 4.32Å; W345-W349 HydrophobicContact CE3-CB 4.02Å; W345-W349 HydrophobicContact CZ3-CB 4.48Å; W345-W349 PolarHBondContact O-N 3.22Å
350	K	94.1	Very high	94.8	Very high	85 Å²	85	47.4 Å²	47.4	37%	0.37	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	153.6	170.1	63.8	-179.5	177.9	179.7	0	110.8	V174 I175	V174-K350 WeakPolarHBondContact CA-O 3.38Å; I175-K350 HydrophobicContact CD1-CD 4.41Å; I175-K350 HydrophobicContact CD1-CG 4.26Å; I175-K350 HydrophobicContact CG1-CD 4.34Å; I175-K350 HydrophobicContact CG1-CG 3.67Å; I175-K350 PolarHBondContact N-O 2.04Å; I175-K350 PolarHBondContact O-N 3.32Å
351	V	96.7	Very high	94.9	Very high	19 Å²	19	47.5 Å²	47.5	12%	0.115	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.4	179.3	-179.5	0	0	0	0	109.5	V174 F284 L288 M289 W345	V174-V351 HydrophobicContact CG2-CG2 4.48Å; F284-V351 HydrophobicContact CB-CG1 3.9Å; F284-V351 HydrophobicContact CD1-CG1 4.01Å; F284-V351 HydrophobicContact CG-CG1 4.4Å; L288-V351 HydrophobicContact CB-CG2 3.88Å; L288-V351 HydrophobicContact CD1-CG2 4.1Å; M289-V351 HydrophobicContact CG-CB 3.85Å; M289-V351 HydrophobicContact CG-CG1 3.99Å; M289-V351 HydrophobicContact SD-CB 4.44Å; M289-V351 HydrophobicContact SD-CG1 4.16Å; W345-V351 HydrophobicContact CH2-CG2 4.15Å; W345-V351 HydrophobicContact CZ3-CG2 4.3Å
352	L	97	Very high	95.1	Very high	64 Å²	64	42.6 Å²	42.6	34%	0.335	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	142.5	166.8	-60.8	-175.3	0	0	0	109.4	G172 K173 I175 P355	G172-L352 CarbonylContact C-O 3.58Å; G172-L352 WeakPolarHBondContact CA-O 3.09Å; K173-L352 PolarHBondContact N-O 2.91Å; K173-L352 PolarHBondContact O-N 3.05Å; I175-L352 HydrophobicContact CD1-CD1 3.48Å; I175-L352 VanDerWaalsContact CD1-CD1 3.48Å; I175-L352 HydrophobicContact CD1-CD2 4.34Å; I175-L352 HydrophobicContact CD1-CG 3.86Å; I175-L352 HydrophobicContact CG1-CD1 4.14Å; I175-L352 HydrophobicContact CG1-CG 4.11Å; I175-L352 HydrophobicContact CG2-CD1 4.46Å; L352-P355 HydrophobicContact CB-CB 4.04Å; L352-P355 HydrophobicContact CD1-CB 4.33Å
353	L	96.8	Very high	95.2	Very high	51 Å²	51	41.1 Å²	41.1	27%	0.267	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	141.4	172.6	-63.8	177.1	0	0	0	109.9	Y171 F284 K285 M289 P355	Y171-L353 WeakPolarHBondContact O-CA 3.34Å; F284-L353 HydrophobicContact CB-CD2 3.62Å; K285-L353 HydrophobicContact CB-CD1 3.68Å; K285-L353 HydrophobicContact CB-CD2 3.85Å; K285-L353 HydrophobicContact CB-CG 4.42Å; K285-L353 HydrophobicContact CD-CD1 4.02Å; K285-L353 HydrophobicContact CG-CD1 3.65Å; M289-L353 HydrophobicContact CE-CD1 4.4Å; M289-L353 HydrophobicContact SD-CD1 3.7Å; M289-L353 HydrophobicContact SD-CD2 4.04Å; M289-L353 HydrophobicContact SD-CG 3.68Å; L353-P355 VanDerWaalsContact C-N 3.28Å
354	F	96.1	Very high	95.3	Very high	84 Å²	84	41.2 Å²	41.2	37%	0.368	19%	0.194	S	C	.	.	S	Bend	trans	40	56.5	-176.5	-55.1	-76.4	0	0	0	111.6	V87 Y139 Y171 E356	V87-F354 HydrophobicContact CG1-CD1 4.33Å; V87-F354 HydrophobicContact CG1-CE1 4.44Å; V87-F354 HydrophobicContact CG2-CE1 3.89Å; Y139-F354 HydrophobicContact CD1-CE1 4.21Å; Y139-F354 AromaticContact CE1-CD1 3.81Å; Y139-F354 HydrophobicContact CE1-CD1 3.81Å; Y139-F354 AromaticContact CE1-CE1 3.89Å; Y139-F354 HydrophobicContact CE1-CE1 3.89Å; Y171-F354 AromaticContact CD1-CE1 3.6Å; Y171-F354 HydrophobicContact CD1-CE1 3.6Å; Y171-F354 AromaticContact CD1-CZ 3.72Å; Y171-F354 HydrophobicContact CD1-CZ 3.72Å; Y171-F354 HydrophobicContact CE1-CE1 4.05Å; Y171-F354 HydrophobicContact CE1-CZ 4.19Å; Y171-F354 HydrophobicContact CG-CE1 4.27Å; Y171-F354 PolarHBondContact O-N 3.5Å; F354-E356 PolarHBondContact O-N 3.17Å
355	P	95.6	Very high	95.5	Very high	36 Å²	36	37.7 Å²	37.7	23%	0.234	18%	0.176	C	C	.	.			trans	-67.9	-19.1	-167.5	30.2	-38.2	0	0	0	113.2	P170 K173 L352 L353	P170-P355 HydrophobicContact CG-CG 4.24Å; K173-P355 HydrophobicContact CB-CB 4.18Å; K173-P355 HydrophobicContact CB-CG 3.66Å; K173-P355 HydrophobicContact CD-CB 4.45Å; K173-P355 HydrophobicContact CD-CG 4.26Å; L352-P355 HydrophobicContact CB-CB 4.04Å; L352-P355 HydrophobicContact CD1-CB 4.33Å; L353-P355 VanDerWaalsContact C-N 3.28Å
356	E	95.3	Very high	95.7	Very high	47 Å²	47	36.8 Å²	36.8	22%	0.22	17%	0.173	C	C	.	.			trans	-88.3	148.9	-175.7	-52.3	-53.9	152	0	0	111.4	L169 K173 F354 P358	L169-E356 HydrophobicContact CD2-CB 3.79Å; L169-E356 HydrophobicContact CD2-CG 4.32Å; K173-E356 IonicContact NZ-OE1 2.9Å; F354-E356 PolarHBondContact O-N 3.17Å; E356-P358 WeakPolarHBondContact O-CD 3.38Å
357	R	96.3	Very high	95.9	Very high	111 Å²	111	35.7 Å²	35.7	42%	0.419	17%	0.168	S	C	.	.			trans	-105.2	83.5	173.8	-66	-70.7	-57.8	-93.8	-8.2	108.6	D92 E359 C360 D361	D92-R357 PolarHBondContact O-NH2 3.39Å; R357-E359 IonicContact CZ-OE1 3.02Å; R357-E359 IonicContact NE-OE1 2.64Å; R357-E359 PolarHBondContact NE-OE1 2.88Å; R357-E359 IonicContact NH2-OE1 3.12Å; R357-E359 PolarHBondContact NH2-OE1 3.21Å; R357-E359 PolarHBondContact O-N 3.44Å; R357-E359 VanDerWaalsContact O-N 3.16Å; R357-C360 HydrophobicContact CB-CB 4.18Å; R357-C360 WeakPolarHBondContact O-CB 3.23Å; R357-C360 PolarHBondContact O-N 3.38Å; R357-D361 PolarHBondContact O-N 3.48Å
358	P	97.6	Very high	96.3	Very high	10 Å²	10	34 Å²	34	7%	0.065	16%	0.159	C	C	.	.	H	α-helix	trans	-57	-35.5	-170.2	22.1	-33.8	0	0	0	112.9	Y137 L169 E356 C360 D361 F362	Y137-P358 HydrophobicContact CE2-CB 4.26Å; L169-P358 HydrophobicContact CD1-CB 4.13Å; L169-P358 HydrophobicContact CD2-CB 4.03Å; E356-P358 WeakPolarHBondContact O-CD 3.38Å; P358-C360 VanDerWaalsContact C-N 3.33Å; P358-C360 PolarHBondContact O-N 3.09Å; P358-D361 PolarHBondContact O-N 3.33Å; P358-F362 HydrophobicContact CB-CD2 4.48Å; P358-F362 HydrophobicContact CB-CE1 4.39Å; P358-F362 HydrophobicContact CB-CE2 3.73Å; P358-F362 HydrophobicContact CB-CZ 3.67Å; P358-F362 WeakPolarHBondContact O-CD1 3.38Å; P358-F362 WeakPolarHBondContact O-CD2 3.13Å; P358-F362 WeakPolarHBondContact O-CG 3.42Å; P358-F362 PolarHBondContact O-N 3Å
359	E	97.7	Very high	96.6	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.019	15%	0.151	C	C	.	.	H	α-helix	trans	-63.6	-33.1	177.5	69.9	-77.1	-176.5	0	0	114.2	I89 N90 L93 L103 R357 F362 C363	I89-E359 HydrophobicContact CG2-CB 3.96Å; N90-E359 HydrophobicContact CB-CG 4.32Å; N90-E359 WeakPolarHBondContact O-CB 3.48Å; N90-E359 VanDerWaalsContact O-CG 3.24Å; N90-E359 WeakPolarHBondContact O-CG 3.4Å; L93-E359 HydrophobicContact CD2-CB 3.91Å; L93-E359 HydrophobicContact CD2-CG 3.8Å; L93-E359 WeakPolarHBondContact CD2-O 3.49Å; L103-E359 HydrophobicContact CD2-CB 3.9Å; R357-E359 IonicContact CZ-OE1 3.02Å; R357-E359 IonicContact NE-OE1 2.64Å; R357-E359 PolarHBondContact NE-OE1 2.88Å; R357-E359 IonicContact NH2-OE1 3.12Å; R357-E359 PolarHBondContact NH2-OE1 3.21Å; R357-E359 PolarHBondContact O-N 3.44Å; R357-E359 VanDerWaalsContact O-N 3.16Å; E359-F362 PolarHBondContact O-N 3.47Å; E359-C363 PolarHBondContact O-N 3.37Å
360	C	98.3	Very high	96.5	Very high	21 Å²	21	30.9 Å²	30.9	14%	0.142	15%	0.154	C	C	.	.	H	α-helix	trans	-66.9	-42.6	174.8	-64.5	0	0	0	0	110.2	C96 R357 P358 C363 L364	C96-C360 VanDerWaalsContact CA-SG 3.56Å; C96-C360 HydrophobicContact CB-CB 3.67Å; C96-C360 WeakPolarHBondContact CB-SG 3.44Å; C96-C360 WeakPolarHBondContact SG-CA 3.38Å; C96-C360 WeakPolarHBondContact SG-CB 3.4Å; C96-C360 CovalentContact SG-SG 2.04Å; C96-C360 PolarHBondContact SG-SG 3.35Å; R357-C360 HydrophobicContact CB-CB 4.18Å; R357-C360 WeakPolarHBondContact O-CB 3.23Å; R357-C360 PolarHBondContact O-N 3.38Å; P358-C360 VanDerWaalsContact C-N 3.33Å; P358-C360 PolarHBondContact O-N 3.09Å; C360-C363 PolarHBondContact O-N 2.98Å; C360-L364 WeakPolarHBondContact O-CB 3.06Å; C360-L364 PolarHBondContact O-N 3.12Å
361	D	98.1	Very high	96.5	Very high	14 Å²	14	27.8 Å²	27.8	8%	0.075	14%	0.142	C	C	.	.	H	α-helix	trans	-69.8	-34.4	177.6	-75.5	-20.2	0	0	0	112.2	F57 K61 I167 R357 P358 L364 L365	F57-D361 HydrophobicContact CE1-CB 4.29Å; F57-D361 HydrophobicContact CZ-CB 4.48Å; K61-D361 WeakPolarHBondContact CE-OD1 3.41Å; K61-D361 IonicContact NZ-OD1 2.84Å; K61-D361 PolarHBondContact NZ-OD1 3.02Å; K61-D361 IonicContact NZ-OD2 3.64Å; K61-D361 PolarHBondContact NZ-OD2 2.95Å; I167-D361 HydrophobicContact CD1-CB 3.82Å; I167-D361 HydrophobicContact CG1-CB 4.35Å; I167-D361 HydrophobicContact CG2-CB 4.07Å; R357-D361 PolarHBondContact O-N 3.48Å; P358-D361 PolarHBondContact O-N 3.33Å; D361-L364 PolarHBondContact O-N 3.06Å; D361-L365 WeakPolarHBondContact O-CB 3.36Å; D361-L365 PolarHBondContact O-N 3.47Å
362	F	98.3	Very high	96.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.8	-43.1	173.5	-61.2	-23.5	0	0	0	112.2	I79 I89 M115 I117 L135 Y137 A159 I167 P358 E359 L365 A366	I79-F362 HydrophobicContact CD1-CB 4.25Å; I89-F362 HydrophobicContact CD1-CE2 3.81Å; I89-F362 HydrophobicContact CG1-CE2 4.16Å; I89-F362 HydrophobicContact CG2-CD2 4.24Å; I89-F362 HydrophobicContact CG2-CE2 4.04Å; M115-F362 HydrophobicContact CE-CB 3.67Å; M115-F362 HydrophobicContact CE-CD1 4.45Å; M115-F362 HydrophobicContact CE-CG 4.24Å; M115-F362 WeakPolarHBondContact CE-O 3.27Å; I117-F362 HydrophobicContact CD1-CB 4.39Å; I117-F362 HydrophobicContact CD1-CD1 4.48Å; I117-F362 HydrophobicContact CD1-CD2 3.34Å; I117-F362 HydrophobicContact CD1-CE2 3.65Å; I117-F362 HydrophobicContact CD1-CG 3.83Å; I117-F362 HydrophobicContact CD1-CZ 4.34Å; L135-F362 HydrophobicContact CD1-CD1 4.03Å; L135-F362 HydrophobicContact CD1-CE1 3.96Å; L135-F362 HydrophobicContact CD2-CD1 4.5Å; L135-F362 HydrophobicContact CD2-CE1 3.86Å; L135-F362 HydrophobicContact CD2-CZ 4.27Å; Y137-F362 HydrophobicContact CD2-CE2 4.33Å; Y137-F362 AromaticContact CD2-CZ 3.62Å; Y137-F362 HydrophobicContact CD2-CZ 3.62Å; Y137-F362 HydrophobicContact CE2-CE2 4.45Å; Y137-F362 AromaticContact CE2-CZ 3.96Å; Y137-F362 HydrophobicContact CE2-CZ 3.96Å; A159-F362 HydrophobicContact CB-CE1 3.79Å; A159-F362 HydrophobicContact CB-CZ 4.17Å; I167-F362 HydrophobicContact CD1-CD1 3.68Å; I167-F362 HydrophobicContact CD1-CE1 3.81Å; P358-F362 HydrophobicContact CB-CD2 4.48Å; P358-F362 HydrophobicContact CB-CE1 4.39Å; P358-F362 HydrophobicContact CB-CE2 3.73Å; P358-F362 HydrophobicContact CB-CZ 3.67Å; P358-F362 WeakPolarHBondContact O-CD1 3.38Å; P358-F362 WeakPolarHBondContact O-CD2 3.13Å; P358-F362 WeakPolarHBondContact O-CG 3.42Å; P358-F362 PolarHBondContact O-N 3Å; E359-F362 PolarHBondContact O-N 3.47Å; F362-L365 PolarHBondContact O-N 3.26Å; F362-A366 WeakPolarHBondContact O-CB 3.2Å; F362-A366 PolarHBondContact O-N 3.35Å
363	C	98.4	Very high	96.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-68.2	-40.3	177.6	-174.6	0	0	0	0	112	L93 V98 C101 E359 C360 A366 N367	L93-C363 HydrophobicContact CD1-CB 4.1Å; L93-C363 HydrophobicContact CD2-CB 4.22Å; V98-C363 PolarHBondContact O-SG 3.24Å; C101-C363 HydrophobicContact CB-CB 3.76Å; C101-C363 WeakPolarHBondContact CB-SG 3.44Å; C101-C363 WeakPolarHBondContact SG-CA 3.26Å; C101-C363 WeakPolarHBondContact SG-CB 3.28Å; C101-C363 CovalentContact SG-SG 2.04Å; C101-C363 PolarHBondContact SG-SG 3.39Å; E359-C363 PolarHBondContact O-N 3.37Å; C360-C363 PolarHBondContact O-N 2.98Å; C363-A366 PolarHBondContact O-N 2.91Å; C363-N367 PolarHBondContact O-N 2.89Å; C363-N367 PolarHBondContact O-ND2 3.02Å
364	L	98	Very high	95.8	Very high	7 Å²	7	31.9 Å²	31.9	4%	0.037	16%	0.163	C	C	.	.	H	α-helix	trans	-59.7	-49.5	172.7	178	60.1	0	0	0	111.1	F57 K61 F64 L71 V98 C360 D361 A366 N367 A368	F57-L364 HydrophobicContact CE2-CD2 4.19Å; F57-L364 HydrophobicContact CE2-CG 3.96Å; F57-L364 HydrophobicContact CZ-CB 4.26Å; F57-L364 HydrophobicContact CZ-CD2 3.91Å; F57-L364 HydrophobicContact CZ-CG 3.98Å; K61-L364 HydrophobicContact CB-CD2 4.18Å; K61-L364 HydrophobicContact CD-CD2 4.21Å; K61-L364 HydrophobicContact CG-CD2 3.75Å; F64-L364 HydrophobicContact CD1-CD1 3.59Å; F64-L364 HydrophobicContact CD1-CD2 4.15Å; F64-L364 HydrophobicContact CE1-CD1 3.64Å; F64-L364 HydrophobicContact CG-CD1 4.11Å; F64-L364 HydrophobicContact CZ-CD1 4.21Å; L71-L364 HydrophobicContact CD1-CD1 3.32Å; V98-L364 HydrophobicContact CG2-CD1 3.72Å; C360-L364 WeakPolarHBondContact O-CB 3.06Å; C360-L364 PolarHBondContact O-N 3.12Å; D361-L364 PolarHBondContact O-N 3.06Å; L364-A366 PolarHBondContact O-N 3.16Å; L364-N367 PolarHBondContact O-N 3.37Å; L364-A368 VanDerWaalsContact O-CB 3.23Å; L364-A368 WeakPolarHBondContact O-CB 3.42Å; L364-A368 PolarHBondContact O-N 3.05Å
365	L	97.6	Very high	95.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.4	-44.1	179.1	-179.8	60.5	0	0	0	112	F57 M115 L135 F157 I167 D361 F362 N367 A368 L369 L372	F57-L365 HydrophobicContact CB-CD1 4.38Å; F57-L365 HydrophobicContact CD2-CB 4.29Å; F57-L365 HydrophobicContact CD2-CD1 3.54Å; F57-L365 HydrophobicContact CD2-CG 4.49Å; F57-L365 HydrophobicContact CE2-CB 3.78Å; F57-L365 HydrophobicContact CE2-CD1 3.93Å; F57-L365 HydrophobicContact CE2-CG 4.45Å; F57-L365 HydrophobicContact CG-CD1 3.96Å; F57-L365 HydrophobicContact CZ-CB 3.96Å; M115-L365 HydrophobicContact SD-CD2 3.93Å; M115-L365 HydrophobicContact SD-CG 4.26Å; L135-L365 HydrophobicContact CD1-CD2 3.68Å; F157-L365 HydrophobicContact CB-CD2 4.19Å; F157-L365 HydrophobicContact CD2-CD1 4.35Å; F157-L365 HydrophobicContact CD2-CD2 3.83Å; F157-L365 HydrophobicContact CD2-CG 4.37Å; F157-L365 HydrophobicContact CE1-CD1 4.4Å; F157-L365 HydrophobicContact CE2-CD1 4.16Å; F157-L365 HydrophobicContact CE2-CD2 4.4Å; F157-L365 HydrophobicContact CE2-CG 4.46Å; F157-L365 HydrophobicContact CG-CD2 3.98Å; F157-L365 HydrophobicContact CZ-CD1 4.18Å; I167-L365 HydrophobicContact CD1-CD2 4.08Å; D361-L365 WeakPolarHBondContact O-CB 3.36Å; D361-L365 PolarHBondContact O-N 3.47Å; F362-L365 PolarHBondContact O-N 3.26Å; L365-N367 VanDerWaalsContact C-N 3.3Å; L365-N367 PolarHBondContact O-N 2.73Å; L365-A368 CarbonylContact O-C 3.55Å; L365-A368 PolarHBondContact O-N 3.43Å; L365-A368 VanDerWaalsContact O-N 3.12Å; L365-L369 HydrophobicContact CD1-CD2 4.47Å; L365-L369 WeakPolarHBondContact O-CG 3.23Å; L365-L369 PolarHBondContact O-N 3.39Å; L365-L372 HydrophobicContact CD1-CD1 3.49Å; L365-L372 VanDerWaalsContact CD1-CD1 3.49Å
366	A	96.7	Very high	95.3	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-63	-34	178.6	0	0	0	0	0	113.2	K77 I79 M115 F362 C363 L364	K77-A366 HydrophobicContact CB-CB 4.14Å; K77-A366 HydrophobicContact CG-CB 4.4Å; I79-A366 HydrophobicContact CD1-CB 3.85Å; I79-A366 HydrophobicContact CG1-CB 4.11Å; M115-A366 HydrophobicContact CE-CB 4.46Å; F362-A366 WeakPolarHBondContact O-CB 3.2Å; F362-A366 PolarHBondContact O-N 3.35Å; C363-A366 PolarHBondContact O-N 2.91Å; L364-A366 PolarHBondContact O-N 3.16Å
367	N	96.4	Very high	95.3	Very high	6 Å²	6	35 Å²	35	3%	0.032	17%	0.174	C	C	.	.	H	α-helix	trans	-76.4	-31.1	173.6	-79.5	-79.3	0	0	0	112.5	L71 N72 K77 V98 N100 C101 C363 L364 L365 P370	L71-N367 HydrophobicContact CD1-CB 4.18Å; N72-N367 PolarHBondContact O-OD1 3.35Å; K77-N367 WeakPolarHBondContact CE-OD1 3.46Å; V98-N367 HydrophobicContact CG1-CB 4.26Å; V98-N367 VanDerWaalsContact CG1-ND2 3.29Å; V98-N367 WeakPolarHBondContact CG1-ND2 3.44Å; N100-N367 PolarHBondContact ND2-OD1 2.95Å; N100-N367 PolarHBondContact OD1-ND2 2.94Å; N100-N367 VanDerWaalsContact OD1-ND2 3.1Å; N100-N367 PolarHBondContact OD1-OD1 3.16Å; C101-N367 PolarHBondContact SG-ND2 3.18Å; C101-N367 VanDerWaalsContact SG-ND2 3.4Å; C363-N367 PolarHBondContact O-N 2.89Å; C363-N367 PolarHBondContact O-ND2 3.02Å; L364-N367 PolarHBondContact O-N 3.37Å; L365-N367 VanDerWaalsContact C-N 3.3Å; L365-N367 PolarHBondContact O-N 2.73Å; N367-P370 WeakPolarHBondContact O-CD 3.24Å
368	A	95.3	Very high	95.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-85.7	-5.8	-176.7	0	0	0	0	0	114.9	L60 L71 L364 L365 P370 N371 L372	L60-A368 HydrophobicContact CD1-CB 3.74Å; L60-A368 HydrophobicContact CD2-CB 3.61Å; L60-A368 HydrophobicContact CG-CB 4.38Å; L71-A368 HydrophobicContact CD2-CB 4.23Å; L364-A368 VanDerWaalsContact O-CB 3.23Å; L364-A368 WeakPolarHBondContact O-CB 3.42Å; L364-A368 PolarHBondContact O-N 3.05Å; L365-A368 CarbonylContact O-C 3.55Å; L365-A368 PolarHBondContact O-N 3.43Å; L365-A368 VanDerWaalsContact O-N 3.12Å; A368-P370 VanDerWaalsContact C-N 3.3Å; A368-N371 WeakPolarHBondContact O-CB 3.42Å; A368-N371 PolarHBondContact O-N 2.97Å; A368-L372 PolarHBondContact O-N 3.16Å
369	L	94.4	Very high	95.1	Very high	36 Å²	36	38.7 Å²	38.7	19%	0.188	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-48.2	-42.9	179.7	-64.5	178.7	0	0	0	114	A133 F157 L365 N371 L372	A133-L369 HydrophobicContact CB-CD1 3.83Å; A133-L369 HydrophobicContact CB-CD2 3.71Å; A133-L369 HydrophobicContact CB-CG 4.45Å; F157-L369 HydrophobicContact CE2-CD2 3.51Å; F157-L369 HydrophobicContact CZ-CD2 4Å; L365-L369 HydrophobicContact CD1-CD2 4.47Å; L365-L369 WeakPolarHBondContact O-CG 3.23Å; L365-L369 PolarHBondContact O-N 3.39Å; L369-N371 PolarHBondContact O-N 3.42Å; L369-L372 PolarHBondContact O-N 3.23Å
370	P	92.8	Very high	94.9	Very high	52 Å²	52	38.5 Å²	38.5	34%	0.338	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-64.4	-24	177.8	-23.8	37.4	0	0	0	114.5	Y51 N52 N367 A368	Y51-P370 HydrophobicContact CD2-CB 3.97Å; Y51-P370 WeakPolarHBondContact CD2-O 3.48Å; Y51-P370 HydrophobicContact CE2-CB 3.75Å; Y51-P370 VanDerWaalsContact CE2-O 3.28Å; Y51-P370 WeakPolarHBondContact CE2-O 3.48Å; N52-P370 PolarHBondContact N-O 3.17Å; N367-P370 WeakPolarHBondContact O-CD 3.24Å; A368-P370 VanDerWaalsContact C-N 3.3Å
371	N	93.5	Very high	94.7	Very high	21 Å²	21	38.1 Å²	38.1	11%	0.112	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-92.1	-13.1	-176	-58.2	101.9	0	0	0	112.6	V50 N52 S53 Y54 L60 A368 L369	V50-N371 HydrophobicContact CG1-CB 4.45Å; V50-N371 WeakPolarHBondContact CG1-ND2 3.35Å; V50-N371 WeakPolarHBondContact O-CA 3.38Å; V50-N371 PolarHBondContact O-ND2 3.4Å; N52-N371 CarbonylContact C-O 3.57Å; S53-N371 PolarHBondContact N-O 3.19Å; Y54-N371 HydrophobicContact CD2-CB 4.39Å; Y54-N371 PolarHBondContact N-O 3.41Å; Y54-N371 VanDerWaalsContact N-O 3.12Å; L60-N371 HydrophobicContact CD1-CB 3.72Å; A368-N371 WeakPolarHBondContact O-CB 3.42Å; A368-N371 PolarHBondContact O-N 2.97Å; L369-N371 PolarHBondContact O-N 3.42Å
372	L	94	Very high	94.5	Very high	8 Å²	8	39.3 Å²	39.3	4%	0.042	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-92.7	135.8	179.4	-69.9	170.5	0	0	0	110.6	N52 F57 L60 F157 L365 A368 L369	N52-L372 PolarHBondContact OD1-O 2.99Å; F57-L372 HydrophobicContact CD2-CD1 4.43Å; L60-L372 HydrophobicContact CB-CD2 4.15Å; L60-L372 HydrophobicContact CD1-CD2 3.65Å; L60-L372 HydrophobicContact CD1-CG 3.77Å; F157-L372 HydrophobicContact CE1-CD1 4.26Å; F157-L372 HydrophobicContact CZ-CD1 4.04Å; L365-L372 HydrophobicContact CD1-CD1 3.49Å; L365-L372 VanDerWaalsContact CD1-CD1 3.49Å; A368-L372 PolarHBondContact O-N 3.16Å; L369-L372 PolarHBondContact O-N 3.23Å
373	K	91.8	Very high	94.4	Very high	110 Å²	110	40.5 Å²	40.5	48%	0.478	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-55.9	135.4	167.1	-68.9	-179	-177.9	178.2	0	109.9	N52 Y54 S375	N52-K373 HydrophobicContact CB-CG 4.47Å; N52-K373 VanDerWaalsContact O-CE 3.26Å; N52-K373 WeakPolarHBondContact O-CE 3.44Å; N52-K373 WeakPolarHBondContact O-CG 3.43Å; Y54-K373 PolarHBondContact O-N 3.29Å; K373-S375 PolarHBondContact O-N 3.16Å
374	P	89.1	Confident	94.2	Very high	101 Å²	101	40.6 Å²	40.6	66%	0.656	21%	0.21	S	C	*	.	P	Polyproline II helix	trans	-52.3	127.1	174.4	-27.4	34.8	0	0	0	110.9
375	S	90.4	Very high	94	Very high	47 Å²	47	42.9 Å²	42.9	33%	0.329	22%	0.222	S	C	.	.			trans	-143.6	149.5	-179.5	52.5	0	0	0	0	110.9	N156 K373	N156-S375 WeakPolarHBondContact CA-O 3.27Å; N156-S375 PolarHBondContact ND2-O 3.43Å; K373-S375 PolarHBondContact O-N 3.16Å
376	W	92.3	Very high	93.9	Very high	143 Å²	143	50 Å²	50	54%	0.542	25%	0.249	S	C	.	.			trans	-154	156.1	173.2	61.1	97.2	0	0	0	110.7	I155	I155-W376 WeakPolarHBondContact O-CA 3.12Å; I155-W376 WeakPolarHBondContact O-CB 3.13Å
377	Y	94.4	Very high	93.9	Very high	42 Å²	42	50 Å²	50	17%	0.165	25%	0.249	C	C	.	.			trans	-81.2	127.1	171.8	-72.5	-102	0	0	0	108.4	E153 I155 T158 D379 V380 W383	E153-Y377 WeakPolarHBondContact CA-O 2.95Å; I155-Y377 HydrophobicContact CG2-CD2 4.16Å; I155-Y377 PolarHBondContact O-N 3.33Å; T158-Y377 HydrophobicContact CG2-CD2 4.14Å; T158-Y377 HydrophobicContact CG2-CE1 4.07Å; T158-Y377 HydrophobicContact CG2-CE2 3.54Å; T158-Y377 PolarHBondContact OG1-OH 3.41Å; Y377-D379 PolarHBondContact O-N 2.86Å; Y377-V380 HydrophobicContact CG-CB 4.5Å; Y377-W383 HydrophobicContact CD1-CB 3.95Å; Y377-W383 HydrophobicContact CD1-CD2 4.06Å; Y377-W383 HydrophobicContact CD1-CE3 4.43Å; Y377-W383 AromaticContact CD1-CG 3.84Å; Y377-W383 HydrophobicContact CD1-CG 3.84Å; Y377-W383 HydrophobicContact CE1-CB 4.31Å; Y377-W383 AromaticContact CE1-CD1 3.9Å; Y377-W383 AromaticContact CE1-CD2 3.59Å; Y377-W383 HydrophobicContact CE1-CD2 3.59Å; Y377-W383 AromaticContact CE1-CE2 3.79Å; Y377-W383 HydrophobicContact CE1-CE3 4.07Å; Y377-W383 AromaticContact CE1-CG 3.68Å; Y377-W383 HydrophobicContact CE1-CG 3.68Å; Y377-W383 HydrophobicContact CE1-CZ2 4.42Å; Y377-W383 AromaticContact CE1-NE1 3.96Å
378	I	94	Very high	93.9	Very high	134 Å²	134	51 Å²	51	69%	0.687	26%	0.256	S	S	*	.	S	Bend	trans	-55.4	-44.5	172.9	-63.2	168.9	0	0	0	109.9	E153	E153-I378 WeakPolarHBondContact CG-O 3.36Å
379	D	94.7	Very high	93.9	Very high	66 Å²	66	57.2 Å²	57.2	35%	0.353	29%	0.285	S	S	.	.			trans	-149.4	106.4	170.6	-179	-6.7	0	0	0	109.3	Y377 N381 S382 W383	Y377-D379 PolarHBondContact O-N 2.86Å; D379-N381 VanDerWaalsContact C-N 3.28Å; D379-N381 PolarHBondContact O-N 2.85Å; D379-N381 WeakPolarHBondContact OD1-CA 3.27Å; D379-N381 WeakPolarHBondContact OD1-CB 3.31Å; D379-N381 PolarHBondContact OD1-N 3.35Å; D379-S382 VanDerWaalsContact CG-CB 3.46Å; D379-S382 PolarHBondContact O-N 3.44Å; D379-S382 PolarHBondContact OD1-N 3.44Å; D379-S382 VanDerWaalsContact OD2-CB 3.26Å; D379-S382 WeakPolarHBondContact OD2-CB 3.19Å; D379-W383 PolarHBondContact O-N 3.21Å
380	V	94.2	Very high	94	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63.8	-33.5	178.3	69.4	0	0	0	0	112.2	A136 L151 I155 T158 Y377 W383 F384	A136-V380 HydrophobicContact CB-CG2 4.22Å; L151-V380 HydrophobicContact CB-CG1 4.01Å; L151-V380 HydrophobicContact CD1-CG1 4.26Å; I155-V380 HydrophobicContact CB-CB 4.04Å; I155-V380 HydrophobicContact CB-CG1 4.28Å; I155-V380 HydrophobicContact CB-CG2 4.21Å; I155-V380 HydrophobicContact CG1-CB 4.08Å; I155-V380 HydrophobicContact CG1-CG1 3.78Å; I155-V380 HydrophobicContact CG1-CG2 4.25Å; I155-V380 HydrophobicContact CG2-CB 4.38Å; I155-V380 HydrophobicContact CG2-CG2 4.02Å; T158-V380 HydrophobicContact CG2-CG2 4.02Å; Y377-V380 HydrophobicContact CG-CB 4.5Å; V380-W383 HydrophobicContact CG2-CE3 4.39Å; V380-F384 WeakPolarHBondContact O-CB 3.13Å; V380-F384 PolarHBondContact O-N 2.96Å
381	N	93.7	Very high	94.1	Very high	13 Å²	13	60.1 Å²	60.1	7%	0.07	31%	0.31	C	S	.	.	H	α-helix	trans	-71.3	-47.1	179.7	-64	-80.6	0	0	0	109.2	L147 N148 K149 D379 W383 F384 D385	L147-N381 WeakPolarHBondContact CB-OD1 3.42Å; N148-N381 PolarHBondContact O-ND2 2.89Å; N148-N381 VanDerWaalsContact O-ND2 3.15Å; K149-N381 WeakPolarHBondContact CA-ND2 3.18Å; D379-N381 VanDerWaalsContact C-N 3.28Å; D379-N381 PolarHBondContact O-N 2.85Å; D379-N381 WeakPolarHBondContact OD1-CA 3.27Å; D379-N381 WeakPolarHBondContact OD1-CB 3.31Å; D379-N381 PolarHBondContact OD1-N 3.35Å; N381-W383 PolarHBondContact O-N 2.81Å; N381-F384 CarbonylContact O-C 3.6Å; N381-F384 PolarHBondContact O-N 3.42Å; N381-F384 VanDerWaalsContact O-N 3.1Å; N381-D385 VanDerWaalsContact O-CB 3.31Å; N381-D385 WeakPolarHBondContact O-CB 3.35Å; N381-D385 VanDerWaalsContact O-CG 3.27Å; N381-D385 PolarHBondContact O-N 3.46Å
382	S	94.9	Very high	94.2	Very high	39 Å²	39	69.2 Å²	69.2	27%	0.273	34%	0.343	S	S	.	.	H	α-helix	trans	-60.7	-42.7	174.9	-179.6	0	0	0	0	112.6	D379 F384 R386	D379-S382 VanDerWaalsContact CG-CB 3.46Å; D379-S382 PolarHBondContact O-N 3.44Å; D379-S382 PolarHBondContact OD1-N 3.44Å; D379-S382 VanDerWaalsContact OD2-CB 3.26Å; D379-S382 WeakPolarHBondContact OD2-CB 3.19Å; S382-F384 VanDerWaalsContact C-N 3.29Å; S382-F384 PolarHBondContact O-N 3.48Å; S382-R386 WeakPolarHBondContact O-CB 3.22Å; S382-R386 WeakPolarHBondContact O-CG 3.38Å; S382-R386 PolarHBondContact O-N 3.4Å; S382-R386 VanDerWaalsContact O-N 3.17Å; S382-R386 PolarHBondContact O-NE 3.33Å
383	W	95.1	Very high	94.3	Very high	24 Å²	24	69.7 Å²	69.7	9%	0.091	35%	0.345	C	S	.	.	H	α-helix	trans	-55.5	-47.8	172.2	167.9	81.6	0	0	0	110.7	T158 T160 R162 D164 Y377 D379 V380 N381	T158-W383 HydrophobicContact CG2-CE3 4.15Å; T158-W383 HydrophobicContact CG2-CH2 4Å; T158-W383 HydrophobicContact CG2-CZ3 3.65Å; T160-W383 HydrophobicContact CG2-CH2 4.39Å; T160-W383 HydrophobicContact CG2-CZ3 4.48Å; R162-W383 HydrophobicContact CB-CH2 4.38Å; R162-W383 HydrophobicContact CB-CZ2 4.31Å; R162-W383 VanDerWaalsContact CZ-CE2 3.49Å; R162-W383 PolarHBondContact NH1-O 3.47Å; R162-W383 VanDerWaalsContact NH2-NE1 3.16Å; D164-W383 WeakPolarHBondContact OD1-CZ2 3.5Å; D164-W383 PolarHBondContact OD2-NE1 2.83Å; Y377-W383 HydrophobicContact CD1-CB 3.95Å; Y377-W383 HydrophobicContact CD1-CD2 4.06Å; Y377-W383 HydrophobicContact CD1-CE3 4.43Å; Y377-W383 AromaticContact CD1-CG 3.84Å; Y377-W383 HydrophobicContact CD1-CG 3.84Å; Y377-W383 HydrophobicContact CE1-CB 4.31Å; Y377-W383 AromaticContact CE1-CD1 3.9Å; Y377-W383 AromaticContact CE1-CD2 3.59Å; Y377-W383 HydrophobicContact CE1-CD2 3.59Å; Y377-W383 AromaticContact CE1-CE2 3.79Å; Y377-W383 HydrophobicContact CE1-CE3 4.07Å; Y377-W383 AromaticContact CE1-CG 3.68Å; Y377-W383 HydrophobicContact CE1-CG 3.68Å; Y377-W383 HydrophobicContact CE1-CZ2 4.42Å; Y377-W383 AromaticContact CE1-NE1 3.96Å; D379-W383 PolarHBondContact O-N 3.21Å; V380-W383 HydrophobicContact CG2-CE3 4.39Å; N381-W383 PolarHBondContact O-N 2.81Å
384	F	94.8	Very high	94.5	Very high	2 Å²	2	70.9 Å²	70.9	1%	0.009	35%	0.35	C	S	.	.	H	α-helix	trans	-71.9	-50.1	-176	-160.3	-144.9	0	0	0	112.9	H138 E140 P142 L147 Y161 R162 V380 N381 S382 R386 S387	H138-F384 HydrophobicContact CB-CE1 4.42Å; H138-F384 HydrophobicContact CB-CZ 4.49Å; E140-F384 VanDerWaalsContact O-CZ 3.26Å; E140-F384 WeakPolarHBondContact O-CZ 3.23Å; P142-F384 HydrophobicContact CB-CD1 3.98Å; P142-F384 HydrophobicContact CB-CE1 4.29Å; P142-F384 HydrophobicContact CB-CG 4.32Å; P142-F384 HydrophobicContact CG-CD1 3.87Å; P142-F384 HydrophobicContact CG-CD2 3.99Å; P142-F384 HydrophobicContact CG-CE1 4.05Å; P142-F384 HydrophobicContact CG-CE2 4.14Å; P142-F384 HydrophobicContact CG-CG 3.84Å; P142-F384 HydrophobicContact CG-CZ 4.18Å; P142-F384 WeakPolarHBondContact CG-O 3.5Å; L147-F384 HydrophobicContact CD1-CD1 4.2Å; Y161-F384 AromaticContact CE1-CE2 3.84Å; Y161-F384 HydrophobicContact CE1-CE2 3.84Å; Y161-F384 AromaticContact CE1-CZ 3.77Å; Y161-F384 HydrophobicContact CE1-CZ 3.77Å; Y161-F384 AromaticContact CZ-CE2 3.89Å; R162-F384 HydrophobicContact CG-CE2 4.46Å; V380-F384 WeakPolarHBondContact O-CB 3.13Å; V380-F384 PolarHBondContact O-N 2.96Å; N381-F384 CarbonylContact O-C 3.6Å; N381-F384 PolarHBondContact O-N 3.42Å; N381-F384 VanDerWaalsContact O-N 3.1Å; S382-F384 VanDerWaalsContact C-N 3.29Å; S382-F384 PolarHBondContact O-N 3.48Å; F384-R386 VanDerWaalsContact C-N 3.3Å; F384-R386 PolarHBondContact O-N 2.83Å; F384-S387 VanDerWaalsContact O-CB 3.25Å; F384-S387 WeakPolarHBondContact O-CB 3.23Å; F384-S387 PolarHBondContact O-N 2.84Å; F384-S387 PolarHBondContact O-OG 3.48Å
385	D	94.4	Very high	94.8	Very high	56 Å²	56	68.2 Å²	68.2	30%	0.299	33%	0.327	S	S	.	.	H	α-helix	trans	-59.1	-38.9	-177.8	-71.8	-18.7	0	0	0	112.3	P142 N381 S387 C388 H389	P142-D385 WeakPolarHBondContact CB-OD1 3.46Å; N381-D385 VanDerWaalsContact O-CB 3.31Å; N381-D385 WeakPolarHBondContact O-CB 3.35Å; N381-D385 VanDerWaalsContact O-CG 3.27Å; N381-D385 PolarHBondContact O-N 3.46Å; D385-S387 PolarHBondContact O-N 3.35Å; D385-C388 PolarHBondContact O-N 2.86Å; D385-H389 PolarHBondContact O-CD2 3.32Å; D385-H389 VanDerWaalsContact O-CD2 3.28Å
386	R	95.9	Very high	94.7	Very high	149 Å²	149	74.6 Å²	74.6	56%	0.562	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-57.7	-21.1	175.6	-77.2	-173.4	-57.9	-147.2	5.8	113.7	S382 F384 C388 H389	S382-R386 WeakPolarHBondContact O-CB 3.22Å; S382-R386 WeakPolarHBondContact O-CG 3.38Å; S382-R386 PolarHBondContact O-N 3.4Å; S382-R386 VanDerWaalsContact O-N 3.17Å; S382-R386 PolarHBondContact O-NE 3.33Å; F384-R386 VanDerWaalsContact C-N 3.3Å; F384-R386 PolarHBondContact O-N 2.83Å; R386-C388 PolarHBondContact O-N 3.41Å; R386-C388 VanDerWaalsContact O-N 3.15Å; R386-H389 PolarHBondContact O-N 3.32Å
387	S	96.2	Very high	94.3	Very high	2 Å²	2	68.6 Å²	68.6	1%	0.014	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-60.6	-22.9	175.6	64.1	0	0	0	0	113.2	P142 C275 Q276 F384 D385 R391	P142-S387 VanDerWaalsContact CG-OG 3.26Å; P142-S387 WeakPolarHBondContact CG-OG 3.48Å; C275-S387 CarbonylContact C-O 3.48Å; C275-S387 WeakPolarHBondContact CA-O 3.19Å; Q276-S387 PolarHBondContact N-O 2.85Å; F384-S387 VanDerWaalsContact O-CB 3.25Å; F384-S387 WeakPolarHBondContact O-CB 3.23Å; F384-S387 PolarHBondContact O-N 2.84Å; F384-S387 PolarHBondContact O-OG 3.48Å; D385-S387 PolarHBondContact O-N 3.35Å; S387-R391 WeakPolarHBondContact O-CD 3.39Å
388	C	96.8	Very high	93.2	Very high	26 Å²	26	73.8 Å²	73.8	18%	0.176	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-102.3	-11.2	179.2	-44.8	0	0	0	0	113.1	P142 C275 D385 R386 G390 R391	P142-C388 VanDerWaalsContact CD-SG 3.56Å; P142-C388 VanDerWaalsContact CG-SG 3.54Å; C275-C388 HydrophobicContact CB-CB 4.08Å; C275-C388 WeakPolarHBondContact CB-SG 3.35Å; C275-C388 WeakPolarHBondContact SG-CB 3.42Å; C275-C388 CovalentContact SG-SG 2.04Å; C275-C388 PolarHBondContact SG-SG 2.92Å; D385-C388 PolarHBondContact O-N 2.86Å; R386-C388 PolarHBondContact O-N 3.41Å; R386-C388 VanDerWaalsContact O-N 3.15Å; C388-G390 PolarHBondContact O-N 3.47Å; C388-R391 PolarHBondContact O-N 2.86Å
389	H	95.3	Very high	92.1	Very high	130 Å²	130	70.5 Å²	70.5	60%	0.602	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	134.4	-171	-75.2	-172.2	0	0	0	112.5	D385 R386 R391	D385-H389 PolarHBondContact O-CD2 3.32Å; D385-H389 VanDerWaalsContact O-CD2 3.28Å; R386-H389 PolarHBondContact O-N 3.32Å; H389-R391 PolarHBondContact O-N 2.86Å
390	G	95.1	Very high	90.9	Very high	75 Å²	75	77.2 Å²	77.2	77%	0.773	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	-1.1	175.7	0	0	0	0	0	115.3	C388 R392	C388-G390 PolarHBondContact O-N 3.47Å; G390-R392 PolarHBondContact O-N 3.44Å
391	R	96.4	Very high	90.1	Very high	75 Å²	75	84.8 Å²	84.8	28%	0.283	41%	0.411	S	S	.	.			trans	-78.6	123.2	-179.6	-59.5	-172.1	67.1	104.7	5.1	109.9	L274 E303 S387 C388 H389	L274-R391 HydrophobicContact CB-CB 4.19Å; L274-R391 WeakPolarHBondContact O-CB 3.46Å; L274-R391 WeakPolarHBondContact O-CD 3.32Å; E303-R391 IonicContact OE1-NH1 3.72Å; E303-R391 PolarHBondContact OE1-NH1 3.04Å; E303-R391 IonicContact OE1-NH2 3.49Å; E303-R391 IonicContact OE2-CZ 2.89Å; E303-R391 IonicContact OE2-NH1 3.27Å; E303-R391 PolarHBondContact OE2-NH1 2.75Å; E303-R391 IonicContact OE2-NH2 2.98Å; E303-R391 PolarHBondContact OE2-NH2 2.89Å; S387-R391 WeakPolarHBondContact O-CD 3.39Å; C388-R391 PolarHBondContact O-N 2.86Å; H389-R391 PolarHBondContact O-N 2.86Å
392	R	95.4	Very high	89.8	Confident	212 Å²	212	86.3 Å²	86.3	80%	0.8	42%	0.417	S	S	*	.			trans	-147.6	153.2	-175.8	61.2	-174.2	176.6	-172.3	-2.5	109.8	G390	G390-R392 PolarHBondContact O-N 3.44Å
393	L	95.6	Very high	89.6	Confident	17 Å²	17	86.7 Å²	86.7	9%	0.089	42%	0.419	C	S	.	.			trans	-69.1	155.7	171.6	-53.2	-176.7	0	0	0	110.6	P226 Y230 L274 M297 V316 D317 W395	P226-L393 HydrophobicContact CG-CD1 3.62Å; P226-L393 HydrophobicContact CG-CG 3.96Å; Y230-L393 HydrophobicContact CD2-CD1 3.71Å; Y230-L393 HydrophobicContact CE2-CD1 4.22Å; L274-L393 HydrophobicContact CD1-CD2 3.98Å; L274-L393 HydrophobicContact CD1-CG 4.17Å; L274-L393 HydrophobicContact CD2-CD2 4.2Å; M297-L393 HydrophobicContact CE-CD1 3.46Å; M297-L393 VanDerWaalsContact CE-CD1 3.46Å; M297-L393 HydrophobicContact CE-CD2 4.47Å; M297-L393 HydrophobicContact CG-CD1 4.36Å; M297-L393 HydrophobicContact CG-CD2 3.77Å; M297-L393 HydrophobicContact SD-CD1 3.87Å; M297-L393 HydrophobicContact SD-CD2 4.3Å; V316-L393 HydrophobicContact CG2-CD2 4.02Å; D317-L393 WeakPolarHBondContact OD1-CA 3.37Å; L393-W395 PolarHBondContact O-N 2.87Å
394	K	95.2	Very high	89.4	Confident	135 Å²	135	86.4 Å²	86.4	59%	0.587	42%	0.422	S	S	*	.	S	Bend	trans	-60.9	-38	168.1	-176.5	178.2	-178.3	175.1	0	111.2	D317	D317-K394 HydrophobicContact CB-CB 4.3Å; D317-K394 WeakPolarHBondContact OD1-CB 3.38Å; D317-K394 PolarHBondContact OD1-N 3.34Å
395	W	95.6	Very high	89.1	Confident	45 Å²	45	89.1 Å²	89.1	17%	0.17	45%	0.445	C	S	.	.	S	Bend	trans	-78.6	120	176.1	177.4	69	0	0	0	111	L229 Y230 E233 P322 L393	L229-W395 HydrophobicContact CD1-CH2 4.4Å; L229-W395 HydrophobicContact CD2-CH2 4.27Å; L229-W395 HydrophobicContact CD2-CZ3 4.45Å; L229-W395 HydrophobicContact CG-CH2 3.84Å; L229-W395 HydrophobicContact CG-CZ3 4.14Å; Y230-W395 HydrophobicContact CD2-CD2 4.22Å; Y230-W395 AromaticContact CD2-CE3 3.36Å; Y230-W395 HydrophobicContact CD2-CE3 3.36Å; Y230-W395 AromaticContact CD2-CZ3 3.66Å; Y230-W395 HydrophobicContact CD2-CZ3 3.66Å; Y230-W395 HydrophobicContact CE2-CB 4.32Å; Y230-W395 HydrophobicContact CE2-CD2 4.29Å; Y230-W395 AromaticContact CE2-CE3 3.85Å; Y230-W395 HydrophobicContact CE2-CE3 3.85Å; Y230-W395 HydrophobicContact CE2-CZ3 4.48Å; Y230-W395 HydrophobicContact CG-CE3 4.3Å; Y230-W395 HydrophobicContact CG-CZ3 4.16Å; E233-W395 HydrophobicContact CB-CH2 4.01Å; E233-W395 HydrophobicContact CB-CZ2 4.18Å; E233-W395 HydrophobicContact CG-CH2 3.48Å; E233-W395 VanDerWaalsContact CG-CH2 3.48Å; E233-W395 HydrophobicContact CG-CZ2 3.63Å; P322-W395 VanDerWaalsContact CD-CE2 3.5Å; P322-W395 HydrophobicContact CG-CD2 4.05Å; P322-W395 HydrophobicContact CG-CE3 4.27Å; P322-W395 HydrophobicContact CG-CH2 4.11Å; P322-W395 HydrophobicContact CG-CZ2 3.96Å; P322-W395 HydrophobicContact CG-CZ3 4.28Å; L393-W395 PolarHBondContact O-N 2.87Å
396	K	89.5	Confident	89	Confident	181 Å²	181	91.2 Å²	91.2	79%	0.787	46%	0.456	S	S	*	.			trans	-78.8	-18.2	-172.2	-67.3	-177.8	172.6	177.9	0	115.2
397	G	82.9	Confident	88.8	Confident	18 Å²	18	85.2 Å²	85.2	19%	0.186	43%	0.433	C	S	.	.			trans	57.6	70.9	176.1	0	0	0	0	0	114.5	Q399	G397-Q399 VanDerWaalsContact C-N 3.33Å; G397-Q399 PolarHBondContact O-N 2.87Å; G397-Q399 VanDerWaalsContact O-N 3.17Å
398	N	71	Confident	88.6	Confident	150 Å²	150	85.5 Å²	85.5	80%	0.802	43%	0.434	S	S	*	.			trans	-90.6	56.2	-178.6	-68.9	8.5	0	0	0	112.7
399	Q	71.8	Confident	88.3	Confident	65 Å²	65	86.9 Å²	86.9	30%	0.304	44%	0.444	S	S	.	.			trans	-107	109.1	171.3	-84.5	-155.2	-37.3	0	0	111.4	L229 Y232 E233 K236 G397 D401 F402	L229-Q399 HydrophobicContact CD1-CB 4.03Å; L229-Q399 HydrophobicContact CD1-CG 4.5Å; Y232-Q399 VanDerWaalsContact CE1-OE1 3.29Å; E233-Q399 PolarHBondContact OE1-NE2 3.46Å; E233-Q399 PolarHBondContact OE1-OE1 3.06Å; K236-Q399 VanDerWaalsContact NZ-NE2 3.16Å; G397-Q399 VanDerWaalsContact C-N 3.33Å; G397-Q399 PolarHBondContact O-N 2.87Å; G397-Q399 VanDerWaalsContact O-N 3.17Å; Q399-D401 VanDerWaalsContact C-N 3.34Å; Q399-F402 HydrophobicContact CB-CB 4.22Å
400	K	69.8	Low	88	Confident	207 Å²	207	86.4 Å²	86.4	90%	0.9	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-27.2	176.5	-67.6	-176.1	177	-178	0	113.1
401	D	77.7	Confident	87.7	Confident	159 Å²	159	83.9 Å²	83.9	85%	0.85	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	8	-170.9	-51.3	-37	0	0	0	114.1	Q399 S403	Q399-D401 VanDerWaalsContact C-N 3.34Å; D401-S403 PolarHBondContact O-N 3.05Å
402	F	86.9	Confident	87	Confident	46 Å²	46	84.1 Å²	84.1	20%	0.202	41%	0.412	C	S	.	.			trans	-78.3	121.3	178.7	176.1	-107.1	0	0	0	111.4	N228 L229 Y232 Q399 A404 W407	N228-F402 HydrophobicContact CB-CE1 4.07Å; N228-F402 HydrophobicContact CB-CZ 3.97Å; L229-F402 VanDerWaalsContact CA-CE1 3.49Å; L229-F402 HydrophobicContact CB-CD1 3.71Å; L229-F402 HydrophobicContact CB-CE1 3.7Å; L229-F402 HydrophobicContact CB-CG 4.41Å; L229-F402 HydrophobicContact CB-CZ 4.4Å; L229-F402 HydrophobicContact CD1-CB 3.69Å; L229-F402 HydrophobicContact CD1-CD1 3.71Å; L229-F402 HydrophobicContact CD1-CD2 4.13Å; L229-F402 HydrophobicContact CD1-CE1 4.38Å; L229-F402 HydrophobicContact CD1-CG 3.56Å; L229-F402 HydrophobicContact CG-CD1 4.21Å; Y232-F402 VanDerWaalsContact CB-CE2 3.47Å; Y232-F402 AromaticContact CD1-CD2 3.47Å; Y232-F402 HydrophobicContact CD1-CD2 3.47Å; Y232-F402 VanDerWaalsContact CD1-CD2 3.47Å; Y232-F402 AromaticContact CD1-CE2 3.77Å; Y232-F402 HydrophobicContact CD1-CE2 3.77Å; Y232-F402 HydrophobicContact CD1-CG 4.43Å; Y232-F402 HydrophobicContact CD2-CD2 4.43Å; Y232-F402 HydrophobicContact CD2-CE2 4.13Å; Y232-F402 AromaticContact CE1-CD2 3.94Å; Y232-F402 HydrophobicContact CE1-CD2 3.94Å; Y232-F402 AromaticContact CG-CD2 3.74Å; Y232-F402 HydrophobicContact CG-CD2 3.74Å; Y232-F402 AromaticContact CG-CE2 3.51Å; Y232-F402 HydrophobicContact CG-CE2 3.51Å; Q399-F402 HydrophobicContact CB-CB 4.22Å; F402-A404 HydrophobicContact CE1-CB 3.97Å; F402-A404 HydrophobicContact CZ-CB 3.96Å; F402-W407 HydrophobicContact CE2-CB 4.06Å; F402-W407 HydrophobicContact CE2-CD2 4.29Å; F402-W407 AromaticContact CE2-CE3 3.95Å; F402-W407 HydrophobicContact CE2-CE3 3.95Å; F402-W407 HydrophobicContact CE2-CG 4.38Å; F402-W407 AromaticContact CZ-CE3 3.93Å; F402-W407 HydrophobicContact CZ-CE3 3.93Å
403	S	90.1	Very high	86.4	Confident	46 Å²	46	80.7 Å²	80.7	32%	0.322	41%	0.405	S	S	.	.			trans	-119.5	116	166.2	171	0	0	0	0	109.8	D401 A405 I406 W407	D401-S403 PolarHBondContact O-N 3.05Å; S403-A405 PolarHBondContact O-N 2.93Å; S403-I406 PolarHBondContact O-N 3.33Å; S403-I406 PolarHBondContact OG-N 3.5Å; S403-W407 PolarHBondContact O-N 2.87Å
404	A	90.5	Very high	85.3	Confident	18 Å²	18	86.6 Å²	86.6	15%	0.149	43%	0.432	C	S	.	.	H	α-helix	trans	-58	-38.6	175.3	0	0	0	0	0	111.6	N228 F402 I406 W407 F408	N228-A404 HydrophobicContact CB-CB 4.06Å; N228-A404 WeakPolarHBondContact ND2-CB 3.42Å; F402-A404 HydrophobicContact CE1-CB 3.97Å; F402-A404 HydrophobicContact CZ-CB 3.96Å; A404-I406 PolarHBondContact O-N 2.88Å; A404-W407 PolarHBondContact O-N 2.8Å; A404-F408 HydrophobicContact CB-CD2 4.29Å; A404-F408 HydrophobicContact CB-CE2 4.09Å; A404-F408 WeakPolarHBondContact O-CB 3.36Å; A404-F408 WeakPolarHBondContact O-CD2 3.48Å; A404-F408 WeakPolarHBondContact O-CG 3.17Å; A404-F408 PolarHBondContact O-N 3.24Å
405	A	89.6	Confident	83.8	Confident	60 Å²	60	82.1 Å²	82.1	50%	0.496	42%	0.415	S	S	.	.	H	α-helix	trans	-62.1	-44	177.7	0	0	0	0	0	112	S403 S409	S403-A405 PolarHBondContact O-N 2.93Å; A405-S409 VanDerWaalsContact O-CB 3.29Å; A405-S409 WeakPolarHBondContact O-CB 3.5Å; A405-S409 PolarHBondContact O-N 3.45Å
406	I	91.3	Very high	81.5	Confident	100 Å²	100	84.8 Å²	84.8	51%	0.513	44%	0.437	S	S	.	.	H	α-helix	trans	-65.5	-44.9	176.1	-64.6	177.1	0	0	0	110.4	S403 A404 S409 K410	S403-I406 PolarHBondContact O-N 3.33Å; S403-I406 PolarHBondContact OG-N 3.5Å; A404-I406 PolarHBondContact O-N 2.88Å; I406-S409 WeakPolarHBondContact O-CB 3.23Å; I406-S409 PolarHBondContact O-N 2.96Å; I406-K410 HydrophobicContact CG2-CD 4.4Å; I406-K410 WeakPolarHBondContact O-CG 3.41Å; I406-K410 PolarHBondContact O-N 3.31Å
407	W	92.7	Very high	79.4	Confident	22 Å²	22	80.1 Å²	80.1	8%	0.083	42%	0.424	C	S	.	.	H	α-helix	trans	-62.6	-47.2	180	179.9	40.6	0	0	0	112.1	W216 N228 A231 Y232 F402 S403 A404 S409 K410 L411	W216-W407 HydrophobicContact CE3-CH2 4.26Å; W216-W407 HydrophobicContact CH2-CZ3 4.33Å; W216-W407 AromaticContact CZ3-CH2 3.63Å; W216-W407 HydrophobicContact CZ3-CH2 3.63Å; W216-W407 AromaticContact CZ3-CZ3 3.69Å; W216-W407 HydrophobicContact CZ3-CZ3 3.69Å; N228-W407 WeakPolarHBondContact O-CZ3 3.42Å; A231-W407 HydrophobicContact CB-CH2 3.78Å; A231-W407 HydrophobicContact CB-CZ3 4.26Å; Y232-W407 AromaticContact CD2-CD1 3.7Å; Y232-W407 AromaticContact CD2-CD2 3.81Å; Y232-W407 HydrophobicContact CD2-CD2 3.81Å; Y232-W407 AromaticContact CD2-CE2 3.73Å; Y232-W407 AromaticContact CD2-CG 3.79Å; Y232-W407 HydrophobicContact CD2-CG 3.79Å; Y232-W407 HydrophobicContact CD2-CZ2 4.36Å; Y232-W407 AromaticContact CD2-NE1 3.66Å; Y232-W407 HydrophobicContact CE2-CG 4.42Å; Y232-W407 HydrophobicContact CG-CD2 4.28Å; F402-W407 HydrophobicContact CE2-CB 4.06Å; F402-W407 HydrophobicContact CE2-CD2 4.29Å; F402-W407 AromaticContact CE2-CE3 3.95Å; F402-W407 HydrophobicContact CE2-CE3 3.95Å; F402-W407 HydrophobicContact CE2-CG 4.38Å; F402-W407 AromaticContact CZ-CE3 3.93Å; F402-W407 HydrophobicContact CZ-CE3 3.93Å; S403-W407 PolarHBondContact O-N 2.87Å; A404-W407 PolarHBondContact O-N 2.8Å; W407-S409 VanDerWaalsContact C-N 3.32Å; W407-S409 PolarHBondContact O-N 2.92Å; W407-K410 WeakPolarHBondContact O-CB 2.99Å; W407-K410 PolarHBondContact O-N 3.29Å; W407-L411 HydrophobicContact CD2-CD1 4.21Å; W407-L411 HydrophobicContact CZ2-CD1 4.08Å; W407-L411 WeakPolarHBondContact O-CG 3.23Å; W407-L411 PolarHBondContact O-N 3.01Å
408	F	92.2	Very high	77.5	Confident	9 Å²	9	85.5 Å²	85.5	4%	0.039	45%	0.454	C	S	.	.	H	α-helix	trans	-62.9	-37.8	175	-70.5	-47.4	0	0	0	112.2	W216 C221 C246 A404 K410 L411 K412	W216-F408 HydrophobicContact CH2-CZ 4.45Å; W216-F408 HydrophobicContact CZ3-CE1 4.41Å; C221-F408 HydrophobicContact CB-CD2 3.99Å; C221-F408 HydrophobicContact CB-CE2 3.83Å; C246-F408 HydrophobicContact CB-CD1 3.72Å; C246-F408 HydrophobicContact CB-CD2 4.27Å; C246-F408 HydrophobicContact CB-CE1 3.67Å; C246-F408 HydrophobicContact CB-CE2 4.21Å; C246-F408 HydrophobicContact CB-CG 4.06Å; C246-F408 HydrophobicContact CB-CZ 3.93Å; C246-F408 WeakPolarHBondContact O-CB 3.25Å; C246-F408 VanDerWaalsContact O-CD1 3.29Å; C246-F408 WeakPolarHBondContact O-CD1 3.24Å; A404-F408 HydrophobicContact CB-CD2 4.29Å; A404-F408 HydrophobicContact CB-CE2 4.09Å; A404-F408 WeakPolarHBondContact O-CB 3.36Å; A404-F408 WeakPolarHBondContact O-CD2 3.48Å; A404-F408 WeakPolarHBondContact O-CG 3.17Å; A404-F408 PolarHBondContact O-N 3.24Å; F408-K410 VanDerWaalsContact C-N 3.35Å; F408-K410 PolarHBondContact O-N 3.46Å; F408-L411 HydrophobicContact CD1-CD1 4.02Å; F408-L411 HydrophobicContact CE1-CD1 4.5Å; F408-L411 PolarHBondContact O-N 3.39Å; F408-K412 VanDerWaalsContact O-CG 3.27Å; F408-K412 WeakPolarHBondContact O-CG 3.39Å; F408-K412 PolarHBondContact O-N 3.44Å
409	S	89.8	Confident	76	Confident	55 Å²	55	83.2 Å²	83.2	39%	0.385	45%	0.445	S	S	.	.	H	α-helix	trans	-59.3	-43.8	173.1	-175.9	0	0	0	0	112.1	A405 I406 W407 K412 Q413	A405-S409 VanDerWaalsContact O-CB 3.29Å; A405-S409 WeakPolarHBondContact O-CB 3.5Å; A405-S409 PolarHBondContact O-N 3.45Å; I406-S409 WeakPolarHBondContact O-CB 3.23Å; I406-S409 PolarHBondContact O-N 2.96Å; W407-S409 VanDerWaalsContact C-N 3.32Å; W407-S409 PolarHBondContact O-N 2.92Å; S409-K412 WeakPolarHBondContact O-CB 3.31Å; S409-K412 PolarHBondContact O-N 2.85Å; S409-Q413 WeakPolarHBondContact O-CG 3.47Å; S409-Q413 PolarHBondContact O-N 3.04Å
410	K	89.5	Confident	74.3	Confident	119 Å²	119	85.1 Å²	85.1	52%	0.517	47%	0.466	S	S	.	.	H	α-helix	trans	-63.5	-43.5	174.7	-70.3	177.9	179.5	-177.7	0	112.5	I406 W407 F408 K412 Q413 Q414	I406-K410 HydrophobicContact CG2-CD 4.4Å; I406-K410 WeakPolarHBondContact O-CG 3.41Å; I406-K410 PolarHBondContact O-N 3.31Å; W407-K410 WeakPolarHBondContact O-CB 2.99Å; W407-K410 PolarHBondContact O-N 3.29Å; F408-K410 VanDerWaalsContact C-N 3.35Å; F408-K410 PolarHBondContact O-N 3.46Å; K410-K412 PolarHBondContact O-N 3.33Å; K410-Q413 PolarHBondContact O-N 3.07Å; K410-Q413 VanDerWaalsContact O-N 3.11Å; K410-Q414 WeakPolarHBondContact O-CG 3.49Å; K410-Q414 PolarHBondContact O-N 3.48Å
411	L	87.3	Confident	72.7	Confident	23 Å²	23	80.5 Å²	80.5	12%	0.12	46%	0.455	C	S	.	.	H	α-helix	trans	-60.8	-33.1	176.2	-71.3	175.5	0	0	0	112.3	V242 W407 F408 N415	V242-L411 HydrophobicContact CB-CD1 4.07Å; V242-L411 HydrophobicContact CG1-CD1 4.22Å; V242-L411 HydrophobicContact CG2-CD1 4.02Å; W407-L411 HydrophobicContact CD2-CD1 4.21Å; W407-L411 HydrophobicContact CZ2-CD1 4.08Å; W407-L411 WeakPolarHBondContact O-CG 3.23Å; W407-L411 PolarHBondContact O-N 3.01Å; F408-L411 HydrophobicContact CD1-CD1 4.02Å; F408-L411 HydrophobicContact CE1-CD1 4.5Å; F408-L411 PolarHBondContact O-N 3.39Å; L411-N415 PolarHBondContact O-ND2 2.99Å
412	K	83.4	Confident	70.6	Confident	79 Å²	79	80.1 Å²	80.1	34%	0.343	45%	0.453	S	S	.	.	H	α-helix	trans	-68.5	-45.8	172.4	-70.1	-178.8	178	-174	0	111	C246 Q248 F408 S409 K410 Q414 N415	C246-K412 WeakPolarHBondContact O-CE 3.28Å; Q248-K412 HydrophobicContact CB-CG 4.49Å; Q248-K412 HydrophobicContact CG-CB 3.73Å; Q248-K412 HydrophobicContact CG-CG 3.87Å; Q248-K412 PolarHBondContact NE2-O 2.88Å; Q248-K412 VanDerWaalsContact NE2-O 3.11Å; Q248-K412 PolarHBondContact OE1-O 3.43Å; F408-K412 VanDerWaalsContact O-CG 3.27Å; F408-K412 WeakPolarHBondContact O-CG 3.39Å; F408-K412 PolarHBondContact O-N 3.44Å; S409-K412 WeakPolarHBondContact O-CB 3.31Å; S409-K412 PolarHBondContact O-N 2.85Å; K410-K412 PolarHBondContact O-N 3.33Å; K412-Q414 PolarHBondContact O-N 3.02Å; K412-N415 PolarHBondContact O-N 3.42Å
413	Q	81.3	Confident	68.3	Low	140 Å²	140	82.6 Å²	82.6	65%	0.654	48%	0.476	S	S	*	.	H	α-helix	trans	-67	-35.5	-179.6	-70.5	173.4	-1.9	0	0	114.6	S409 K410 N415	S409-Q413 WeakPolarHBondContact O-CG 3.47Å; S409-Q413 PolarHBondContact O-N 3.04Å; K410-Q413 PolarHBondContact O-N 3.07Å; K410-Q413 VanDerWaalsContact O-N 3.11Å; Q413-N415 PolarHBondContact O-N 3.26Å
414	Q	73.8	Confident	65.7	Low	142 Å²	142	89.2 Å²	89.2	66%	0.664	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-12.1	-179.3	-74.7	177.4	-14.7	0	0	114.2	K410 K412	K410-Q414 WeakPolarHBondContact O-CG 3.49Å; K410-Q414 PolarHBondContact O-N 3.48Å; K412-Q414 PolarHBondContact O-N 3.02Å
415	N	62.7	Low	63	Low	41 Å²	41	96.3 Å²	96.3	22%	0.219	53%	0.533	C	S	.	.	S	Bend	trans	-136.7	67.3	-174.6	-61.7	-79.4	0	0	0	110.7	Q248 R249 L411 K412 Q413 V417	Q248-N415 PolarHBondContact OE1-O 2.73Å; R249-N415 HydrophobicContact CG-CB 4.48Å; R249-N415 PolarHBondContact NE-OD1 3.05Å; R249-N415 PolarHBondContact NH2-OD1 3.45Å; L411-N415 PolarHBondContact O-ND2 2.99Å; K412-N415 PolarHBondContact O-N 3.42Å; Q413-N415 PolarHBondContact O-N 3.26Å; N415-V417 PolarHBondContact O-N 3.04Å
416	P	48.7	Very low	60.5	Low	100 Å²	100	104.8 Å²	104.8	65%	0.649	57%	0.57	S	S	*	*			trans	-53.1	119.9	175.2	22.8	-30.9	0	0	0	108.1	T418	P416-T418 PolarHBondContact O-N 3.36Å
417	V	45	Very low	58.9	Low	83 Å²	83	105 Å²	105	50%	0.503	57%	0.573	S	S	.	*			trans	-52.2	114.1	164.6	178.6	0	0	0	0	104.9	Q248 N415 T419	Q248-V417 HydrophobicContact CB-CG2 4.16Å; Q248-V417 HydrophobicContact CG-CG2 4.44Å; N415-V417 PolarHBondContact O-N 3.04Å; V417-T419 HydrophobicContact CG1-CG2 4.2Å; V417-T419 PolarHBondContact O-N 3.48Å
418	T	42.2	Very low	57.2	Low	132 Å²	132	109.4 Å²	109.4	81%	0.81	60%	0.599	S	S	*	*			trans	-63.3	89.3	159.2	44.4	0	0	0	0	104.5	P416 S420	P416-T418 PolarHBondContact O-N 3.36Å; T418-S420 PolarHBondContact O-N 3.03Å
419	T	38.8	Very low	55.2	Low	102 Å²	102	114.9 Å²	114.9	63%	0.626	63%	0.63	S	S	*	*			trans	-58.3	98.8	160.6	46.3	0	0	0	0	103.3	V417 T421	V417-T419 HydrophobicContact CG1-CG2 4.2Å; V417-T419 PolarHBondContact O-N 3.48Å; T419-T421 PolarHBondContact O-N 3.36Å
420	S	37.3	Very low	53.2	Low	105 Å²	105	118.5 Å²	118.5	73%	0.734	65%	0.645	S	S	*	*			trans	-62.4	80.6	156.2	58.5	0	0	0	0	104.7	T418 N422	T418-S420 PolarHBondContact O-N 3.03Å; S420-N422 VanDerWaalsContact C-N 3.29Å; S420-N422 PolarHBondContact O-N 3.45Å
421	T	35.2	Very low	50.9	Low	109 Å²	109	118.4 Å²	118.4	67%	0.669	65%	0.653	S	S	*	*			trans	-54.3	108.5	155.3	41	0	0	0	0	103.8	T419 S423	T419-T421 PolarHBondContact O-N 3.36Å; T421-S423 PolarHBondContact O-N 3.34Å
422	N	34.4	Very low	48.5	Very low	152 Å²	152	124.8 Å²	124.8	81%	0.813	69%	0.688	S	S	*	*			trans	-52.5	88.2	155.8	-81.1	-19.4	0	0	0	105.9	S420 Q424	S420-N422 VanDerWaalsContact C-N 3.29Å; S420-N422 PolarHBondContact O-N 3.45Å; N422-Q424 PolarHBondContact O-N 3.33Å
423	S	37.5	Very low	46	Very low	97 Å²	97	128.1 Å²	128.1	68%	0.678	71%	0.713	S	S	*	*			trans	-69.3	89.8	158.1	54.1	0	0	0	0	104.7	T421 M425	T421-S423 PolarHBondContact O-N 3.34Å; S423-M425 VanDerWaalsContact C-N 3.26Å; S423-M425 PolarHBondContact O-N 3.43Å
424	Q	36.7	Very low	43.3	Very low	186 Å²	186	127.2 Å²	127.2	87%	0.869	72%	0.717	S	S	*	*			trans	-51.2	102.8	146.4	-72.1	177.7	-39.2	0	0	106.1	N422	N422-Q424 PolarHBondContact O-N 3.33Å
425	M	32.9	Very low	40.7	Very low	166 Å²	166	125.9 Å²	125.9	82%	0.818	72%	0.722	S	S	*	*			trans	-147.8	117.7	161.3	-102.6	-179.4	-175.4	0	0	108.6	S423	S423-M425 VanDerWaalsContact C-N 3.26Å; S423-M425 PolarHBondContact O-N 3.43Å
426	N	37.4	Very low	38.7	Very low	238 Å²	238	133.6 Å²	133.6	100%	1.273	77%	0.767	S	S	*	*			trans	76.7	0	170.9	-55.4	-15.4	0	0	0	116.9

Retrieved 426 of 426 residues in 135.7 ms (Link to these results)

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