A0A087YHI3_POEFO Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A087YHI3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 360 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	40	Very low	48.4	Very low	243 Å²	243	153.5 Å²	153.5	100%	1.197	74%	0.738	S	S	*	*				0	111.2	0	-74.6	171.8	178.9	0	0	109.7
2	R	34.2	Very low	49.2	Very low	252 Å²	252	143.4 Å²	143.4	95%	0.951	70%	0.695	S	S	*	*			trans	-179.5	71	155.3	-100.6	178.1	-159.5	-144.5	5.5	107.7	G4	R2-G4 VanDerWaalsContact C-N 3.34Å
3	L	39.6	Very low	50.6	Low	187 Å²	187	146.6 Å²	146.6	98%	0.979	70%	0.696	S	S	*	*			trans	-96.5	23.3	176.9	-109.6	145	0	0	0	112
4	G	39.9	Very low	51.5	Low	66 Å²	66	140.3 Å²	140.3	68%	0.68	68%	0.68	S	S	*	*			trans	-101.7	-8.4	-162.2	0	0	0	0	0	118.2	R2	R2-G4 VanDerWaalsContact C-N 3.34Å
5	S	48.5	Very low	52	Low	85 Å²	85	139 Å²	139	59%	0.594	68%	0.675	S	S	*	*	S	Bend	trans	-114.9	-16.5	-168.2	58.4	0	0	0	0	116.3
6	S	57.4	Low	52.9	Low	77 Å²	77	139.1 Å²	139.1	54%	0.538	67%	0.665	S	S	.	*	H	α-helix	trans	-74.2	-45.2	-172.2	178.3	0	0	0	0	113.5	R8 W9 Q10	S6-R8 PolarHBondContact O-N 2.97Å; S6-W9 PolarHBondContact O-N 3.17Å; S6-Q10 PolarHBondContact O-N 3.37Å
7	W	48.2	Very low	53.7	Low	189 Å²	189	137.5 Å²	137.5	72%	0.716	66%	0.661	S	S	*	*	H	α-helix	trans	-66.5	-40.8	-172.6	-176.4	-108.6	0	0	0	113.3	W9 Q10 L11	W7-W9 VanDerWaalsContact C-N 3.31Å; W7-W9 PolarHBondContact O-N 3.09Å; W7-Q10 PolarHBondContact O-N 3.15Å; W7-L11 VanDerWaalsContact CD1-CD1 3.45Å; W7-L11 HydrophobicContact CD2-CD1 4.4Å; W7-L11 HydrophobicContact CG-CD1 4.24Å; W7-L11 HydrophobicContact CZ2-CD1 4.35Å; W7-L11 WeakPolarHBondContact O-CB 3.45Å; W7-L11 PolarHBondContact O-N 2.98Å
8	R	50.6	Low	54.3	Low	203 Å²	203	132.9 Å²	132.9	77%	0.766	65%	0.65	S	S	*	*	H	α-helix	trans	-62.7	-38.2	176.3	-73.9	-179	162.1	-133.7	-2.4	112	S6 S12	S6-R8 PolarHBondContact O-N 2.97Å; R8-S12 WeakPolarHBondContact O-CB 3.47Å; R8-S12 PolarHBondContact O-N 2.83Å
9	W	52.4	Low	54.8	Low	178 Å²	178	130.6 Å²	130.6	67%	0.674	64%	0.64	S	S	*	*	H	α-helix	trans	-68	-43.5	176.3	-95.8	89.2	0	0	0	112	S6 W7 S12 R13	S6-W9 PolarHBondContact O-N 3.17Å; W7-W9 VanDerWaalsContact C-N 3.31Å; W7-W9 PolarHBondContact O-N 3.09Å; W9-S12 PolarHBondContact O-N 2.78Å; W9-S12 PolarHBondContact O-OG 3.25Å; W9-R13 PolarHBondContact O-N 3.19Å; W9-R13 VanDerWaalsContact O-N 3.16Å
10	Q	61.1	Low	55.3	Low	127 Å²	127	133.7 Å²	133.7	59%	0.593	64%	0.644	S	S	*	*	H	α-helix	trans	-68	-42.1	177.1	-66.2	-150.2	-2.8	0	0	112.7	S6 W7 S12 R13 A14	S6-Q10 PolarHBondContact O-N 3.37Å; W7-Q10 PolarHBondContact O-N 3.15Å; Q10-S12 VanDerWaalsContact C-N 3.31Å; Q10-S12 PolarHBondContact O-N 3.02Å; Q10-R13 PolarHBondContact O-N 3.38Å; Q10-R13 VanDerWaalsContact O-N 3.17Å; Q10-A14 WeakPolarHBondContact O-CB 3.44Å; Q10-A14 PolarHBondContact O-N 3.28Å
11	L	60.7	Low	55.5	Low	81 Å²	81	132 Å²	132	42%	0.424	64%	0.638	S	S	.	*	H	α-helix	trans	-58.4	-41.4	171.8	-94.6	165.2	0	0	0	112.1	W7 R13 A14 M15	W7-L11 VanDerWaalsContact CD1-CD1 3.45Å; W7-L11 HydrophobicContact CD2-CD1 4.4Å; W7-L11 HydrophobicContact CG-CD1 4.24Å; W7-L11 HydrophobicContact CZ2-CD1 4.35Å; W7-L11 WeakPolarHBondContact O-CB 3.45Å; W7-L11 PolarHBondContact O-N 2.98Å; L11-R13 VanDerWaalsContact C-N 3.31Å; L11-R13 PolarHBondContact O-N 3.14Å; L11-A14 PolarHBondContact O-N 3.33Å; L11-M15 WeakPolarHBondContact O-CB 3.43Å; L11-M15 PolarHBondContact O-N 3.27Å
12	S	57.5	Low	56.2	Low	33 Å²	33	130 Å²	130	23%	0.231	62%	0.617	C	S	.	*	H	α-helix	trans	-66.4	-31.8	178.4	81.9	0	0	0	0	112.9	R8 W9 Q10 R16	R8-S12 WeakPolarHBondContact O-CB 3.47Å; R8-S12 PolarHBondContact O-N 2.83Å; W9-S12 PolarHBondContact O-N 2.78Å; W9-S12 PolarHBondContact O-OG 3.25Å; Q10-S12 VanDerWaalsContact C-N 3.31Å; Q10-S12 PolarHBondContact O-N 3.02Å; S12-R16 WeakPolarHBondContact O-CB 3.48Å; S12-R16 VanDerWaalsContact O-CG 3.29Å; S12-R16 WeakPolarHBondContact O-CG 3.33Å; S12-R16 PolarHBondContact O-N 3.49Å; S12-R16 VanDerWaalsContact O-N 3.08Å; S12-R16 PolarHBondContact O-NE 3.47Å; S12-R16 PolarHBondContact OG-NH2 3.31Å
13	R	67.1	Low	57.3	Low	185 Å²	185	127.7 Å²	127.7	70%	0.698	61%	0.608	S	S	*	*	H	α-helix	trans	-76.2	-41.5	175.2	-71.1	-174.5	99	-170.7	7.3	110.5	W9 Q10 L11 R16 L17	W9-R13 PolarHBondContact O-N 3.19Å; W9-R13 VanDerWaalsContact O-N 3.16Å; Q10-R13 PolarHBondContact O-N 3.38Å; Q10-R13 VanDerWaalsContact O-N 3.17Å; L11-R13 VanDerWaalsContact C-N 3.31Å; L11-R13 PolarHBondContact O-N 3.14Å; R13-R16 PolarHBondContact O-N 3.39Å; R13-L17 WeakPolarHBondContact O-CB 3.33Å; R13-L17 PolarHBondContact O-N 3.1Å
14	A	63.3	Low	58	Low	58 Å²	58	123.2 Å²	123.2	48%	0.479	59%	0.585	S	S	.	*	H	α-helix	trans	-61.8	-44.8	174.1	0	0	0	0	0	111.8	Q10 L11 L17 A18	Q10-A14 WeakPolarHBondContact O-CB 3.44Å; Q10-A14 PolarHBondContact O-N 3.28Å; L11-A14 PolarHBondContact O-N 3.33Å; A14-L17 PolarHBondContact O-N 2.96Å; A14-A18 VanDerWaalsContact O-CB 3.28Å; A14-A18 WeakPolarHBondContact O-CB 3.08Å; A14-A18 PolarHBondContact O-N 3.29Å
15	M	59.6	Low	58.5	Low	121 Å²	121	125 Å²	125	60%	0.596	59%	0.586	S	S	*	*	H	α-helix	trans	-61.9	-43	173.2	-100.4	176	71.1	0	0	112	L11 L17 A18 L19	L11-M15 WeakPolarHBondContact O-CB 3.43Å; L11-M15 PolarHBondContact O-N 3.27Å; M15-L17 VanDerWaalsContact C-N 3.33Å; M15-L17 PolarHBondContact O-N 3.31Å; M15-A18 PolarHBondContact O-N 3.42Å; M15-L19 VanDerWaalsContact O-CB 3.28Å; M15-L19 WeakPolarHBondContact O-CB 3.49Å; M15-L19 WeakPolarHBondContact O-CG 3.5Å; M15-L19 PolarHBondContact O-N 3.45Å
16	R	66.3	Low	58.6	Low	140 Å²	140	130.7 Å²	130.7	53%	0.528	59%	0.594	S	S	.	*	H	α-helix	trans	-65.8	-35.9	176.8	-81.7	-179.7	-84.3	-141.3	4.8	112.5	S12 R13 R20	S12-R16 WeakPolarHBondContact O-CB 3.48Å; S12-R16 VanDerWaalsContact O-CG 3.29Å; S12-R16 WeakPolarHBondContact O-CG 3.33Å; S12-R16 PolarHBondContact O-N 3.49Å; S12-R16 VanDerWaalsContact O-N 3.08Å; S12-R16 PolarHBondContact O-NE 3.47Å; S12-R16 PolarHBondContact OG-NH2 3.31Å; R13-R16 PolarHBondContact O-N 3.39Å; R16-R20 WeakPolarHBondContact O-CB 3.43Å; R16-R20 WeakPolarHBondContact O-CG 3.25Å; R16-R20 PolarHBondContact O-N 3.39Å
17	L	66.4	Low	57.9	Low	113 Å²	113	132.9 Å²	132.9	59%	0.592	61%	0.606	S	S	*	*	H	α-helix	trans	-68.6	-45.3	174.3	-146.8	86.9	0	0	0	110.8	R13 A14 M15 L19 R20 L21	R13-L17 WeakPolarHBondContact O-CB 3.33Å; R13-L17 PolarHBondContact O-N 3.1Å; A14-L17 PolarHBondContact O-N 2.96Å; M15-L17 VanDerWaalsContact C-N 3.33Å; M15-L17 PolarHBondContact O-N 3.31Å; L17-L19 PolarHBondContact O-N 3.39Å; L17-R20 PolarHBondContact O-N 3.39Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 VanDerWaalsContact O-CG 3.32Å; L17-L21 WeakPolarHBondContact O-CG 3.26Å; L17-L21 PolarHBondContact O-N 3.35Å
18	A	64.1	Low	58	Low	55 Å²	55	132.5 Å²	132.5	46%	0.455	61%	0.613	S	S	.	*	H	α-helix	trans	-63.4	-39.1	176.8	0	0	0	0	0	112.2	A14 M15 L21 R22	A14-A18 VanDerWaalsContact O-CB 3.28Å; A14-A18 WeakPolarHBondContact O-CB 3.08Å; A14-A18 PolarHBondContact O-N 3.29Å; M15-A18 PolarHBondContact O-N 3.42Å; A18-L21 PolarHBondContact O-N 3.38Å; A18-R22 WeakPolarHBondContact O-CB 3.12Å; A18-R22 PolarHBondContact O-N 3.41Å
19	L	64.1	Low	57.9	Low	89 Å²	89	132.6 Å²	132.6	47%	0.466	62%	0.622	S	S	.	*	H	α-helix	trans	-69.1	-35.9	174.3	-73.3	168.1	0	0	0	112.2	M15 L17 R23	M15-L19 VanDerWaalsContact O-CB 3.28Å; M15-L19 WeakPolarHBondContact O-CB 3.49Å; M15-L19 WeakPolarHBondContact O-CG 3.5Å; M15-L19 PolarHBondContact O-N 3.45Å; L17-L19 PolarHBondContact O-N 3.39Å; L19-R23 WeakPolarHBondContact O-CG 3.48Å; L19-R23 PolarHBondContact O-N 3.23Å
20	R	65.5	Low	57.7	Low	191 Å²	191	127 Å²	127	72%	0.721	62%	0.619	S	S	*	*	H	α-helix	trans	-67	-40.7	171.7	-85.8	-176.4	174.3	-174.8	-1.8	111.9	R16 L17 R23 L24	R16-R20 WeakPolarHBondContact O-CB 3.43Å; R16-R20 WeakPolarHBondContact O-CG 3.25Å; R16-R20 PolarHBondContact O-N 3.39Å; L17-R20 PolarHBondContact O-N 3.39Å; R20-R23 PolarHBondContact O-N 2.94Å; R20-L24 PolarHBondContact O-N 3.44Å; R20-L24 VanDerWaalsContact O-N 3.08Å
21	L	58.1	Low	57.1	Low	98 Å²	98	125.3 Å²	125.3	51%	0.513	64%	0.636	S	S	.	*	H	α-helix	trans	-65.6	-41.5	174.3	-73	163.5	0	0	0	111.3	L17 A18 R23 L24 C25	L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 VanDerWaalsContact O-CG 3.32Å; L17-L21 WeakPolarHBondContact O-CG 3.26Å; L17-L21 PolarHBondContact O-N 3.35Å; A18-L21 PolarHBondContact O-N 3.38Å; L21-R23 PolarHBondContact O-N 2.82Å; L21-L24 WeakPolarHBondContact O-CB 3.42Å; L21-L24 PolarHBondContact O-N 2.97Å; L21-C25 PolarHBondContact O-N 2.96Å; L21-C25 VanDerWaalsContact O-N 3.1Å; L21-C25 PolarHBondContact O-SG 2.85Å
22	R	56.1	Low	56.6	Low	201 Å²	201	124.6 Å²	124.6	76%	0.758	65%	0.648	S	S	*	*	H	α-helix	trans	-63.4	-37	173.9	-114.8	-178.5	170.3	-179.8	-2.8	113.1	A18 L24 C25 R26	A18-R22 WeakPolarHBondContact O-CB 3.12Å; A18-R22 PolarHBondContact O-N 3.41Å; R22-L24 VanDerWaalsContact C-N 3.33Å; R22-C25 PolarHBondContact O-N 3.39Å; R22-R26 PolarHBondContact O-N 3.27Å
23	R	57.5	Low	56.3	Low	204 Å²	204	131.1 Å²	131.1	77%	0.77	67%	0.668	S	S	*	*	H	α-helix	trans	-69.1	-30	174.3	-76.3	-177.7	-167.9	-162.8	3.2	112.7	L19 R20 L21 C25	L19-R23 WeakPolarHBondContact O-CG 3.48Å; L19-R23 PolarHBondContact O-N 3.23Å; R20-R23 PolarHBondContact O-N 2.94Å; L21-R23 PolarHBondContact O-N 2.82Å; R23-C25 VanDerWaalsContact C-N 3.32Å
24	L	54.3	Low	55.8	Low	93 Å²	93	127.2 Å²	127.2	49%	0.487	66%	0.664	S	S	.	*	H	α-helix	trans	-72.9	-24.6	172.5	-79.4	158.8	0	0	0	112.9	R20 L21 R22	R20-L24 PolarHBondContact O-N 3.44Å; R20-L24 VanDerWaalsContact O-N 3.08Å; L21-L24 WeakPolarHBondContact O-CB 3.42Å; L21-L24 PolarHBondContact O-N 2.97Å; R22-L24 VanDerWaalsContact C-N 3.33Å
25	C	49.4	Very low	55.6	Low	103 Å²	103	126.9 Å²	126.9	70%	0.696	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	9.9	179.4	-60.6	0	0	0	0	114.5	L21 R22 R23	L21-C25 PolarHBondContact O-N 2.96Å; L21-C25 VanDerWaalsContact O-N 3.1Å; L21-C25 PolarHBondContact O-SG 2.85Å; R22-C25 PolarHBondContact O-N 3.39Å; R23-C25 VanDerWaalsContact C-N 3.32Å
26	R	50.1	Low	55.8	Low	206 Å²	206	125.6 Å²	125.6	78%	0.777	67%	0.665	S	S	*	*			trans	-76.2	121.6	176.8	-148.1	179.1	-173	-177.6	1.1	108.6	R22 Q28	R22-R26 PolarHBondContact O-N 3.27Å; R26-Q28 PolarHBondContact O-N 3.38Å
27	P	44.3	Very low	55.8	Low	122 Å²	122	124.3 Å²	124.3	79%	0.792	66%	0.66	S	S	*	*			trans	-69.4	123.4	178.4	28.2	-31	0	0	0	108
28	Q	50.3	Low	56.1	Low	181 Å²	181	124.6 Å²	124.6	85%	0.846	66%	0.662	S	S	*	*			trans	-116.7	129.2	166.5	-163.6	170.2	-9.2	0	0	105.8	R26 G30	R26-Q28 PolarHBondContact O-N 3.38Å; Q28-G30 PolarHBondContact O-N 2.97Å
29	E	47.8	Very low	56.3	Low	205 Å²	205	124.1 Å²	124.1	96%	0.958	66%	0.655	S	S	*	*	S	Bend	trans	-55.3	119.7	-176.1	-66.3	178.8	148.2	0	0	110.1
30	G	48	Very low	56.7	Low	60 Å²	60	122.5 Å²	122.5	62%	0.619	65%	0.654	S	S	*	*			trans	146.9	82.6	-173.9	0	0	0	0	0	112	Q28 G32	Q28-G30 PolarHBondContact O-N 2.97Å; G30-G32 PolarHBondContact O-N 3.44Å
31	G	49.3	Very low	57.2	Low	93 Å²	93	116.3 Å²	116.3	96%	0.959	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	121.2	178.9	0	0	0	0	0	112.1
32	G	49.9	Very low	58	Low	65 Å²	65	120.9 Å²	120.9	67%	0.67	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	144.8	-21.4	173.1	0	0	0	0	0	115	G30	G30-G32 PolarHBondContact O-N 3.44Å
33	W	51.4	Low	59.1	Low	171 Å²	171	119.8 Å²	119.8	65%	0.648	65%	0.651	S	S	*	*	S	Bend	trans	-99.4	-17.1	-167.7	-130	56.7	0	0	0	115.7	R37	W33-R37 PolarHBondContact O-N 3.28Å
34	V	55.8	Low	60	Low	103 Å²	103	117.2 Å²	117.2	62%	0.624	64%	0.642	S	S	*	*	H	α-helix	trans	-72.2	-40.6	-177	179	0	0	0	0	111.9	V36 R37 L38	V34-V36 VanDerWaalsContact C-N 3.33Å; V34-V36 PolarHBondContact O-N 3.28Å; V34-R37 PolarHBondContact O-N 3.24Å; V34-L38 HydrophobicContact CG1-CD1 3.99Å; V34-L38 PolarHBondContact O-N 2.94Å
35	G	59.6	Low	61.2	Low	51 Å²	51	114.2 Å²	114.2	53%	0.526	63%	0.634	S	S	.	*	H	α-helix	trans	-64.3	-36.7	176.8	0	0	0	0	0	113	S39	G35-S39 WeakPolarHBondContact O-CB 3.3Å; G35-S39 PolarHBondContact O-N 3.43Å
36	V	63.2	Low	62.6	Low	93 Å²	93	114.4 Å²	114.4	56%	0.564	62%	0.623	S	S	*	*	H	α-helix	trans	-67.7	-41.1	176.1	-178.9	0	0	0	0	111	V34 S39 A40	V34-V36 VanDerWaalsContact C-N 3.33Å; V34-V36 PolarHBondContact O-N 3.28Å; V36-S39 PolarHBondContact O-N 3.32Å; V36-A40 VanDerWaalsContact O-CB 3.26Å; V36-A40 WeakPolarHBondContact O-CB 3.44Å; V36-A40 PolarHBondContact O-N 2.85Å
37	R	66.9	Low	64.1	Low	113 Å²	113	110 Å²	110	43%	0.426	61%	0.614	S	S	.	*	H	α-helix	trans	-66.9	-42.1	176.1	-90	-179.8	158	170	-2.4	113.4	W33 V34 A40 A41	W33-R37 PolarHBondContact O-N 3.28Å; V34-R37 PolarHBondContact O-N 3.24Å; R37-A40 PolarHBondContact O-N 3.19Å; R37-A41 VanDerWaalsContact O-CB 3.29Å; R37-A41 WeakPolarHBondContact O-CB 3.4Å; R37-A41 PolarHBondContact O-N 3.23Å
38	L	71.4	Confident	65.5	Low	120 Å²	120	108 Å²	108	63%	0.628	60%	0.596	S	S	*	*	H	α-helix	trans	-65.3	-42.6	174.9	-81.2	162.4	0	0	0	111.4	V34 A41 W42	V34-L38 HydrophobicContact CG1-CD1 3.99Å; V34-L38 PolarHBondContact O-N 2.94Å; L38-A41 PolarHBondContact O-N 3.49Å; L38-W42 VanDerWaalsContact O-CB 3.28Å; L38-W42 WeakPolarHBondContact O-CB 3.47Å; L38-W42 PolarHBondContact O-N 3.43Å
39	S	70.3	Confident	66.6	Low	45 Å²	45	104.7 Å²	104.7	32%	0.315	58%	0.584	S	S	.	*	H	α-helix	trans	-62	-42.7	174	178.4	0	0	0	0	112	G35 V36 W42 R43	G35-S39 WeakPolarHBondContact O-CB 3.3Å; G35-S39 PolarHBondContact O-N 3.43Å; V36-S39 PolarHBondContact O-N 3.32Å; S39-W42 PolarHBondContact O-N 2.9Å; S39-R43 WeakPolarHBondContact O-CB 3.49Å; S39-R43 WeakPolarHBondContact O-CG 3.33Å; S39-R43 PolarHBondContact O-N 2.91Å; S39-R43 PolarHBondContact OG-NE 3.29Å
40	A	72.6	Confident	67.7	Low	54 Å²	54	101.2 Å²	101.2	45%	0.446	56%	0.562	S	S	.	*	H	α-helix	trans	-66.4	-43.2	176.3	0	0	0	0	0	112.1	V36 R37 W42 R43 Y44	V36-A40 VanDerWaalsContact O-CB 3.26Å; V36-A40 WeakPolarHBondContact O-CB 3.44Å; V36-A40 PolarHBondContact O-N 2.85Å; R37-A40 PolarHBondContact O-N 3.19Å; A40-W42 VanDerWaalsContact C-N 3.35Å; A40-R43 PolarHBondContact O-N 3.39Å; A40-Y44 VanDerWaalsContact O-CB 3.26Å; A40-Y44 WeakPolarHBondContact O-CB 3.47Å; A40-Y44 PolarHBondContact O-N 3.2Å
41	A	75.1	Confident	68.7	Low	61 Å²	61	101.6 Å²	101.6	50%	0.504	56%	0.555	S	S	.	*	H	α-helix	trans	-63.9	-39.4	175.3	0	0	0	0	0	111.9	R37 L38 G45	R37-A41 VanDerWaalsContact O-CB 3.29Å; R37-A41 WeakPolarHBondContact O-CB 3.4Å; R37-A41 PolarHBondContact O-N 3.23Å; L38-A41 PolarHBondContact O-N 3.49Å; A41-G45 PolarHBondContact O-N 3.05Å
42	W	74.2	Confident	69.3	Low	195 Å²	195	101.3 Å²	101.3	74%	0.739	53%	0.531	S	S	*	.	H	α-helix	trans	-66	-44.7	174.2	179.8	-102.1	0	0	0	112.1	L38 S39 A40 G45 K46	L38-W42 VanDerWaalsContact O-CB 3.28Å; L38-W42 WeakPolarHBondContact O-CB 3.47Å; L38-W42 PolarHBondContact O-N 3.43Å; S39-W42 PolarHBondContact O-N 2.9Å; A40-W42 VanDerWaalsContact C-N 3.35Å; W42-G45 PolarHBondContact O-N 3.14Å; W42-K46 WeakPolarHBondContact O-CB 3.49Å; W42-K46 PolarHBondContact O-N 3.05Å
43	R	78.8	Confident	69.9	Low	178 Å²	178	103.3 Å²	103.3	67%	0.672	52%	0.519	S	S	*	.	H	α-helix	trans	-63.5	-42.4	176.3	-73.3	171.1	-173.3	-165.4	0.3	111.6	S39 A40 K46 L47	S39-R43 WeakPolarHBondContact O-CB 3.49Å; S39-R43 WeakPolarHBondContact O-CG 3.33Å; S39-R43 PolarHBondContact O-N 2.91Å; S39-R43 PolarHBondContact OG-NE 3.29Å; A40-R43 PolarHBondContact O-N 3.39Å; R43-K46 PolarHBondContact O-N 3.25Å; R43-L47 WeakPolarHBondContact O-CB 3.49Å; R43-L47 PolarHBondContact O-N 3.06Å
44	Y	77.6	Confident	70.1	Confident	149 Å²	149	105.1 Å²	105.1	58%	0.584	53%	0.527	S	S	*	.	H	α-helix	trans	-68	-41.7	176.2	-172	-104.9	0	0	0	111.9	A40 L47 L48	A40-Y44 VanDerWaalsContact O-CB 3.26Å; A40-Y44 WeakPolarHBondContact O-CB 3.47Å; A40-Y44 PolarHBondContact O-N 3.2Å; Y44-L47 WeakPolarHBondContact O-CB 3.23Å; Y44-L47 PolarHBondContact O-N 3.37Å; Y44-L48 HydrophobicContact CD1-CD1 3.74Å; Y44-L48 HydrophobicContact CD1-CG 4.34Å; Y44-L48 HydrophobicContact CE1-CD1 3.43Å; Y44-L48 VanDerWaalsContact CE1-CD1 3.43Å; Y44-L48 HydrophobicContact CE1-CG 4.06Å; Y44-L48 WeakPolarHBondContact O-CB 3.39Å; Y44-L48 WeakPolarHBondContact O-CG 3.49Å; Y44-L48 PolarHBondContact O-N 3.38Å
45	G	79.3	Confident	70.3	Confident	31 Å²	31	104 Å²	104	32%	0.32	52%	0.518	S	S	.	.	H	α-helix	trans	-62.4	-41.8	172.9	0	0	0	0	0	112	A41 W42 L48 L49	A41-G45 PolarHBondContact O-N 3.05Å; W42-G45 PolarHBondContact O-N 3.14Å; G45-L48 PolarHBondContact O-N 2.71Å; G45-L49 WeakPolarHBondContact O-CB 3.23Å; G45-L49 PolarHBondContact O-N 3.48Å
46	K	79.6	Confident	70.1	Confident	107 Å²	107	106.9 Å²	106.9	47%	0.465	53%	0.53	S	S	.	.	H	α-helix	trans	-63.3	-41.5	173.5	-172.6	173.1	-176.4	175.4	0	111.3	W42 R43 L49 R50	W42-K46 WeakPolarHBondContact O-CB 3.49Å; W42-K46 PolarHBondContact O-N 3.05Å; R43-K46 PolarHBondContact O-N 3.25Å; K46-L49 PolarHBondContact O-N 3.49Å; K46-R50 HydrophobicContact CG-CG 4.47Å; K46-R50 WeakPolarHBondContact O-CB 3.22Å; K46-R50 WeakPolarHBondContact O-CG 3.37Å; K46-R50 PolarHBondContact O-N 2.77Å
47	L	80.4	Confident	69.6	Low	112 Å²	112	109 Å²	109	59%	0.586	54%	0.537	S	S	*	.	H	α-helix	trans	-64.6	-42.2	175.5	-169.9	78.4	0	0	0	111.7	R43 Y44 R50 S51	R43-L47 WeakPolarHBondContact O-CB 3.49Å; R43-L47 PolarHBondContact O-N 3.06Å; Y44-L47 WeakPolarHBondContact O-CB 3.23Å; Y44-L47 PolarHBondContact O-N 3.37Å; L47-R50 CarbonylContact O-C 3.58Å; L47-R50 WeakPolarHBondContact O-CB 3.12Å; L47-R50 PolarHBondContact O-N 3.28Å; L47-S51 WeakPolarHBondContact O-CB 3.25Å; L47-S51 PolarHBondContact O-N 3.43Å; L47-S51 PolarHBondContact O-OG 2.83Å
48	L	74.5	Confident	69.3	Low	81 Å²	81	106.2 Å²	106.2	42%	0.424	53%	0.533	S	S	.	.	H	α-helix	trans	-63.6	-41.8	173.6	-78	171.6	0	0	0	111.8	Y44 G45 R50 S51 L52	Y44-L48 HydrophobicContact CD1-CD1 3.74Å; Y44-L48 HydrophobicContact CD1-CG 4.34Å; Y44-L48 HydrophobicContact CE1-CD1 3.43Å; Y44-L48 VanDerWaalsContact CE1-CD1 3.43Å; Y44-L48 HydrophobicContact CE1-CG 4.06Å; Y44-L48 WeakPolarHBondContact O-CB 3.39Å; Y44-L48 WeakPolarHBondContact O-CG 3.49Å; Y44-L48 PolarHBondContact O-N 3.38Å; G45-L48 PolarHBondContact O-N 2.71Å; L48-R50 VanDerWaalsContact C-N 3.31Å; L48-R50 PolarHBondContact O-N 2.62Å; L48-S51 WeakPolarHBondContact CA-OG 3.44Å; L48-S51 PolarHBondContact O-N 2.85Å; L48-S51 PolarHBondContact O-OG 3.49Å; L48-L52 VanDerWaalsContact O-CG 3.25Å; L48-L52 WeakPolarHBondContact O-CG 3.41Å; L48-L52 PolarHBondContact O-N 2.97Å
49	L	71.9	Confident	69.2	Low	112 Å²	112	103.2 Å²	103.2	59%	0.586	52%	0.518	S	S	*	.	H	α-helix	trans	-61.5	-45	173.6	-139.5	90.7	0	0	0	109.9	G45 K46 L52 Y53	G45-L49 WeakPolarHBondContact O-CB 3.23Å; G45-L49 PolarHBondContact O-N 3.48Å; K46-L49 PolarHBondContact O-N 3.49Å; L49-L52 WeakPolarHBondContact O-CB 3.3Å; L49-L52 PolarHBondContact O-N 3.45Å; L49-Y53 VanDerWaalsContact C-CE1 3.48Å; L49-Y53 WeakPolarHBondContact O-CD1 3.11Å; L49-Y53 WeakPolarHBondContact O-CE1 3.22Å
50	R	71.3	Confident	69.3	Low	131 Å²	131	104.4 Å²	104.4	49%	0.494	53%	0.526	S	S	.	.	H	α-helix	trans	-59.7	-43.7	176.6	-63.8	-123.9	170.5	130.5	-15.7	112.9	K46 L47 L48 L52 Y53 Y54	K46-R50 HydrophobicContact CG-CG 4.47Å; K46-R50 WeakPolarHBondContact O-CB 3.22Å; K46-R50 WeakPolarHBondContact O-CG 3.37Å; K46-R50 PolarHBondContact O-N 2.77Å; L47-R50 CarbonylContact O-C 3.58Å; L47-R50 WeakPolarHBondContact O-CB 3.12Å; L47-R50 PolarHBondContact O-N 3.28Å; L48-R50 VanDerWaalsContact C-N 3.31Å; L48-R50 PolarHBondContact O-N 2.62Å; R50-L52 VanDerWaalsContact C-N 3.31Å; R50-L52 PolarHBondContact O-N 2.88Å; R50-Y53 VanDerWaalsContact CA-CE1 3.41Å; R50-Y53 HydrophobicContact CB-CE1 4.4Å; R50-Y53 HydrophobicContact CB-CE2 4.33Å; R50-Y53 WeakPolarHBondContact CD-OH 3.28Å; R50-Y53 HydrophobicContact CG-CE1 4.44Å; R50-Y53 WeakPolarHBondContact CG-OH 3.33Å; R50-Y53 PolarHBondContact NE-OH 2.91Å; R50-Y53 PolarHBondContact O-N 3.31Å; R50-Y54 WeakPolarHBondContact O-CB 3.5Å; R50-Y54 PolarHBondContact O-N 3.49Å; R50-Y54 VanDerWaalsContact O-N 3.14Å
51	S	70.2	Confident	69.2	Low	68 Å²	68	105.6 Å²	105.6	48%	0.476	53%	0.525	S	S	.	.	H	α-helix	trans	-70.8	-28.2	-179.8	63.3	0	0	0	0	112.4	L47 L48 Y53	L47-S51 WeakPolarHBondContact O-CB 3.25Å; L47-S51 PolarHBondContact O-N 3.43Å; L47-S51 PolarHBondContact O-OG 2.83Å; L48-S51 WeakPolarHBondContact CA-OG 3.44Å; L48-S51 PolarHBondContact O-N 2.85Å; L48-S51 PolarHBondContact O-OG 3.49Å; S51-Y53 VanDerWaalsContact C-N 3.29Å; S51-Y53 PolarHBondContact O-N 3.47Å
52	L	62	Low	69.1	Low	87 Å²	87	105 Å²	105	46%	0.455	52%	0.515	S	S	.	.	H	α-helix	trans	-65.5	-27.7	173.8	-72.5	166.1	0	0	0	113.2	L48 L49 R50 T58 L63	L48-L52 VanDerWaalsContact O-CG 3.25Å; L48-L52 WeakPolarHBondContact O-CG 3.41Å; L48-L52 PolarHBondContact O-N 2.97Å; L49-L52 WeakPolarHBondContact O-CB 3.3Å; L49-L52 PolarHBondContact O-N 3.45Å; R50-L52 VanDerWaalsContact C-N 3.31Å; R50-L52 PolarHBondContact O-N 2.88Å; L52-T58 VanDerWaalsContact O-CB 3.28Å; L52-T58 WeakPolarHBondContact O-CB 3.11Å; L52-T58 PolarHBondContact O-OG1 2.99Å; L52-L63 HydrophobicContact CB-CD1 4.03Å
53	Y	62.1	Low	69.1	Low	107 Å²	107	99.1 Å²	99.1	42%	0.42	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	4	177.7	60.4	-107.2	0	0	0	115.3	L49 R50 S51 N55 T58	L49-Y53 VanDerWaalsContact C-CE1 3.48Å; L49-Y53 WeakPolarHBondContact O-CD1 3.11Å; L49-Y53 WeakPolarHBondContact O-CE1 3.22Å; R50-Y53 VanDerWaalsContact CA-CE1 3.41Å; R50-Y53 HydrophobicContact CB-CE1 4.4Å; R50-Y53 HydrophobicContact CB-CE2 4.33Å; R50-Y53 WeakPolarHBondContact CD-OH 3.28Å; R50-Y53 HydrophobicContact CG-CE1 4.44Å; R50-Y53 WeakPolarHBondContact CG-OH 3.33Å; R50-Y53 PolarHBondContact NE-OH 2.91Å; R50-Y53 PolarHBondContact O-N 3.31Å; S51-Y53 VanDerWaalsContact C-N 3.29Å; S51-Y53 PolarHBondContact O-N 3.47Å; Y53-N55 VanDerWaalsContact C-N 3.34Å; Y53-N55 PolarHBondContact O-N 2.68Å; Y53-T58 CarbonylContact C-O 3.44Å; Y53-T58 WeakPolarHBondContact CA-O 3.41Å
54	Y	56.4	Low	69.2	Low	209 Å²	209	95.1 Å²	95.1	82%	0.82	49%	0.489	S	S	*	.	S	Bend	trans	-77.5	-18	-174.2	-171.8	-103.6	0	0	0	113.5	R50	R50-Y54 WeakPolarHBondContact O-CB 3.5Å; R50-Y54 PolarHBondContact O-N 3.49Å; R50-Y54 VanDerWaalsContact O-N 3.14Å
55	N	59	Low	69.2	Low	79 Å²	79	92.4 Å²	92.4	42%	0.422	49%	0.485	S	S	.	.	B	Isolated β-bridge	trans	-98.5	141.7	-176.3	-165.2	-5.4	0	0	0	111.4	Y53 L57 T58	Y53-N55 VanDerWaalsContact C-N 3.34Å; Y53-N55 PolarHBondContact O-N 2.68Å; N55-L57 PolarHBondContact O-N 3.46Å; N55-L57 PolarHBondContact OD1-N 3.12Å; N55-T58 CarbonylContact O-C 3.45Å; N55-T58 PolarHBondContact O-N 3.28Å
56	S	55.8	Low	69.2	Low	112 Å²	112	94.7 Å²	94.7	78%	0.783	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-23.4	170	64.2	0	0	0	0	114
57	L	53.1	Low	69.4	Low	137 Å²	137	93 Å²	93	72%	0.717	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-18.5	179.8	-65	172	0	0	0	114.7	N55	N55-L57 PolarHBondContact O-N 3.46Å; N55-L57 PolarHBondContact OD1-N 3.12Å
58	T	59.1	Low	69.8	Low	56 Å²	56	92.3 Å²	92.3	34%	0.344	49%	0.494	S	S	.	.	B	Isolated β-bridge	trans	-132.2	85.8	175.3	39	0	0	0	0	107.1	L52 Y53 N55 T62	L52-T58 VanDerWaalsContact O-CB 3.28Å; L52-T58 WeakPolarHBondContact O-CB 3.11Å; L52-T58 PolarHBondContact O-OG1 2.99Å; Y53-T58 CarbonylContact C-O 3.44Å; Y53-T58 WeakPolarHBondContact CA-O 3.41Å; N55-T58 CarbonylContact O-C 3.45Å; N55-T58 PolarHBondContact O-N 3.28Å; T58-T62 HydrophobicContact CG2-CG2 4.38Å
59	N	69.4	Low	70.2	Confident	56 Å²	56	94 Å²	94	30%	0.299	50%	0.499	S	S	.	.			trans	-94.2	177.7	173.9	66.3	-8.6	0	0	0	110.2	D61 T62 L63	N59-D61 PolarHBondContact ND2-OD2 3.13Å; N59-D61 PolarHBondContact O-N 3.34Å; N59-D61 WeakPolarHBondContact OD1-CB 3.34Å; N59-D61 PolarHBondContact OD1-N 2.65Å; N59-T62 PolarHBondContact O-N 3.07Å; N59-T62 VanDerWaalsContact O-N 3.13Å; N59-T62 PolarHBondContact OD1-N 2.84Å; N59-T62 PolarHBondContact OD1-OG1 3Å; N59-L63 PolarHBondContact O-N 2.82Å
60	S	73.4	Confident	70.8	Confident	71 Å²	71	92.7 Å²	92.7	50%	0.497	50%	0.497	S	S	.	.	H	α-helix	trans	-53.3	-36.6	175.2	50.2	0	0	0	0	112.9	T62 L63 L64	S60-T62 VanDerWaalsContact C-N 3.35Å; S60-T62 PolarHBondContact O-N 3.19Å; S60-L63 PolarHBondContact O-N 2.64Å; S60-L64 WeakPolarHBondContact O-CG 3.24Å; S60-L64 PolarHBondContact O-N 3.17Å; S60-L64 VanDerWaalsContact O-N 3.08Å
61	D	70.5	Confident	71.5	Confident	78 Å²	78	90 Å²	90	42%	0.417	50%	0.495	S	S	.	.	H	α-helix	trans	-63.2	-42.7	-179.9	-50.6	-25.9	0	0	0	111	N59 L63 L64 D65	N59-D61 PolarHBondContact ND2-OD2 3.13Å; N59-D61 PolarHBondContact O-N 3.34Å; N59-D61 WeakPolarHBondContact OD1-CB 3.34Å; N59-D61 PolarHBondContact OD1-N 2.65Å; D61-L63 VanDerWaalsContact C-N 3.32Å; D61-L63 PolarHBondContact O-N 3.32Å; D61-L64 PolarHBondContact O-N 2.74Å; D61-D65 WeakPolarHBondContact O-CB 3.33Å; D61-D65 VanDerWaalsContact O-CG 3.31Å; D61-D65 PolarHBondContact O-N 3.12Å
62	T	72	Confident	72.1	Confident	48 Å²	48	92.2 Å²	92.2	29%	0.294	49%	0.494	S	S	.	.	H	α-helix	trans	-64.5	-36.9	-179.6	-53.8	0	0	0	0	112.1	T58 N59 S60 C66	T58-T62 HydrophobicContact CG2-CG2 4.38Å; N59-T62 PolarHBondContact O-N 3.07Å; N59-T62 VanDerWaalsContact O-N 3.13Å; N59-T62 PolarHBondContact OD1-N 2.84Å; N59-T62 PolarHBondContact OD1-OG1 3Å; S60-T62 VanDerWaalsContact C-N 3.35Å; S60-T62 PolarHBondContact O-N 3.19Å; T62-C66 PolarHBondContact O-N 3.12Å; T62-C66 VanDerWaalsContact O-N 3.11Å; T62-C66 PolarHBondContact O-SG 2.93Å
63	L	73.6	Confident	73.1	Confident	72 Å²	72	96.2 Å²	96.2	38%	0.377	50%	0.503	S	S	.	.	H	α-helix	trans	-69.3	-42.1	175.5	-86.9	166.8	0	0	0	112.2	L52 N59 S60 D61 D65 C66 A67	L52-L63 HydrophobicContact CB-CD1 4.03Å; N59-L63 PolarHBondContact O-N 2.82Å; S60-L63 PolarHBondContact O-N 2.64Å; D61-L63 VanDerWaalsContact C-N 3.32Å; D61-L63 PolarHBondContact O-N 3.32Å; L63-D65 VanDerWaalsContact C-N 3.33Å; L63-C66 PolarHBondContact O-N 3.18Å; L63-A67 WeakPolarHBondContact O-CB 2.57Å; L63-A67 PolarHBondContact O-N 2.93Å
64	L	80.8	Confident	74.2	Confident	95 Å²	95	96.1 Å²	96.1	50%	0.497	51%	0.509	S	S	.	.	H	α-helix	trans	-61.5	-45.2	175.1	-70.7	172.5	0	0	0	110.1	S60 D61 C66 A67 F68	S60-L64 WeakPolarHBondContact O-CG 3.24Å; S60-L64 PolarHBondContact O-N 3.17Å; S60-L64 VanDerWaalsContact O-N 3.08Å; D61-L64 PolarHBondContact O-N 2.74Å; L64-C66 VanDerWaalsContact C-N 3.3Å; L64-C66 PolarHBondContact O-N 3.22Å; L64-A67 PolarHBondContact O-N 2.94Å; L64-A67 VanDerWaalsContact O-N 3.09Å; L64-F68 HydrophobicContact CD2-CE2 4.17Å; L64-F68 VanDerWaalsContact O-CD2 3.29Å; L64-F68 WeakPolarHBondContact O-CD2 3.42Å; L64-F68 PolarHBondContact O-N 3.23Å
65	D	78.6	Confident	75.5	Confident	91 Å²	91	89.6 Å²	89.6	49%	0.487	49%	0.491	S	S	.	.	H	α-helix	trans	-55.9	-44	175.8	-74.3	-14.4	0	0	0	111.9	D61 L63 E69	D61-D65 WeakPolarHBondContact O-CB 3.33Å; D61-D65 VanDerWaalsContact O-CG 3.31Å; D61-D65 PolarHBondContact O-N 3.12Å; L63-D65 VanDerWaalsContact C-N 3.33Å; D65-E69 PolarHBondContact O-N 3.44Å; D65-E69 VanDerWaalsContact O-N 3.1Å
66	C	80.3	Confident	76.7	Confident	79 Å²	79	87.6 Å²	87.6	53%	0.534	48%	0.48	S	S	.	.	H	α-helix	trans	-66.1	-40	175.6	-70.6	0	0	0	0	113	T62 L63 L64	T62-C66 PolarHBondContact O-N 3.12Å; T62-C66 VanDerWaalsContact O-N 3.11Å; T62-C66 PolarHBondContact O-SG 2.93Å; L63-C66 PolarHBondContact O-N 3.18Å; L64-C66 VanDerWaalsContact C-N 3.3Å; L64-C66 PolarHBondContact O-N 3.22Å
67	A	83.8	Confident	77.9	Confident	71 Å²	71	85.6 Å²	85.6	59%	0.587	46%	0.46	S	S	*	.	H	α-helix	trans	-68.8	-35.8	-179.7	0	0	0	0	0	112.3	L63 L64	L63-A67 WeakPolarHBondContact O-CB 2.57Å; L63-A67 PolarHBondContact O-N 2.93Å; L64-A67 PolarHBondContact O-N 2.94Å; L64-A67 VanDerWaalsContact O-N 3.09Å
68	F	87.1	Confident	79.3	Confident	99 Å²	99	84.7 Å²	84.7	43%	0.434	45%	0.451	S	S	.	.	H	α-helix	trans	-89.3	-2.9	180	-76.7	-79.5	0	0	0	114	L64 P70 V71 Y72	L64-F68 HydrophobicContact CD2-CE2 4.17Å; L64-F68 VanDerWaalsContact O-CD2 3.29Å; L64-F68 WeakPolarHBondContact O-CD2 3.42Å; L64-F68 PolarHBondContact O-N 3.23Å; F68-P70 VanDerWaalsContact C-CD 3.45Å; F68-P70 VanDerWaalsContact C-N 3.35Å; F68-V71 HydrophobicContact CD1-CB 4.33Å; F68-V71 HydrophobicContact CD1-CG2 4.14Å; F68-V71 WeakPolarHBondContact O-CA 3.27Å; F68-V71 WeakPolarHBondContact O-CB 3.41Å; F68-V71 PolarHBondContact O-N 2.82Å; F68-Y72 HydrophobicContact CB-CD2 4.1Å; F68-Y72 HydrophobicContact CB-CE1 4.45Å; F68-Y72 HydrophobicContact CB-CE2 3.53Å; F68-Y72 VanDerWaalsContact O-CD2 3.32Å; F68-Y72 WeakPolarHBondContact O-CD2 3.17Å; F68-Y72 PolarHBondContact O-N 3.46Å
69	E	82.8	Confident	80.3	Confident	117 Å²	117	83.4 Å²	83.4	55%	0.547	44%	0.443	S	S	.	.	H	α-helix	trans	-50.7	-43.4	178.9	-171.4	172.5	-162.4	0	0	114.2	D65 V71 Y72 W73	D65-E69 PolarHBondContact O-N 3.44Å; D65-E69 VanDerWaalsContact O-N 3.1Å; E69-V71 VanDerWaalsContact C-N 3.31Å; E69-V71 PolarHBondContact O-N 3.33Å; E69-Y72 PolarHBondContact O-N 3.34Å; E69-W73 PolarHBondContact O-N 3.15Å
70	P	85.9	Confident	80.8	Confident	83 Å²	83	87.6 Å²	87.6	54%	0.539	45%	0.454	S	S	.	.	H	α-helix	trans	-64.1	-35.9	175.6	-21.3	34.1	0	0	0	113	F68 W73 I74	F68-P70 VanDerWaalsContact C-CD 3.45Å; F68-P70 VanDerWaalsContact C-N 3.35Å; P70-W73 PolarHBondContact O-N 3.28Å; P70-I74 WeakPolarHBondContact O-CG1 3.4Å; P70-I74 PolarHBondContact O-N 3.3Å; P70-I74 VanDerWaalsContact O-N 3.12Å
71	V	85.8	Confident	81.2	Confident	74 Å²	74	92.9 Å²	92.9	45%	0.448	46%	0.463	S	S	.	.	H	α-helix	trans	-68.3	-46	178.1	-179.1	0	0	0	0	109.8	F68 E69 W73 I74 V75	F68-V71 HydrophobicContact CD1-CB 4.33Å; F68-V71 HydrophobicContact CD1-CG2 4.14Å; F68-V71 WeakPolarHBondContact O-CA 3.27Å; F68-V71 WeakPolarHBondContact O-CB 3.41Å; F68-V71 PolarHBondContact O-N 2.82Å; E69-V71 VanDerWaalsContact C-N 3.31Å; E69-V71 PolarHBondContact O-N 3.33Å; V71-W73 VanDerWaalsContact C-N 3.27Å; V71-W73 PolarHBondContact O-N 2.89Å; V71-I74 PolarHBondContact O-N 3.1Å; V71-V75 HydrophobicContact CG1-CG2 4.43Å; V71-V75 WeakPolarHBondContact O-CG2 3.35Å; V71-V75 PolarHBondContact O-N 3.04Å
72	Y	82.5	Confident	82	Confident	115 Å²	115	92.6 Å²	92.6	45%	0.451	46%	0.459	S	S	.	.	H	α-helix	trans	-58.4	-41.3	175.1	-62.8	-43.6	0	0	0	111.6	F68 E69 I74 V75 D76	F68-Y72 HydrophobicContact CB-CD2 4.1Å; F68-Y72 HydrophobicContact CB-CE1 4.45Å; F68-Y72 HydrophobicContact CB-CE2 3.53Å; F68-Y72 VanDerWaalsContact O-CD2 3.32Å; F68-Y72 WeakPolarHBondContact O-CD2 3.17Å; F68-Y72 PolarHBondContact O-N 3.46Å; E69-Y72 PolarHBondContact O-N 3.34Å; Y72-I74 PolarHBondContact O-N 3.35Å; Y72-V75 PolarHBondContact O-N 2.82Å; Y72-D76 VanDerWaalsContact O-CB 3.25Å; Y72-D76 WeakPolarHBondContact O-CB 3.5Å; Y72-D76 PolarHBondContact O-N 3.32Å
73	W	83.5	Confident	82.8	Confident	172 Å²	172	90.3 Å²	90.3	65%	0.652	45%	0.445	S	S	*	.	H	α-helix	trans	-61.1	-43.3	176.3	-178.2	87.4	0	0	0	112.9	E69 P70 V71 D76 N77	E69-W73 PolarHBondContact O-N 3.15Å; P70-W73 PolarHBondContact O-N 3.28Å; V71-W73 VanDerWaalsContact C-N 3.27Å; V71-W73 PolarHBondContact O-N 2.89Å; W73-D76 PolarHBondContact O-N 3.35Å; W73-N77 WeakPolarHBondContact O-CB 3.43Å; W73-N77 PolarHBondContact O-N 3.34Å
74	I	84.4	Confident	83.7	Confident	105 Å²	105	90.5 Å²	90.5	54%	0.538	45%	0.449	S	S	.	.	H	α-helix	trans	-62.8	-49	176.6	-67.6	170.3	0	0	0	110.2	P70 V71 Y72 D76 N77 F78	P70-I74 WeakPolarHBondContact O-CG1 3.4Å; P70-I74 PolarHBondContact O-N 3.3Å; P70-I74 VanDerWaalsContact O-N 3.12Å; V71-I74 PolarHBondContact O-N 3.1Å; Y72-I74 PolarHBondContact O-N 3.35Å; I74-D76 VanDerWaalsContact C-N 3.34Å; I74-D76 PolarHBondContact O-N 3.25Å; I74-N77 PolarHBondContact O-N 3.44Å; I74-F78 WeakPolarHBondContact O-CB 3.12Å; I74-F78 PolarHBondContact O-N 2.93Å
75	V	84.1	Confident	84.3	Confident	72 Å²	72	90 Å²	90	44%	0.436	45%	0.45	S	S	.	.	H	α-helix	trans	-61.5	-43.4	179.9	173.2	0	0	0	0	110.9	V71 Y72 F78 T79	V71-V75 HydrophobicContact CG1-CG2 4.43Å; V71-V75 WeakPolarHBondContact O-CG2 3.35Å; V71-V75 PolarHBondContact O-N 3.04Å; Y72-V75 PolarHBondContact O-N 2.82Å; V75-F78 PolarHBondContact O-N 3.24Å; V75-T79 VanDerWaalsContact O-CB 3.28Å; V75-T79 WeakPolarHBondContact O-CB 3.5Å; V75-T79 PolarHBondContact O-N 3.16Å; V75-T79 PolarHBondContact O-OG1 3.28Å
76	D	83.3	Confident	85.1	Confident	36 Å²	36	88.5 Å²	88.5	19%	0.193	44%	0.439	C	S	.	.	H	α-helix	trans	-63.8	-45.1	179	-74.7	-17.6	0	0	0	111.3	Y72 W73 I74 T79 R80 S175 I176	Y72-D76 VanDerWaalsContact O-CB 3.25Å; Y72-D76 WeakPolarHBondContact O-CB 3.5Å; Y72-D76 PolarHBondContact O-N 3.32Å; W73-D76 PolarHBondContact O-N 3.35Å; I74-D76 VanDerWaalsContact C-N 3.34Å; I74-D76 PolarHBondContact O-N 3.25Å; D76-T79 PolarHBondContact O-N 2.94Å; D76-R80 PolarHBondContact O-N 2.92Å; D76-S175 PolarHBondContact OD1-OG 2.99Å; D76-S175 WeakPolarHBondContact OD2-CB 3.08Å; D76-S175 PolarHBondContact OD2-OG 2.77Å; D76-I176 HydrophobicContact CB-CG1 4.17Å; D76-I176 WeakPolarHBondContact OD1-CG1 3.5Å
77	N	82	Confident	85.9	Confident	70 Å²	70	86.3 Å²	86.3	37%	0.374	42%	0.423	S	S	.	.	H	α-helix	trans	-65.9	-39.6	179.1	-173.3	64.9	0	0	0	112	W73 I74	W73-N77 WeakPolarHBondContact O-CB 3.43Å; W73-N77 PolarHBondContact O-N 3.34Å; I74-N77 PolarHBondContact O-N 3.44Å
78	F	83.1	Confident	86.5	Confident	119 Å²	119	86 Å²	86	52%	0.522	42%	0.416	S	S	.	.	H	α-helix	trans	-63.8	-51.8	173.4	-168.7	-100.9	0	0	0	110.3	I74 V75 R80 W81 F82	I74-F78 WeakPolarHBondContact O-CB 3.12Å; I74-F78 PolarHBondContact O-N 2.93Å; V75-F78 PolarHBondContact O-N 3.24Å; F78-R80 PolarHBondContact O-N 3.08Å; F78-R80 VanDerWaalsContact O-N 3.11Å; F78-W81 PolarHBondContact O-N 3.34Å; F78-F82 AromaticContact CD1-CD2 3.48Å; F78-F82 HydrophobicContact CD1-CD2 3.48Å; F78-F82 VanDerWaalsContact CD1-CD2 3.48Å; F78-F82 AromaticContact CD1-CE2 3.5Å; F78-F82 HydrophobicContact CD1-CE2 3.5Å; F78-F82 HydrophobicContact CD1-CG 4.29Å; F78-F82 HydrophobicContact CD1-CZ 4.26Å; F78-F82 HydrophobicContact CD2-CD2 4.15Å; F78-F82 AromaticContact CD2-CE2 3.6Å; F78-F82 HydrophobicContact CD2-CE2 3.6Å; F78-F82 HydrophobicContact CE1-CD1 4.39Å; F78-F82 AromaticContact CE1-CD2 3.44Å; F78-F82 HydrophobicContact CE1-CD2 3.44Å; F78-F82 VanDerWaalsContact CE1-CD2 3.44Å; F78-F82 HydrophobicContact CE1-CE1 4.04Å; F78-F82 AromaticContact CE1-CE2 3.07Å; F78-F82 HydrophobicContact CE1-CE2 3.07Å; F78-F82 HydrophobicContact CE1-CG 4.12Å; F78-F82 AromaticContact CE1-CZ 3.38Å; F78-F82 HydrophobicContact CE1-CZ 3.38Å; F78-F82 HydrophobicContact CE2-CD2 4.13Å; F78-F82 AromaticContact CE2-CE2 3.19Å; F78-F82 HydrophobicContact CE2-CE2 3.19Å; F78-F82 AromaticContact CE2-CZ 3.7Å; F78-F82 HydrophobicContact CE2-CZ 3.7Å; F78-F82 AromaticContact CG-CD2 3.88Å; F78-F82 HydrophobicContact CG-CD2 3.88Å; F78-F82 AromaticContact CG-CE2 3.77Å; F78-F82 HydrophobicContact CG-CE2 3.77Å; F78-F82 AromaticContact CZ-CD2 3.81Å; F78-F82 HydrophobicContact CZ-CD2 3.81Å; F78-F82 HydrophobicContact CZ-CE1 4.08Å; F78-F82 AromaticContact CZ-CE2 2.92Å; F78-F82 HydrophobicContact CZ-CE2 2.92Å; F78-F82 AromaticContact CZ-CZ 3.07Å; F78-F82 HydrophobicContact CZ-CZ 3.07Å; F78-F82 VanDerWaalsContact O-CD2 3.26Å; F78-F82 WeakPolarHBondContact O-CD2 3.48Å; F78-F82 PolarHBondContact O-N 3.08Å; F78-F82 VanDerWaalsContact O-N 3.09Å
79	T	80.1	Confident	86.9	Confident	28 Å²	28	84.6 Å²	84.6	17%	0.172	41%	0.412	C	S	.	.	H	α-helix	trans	-55.1	-36.8	-179.1	-56.9	0	0	0	0	112.3	V75 D76 W81 F82 G83 I176 P189	V75-T79 VanDerWaalsContact O-CB 3.28Å; V75-T79 WeakPolarHBondContact O-CB 3.5Å; V75-T79 PolarHBondContact O-N 3.16Å; V75-T79 PolarHBondContact O-OG1 3.28Å; D76-T79 PolarHBondContact O-N 2.94Å; T79-W81 PolarHBondContact O-N 2.84Å; T79-F82 PolarHBondContact O-N 3.4Å; T79-G83 PolarHBondContact O-N 2.92Å; T79-I176 HydrophobicContact CG2-CD1 3.84Å; T79-P189 HydrophobicContact CG2-CG 3.92Å
80	R	79	Confident	87.6	Confident	144 Å²	144	79.8 Å²	79.8	54%	0.543	39%	0.391	S	S	.	.	H	α-helix	trans	-62.7	-39.3	176.8	-162.8	176.6	77.6	151.9	5	113.4	D76 F78 I176	D76-R80 PolarHBondContact O-N 2.92Å; F78-R80 PolarHBondContact O-N 3.08Å; F78-R80 VanDerWaalsContact O-N 3.11Å; R80-I176 HydrophobicContact CB-CG2 4.31Å
81	W	82.7	Confident	88.2	Confident	182 Å²	182	79.2 Å²	79.2	69%	0.689	39%	0.386	S	S	*	.	H	α-helix	trans	-71.7	-38.8	175.8	-91.3	94.1	0	0	0	112.1	F78 T79 G83 V84	F78-W81 PolarHBondContact O-N 3.34Å; T79-W81 PolarHBondContact O-N 2.84Å; W81-G83 VanDerWaalsContact C-N 3.25Å; W81-G83 PolarHBondContact O-N 2.96Å; W81-V84 PolarHBondContact O-N 3Å
82	F	86.7	Confident	88.8	Confident	72 Å²	72	81.4 Å²	81.4	32%	0.316	40%	0.395	S	S	.	.	H	α-helix	trans	-68.1	-25.2	179.1	-83.5	-99.1	0	0	0	113	F78 T79 V84 V85 F86	F78-F82 AromaticContact CD1-CD2 3.48Å; F78-F82 HydrophobicContact CD1-CD2 3.48Å; F78-F82 VanDerWaalsContact CD1-CD2 3.48Å; F78-F82 AromaticContact CD1-CE2 3.5Å; F78-F82 HydrophobicContact CD1-CE2 3.5Å; F78-F82 HydrophobicContact CD1-CG 4.29Å; F78-F82 HydrophobicContact CD1-CZ 4.26Å; F78-F82 HydrophobicContact CD2-CD2 4.15Å; F78-F82 AromaticContact CD2-CE2 3.6Å; F78-F82 HydrophobicContact CD2-CE2 3.6Å; F78-F82 HydrophobicContact CE1-CD1 4.39Å; F78-F82 AromaticContact CE1-CD2 3.44Å; F78-F82 HydrophobicContact CE1-CD2 3.44Å; F78-F82 VanDerWaalsContact CE1-CD2 3.44Å; F78-F82 HydrophobicContact CE1-CE1 4.04Å; F78-F82 AromaticContact CE1-CE2 3.07Å; F78-F82 HydrophobicContact CE1-CE2 3.07Å; F78-F82 HydrophobicContact CE1-CG 4.12Å; F78-F82 AromaticContact CE1-CZ 3.38Å; F78-F82 HydrophobicContact CE1-CZ 3.38Å; F78-F82 HydrophobicContact CE2-CD2 4.13Å; F78-F82 AromaticContact CE2-CE2 3.19Å; F78-F82 HydrophobicContact CE2-CE2 3.19Å; F78-F82 AromaticContact CE2-CZ 3.7Å; F78-F82 HydrophobicContact CE2-CZ 3.7Å; F78-F82 AromaticContact CG-CD2 3.88Å; F78-F82 HydrophobicContact CG-CD2 3.88Å; F78-F82 AromaticContact CG-CE2 3.77Å; F78-F82 HydrophobicContact CG-CE2 3.77Å; F78-F82 AromaticContact CZ-CD2 3.81Å; F78-F82 HydrophobicContact CZ-CD2 3.81Å; F78-F82 HydrophobicContact CZ-CE1 4.08Å; F78-F82 AromaticContact CZ-CE2 2.92Å; F78-F82 HydrophobicContact CZ-CE2 2.92Å; F78-F82 AromaticContact CZ-CZ 3.07Å; F78-F82 HydrophobicContact CZ-CZ 3.07Å; F78-F82 VanDerWaalsContact O-CD2 3.26Å; F78-F82 WeakPolarHBondContact O-CD2 3.48Å; F78-F82 PolarHBondContact O-N 3.08Å; F78-F82 VanDerWaalsContact O-N 3.09Å; T79-F82 PolarHBondContact O-N 3.4Å; F82-V84 VanDerWaalsContact C-N 3.28Å; F82-V84 PolarHBondContact O-N 3.2Å; F82-V85 WeakPolarHBondContact O-CB 3.39Å; F82-V85 PolarHBondContact O-N 2.95Å; F82-F86 HydrophobicContact CB-CD2 4.03Å; F82-F86 HydrophobicContact CB-CE2 3.78Å; F82-F86 HydrophobicContact CD1-CE2 4.26Å; F82-F86 HydrophobicContact CG-CE2 4.48Å; F82-F86 WeakPolarHBondContact O-CD2 3.4Å; F82-F86 PolarHBondContact O-N 2.82Å
83	G	89.3	Confident	89.5	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-53.2	-44.2	176.3	0	0	0	0	0	112.9	T79 W81 V85 F86 V87 P189	T79-G83 PolarHBondContact O-N 2.92Å; W81-G83 VanDerWaalsContact C-N 3.25Å; W81-G83 PolarHBondContact O-N 2.96Å; G83-V85 PolarHBondContact O-N 2.9Å; G83-F86 PolarHBondContact O-N 2.85Å; G83-V87 WeakPolarHBondContact O-CG2 3.28Å; G83-V87 PolarHBondContact O-N 2.84Å; G83-P189 WeakPolarHBondContact CA-O 3.32Å
84	V	91.9	Very high	90.2	Very high	77 Å²	77	71.7 Å²	71.7	47%	0.467	36%	0.364	S	S	.	.	H	α-helix	trans	-64.1	-43.2	177.1	-178.7	0	0	0	0	111.1	W81 F82 F86 V87 C88	W81-V84 PolarHBondContact O-N 3Å; F82-V84 VanDerWaalsContact C-N 3.28Å; F82-V84 PolarHBondContact O-N 3.2Å; V84-F86 PolarHBondContact O-N 3.19Å; V84-V87 PolarHBondContact O-N 3.24Å; V84-C88 PolarHBondContact O-N 2.84Å; V84-C88 PolarHBondContact O-SG 3.39Å
85	V	94.1	Very high	90.8	Very high	85 Å²	85	69.3 Å²	69.3	52%	0.515	36%	0.356	S	S	.	.	H	α-helix	trans	-61.2	-44.6	178.1	179.6	0	0	0	0	110.9	F82 G83 C88 L89	F82-V85 WeakPolarHBondContact O-CB 3.39Å; F82-V85 PolarHBondContact O-N 2.95Å; G83-V85 PolarHBondContact O-N 2.9Å; V85-C88 PolarHBondContact O-N 3.44Å; V85-L89 WeakPolarHBondContact O-CB 3.14Å; V85-L89 PolarHBondContact O-N 3.48Å
86	F	95.3	Very high	91.5	Very high	59 Å²	59	67.4 Å²	67.4	26%	0.259	35%	0.346	S	S	.	.	H	α-helix	trans	-66.5	-38.5	178.4	-73.6	-60.6	0	0	0	112.7	F82 G83 V84 L89 V90 P189 W190	F82-F86 HydrophobicContact CB-CD2 4.03Å; F82-F86 HydrophobicContact CB-CE2 3.78Å; F82-F86 HydrophobicContact CD1-CE2 4.26Å; F82-F86 HydrophobicContact CG-CE2 4.48Å; F82-F86 WeakPolarHBondContact O-CD2 3.4Å; F82-F86 PolarHBondContact O-N 2.82Å; G83-F86 PolarHBondContact O-N 2.85Å; V84-F86 PolarHBondContact O-N 3.19Å; F86-L89 HydrophobicContact CD1-CD2 4.45Å; F86-L89 WeakPolarHBondContact O-CB 3.46Å; F86-L89 PolarHBondContact O-N 3.42Å; F86-V90 WeakPolarHBondContact O-CG2 3.25Å; F86-V90 PolarHBondContact O-N 3.42Å; F86-P189 HydrophobicContact CD2-CB 3.67Å; F86-P189 HydrophobicContact CE2-CB 4.08Å; F86-W190 HydrophobicContact CB-CD2 4.3Å; F86-W190 HydrophobicContact CB-CE3 3.91Å; F86-W190 HydrophobicContact CB-CZ3 4.4Å; F86-W190 HydrophobicContact CD1-CD2 4.14Å; F86-W190 AromaticContact CD1-CE3 3.79Å; F86-W190 HydrophobicContact CD1-CE3 3.79Å; F86-W190 AromaticContact CD1-CH2 3.66Å; F86-W190 HydrophobicContact CD1-CH2 3.66Å; F86-W190 AromaticContact CD1-CZ2 3.99Å; F86-W190 HydrophobicContact CD1-CZ2 3.99Å; F86-W190 AromaticContact CD1-CZ3 3.55Å; F86-W190 HydrophobicContact CD1-CZ3 3.55Å; F86-W190 AromaticContact CE1-CH2 3.9Å; F86-W190 HydrophobicContact CE1-CH2 3.9Å; F86-W190 HydrophobicContact CE1-CZ2 4.02Å; F86-W190 HydrophobicContact CE1-CZ3 4.27Å; F86-W190 HydrophobicContact CG-CD2 4.37Å; F86-W190 HydrophobicContact CG-CE3 4.17Å; F86-W190 HydrophobicContact CG-CZ3 4.37Å
87	V	96.3	Very high	92.2	Very high	32 Å²	32	66.8 Å²	66.8	19%	0.194	34%	0.343	C	S	.	.	H	α-helix	trans	-63.3	-47.6	174.4	170.3	0	0	0	0	110.9	G83 V84 L89 V90 V91 Y136 N192	G83-V87 WeakPolarHBondContact O-CG2 3.28Å; G83-V87 PolarHBondContact O-N 2.84Å; V84-V87 PolarHBondContact O-N 3.24Å; V87-L89 VanDerWaalsContact C-N 3.28Å; V87-L89 PolarHBondContact O-N 3.33Å; V87-V90 PolarHBondContact O-N 3.31Å; V87-V91 WeakPolarHBondContact O-CG2 3.43Å; V87-V91 PolarHBondContact O-N 2.72Å; V87-V91 VanDerWaalsContact O-N 3.08Å; V87-Y136 WeakPolarHBondContact CA-OH 3.47Å; V87-N192 HydrophobicContact CG2-CB 3.7Å
88	C	96.5	Very high	92.9	Very high	66 Å²	66	65.3 Å²	65.3	45%	0.446	34%	0.337	S	S	.	.	H	α-helix	trans	-57.9	-42.6	174.6	-69.5	0	0	0	0	111.6	V84 V85 V91 L92	V84-C88 PolarHBondContact O-N 2.84Å; V84-C88 PolarHBondContact O-SG 3.39Å; V85-C88 PolarHBondContact O-N 3.44Å; C88-V91 PolarHBondContact O-N 3.07Å; C88-L92 WeakPolarHBondContact O-CB 3.17Å; C88-L92 VanDerWaalsContact O-CG 3.25Å; C88-L92 WeakPolarHBondContact O-CG 3.48Å; C88-L92 PolarHBondContact O-N 3.16Å
89	L	96.6	Very high	93.7	Very high	68 Å²	68	64.2 Å²	64.2	36%	0.356	34%	0.336	S	S	.	.	H	α-helix	trans	-60.9	-46	178	-179.3	62.4	0	0	0	112	V85 F86 V87 V91 L92 L93 W190	V85-L89 WeakPolarHBondContact O-CB 3.14Å; V85-L89 PolarHBondContact O-N 3.48Å; F86-L89 HydrophobicContact CD1-CD2 4.45Å; F86-L89 WeakPolarHBondContact O-CB 3.46Å; F86-L89 PolarHBondContact O-N 3.42Å; V87-L89 VanDerWaalsContact C-N 3.28Å; V87-L89 PolarHBondContact O-N 3.33Å; L89-V91 VanDerWaalsContact C-N 3.34Å; L89-V91 PolarHBondContact O-N 2.85Å; L89-L92 PolarHBondContact O-N 3.23Å; L89-L93 HydrophobicContact CD1-CD1 3.8Å; L89-L93 HydrophobicContact CD1-CD2 4.47Å; L89-L93 HydrophobicContact CD1-CG 3.91Å; L89-L93 HydrophobicContact CG-CD1 3.84Å; L89-L93 HydrophobicContact CG-CG 4.32Å; L89-L93 WeakPolarHBondContact O-CB 3.48Å; L89-L93 VanDerWaalsContact O-CG 3.27Å; L89-L93 WeakPolarHBondContact O-CG 3.48Å; L89-L93 PolarHBondContact O-N 3.22Å; L89-W190 HydrophobicContact CD2-CH2 4.38Å; L89-W190 HydrophobicContact CD2-CZ3 4.05Å
90	V	97.3	Very high	94.5	Very high	17 Å²	17	63.5 Å²	63.5	10%	0.103	33%	0.331	C	S	.	.	H	α-helix	trans	-61.2	-43.9	177.4	172.6	0	0	0	0	111.1	F86 V87 T94 Y136 W190 F206	F86-V90 WeakPolarHBondContact O-CG2 3.25Å; F86-V90 PolarHBondContact O-N 3.42Å; V87-V90 PolarHBondContact O-N 3.31Å; V90-T94 VanDerWaalsContact O-CB 3.3Å; V90-T94 WeakPolarHBondContact O-CB 3.32Å; V90-T94 PolarHBondContact O-N 3.12Å; V90-T94 PolarHBondContact O-OG1 3.2Å; V90-Y136 HydrophobicContact CB-CE1 4.42Å; V90-Y136 HydrophobicContact CB-CE2 4.33Å; V90-Y136 HydrophobicContact CG1-CD1 4.48Å; V90-Y136 HydrophobicContact CG1-CD2 4.28Å; V90-Y136 HydrophobicContact CG1-CE1 3.93Å; V90-Y136 HydrophobicContact CG1-CE2 3.71Å; V90-W190 HydrophobicContact CG2-CE3 3.59Å; V90-W190 HydrophobicContact CG2-CZ3 4.12Å; V90-F206 HydrophobicContact CG1-CZ 4.34Å
91	V	97.8	Very high	95.3	Very high	71 Å²	71	58.4 Å²	58.4	43%	0.43	32%	0.315	S	S	.	.	H	α-helix	trans	-62.6	-46.2	177.7	174.1	0	0	0	0	110.9	V87 C88 L89 T94 S95 Y136	V87-V91 WeakPolarHBondContact O-CG2 3.43Å; V87-V91 PolarHBondContact O-N 2.72Å; V87-V91 VanDerWaalsContact O-N 3.08Å; C88-V91 PolarHBondContact O-N 3.07Å; L89-V91 VanDerWaalsContact C-N 3.34Å; L89-V91 PolarHBondContact O-N 2.85Å; V91-T94 PolarHBondContact O-N 3.21Å; V91-S95 VanDerWaalsContact O-CB 3.25Å; V91-S95 WeakPolarHBondContact O-CB 3.34Å; V91-S95 PolarHBondContact O-N 3.07Å; V91-S95 PolarHBondContact O-OG 3.02Å; V91-Y136 HydrophobicContact CG2-CE1 4.02Å
92	L	98.1	Very high	96	Very high	120 Å²	120	54.2 Å²	54.2	63%	0.628	30%	0.3	S	S	*	.	H	α-helix	trans	-64.2	-46.2	179.7	-73.2	171.4	0	0	0	112.2	C88 L89 S95 S96	C88-L92 WeakPolarHBondContact O-CB 3.17Å; C88-L92 VanDerWaalsContact O-CG 3.25Å; C88-L92 WeakPolarHBondContact O-CG 3.48Å; C88-L92 PolarHBondContact O-N 3.16Å; L89-L92 PolarHBondContact O-N 3.23Å; L92-S95 PolarHBondContact O-N 3.04Å; L92-S96 WeakPolarHBondContact O-CB 3.19Å; L92-S96 PolarHBondContact O-N 3.36Å; L92-S96 PolarHBondContact O-OG 3.02Å
93	L	97.6	Very high	96.4	Very high	59 Å²	59	55.3 Å²	55.3	31%	0.309	31%	0.309	S	S	.	.	H	α-helix	trans	-66.3	-39.9	178.9	-69.1	175.5	0	0	0	112	L89 S96 V97 F256 L260	L89-L93 HydrophobicContact CD1-CD1 3.8Å; L89-L93 HydrophobicContact CD1-CD2 4.47Å; L89-L93 HydrophobicContact CD1-CG 3.91Å; L89-L93 HydrophobicContact CG-CD1 3.84Å; L89-L93 HydrophobicContact CG-CG 4.32Å; L89-L93 WeakPolarHBondContact O-CB 3.48Å; L89-L93 VanDerWaalsContact O-CG 3.27Å; L89-L93 WeakPolarHBondContact O-CG 3.48Å; L89-L93 PolarHBondContact O-N 3.22Å; L93-S96 PolarHBondContact O-OG 3.39Å; L93-V97 WeakPolarHBondContact O-CG2 3.21Å; L93-V97 PolarHBondContact O-N 3.42Å; L93-V97 VanDerWaalsContact O-N 3.15Å; L93-F256 HydrophobicContact CD2-CZ 4.49Å; L93-L260 HydrophobicContact CB-CD2 4.45Å; L93-L260 HydrophobicContact CD2-CD1 4.35Å; L93-L260 HydrophobicContact CD2-CD2 4.09Å
94	T	97.6	Very high	96.7	Very high	24 Å²	24	56.9 Å²	56.9	15%	0.147	32%	0.316	C	S	.	.	H	α-helix	trans	-67	-42.4	176.4	-53.1	0	0	0	0	110.5	V90 V91 V97 V98	V90-T94 VanDerWaalsContact O-CB 3.3Å; V90-T94 WeakPolarHBondContact O-CB 3.32Å; V90-T94 PolarHBondContact O-N 3.12Å; V90-T94 PolarHBondContact O-OG1 3.2Å; V91-T94 PolarHBondContact O-N 3.21Å; T94-V97 PolarHBondContact O-N 3.22Å; T94-V98 WeakPolarHBondContact O-CG2 3.22Å; T94-V98 PolarHBondContact O-N 2.88Å
95	S	98	Very high	96.8	Very high	54 Å²	54	53.6 Å²	53.6	38%	0.378	30%	0.296	S	S	.	.	H	α-helix	trans	-65	-40.4	178.1	-57.1	0	0	0	0	111.9	V91 L92 V98 I99	V91-S95 VanDerWaalsContact O-CB 3.25Å; V91-S95 WeakPolarHBondContact O-CB 3.34Å; V91-S95 PolarHBondContact O-N 3.07Å; V91-S95 PolarHBondContact O-OG 3.02Å; L92-S95 PolarHBondContact O-N 3.04Å; S95-V98 PolarHBondContact O-N 3.17Å; S95-I99 WeakPolarHBondContact O-CB 3.43Å; S95-I99 WeakPolarHBondContact O-CD1 3.26Å; S95-I99 VanDerWaalsContact O-CG1 3.22Å; S95-I99 WeakPolarHBondContact O-CG1 3.38Å; S95-I99 PolarHBondContact O-N 3.33Å
96	S	98	Very high	96.8	Very high	33 Å²	33	50.7 Å²	50.7	23%	0.231	28%	0.277	C	S	.	.	H	α-helix	trans	-64.5	-41.4	177.6	70.2	0	0	0	0	111.9	L92 L93 I99 I100	L92-S96 WeakPolarHBondContact O-CB 3.19Å; L92-S96 PolarHBondContact O-N 3.36Å; L92-S96 PolarHBondContact O-OG 3.02Å; L93-S96 PolarHBondContact O-OG 3.39Å; S96-I99 PolarHBondContact O-N 3.46Å; S96-I100 WeakPolarHBondContact O-CD1 3.33Å; S96-I100 WeakPolarHBondContact O-CG1 3.36Å; S96-I100 PolarHBondContact O-N 3.27Å
97	V	98.2	Very high	96.8	Very high	22 Å²	22	50.6 Å²	50.6	13%	0.133	28%	0.283	C	S	.	.	H	α-helix	trans	-58.2	-49.2	172.8	165	0	0	0	0	111	L93 T94 I100 V101 L257 L260 T261	L93-V97 WeakPolarHBondContact O-CG2 3.21Å; L93-V97 PolarHBondContact O-N 3.42Å; L93-V97 VanDerWaalsContact O-N 3.15Å; T94-V97 PolarHBondContact O-N 3.22Å; V97-I100 PolarHBondContact O-N 3.1Å; V97-V101 VanDerWaalsContact O-CG2 3.32Å; V97-V101 WeakPolarHBondContact O-CG2 3.45Å; V97-V101 PolarHBondContact O-N 3.2Å; V97-L257 HydrophobicContact CB-CD1 4.15Å; V97-L257 HydrophobicContact CG1-CD1 3.63Å; V97-L257 HydrophobicContact CG2-CD1 4.05Å; V97-L260 HydrophobicContact CG2-CD2 3.67Å; V97-L260 HydrophobicContact CG2-CG 4.48Å; V97-T261 HydrophobicContact CG1-CG2 4.25Å; V97-T261 HydrophobicContact CG2-CG2 4.19Å
98	V	97.9	Very high	96.6	Very high	40 Å²	40	51.3 Å²	51.3	24%	0.242	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-50.2	178.3	171.7	0	0	0	0	110.4	T94 S95 I100 V101 Y102 L129	T94-V98 WeakPolarHBondContact O-CG2 3.22Å; T94-V98 PolarHBondContact O-N 2.88Å; S95-V98 PolarHBondContact O-N 3.17Å; V98-I100 VanDerWaalsContact C-N 3.33Å; V98-I100 PolarHBondContact O-N 2.81Å; V98-V101 PolarHBondContact O-N 2.88Å; V98-V101 VanDerWaalsContact O-N 3.11Å; V98-Y102 HydrophobicContact CG1-CD2 3.75Å; V98-Y102 HydrophobicContact CG1-CE2 3.73Å; V98-Y102 VanDerWaalsContact O-CD2 3.3Å; V98-Y102 WeakPolarHBondContact O-CD2 3.01Å; V98-Y102 PolarHBondContact O-N 2.68Å; V98-L129 HydrophobicContact CG1-CD2 4.48Å; V98-L129 HydrophobicContact CG2-CD1 3.67Å; V98-L129 HydrophobicContact CG2-CD2 4.32Å
99	I	98	Very high	96.4	Very high	96 Å²	96	48.8 Å²	48.8	49%	0.492	27%	0.269	S	S	.	.	H	α-helix	trans	-56	-47.1	179.1	-71	164.6	0	0	0	111.1	S95 S96 V101 Y102 L103	S95-I99 WeakPolarHBondContact O-CB 3.43Å; S95-I99 WeakPolarHBondContact O-CD1 3.26Å; S95-I99 VanDerWaalsContact O-CG1 3.22Å; S95-I99 WeakPolarHBondContact O-CG1 3.38Å; S95-I99 PolarHBondContact O-N 3.33Å; S96-I99 PolarHBondContact O-N 3.46Å; I99-V101 VanDerWaalsContact C-N 3.33Å; I99-V101 PolarHBondContact O-N 3.26Å; I99-Y102 PolarHBondContact O-N 2.91Å; I99-L103 HydrophobicContact CG2-CD1 3.58Å; I99-L103 HydrophobicContact CG2-CG 4.18Å; I99-L103 WeakPolarHBondContact O-CB 3.41Å; I99-L103 VanDerWaalsContact O-CG 3.3Å; I99-L103 WeakPolarHBondContact O-CG 3.36Å; I99-L103 PolarHBondContact O-N 2.97Å
100	I	97.5	Very high	96.4	Very high	12 Å²	12	50.8 Å²	50.8	6%	0.062	28%	0.275	C	S	.	.	H	α-helix	trans	-62.9	-41.5	179.2	-65.9	163.6	0	0	0	111	S96 V97 V98 Y102 L103 F104 V105 C253 F256 L257	S96-I100 WeakPolarHBondContact O-CD1 3.33Å; S96-I100 WeakPolarHBondContact O-CG1 3.36Å; S96-I100 PolarHBondContact O-N 3.27Å; V97-I100 PolarHBondContact O-N 3.1Å; V98-I100 VanDerWaalsContact C-N 3.33Å; V98-I100 PolarHBondContact O-N 2.81Å; I100-Y102 PolarHBondContact O-N 3.41Å; I100-L103 PolarHBondContact O-N 2.83Å; I100-F104 HydrophobicContact CG2-CD2 4.22Å; I100-F104 PolarHBondContact O-N 3.37Å; I100-V105 PolarHBondContact O-N 2.93Å; I100-C253 HydrophobicContact CD1-CB 4.26Å; I100-C253 HydrophobicContact CG1-CB 4.07Å; I100-C253 HydrophobicContact CG2-CB 3.98Å; I100-F256 HydrophobicContact CD1-CD1 3.63Å; I100-F256 HydrophobicContact CD1-CE1 4.14Å; I100-L257 HydrophobicContact CD1-CB 4.49Å; I100-L257 HydrophobicContact CG2-CB 3.98Å; I100-L257 HydrophobicContact CG2-CD2 4.02Å; I100-L257 HydrophobicContact CG2-CG 4.48Å
101	V	96.8	Very high	96.2	Very high	37 Å²	37	54.5 Å²	54.5	22%	0.224	30%	0.302	C	S	.	.	I	π-helix	trans	-60.2	-47.3	177.5	168.3	0	0	0	0	110.9	V97 V98 I99 V105 L106 L257	V97-V101 VanDerWaalsContact O-CG2 3.32Å; V97-V101 WeakPolarHBondContact O-CG2 3.45Å; V97-V101 PolarHBondContact O-N 3.2Å; V98-V101 PolarHBondContact O-N 2.88Å; V98-V101 VanDerWaalsContact O-N 3.11Å; I99-V101 VanDerWaalsContact C-N 3.33Å; I99-V101 PolarHBondContact O-N 3.26Å; V101-V105 HydrophobicContact CG1-CB 4.48Å; V101-V105 HydrophobicContact CG2-CG2 4.48Å; V101-V105 PolarHBondContact O-N 2.66Å; V101-L106 WeakPolarHBondContact O-CB 3.41Å; V101-L106 PolarHBondContact O-N 3.39Å; V101-L257 HydrophobicContact CG2-CD1 4.25Å; V101-L257 HydrophobicContact CG2-CD2 4.14Å
102	Y	96.6	Very high	96	Very high	94 Å²	94	55.1 Å²	55.1	37%	0.369	31%	0.309	S	S	.	.	I	π-helix	trans	-72.5	-33.5	-179.4	-80.5	-91.7	0	0	0	113.6	V98 I99 I100 L106 P107 H126	V98-Y102 HydrophobicContact CG1-CD2 3.75Å; V98-Y102 HydrophobicContact CG1-CE2 3.73Å; V98-Y102 VanDerWaalsContact O-CD2 3.3Å; V98-Y102 WeakPolarHBondContact O-CD2 3.01Å; V98-Y102 PolarHBondContact O-N 2.68Å; I99-Y102 PolarHBondContact O-N 2.91Å; I100-Y102 PolarHBondContact O-N 3.41Å; Y102-L106 HydrophobicContact CD1-CD2 3.83Å; Y102-L106 HydrophobicContact CE1-CD2 4.09Å; Y102-P107 WeakPolarHBondContact O-CD 3.29Å; Y102-H126 AromaticContact CZ-NE2 3.8Å; Y102-H126 PolarHBondContact OH-CD2 3.34Å; Y102-H126 PolarHBondContact OH-CE1 3.27Å; Y102-H126 VanDerWaalsContact OH-CE1 3.29Å; Y102-H126 PolarHBondContact OH-NE2 2.97Å
103	L	96.1	Very high	95.8	Very high	95 Å²	95	53.4 Å²	53.4	50%	0.497	30%	0.295	S	S	.	.	I	π-helix	trans	-83	-31.8	-176.7	-68.4	-177.1	0	0	0	114	I99 I100	I99-L103 HydrophobicContact CG2-CD1 3.58Å; I99-L103 HydrophobicContact CG2-CG 4.18Å; I99-L103 WeakPolarHBondContact O-CB 3.41Å; I99-L103 VanDerWaalsContact O-CG 3.3Å; I99-L103 WeakPolarHBondContact O-CG 3.36Å; I99-L103 PolarHBondContact O-N 2.97Å; I100-L103 PolarHBondContact O-N 2.83Å
104	F	95.1	Very high	95.7	Very high	34 Å²	34	53.7 Å²	53.7	15%	0.149	30%	0.3	C	S	.	.	I	π-helix	trans	-124.7	-44.6	-171.3	-60.6	-74.6	0	0	0	113.7	I100 T108 V249 C253 I254	I100-F104 HydrophobicContact CG2-CD2 4.22Å; I100-F104 PolarHBondContact O-N 3.37Å; F104-T108 PolarHBondContact O-OG1 3.44Å; F104-V249 HydrophobicContact CZ-CG1 4.03Å; F104-C253 HydrophobicContact CD2-CB 4.03Å; F104-C253 HydrophobicContact CE2-CB 3.97Å; F104-I254 HydrophobicContact CB-CG1 4.49Å
105	V	94.2	Very high	95.7	Very high	7 Å²	7	56.4 Å²	56.4	4%	0.042	33%	0.325	C	S	.	.	I	π-helix	trans	-76.2	-49.4	-174.8	-178.3	0	0	0	0	111.3	I100 V101 T108 I109 L224 L257	I100-V105 PolarHBondContact O-N 2.93Å; V101-V105 HydrophobicContact CG1-CB 4.48Å; V101-V105 HydrophobicContact CG2-CG2 4.48Å; V101-V105 PolarHBondContact O-N 2.66Å; V105-T108 WeakPolarHBondContact O-CB 3.41Å; V105-T108 PolarHBondContact O-N 3.29Å; V105-I109 HydrophobicContact CG1-CD1 3.8Å; V105-I109 HydrophobicContact CG1-CG1 4.35Å; V105-I109 WeakPolarHBondContact O-CG1 3.43Å; V105-I109 PolarHBondContact O-N 2.72Å; V105-L224 HydrophobicContact CG1-CD1 4.04Å; V105-L224 HydrophobicContact CG2-CD1 4.42Å; V105-L257 HydrophobicContact CG2-CD2 3.66Å
106	L	94.1	Very high	95.5	Very high	24 Å²	24	59.6 Å²	59.6	13%	0.126	33%	0.334	C	S	.	.	H	α-helix	trans	-64.7	-42.7	-175.1	-175.4	64.3	0	0	0	113.1	V101 Y102 T108 I109 F110 L122	V101-L106 WeakPolarHBondContact O-CB 3.41Å; V101-L106 PolarHBondContact O-N 3.39Å; Y102-L106 HydrophobicContact CD1-CD2 3.83Å; Y102-L106 HydrophobicContact CE1-CD2 4.09Å; L106-T108 VanDerWaalsContact C-N 3.26Å; L106-T108 PolarHBondContact O-N 3.15Å; L106-I109 PolarHBondContact O-N 2.95Å; L106-I109 VanDerWaalsContact O-N 3.16Å; L106-F110 HydrophobicContact CD1-CD2 4.12Å; L106-F110 HydrophobicContact CD1-CE2 3.73Å; L106-F110 HydrophobicContact CD1-CZ 4.3Å; L106-F110 HydrophobicContact CD2-CE2 3.88Å; L106-F110 HydrophobicContact CG-CD2 3.84Å; L106-F110 HydrophobicContact CG-CE2 3.5Å; L106-F110 VanDerWaalsContact CG-CE2 3.5Å; L106-F110 HydrophobicContact CG-CZ 4.46Å; L106-F110 WeakPolarHBondContact O-CD2 3.28Å; L106-F110 PolarHBondContact O-N 3.4Å; L106-L122 HydrophobicContact CD1-CD2 3.83Å; L106-L122 HydrophobicContact CD2-CD2 4.21Å
107	P	94.9	Very high	95.4	Very high	58 Å²	58	63.6 Å²	63.6	38%	0.377	34%	0.344	S	S	.	.	H	α-helix	trans	-58.1	-39.2	172.4	-26.8	37.1	0	0	0	112.6	Y102 F110 S111	Y102-P107 WeakPolarHBondContact O-CD 3.29Å; P107-F110 PolarHBondContact O-N 3.16Å; P107-S111 PolarHBondContact O-N 3.03Å; P107-S111 VanDerWaalsContact O-N 3.08Å; P107-S111 PolarHBondContact O-OG 3.38Å
108	T	92.1	Very high	95.3	Very high	46 Å²	46	63.7 Å²	63.7	28%	0.282	34%	0.343	S	S	.	.	H	α-helix	trans	-68.8	-36.4	177.3	-49.3	0	0	0	0	111.9	F104 V105 L106 S111 S112 L224	F104-T108 PolarHBondContact O-OG1 3.44Å; V105-T108 WeakPolarHBondContact O-CB 3.41Å; V105-T108 PolarHBondContact O-N 3.29Å; L106-T108 VanDerWaalsContact C-N 3.26Å; L106-T108 PolarHBondContact O-N 3.15Å; T108-S111 WeakPolarHBondContact CA-OG 3.27Å; T108-S111 PolarHBondContact O-N 3.31Å; T108-S111 PolarHBondContact O-OG 3.44Å; T108-S112 VanDerWaalsContact O-CB 3.23Å; T108-S112 WeakPolarHBondContact O-CB 3.27Å; T108-S112 PolarHBondContact O-N 3.25Å; T108-S112 PolarHBondContact O-OG 2.97Å; T108-S112 VanDerWaalsContact O-OG 3.05Å; T108-L224 HydrophobicContact CG2-CD2 3.65Å
109	I	92.7	Very high	95.2	Very high	13 Å²	13	64.1 Å²	64.1	7%	0.067	35%	0.351	C	S	.	.	H	α-helix	trans	-62.9	-44.4	172.6	-70.3	169.7	0	0	0	110.4	V105 L106 S111 S112 Y113 I118 H121	V105-I109 HydrophobicContact CG1-CD1 3.8Å; V105-I109 HydrophobicContact CG1-CG1 4.35Å; V105-I109 WeakPolarHBondContact O-CG1 3.43Å; V105-I109 PolarHBondContact O-N 2.72Å; L106-I109 PolarHBondContact O-N 2.95Å; L106-I109 VanDerWaalsContact O-N 3.16Å; I109-S111 VanDerWaalsContact C-N 3.32Å; I109-S111 PolarHBondContact O-N 3.02Å; I109-S112 PolarHBondContact O-N 3.26Å; I109-Y113 HydrophobicContact CB-CD2 4.48Å; I109-Y113 HydrophobicContact CG1-CD2 4.49Å; I109-Y113 HydrophobicContact CG2-CD2 4.4Å; I109-Y113 HydrophobicContact CG2-CG 4.49Å; I109-Y113 WeakPolarHBondContact O-CB 3.38Å; I109-Y113 PolarHBondContact O-N 3.45Å; I109-I118 HydrophobicContact CG2-CG1 4.05Å; I109-H121 HydrophobicContact CD1-CB 4.26Å; I109-H121 HydrophobicContact CG2-CB 4.37Å
110	F	95.3	Very high	95.1	Very high	111 Å²	111	66.1 Å²	66.1	49%	0.487	35%	0.352	S	S	.	.	H	α-helix	trans	-62.8	-35.1	178.6	-81.1	-62.7	0	0	0	113.4	L106 P107 I118 L122	L106-F110 HydrophobicContact CD1-CD2 4.12Å; L106-F110 HydrophobicContact CD1-CE2 3.73Å; L106-F110 HydrophobicContact CD1-CZ 4.3Å; L106-F110 HydrophobicContact CD2-CE2 3.88Å; L106-F110 HydrophobicContact CG-CD2 3.84Å; L106-F110 HydrophobicContact CG-CE2 3.5Å; L106-F110 VanDerWaalsContact CG-CE2 3.5Å; L106-F110 HydrophobicContact CG-CZ 4.46Å; L106-F110 WeakPolarHBondContact O-CD2 3.28Å; L106-F110 PolarHBondContact O-N 3.4Å; P107-F110 PolarHBondContact O-N 3.16Å; F110-I118 HydrophobicContact CD1-CD1 4.06Å; F110-I118 HydrophobicContact CD1-CG1 4.37Å; F110-I118 HydrophobicContact CD1-CG2 3.56Å; F110-I118 HydrophobicContact CE1-CG2 3.29Å; F110-I118 HydrophobicContact CZ-CG2 4.18Å; F110-L122 HydrophobicContact CE1-CD1 4.38Å; F110-L122 HydrophobicContact CZ-CD1 4.11Å; F110-L122 HydrophobicContact CZ-CD2 4.4Å
111	S	94.5	Very high	95	Very high	95 Å²	95	66.5 Å²	66.5	66%	0.664	35%	0.354	S	S	*	.	H	α-helix	trans	-80.2	-30	179.3	59	0	0	0	0	113.6	P107 T108 I109	P107-S111 PolarHBondContact O-N 3.03Å; P107-S111 VanDerWaalsContact O-N 3.08Å; P107-S111 PolarHBondContact O-OG 3.38Å; T108-S111 WeakPolarHBondContact CA-OG 3.27Å; T108-S111 PolarHBondContact O-N 3.31Å; T108-S111 PolarHBondContact O-OG 3.44Å; I109-S111 VanDerWaalsContact C-N 3.32Å; I109-S111 PolarHBondContact O-N 3.02Å
112	S	92.4	Very high	95	Very high	83 Å²	83	67.2 Å²	67.2	58%	0.58	36%	0.356	S	S	*	.	H	α-helix	trans	-110	-18.3	-164.8	-53.6	0	0	0	0	114.7	T108 I109	T108-S112 VanDerWaalsContact O-CB 3.23Å; T108-S112 WeakPolarHBondContact O-CB 3.27Å; T108-S112 PolarHBondContact O-N 3.25Å; T108-S112 PolarHBondContact O-OG 2.97Å; T108-S112 VanDerWaalsContact O-OG 3.05Å; I109-S112 PolarHBondContact O-N 3.26Å
113	Y	93.4	Very high	95	Very high	84 Å²	84	67.1 Å²	67.1	33%	0.329	37%	0.368	S	S	.	.	S	Bend	trans	-111.3	152.6	-173.7	-74.4	-106.8	0	0	0	112.5	I109 W117 I118	I109-Y113 HydrophobicContact CB-CD2 4.48Å; I109-Y113 HydrophobicContact CG1-CD2 4.49Å; I109-Y113 HydrophobicContact CG2-CD2 4.4Å; I109-Y113 HydrophobicContact CG2-CG 4.49Å; I109-Y113 WeakPolarHBondContact O-CB 3.38Å; I109-Y113 PolarHBondContact O-N 3.45Å; Y113-W117 HydrophobicContact CD1-CB 3.78Å; Y113-W117 HydrophobicContact CD1-CG 4.04Å; Y113-W117 HydrophobicContact CG-CB 4.36Å; Y113-I118 VanDerWaalsContact O-CD1 3.25Å; Y113-I118 WeakPolarHBondContact O-CD1 3.29Å
114	P	96.6	Very high	95.1	Very high	65 Å²	65	63.3 Å²	63.3	42%	0.422	35%	0.349	S	S	.	.			trans	-70.8	160.1	172.8	31.9	-37.2	0	0	0	111.7	H116 W117 I118	P114-H116 VanDerWaalsContact C-N 3.28Å; P114-H116 WeakPolarHBondContact CG-CE1 3.38Å; P114-H116 PolarHBondContact O-N 2.87Å; P114-H116 VanDerWaalsContact O-N 3.09Å; P114-W117 HydrophobicContact CG-CB 4.3Å; P114-W117 HydrophobicContact CG-CG 4.4Å; P114-W117 PolarHBondContact O-N 3.36Å; P114-I118 PolarHBondContact O-N 2.9Å; P114-I118 VanDerWaalsContact O-N 3.12Å
115	A	96.6	Very high	95.2	Very high	81 Å²	81	62.7 Å²	62.7	67%	0.669	35%	0.353	S	S	*	.	H	α-helix	trans	-52.9	-36.8	-173	0	0	0	0	0	115.1	I118 A119	A115-I118 PolarHBondContact O-N 3.09Å; A115-A119 WeakPolarHBondContact O-CB 3.24Å; A115-A119 PolarHBondContact O-N 3.35Å
116	H	95.5	Very high	95.3	Very high	122 Å²	122	65.9 Å²	65.9	57%	0.565	37%	0.367	S	S	*	.	H	α-helix	trans	-68.9	-36.2	179.2	61.1	-93.2	0	0	0	112.9	P114 A119 W120	P114-H116 VanDerWaalsContact C-N 3.28Å; P114-H116 WeakPolarHBondContact CG-CE1 3.38Å; P114-H116 PolarHBondContact O-N 2.87Å; P114-H116 VanDerWaalsContact O-N 3.09Å; H116-A119 PolarHBondContact O-N 3.1Å; H116-W120 WeakPolarHBondContact O-CB 3.47Å; H116-W120 PolarHBondContact O-N 3.23Å
117	W	94.6	Very high	95.5	Very high	117 Å²	117	69.3 Å²	69.3	44%	0.443	38%	0.378	S	S	.	.	H	α-helix	trans	-72.3	-37.9	175	-87	114.7	0	0	0	111.5	Y113 P114 W120 H121	Y113-W117 HydrophobicContact CD1-CB 3.78Å; Y113-W117 HydrophobicContact CD1-CG 4.04Å; Y113-W117 HydrophobicContact CG-CB 4.36Å; P114-W117 HydrophobicContact CG-CB 4.3Å; P114-W117 HydrophobicContact CG-CG 4.4Å; P114-W117 PolarHBondContact O-N 3.36Å; W117-W120 HydrophobicContact CE3-CB 4.39Å; W117-W120 AromaticContact CE3-CD1 3.73Å; W117-W120 HydrophobicContact CE3-CG 4.25Å; W117-W120 AromaticContact CZ3-CD1 3.62Å; W117-W120 HydrophobicContact CZ3-CG 4.28Å; W117-W120 AromaticContact CZ3-NE1 3.98Å; W117-W120 WeakPolarHBondContact O-CB 3.3Å; W117-W120 PolarHBondContact O-N 2.87Å; W117-H121 PolarHBondContact O-CD2 3.4Å; W117-H121 PolarHBondContact O-N 3.13Å
118	I	95.8	Very high	95.7	Very high	24 Å²	24	67 Å²	67	12%	0.123	36%	0.363	C	S	.	.	H	α-helix	trans	-58.3	-50.2	171.5	-66	166.2	0	0	0	110	I109 F110 Y113 P114 A115 W120 H121 L122	I109-I118 HydrophobicContact CG2-CG1 4.05Å; F110-I118 HydrophobicContact CD1-CD1 4.06Å; F110-I118 HydrophobicContact CD1-CG1 4.37Å; F110-I118 HydrophobicContact CD1-CG2 3.56Å; F110-I118 HydrophobicContact CE1-CG2 3.29Å; F110-I118 HydrophobicContact CZ-CG2 4.18Å; Y113-I118 VanDerWaalsContact O-CD1 3.25Å; Y113-I118 WeakPolarHBondContact O-CD1 3.29Å; P114-I118 PolarHBondContact O-N 2.9Å; P114-I118 VanDerWaalsContact O-N 3.12Å; A115-I118 PolarHBondContact O-N 3.09Å; I118-W120 VanDerWaalsContact C-N 3.34Å; I118-W120 PolarHBondContact O-N 3.12Å; I118-H121 PolarHBondContact O-N 3.5Å; I118-H121 VanDerWaalsContact O-N 3.17Å; I118-L122 HydrophobicContact CG2-CD1 4.05Å; I118-L122 WeakPolarHBondContact O-CG 3.25Å; I118-L122 PolarHBondContact O-N 3.05Å
119	A	97	Very high	96	Very high	48 Å²	48	67.1 Å²	67.1	40%	0.397	36%	0.361	S	S	.	.	H	α-helix	trans	-59.8	-44	178	0	0	0	0	0	111.8	A115 H116 H121 L122 C123	A115-A119 WeakPolarHBondContact O-CB 3.24Å; A115-A119 PolarHBondContact O-N 3.35Å; H116-A119 PolarHBondContact O-N 3.1Å; A119-H121 PolarHBondContact O-N 3.39Å; A119-L122 PolarHBondContact O-N 3.16Å; A119-C123 WeakPolarHBondContact O-CB 3.48Å; A119-C123 PolarHBondContact O-N 2.62Å; A119-C123 PolarHBondContact O-SG 3.47Å
120	W	95.8	Very high	96.3	Very high	139 Å²	139	71 Å²	71	53%	0.527	38%	0.382	S	S	.	.	H	α-helix	trans	-56.2	-48.6	173.3	171.3	-101.6	0	0	0	111.8	H116 W117 I118 L122 C123 C124	H116-W120 WeakPolarHBondContact O-CB 3.47Å; H116-W120 PolarHBondContact O-N 3.23Å; W117-W120 HydrophobicContact CE3-CB 4.39Å; W117-W120 AromaticContact CE3-CD1 3.73Å; W117-W120 HydrophobicContact CE3-CG 4.25Å; W117-W120 AromaticContact CZ3-CD1 3.62Å; W117-W120 HydrophobicContact CZ3-CG 4.28Å; W117-W120 AromaticContact CZ3-NE1 3.98Å; W117-W120 WeakPolarHBondContact O-CB 3.3Å; W117-W120 PolarHBondContact O-N 2.87Å; I118-W120 VanDerWaalsContact C-N 3.34Å; I118-W120 PolarHBondContact O-N 3.12Å; W120-L122 VanDerWaalsContact C-N 3.33Å; W120-L122 PolarHBondContact O-N 2.94Å; W120-C123 PolarHBondContact O-N 3.14Å; W120-C124 HydrophobicContact CD2-CB 4.26Å; W120-C124 HydrophobicContact CZ2-CB 4.17Å; W120-C124 WeakPolarHBondContact O-CB 3.34Å; W120-C124 PolarHBondContact O-N 2.97Å
121	H	95.3	Very high	96.4	Very high	20 Å²	20	65.8 Å²	65.8	9%	0.093	36%	0.358	C	S	.	.	H	α-helix	trans	-64.5	-39.3	-177.6	-77.8	-61	0	0	0	112.8	I109 W117 I118 A119 G125 Y216	I109-H121 HydrophobicContact CD1-CB 4.26Å; I109-H121 HydrophobicContact CG2-CB 4.37Å; W117-H121 PolarHBondContact O-CD2 3.4Å; W117-H121 PolarHBondContact O-N 3.13Å; I118-H121 PolarHBondContact O-N 3.5Å; I118-H121 VanDerWaalsContact O-N 3.17Å; A119-H121 PolarHBondContact O-N 3.39Å; H121-G125 WeakPolarHBondContact O-CA 3.38Å; H121-G125 PolarHBondContact O-N 3.02Å; H121-Y216 WeakPolarHBondContact CA-OH 3.28Å; H121-Y216 AromaticContact ND1-CZ 3.64Å; H121-Y216 PolarHBondContact ND1-OH 2.93Å; H121-Y216 PolarHBondContact O-OH 2.92Å
122	L	96.1	Very high	96.6	Very high	52 Å²	52	61.7 Å²	61.7	27%	0.272	33%	0.33	S	S	.	.	H	α-helix	trans	-65.2	-54	174.4	-69	173.9	0	0	0	110.9	L106 F110 I118 A119 W120 H126	L106-L122 HydrophobicContact CD1-CD2 3.83Å; L106-L122 HydrophobicContact CD2-CD2 4.21Å; F110-L122 HydrophobicContact CE1-CD1 4.38Å; F110-L122 HydrophobicContact CZ-CD1 4.11Å; F110-L122 HydrophobicContact CZ-CD2 4.4Å; I118-L122 HydrophobicContact CG2-CD1 4.05Å; I118-L122 WeakPolarHBondContact O-CG 3.25Å; I118-L122 PolarHBondContact O-N 3.05Å; A119-L122 PolarHBondContact O-N 3.16Å; W120-L122 VanDerWaalsContact C-N 3.33Å; W120-L122 PolarHBondContact O-N 2.94Å; L122-H126 WeakPolarHBondContact O-CB 3.13Å; L122-H126 PolarHBondContact O-N 2.8Å; L122-H126 PolarHBondContact O-ND1 2.78Å
123	C	97.4	Very high	96.9	Very high	91 Å²	91	61.7 Å²	61.7	62%	0.615	33%	0.326	S	S	*	.	H	α-helix	trans	-63.8	-52.2	-176.7	-68	0	0	0	0	112.3	A119 W120 W127	A119-C123 WeakPolarHBondContact O-CB 3.48Å; A119-C123 PolarHBondContact O-N 2.62Å; A119-C123 PolarHBondContact O-SG 3.47Å; W120-C123 PolarHBondContact O-N 3.14Å; C123-W127 WeakPolarHBondContact O-CB 3.14Å; C123-W127 PolarHBondContact O-N 3.47Å
124	C	97.4	Very high	97.2	Very high	15 Å²	15	59.7 Å²	59.7	10%	0.101	32%	0.319	C	S	.	.	H	α-helix	trans	-67	-44.4	-178.2	-173.5	0	0	0	0	111.5	W120 W127 L128 Y216	W120-C124 HydrophobicContact CD2-CB 4.26Å; W120-C124 HydrophobicContact CZ2-CB 4.17Å; W120-C124 WeakPolarHBondContact O-CB 3.34Å; W120-C124 PolarHBondContact O-N 2.97Å; C124-W127 PolarHBondContact O-N 3.5Å; C124-L128 WeakPolarHBondContact O-CG 3.38Å; C124-L128 PolarHBondContact O-N 2.79Å; C124-Y216 HydrophobicContact CB-CE2 4.37Å
125	G	96.9	Very high	97.3	Very high	22 Å²	22	56.6 Å²	56.6	23%	0.227	30%	0.299	C	S	.	.	H	α-helix	trans	-61.6	-47	179.3	0	0	0	0	0	112.8	H121 L129	H121-G125 WeakPolarHBondContact O-CA 3.38Å; H121-G125 PolarHBondContact O-N 3.02Å; G125-L129 WeakPolarHBondContact O-CB 3.44Å; G125-L129 PolarHBondContact O-N 3.01Å
126	H	97.5	Very high	97.4	Very high	74 Å²	74	53.9 Å²	53.9	34%	0.343	27%	0.271	S	S	.	.	H	α-helix	trans	-69.5	-37.4	177.8	-70.7	78	0	0	0	112	Y102 L122 L129 I130	Y102-H126 AromaticContact CZ-NE2 3.8Å; Y102-H126 PolarHBondContact OH-CD2 3.34Å; Y102-H126 PolarHBondContact OH-CE1 3.27Å; Y102-H126 VanDerWaalsContact OH-CE1 3.29Å; Y102-H126 PolarHBondContact OH-NE2 2.97Å; L122-H126 WeakPolarHBondContact O-CB 3.13Å; L122-H126 PolarHBondContact O-N 2.8Å; L122-H126 PolarHBondContact O-ND1 2.78Å; H126-L129 PolarHBondContact O-N 2.91Å; H126-I130 WeakPolarHBondContact O-CB 3.33Å; H126-I130 VanDerWaalsContact O-CG1 3.24Å; H126-I130 WeakPolarHBondContact O-CG1 3.31Å; H126-I130 PolarHBondContact O-N 3.28Å
127	W	98.3	Very high	97.5	Very high	96 Å²	96	54.8 Å²	54.8	36%	0.364	27%	0.271	S	S	.	.	H	α-helix	trans	-59.1	-48	175.2	172.2	60.9	0	0	0	111.7	C123 C124 I130 L131 Y209 L334	C123-W127 WeakPolarHBondContact O-CB 3.14Å; C123-W127 PolarHBondContact O-N 3.47Å; C124-W127 PolarHBondContact O-N 3.5Å; W127-I130 PolarHBondContact O-N 3.33Å; W127-L131 HydrophobicContact CD2-CD1 4.06Å; W127-L131 VanDerWaalsContact CE2-CD1 3.41Å; W127-L131 HydrophobicContact CG-CD1 4.29Å; W127-L131 HydrophobicContact CZ2-CD1 3.73Å; W127-L131 VanDerWaalsContact NE1-CD1 3.28Å; W127-L131 WeakPolarHBondContact O-CG 3.44Å; W127-L131 PolarHBondContact O-N 3.5Å; W127-L131 VanDerWaalsContact O-N 3.11Å; W127-Y209 HydrophobicContact CH2-CE1 4.45Å; W127-Y209 HydrophobicContact CZ2-CE1 4.36Å; W127-L334 HydrophobicContact CH2-CD2 4.49Å; W127-L334 HydrophobicContact CZ2-CB 4.42Å; W127-L334 HydrophobicContact CZ2-CD2 4.08Å; W127-L334 PolarHBondContact NE1-O 3.06Å
128	L	98.4	Very high	97.7	Very high	10 Å²	10	51 Å²	51	5%	0.052	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-44.9	175.2	-72.2	167.9	0	0	0	111.6	C124 I130 L131 V132 Y209 L212 Y216	C124-L128 WeakPolarHBondContact O-CG 3.38Å; C124-L128 PolarHBondContact O-N 2.79Å; L128-I130 PolarHBondContact O-N 3.02Å; L128-L131 PolarHBondContact O-N 2.79Å; L128-V132 WeakPolarHBondContact O-CG2 3.49Å; L128-V132 PolarHBondContact O-N 2.98Å; L128-Y209 HydrophobicContact CD2-CD1 4.21Å; L128-L212 HydrophobicContact CD2-CB 3.97Å; L128-Y216 HydrophobicContact CD1-CD1 4.07Å; L128-Y216 HydrophobicContact CD1-CD2 4.44Å; L128-Y216 HydrophobicContact CD1-CG 3.88Å
129	L	98.1	Very high	97.8	Very high	48 Å²	48	49.9 Å²	49.9	25%	0.251	25%	0.252	S	S	.	.	H	α-helix	trans	-60	-46.9	178.7	179.3	60	0	0	0	112	V98 G125 H126 L131 V132 V133	V98-L129 HydrophobicContact CG1-CD2 4.48Å; V98-L129 HydrophobicContact CG2-CD1 3.67Å; V98-L129 HydrophobicContact CG2-CD2 4.32Å; G125-L129 WeakPolarHBondContact O-CB 3.44Å; G125-L129 PolarHBondContact O-N 3.01Å; H126-L129 PolarHBondContact O-N 2.91Å; L129-L131 VanDerWaalsContact C-N 3.3Å; L129-L131 PolarHBondContact O-N 3.48Å; L129-V132 PolarHBondContact O-N 3.13Å; L129-V133 HydrophobicContact CD1-CG2 3.97Å; L129-V133 HydrophobicContact CG-CG2 4.49Å; L129-V133 WeakPolarHBondContact O-CB 3.46Å; L129-V133 WeakPolarHBondContact O-CG2 3.43Å; L129-V133 PolarHBondContact O-N 2.85Å
130	I	98.5	Very high	97.8	Very high	95 Å²	95	49.2 Å²	49.2	49%	0.487	24%	0.242	S	C	.	.	H	α-helix	trans	-58.2	-45.1	177.5	-72.4	165.4	0	0	0	110.2	H126 W127 L128 F134 P336	H126-I130 WeakPolarHBondContact O-CB 3.33Å; H126-I130 VanDerWaalsContact O-CG1 3.24Å; H126-I130 WeakPolarHBondContact O-CG1 3.31Å; H126-I130 PolarHBondContact O-N 3.28Å; W127-I130 PolarHBondContact O-N 3.33Å; L128-I130 PolarHBondContact O-N 3.02Å; I130-F134 WeakPolarHBondContact O-CB 3.17Å; I130-F134 PolarHBondContact O-N 3.34Å; I130-P336 HydrophobicContact CG2-CG 3.69Å
131	L	98.6	Very high	97.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-68.5	-40	-179.4	-70	171.5	0	0	0	112.6	W127 L128 L129 H135 Y209 P336	W127-L131 HydrophobicContact CD2-CD1 4.06Å; W127-L131 VanDerWaalsContact CE2-CD1 3.41Å; W127-L131 HydrophobicContact CG-CD1 4.29Å; W127-L131 HydrophobicContact CZ2-CD1 3.73Å; W127-L131 VanDerWaalsContact NE1-CD1 3.28Å; W127-L131 WeakPolarHBondContact O-CG 3.44Å; W127-L131 PolarHBondContact O-N 3.5Å; W127-L131 VanDerWaalsContact O-N 3.11Å; L128-L131 PolarHBondContact O-N 2.79Å; L129-L131 VanDerWaalsContact C-N 3.3Å; L129-L131 PolarHBondContact O-N 3.48Å; L131-H135 WeakPolarHBondContact O-CB 3.48Å; L131-H135 PolarHBondContact O-N 3.14Å; L131-H135 PolarHBondContact O-ND1 3.3Å; L131-Y209 HydrophobicContact CB-CD1 4.21Å; L131-Y209 HydrophobicContact CB-CD2 3.84Å; L131-Y209 HydrophobicContact CB-CE2 4.28Å; L131-Y209 HydrophobicContact CB-CG 3.8Å; L131-Y209 HydrophobicContact CD1-CD1 3.72Å; L131-Y209 HydrophobicContact CD1-CD2 4.23Å; L131-Y209 HydrophobicContact CD1-CE1 3.49Å; L131-Y209 VanDerWaalsContact CD1-CE1 3.49Å; L131-Y209 HydrophobicContact CD1-CE2 3.99Å; L131-Y209 HydrophobicContact CD1-CG 4.11Å; L131-Y209 HydrophobicContact CD2-CE2 4.29Å; L131-Y209 HydrophobicContact CG-CD2 4.48Å; L131-Y209 HydrophobicContact CG-CE2 4.45Å; L131-P336 HydrophobicContact CD2-CG 4.28Å
132	V	98.6	Very high	98	Very high	10 Å²	10	46.3 Å²	46.3	6%	0.061	24%	0.242	C	C	.	.	H	α-helix	trans	-60.8	-52.6	175.2	168.6	0	0	0	0	110.3	L128 L129 F134 Y136 F206 Y209 M210	L128-V132 WeakPolarHBondContact O-CG2 3.49Å; L128-V132 PolarHBondContact O-N 2.98Å; L129-V132 PolarHBondContact O-N 3.13Å; V132-F134 PolarHBondContact O-N 3.39Å; V132-Y136 WeakPolarHBondContact O-CB 3.37Å; V132-Y136 PolarHBondContact O-N 3.48Å; V132-F206 HydrophobicContact CG1-CE2 4.44Å; V132-Y209 WeakPolarHBondContact CG2-O 3.28Å; V132-M210 HydrophobicContact CG1-SD 3.88Å; V132-M210 HydrophobicContact CG2-CB 4.31Å; V132-M210 HydrophobicContact CG2-SD 4.44Å
133	V	98.5	Very high	98.1	Very high	82 Å²	82	46.6 Å²	46.6	50%	0.497	25%	0.248	S	C	.	.	H	α-helix	trans	-62.7	-47.4	-177.8	172.7	0	0	0	0	110.9	L129 Y136 Y137	L129-V133 HydrophobicContact CD1-CG2 3.97Å; L129-V133 HydrophobicContact CG-CG2 4.49Å; L129-V133 WeakPolarHBondContact O-CB 3.46Å; L129-V133 WeakPolarHBondContact O-CG2 3.43Å; L129-V133 PolarHBondContact O-N 2.85Å; V133-Y136 PolarHBondContact O-N 3.4Å; V133-Y137 VanDerWaalsContact O-CB 3.28Å; V133-Y137 WeakPolarHBondContact O-CB 3.28Å; V133-Y137 PolarHBondContact O-N 3.21Å
134	F	98.7	Very high	98	Very high	43 Å²	43	42.5 Å²	42.5	19%	0.189	22%	0.22	C	C	.	.	H	α-helix	trans	-60.5	-51.4	-179.8	175.4	-96.7	0	0	0	112.1	I130 V132 Y137 K138 Y202 P336 S337	I130-F134 WeakPolarHBondContact O-CB 3.17Å; I130-F134 PolarHBondContact O-N 3.34Å; V132-F134 PolarHBondContact O-N 3.39Å; F134-Y137 PolarHBondContact O-N 2.79Å; F134-K138 HydrophobicContact CD1-CG 4.34Å; F134-K138 HydrophobicContact CD2-CG 4.35Å; F134-K138 HydrophobicContact CE1-CG 3.91Å; F134-K138 HydrophobicContact CE2-CD 4.35Å; F134-K138 HydrophobicContact CE2-CG 3.93Å; F134-K138 HydrophobicContact CZ-CD 4.25Å; F134-K138 HydrophobicContact CZ-CG 3.69Å; F134-K138 WeakPolarHBondContact O-CB 3.46Å; F134-K138 WeakPolarHBondContact O-CG 3.28Å; F134-K138 PolarHBondContact O-N 3.5Å; F134-Y202 HydrophobicContact CE1-CD1 4.48Å; F134-Y202 HydrophobicContact CE1-CE1 4.22Å; F134-P336 HydrophobicContact CB-CB 4.33Å; F134-P336 HydrophobicContact CB-CG 4.44Å; F134-P336 HydrophobicContact CD1-CB 3.83Å; F134-P336 HydrophobicContact CD2-CB 3.73Å; F134-P336 HydrophobicContact CE1-CB 4.02Å; F134-P336 HydrophobicContact CE2-CB 3.91Å; F134-P336 HydrophobicContact CG-CB 3.68Å; F134-P336 HydrophobicContact CG-CG 4.29Å; F134-P336 HydrophobicContact CZ-CB 4.06Å; F134-S337 VanDerWaalsContact CE1-N 3.28Å
135	H	98.7	Very high	97.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-70	-35.3	-176.7	-70.5	99.9	0	0	0	112	L131 K138 A139 Y202 S205 F206 Y209	L131-H135 WeakPolarHBondContact O-CB 3.48Å; L131-H135 PolarHBondContact O-N 3.14Å; L131-H135 PolarHBondContact O-ND1 3.3Å; H135-K138 PolarHBondContact O-N 2.93Å; H135-A139 WeakPolarHBondContact O-CB 3.2Å; H135-A139 PolarHBondContact O-N 3.41Å; H135-Y202 AromaticContact CD2-CD1 3.97Å; H135-S205 WeakPolarHBondContact CD2-CB 3.36Å; H135-S205 WeakPolarHBondContact NE2-CB 3.25Å; H135-F206 HydrophobicContact CB-CB 3.9Å; H135-Y209 AromaticContact CE1-CE2 3.87Å; H135-Y209 AromaticContact ND1-CD2 3.86Å
136	Y	98.6	Very high	97.8	Very high	23 Å²	23	44.5 Å²	44.5	9%	0.09	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-48.7	173.6	-171.6	-115.2	0	0	0	111.4	V87 V90 V91 V132 V133 K138 A139 T140 W190 L191 F206	V87-Y136 WeakPolarHBondContact CA-OH 3.47Å; V90-Y136 HydrophobicContact CB-CE1 4.42Å; V90-Y136 HydrophobicContact CB-CE2 4.33Å; V90-Y136 HydrophobicContact CG1-CD1 4.48Å; V90-Y136 HydrophobicContact CG1-CD2 4.28Å; V90-Y136 HydrophobicContact CG1-CE1 3.93Å; V90-Y136 HydrophobicContact CG1-CE2 3.71Å; V91-Y136 HydrophobicContact CG2-CE1 4.02Å; V132-Y136 WeakPolarHBondContact O-CB 3.37Å; V132-Y136 PolarHBondContact O-N 3.48Å; V133-Y136 PolarHBondContact O-N 3.4Å; Y136-K138 VanDerWaalsContact C-N 3.34Å; Y136-K138 PolarHBondContact O-N 3.49Å; Y136-A139 PolarHBondContact O-N 3.29Å; Y136-T140 HydrophobicContact CD1-CG2 4.46Å; Y136-T140 HydrophobicContact CD2-CG2 4.38Å; Y136-T140 HydrophobicContact CE1-CG2 4.07Å; Y136-T140 HydrophobicContact CE2-CG2 3.99Å; Y136-T140 WeakPolarHBondContact O-CG2 3.41Å; Y136-T140 PolarHBondContact O-N 3.06Å; Y136-T140 PolarHBondContact O-OG1 3.4Å; Y136-T140 VanDerWaalsContact O-OG1 3.12Å; Y136-W190 PolarHBondContact OH-O 3.36Å; Y136-L191 HydrophobicContact CD2-CD2 3.99Å; Y136-L191 HydrophobicContact CE2-CD2 3.72Å; Y136-F206 HydrophobicContact CD2-CD1 4.11Å; Y136-F206 AromaticContact CD2-CD2 3.75Å; Y136-F206 HydrophobicContact CD2-CD2 3.75Å; Y136-F206 AromaticContact CD2-CE1 3.85Å; Y136-F206 HydrophobicContact CD2-CE1 3.85Å; Y136-F206 AromaticContact CD2-CE2 3.46Å; Y136-F206 HydrophobicContact CD2-CE2 3.46Å; Y136-F206 VanDerWaalsContact CD2-CE2 3.46Å; Y136-F206 HydrophobicContact CD2-CG 4.06Å; Y136-F206 AromaticContact CD2-CZ 3.51Å; Y136-F206 HydrophobicContact CD2-CZ 3.51Å; Y136-F206 HydrophobicContact CE2-CE1 4.21Å; Y136-F206 HydrophobicContact CE2-CE2 4.3Å; Y136-F206 AromaticContact CE2-CZ 3.94Å; Y136-F206 HydrophobicContact CE2-CZ 3.94Å; Y136-F206 HydrophobicContact CG-CD2 4.1Å; Y136-F206 AromaticContact CG-CE2 3.94Å; Y136-F206 HydrophobicContact CG-CE2 3.94Å; Y136-F206 HydrophobicContact CG-CZ 4.41Å
137	Y	98.5	Very high	97.5	Very high	142 Å²	142	41.8 Å²	41.8	56%	0.557	21%	0.212	S	C	*	.	H	α-helix	trans	-57	-46.6	175.5	173.2	-99.8	0	0	0	111.7	V133 F134 A139 T140 T141	V133-Y137 VanDerWaalsContact O-CB 3.28Å; V133-Y137 WeakPolarHBondContact O-CB 3.28Å; V133-Y137 PolarHBondContact O-N 3.21Å; F134-Y137 PolarHBondContact O-N 2.79Å; Y137-A139 PolarHBondContact O-N 2.91Å; Y137-T140 PolarHBondContact O-N 3.12Å; Y137-T140 PolarHBondContact O-OG1 3.25Å; Y137-T141 HydrophobicContact CD2-CG2 3.95Å; Y137-T141 HydrophobicContact CE2-CG2 3.64Å; Y137-T141 WeakPolarHBondContact O-CB 3.21Å; Y137-T141 WeakPolarHBondContact O-CG2 3.25Å; Y137-T141 PolarHBondContact O-N 3.28Å; Y137-T141 PolarHBondContact O-OG1 3.21Å
138	K	98.5	Very high	96.9	Very high	38 Å²	38	39.6 Å²	39.6	17%	0.165	21%	0.21	C	C	.	.	H	α-helix	trans	-66.9	-36.9	178.7	-71.2	-63.5	-63.5	169.2	0	112.3	F134 H135 Y136 T142 Y202	F134-K138 HydrophobicContact CD1-CG 4.34Å; F134-K138 HydrophobicContact CD2-CG 4.35Å; F134-K138 HydrophobicContact CE1-CG 3.91Å; F134-K138 HydrophobicContact CE2-CD 4.35Å; F134-K138 HydrophobicContact CE2-CG 3.93Å; F134-K138 HydrophobicContact CZ-CD 4.25Å; F134-K138 HydrophobicContact CZ-CG 3.69Å; F134-K138 WeakPolarHBondContact O-CB 3.46Å; F134-K138 WeakPolarHBondContact O-CG 3.28Å; F134-K138 PolarHBondContact O-N 3.5Å; H135-K138 PolarHBondContact O-N 2.93Å; Y136-K138 VanDerWaalsContact C-N 3.34Å; Y136-K138 PolarHBondContact O-N 3.49Å; K138-T142 WeakPolarHBondContact CE-OG1 3.39Å; K138-T142 PolarHBondContact NZ-OG1 3.44Å; K138-T142 WeakPolarHBondContact O-CB 3.29Å; K138-T142 PolarHBondContact O-N 3.4Å; K138-T142 PolarHBondContact O-OG1 3.47Å; K138-Y202 HydrophobicContact CB-CD1 3.46Å; K138-Y202 VanDerWaalsContact CB-CD1 3.46Å; K138-Y202 HydrophobicContact CB-CD2 3.77Å; K138-Y202 HydrophobicContact CB-CE1 3.79Å; K138-Y202 HydrophobicContact CB-CE2 4.13Å; K138-Y202 HydrophobicContact CB-CG 3.45Å; K138-Y202 VanDerWaalsContact CB-CG 3.45Å; K138-Y202 HydrophobicContact CD-CE1 4.49Å; K138-Y202 VanDerWaalsContact CE-OH 3.28Å; K138-Y202 WeakPolarHBondContact CE-OH 3.37Å; K138-Y202 HydrophobicContact CG-CD1 4.02Å; K138-Y202 HydrophobicContact CG-CE1 3.9Å; K138-Y202 HydrophobicContact CG-CG 4.45Å
139	A	98.2	Very high	95.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-67.6	-38.7	178.5	0	0	0	0	0	112.4	H135 Y136 Y137 L191 N193 N199	H135-A139 WeakPolarHBondContact O-CB 3.2Å; H135-A139 PolarHBondContact O-N 3.41Å; Y136-A139 PolarHBondContact O-N 3.29Å; Y137-A139 PolarHBondContact O-N 2.91Å; A139-L191 HydrophobicContact CB-CD1 3.82Å; A139-L191 HydrophobicContact CB-CD2 3.77Å; A139-L191 HydrophobicContact CB-CG 4.44Å; A139-N193 PolarHBondContact O-ND2 3.41Å; A139-N193 VanDerWaalsContact O-ND2 3.17Å; A139-N199 PolarHBondContact O-ND2 2.87Å
140	T	97.9	Very high	94.6	Very high	33 Å²	33	52.8 Å²	52.8	20%	0.202	27%	0.272	C	S	.	.	H	α-helix	trans	-75.2	-40.7	178.6	55.2	0	0	0	0	112.7	Y136 Y137 L191 N193	Y136-T140 HydrophobicContact CD1-CG2 4.46Å; Y136-T140 HydrophobicContact CD2-CG2 4.38Å; Y136-T140 HydrophobicContact CE1-CG2 4.07Å; Y136-T140 HydrophobicContact CE2-CG2 3.99Å; Y136-T140 WeakPolarHBondContact O-CG2 3.41Å; Y136-T140 PolarHBondContact O-N 3.06Å; Y136-T140 PolarHBondContact O-OG1 3.4Å; Y136-T140 VanDerWaalsContact O-OG1 3.12Å; Y137-T140 PolarHBondContact O-N 3.12Å; Y137-T140 PolarHBondContact O-OG1 3.25Å; T140-L191 HydrophobicContact CG2-CB 4.3Å; T140-L191 HydrophobicContact CG2-CD2 3.91Å; T140-N193 PolarHBondContact O-ND2 3Å
141	T	97.5	Very high	93.1	Very high	75 Å²	75	55.2 Å²	55.2	46%	0.46	28%	0.279	S	S	.	.	H	α-helix	trans	-95	-23	-171.9	60.6	0	0	0	0	114.9	Y137 S143	Y137-T141 HydrophobicContact CD2-CG2 3.95Å; Y137-T141 HydrophobicContact CE2-CG2 3.64Å; Y137-T141 WeakPolarHBondContact O-CB 3.21Å; Y137-T141 WeakPolarHBondContact O-CG2 3.25Å; Y137-T141 PolarHBondContact O-N 3.28Å; Y137-T141 PolarHBondContact O-OG1 3.21Å; T141-S143 PolarHBondContact O-N 3.17Å
142	T	97.8	Very high	91.4	Very high	24 Å²	24	66.3 Å²	66.3	15%	0.147	32%	0.321	C	S	.	.	S	Bend	trans	-76.8	123.8	-179.9	-53.8	0	0	0	0	109.7	K138 N193 L198 N199 Y202	K138-T142 WeakPolarHBondContact CE-OG1 3.39Å; K138-T142 PolarHBondContact NZ-OG1 3.44Å; K138-T142 WeakPolarHBondContact O-CB 3.29Å; K138-T142 PolarHBondContact O-N 3.4Å; K138-T142 PolarHBondContact O-OG1 3.47Å; T142-N193 PolarHBondContact O-ND2 2.93Å; T142-L198 HydrophobicContact CG2-CB 4.4Å; T142-N199 HydrophobicContact CG2-CB 4.17Å; T142-N199 PolarHBondContact O-ND2 2.85Å; T142-Y202 HydrophobicContact CG2-CE2 4.22Å
143	S	97	Very high	90	Very high	57 Å²	57	73.5 Å²	73.5	40%	0.399	36%	0.359	S	S	.	.			trans	-51.8	135.3	170.4	171.9	0	0	0	0	110.5	T141 G145 H146 L198	T141-S143 PolarHBondContact O-N 3.17Å; S143-G145 PolarHBondContact O-N 3.02Å; S143-H146 PolarHBondContact OG-CE1 2.8Å; S143-H146 PolarHBondContact OG-ND1 3.49Å; S143-L198 VanDerWaalsContact O-CB 3.27Å; S143-L198 WeakPolarHBondContact O-CB 3.49Å
144	P	96.5	Very high	88.9	Confident	5 Å²	5	70.3 Å²	70.3	3%	0.032	34%	0.34	C	S	.	.			trans	-70.6	-13.9	-177.4	31.2	-39.2	0	0	0	113.8	V181 C194 G196 H197 L198	P144-V181 HydrophobicContact CB-CG1 3.71Å; P144-V181 HydrophobicContact CG-CG1 4.13Å; P144-V181 HydrophobicContact CG-CG2 4.25Å; P144-C194 HydrophobicContact CB-CB 4.15Å; P144-C194 WeakPolarHBondContact CB-O 3.25Å; P144-C194 HydrophobicContact CG-CB 3.95Å; P144-G196 CarbonylContact O-C 3.43Å; P144-G196 VanDerWaalsContact O-C 3.3Å; P144-H197 PolarHBondContact O-N 3.24Å; P144-L198 PolarHBondContact O-N 3.31Å; P144-L198 VanDerWaalsContact O-N 3.13Å
145	G	95.2	Very high	87.9	Confident	3 Å²	3	71.1 Å²	71.1	3%	0.031	35%	0.35	C	S	.	.			trans	96.1	133.6	-175.4	0	0	0	0	0	112.1	S143 V181 L182	S143-G145 PolarHBondContact O-N 3.02Å; G145-V181 WeakPolarHBondContact O-CA 3.41Å; G145-L182 PolarHBondContact O-N 3.44Å
146	H	93.8	Very high	87.1	Confident	76 Å²	76	74.2 Å²	74.2	35%	0.352	37%	0.371	S	S	.	.			trans	-133.4	144.9	-173.3	-50.7	90.9	0	0	0	110.1	S143 L179 C180	S143-H146 PolarHBondContact OG-CE1 2.8Å; S143-H146 PolarHBondContact OG-ND1 3.49Å; H146-L179 VanDerWaalsContact CD2-CD1 3.43Å; H146-L179 WeakPolarHBondContact CD2-CD1 3.45Å; H146-L179 WeakPolarHBondContact NE2-CD1 3.45Å; H146-L179 VanDerWaalsContact NE2-CD2 3.35Å; H146-L179 WeakPolarHBondContact NE2-CD2 3.01Å; H146-C180 PolarHBondContact CD2-O 2.86Å
147	P	90.9	Very high	86.4	Confident	17 Å²	17	77.4 Å²	77.4	11%	0.11	39%	0.393	C	S	.	.			trans	-65.9	143.8	173	27.9	-32	0	0	0	110.4	P168 T171 C180 L182	P147-P168 HydrophobicContact CB-CG 3.98Å; P147-T171 HydrophobicContact CG-CG2 4.44Å; P147-C180 WeakPolarHBondContact CD-O 2.99Å; P147-C180 HydrophobicContact CG-CB 3.71Å; P147-L182 HydrophobicContact CB-CD2 4.1Å
148	P	86.2	Confident	85.9	Confident	50 Å²	50	73.2 Å²	73.2	33%	0.325	38%	0.384	S	S	.	.			trans	-64.6	137.5	175.9	26.6	-32.8	0	0	0	110.4	K151 V154 L346	P148-K151 HydrophobicContact CB-CB 4.38Å; P148-K151 HydrophobicContact CB-CD 4.39Å; P148-K151 HydrophobicContact CB-CG 4.28Å; P148-K151 HydrophobicContact CG-CB 4.12Å; P148-K151 HydrophobicContact CG-CD 4.19Å; P148-K151 HydrophobicContact CG-CG 4.35Å; P148-V154 HydrophobicContact CG-CG2 3.89Å; P148-L346 HydrophobicContact CG-CD1 4.42Å
149	K	76.4	Confident	85.3	Confident	179 Å²	179	76.1 Å²	76.1	78%	0.778	40%	0.401	S	S	*	.	S	Bend	trans	-77.6	-30.4	-176.4	-66.9	-177.7	-179.6	177.9	0	113.5
150	D	71.5	Confident	85	Confident	156 Å²	156	76.6 Å²	76.6	83%	0.834	40%	0.404	S	S	*	.	S	Bend	trans	-105	-1.6	-167.9	-56.2	-49.8	0	0	0	114.5
151	K	67.2	Low	84.5	Confident	146 Å²	146	84.1 Å²	84.1	64%	0.635	43%	0.434	S	S	*	.			trans	-93.6	116.4	179	-68.7	-168.9	176.7	-172.5	0	110.5	P148 V154	P148-K151 HydrophobicContact CB-CB 4.38Å; P148-K151 HydrophobicContact CB-CD 4.39Å; P148-K151 HydrophobicContact CB-CG 4.28Å; P148-K151 HydrophobicContact CG-CB 4.12Å; P148-K151 HydrophobicContact CG-CD 4.19Å; P148-K151 HydrophobicContact CG-CG 4.35Å; K151-V154 HydrophobicContact CB-CG2 3.67Å; K151-V154 WeakPolarHBondContact O-CG2 3.36Å
152	R	62.2	Low	84.1	Confident	233 Å²	233	86.9 Å²	86.9	88%	0.879	44%	0.439	S	S	*	.	S	Bend	trans	-80.4	-24.9	176.4	-62.5	-175.7	-170.7	-169.1	3.5	112.7	V154	R152-V154 PolarHBondContact O-N 3.42Å
153	D	69.4	Low	83.6	Confident	161 Å²	161	87.7 Å²	87.7	86%	0.861	45%	0.446	S	S	*	.			trans	-88.3	30.2	-177.1	-53.7	-38.3	0	0	0	113.4
154	V	75.4	Confident	83.2	Confident	16 Å²	16	91.2 Å²	91.2	10%	0.097	46%	0.459	C	S	.	.	S	Bend	trans	-86.5	125.4	176	-176	0	0	0	0	108.2	P148 K151 R152 S156 P168 L346	P148-V154 HydrophobicContact CG-CG2 3.89Å; K151-V154 HydrophobicContact CB-CG2 3.67Å; K151-V154 WeakPolarHBondContact O-CG2 3.36Å; R152-V154 PolarHBondContact O-N 3.42Å; V154-S156 PolarHBondContact O-N 2.1Å; V154-S156 VanDerWaalsContact O-N 3.09Å; V154-P168 HydrophobicContact CG1-CB 4.33Å; V154-P168 HydrophobicContact CG1-CG 3.7Å; V154-L346 HydrophobicContact CG1-CD2 4.18Å
155	P	79.1	Confident	82.7	Confident	60 Å²	60	92.2 Å²	92.2	39%	0.39	46%	0.464	S	S	.	.			trans	-56.9	121.9	176.2	20.8	-29.6	0	0	0	108.6	P168 P169 M347	P155-P168 WeakPolarHBondContact O-CA 3.38Å; P155-P169 WeakPolarHBondContact O-CD 3.4Å; P155-M347 HydrophobicContact CG-CG 3.82Å; P155-M347 HydrophobicContact CG-SD 4.25Å
156	S	80.8	Confident	82.4	Confident	64 Å²	64	94.2 Å²	94.2	45%	0.448	48%	0.477	S	S	.	.			trans	-126.2	140.4	-173.2	69.4	0	0	0	0	111.4	V154 K167	V154-S156 PolarHBondContact O-N 2.1Å; V154-S156 VanDerWaalsContact O-N 3.09Å; S156-K167 WeakPolarHBondContact CA-O 3.4Å
157	V	83.4	Confident	82.2	Confident	90 Å²	90	92.2 Å²	92.2	55%	0.545	47%	0.467	S	S	.	.	S	Bend	trans	-100.5	-18.9	177.3	-63.7	0	0	0	0	112	K167 P169	V157-K167 WeakPolarHBondContact CG2-O 3.33Å; V157-K167 PolarHBondContact N-O 3.2Å; V157-P169 HydrophobicContact CG1-CB 4.2Å; V157-P169 HydrophobicContact CG1-CG 3.9Å
158	S	88	Confident	82.2	Confident	54 Å²	54	91.4 Å²	91.4	38%	0.378	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	178.6	176.4	46.3	0	0	0	0	110.1	K167	S158-K167 WeakPolarHBondContact O-CA 3.3Å; S158-K167 WeakPolarHBondContact O-CB 3.41Å; S158-K167 PolarHBondContact O-N 3.35Å; S158-K167 WeakPolarHBondContact OG-CD 3.46Å
159	I	87.6	Confident	82.5	Confident	99 Å²	99	89.7 Å²	89.7	51%	0.508	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135.8	171.9	-58.5	-56.8	0	0	0	109.5	K161 P166	I159-K161 PolarHBondContact O-N 3.32Å; I159-P166 HydrophobicContact CD1-CB 4.2Å; I159-P166 HydrophobicContact CD1-CG 4.23Å
160	C	90.1	Very high	83.4	Confident	10 Å²	10	82.3 Å²	82.3	7%	0.068	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	117.4	169.5	-179.4	0	0	0	0	110.1	K162 C163 I164 T165 C180	C160-K162 PolarHBondContact O-N 3.11Å; C160-C163 HydrophobicContact CB-CB 4.06Å; C160-C163 PolarHBondContact SG-N 3.34Å; C160-I164 VanDerWaalsContact O-CA 3.26Å; C160-I164 WeakPolarHBondContact O-CA 3.41Å; C160-I164 PolarHBondContact O-N 3Å; C160-T165 PolarHBondContact N-O 3.23Å; C160-C180 VanDerWaalsContact CB-SG 3.59Å
161	K	88.9	Confident	84.5	Confident	192 Å²	192	74.9 Å²	74.9	84%	0.835	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.7	178.8	-61.4	-178.8	-178.2	178.6	0	114.2	I159 I164	I159-K161 PolarHBondContact O-N 3.32Å; K161-I164 WeakPolarHBondContact O-CD1 3.38Å
162	K	87.9	Confident	85.9	Confident	133 Å²	133	69.5 Å²	69.5	58%	0.578	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-43.4	-179	-69	-176.8	174.3	-172.6	0	112.3	C160 H173	C160-K162 PolarHBondContact O-N 3.11Å; K162-H173 VanDerWaalsContact CD-NE2 3.27Å; K162-H173 WeakPolarHBondContact CD-NE2 3.49Å
163	C	88.7	Confident	87.4	Confident	41 Å²	41	60.7 Å²	60.7	28%	0.277	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-19.8	179.4	-61.9	0	0	0	0	113.4	C160 T165 H173	C160-C163 HydrophobicContact CB-CB 4.06Å; C160-C163 PolarHBondContact SG-N 3.34Å; C163-T165 HydrophobicContact CB-CG2 4.32Å; C163-T165 WeakPolarHBondContact CB-OG1 3.19Å; C163-T165 PolarHBondContact O-N 2.98Å; C163-H173 VanDerWaalsContact SG-CE1 3.53Å; C163-H173 PolarHBondContact SG-ND1 2.96Å
164	I	88.8	Confident	88.7	Confident	131 Å²	131	53.3 Å²	53.3	67%	0.672	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	41.6	-172.8	-44.9	-61.1	0	0	0	111.3	C160 K161	C160-I164 VanDerWaalsContact O-CA 3.26Å; C160-I164 WeakPolarHBondContact O-CA 3.41Å; C160-I164 PolarHBondContact O-N 3Å; K161-I164 WeakPolarHBondContact O-CD1 3.38Å
165	T	85	Confident	89.4	Confident	25 Å²	25	54.4 Å²	54.4	15%	0.153	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	148.8	178.9	56.6	0	0	0	0	111	C160 C163 K167	C160-T165 PolarHBondContact N-O 3.23Å; C163-T165 HydrophobicContact CB-CG2 4.32Å; C163-T165 WeakPolarHBondContact CB-OG1 3.19Å; C163-T165 PolarHBondContact O-N 2.98Å; T165-K167 PolarHBondContact O-N 3.13Å
166	P	88.1	Confident	90	Very high	45 Å²	45	53 Å²	53	29%	0.292	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	135.7	168.4	-22	32.8	0	0	0	110.9	I159 P168	I159-P166 HydrophobicContact CD1-CB 4.2Å; I159-P166 HydrophobicContact CD1-CG 4.23Å; P166-P168 WeakPolarHBondContact O-CD 3.39Å
167	K	89.9	Confident	90.6	Very high	35 Å²	35	51.8 Å²	51.8	15%	0.152	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	108.6	-176.2	-171.9	-170.8	176.1	-165.1	0	108.9	S156 V157 S158 T165 T171 H172	S156-K167 WeakPolarHBondContact CA-O 3.4Å; V157-K167 WeakPolarHBondContact CG2-O 3.33Å; V157-K167 PolarHBondContact N-O 3.2Å; S158-K167 WeakPolarHBondContact O-CA 3.3Å; S158-K167 WeakPolarHBondContact O-CB 3.41Å; S158-K167 PolarHBondContact O-N 3.35Å; S158-K167 WeakPolarHBondContact OG-CD 3.46Å; T165-K167 PolarHBondContact O-N 3.13Å; K167-T171 WeakPolarHBondContact CE-O 3.34Å; K167-T171 HydrophobicContact CG-CG2 4.05Å; K167-T171 PolarHBondContact NZ-O 3.36Å; K167-H172 PolarHBondContact NZ-CE1 3.13Å; K167-H172 PolarHBondContact NZ-ND1 3.43Å; K167-H172 VanDerWaalsContact NZ-ND1 3.18Å
168	P	92.4	Very high	91.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.277	C	S	.	.			trans	-59.8	159.7	173.6	-18.5	29	0	0	0	111.9	P147 V154 P155 P166 T171 L182 L346	P147-P168 HydrophobicContact CB-CG 3.98Å; V154-P168 HydrophobicContact CG1-CB 4.33Å; V154-P168 HydrophobicContact CG1-CG 3.7Å; P155-P168 WeakPolarHBondContact O-CA 3.38Å; P166-P168 WeakPolarHBondContact O-CD 3.39Å; P168-T171 VanDerWaalsContact O-CB 3.25Å; P168-T171 WeakPolarHBondContact O-CB 3.48Å; P168-T171 PolarHBondContact O-N 2.83Å; P168-T171 PolarHBondContact O-OG1 2.96Å; P168-L182 HydrophobicContact CG-CD2 4.12Å; P168-L346 HydrophobicContact CB-CD2 4.25Å; P168-L346 HydrophobicContact CG-CD2 3.73Å
169	P	92.2	Very high	91.3	Very high	14 Å²	14	51.7 Å²	51.7	9%	0.091	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	144.6	170.3	-19.7	27.2	0	0	0	111.5	P155 V157 T171 L346 W348	P155-P169 WeakPolarHBondContact O-CD 3.4Å; V157-P169 HydrophobicContact CG1-CB 4.2Å; V157-P169 HydrophobicContact CG1-CG 3.9Å; P169-T171 PolarHBondContact O-N 3.31Å; P169-L346 WeakPolarHBondContact CD-O 3.16Å; P169-W348 PolarHBondContact O-NE1 3.11Å
170	R	94.1	Very high	91.7	Very high	24 Å²	24	47.2 Å²	47.2	9%	0.091	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	0.1	178.7	-45.6	-174.5	68.5	164.1	12.2	116.1	K183 M184 G282 E287 Y309 W348	R170-K183 HydrophobicContact CB-CG 4.45Å; R170-K183 CarbonylContact O-C 3.54Å; R170-K183 WeakPolarHBondContact O-CA 3.49Å; R170-K183 PolarHBondContact O-N 2.99Å; R170-M184 PolarHBondContact O-N 2.71Å; R170-G282 PolarHBondContact NH2-O 3.44Å; R170-E287 WeakPolarHBondContact CB-OE1 3.13Å; R170-E287 WeakPolarHBondContact CD-OE1 3.24Å; R170-E287 WeakPolarHBondContact CG-OE1 3.34Å; R170-E287 IonicContact CZ-OE1 3.49Å; R170-E287 IonicContact CZ-OE2 3.78Å; R170-E287 IonicContact NE-OE1 3.47Å; R170-E287 PolarHBondContact NE-OE1 3.33Å; R170-E287 IonicContact NE-OE2 3.94Å; R170-E287 PolarHBondContact NE-OE2 3.3Å; R170-E287 IonicContact NH2-OE1 2.68Å; R170-E287 PolarHBondContact NH2-OE1 3.03Å; R170-E287 IonicContact NH2-OE2 3.19Å; R170-E287 PolarHBondContact NH2-OE2 3.24Å; R170-Y309 HydrophobicContact CG-CD2 4.36Å; R170-Y309 HydrophobicContact CG-CE1 4.37Å; R170-Y309 HydrophobicContact CG-CE2 3.78Å; R170-W348 HydrophobicContact CB-CZ2 4.48Å; R170-W348 HydrophobicContact CG-CD2 4.47Å
171	T	95.2	Very high	92.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.247	C	C	.	.			trans	-73.8	152.6	174	-61.8	0	0	0	0	109.4	P147 K167 P168 P169 C180 V181 L182	P147-T171 HydrophobicContact CG-CG2 4.44Å; K167-T171 WeakPolarHBondContact CE-O 3.34Å; K167-T171 HydrophobicContact CG-CG2 4.05Å; K167-T171 PolarHBondContact NZ-O 3.36Å; P168-T171 VanDerWaalsContact O-CB 3.25Å; P168-T171 WeakPolarHBondContact O-CB 3.48Å; P168-T171 PolarHBondContact O-N 2.83Å; P168-T171 PolarHBondContact O-OG1 2.96Å; P169-T171 PolarHBondContact O-N 3.31Å; T171-C180 HydrophobicContact CG2-CB 3.77Å; T171-V181 CarbonylContact C-O 3.59Å; T171-V181 VanDerWaalsContact CA-O 3.24Å; T171-V181 WeakPolarHBondContact CA-O 3.38Å; T171-V181 WeakPolarHBondContact CG2-O 3.49Å; T171-L182 HydrophobicContact CG2-CD2 4.46Å; T171-L182 WeakPolarHBondContact OG1-CD2 3.33Å
172	H	95.6	Very high	92.4	Very high	32 Å²	32	38 Å²	38	15%	0.148	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	154.6	165.9	-65.1	-90.6	0	0	0	111	K167 C180 V181 M184 V286	K167-H172 PolarHBondContact NZ-CE1 3.13Å; K167-H172 PolarHBondContact NZ-ND1 3.43Å; K167-H172 VanDerWaalsContact NZ-ND1 3.18Å; H172-C180 CarbonylContact O-C 3.6Å; H172-C180 WeakPolarHBondContact O-CA 3.09Å; H172-V181 PolarHBondContact N-O 3.45Å; H172-V181 PolarHBondContact O-N 3.37Å; H172-M184 HydrophobicContact CB-CB 3.86Å; H172-M184 HydrophobicContact CB-CG 4.26Å; H172-M184 HydrophobicContact CB-SD 3.64Å; H172-V286 WeakPolarHBondContact CE1-CG1 3.22Å; H172-V286 WeakPolarHBondContact NE2-CG1 3.44Å
173	H	95.2	Very high	92.9	Very high	49 Å²	49	33.2 Å²	33.2	23%	0.227	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	125.1	175.4	-178.6	95	0	0	0	109.6	K162 C163	K162-H173 VanDerWaalsContact CD-NE2 3.27Å; K162-H173 WeakPolarHBondContact CD-NE2 3.49Å; C163-H173 VanDerWaalsContact SG-CE1 3.53Å; C163-H173 PolarHBondContact SG-ND1 2.96Å
174	C	95.4	Very high	93.3	Very high	6 Å²	6	32 Å²	32	4%	0.041	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	122	169.3	179	0	0	0	0	109	C177 S178 L179 M184 C194	C174-C177 HydrophobicContact CB-CB 3.92Å; C174-C177 PolarHBondContact SG-N 2.74Å; C174-S178 VanDerWaalsContact O-CA 3.29Å; C174-S178 WeakPolarHBondContact O-CA 3.41Å; C174-S178 PolarHBondContact O-N 3.01Å; C174-L179 PolarHBondContact N-O 3.16Å; C174-L179 PolarHBondContact O-N 3.46Å; C174-M184 HydrophobicContact CB-CE 3.58Å; C174-M184 HydrophobicContact CB-SD 3.99Å; C174-C194 VanDerWaalsContact CB-SG 3.52Å; C174-C194 PolarHBondContact SG-SG 3.3Å
175	S	92	Very high	93.7	Very high	38 Å²	38	25.8 Å²	25.8	27%	0.266	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-38.7	177.6	54.5	0	0	0	0	112.4	D76 S178	D76-S175 PolarHBondContact OD1-OG 2.99Å; D76-S175 WeakPolarHBondContact OD2-CB 3.08Å; D76-S175 PolarHBondContact OD2-OG 2.77Å; S175-S178 PolarHBondContact O-N 3.4Å; S175-S178 VanDerWaalsContact O-N 3.13Å; S175-S178 PolarHBondContact O-OG 3.42Å
176	I	91.7	Very high	94.3	Very high	30 Å²	30	26.8 Å²	26.8	15%	0.154	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-49.9	178	-54.7	164.7	0	0	0	111.2	D76 T79 R80 S178 H187	D76-I176 HydrophobicContact CB-CG1 4.17Å; D76-I176 WeakPolarHBondContact OD1-CG1 3.5Å; T79-I176 HydrophobicContact CG2-CD1 3.84Å; R80-I176 HydrophobicContact CB-CG2 4.31Å; I176-S178 PolarHBondContact O-N 2.92Å; I176-H187 HydrophobicContact CD1-CB 3.99Å; I176-H187 WeakPolarHBondContact CD1-CD2 3.39Å
177	C	93	Very high	94.7	Very high	39 Å²	39	26 Å²	26	26%	0.264	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-18.3	175.1	-61.2	0	0	0	0	111.5	C174 L179 H187 C194	C174-C177 HydrophobicContact CB-CB 3.92Å; C174-C177 PolarHBondContact SG-N 2.74Å; C177-L179 VanDerWaalsContact C-N 3.28Å; C177-L179 HydrophobicContact CB-CD1 3.79Å; C177-L179 HydrophobicContact CB-CD2 4.48Å; C177-L179 HydrophobicContact CB-CG 3.84Å; C177-L179 WeakPolarHBondContact O-CG 2.85Å; C177-L179 PolarHBondContact O-N 3.46Å; C177-H187 PolarHBondContact SG-ND1 3.32Å; C177-C194 WeakPolarHBondContact CB-SG 3.46Å; C177-C194 WeakPolarHBondContact SG-CB 3.29Å; C177-C194 CovalentContact SG-SG 2.1Å; C177-C194 PolarHBondContact SG-SG 3.41Å
178	S	92.6	Very high	95	Very high	89 Å²	89	24.8 Å²	24.8	62%	0.622	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	35.6	-175.5	-68.9	0	0	0	0	114.4	C174 S175 I176	C174-S178 VanDerWaalsContact O-CA 3.29Å; C174-S178 WeakPolarHBondContact O-CA 3.41Å; C174-S178 PolarHBondContact O-N 3.01Å; S175-S178 PolarHBondContact O-N 3.4Å; S175-S178 VanDerWaalsContact O-N 3.13Å; S175-S178 PolarHBondContact O-OG 3.42Å; I176-S178 PolarHBondContact O-N 2.92Å
179	L	93.7	Very high	95.1	Very high	53 Å²	53	26.3 Å²	26.3	28%	0.277	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	162.2	-177.1	53.8	68.1	0	0	0	112.1	H146 C174 C177 V181	H146-L179 VanDerWaalsContact CD2-CD1 3.43Å; H146-L179 WeakPolarHBondContact CD2-CD1 3.45Å; H146-L179 WeakPolarHBondContact NE2-CD1 3.45Å; H146-L179 VanDerWaalsContact NE2-CD2 3.35Å; H146-L179 WeakPolarHBondContact NE2-CD2 3.01Å; C174-L179 PolarHBondContact N-O 3.16Å; C174-L179 PolarHBondContact O-N 3.46Å; C177-L179 VanDerWaalsContact C-N 3.28Å; C177-L179 HydrophobicContact CB-CD1 3.79Å; C177-L179 HydrophobicContact CB-CD2 4.48Å; C177-L179 HydrophobicContact CB-CG 3.84Å; C177-L179 WeakPolarHBondContact O-CG 2.85Å; C177-L179 PolarHBondContact O-N 3.46Å; L179-V181 HydrophobicContact CD1-CG2 3.34Å
180	C	95.7	Very high	95.3	Very high	6 Å²	6	31.2 Å²	31.2	4%	0.041	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	131.2	171.1	-72.2	0	0	0	0	110.8	H146 P147 C160 T171 H172	H146-C180 PolarHBondContact CD2-O 2.86Å; P147-C180 WeakPolarHBondContact CD-O 2.99Å; P147-C180 HydrophobicContact CG-CB 3.71Å; C160-C180 VanDerWaalsContact CB-SG 3.59Å; T171-C180 HydrophobicContact CG2-CB 3.77Å; H172-C180 CarbonylContact O-C 3.6Å; H172-C180 WeakPolarHBondContact O-CA 3.09Å
181	V	97.5	Very high	95.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.1	179.8	177.2	0	0	0	0	109.4	P144 G145 T171 H172 L179 M184 C194	P144-V181 HydrophobicContact CB-CG1 3.71Å; P144-V181 HydrophobicContact CG-CG1 4.13Å; P144-V181 HydrophobicContact CG-CG2 4.25Å; G145-V181 WeakPolarHBondContact O-CA 3.41Å; T171-V181 CarbonylContact C-O 3.59Å; T171-V181 VanDerWaalsContact CA-O 3.24Å; T171-V181 WeakPolarHBondContact CA-O 3.38Å; T171-V181 WeakPolarHBondContact CG2-O 3.49Å; H172-V181 PolarHBondContact N-O 3.45Å; H172-V181 PolarHBondContact O-N 3.37Å; L179-V181 HydrophobicContact CD1-CG2 3.34Å; V181-M184 HydrophobicContact CB-CB 3.92Å; V181-M184 HydrophobicContact CB-CG 4.03Å; V181-M184 HydrophobicContact CB-SD 4.26Å; V181-M184 HydrophobicContact CG1-CB 4.01Å; V181-M184 HydrophobicContact CG1-CG 4.22Å; V181-C194 HydrophobicContact CG2-CB 3.9Å
182	L	96.7	Very high	95.5	Very high	8 Å²	8	33.4 Å²	33.4	4%	0.042	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	138.3	175.8	-61	179.3	0	0	0	110.1	G145 P147 P168 T171 M184 G196 H197 L346	G145-L182 PolarHBondContact O-N 3.44Å; P147-L182 HydrophobicContact CB-CD2 4.1Å; P168-L182 HydrophobicContact CG-CD2 4.12Å; T171-L182 HydrophobicContact CG2-CD2 4.46Å; T171-L182 WeakPolarHBondContact OG1-CD2 3.33Å; L182-M184 PolarHBondContact O-N 3.42Å; L182-M184 VanDerWaalsContact O-N 3.12Å; L182-G196 CarbonylContact O-C 3.43Å; L182-G196 WeakPolarHBondContact O-CA 3.39Å; L182-H197 HydrophobicContact CB-CB 3.92Å; L182-H197 PolarHBondContact O-N 3.44Å; L182-L346 HydrophobicContact CD1-CD2 4.14Å; L182-L346 HydrophobicContact CD2-CD2 3.76Å
183	K	96.8	Very high	95.5	Very high	32 Å²	32	33 Å²	33	14%	0.139	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.3	44.4	-177.5	-156.5	-158.1	-169	168	0	112.8	R170 D185 H197 T284 W348	R170-K183 HydrophobicContact CB-CG 4.45Å; R170-K183 CarbonylContact O-C 3.54Å; R170-K183 WeakPolarHBondContact O-CA 3.49Å; R170-K183 PolarHBondContact O-N 2.99Å; K183-D185 PolarHBondContact O-N 3.02Å; K183-H197 HydrophobicContact CB-CB 3.83Å; K183-T284 HydrophobicContact CG-CG2 3.99Å; K183-W348 HydrophobicContact CB-CH2 3.9Å; K183-W348 HydrophobicContact CB-CZ2 3.78Å; K183-W348 HydrophobicContact CD-CH2 3.59Å; K183-W348 HydrophobicContact CD-CZ2 4.3Å; K183-W348 HydrophobicContact CD-CZ3 4.25Å; K183-W348 HydrophobicContact CG-CH2 3.74Å; K183-W348 HydrophobicContact CG-CZ2 3.94Å
184	M	97.8	Very high	95.7	Very high	16 Å²	16	30.6 Å²	30.6	8%	0.079	17%	0.166	C	C	.	.			trans	-60.8	129.3	-172.8	-174.8	177.1	167.9	0	0	110.6	R170 H172 C174 V181 L182 T284	R170-M184 PolarHBondContact O-N 2.71Å; H172-M184 HydrophobicContact CB-CB 3.86Å; H172-M184 HydrophobicContact CB-CG 4.26Å; H172-M184 HydrophobicContact CB-SD 3.64Å; C174-M184 HydrophobicContact CB-CE 3.58Å; C174-M184 HydrophobicContact CB-SD 3.99Å; V181-M184 HydrophobicContact CB-CB 3.92Å; V181-M184 HydrophobicContact CB-CG 4.03Å; V181-M184 HydrophobicContact CB-SD 4.26Å; V181-M184 HydrophobicContact CG1-CB 4.01Å; V181-M184 HydrophobicContact CG1-CG 4.22Å; L182-M184 PolarHBondContact O-N 3.42Å; L182-M184 VanDerWaalsContact O-N 3.12Å; M184-T284 PolarHBondContact O-OG1 2.99Å
185	D	98.1	Very high	95.8	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.164	C	C	.	.			trans	-98.3	-61.4	171.3	-165	85.3	0	0	0	111	K183 V195 H200 H275 T284 S285 V286	K183-D185 PolarHBondContact O-N 3.02Å; D185-V195 HydrophobicContact CB-CB 4.39Å; D185-V195 HydrophobicContact CB-CG1 4.19Å; D185-V195 PolarHBondContact N-O 3.07Å; D185-H200 IonicContact OD1-CE1 3.6Å; D185-H200 PolarHBondContact OD1-CE1 3.11Å; D185-H200 IonicContact OD1-NE2 3.44Å; D185-H275 IonicContact OD2-CE1 3.27Å; D185-H275 PolarHBondContact OD2-CE1 3.21Å; D185-H275 VanDerWaalsContact OD2-CE1 3.27Å; D185-H275 IonicContact OD2-ND1 3.43Å; D185-T284 VanDerWaalsContact OD1-CA 3.22Å; D185-T284 WeakPolarHBondContact OD1-CA 3.36Å; D185-T284 WeakPolarHBondContact OD1-CB 3.27Å; D185-S285 PolarHBondContact OD1-N 3.32Å; D185-S285 PolarHBondContact OD1-OG 2.99Å; D185-S285 WeakPolarHBondContact OD2-CB 3.19Å; D185-S285 PolarHBondContact OD2-OG 3.38Å; D185-V286 WeakPolarHBondContact O-CG2 3.22Å
186	H	97.3	Very high	96.1	Very high	46 Å²	46	28.5 Å²	28.5	21%	0.213	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	169.3	176.4	62.7	-79.6	0	0	0	110.9	V195 F203 H275	H186-V195 PolarHBondContact O-N 2.92Å; H186-F203 AromaticContact CE1-CE1 3.67Å; H186-F203 AromaticContact CE1-CZ 3.56Å; H186-F203 AromaticContact NE2-CZ 3.82Å; H186-H275 AromaticContact CE1-CE1 3.85Å
187	H	96.4	Very high	96.4	Very high	29 Å²	29	27.5 Å²	27.5	13%	0.134	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.5	163.1	-179.2	86.4	0	0	0	109.1	I176 C177 C194	I176-H187 HydrophobicContact CD1-CB 3.99Å; I176-H187 WeakPolarHBondContact CD1-CD2 3.39Å; C177-H187 PolarHBondContact SG-ND1 3.32Å; H187-C194 PolarHBondContact ND1-SG 3.4Å; H187-C194 VanDerWaalsContact ND1-SG 3.42Å
188	C	96.4	Very high	96.6	Very high	9 Å²	9	28.7 Å²	28.7	6%	0.061	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	108.7	-176.8	-167.4	0	0	0	0	110.5	W190 L191 N192 N193 V195	C188-W190 PolarHBondContact O-N 2.85Å; C188-L191 HydrophobicContact CB-CB 4.2Å; C188-L191 HydrophobicContact CB-CD1 4.13Å; C188-L191 HydrophobicContact CB-CG 4.07Å; C188-L191 PolarHBondContact O-N 3.48Å; C188-L191 VanDerWaalsContact O-N 3.1Å; C188-N192 PolarHBondContact O-N 2.99Å; C188-N193 PolarHBondContact N-O 2.9Å; C188-N193 PolarHBondContact O-N 2.98Å; C188-V195 HydrophobicContact CB-CG2 4.04Å
189	P	94.4	Very high	96.8	Very high	31 Å²	31	24.5 Å²	24.5	20%	0.201	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-59.6	-33.9	176.3	-24.6	34.8	0	0	0	112.7	T79 G83 F86 L191 N192	T79-P189 HydrophobicContact CG2-CG 3.92Å; G83-P189 WeakPolarHBondContact CA-O 3.32Å; F86-P189 HydrophobicContact CD2-CB 3.67Å; F86-P189 HydrophobicContact CE2-CB 4.08Å; P189-L191 PolarHBondContact O-N 2.87Å; P189-N192 PolarHBondContact O-N 2.89Å
190	W	95.9	Very high	97	Very high	118 Å²	118	22.3 Å²	22.3	45%	0.447	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-65	-17.2	177.8	-58.5	100.4	0	0	0	114.8	F86 L89 V90 Y136 C188	F86-W190 HydrophobicContact CB-CD2 4.3Å; F86-W190 HydrophobicContact CB-CE3 3.91Å; F86-W190 HydrophobicContact CB-CZ3 4.4Å; F86-W190 HydrophobicContact CD1-CD2 4.14Å; F86-W190 AromaticContact CD1-CE3 3.79Å; F86-W190 HydrophobicContact CD1-CE3 3.79Å; F86-W190 AromaticContact CD1-CH2 3.66Å; F86-W190 HydrophobicContact CD1-CH2 3.66Å; F86-W190 AromaticContact CD1-CZ2 3.99Å; F86-W190 HydrophobicContact CD1-CZ2 3.99Å; F86-W190 AromaticContact CD1-CZ3 3.55Å; F86-W190 HydrophobicContact CD1-CZ3 3.55Å; F86-W190 AromaticContact CE1-CH2 3.9Å; F86-W190 HydrophobicContact CE1-CH2 3.9Å; F86-W190 HydrophobicContact CE1-CZ2 4.02Å; F86-W190 HydrophobicContact CE1-CZ3 4.27Å; F86-W190 HydrophobicContact CG-CD2 4.37Å; F86-W190 HydrophobicContact CG-CE3 4.17Å; F86-W190 HydrophobicContact CG-CZ3 4.37Å; L89-W190 HydrophobicContact CD2-CH2 4.38Å; L89-W190 HydrophobicContact CD2-CZ3 4.05Å; V90-W190 HydrophobicContact CG2-CE3 3.59Å; V90-W190 HydrophobicContact CG2-CZ3 4.12Å; Y136-W190 PolarHBondContact OH-O 3.36Å; C188-W190 PolarHBondContact O-N 2.85Å
191	L	96.8	Very high	97.1	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.016	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-104.6	-9.9	173	-61.3	-177	0	0	0	112.8	Y136 A139 T140 C188 P189 N193 V195 F203	Y136-L191 HydrophobicContact CD2-CD2 3.99Å; Y136-L191 HydrophobicContact CE2-CD2 3.72Å; A139-L191 HydrophobicContact CB-CD1 3.82Å; A139-L191 HydrophobicContact CB-CD2 3.77Å; A139-L191 HydrophobicContact CB-CG 4.44Å; T140-L191 HydrophobicContact CG2-CB 4.3Å; T140-L191 HydrophobicContact CG2-CD2 3.91Å; C188-L191 HydrophobicContact CB-CB 4.2Å; C188-L191 HydrophobicContact CB-CD1 4.13Å; C188-L191 HydrophobicContact CB-CG 4.07Å; C188-L191 PolarHBondContact O-N 3.48Å; C188-L191 VanDerWaalsContact O-N 3.1Å; P189-L191 PolarHBondContact O-N 2.87Å; L191-N193 HydrophobicContact CB-CB 4.04Å; L191-N193 PolarHBondContact O-N 3.48Å; L191-N193 VanDerWaalsContact O-N 3.13Å; L191-V195 HydrophobicContact CD1-CG2 3.91Å; L191-F203 HydrophobicContact CD1-CB 4.29Å; L191-F203 HydrophobicContact CD1-CD2 3.81Å; L191-F203 HydrophobicContact CD1-CG 4.44Å
192	N	95.9	Very high	97.2	Very high	67 Å²	67	22.6 Å²	22.6	36%	0.358	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.4	36.6	-162.2	-166.3	28.8	0	0	0	112.3	V87 C188 P189	V87-N192 HydrophobicContact CG2-CB 3.7Å; C188-N192 PolarHBondContact O-N 2.99Å; P189-N192 PolarHBondContact O-N 2.89Å
193	N	97	Very high	97.3	Very high	22 Å²	22	22.4 Å²	22.4	12%	0.118	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	152.1	-172.3	-163.4	5.3	0	0	0	110.5	A139 T140 T142 C188 L191 N199	A139-N193 PolarHBondContact O-ND2 3.41Å; A139-N193 VanDerWaalsContact O-ND2 3.17Å; T140-N193 PolarHBondContact O-ND2 3Å; T142-N193 PolarHBondContact O-ND2 2.93Å; C188-N193 PolarHBondContact N-O 2.9Å; C188-N193 PolarHBondContact O-N 2.98Å; L191-N193 HydrophobicContact CB-CB 4.04Å; L191-N193 PolarHBondContact O-N 3.48Å; L191-N193 VanDerWaalsContact O-N 3.13Å; N193-N199 PolarHBondContact ND2-ND2 3.48Å
194	C	97.8	Very high	97.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	145.9	168.9	-81	0	0	0	0	109.5	P144 C174 C177 V181 H187 N199	P144-C194 HydrophobicContact CB-CB 4.15Å; P144-C194 WeakPolarHBondContact CB-O 3.25Å; P144-C194 HydrophobicContact CG-CB 3.95Å; C174-C194 VanDerWaalsContact CB-SG 3.52Å; C174-C194 PolarHBondContact SG-SG 3.3Å; C177-C194 WeakPolarHBondContact CB-SG 3.46Å; C177-C194 WeakPolarHBondContact SG-CB 3.29Å; C177-C194 CovalentContact SG-SG 2.1Å; C177-C194 PolarHBondContact SG-SG 3.41Å; V181-C194 HydrophobicContact CG2-CB 3.9Å; H187-C194 PolarHBondContact ND1-SG 3.4Å; H187-C194 VanDerWaalsContact ND1-SG 3.42Å; C194-N199 PolarHBondContact O-ND2 3.3Å
195	V	98.5	Very high	97.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	117.6	171.8	-177.2	0	0	0	0	108.1	D185 H186 C188 L191 N199 H200 F203	D185-V195 HydrophobicContact CB-CB 4.39Å; D185-V195 HydrophobicContact CB-CG1 4.19Å; D185-V195 PolarHBondContact N-O 3.07Å; H186-V195 PolarHBondContact O-N 2.92Å; C188-V195 HydrophobicContact CB-CG2 4.04Å; L191-V195 HydrophobicContact CD1-CG2 3.91Å; V195-N199 WeakPolarHBondContact CA-OD1 3.45Å; V195-H200 HydrophobicContact CG1-CB 4.16Å; V195-F203 HydrophobicContact CG1-CB 4.02Å; V195-F203 HydrophobicContact CG1-CD1 4.04Å; V195-F203 HydrophobicContact CG1-CG 4.12Å; V195-F203 HydrophobicContact CG2-CB 4.19Å; V195-F203 HydrophobicContact CG2-CD1 4.43Å; V195-F203 HydrophobicContact CG2-CD2 4.15Å; V195-F203 HydrophobicContact CG2-CG 3.97Å
196	G	97.9	Very high	97.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.			trans	-148.7	-167.5	-174.5	0	0	0	0	0	112.4	P144 L182 L198 N199 H200	P144-G196 CarbonylContact O-C 3.43Å; P144-G196 VanDerWaalsContact O-C 3.3Å; L182-G196 CarbonylContact O-C 3.43Å; L182-G196 WeakPolarHBondContact O-CA 3.39Å; G196-L198 VanDerWaalsContact C-N 3.3Å; G196-L198 PolarHBondContact O-N 3.27Å; G196-L198 VanDerWaalsContact O-N 3.12Å; G196-N199 PolarHBondContact N-OD1 2.93Å; G196-N199 PolarHBondContact O-N 3.34Å; G196-N199 PolarHBondContact O-OD1 2.82Å; G196-H200 VanDerWaalsContact O-CB 3.26Å; G196-H200 WeakPolarHBondContact O-CB 3.26Å; G196-H200 PolarHBondContact O-N 2.99Å
197	H	97.4	Very high	97.5	Very high	9 Å²	9	19.1 Å²	19.1	4%	0.042	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.4	-49.8	-171.3	-175.3	50.6	0	0	0	114	P144 L182 K183 P341 S342 G343 G345 W348	P144-H197 PolarHBondContact O-N 3.24Å; L182-H197 HydrophobicContact CB-CB 3.92Å; L182-H197 PolarHBondContact O-N 3.44Å; K183-H197 HydrophobicContact CB-CB 3.83Å; H197-P341 WeakPolarHBondContact O-CG 3.36Å; H197-S342 PolarHBondContact CE1-O 3.16Å; H197-G343 PolarHBondContact NE2-O 3.46Å; H197-G345 PolarHBondContact NE2-N 2.82Å; H197-W348 AromaticContact CE1-CH2 3.72Å; H197-W348 AromaticContact ND1-CH2 3.44Å; H197-W348 WeakPolarHBondContact ND1-CH2 3.28Å
198	L	97.3	Very high	97.6	Very high	64 Å²	64	20 Å²	20	34%	0.335	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-20.3	-170.2	-62	-177.1	0	0	0	114.5	T142 S143 P144 G196 P341	T142-L198 HydrophobicContact CG2-CB 4.4Å; S143-L198 VanDerWaalsContact O-CB 3.27Å; S143-L198 WeakPolarHBondContact O-CB 3.49Å; P144-L198 PolarHBondContact O-N 3.31Å; P144-L198 VanDerWaalsContact O-N 3.13Å; G196-L198 VanDerWaalsContact C-N 3.3Å; G196-L198 PolarHBondContact O-N 3.27Å; G196-L198 VanDerWaalsContact O-N 3.12Å; L198-P341 HydrophobicContact CD2-CG 3.84Å
199	N	98.1	Very high	97.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-4.4	-175.8	73.6	-14.4	0	0	0	115.3	A139 T142 N193 C194 V195 G196 R201 Y202 F203	A139-N199 PolarHBondContact O-ND2 2.87Å; T142-N199 HydrophobicContact CG2-CB 4.17Å; T142-N199 PolarHBondContact O-ND2 2.85Å; N193-N199 PolarHBondContact ND2-ND2 3.48Å; C194-N199 PolarHBondContact O-ND2 3.3Å; V195-N199 WeakPolarHBondContact CA-OD1 3.45Å; G196-N199 PolarHBondContact N-OD1 2.93Å; G196-N199 PolarHBondContact O-N 3.34Å; G196-N199 PolarHBondContact O-OD1 2.82Å; N199-R201 VanDerWaalsContact C-N 3.27Å; N199-R201 PolarHBondContact O-N 3.32Å; N199-Y202 HydrophobicContact CB-CD2 4.22Å; N199-Y202 PolarHBondContact O-N 3.39Å; N199-F203 PolarHBondContact O-N 3.46Å; N199-F203 VanDerWaalsContact O-N 3.1Å
200	H	98.1	Very high	97.9	Very high	7 Å²	7	19.8 Å²	19.8	3%	0.032	9%	0.093	C	C	.	.	H	α-helix	trans	-54.5	-41.9	-178.7	-158.3	160.8	0	0	0	112.5	D185 V195 G196 Y202 F203 F204 F320	D185-H200 IonicContact OD1-CE1 3.6Å; D185-H200 PolarHBondContact OD1-CE1 3.11Å; D185-H200 IonicContact OD1-NE2 3.44Å; V195-H200 HydrophobicContact CG1-CB 4.16Å; G196-H200 VanDerWaalsContact O-CB 3.26Å; G196-H200 WeakPolarHBondContact O-CB 3.26Å; G196-H200 PolarHBondContact O-N 2.99Å; H200-Y202 VanDerWaalsContact C-N 3.33Å; H200-Y202 PolarHBondContact O-N 3.26Å; H200-F203 PolarHBondContact O-N 2.87Å; H200-F204 PolarHBondContact O-N 3.08Å; H200-F320 HydrophobicContact CB-CE2 4.08Å; H200-F320 HydrophobicContact CB-CZ 4.48Å; H200-F320 AromaticContact CD2-CE2 3.67Å; H200-F320 AromaticContact CD2-CZ 3.85Å; H200-F320 AromaticContact CG-CE2 3.64Å
201	R	97.7	Very high	98	Very high	6 Å²	6	15 Å²	15	2%	0.023	8%	0.077	C	C	.	.	H	α-helix	trans	-62.9	-38.8	178.4	75	-174.4	-169.7	84.7	1.3	112.7	N199 F204 S205 F320 S337 S338 H339	N199-R201 VanDerWaalsContact C-N 3.27Å; N199-R201 PolarHBondContact O-N 3.32Å; R201-F204 PolarHBondContact O-N 3.35Å; R201-S205 WeakPolarHBondContact O-CB 3.37Å; R201-S205 PolarHBondContact O-N 3.37Å; R201-S205 PolarHBondContact O-OG 3.43Å; R201-S205 VanDerWaalsContact O-OG 3.14Å; R201-F320 HydrophobicContact CB-CE1 4.15Å; R201-F320 HydrophobicContact CB-CZ 4.32Å; R201-S337 PolarHBondContact NH1-O 3.39Å; R201-S337 PolarHBondContact NH2-O 2.89Å; R201-S338 VanDerWaalsContact NH2-C 3.32Å; R201-H339 VanDerWaalsContact CZ-O 3.22Å; R201-H339 PolarHBondContact NE-O 2.88Å; R201-H339 VanDerWaalsContact NE-O 3.17Å; R201-H339 PolarHBondContact NH1-CE1 3.35Å; R201-H339 VanDerWaalsContact NH2-N 3.14Å; R201-H339 PolarHBondContact NH2-ND1 2.94Å; R201-H339 PolarHBondContact NH2-O 2.73Å
202	Y	98.5	Very high	98.1	Very high	6 Å²	6	18.5 Å²	18.5	2%	0.024	10%	0.095	C	C	.	.	H	α-helix	trans	-68.9	-41.4	178.5	-56.5	-62.4	0	0	0	111.4	F134 H135 K138 T142 N199 H200 S205 F206 S337 S338	F134-Y202 HydrophobicContact CE1-CD1 4.48Å; F134-Y202 HydrophobicContact CE1-CE1 4.22Å; H135-Y202 AromaticContact CD2-CD1 3.97Å; K138-Y202 HydrophobicContact CB-CD1 3.46Å; K138-Y202 VanDerWaalsContact CB-CD1 3.46Å; K138-Y202 HydrophobicContact CB-CD2 3.77Å; K138-Y202 HydrophobicContact CB-CE1 3.79Å; K138-Y202 HydrophobicContact CB-CE2 4.13Å; K138-Y202 HydrophobicContact CB-CG 3.45Å; K138-Y202 VanDerWaalsContact CB-CG 3.45Å; K138-Y202 HydrophobicContact CD-CE1 4.49Å; K138-Y202 VanDerWaalsContact CE-OH 3.28Å; K138-Y202 WeakPolarHBondContact CE-OH 3.37Å; K138-Y202 HydrophobicContact CG-CD1 4.02Å; K138-Y202 HydrophobicContact CG-CE1 3.9Å; K138-Y202 HydrophobicContact CG-CG 4.45Å; T142-Y202 HydrophobicContact CG2-CE2 4.22Å; N199-Y202 HydrophobicContact CB-CD2 4.22Å; N199-Y202 PolarHBondContact O-N 3.39Å; H200-Y202 VanDerWaalsContact C-N 3.33Å; H200-Y202 PolarHBondContact O-N 3.26Å; Y202-S205 PolarHBondContact O-N 2.86Å; Y202-F206 VanDerWaalsContact O-CB 3.31Å; Y202-F206 WeakPolarHBondContact O-CB 3.4Å; Y202-F206 PolarHBondContact O-N 2.91Å; Y202-S337 WeakPolarHBondContact CE1-O 3.41Å; Y202-S338 WeakPolarHBondContact OH-CA 3.29Å; Y202-S338 PolarHBondContact OH-O 2.96Å
203	F	98.6	Very high	98.2	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.018	8%	0.084	C	C	.	.	H	α-helix	trans	-58.4	-50.9	174.2	165.6	-101.9	0	0	0	111.4	H186 L191 V195 N199 H200 S205 F206 C207 L271 H275	H186-F203 AromaticContact CE1-CE1 3.67Å; H186-F203 AromaticContact CE1-CZ 3.56Å; H186-F203 AromaticContact NE2-CZ 3.82Å; L191-F203 HydrophobicContact CD1-CB 4.29Å; L191-F203 HydrophobicContact CD1-CD2 3.81Å; L191-F203 HydrophobicContact CD1-CG 4.44Å; V195-F203 HydrophobicContact CG1-CB 4.02Å; V195-F203 HydrophobicContact CG1-CD1 4.04Å; V195-F203 HydrophobicContact CG1-CG 4.12Å; V195-F203 HydrophobicContact CG2-CB 4.19Å; V195-F203 HydrophobicContact CG2-CD1 4.43Å; V195-F203 HydrophobicContact CG2-CD2 4.15Å; V195-F203 HydrophobicContact CG2-CG 3.97Å; N199-F203 PolarHBondContact O-N 3.46Å; N199-F203 VanDerWaalsContact O-N 3.1Å; H200-F203 PolarHBondContact O-N 2.87Å; F203-S205 PolarHBondContact O-N 3.25Å; F203-F206 WeakPolarHBondContact O-CB 3.35Å; F203-F206 PolarHBondContact O-N 3.1Å; F203-C207 VanDerWaalsContact CE2-SG 3.59Å; F203-C207 PolarHBondContact O-N 3.25Å; F203-C207 PolarHBondContact O-SG 3.38Å; F203-C207 VanDerWaalsContact O-SG 3.33Å; F203-L271 HydrophobicContact CZ-CD2 4.27Å; F203-H275 AromaticContact CE1-CD2 3.8Å; F203-H275 AromaticContact CE1-CE1 3.64Å; F203-H275 AromaticContact CE1-ND1 3.95Å; F203-H275 AromaticContact CE1-NE2 3.55Å; F203-H275 AromaticContact CZ-NE2 3.81Å
204	F	98.6	Very high	98.3	Very high	6 Å²	6	15.1 Å²	15.1	3%	0.026	8%	0.081	C	C	.	.	H	α-helix	trans	-61.3	-47	179.7	177.6	-93.5	0	0	0	112	H200 R201 F206 C207 L208 T272 H275 A276 I279 W317 F320 F321	H200-F204 PolarHBondContact O-N 3.08Å; R201-F204 PolarHBondContact O-N 3.35Å; F204-F206 VanDerWaalsContact C-N 3.32Å; F204-F206 PolarHBondContact O-N 2.82Å; F204-C207 PolarHBondContact O-N 3.49Å; F204-L208 HydrophobicContact CE1-CB 4.37Å; F204-L208 HydrophobicContact CE1-CD2 4.14Å; F204-L208 WeakPolarHBondContact O-CB 3.45Å; F204-L208 PolarHBondContact O-N 3.18Å; F204-T272 HydrophobicContact CE2-CG2 4.12Å; F204-T272 HydrophobicContact CZ-CG2 4.27Å; F204-H275 HydrophobicContact CD2-CB 3.88Å; F204-H275 HydrophobicContact CE2-CB 4.23Å; F204-A276 HydrophobicContact CE2-CB 4.11Å; F204-A276 HydrophobicContact CZ-CB 4.33Å; F204-I279 HydrophobicContact CB-CD1 4.35Å; F204-I279 HydrophobicContact CD1-CD1 4.34Å; F204-I279 HydrophobicContact CD2-CD1 3.51Å; F204-I279 HydrophobicContact CE2-CD1 3.89Å; F204-I279 HydrophobicContact CG-CD1 3.77Å; F204-I279 HydrophobicContact CZ-CD1 4.47Å; F204-W317 HydrophobicContact CD1-CZ3 4.18Å; F204-W317 AromaticContact CE1-CH2 3.8Å; F204-W317 HydrophobicContact CE1-CH2 3.8Å; F204-W317 AromaticContact CE1-CZ3 3.57Å; F204-W317 HydrophobicContact CE1-CZ3 3.57Å; F204-W317 AromaticContact CE2-CH2 3.91Å; F204-W317 HydrophobicContact CE2-CH2 3.91Å; F204-W317 HydrophobicContact CE2-CZ3 4.37Å; F204-W317 AromaticContact CZ-CH2 3.38Å; F204-W317 HydrophobicContact CZ-CH2 3.38Å; F204-W317 AromaticContact CZ-CZ3 3.69Å; F204-W317 HydrophobicContact CZ-CZ3 3.69Å; F204-F320 HydrophobicContact CB-CE1 3.76Å; F204-F320 HydrophobicContact CB-CZ 3.63Å; F204-F320 AromaticContact CD1-CE1 3.97Å; F204-F320 HydrophobicContact CD1-CE1 3.97Å; F204-F320 AromaticContact CG-CE1 3.95Å; F204-F320 HydrophobicContact CG-CE1 3.95Å; F204-F320 HydrophobicContact CG-CZ 4.17Å; F204-F321 HydrophobicContact CD1-CE1 4.16Å; F204-F321 AromaticContact CD1-CZ 3.67Å; F204-F321 HydrophobicContact CD1-CZ 3.67Å; F204-F321 HydrophobicContact CE1-CE2 4.47Å; F204-F321 AromaticContact CE1-CZ 3.74Å; F204-F321 HydrophobicContact CE1-CZ 3.74Å
205	S	98.5	Very high	98.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.1	-37.3	177.9	-68.8	0	0	0	0	112.5	H135 R201 Y202 F203 L208 Y209	H135-S205 WeakPolarHBondContact CD2-CB 3.36Å; H135-S205 WeakPolarHBondContact NE2-CB 3.25Å; R201-S205 WeakPolarHBondContact O-CB 3.37Å; R201-S205 PolarHBondContact O-N 3.37Å; R201-S205 PolarHBondContact O-OG 3.43Å; R201-S205 VanDerWaalsContact O-OG 3.14Å; Y202-S205 PolarHBondContact O-N 2.86Å; F203-S205 PolarHBondContact O-N 3.25Å; S205-L208 PolarHBondContact O-N 3.39Å; S205-Y209 WeakPolarHBondContact O-CB 3.39Å; S205-Y209 WeakPolarHBondContact O-CD2 3.5Å; S205-Y209 PolarHBondContact O-N 2.91Å
206	F	98.6	Very high	98.3	Very high	17 Å²	17	19.8 Å²	19.8	8%	0.075	11%	0.105	C	C	.	.	H	α-helix	trans	-59.2	-50.8	172.6	160.2	-110.6	0	0	0	110.8	V90 V132 H135 Y136 Y202 F203 F204 L208 Y209 M210	V90-F206 HydrophobicContact CG1-CZ 4.34Å; V132-F206 HydrophobicContact CG1-CE2 4.44Å; H135-F206 HydrophobicContact CB-CB 3.9Å; Y136-F206 HydrophobicContact CD2-CD1 4.11Å; Y136-F206 AromaticContact CD2-CD2 3.75Å; Y136-F206 HydrophobicContact CD2-CD2 3.75Å; Y136-F206 AromaticContact CD2-CE1 3.85Å; Y136-F206 HydrophobicContact CD2-CE1 3.85Å; Y136-F206 AromaticContact CD2-CE2 3.46Å; Y136-F206 HydrophobicContact CD2-CE2 3.46Å; Y136-F206 VanDerWaalsContact CD2-CE2 3.46Å; Y136-F206 HydrophobicContact CD2-CG 4.06Å; Y136-F206 AromaticContact CD2-CZ 3.51Å; Y136-F206 HydrophobicContact CD2-CZ 3.51Å; Y136-F206 HydrophobicContact CE2-CE1 4.21Å; Y136-F206 HydrophobicContact CE2-CE2 4.3Å; Y136-F206 AromaticContact CE2-CZ 3.94Å; Y136-F206 HydrophobicContact CE2-CZ 3.94Å; Y136-F206 HydrophobicContact CG-CD2 4.1Å; Y136-F206 AromaticContact CG-CE2 3.94Å; Y136-F206 HydrophobicContact CG-CE2 3.94Å; Y136-F206 HydrophobicContact CG-CZ 4.41Å; Y202-F206 VanDerWaalsContact O-CB 3.31Å; Y202-F206 WeakPolarHBondContact O-CB 3.4Å; Y202-F206 PolarHBondContact O-N 2.91Å; F203-F206 WeakPolarHBondContact O-CB 3.35Å; F203-F206 PolarHBondContact O-N 3.1Å; F204-F206 VanDerWaalsContact C-N 3.32Å; F204-F206 PolarHBondContact O-N 2.82Å; F206-L208 VanDerWaalsContact C-N 3.33Å; F206-L208 PolarHBondContact O-N 3.32Å; F206-Y209 PolarHBondContact O-N 3.09Å; F206-M210 HydrophobicContact CD2-CB 4.33Å; F206-M210 HydrophobicContact CE2-CB 4.06Å; F206-M210 HydrophobicContact CE2-CG 4.26Å; F206-M210 WeakPolarHBondContact O-CB 3.44Å; F206-M210 PolarHBondContact O-N 2.83Å
207	C	98.7	Very high	98.3	Very high	3 Å²	3	21 Å²	21	2%	0.02	11%	0.113	C	C	.	.	H	α-helix	trans	-58.3	-46.5	177.9	-62.7	0	0	0	0	111.5	F203 F204 T211 L268 T272	F203-C207 VanDerWaalsContact CE2-SG 3.59Å; F203-C207 PolarHBondContact O-N 3.25Å; F203-C207 PolarHBondContact O-SG 3.38Å; F203-C207 VanDerWaalsContact O-SG 3.33Å; F204-C207 PolarHBondContact O-N 3.49Å; C207-T211 WeakPolarHBondContact O-CB 3.34Å; C207-T211 PolarHBondContact O-N 3.18Å; C207-T211 PolarHBondContact O-OG1 3.28Å; C207-T211 VanDerWaalsContact O-OG1 3.07Å; C207-L268 HydrophobicContact CB-CD1 4.04Å; C207-L268 HydrophobicContact CB-CG 4.29Å; C207-T272 WeakPolarHBondContact CB-OG1 3.47Å
208	L	98.6	Very high	98.3	Very high	47 Å²	47	21.5 Å²	21.5	25%	0.246	12%	0.118	C	C	.	.	H	α-helix	trans	-60	-55.5	179.2	177.5	63.7	0	0	0	112.2	F204 S205 F206 M210 T211 L212 T272	F204-L208 HydrophobicContact CE1-CB 4.37Å; F204-L208 HydrophobicContact CE1-CD2 4.14Å; F204-L208 WeakPolarHBondContact O-CB 3.45Å; F204-L208 PolarHBondContact O-N 3.18Å; S205-L208 PolarHBondContact O-N 3.39Å; F206-L208 VanDerWaalsContact C-N 3.33Å; F206-L208 PolarHBondContact O-N 3.32Å; L208-M210 VanDerWaalsContact C-N 3.34Å; L208-M210 PolarHBondContact O-N 3.35Å; L208-T211 PolarHBondContact O-N 3.31Å; L208-L212 HydrophobicContact CD1-CD1 4.19Å; L208-L212 HydrophobicContact CD1-CG 4.37Å; L208-L212 HydrophobicContact CG-CD1 4.16Å; L208-L212 WeakPolarHBondContact O-CG 3.37Å; L208-L212 PolarHBondContact O-N 3.1Å; L208-T272 HydrophobicContact CB-CG2 4.22Å; L208-T272 HydrophobicContact CD1-CG2 4.13Å
209	Y	98.7	Very high	98.3	Very high	5 Å²	5	24.2 Å²	24.2	2%	0.02	13%	0.131	C	C	.	.	H	α-helix	trans	-71.7	-29.5	-176	-70.9	-60.2	0	0	0	112.8	W127 L128 L131 V132 H135 S205 F206 L212 G213 V333	W127-Y209 HydrophobicContact CH2-CE1 4.45Å; W127-Y209 HydrophobicContact CZ2-CE1 4.36Å; L128-Y209 HydrophobicContact CD2-CD1 4.21Å; L131-Y209 HydrophobicContact CB-CD1 4.21Å; L131-Y209 HydrophobicContact CB-CD2 3.84Å; L131-Y209 HydrophobicContact CB-CE2 4.28Å; L131-Y209 HydrophobicContact CB-CG 3.8Å; L131-Y209 HydrophobicContact CD1-CD1 3.72Å; L131-Y209 HydrophobicContact CD1-CD2 4.23Å; L131-Y209 HydrophobicContact CD1-CE1 3.49Å; L131-Y209 VanDerWaalsContact CD1-CE1 3.49Å; L131-Y209 HydrophobicContact CD1-CE2 3.99Å; L131-Y209 HydrophobicContact CD1-CG 4.11Å; L131-Y209 HydrophobicContact CD2-CE2 4.29Å; L131-Y209 HydrophobicContact CG-CD2 4.48Å; L131-Y209 HydrophobicContact CG-CE2 4.45Å; V132-Y209 WeakPolarHBondContact CG2-O 3.28Å; H135-Y209 AromaticContact CE1-CE2 3.87Å; H135-Y209 AromaticContact ND1-CD2 3.86Å; S205-Y209 WeakPolarHBondContact O-CB 3.39Å; S205-Y209 WeakPolarHBondContact O-CD2 3.5Å; S205-Y209 PolarHBondContact O-N 2.91Å; F206-Y209 PolarHBondContact O-N 3.09Å; Y209-L212 HydrophobicContact CD1-CD1 4.03Å; Y209-L212 HydrophobicContact CE1-CD1 4.28Å; Y209-L212 PolarHBondContact O-N 2.93Å; Y209-G213 PolarHBondContact O-N 3.47Å; Y209-V333 PolarHBondContact OH-O 3.46Å
210	M	98.6	Very high	98.1	Very high	31 Å²	31	25.6 Å²	25.6	15%	0.153	14%	0.141	C	C	.	.	H	α-helix	trans	-67.8	-43.8	171.9	-176.5	66	-178.8	0	0	110.6	V132 F206 L208 L212 G213 C214 V264 L268	V132-M210 HydrophobicContact CG1-SD 3.88Å; V132-M210 HydrophobicContact CG2-CB 4.31Å; V132-M210 HydrophobicContact CG2-SD 4.44Å; F206-M210 HydrophobicContact CD2-CB 4.33Å; F206-M210 HydrophobicContact CE2-CB 4.06Å; F206-M210 HydrophobicContact CE2-CG 4.26Å; F206-M210 WeakPolarHBondContact O-CB 3.44Å; F206-M210 PolarHBondContact O-N 2.83Å; L208-M210 VanDerWaalsContact C-N 3.34Å; L208-M210 PolarHBondContact O-N 3.35Å; M210-L212 PolarHBondContact O-N 2.99Å; M210-G213 PolarHBondContact O-N 3.49Å; M210-C214 WeakPolarHBondContact O-CB 3.43Å; M210-C214 PolarHBondContact O-N 2.84Å; M210-C214 PolarHBondContact O-SG 2.77Å; M210-V264 HydrophobicContact CE-CG1 4.25Å; M210-L268 HydrophobicContact CB-CD2 3.55Å; M210-L268 HydrophobicContact CG-CD2 3.43Å; M210-L268 VanDerWaalsContact CG-CD2 3.43Å
211	T	98.7	Very high	98	Very high	18 Å²	18	25.4 Å²	25.4	11%	0.11	14%	0.14	C	C	.	.	H	α-helix	trans	-59.7	-47	172.5	-67.2	0	0	0	0	111.3	C207 L208 G213 C214 V215 G269	C207-T211 WeakPolarHBondContact O-CB 3.34Å; C207-T211 PolarHBondContact O-N 3.18Å; C207-T211 PolarHBondContact O-OG1 3.28Å; C207-T211 VanDerWaalsContact O-OG1 3.07Å; L208-T211 PolarHBondContact O-N 3.31Å; T211-G213 PolarHBondContact O-N 3.37Å; T211-C214 PolarHBondContact O-N 3.4Å; T211-V215 HydrophobicContact CG2-CG2 4.37Å; T211-V215 WeakPolarHBondContact O-CB 3.29Å; T211-V215 VanDerWaalsContact O-CG2 3.29Å; T211-V215 WeakPolarHBondContact O-CG2 3.33Å; T211-V215 PolarHBondContact O-N 2.79Å; T211-G269 PolarHBondContact OG1-N 2.85Å
212	L	98.6	Very high	97.9	Very high	76 Å²	76	32.4 Å²	32.4	40%	0.398	17%	0.167	S	C	.	.	H	α-helix	trans	-62.2	-42.5	177.6	-69.2	175.1	0	0	0	112.1	L128 L208 Y209 M210 V215 Y216	L128-L212 HydrophobicContact CD2-CB 3.97Å; L208-L212 HydrophobicContact CD1-CD1 4.19Å; L208-L212 HydrophobicContact CD1-CG 4.37Å; L208-L212 HydrophobicContact CG-CD1 4.16Å; L208-L212 WeakPolarHBondContact O-CG 3.37Å; L208-L212 PolarHBondContact O-N 3.1Å; Y209-L212 HydrophobicContact CD1-CD1 4.03Å; Y209-L212 HydrophobicContact CE1-CD1 4.28Å; Y209-L212 PolarHBondContact O-N 2.93Å; M210-L212 PolarHBondContact O-N 2.99Å; L212-V215 PolarHBondContact O-N 2.8Å; L212-Y216 WeakPolarHBondContact O-CB 3.19Å; L212-Y216 PolarHBondContact O-N 3.37Å
213	G	98.5	Very high	97.8	Very high	13 Å²	13	36.8 Å²	36.8	13%	0.134	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-45.5	174.7	0	0	0	0	0	112.5	Y209 M210 T211 Y216 C217	Y209-G213 PolarHBondContact O-N 3.47Å; M210-G213 PolarHBondContact O-N 3.49Å; T211-G213 PolarHBondContact O-N 3.37Å; G213-Y216 PolarHBondContact O-N 3.41Å; G213-C217 WeakPolarHBondContact O-CB 3.33Å; G213-C217 PolarHBondContact O-N 3.11Å; G213-C217 PolarHBondContact O-SG 3.42Å; G213-C217 VanDerWaalsContact O-SG 3.36Å
214	C	98.6	Very high	97.5	Very high	6 Å²	6	38.3 Å²	38.3	4%	0.041	20%	0.198	C	C	.	.	H	α-helix	trans	-64.2	-44.4	176.2	-73.8	0	0	0	0	112.6	M210 T211 Y216 C217 S218 T261 A265	M210-C214 WeakPolarHBondContact O-CB 3.43Å; M210-C214 PolarHBondContact O-N 2.84Å; M210-C214 PolarHBondContact O-SG 2.77Å; T211-C214 PolarHBondContact O-N 3.4Å; C214-Y216 VanDerWaalsContact C-N 3.34Å; C214-C217 PolarHBondContact O-N 3.04Å; C214-S218 VanDerWaalsContact O-CB 3.3Å; C214-S218 WeakPolarHBondContact O-CB 3.37Å; C214-S218 PolarHBondContact O-N 2.97Å; C214-T261 WeakPolarHBondContact CB-O 3.26Å; C214-A265 HydrophobicContact CB-CB 3.86Å
215	V	98.6	Very high	97.4	Very high	57 Å²	57	39.3 Å²	39.3	35%	0.345	20%	0.203	S	C	.	.	H	α-helix	trans	-61	-45.8	175	169.1	0	0	0	0	110.4	T211 L212 S218 I219 A265	T211-V215 HydrophobicContact CG2-CG2 4.37Å; T211-V215 WeakPolarHBondContact O-CB 3.29Å; T211-V215 VanDerWaalsContact O-CG2 3.29Å; T211-V215 WeakPolarHBondContact O-CG2 3.33Å; T211-V215 PolarHBondContact O-N 2.79Å; L212-V215 PolarHBondContact O-N 2.8Å; V215-S218 PolarHBondContact O-N 3.35Å; V215-I219 HydrophobicContact CG1-CD1 3.63Å; V215-I219 HydrophobicContact CG1-CG1 4.35Å; V215-I219 WeakPolarHBondContact O-CB 3.45Å; V215-I219 VanDerWaalsContact O-CG1 3.32Å; V215-I219 WeakPolarHBondContact O-CG1 3.24Å; V215-I219 PolarHBondContact O-N 3.46Å; V215-A265 HydrophobicContact CG2-CB 3.86Å
216	Y	98.1	Very high	97.3	Very high	41 Å²	41	43.1 Å²	43.1	16%	0.161	22%	0.223	C	C	.	.	H	α-helix	trans	-60	-47.2	177.8	172.3	-97.7	0	0	0	112.2	H121 C124 L128 L212 G213 C214 S220	H121-Y216 WeakPolarHBondContact CA-OH 3.28Å; H121-Y216 AromaticContact ND1-CZ 3.64Å; H121-Y216 PolarHBondContact ND1-OH 2.93Å; H121-Y216 PolarHBondContact O-OH 2.92Å; C124-Y216 HydrophobicContact CB-CE2 4.37Å; L128-Y216 HydrophobicContact CD1-CD1 4.07Å; L128-Y216 HydrophobicContact CD1-CD2 4.44Å; L128-Y216 HydrophobicContact CD1-CG 3.88Å; L212-Y216 WeakPolarHBondContact O-CB 3.19Å; L212-Y216 PolarHBondContact O-N 3.37Å; G213-Y216 PolarHBondContact O-N 3.41Å; C214-Y216 VanDerWaalsContact C-N 3.34Å; Y216-S220 VanDerWaalsContact O-CB 3.24Å; Y216-S220 WeakPolarHBondContact O-CB 3.39Å; Y216-S220 PolarHBondContact O-N 2.88Å; Y216-S220 PolarHBondContact O-OG 2.81Å
217	C	97.6	Very high	97	Very high	25 Å²	25	47 Å²	47	17%	0.169	24%	0.244	C	C	.	.	H	α-helix	trans	-63.7	-41	176.3	-73.8	0	0	0	0	112.3	G213 C214 S221 T261	G213-C217 WeakPolarHBondContact O-CB 3.33Å; G213-C217 PolarHBondContact O-N 3.11Å; G213-C217 PolarHBondContact O-SG 3.42Å; G213-C217 VanDerWaalsContact O-SG 3.36Å; C214-C217 PolarHBondContact O-N 3.04Å; C217-S221 VanDerWaalsContact O-CB 3.3Å; C217-S221 WeakPolarHBondContact O-CB 3.21Å; C217-S221 PolarHBondContact O-N 3.29Å; C217-S221 PolarHBondContact O-OG 3.34Å; C217-T261 HydrophobicContact CB-CG2 3.88Å
218	S	97.6	Very high	96.7	Very high	20 Å²	20	46.9 Å²	46.9	14%	0.14	24%	0.243	C	C	.	.	H	α-helix	trans	-65.6	-43.8	178.7	174.2	0	0	0	0	111.9	C214 V215 R222 W258 S262	C214-S218 VanDerWaalsContact O-CB 3.3Å; C214-S218 WeakPolarHBondContact O-CB 3.37Å; C214-S218 PolarHBondContact O-N 2.97Å; V215-S218 PolarHBondContact O-N 3.35Å; S218-R222 PolarHBondContact O-N 3.29Å; S218-W258 VanDerWaalsContact O-CD1 3.31Å; S218-W258 PolarHBondContact O-NE1 3.36Å; S218-W258 VanDerWaalsContact O-NE1 3.1Å; S218-W258 PolarHBondContact OG-NE1 2.97Å; S218-S262 WeakPolarHBondContact CB-OG 3.39Å; S218-S262 PolarHBondContact OG-OG 3.4Å
219	I	96.9	Very high	96.4	Very high	120 Å²	120	50.3 Å²	50.3	62%	0.615	25%	0.254	S	S	*	.	H	α-helix	trans	-67.4	-48.1	176.8	-67.2	171.6	0	0	0	110.4	V215 S221 R222	V215-I219 HydrophobicContact CG1-CD1 3.63Å; V215-I219 HydrophobicContact CG1-CG1 4.35Å; V215-I219 WeakPolarHBondContact O-CB 3.45Å; V215-I219 VanDerWaalsContact O-CG1 3.32Å; V215-I219 WeakPolarHBondContact O-CG1 3.24Å; V215-I219 PolarHBondContact O-N 3.46Å; I219-S221 VanDerWaalsContact C-N 3.31Å; I219-S221 PolarHBondContact O-N 3.17Å; I219-R222 WeakPolarHBondContact O-CB 3.48Å; I219-R222 PolarHBondContact O-N 2.86Å
220	S	94.8	Very high	96	Very high	30 Å²	30	52.6 Å²	52.6	21%	0.21	27%	0.271	C	S	.	.	H	α-helix	trans	-67.4	-31.2	-175.7	-54.9	0	0	0	0	112.8	Y216	Y216-S220 VanDerWaalsContact O-CB 3.24Å; Y216-S220 WeakPolarHBondContact O-CB 3.39Å; Y216-S220 PolarHBondContact O-N 2.88Å; Y216-S220 PolarHBondContact O-OG 2.81Å
221	S	95.6	Very high	95.5	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.014	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	4.6	178.8	66.4	0	0	0	0	114	C217 I219 N223 L224 F225	C217-S221 VanDerWaalsContact O-CB 3.3Å; C217-S221 WeakPolarHBondContact O-CB 3.21Å; C217-S221 PolarHBondContact O-N 3.29Å; C217-S221 PolarHBondContact O-OG 3.34Å; I219-S221 VanDerWaalsContact C-N 3.31Å; I219-S221 PolarHBondContact O-N 3.17Å; S221-N223 PolarHBondContact O-N 3.48Å; S221-L224 PolarHBondContact O-N 2.86Å; S221-F225 WeakPolarHBondContact O-CB 3.45Å; S221-F225 PolarHBondContact O-N 3.08Å
222	R	96	Very high	94.8	Very high	154 Å²	154	54 Å²	54	58%	0.581	28%	0.282	S	S	*	.	H	α-helix	trans	-54.7	-48.1	-176.4	178.7	-178	172.2	175.7	-1.7	113.3	S218 I219 F225 L226	S218-R222 PolarHBondContact O-N 3.29Å; I219-R222 WeakPolarHBondContact O-CB 3.48Å; I219-R222 PolarHBondContact O-N 2.86Å; R222-F225 WeakPolarHBondContact O-CB 3.36Å; R222-F225 PolarHBondContact O-N 3Å; R222-L226 HydrophobicContact CG-CD1 4.43Å; R222-L226 WeakPolarHBondContact O-CG 3.17Å; R222-L226 PolarHBondContact O-N 3.22Å
223	N	94.7	Very high	94.3	Very high	98 Å²	98	54.7 Å²	54.7	52%	0.524	28%	0.283	S	S	.	.	H	α-helix	trans	-68.2	-44.4	-177.7	-65.2	-16.5	0	0	0	110.7	S221 F225 L226 D227	S221-N223 PolarHBondContact O-N 3.48Å; N223-F225 PolarHBondContact O-N 2.78Å; N223-L226 PolarHBondContact O-N 3.09Å; N223-D227 VanDerWaalsContact O-CG 3.24Å; N223-D227 PolarHBondContact O-N 2.93Å
224	L	93.9	Very high	93.6	Very high	35 Å²	35	57.1 Å²	57.1	18%	0.183	30%	0.296	C	S	.	.	H	α-helix	trans	-57.8	-36.7	174.7	-62.5	171.4	0	0	0	112.2	V105 T108 S221 A228 I254	V105-L224 HydrophobicContact CG1-CD1 4.04Å; V105-L224 HydrophobicContact CG2-CD1 4.42Å; T108-L224 HydrophobicContact CG2-CD2 3.65Å; S221-L224 PolarHBondContact O-N 2.86Å; L224-A228 WeakPolarHBondContact O-CB 3.18Å; L224-A228 PolarHBondContact O-N 3.44Å; L224-I254 HydrophobicContact CB-CD1 4.4Å; L224-I254 HydrophobicContact CB-CG2 3.87Å
225	F	96	Very high	92.8	Very high	27 Å²	27	58.9 Å²	58.9	12%	0.118	31%	0.308	C	S	.	.	H	α-helix	trans	-65.5	-47	174.1	164.1	-101.4	0	0	0	112	S221 R222 N223 D227 A228 Y229 I254 I255 W258	S221-F225 WeakPolarHBondContact O-CB 3.45Å; S221-F225 PolarHBondContact O-N 3.08Å; R222-F225 WeakPolarHBondContact O-CB 3.36Å; R222-F225 PolarHBondContact O-N 3Å; N223-F225 PolarHBondContact O-N 2.78Å; F225-D227 VanDerWaalsContact C-N 3.32Å; F225-D227 PolarHBondContact O-N 3.34Å; F225-A228 PolarHBondContact O-N 3.5Å; F225-Y229 HydrophobicContact CZ-CD2 4.47Å; F225-Y229 WeakPolarHBondContact O-CB 3.36Å; F225-Y229 PolarHBondContact O-N 3.08Å; F225-I254 HydrophobicContact CB-CG2 4.44Å; F225-I255 HydrophobicContact CD2-CB 4.5Å; F225-I255 HydrophobicContact CD2-CG1 4.04Å; F225-I255 HydrophobicContact CE2-CG1 4.19Å; F225-I255 HydrophobicContact CE2-CG2 4.32Å; F225-W258 HydrophobicContact CB-CB 3.88Å; F225-W258 HydrophobicContact CB-CD2 4.31Å; F225-W258 HydrophobicContact CB-CG 3.72Å; F225-W258 AromaticContact CD1-CD2 3.81Å; F225-W258 HydrophobicContact CD1-CD2 3.81Å; F225-W258 HydrophobicContact CD1-CE3 4.05Å; F225-W258 HydrophobicContact CD1-CG 4.15Å; F225-W258 HydrophobicContact CD1-CZ2 4.49Å; F225-W258 HydrophobicContact CD1-CZ3 4.48Å; F225-W258 HydrophobicContact CD2-CB 3.78Å; F225-W258 HydrophobicContact CD2-CD2 4Å; F225-W258 AromaticContact CD2-CE3 3.98Å; F225-W258 HydrophobicContact CD2-CE3 3.98Å; F225-W258 AromaticContact CD2-CG 3.92Å; F225-W258 HydrophobicContact CD2-CG 3.92Å; F225-W258 HydrophobicContact CE1-CD2 4.13Å; F225-W258 AromaticContact CE1-CE3 3.89Å; F225-W258 HydrophobicContact CE1-CE3 3.89Å; F225-W258 HydrophobicContact CE1-CH2 4.3Å; F225-W258 AromaticContact CE1-CZ3 3.98Å; F225-W258 HydrophobicContact CE1-CZ3 3.98Å; F225-W258 HydrophobicContact CE2-CD2 4.3Å; F225-W258 AromaticContact CE2-CE3 3.81Å; F225-W258 HydrophobicContact CE2-CE3 3.81Å; F225-W258 HydrophobicContact CE2-CZ3 4.44Å; F225-W258 HydrophobicContact CG-CB 3.91Å; F225-W258 AromaticContact CG-CD2 3.74Å; F225-W258 HydrophobicContact CG-CD2 3.74Å; F225-W258 HydrophobicContact CG-CE3 4.09Å; F225-W258 AromaticContact CG-CG 3.63Å; F225-W258 HydrophobicContact CG-CG 3.63Å; F225-W258 HydrophobicContact CZ-CD2 4.36Å; F225-W258 AromaticContact CZ-CE3 3.77Å; F225-W258 HydrophobicContact CZ-CE3 3.77Å; F225-W258 AromaticContact CZ-CZ3 3.96Å; F225-W258 HydrophobicContact CZ-CZ3 3.96Å
226	L	95.5	Very high	92	Very high	80 Å²	80	64.5 Å²	64.5	42%	0.419	33%	0.328	S	S	.	.	H	α-helix	trans	-61.7	-42.3	177.9	-67.8	172.8	0	0	0	111.1	R222 N223 Y229 S230	R222-L226 HydrophobicContact CG-CD1 4.43Å; R222-L226 WeakPolarHBondContact O-CG 3.17Å; R222-L226 PolarHBondContact O-N 3.22Å; N223-L226 PolarHBondContact O-N 3.09Å; L226-Y229 PolarHBondContact O-N 3.49Å; L226-S230 WeakPolarHBondContact O-CB 3.15Å; L226-S230 PolarHBondContact O-N 3.44Å; L226-S230 PolarHBondContact O-OG 2.91Å
227	D	92.3	Very high	91.2	Very high	99 Å²	99	69.6 Å²	69.6	53%	0.529	35%	0.353	S	S	.	.	H	α-helix	trans	-63.8	-49.6	177.5	-61.4	-23.2	0	0	0	110.7	N223 F225 Y229 S230 A231	N223-D227 VanDerWaalsContact O-CG 3.24Å; N223-D227 PolarHBondContact O-N 2.93Å; F225-D227 VanDerWaalsContact C-N 3.32Å; F225-D227 PolarHBondContact O-N 3.34Å; D227-Y229 VanDerWaalsContact C-N 3.33Å; D227-Y229 PolarHBondContact O-N 3.23Å; D227-S230 PolarHBondContact O-N 3.39Å; D227-S230 PolarHBondContact O-OG 3.45Å; D227-A231 WeakPolarHBondContact O-CB 3.4Å; D227-A231 PolarHBondContact O-N 3.17Å
228	A	92.4	Very high	90.3	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-61.8	-39.5	177.3	0	0	0	0	0	112.7	L224 F225 I232 H251 I254 I255	L224-A228 WeakPolarHBondContact O-CB 3.18Å; L224-A228 PolarHBondContact O-N 3.44Å; F225-A228 PolarHBondContact O-N 3.5Å; A228-I232 WeakPolarHBondContact O-CG1 3.21Å; A228-I232 PolarHBondContact O-N 2.81Å; A228-H251 HydrophobicContact CB-CB 3.83Å; A228-I254 HydrophobicContact CB-CB 4.45Å; A228-I254 HydrophobicContact CB-CG2 4.34Å; A228-I255 HydrophobicContact CB-CD1 4.25Å; A228-I255 HydrophobicContact CB-CG1 4.08Å
229	Y	93.1	Very high	89.1	Confident	119 Å²	119	76.6 Å²	76.6	47%	0.467	40%	0.397	S	S	.	.	H	α-helix	trans	-66.6	-47.8	177.8	-177	-98.1	0	0	0	110.9	F225 L226 D227 A231 I232 E233	F225-Y229 HydrophobicContact CZ-CD2 4.47Å; F225-Y229 WeakPolarHBondContact O-CB 3.36Å; F225-Y229 PolarHBondContact O-N 3.08Å; L226-Y229 PolarHBondContact O-N 3.49Å; D227-Y229 VanDerWaalsContact C-N 3.33Å; D227-Y229 PolarHBondContact O-N 3.23Å; Y229-A231 VanDerWaalsContact C-N 3.31Å; Y229-A231 PolarHBondContact O-N 3.32Å; Y229-I232 PolarHBondContact O-N 3.43Å; Y229-I232 VanDerWaalsContact O-N 3.16Å; Y229-E233 PolarHBondContact O-N 2.88Å
230	S	91.1	Very high	87.6	Confident	53 Å²	53	74.8 Å²	74.8	37%	0.371	39%	0.393	S	S	.	.	H	α-helix	trans	-63.3	-36.6	179.4	71.8	0	0	0	0	112.4	L226 D227 E233 T234	L226-S230 WeakPolarHBondContact O-CB 3.15Å; L226-S230 PolarHBondContact O-N 3.44Å; L226-S230 PolarHBondContact O-OG 2.91Å; D227-S230 PolarHBondContact O-N 3.39Å; D227-S230 PolarHBondContact O-OG 3.45Å; S230-E233 PolarHBondContact O-N 3.38Å; S230-T234 WeakPolarHBondContact O-CB 3.19Å; S230-T234 PolarHBondContact O-N 2.97Å; S230-T234 PolarHBondContact O-OG1 3.43Å
231	A	87.1	Confident	86.3	Confident	31 Å²	31	77.3 Å²	77.3	26%	0.256	41%	0.409	S	S	.	.	H	α-helix	trans	-63.2	-41.6	174.4	0	0	0	0	0	112	D227 Y229 S235	D227-A231 WeakPolarHBondContact O-CB 3.4Å; D227-A231 PolarHBondContact O-N 3.17Å; Y229-A231 VanDerWaalsContact C-N 3.31Å; Y229-A231 PolarHBondContact O-N 3.32Å; A231-S235 PolarHBondContact O-N 3.43Å
232	I	84.9	Confident	85.2	Confident	48 Å²	48	85.7 Å²	85.7	25%	0.246	45%	0.453	C	S	.	.	H	α-helix	trans	-69.9	-43.3	176.5	-69.6	-177.9	0	0	0	110.9	A228 Y229 T234 S235 F236 H251 I255	A228-I232 WeakPolarHBondContact O-CG1 3.21Å; A228-I232 PolarHBondContact O-N 2.81Å; Y229-I232 PolarHBondContact O-N 3.43Å; Y229-I232 VanDerWaalsContact O-N 3.16Å; I232-T234 VanDerWaalsContact C-N 3.33Å; I232-T234 PolarHBondContact O-N 3.49Å; I232-S235 WeakPolarHBondContact O-CB 3.34Å; I232-S235 PolarHBondContact O-N 3.48Å; I232-S235 PolarHBondContact O-OG 3.5Å; I232-F236 HydrophobicContact CG2-CD2 4.26Å; I232-F236 HydrophobicContact CG2-CE2 3.59Å; I232-F236 HydrophobicContact CG2-CZ 4.41Å; I232-F236 WeakPolarHBondContact O-CD2 3.3Å; I232-F236 PolarHBondContact O-N 3.34Å; I232-H251 HydrophobicContact CD1-CB 4.48Å; I232-I255 HydrophobicContact CD1-CD1 3.33Å; I232-I255 HydrophobicContact CG1-CD1 4.35Å
233	E	87.1	Confident	84.3	Confident	90 Å²	90	81.7 Å²	81.7	42%	0.421	44%	0.443	S	S	.	.	H	α-helix	trans	-59.6	-45	177.9	-175.5	171.8	-158.9	0	0	111.7	Y229 S230 S235 F236	Y229-E233 PolarHBondContact O-N 2.88Å; S230-E233 PolarHBondContact O-N 3.38Å; E233-S235 VanDerWaalsContact C-N 3.27Å; E233-S235 PolarHBondContact O-N 2.97Å; E233-F236 PolarHBondContact O-N 2.8Å; E233-F236 VanDerWaalsContact O-N 3.11Å
234	T	84.8	Confident	83.8	Confident	65 Å²	65	79.2 Å²	79.2	40%	0.399	43%	0.433	S	S	.	.	H	α-helix	trans	-62.6	-35.1	178.3	-54.2	0	0	0	0	111.9	S230 I232 F236 Q237 T238	S230-T234 WeakPolarHBondContact O-CB 3.19Å; S230-T234 PolarHBondContact O-N 2.97Å; S230-T234 PolarHBondContact O-OG1 3.43Å; I232-T234 VanDerWaalsContact C-N 3.33Å; I232-T234 PolarHBondContact O-N 3.49Å; T234-F236 PolarHBondContact O-N 2.88Å; T234-Q237 PolarHBondContact O-N 3.35Å; T234-T238 WeakPolarHBondContact CG2-OG1 3.38Å; T234-T238 PolarHBondContact O-N 3.33Å; T234-T238 PolarHBondContact O-OG1 3.29Å
235	S	80.1	Confident	83.5	Confident	42 Å²	42	82.8 Å²	82.8	29%	0.294	46%	0.459	S	S	.	.	H	α-helix	trans	-65.5	-19.6	177.1	76.6	0	0	0	0	114.4	A231 I232 E233	A231-S235 PolarHBondContact O-N 3.43Å; I232-S235 WeakPolarHBondContact O-CB 3.34Å; I232-S235 PolarHBondContact O-N 3.48Å; I232-S235 PolarHBondContact O-OG 3.5Å; E233-S235 VanDerWaalsContact C-N 3.27Å; E233-S235 PolarHBondContact O-N 2.97Å
236	F	81.9	Confident	83.1	Confident	175 Å²	175	89.9 Å²	89.9	77%	0.768	49%	0.485	S	S	*	.	H	α-helix	trans	-84.7	-22	172.9	-69	-67.3	0	0	0	112.9	I232 E233 T234	I232-F236 HydrophobicContact CG2-CD2 4.26Å; I232-F236 HydrophobicContact CG2-CE2 3.59Å; I232-F236 HydrophobicContact CG2-CZ 4.41Å; I232-F236 WeakPolarHBondContact O-CD2 3.3Å; I232-F236 PolarHBondContact O-N 3.34Å; E233-F236 PolarHBondContact O-N 2.8Å; E233-F236 VanDerWaalsContact O-N 3.11Å; T234-F236 PolarHBondContact O-N 2.88Å
237	Q	82.2	Confident	82.7	Confident	148 Å²	148	90.6 Å²	90.6	69%	0.692	49%	0.486	S	S	*	.	H	α-helix	trans	-99.6	-30.7	-175.4	-65.2	179.7	-5.7	0	0	112.9	T234	T234-Q237 PolarHBondContact O-N 3.35Å
238	T	77.9	Confident	82.5	Confident	73 Å²	73	88 Å²	88	45%	0.448	48%	0.475	S	S	.	.	S	Bend	trans	-133.1	156.8	-176.8	56.2	0	0	0	0	109.8	T234 P240	T234-T238 WeakPolarHBondContact CG2-OG1 3.38Å; T234-T238 PolarHBondContact O-N 3.33Å; T234-T238 PolarHBondContact O-OG1 3.29Å; T238-P240 VanDerWaalsContact O-N 3.15Å
239	P	72	Confident	82.4	Confident	120 Å²	120	91.5 Å²	91.5	78%	0.779	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-51.3	124.6	172.1	-22.1	31.8	0	0	0	109
240	P	65.6	Low	82.4	Confident	81 Å²	81	86.1 Å²	86.1	53%	0.526	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-59.2	141.3	-176.9	20.4	-30	0	0	0	109.7	T238	T238-P240 VanDerWaalsContact O-N 3.15Å
241	P	67.5	Low	82.5	Confident	84 Å²	84	85.7 Å²	85.7	55%	0.545	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-56.8	151.6	166.1	23.3	-29.7	0	0	0	109.4	L243	P241-L243 HydrophobicContact CG-CD1 4.3Å; P241-L243 HydrophobicContact CG-CG 4.18Å; P241-L243 PolarHBondContact O-N 2.86Å
242	D	72.4	Confident	82.8	Confident	178 Å²	178	90.3 Å²	90.3	95%	0.952	48%	0.483	S	S	*	.			trans	-66.1	73.1	175.1	-77.3	-30.7	0	0	0	110.4
243	L	76.9	Confident	83.4	Confident	69 Å²	69	89.5 Å²	89.5	36%	0.361	48%	0.482	S	S	.	.			trans	-73.3	134.8	176	-74.9	163.5	0	0	0	109	P241 E247	P241-L243 HydrophobicContact CG-CD1 4.3Å; P241-L243 HydrophobicContact CG-CG 4.18Å; P241-L243 PolarHBondContact O-N 2.86Å; L243-E247 HydrophobicContact CD2-CB 4.03Å
244	S	85.9	Confident	83.8	Confident	47 Å²	47	85.9 Å²	85.9	33%	0.329	47%	0.465	S	S	.	.			trans	-61.2	150.4	171.2	69.9	0	0	0	0	110.2	R246 E247 S248	S244-R246 PolarHBondContact O-N 2.83Å; S244-E247 VanDerWaalsContact CB-OE2 3.28Å; S244-E247 WeakPolarHBondContact CB-OE2 3.26Å; S244-E247 PolarHBondContact N-OE2 3.01Å; S244-E247 PolarHBondContact O-N 3.33Å; S244-E247 VanDerWaalsContact OG-CG 3.27Å; S244-E247 WeakPolarHBondContact OG-CG 3.28Å; S244-E247 PolarHBondContact OG-N 3.35Å; S244-E247 PolarHBondContact OG-OE2 3.41Å; S244-S248 PolarHBondContact O-N 2.73Å; S244-S248 VanDerWaalsContact O-N 3.15Å
245	P	86.4	Confident	84.4	Confident	110 Å²	110	84.4 Å²	84.4	71%	0.714	46%	0.455	S	S	*	.	H	α-helix	trans	-53.4	-33	176.8	-28.1	34.9	0	0	0	113	V249	P245-V249 VanDerWaalsContact O-CG2 3.29Å; P245-V249 WeakPolarHBondContact O-CG2 3.37Å; P245-V249 PolarHBondContact O-N 2.94Å
246	R	88.6	Confident	85.2	Confident	175 Å²	175	87 Å²	87	66%	0.66	46%	0.461	S	S	*	.	H	α-helix	trans	-66.2	-41.1	178.3	-173.3	172.9	-173.8	-101.2	-3.1	112.4	S244 G250	S244-R246 PolarHBondContact O-N 2.83Å; R246-G250 PolarHBondContact O-N 2.85Å
247	E	86.5	Confident	86	Confident	96 Å²	96	78.7 Å²	78.7	45%	0.449	42%	0.424	S	S	.	.	H	α-helix	trans	-69.1	-42.4	178.1	-70.4	160.4	142	0	0	111.1	L243 S244 V249 G250 H251	L243-E247 HydrophobicContact CD2-CB 4.03Å; S244-E247 VanDerWaalsContact CB-OE2 3.28Å; S244-E247 WeakPolarHBondContact CB-OE2 3.26Å; S244-E247 PolarHBondContact N-OE2 3.01Å; S244-E247 PolarHBondContact O-N 3.33Å; S244-E247 VanDerWaalsContact OG-CG 3.27Å; S244-E247 WeakPolarHBondContact OG-CG 3.28Å; S244-E247 PolarHBondContact OG-N 3.35Å; S244-E247 PolarHBondContact OG-OE2 3.41Å; E247-V249 VanDerWaalsContact C-N 3.34Å; E247-V249 PolarHBondContact O-N 2.73Å; E247-G250 PolarHBondContact O-N 3.29Å; E247-G250 VanDerWaalsContact O-N 3.15Å; E247-H251 PolarHBondContact O-N 2.73Å; E247-H251 PolarHBondContact O-ND1 2.84Å
248	S	87.3	Confident	86.7	Confident	44 Å²	44	74.9 Å²	74.9	31%	0.308	40%	0.403	S	S	.	.	H	α-helix	trans	-59.6	-43.9	175.4	-172.5	0	0	0	0	112.3	S244 K252	S244-S248 PolarHBondContact O-N 2.73Å; S244-S248 VanDerWaalsContact O-N 3.15Å; S248-K252 WeakPolarHBondContact O-CG 3.41Å; S248-K252 PolarHBondContact O-N 3.4Å
249	V	91.8	Very high	87.7	Confident	74 Å²	74	75 Å²	75	45%	0.448	40%	0.404	S	S	.	.	H	α-helix	trans	-64.7	-42.8	174.6	172	0	0	0	0	110.8	F104 P245 E247 H251 K252 C253	F104-V249 HydrophobicContact CZ-CG1 4.03Å; P245-V249 VanDerWaalsContact O-CG2 3.29Å; P245-V249 WeakPolarHBondContact O-CG2 3.37Å; P245-V249 PolarHBondContact O-N 2.94Å; E247-V249 VanDerWaalsContact C-N 3.34Å; E247-V249 PolarHBondContact O-N 2.73Å; V249-H251 PolarHBondContact O-N 2.86Å; V249-K252 PolarHBondContact O-N 2.85Å; V249-C253 WeakPolarHBondContact O-CB 3.4Å; V249-C253 PolarHBondContact O-N 3.41Å; V249-C253 PolarHBondContact O-SG 3.48Å; V249-C253 VanDerWaalsContact O-SG 3.35Å
250	G	93.3	Very high	89	Confident	5 Å²	5	70.6 Å²	70.6	5%	0.052	37%	0.374	C	S	.	.	H	α-helix	trans	-55.6	-50.1	177.2	0	0	0	0	0	112.8	R246 E247 K252 C253 I254	R246-G250 PolarHBondContact O-N 2.85Å; E247-G250 PolarHBondContact O-N 3.29Å; E247-G250 VanDerWaalsContact O-N 3.15Å; G250-K252 PolarHBondContact O-N 3.36Å; G250-C253 PolarHBondContact O-N 2.84Å; G250-I254 VanDerWaalsContact O-CG1 3.27Å; G250-I254 WeakPolarHBondContact O-CG1 3.25Å; G250-I254 PolarHBondContact O-N 2.69Å
251	H	92.4	Very high	90.5	Very high	45 Å²	45	66.8 Å²	66.8	21%	0.208	35%	0.349	C	S	.	.	H	α-helix	trans	-58.2	-46.2	177.7	-66.5	149.1	0	0	0	112.3	A228 I232 E247 V249 C253 I254 I255	A228-H251 HydrophobicContact CB-CB 3.83Å; I232-H251 HydrophobicContact CD1-CB 4.48Å; E247-H251 PolarHBondContact O-N 2.73Å; E247-H251 PolarHBondContact O-ND1 2.84Å; V249-H251 PolarHBondContact O-N 2.86Å; H251-C253 PolarHBondContact O-N 3.43Å; H251-I254 PolarHBondContact O-N 2.89Å; H251-I255 WeakPolarHBondContact O-CG1 3.25Å; H251-I255 PolarHBondContact O-N 3.33Å
252	K	93.9	Very high	92	Very high	127 Å²	127	64 Å²	64	55%	0.552	33%	0.331	S	S	*	.	H	α-helix	trans	-62.5	-42.4	177.7	-67.6	171.5	-172.7	171.8	0	111.9	S248 V249 G250 I255 F256	S248-K252 WeakPolarHBondContact O-CG 3.41Å; S248-K252 PolarHBondContact O-N 3.4Å; V249-K252 PolarHBondContact O-N 2.85Å; G250-K252 PolarHBondContact O-N 3.36Å; K252-I255 PolarHBondContact O-N 3.46Å; K252-F256 WeakPolarHBondContact O-CB 3.12Å; K252-F256 PolarHBondContact O-N 2.88Å
253	C	96.4	Very high	93.2	Very high	31 Å²	31	58.6 Å²	58.6	21%	0.209	31%	0.308	C	S	.	.	H	α-helix	trans	-64.8	-42	177.2	-74.7	0	0	0	0	112.4	I100 F104 V249 G250 H251 F256 L257	I100-C253 HydrophobicContact CD1-CB 4.26Å; I100-C253 HydrophobicContact CG1-CB 4.07Å; I100-C253 HydrophobicContact CG2-CB 3.98Å; F104-C253 HydrophobicContact CD2-CB 4.03Å; F104-C253 HydrophobicContact CE2-CB 3.97Å; V249-C253 WeakPolarHBondContact O-CB 3.4Å; V249-C253 PolarHBondContact O-N 3.41Å; V249-C253 PolarHBondContact O-SG 3.48Å; V249-C253 VanDerWaalsContact O-SG 3.35Å; G250-C253 PolarHBondContact O-N 2.84Å; H251-C253 PolarHBondContact O-N 3.43Å; C253-F256 PolarHBondContact O-N 3.27Å; C253-L257 WeakPolarHBondContact O-CB 3.45Å; C253-L257 PolarHBondContact O-N 2.97Å
254	I	96.6	Very high	94.2	Very high	14 Å²	14	57.2 Å²	57.2	7%	0.072	30%	0.302	C	S	.	.	H	α-helix	trans	-65	-42	178.3	-69.5	163.3	0	0	0	110.7	F104 L224 F225 A228 G250 H251 L257 W258	F104-I254 HydrophobicContact CB-CG1 4.49Å; L224-I254 HydrophobicContact CB-CD1 4.4Å; L224-I254 HydrophobicContact CB-CG2 3.87Å; F225-I254 HydrophobicContact CB-CG2 4.44Å; A228-I254 HydrophobicContact CB-CB 4.45Å; A228-I254 HydrophobicContact CB-CG2 4.34Å; G250-I254 VanDerWaalsContact O-CG1 3.27Å; G250-I254 WeakPolarHBondContact O-CG1 3.25Å; G250-I254 PolarHBondContact O-N 2.69Å; H251-I254 PolarHBondContact O-N 2.89Å; I254-L257 WeakPolarHBondContact O-CB 3.28Å; I254-L257 PolarHBondContact O-N 3.4Å; I254-W258 PolarHBondContact O-N 3.32Å
255	I	96.6	Very high	94.8	Very high	35 Å²	35	55.6 Å²	55.6	18%	0.179	29%	0.292	C	S	.	.	H	α-helix	trans	-62	-47.8	174.9	-69.7	166.4	0	0	0	110.9	F225 A228 I232 H251 K252 L257 W258 V259	F225-I255 HydrophobicContact CD2-CB 4.5Å; F225-I255 HydrophobicContact CD2-CG1 4.04Å; F225-I255 HydrophobicContact CE2-CG1 4.19Å; F225-I255 HydrophobicContact CE2-CG2 4.32Å; A228-I255 HydrophobicContact CB-CD1 4.25Å; A228-I255 HydrophobicContact CB-CG1 4.08Å; I232-I255 HydrophobicContact CD1-CD1 3.33Å; I232-I255 HydrophobicContact CG1-CD1 4.35Å; H251-I255 WeakPolarHBondContact O-CG1 3.25Å; H251-I255 PolarHBondContact O-N 3.33Å; K252-I255 PolarHBondContact O-N 3.46Å; I255-L257 VanDerWaalsContact C-N 3.34Å; I255-L257 PolarHBondContact O-N 2.96Å; I255-W258 PolarHBondContact O-N 3Å; I255-V259 HydrophobicContact CG2-CG2 4.31Å; I255-V259 WeakPolarHBondContact O-CB 3.49Å; I255-V259 VanDerWaalsContact O-CG2 3.31Å; I255-V259 WeakPolarHBondContact O-CG2 3.33Å; I255-V259 PolarHBondContact O-N 3.08Å
256	F	97.5	Very high	95.4	Very high	96 Å²	96	56 Å²	56	42%	0.421	29%	0.291	S	S	.	.	H	α-helix	trans	-57.5	-46.5	175.7	173	-98.6	0	0	0	112	L93 I100 K252 C253 W258 L260	L93-F256 HydrophobicContact CD2-CZ 4.49Å; I100-F256 HydrophobicContact CD1-CD1 3.63Å; I100-F256 HydrophobicContact CD1-CE1 4.14Å; K252-F256 WeakPolarHBondContact O-CB 3.12Å; K252-F256 PolarHBondContact O-N 2.88Å; C253-F256 PolarHBondContact O-N 3.27Å; F256-W258 PolarHBondContact O-N 3.32Å; F256-L260 HydrophobicContact CE1-CD2 3.79Å; F256-L260 HydrophobicContact CZ-CD2 3.71Å; F256-L260 WeakPolarHBondContact O-CB 3.38Å; F256-L260 PolarHBondContact O-N 3.38Å
257	L	98.1	Very high	95.7	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-56	-52	176.6	169.5	69.2	0	0	0	111.4	V97 I100 V101 V105 C253 I254 I255 T261	V97-L257 HydrophobicContact CB-CD1 4.15Å; V97-L257 HydrophobicContact CG1-CD1 3.63Å; V97-L257 HydrophobicContact CG2-CD1 4.05Å; I100-L257 HydrophobicContact CD1-CB 4.49Å; I100-L257 HydrophobicContact CG2-CB 3.98Å; I100-L257 HydrophobicContact CG2-CD2 4.02Å; I100-L257 HydrophobicContact CG2-CG 4.48Å; V101-L257 HydrophobicContact CG2-CD1 4.25Å; V101-L257 HydrophobicContact CG2-CD2 4.14Å; V105-L257 HydrophobicContact CG2-CD2 3.66Å; C253-L257 WeakPolarHBondContact O-CB 3.45Å; C253-L257 PolarHBondContact O-N 2.97Å; I254-L257 WeakPolarHBondContact O-CB 3.28Å; I254-L257 PolarHBondContact O-N 3.4Å; I255-L257 VanDerWaalsContact C-N 3.34Å; I255-L257 PolarHBondContact O-N 2.96Å; L257-T261 HydrophobicContact CD1-CG2 3.88Å; L257-T261 WeakPolarHBondContact O-CB 3.29Å; L257-T261 VanDerWaalsContact O-CG2 3.3Å; L257-T261 WeakPolarHBondContact O-CG2 3.35Å; L257-T261 PolarHBondContact O-N 3.37Å; L257-T261 PolarHBondContact O-OG1 3.47Å
258	W	98.3	Very high	96.3	Very high	67 Å²	67	47.8 Å²	47.8	25%	0.254	27%	0.274	S	S	.	.	H	α-helix	trans	-66.9	-43.3	-175.4	-170.9	90.2	0	0	0	111.9	S218 F225 I254 I255 F256 T261 S262	S218-W258 VanDerWaalsContact O-CD1 3.31Å; S218-W258 PolarHBondContact O-NE1 3.36Å; S218-W258 VanDerWaalsContact O-NE1 3.1Å; S218-W258 PolarHBondContact OG-NE1 2.97Å; F225-W258 HydrophobicContact CB-CB 3.88Å; F225-W258 HydrophobicContact CB-CD2 4.31Å; F225-W258 HydrophobicContact CB-CG 3.72Å; F225-W258 AromaticContact CD1-CD2 3.81Å; F225-W258 HydrophobicContact CD1-CD2 3.81Å; F225-W258 HydrophobicContact CD1-CE3 4.05Å; F225-W258 HydrophobicContact CD1-CG 4.15Å; F225-W258 HydrophobicContact CD1-CZ2 4.49Å; F225-W258 HydrophobicContact CD1-CZ3 4.48Å; F225-W258 HydrophobicContact CD2-CB 3.78Å; F225-W258 HydrophobicContact CD2-CD2 4Å; F225-W258 AromaticContact CD2-CE3 3.98Å; F225-W258 HydrophobicContact CD2-CE3 3.98Å; F225-W258 AromaticContact CD2-CG 3.92Å; F225-W258 HydrophobicContact CD2-CG 3.92Å; F225-W258 HydrophobicContact CE1-CD2 4.13Å; F225-W258 AromaticContact CE1-CE3 3.89Å; F225-W258 HydrophobicContact CE1-CE3 3.89Å; F225-W258 HydrophobicContact CE1-CH2 4.3Å; F225-W258 AromaticContact CE1-CZ3 3.98Å; F225-W258 HydrophobicContact CE1-CZ3 3.98Å; F225-W258 HydrophobicContact CE2-CD2 4.3Å; F225-W258 AromaticContact CE2-CE3 3.81Å; F225-W258 HydrophobicContact CE2-CE3 3.81Å; F225-W258 HydrophobicContact CE2-CZ3 4.44Å; F225-W258 HydrophobicContact CG-CB 3.91Å; F225-W258 AromaticContact CG-CD2 3.74Å; F225-W258 HydrophobicContact CG-CD2 3.74Å; F225-W258 HydrophobicContact CG-CE3 4.09Å; F225-W258 AromaticContact CG-CG 3.63Å; F225-W258 HydrophobicContact CG-CG 3.63Å; F225-W258 HydrophobicContact CZ-CD2 4.36Å; F225-W258 AromaticContact CZ-CE3 3.77Å; F225-W258 HydrophobicContact CZ-CE3 3.77Å; F225-W258 AromaticContact CZ-CZ3 3.96Å; F225-W258 HydrophobicContact CZ-CZ3 3.96Å; I254-W258 PolarHBondContact O-N 3.32Å; I255-W258 PolarHBondContact O-N 3Å; F256-W258 PolarHBondContact O-N 3.32Å; W258-T261 PolarHBondContact O-OG1 3.5Å; W258-S262 WeakPolarHBondContact O-CB 3.39Å; W258-S262 PolarHBondContact O-N 3.36Å; W258-S262 PolarHBondContact O-OG 3.04Å
259	V	98.1	Very high	96.8	Very high	77 Å²	77	46.3 Å²	46.3	47%	0.467	27%	0.266	S	S	.	.	H	α-helix	trans	-65	-46.2	177.7	172.4	0	0	0	0	111.2	I255 S263	I255-V259 HydrophobicContact CG2-CG2 4.31Å; I255-V259 WeakPolarHBondContact O-CB 3.49Å; I255-V259 VanDerWaalsContact O-CG2 3.31Å; I255-V259 WeakPolarHBondContact O-CG2 3.33Å; I255-V259 PolarHBondContact O-N 3.08Å; V259-S263 WeakPolarHBondContact O-CB 3.32Å; V259-S263 PolarHBondContact O-N 3.06Å; V259-S263 PolarHBondContact O-OG 2.87Å
260	L	98.1	Very high	97.1	Very high	26 Å²	26	44.8 Å²	44.8	14%	0.136	27%	0.265	C	S	.	.	H	α-helix	trans	-62.8	-50.1	178.8	177.3	62.4	0	0	0	111.2	L93 V97 F256 S263 V264	L93-L260 HydrophobicContact CB-CD2 4.45Å; L93-L260 HydrophobicContact CD2-CD1 4.35Å; L93-L260 HydrophobicContact CD2-CD2 4.09Å; V97-L260 HydrophobicContact CG2-CD2 3.67Å; V97-L260 HydrophobicContact CG2-CG 4.48Å; F256-L260 HydrophobicContact CE1-CD2 3.79Å; F256-L260 HydrophobicContact CZ-CD2 3.71Å; F256-L260 WeakPolarHBondContact O-CB 3.38Å; F256-L260 PolarHBondContact O-N 3.38Å; L260-S263 PolarHBondContact O-N 3.28Å; L260-S263 PolarHBondContact O-OG 2.88Å; L260-V264 HydrophobicContact CD1-CG2 3.97Å; L260-V264 WeakPolarHBondContact O-CB 3.46Å; L260-V264 VanDerWaalsContact O-CG2 3.24Å; L260-V264 WeakPolarHBondContact O-CG2 3.45Å; L260-V264 PolarHBondContact O-N 3.31Å
261	T	98.4	Very high	97.3	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-66.9	-39.7	-178.1	53.6	0	0	0	0	112	V97 C214 C217 L257 W258 A265	V97-T261 HydrophobicContact CG1-CG2 4.25Å; V97-T261 HydrophobicContact CG2-CG2 4.19Å; C214-T261 WeakPolarHBondContact CB-O 3.26Å; C217-T261 HydrophobicContact CB-CG2 3.88Å; L257-T261 HydrophobicContact CD1-CG2 3.88Å; L257-T261 WeakPolarHBondContact O-CB 3.29Å; L257-T261 VanDerWaalsContact O-CG2 3.3Å; L257-T261 WeakPolarHBondContact O-CG2 3.35Å; L257-T261 PolarHBondContact O-N 3.37Å; L257-T261 PolarHBondContact O-OG1 3.47Å; W258-T261 PolarHBondContact O-OG1 3.5Å; T261-A265 WeakPolarHBondContact O-CB 3.39Å; T261-A265 PolarHBondContact O-N 3.46Å
262	S	98.3	Very high	97.6	Very high	24 Å²	24	46.3 Å²	46.3	17%	0.168	27%	0.274	C	S	.	.	H	α-helix	trans	-66.9	-43.3	178	-55.8	0	0	0	0	112.2	S218 W258 A265 V266	S218-S262 WeakPolarHBondContact CB-OG 3.39Å; S218-S262 PolarHBondContact OG-OG 3.4Å; W258-S262 WeakPolarHBondContact O-CB 3.39Å; W258-S262 PolarHBondContact O-N 3.36Å; W258-S262 PolarHBondContact O-OG 3.04Å; S262-A265 PolarHBondContact O-N 2.67Å; S262-V266 WeakPolarHBondContact O-CG2 3.37Å; S262-V266 PolarHBondContact O-N 2.81Å
263	S	98.1	Very high	97.8	Very high	66 Å²	66	46.4 Å²	46.4	46%	0.462	28%	0.28	S	S	.	.	H	α-helix	trans	-66.7	-43.4	177.9	57.7	0	0	0	0	112.5	V259 L260 V266 A267	V259-S263 WeakPolarHBondContact O-CB 3.32Å; V259-S263 PolarHBondContact O-N 3.06Å; V259-S263 PolarHBondContact O-OG 2.87Å; L260-S263 PolarHBondContact O-N 3.28Å; L260-S263 PolarHBondContact O-OG 2.88Å; S263-V266 PolarHBondContact O-N 3.38Å; S263-A267 PolarHBondContact O-N 3.19Å
264	V	97.9	Very high	97.9	Very high	40 Å²	40	50.1 Å²	50.1	24%	0.242	29%	0.289	C	S	.	.	H	α-helix	trans	-64.5	-40.2	175.1	173.2	0	0	0	0	111.1	M210 L260 V266 A267 L268	M210-V264 HydrophobicContact CE-CG1 4.25Å; L260-V264 HydrophobicContact CD1-CG2 3.97Å; L260-V264 WeakPolarHBondContact O-CB 3.46Å; L260-V264 VanDerWaalsContact O-CG2 3.24Å; L260-V264 WeakPolarHBondContact O-CG2 3.45Å; L260-V264 PolarHBondContact O-N 3.31Å; V264-V266 VanDerWaalsContact C-N 3.32Å; V264-V266 PolarHBondContact O-N 3.42Å; V264-A267 PolarHBondContact O-N 3.3Å; V264-L268 HydrophobicContact CG1-CB 4.36Å; V264-L268 HydrophobicContact CG1-CD2 4.43Å; V264-L268 WeakPolarHBondContact O-CB 3.28Å; V264-L268 PolarHBondContact O-N 3.2Å
265	A	98.3	Very high	98	Very high	13 Å²	13	49.7 Å²	49.7	11%	0.107	29%	0.287	C	S	.	.	H	α-helix	trans	-57.7	-43.6	176.7	0	0	0	0	0	112	C214 V215 T261 S262 G269	C214-A265 HydrophobicContact CB-CB 3.86Å; V215-A265 HydrophobicContact CG2-CB 3.86Å; T261-A265 WeakPolarHBondContact O-CB 3.39Å; T261-A265 PolarHBondContact O-N 3.46Å; S262-A265 PolarHBondContact O-N 2.67Å; A265-G269 VanDerWaalsContact O-CA 3.24Å; A265-G269 WeakPolarHBondContact O-CA 3.48Å; A265-G269 PolarHBondContact O-N 3.47Å
266	V	98.1	Very high	98.1	Very high	117 Å²	117	49 Å²	49	71%	0.709	29%	0.287	S	S	*	.	H	α-helix	trans	-66.8	-52.4	177.9	173.5	0	0	0	0	111.1	S262 S263 V264 G269 G270	S262-V266 WeakPolarHBondContact O-CG2 3.37Å; S262-V266 PolarHBondContact O-N 2.81Å; S263-V266 PolarHBondContact O-N 3.38Å; V264-V266 VanDerWaalsContact C-N 3.32Å; V264-V266 PolarHBondContact O-N 3.42Å; V266-G269 PolarHBondContact O-N 2.97Å; V266-G270 PolarHBondContact O-N 2.93Å; V266-G270 VanDerWaalsContact O-N 3.08Å
267	A	97	Very high	98.1	Very high	73 Å²	73	48.9 Å²	48.9	60%	0.603	29%	0.286	S	S	*	.	H	α-helix	trans	-63.5	-50.2	-176.5	0	0	0	0	0	112	S263 V264 G270 L271	S263-A267 PolarHBondContact O-N 3.19Å; V264-A267 PolarHBondContact O-N 3.3Å; A267-G270 PolarHBondContact O-N 3.12Å; A267-L271 PolarHBondContact O-N 3.41Å
268	L	97.3	Very high	98.1	Very high	26 Å²	26	48.9 Å²	48.9	14%	0.136	29%	0.286	C	S	.	.	H	α-helix	trans	-74.3	-29.4	-179.2	-166.6	61.1	0	0	0	112.1	C207 M210 V264 L271 T272	C207-L268 HydrophobicContact CB-CD1 4.04Å; C207-L268 HydrophobicContact CB-CG 4.29Å; M210-L268 HydrophobicContact CB-CD2 3.55Å; M210-L268 HydrophobicContact CG-CD2 3.43Å; M210-L268 VanDerWaalsContact CG-CD2 3.43Å; V264-L268 HydrophobicContact CG1-CB 4.36Å; V264-L268 HydrophobicContact CG1-CD2 4.43Å; V264-L268 WeakPolarHBondContact O-CB 3.28Å; V264-L268 PolarHBondContact O-N 3.2Å; L268-L271 HydrophobicContact CD1-CD2 4.05Å; L268-L271 PolarHBondContact O-N 3.32Å; L268-T272 WeakPolarHBondContact O-CB 3.32Å; L268-T272 PolarHBondContact O-N 2.85Å; L268-T272 PolarHBondContact O-OG1 3.37Å
269	G	98.3	Very high	98.1	Very high	13 Å²	13	46 Å²	46	13%	0.134	28%	0.276	C	S	.	.	H	α-helix	trans	-62.6	-44.4	173.4	0	0	0	0	0	111.9	T211 A265 V266 L271 T272 L273	T211-G269 PolarHBondContact OG1-N 2.85Å; A265-G269 VanDerWaalsContact O-CA 3.24Å; A265-G269 WeakPolarHBondContact O-CA 3.48Å; A265-G269 PolarHBondContact O-N 3.47Å; V266-G269 PolarHBondContact O-N 2.97Å; G269-L271 VanDerWaalsContact C-N 3.34Å; G269-L271 PolarHBondContact O-N 3.09Å; G269-T272 PolarHBondContact O-N 2.96Å; G269-L273 WeakPolarHBondContact O-CG 3.29Å; G269-L273 PolarHBondContact O-N 3.17Å
270	G	98.3	Very high	98.1	Very high	43 Å²	43	43.6 Å²	43.6	44%	0.443	26%	0.262	S	S	.	.	H	α-helix	trans	-58.3	-44.2	173.2	0	0	0	0	0	112.7	V266 A267 L273 W274	V266-G270 PolarHBondContact O-N 2.93Å; V266-G270 VanDerWaalsContact O-N 3.08Å; A267-G270 PolarHBondContact O-N 3.12Å; G270-L273 PolarHBondContact O-N 3.08Å; G270-W274 PolarHBondContact O-N 3.37Å
271	L	97.4	Very high	98	Very high	70 Å²	70	47.4 Å²	47.4	37%	0.366	27%	0.274	S	S	.	.	H	α-helix	trans	-63.4	-44	175.4	-176.1	62.5	0	0	0	111.8	F203 A267 L268 G269 L273 W274 H275	F203-L271 HydrophobicContact CZ-CD2 4.27Å; A267-L271 PolarHBondContact O-N 3.41Å; L268-L271 HydrophobicContact CD1-CD2 4.05Å; L268-L271 PolarHBondContact O-N 3.32Å; G269-L271 VanDerWaalsContact C-N 3.34Å; G269-L271 PolarHBondContact O-N 3.09Å; L271-L273 PolarHBondContact O-N 3.45Å; L271-W274 WeakPolarHBondContact O-CB 3.25Å; L271-W274 PolarHBondContact O-N 2.98Å; L271-H275 PolarHBondContact O-CD2 3.12Å; L271-H275 VanDerWaalsContact O-CD2 3.31Å; L271-H275 PolarHBondContact O-N 3.1Å
272	T	98.4	Very high	97.8	Very high	11 Å²	11	47.8 Å²	47.8	7%	0.067	28%	0.279	C	S	.	.	H	α-helix	trans	-60.5	-45.6	178.3	-59.4	0	0	0	0	111.1	F204 C207 L208 L268 G269 W274 H275 A276	F204-T272 HydrophobicContact CE2-CG2 4.12Å; F204-T272 HydrophobicContact CZ-CG2 4.27Å; C207-T272 WeakPolarHBondContact CB-OG1 3.47Å; L208-T272 HydrophobicContact CB-CG2 4.22Å; L208-T272 HydrophobicContact CD1-CG2 4.13Å; L268-T272 WeakPolarHBondContact O-CB 3.32Å; L268-T272 PolarHBondContact O-N 2.85Å; L268-T272 PolarHBondContact O-OG1 3.37Å; G269-T272 PolarHBondContact O-N 2.96Å; T272-W274 VanDerWaalsContact C-N 3.33Å; T272-W274 PolarHBondContact O-N 3.48Å; T272-H275 PolarHBondContact O-N 2.81Å; T272-A276 VanDerWaalsContact O-CB 3.3Å; T272-A276 WeakPolarHBondContact O-CB 3.44Å; T272-A276 PolarHBondContact O-N 2.81Å
273	L	98.6	Very high	97.7	Very high	130 Å²	130	47.5 Å²	47.5	68%	0.681	28%	0.275	S	S	*	.	H	α-helix	trans	-63.3	-38.9	176.7	-70.4	173.8	0	0	0	112.1	G269 G270 L271 A276 K277	G269-L273 WeakPolarHBondContact O-CG 3.29Å; G269-L273 PolarHBondContact O-N 3.17Å; G270-L273 PolarHBondContact O-N 3.08Å; L271-L273 PolarHBondContact O-N 3.45Å; L273-A276 PolarHBondContact O-N 3Å; L273-K277 PolarHBondContact O-N 3.11Å
274	W	98.2	Very high	97.6	Very high	108 Å²	108	44.4 Å²	44.4	41%	0.409	25%	0.253	S	S	.	.	H	α-helix	trans	-60.6	-51.7	174.9	174.4	-98.3	0	0	0	111.8	G270 L271 T272 A276 K277 L278	G270-W274 PolarHBondContact O-N 3.37Å; L271-W274 WeakPolarHBondContact O-CB 3.25Å; L271-W274 PolarHBondContact O-N 2.98Å; T272-W274 VanDerWaalsContact C-N 3.33Å; T272-W274 PolarHBondContact O-N 3.48Å; W274-A276 VanDerWaalsContact C-N 3.32Å; W274-A276 PolarHBondContact O-N 2.9Å; W274-K277 WeakPolarHBondContact O-CB 3.3Å; W274-K277 PolarHBondContact O-N 2.75Å; W274-K277 VanDerWaalsContact O-N 3.16Å; W274-L278 WeakPolarHBondContact O-CG 3.36Å; W274-L278 PolarHBondContact O-N 2.84Å; W274-L278 VanDerWaalsContact O-N 3.13Å
275	H	98.4	Very high	97.6	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.028	25%	0.253	C	S	.	.	H	α-helix	trans	-64.7	-36.6	177.7	-78.5	-81.5	0	0	0	112.1	D185 H186 F203 F204 L271 T272 K277 L278 I279	D185-H275 IonicContact OD2-CE1 3.27Å; D185-H275 PolarHBondContact OD2-CE1 3.21Å; D185-H275 VanDerWaalsContact OD2-CE1 3.27Å; D185-H275 IonicContact OD2-ND1 3.43Å; H186-H275 AromaticContact CE1-CE1 3.85Å; F203-H275 AromaticContact CE1-CD2 3.8Å; F203-H275 AromaticContact CE1-CE1 3.64Å; F203-H275 AromaticContact CE1-ND1 3.95Å; F203-H275 AromaticContact CE1-NE2 3.55Å; F203-H275 AromaticContact CZ-NE2 3.81Å; F204-H275 HydrophobicContact CD2-CB 3.88Å; F204-H275 HydrophobicContact CE2-CB 4.23Å; L271-H275 PolarHBondContact O-CD2 3.12Å; L271-H275 VanDerWaalsContact O-CD2 3.31Å; L271-H275 PolarHBondContact O-N 3.1Å; T272-H275 PolarHBondContact O-N 2.81Å; H275-K277 VanDerWaalsContact C-N 3.25Å; H275-K277 PolarHBondContact O-N 3.38Å; H275-L278 WeakPolarHBondContact O-CB 3.24Å; H275-L278 PolarHBondContact O-N 2.9Å; H275-L278 VanDerWaalsContact O-N 3.1Å; H275-I279 VanDerWaalsContact O-CG1 3.29Å; H275-I279 WeakPolarHBondContact O-CG1 3.35Å; H275-I279 PolarHBondContact O-N 3.31Å
276	A	98.5	Very high	97.4	Very high	20 Å²	20	45.4 Å²	45.4	17%	0.165	26%	0.26	C	S	.	.	H	α-helix	trans	-59.1	-37.9	174.4	0	0	0	0	0	112.1	F204 T272 L273 W274 S280 W317	F204-A276 HydrophobicContact CE2-CB 4.11Å; F204-A276 HydrophobicContact CZ-CB 4.33Å; T272-A276 VanDerWaalsContact O-CB 3.3Å; T272-A276 WeakPolarHBondContact O-CB 3.44Å; T272-A276 PolarHBondContact O-N 2.81Å; L273-A276 PolarHBondContact O-N 3Å; W274-A276 VanDerWaalsContact C-N 3.32Å; W274-A276 PolarHBondContact O-N 2.9Å; A276-S280 VanDerWaalsContact O-CB 3.28Å; A276-S280 WeakPolarHBondContact O-CB 3.32Å; A276-S280 PolarHBondContact O-N 3.42Å; A276-S280 PolarHBondContact O-OG 2.9Å; A276-W317 HydrophobicContact CB-CH2 3.86Å; A276-W317 HydrophobicContact CB-CZ2 3.77Å; A276-W317 WeakPolarHBondContact O-CZ2 3.43Å
277	K	98.3	Very high	97.3	Very high	93 Å²	93	40.3 Å²	40.3	40%	0.404	23%	0.228	S	C	.	.	H	α-helix	trans	-66.5	-41.5	173.9	-179	176.7	179.2	170.8	0	112.3	L273 W274 H275 R281	L273-K277 PolarHBondContact O-N 3.11Å; W274-K277 WeakPolarHBondContact O-CB 3.3Å; W274-K277 PolarHBondContact O-N 2.75Å; W274-K277 VanDerWaalsContact O-N 3.16Å; H275-K277 VanDerWaalsContact C-N 3.25Å; H275-K277 PolarHBondContact O-N 3.38Å; K277-R281 VanDerWaalsContact CE-CZ 3.42Å; K277-R281 VanDerWaalsContact CE-NH2 3.33Å; K277-R281 WeakPolarHBondContact O-CG 3.21Å; K277-R281 PolarHBondContact O-N 3.36Å
278	L	98	Very high	97.2	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-63.8	-49.2	176.9	-64.5	-179.8	0	0	0	111.5	W274 H275 S280 R281 G282 E283 S285 R288	W274-L278 WeakPolarHBondContact O-CG 3.36Å; W274-L278 PolarHBondContact O-N 2.84Å; W274-L278 VanDerWaalsContact O-N 3.13Å; H275-L278 WeakPolarHBondContact O-CB 3.24Å; H275-L278 PolarHBondContact O-N 2.9Å; H275-L278 VanDerWaalsContact O-N 3.1Å; L278-S280 VanDerWaalsContact C-N 3.32Å; L278-S280 PolarHBondContact O-N 2.88Å; L278-R281 CarbonylContact O-C 3.3Å; L278-R281 WeakPolarHBondContact O-CA 3.3Å; L278-R281 WeakPolarHBondContact O-CB 3.24Å; L278-R281 PolarHBondContact O-N 2.88Å; L278-G282 PolarHBondContact O-N 2.83Å; L278-E283 CarbonylContact C-O 3.59Å; L278-E283 HydrophobicContact CB-CG 4.42Å; L278-E283 WeakPolarHBondContact CB-O 3.38Å; L278-E283 HydrophobicContact CD2-CG 3.98Å; L278-E283 PolarHBondContact O-N 3.4Å; L278-E283 VanDerWaalsContact O-N 3.16Å; L278-S285 VanDerWaalsContact CD1-OG 3.3Å; L278-S285 WeakPolarHBondContact CD1-OG 3.2Å; L278-R288 HydrophobicContact CD2-CB 3.92Å; L278-R288 HydrophobicContact CD2-CG 4.26Å
279	I	97.9	Very high	97	Very high	8 Å²	8	44.5 Å²	44.5	4%	0.041	23%	0.232	C	C	.	.	H	α-helix	trans	-59.3	-45.7	177	-64.2	161.1	0	0	0	110	F204 H275 R281 G282 N316 W317 F320	F204-I279 HydrophobicContact CB-CD1 4.35Å; F204-I279 HydrophobicContact CD1-CD1 4.34Å; F204-I279 HydrophobicContact CD2-CD1 3.51Å; F204-I279 HydrophobicContact CE2-CD1 3.89Å; F204-I279 HydrophobicContact CG-CD1 3.77Å; F204-I279 HydrophobicContact CZ-CD1 4.47Å; H275-I279 VanDerWaalsContact O-CG1 3.29Å; H275-I279 WeakPolarHBondContact O-CG1 3.35Å; H275-I279 PolarHBondContact O-N 3.31Å; I279-R281 PolarHBondContact O-N 3.41Å; I279-R281 VanDerWaalsContact O-N 3.08Å; I279-G282 PolarHBondContact O-N 3.46Å; I279-N316 WeakPolarHBondContact O-CB 3.3Å; I279-W317 HydrophobicContact CB-CE3 4.5Å; I279-W317 HydrophobicContact CB-CH2 4.13Å; I279-W317 HydrophobicContact CB-CZ2 4.15Å; I279-W317 HydrophobicContact CB-CZ3 4.3Å; I279-W317 HydrophobicContact CD1-CH2 3.85Å; I279-W317 HydrophobicContact CD1-CZ3 3.81Å; I279-W317 HydrophobicContact CG2-CD2 3.67Å; I279-W317 HydrophobicContact CG2-CE3 3.62Å; I279-W317 HydrophobicContact CG2-CG 4.28Å; I279-W317 HydrophobicContact CG2-CH2 4.12Å; I279-W317 HydrophobicContact CG2-CZ2 4.15Å; I279-W317 HydrophobicContact CG2-CZ3 3.86Å; I279-F320 HydrophobicContact CD1-CD1 4Å; I279-F320 HydrophobicContact CD1-CD2 4.16Å; I279-F320 HydrophobicContact CD1-CE1 3.64Å; I279-F320 HydrophobicContact CD1-CE2 3.81Å; I279-F320 HydrophobicContact CD1-CG 4.24Å; I279-F320 HydrophobicContact CD1-CZ 3.53Å; I279-F320 HydrophobicContact CG1-CD2 3.95Å; I279-F320 HydrophobicContact CG1-CE1 4.46Å; I279-F320 HydrophobicContact CG1-CE2 3.87Å; I279-F320 HydrophobicContact CG1-CG 4.27Å; I279-F320 HydrophobicContact CG1-CZ 4.14Å; I279-F320 HydrophobicContact CG2-CB 3.81Å; I279-F320 HydrophobicContact CG2-CD1 4.22Å; I279-F320 HydrophobicContact CG2-CD2 4.14Å; I279-F320 HydrophobicContact CG2-CG 3.79Å
280	S	97.9	Very high	96.7	Very high	26 Å²	26	47.2 Å²	47.2	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-58.1	-26.5	176.4	-62.5	0	0	0	0	112.9	A276 L278 H310 N316 W317	A276-S280 VanDerWaalsContact O-CB 3.28Å; A276-S280 WeakPolarHBondContact O-CB 3.32Å; A276-S280 PolarHBondContact O-N 3.42Å; A276-S280 PolarHBondContact O-OG 2.9Å; L278-S280 VanDerWaalsContact C-N 3.32Å; L278-S280 PolarHBondContact O-N 2.88Å; S280-H310 PolarHBondContact O-CE1 3Å; S280-H310 VanDerWaalsContact O-CE1 3.25Å; S280-N316 PolarHBondContact O-ND2 2.91Å; S280-W317 PolarHBondContact OG-NE1 2.95Å
281	R	95.7	Very high	96.5	Very high	105 Å²	105	46 Å²	46	40%	0.396	23%	0.227	S	C	.	.	H	α-helix	trans	-93.1	-7.7	176.7	-72	174.2	176.3	-166.1	-7.8	113.9	K277 L278 I279 E283 N307 H310	K277-R281 VanDerWaalsContact CE-CZ 3.42Å; K277-R281 VanDerWaalsContact CE-NH2 3.33Å; K277-R281 WeakPolarHBondContact O-CG 3.21Å; K277-R281 PolarHBondContact O-N 3.36Å; L278-R281 CarbonylContact O-C 3.3Å; L278-R281 WeakPolarHBondContact O-CA 3.3Å; L278-R281 WeakPolarHBondContact O-CB 3.24Å; L278-R281 PolarHBondContact O-N 2.88Å; I279-R281 PolarHBondContact O-N 3.41Å; I279-R281 VanDerWaalsContact O-N 3.08Å; R281-E283 VanDerWaalsContact C-N 3.3Å; R281-E283 HydrophobicContact CB-CG 3.87Å; R281-E283 VanDerWaalsContact CD-OE1 3.24Å; R281-E283 WeakPolarHBondContact CD-OE1 3.3Å; R281-E283 IonicContact NH1-OE1 3.81Å; R281-N307 PolarHBondContact O-ND2 2.63Å; R281-H310 VanDerWaalsContact C-ND1 3.35Å; R281-H310 PolarHBondContact O-ND1 3.5Å
282	G	95	Very high	96.2	Very high	11 Å²	11	45.5 Å²	45.5	11%	0.113	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	16.1	-178.9	0	0	0	0	0	113.7	R170 L278 I279 N316	R170-G282 PolarHBondContact NH2-O 3.44Å; L278-G282 PolarHBondContact O-N 2.83Å; I279-G282 PolarHBondContact O-N 3.46Å; G282-N316 PolarHBondContact N-ND2 2.8Å
283	E	95.5	Very high	95.9	Very high	17 Å²	17	51 Å²	51	8%	0.079	25%	0.251	C	S	.	.			trans	-114.5	152.3	-176	63.9	-171.1	-179.2	0	0	111.8	L278 R281 E287 R288 N291	L278-E283 CarbonylContact C-O 3.59Å; L278-E283 HydrophobicContact CB-CG 4.42Å; L278-E283 WeakPolarHBondContact CB-O 3.38Å; L278-E283 HydrophobicContact CD2-CG 3.98Å; L278-E283 PolarHBondContact O-N 3.4Å; L278-E283 VanDerWaalsContact O-N 3.16Å; R281-E283 VanDerWaalsContact C-N 3.3Å; R281-E283 HydrophobicContact CB-CG 3.87Å; R281-E283 VanDerWaalsContact CD-OE1 3.24Å; R281-E283 WeakPolarHBondContact CD-OE1 3.3Å; R281-E283 IonicContact NH1-OE1 3.81Å; E283-E287 WeakPolarHBondContact CA-OE2 3.45Å; E283-E287 HydrophobicContact CB-CB 4.06Å; E283-R288 HydrophobicContact CG-CB 4.29Å; E283-N291 PolarHBondContact OE2-ND2 3.06Å
284	T	97.1	Very high	95.5	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	23%	0.231	C	C	.	.			trans	-86.7	171.1	163.7	70.9	0	0	0	0	111.2	K183 M184 D185 V286 E287 R288	K183-T284 HydrophobicContact CG-CG2 3.99Å; M184-T284 PolarHBondContact O-OG1 2.99Å; D185-T284 VanDerWaalsContact OD1-CA 3.22Å; D185-T284 WeakPolarHBondContact OD1-CA 3.36Å; D185-T284 WeakPolarHBondContact OD1-CB 3.27Å; T284-V286 VanDerWaalsContact C-N 3.3Å; T284-V286 PolarHBondContact O-N 3.38Å; T284-E287 PolarHBondContact N-OE2 3.04Å; T284-E287 PolarHBondContact O-N 3.36Å; T284-E287 VanDerWaalsContact OG1-CG 3.32Å; T284-E287 WeakPolarHBondContact OG1-CG 3.39Å; T284-E287 PolarHBondContact OG1-N 3.5Å; T284-R288 PolarHBondContact O-N 3.18Å
285	S	96.4	Very high	95.1	Very high	34 Å²	34	43.9 Å²	43.9	24%	0.238	23%	0.225	C	C	.	.	H	α-helix	trans	-57.2	-42.2	174.7	-60.5	0	0	0	0	112.2	D185 L278 H289	D185-S285 PolarHBondContact OD1-N 3.32Å; D185-S285 PolarHBondContact OD1-OG 2.99Å; D185-S285 WeakPolarHBondContact OD2-CB 3.19Å; D185-S285 PolarHBondContact OD2-OG 3.38Å; L278-S285 VanDerWaalsContact CD1-OG 3.3Å; L278-S285 WeakPolarHBondContact CD1-OG 3.2Å; S285-H289 PolarHBondContact O-N 3.35Å
286	V	95.6	Very high	94.8	Very high	41 Å²	41	52.6 Å²	52.6	25%	0.248	26%	0.257	C	S	.	.	H	α-helix	trans	-66.2	-45.7	175.8	174.1	0	0	0	0	111	H172 D185 T284 R288 H289 I290	H172-V286 WeakPolarHBondContact CE1-CG1 3.22Å; H172-V286 WeakPolarHBondContact NE2-CG1 3.44Å; D185-V286 WeakPolarHBondContact O-CG2 3.22Å; T284-V286 VanDerWaalsContact C-N 3.3Å; T284-V286 PolarHBondContact O-N 3.38Å; V286-R288 VanDerWaalsContact C-N 3.29Å; V286-R288 PolarHBondContact O-N 2.97Å; V286-H289 WeakPolarHBondContact O-CB 3.49Å; V286-H289 PolarHBondContact O-N 3.39Å; V286-H289 VanDerWaalsContact O-N 3.12Å; V286-I290 HydrophobicContact CG1-CD1 3.85Å; V286-I290 PolarHBondContact O-N 3.15Å; V286-I290 VanDerWaalsContact O-N 3.16Å
287	E	95.1	Very high	94.4	Very high	10 Å²	10	58 Å²	58	5%	0.047	27%	0.273	C	S	.	.	H	α-helix	trans	-63.9	-36.5	-179.6	-73	168.4	170.3	0	0	112.1	R170 E283 T284 H289 I290 N291	R170-E287 WeakPolarHBondContact CB-OE1 3.13Å; R170-E287 WeakPolarHBondContact CD-OE1 3.24Å; R170-E287 WeakPolarHBondContact CG-OE1 3.34Å; R170-E287 IonicContact CZ-OE1 3.49Å; R170-E287 IonicContact CZ-OE2 3.78Å; R170-E287 IonicContact NE-OE1 3.47Å; R170-E287 PolarHBondContact NE-OE1 3.33Å; R170-E287 IonicContact NE-OE2 3.94Å; R170-E287 PolarHBondContact NE-OE2 3.3Å; R170-E287 IonicContact NH2-OE1 2.68Å; R170-E287 PolarHBondContact NH2-OE1 3.03Å; R170-E287 IonicContact NH2-OE2 3.19Å; R170-E287 PolarHBondContact NH2-OE2 3.24Å; E283-E287 WeakPolarHBondContact CA-OE2 3.45Å; E283-E287 HydrophobicContact CB-CB 4.06Å; T284-E287 PolarHBondContact N-OE2 3.04Å; T284-E287 PolarHBondContact O-N 3.36Å; T284-E287 VanDerWaalsContact OG1-CG 3.32Å; T284-E287 WeakPolarHBondContact OG1-CG 3.39Å; T284-E287 PolarHBondContact OG1-N 3.5Å; E287-H289 VanDerWaalsContact C-N 3.25Å; E287-H289 PolarHBondContact O-N 2.86Å; E287-I290 CarbonylContact O-C 3.17Å; E287-I290 PolarHBondContact O-N 3.11Å; E287-I290 VanDerWaalsContact O-N 3.12Å; E287-N291 WeakPolarHBondContact O-CB 3.45Å; E287-N291 PolarHBondContact O-N 3.33Å; E287-N291 PolarHBondContact O-ND2 2.87Å; E287-N291 PolarHBondContact O-OD1 3.38Å
288	R	95.6	Very high	93.9	Very high	47 Å²	47	54.1 Å²	54.1	18%	0.177	26%	0.257	C	S	.	.	H	α-helix	trans	-57	-42	174.1	177.5	167.7	173.1	-177.3	-10.8	111.9	L278 E283 T284 V286 C292	L278-R288 HydrophobicContact CD2-CB 3.92Å; L278-R288 HydrophobicContact CD2-CG 4.26Å; E283-R288 HydrophobicContact CG-CB 4.29Å; T284-R288 PolarHBondContact O-N 3.18Å; V286-R288 VanDerWaalsContact C-N 3.29Å; V286-R288 PolarHBondContact O-N 2.97Å; R288-C292 VanDerWaalsContact O-CB 3.25Å; R288-C292 WeakPolarHBondContact O-CB 3.43Å; R288-C292 PolarHBondContact O-N 2.89Å; R288-C292 PolarHBondContact O-SG 3.23Å
289	H	93.3	Very high	93.6	Very high	140 Å²	140	61 Å²	61	65%	0.648	29%	0.289	S	S	*	.	H	α-helix	trans	-64.2	-44	177	-174.9	81.5	0	0	0	111.4	S285 V286 E287 C292 K293	S285-H289 PolarHBondContact O-N 3.35Å; V286-H289 WeakPolarHBondContact O-CB 3.49Å; V286-H289 PolarHBondContact O-N 3.39Å; V286-H289 VanDerWaalsContact O-N 3.12Å; E287-H289 VanDerWaalsContact C-N 3.25Å; E287-H289 PolarHBondContact O-N 2.86Å; H289-C292 PolarHBondContact O-N 3.34Å; H289-K293 PolarHBondContact O-N 3.29Å
290	I	91.5	Very high	93.2	Very high	69 Å²	69	65.1 Å²	65.1	35%	0.354	32%	0.318	S	S	.	.	H	α-helix	trans	-63.5	-51.7	177.9	-64.2	168.2	0	0	0	110.7	V286 E287 C292 K293 E294	V286-I290 HydrophobicContact CG1-CD1 3.85Å; V286-I290 PolarHBondContact O-N 3.15Å; V286-I290 VanDerWaalsContact O-N 3.16Å; E287-I290 CarbonylContact O-C 3.17Å; E287-I290 PolarHBondContact O-N 3.11Å; E287-I290 VanDerWaalsContact O-N 3.12Å; I290-C292 VanDerWaalsContact C-N 3.31Å; I290-C292 PolarHBondContact O-N 2.97Å; I290-K293 WeakPolarHBondContact O-CB 3.39Å; I290-K293 PolarHBondContact O-N 2.93Å; I290-K293 VanDerWaalsContact O-N 3.07Å; I290-E294 HydrophobicContact CG2-CG 4.36Å; I290-E294 WeakPolarHBondContact O-CG 3.36Å; I290-E294 PolarHBondContact O-N 3.49Å
291	N	93.4	Very high	92.8	Very high	19 Å²	19	68.8 Å²	68.8	10%	0.102	34%	0.336	C	S	.	.	H	α-helix	trans	-56.9	-42.8	177.6	-69.4	-9.4	0	0	0	111.2	E283 E287 E294 A295 F305	E283-N291 PolarHBondContact OE2-ND2 3.06Å; E287-N291 WeakPolarHBondContact O-CB 3.45Å; E287-N291 PolarHBondContact O-N 3.33Å; E287-N291 PolarHBondContact O-ND2 2.87Å; E287-N291 PolarHBondContact O-OD1 3.38Å; N291-E294 PolarHBondContact O-N 2.94Å; N291-A295 WeakPolarHBondContact O-CB 3.23Å; N291-A295 PolarHBondContact O-N 3.45Å; N291-F305 HydrophobicContact CB-CD1 4.47Å; N291-F305 HydrophobicContact CB-CE1 3.56Å; N291-F305 HydrophobicContact CB-CZ 3.91Å; N291-F305 VanDerWaalsContact OD1-CZ 3.28Å; N291-F305 WeakPolarHBondContact OD1-CZ 3.46Å
292	C	92.6	Very high	92.5	Very high	59 Å²	59	66.4 Å²	66.4	40%	0.399	35%	0.345	S	S	.	.	H	α-helix	trans	-64.4	-39.4	175.8	-78.3	0	0	0	0	112.5	R288 H289 I290 R296	R288-C292 VanDerWaalsContact O-CB 3.25Å; R288-C292 WeakPolarHBondContact O-CB 3.43Å; R288-C292 PolarHBondContact O-N 2.89Å; R288-C292 PolarHBondContact O-SG 3.23Å; H289-C292 PolarHBondContact O-N 3.34Å; I290-C292 VanDerWaalsContact C-N 3.31Å; I290-C292 PolarHBondContact O-N 2.97Å; C292-R296 WeakPolarHBondContact O-CG 3.3Å; C292-R296 PolarHBondContact O-N 3.28Å
293	K	90.8	Very high	92.3	Very high	127 Å²	127	69.5 Å²	69.5	55%	0.552	36%	0.355	S	S	*	.	H	α-helix	trans	-67.5	-45.7	176.5	-172.7	175.3	-179.2	173.7	0	111.2	H289 I290 R296 R297	H289-K293 PolarHBondContact O-N 3.29Å; I290-K293 WeakPolarHBondContact O-CB 3.39Å; I290-K293 PolarHBondContact O-N 2.93Å; I290-K293 VanDerWaalsContact O-N 3.07Å; K293-R296 PolarHBondContact O-N 3.17Å; K293-R297 PolarHBondContact O-N 3.38Å; K293-R297 VanDerWaalsContact O-N 3.09Å
294	E	90.1	Very high	92	Very high	54 Å²	54	73.1 Å²	73.1	25%	0.252	38%	0.378	S	S	.	.	H	α-helix	trans	-65.6	-39.6	177.9	-70.9	-53.2	117.7	0	0	112.4	I290 N291 R296 R297 L298 F305	I290-E294 HydrophobicContact CG2-CG 4.36Å; I290-E294 WeakPolarHBondContact O-CG 3.36Å; I290-E294 PolarHBondContact O-N 3.49Å; N291-E294 PolarHBondContact O-N 2.94Å; E294-R296 VanDerWaalsContact C-N 3.34Å; E294-R296 PolarHBondContact O-N 3.36Å; E294-R297 PolarHBondContact O-N 3.29Å; E294-R297 IonicContact OE1-NE 2.84Å; E294-R297 IonicContact OE2-CZ 2.71Å; E294-R297 IonicContact OE2-NE 2.65Å; E294-R297 PolarHBondContact OE2-NE 3.35Å; E294-R297 IonicContact OE2-NH2 3.62Å; E294-R297 PolarHBondContact OE2-NH2 2.77Å; E294-L298 WeakPolarHBondContact O-CB 3.35Å; E294-L298 WeakPolarHBondContact O-CG 3.48Å; E294-L298 PolarHBondContact O-N 3.1Å; E294-F305 HydrophobicContact CB-CD2 4.19Å; E294-F305 HydrophobicContact CB-CE2 4.26Å
295	A	90.9	Very high	91.6	Very high	34 Å²	34	75.5 Å²	75.5	28%	0.281	39%	0.388	S	S	.	.	H	α-helix	trans	-59	-43.8	174.8	0	0	0	0	0	112.3	N291 L298 Q299 F305	N291-A295 WeakPolarHBondContact O-CB 3.23Å; N291-A295 PolarHBondContact O-N 3.45Å; A295-L298 PolarHBondContact O-N 3.28Å; A295-Q299 VanDerWaalsContact O-CB 3.27Å; A295-Q299 WeakPolarHBondContact O-CB 3.18Å; A295-Q299 PolarHBondContact O-N 3.4Å; A295-F305 HydrophobicContact CB-CB 3.85Å; A295-F305 HydrophobicContact CB-CD1 4.22Å; A295-F305 HydrophobicContact CB-CG 4.25Å
296	R	90.9	Very high	91.3	Very high	189 Å²	189	79.4 Å²	79.4	71%	0.713	40%	0.398	S	S	*	.	H	α-helix	trans	-64.3	-41.4	175.7	-68.9	176.7	-168.1	-171	3	111.9	C292 K293 E294 Q299 S300	C292-R296 WeakPolarHBondContact O-CG 3.3Å; C292-R296 PolarHBondContact O-N 3.28Å; K293-R296 PolarHBondContact O-N 3.17Å; E294-R296 VanDerWaalsContact C-N 3.34Å; E294-R296 PolarHBondContact O-N 3.36Å; R296-Q299 PolarHBondContact O-N 3.05Å; R296-S300 PolarHBondContact O-N 2.9Å; R296-S300 VanDerWaalsContact O-N 3.15Å
297	R	89.8	Confident	91	Very high	133 Å²	133	78.8 Å²	78.8	50%	0.502	39%	0.393	S	S	.	.	H	α-helix	trans	-65.4	-37.6	177.9	-172.7	-177.6	73.3	93.6	0.2	112.7	K293 E294 S300	K293-R297 PolarHBondContact O-N 3.38Å; K293-R297 VanDerWaalsContact O-N 3.09Å; E294-R297 PolarHBondContact O-N 3.29Å; E294-R297 IonicContact OE1-NE 2.84Å; E294-R297 IonicContact OE2-CZ 2.71Å; E294-R297 IonicContact OE2-NE 2.65Å; E294-R297 PolarHBondContact OE2-NE 3.35Å; E294-R297 IonicContact OE2-NH2 3.62Å; E294-R297 PolarHBondContact OE2-NH2 2.77Å; R297-S300 PolarHBondContact O-OG 3.08Å
298	L	89.9	Confident	90.8	Very high	12 Å²	12	80.5 Å²	80.5	6%	0.063	41%	0.405	C	S	.	.	H	α-helix	trans	-75.4	-37.9	177.3	-74.1	172.7	0	0	0	111.3	E294 A295 S300 N301 G302 K303 F305	E294-L298 WeakPolarHBondContact O-CB 3.35Å; E294-L298 WeakPolarHBondContact O-CG 3.48Å; E294-L298 PolarHBondContact O-N 3.1Å; A295-L298 PolarHBondContact O-N 3.28Å; L298-S300 VanDerWaalsContact C-N 3.32Å; L298-S300 PolarHBondContact O-N 3.04Å; L298-N301 CarbonylContact O-C 3.22Å; L298-N301 WeakPolarHBondContact O-CA 3.33Å; L298-N301 WeakPolarHBondContact O-CB 3.49Å; L298-N301 PolarHBondContact O-N 3.4Å; L298-G302 PolarHBondContact O-N 3.3Å; L298-K303 CarbonylContact C-O 3.55Å; L298-K303 HydrophobicContact CB-CB 4.02Å; L298-K303 HydrophobicContact CD2-CB 4.01Å; L298-K303 HydrophobicContact CD2-CD 4.1Å; L298-K303 PolarHBondContact O-N 3.16Å; L298-F305 HydrophobicContact CD1-CB 3.79Å; L298-F305 HydrophobicContact CD1-CD2 3.9Å; L298-F305 HydrophobicContact CD1-CG 4.35Å
299	Q	90.8	Very high	90.6	Very high	146 Å²	146	79.6 Å²	79.6	68%	0.682	40%	0.402	S	S	*	.	H	α-helix	trans	-61.2	-38.9	176.8	-172.7	176.4	24.9	0	0	112.3	A295 R296 N301 G302 K303	A295-Q299 VanDerWaalsContact O-CB 3.27Å; A295-Q299 WeakPolarHBondContact O-CB 3.18Å; A295-Q299 PolarHBondContact O-N 3.4Å; R296-Q299 PolarHBondContact O-N 3.05Å; Q299-N301 PolarHBondContact O-N 3.43Å; Q299-N301 VanDerWaalsContact O-N 3.16Å; Q299-G302 PolarHBondContact O-N 2.94Å; Q299-K303 PolarHBondContact N-O 3.05Å
300	S	89.5	Confident	90.6	Very high	93 Å²	93	76.4 Å²	76.4	65%	0.65	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.3	174	63.5	0	0	0	0	113.3	R296 R297 L298	R296-S300 PolarHBondContact O-N 2.9Å; R296-S300 VanDerWaalsContact O-N 3.15Å; R297-S300 PolarHBondContact O-OG 3.08Å; L298-S300 VanDerWaalsContact C-N 3.32Å; L298-S300 PolarHBondContact O-N 3.04Å
301	N	89.1	Confident	90.6	Very high	103 Å²	103	75.8 Å²	75.8	55%	0.551	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	13.2	178	-61.5	-5.8	0	0	0	112.2	L298 Q299 K303	L298-N301 CarbonylContact O-C 3.22Å; L298-N301 WeakPolarHBondContact O-CA 3.33Å; L298-N301 WeakPolarHBondContact O-CB 3.49Å; L298-N301 PolarHBondContact O-N 3.4Å; Q299-N301 PolarHBondContact O-N 3.43Å; Q299-N301 VanDerWaalsContact O-N 3.16Å; N301-K303 PolarHBondContact O-N 2.91Å
302	G	90.1	Very high	90.6	Very high	56 Å²	56	76 Å²	76	58%	0.577	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	15.1	-178.7	0	0	0	0	0	114.9	L298 Q299 M358	L298-G302 PolarHBondContact O-N 3.3Å; Q299-G302 PolarHBondContact O-N 2.94Å; G302-M358 WeakPolarHBondContact O-CE 3.16Å
303	K	89.9	Confident	90.8	Very high	76 Å²	76	82.3 Å²	82.3	33%	0.33	41%	0.405	S	S	.	.			trans	-104.3	153.7	-179.8	-65.5	-173.5	179.8	-171.9	0	111.6	L298 Q299 N301 I360	L298-K303 CarbonylContact C-O 3.55Å; L298-K303 HydrophobicContact CB-CB 4.02Å; L298-K303 HydrophobicContact CD2-CB 4.01Å; L298-K303 HydrophobicContact CD2-CD 4.1Å; L298-K303 PolarHBondContact O-N 3.16Å; Q299-K303 PolarHBondContact N-O 3.05Å; N301-K303 PolarHBondContact O-N 2.91Å; K303-I360 HydrophobicContact CD-CD1 4.03Å
304	V	89.8	Confident	91	Very high	92 Å²	92	81.2 Å²	81.2	56%	0.558	40%	0.404	S	S	*	.	B	Isolated β-bridge	trans	-106.6	123.2	178.1	-178.9	0	0	0	0	109.7	M358	V304-M358 PolarHBondContact N-O 3.05Å
305	F	89.8	Confident	91.2	Very high	51 Å²	51	82.3 Å²	82.3	22%	0.224	41%	0.412	C	S	.	.			trans	-72.4	130.6	173.4	176.2	-104.7	0	0	0	111	N291 E294 A295 L298 N307	N291-F305 HydrophobicContact CB-CD1 4.47Å; N291-F305 HydrophobicContact CB-CE1 3.56Å; N291-F305 HydrophobicContact CB-CZ 3.91Å; N291-F305 VanDerWaalsContact OD1-CZ 3.28Å; N291-F305 WeakPolarHBondContact OD1-CZ 3.46Å; E294-F305 HydrophobicContact CB-CD2 4.19Å; E294-F305 HydrophobicContact CB-CE2 4.26Å; A295-F305 HydrophobicContact CB-CB 3.85Å; A295-F305 HydrophobicContact CB-CD1 4.22Å; A295-F305 HydrophobicContact CB-CG 4.25Å; L298-F305 HydrophobicContact CD1-CB 3.79Å; L298-F305 HydrophobicContact CD1-CD2 3.9Å; L298-F305 HydrophobicContact CD1-CG 4.35Å; F305-N307 HydrophobicContact CE1-CB 4.25Å
306	R	88.2	Confident	91.4	Very high	116 Å²	116	81.1 Å²	81.1	44%	0.438	40%	0.401	S	S	.	.			trans	-116.2	130.6	167.9	-70.5	-170	179	148.4	8.5	109.8	P308 D356 A359	R306-P308 VanDerWaalsContact O-CD 3.23Å; R306-P308 WeakPolarHBondContact O-CD 3.48Å; R306-D356 IonicContact CZ-OD2 3.9Å; R306-D356 IonicContact NH1-OD2 2.85Å; R306-D356 IonicContact NH2-OD2 3.58Å; R306-D356 PolarHBondContact NH2-OD2 3Å; R306-A359 HydrophobicContact CG-CB 4.24Å
307	N	90.7	Very high	91.7	Very high	28 Å²	28	74.3 Å²	74.3	15%	0.15	38%	0.375	C	S	.	.			trans	-66.7	116	176.4	177.9	6.9	0	0	0	109.7	R281 F305 Y309 H310	R281-N307 PolarHBondContact O-ND2 2.63Å; F305-N307 HydrophobicContact CE1-CB 4.25Å; N307-Y309 PolarHBondContact O-N 2.96Å; N307-Y309 VanDerWaalsContact O-N 3.14Å; N307-Y309 PolarHBondContact OD1-N 2.71Å; N307-H310 HydrophobicContact CB-CB 4.08Å; N307-H310 WeakPolarHBondContact O-CB 3.35Å; N307-H310 PolarHBondContact O-N 3.29Å
308	P	89.9	Confident	92	Very high	46 Å²	46	71.6 Å²	71.6	30%	0.299	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-12.6	-176.6	28.3	-36.3	0	0	0	113.8	R306 P351	R306-P308 VanDerWaalsContact O-CD 3.23Å; R306-P308 WeakPolarHBondContact O-CD 3.48Å; P308-P351 WeakPolarHBondContact O-CD 3.37Å
309	Y	91.5	Very high	92.3	Very high	29 Å²	29	75.1 Å²	75.1	11%	0.114	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	14.2	179.5	-53.2	-65.3	0	0	0	113	R170 N307 H311 W348	R170-Y309 HydrophobicContact CG-CD2 4.36Å; R170-Y309 HydrophobicContact CG-CE1 4.37Å; R170-Y309 HydrophobicContact CG-CE2 3.78Å; N307-Y309 PolarHBondContact O-N 2.96Å; N307-Y309 VanDerWaalsContact O-N 3.14Å; N307-Y309 PolarHBondContact OD1-N 2.71Å; Y309-H311 PolarHBondContact O-CD2 2.94Å; Y309-H311 VanDerWaalsContact O-CD2 3.29Å; Y309-W348 HydrophobicContact CD1-CB 4.11Å; Y309-W348 HydrophobicContact CE1-CB 3.63Å; Y309-W348 HydrophobicContact CE1-CG 4.1Å
310	H	93.1	Very high	92.5	Very high	73 Å²	73	69 Å²	69	34%	0.338	36%	0.357	S	S	.	.			trans	-91	106.9	176.8	-171	70.7	0	0	0	111.2	S280 R281 N307 N316	S280-H310 PolarHBondContact O-CE1 3Å; S280-H310 VanDerWaalsContact O-CE1 3.25Å; R281-H310 VanDerWaalsContact C-ND1 3.35Å; R281-H310 PolarHBondContact O-ND1 3.5Å; N307-H310 HydrophobicContact CB-CB 4.08Å; N307-H310 WeakPolarHBondContact O-CB 3.35Å; N307-H310 PolarHBondContact O-N 3.29Å; H310-N316 PolarHBondContact CE1-ND2 2.7Å; H310-N316 VanDerWaalsContact CE1-ND2 3.35Å; H310-N316 PolarHBondContact ND1-ND2 2.96Å
311	H	92	Very high	92.8	Very high	55 Å²	55	64.9 Å²	64.9	26%	0.255	33%	0.327	S	S	.	.			trans	-98.2	11.9	179.6	-59.3	-93.7	0	0	0	113.4	Y309 N315 N316 L319 D349	Y309-H311 PolarHBondContact O-CD2 2.94Å; Y309-H311 VanDerWaalsContact O-CD2 3.29Å; H311-N315 HydrophobicContact CB-CB 3.97Å; H311-N315 VanDerWaalsContact O-CB 3.3Å; H311-N315 WeakPolarHBondContact O-CB 3.15Å; H311-N315 PolarHBondContact O-ND2 2.94Å; H311-N316 PolarHBondContact N-OD1 3.45Å; H311-L319 HydrophobicContact CB-CD1 4.26Å; H311-D349 PolarHBondContact CE1-O 3.35Å; H311-D349 VanDerWaalsContact CE1-O 3.28Å; H311-D349 PolarHBondContact NE2-O 3.17Å
312	G	94.1	Very high	93.1	Very high	25 Å²	25	60 Å²	60	26%	0.258	30%	0.302	S	S	.	.			trans	92.3	149.2	-168	0	0	0	0	0	112.3	L314 N315 N316	G312-L314 PolarHBondContact O-N 2.79Å; G312-N315 PolarHBondContact O-N 2.79Å; G312-N316 PolarHBondContact O-N 2.92Å; G312-N316 PolarHBondContact O-ND2 3.36Å; G312-N316 PolarHBondContact O-OD1 2.92Å
313	R	95.5	Very high	93.3	Very high	191 Å²	191	57.8 Å²	57.8	72%	0.721	28%	0.276	S	S	*	.	H	α-helix	trans	-53.2	-53.5	-168.8	-63.8	-176.1	-174.9	179.6	3.3	113	N316 W317	R313-N316 PolarHBondContact O-N 2.99Å; R313-W317 PolarHBondContact O-N 3.43Å
314	L	95	Very high	93.4	Very high	103 Å²	103	61 Å²	61	54%	0.539	29%	0.293	S	S	.	.	H	α-helix	trans	-66	-40.1	-178.3	-178.3	63.2	0	0	0	112.3	G312 N316 W317 K318 W329	G312-L314 PolarHBondContact O-N 2.79Å; L314-N316 VanDerWaalsContact C-N 3.33Å; L314-N316 PolarHBondContact O-N 3.19Å; L314-W317 WeakPolarHBondContact O-CB 3.37Å; L314-W317 PolarHBondContact O-N 3.45Å; L314-K318 WeakPolarHBondContact O-CG 3.27Å; L314-K318 PolarHBondContact O-N 3.44Å; L314-W329 HydrophobicContact CD1-CZ2 4.31Å
315	N	94.8	Very high	93.6	Very high	78 Å²	78	59.9 Å²	59.9	42%	0.417	29%	0.286	S	S	.	.	H	α-helix	trans	-67.3	-35.9	179.2	-68.8	-24.4	0	0	0	111.6	H311 G312 W317 K318 L319	H311-N315 HydrophobicContact CB-CB 3.97Å; H311-N315 VanDerWaalsContact O-CB 3.3Å; H311-N315 WeakPolarHBondContact O-CB 3.15Å; H311-N315 PolarHBondContact O-ND2 2.94Å; G312-N315 PolarHBondContact O-N 2.79Å; N315-W317 VanDerWaalsContact C-N 3.3Å; N315-W317 PolarHBondContact O-N 3.49Å; N315-K318 PolarHBondContact O-N 3.34Å; N315-L319 WeakPolarHBondContact O-CB 3.35Å; N315-L319 WeakPolarHBondContact O-CG 3.22Å; N315-L319 PolarHBondContact O-N 3.32Å
316	N	96.1	Very high	93.7	Very high	8 Å²	8	68.5 Å²	68.5	4%	0.043	32%	0.317	C	S	.	.	H	α-helix	trans	-61	-41.5	173.4	-62.5	-24.4	0	0	0	111.4	I279 S280 G282 H310 H311 G312 R313 L314 L319 F320	I279-N316 WeakPolarHBondContact O-CB 3.3Å; S280-N316 PolarHBondContact O-ND2 2.91Å; G282-N316 PolarHBondContact N-ND2 2.8Å; H310-N316 PolarHBondContact CE1-ND2 2.7Å; H310-N316 VanDerWaalsContact CE1-ND2 3.35Å; H310-N316 PolarHBondContact ND1-ND2 2.96Å; H311-N316 PolarHBondContact N-OD1 3.45Å; G312-N316 PolarHBondContact O-N 2.92Å; G312-N316 PolarHBondContact O-ND2 3.36Å; G312-N316 PolarHBondContact O-OD1 2.92Å; R313-N316 PolarHBondContact O-N 2.99Å; L314-N316 VanDerWaalsContact C-N 3.33Å; L314-N316 PolarHBondContact O-N 3.19Å; N316-L319 PolarHBondContact O-N 3.34Å; N316-F320 WeakPolarHBondContact O-CB 3.44Å; N316-F320 PolarHBondContact O-N 3.05Å
317	W	97.2	Very high	93.9	Very high	47 Å²	47	66.5 Å²	66.5	18%	0.178	32%	0.321	C	S	.	.	H	α-helix	trans	-65.2	-41.6	174.2	-77.1	107.8	0	0	0	112.8	F204 A276 I279 S280 R313 L314 N315 F320 F321	F204-W317 HydrophobicContact CD1-CZ3 4.18Å; F204-W317 AromaticContact CE1-CH2 3.8Å; F204-W317 HydrophobicContact CE1-CH2 3.8Å; F204-W317 AromaticContact CE1-CZ3 3.57Å; F204-W317 HydrophobicContact CE1-CZ3 3.57Å; F204-W317 AromaticContact CE2-CH2 3.91Å; F204-W317 HydrophobicContact CE2-CH2 3.91Å; F204-W317 HydrophobicContact CE2-CZ3 4.37Å; F204-W317 AromaticContact CZ-CH2 3.38Å; F204-W317 HydrophobicContact CZ-CH2 3.38Å; F204-W317 AromaticContact CZ-CZ3 3.69Å; F204-W317 HydrophobicContact CZ-CZ3 3.69Å; A276-W317 HydrophobicContact CB-CH2 3.86Å; A276-W317 HydrophobicContact CB-CZ2 3.77Å; A276-W317 WeakPolarHBondContact O-CZ2 3.43Å; I279-W317 HydrophobicContact CB-CE3 4.5Å; I279-W317 HydrophobicContact CB-CH2 4.13Å; I279-W317 HydrophobicContact CB-CZ2 4.15Å; I279-W317 HydrophobicContact CB-CZ3 4.3Å; I279-W317 HydrophobicContact CD1-CH2 3.85Å; I279-W317 HydrophobicContact CD1-CZ3 3.81Å; I279-W317 HydrophobicContact CG2-CD2 3.67Å; I279-W317 HydrophobicContact CG2-CE3 3.62Å; I279-W317 HydrophobicContact CG2-CG 4.28Å; I279-W317 HydrophobicContact CG2-CH2 4.12Å; I279-W317 HydrophobicContact CG2-CZ2 4.15Å; I279-W317 HydrophobicContact CG2-CZ3 3.86Å; S280-W317 PolarHBondContact OG-NE1 2.95Å; R313-W317 PolarHBondContact O-N 3.43Å; L314-W317 WeakPolarHBondContact O-CB 3.37Å; L314-W317 PolarHBondContact O-N 3.45Å; N315-W317 VanDerWaalsContact C-N 3.3Å; N315-W317 PolarHBondContact O-N 3.49Å; W317-F320 HydrophobicContact CE3-CD1 4.44Å; W317-F320 HydrophobicContact CZ3-CD1 4.47Å; W317-F320 PolarHBondContact O-N 3.33Å; W317-F321 AromaticContact CE3-CD2 3.88Å; W317-F321 HydrophobicContact CE3-CD2 3.88Å; W317-F321 AromaticContact CE3-CE2 3.37Å; W317-F321 HydrophobicContact CE3-CE2 3.37Å; W317-F321 HydrophobicContact CE3-CZ 4.25Å; W317-F321 HydrophobicContact CZ3-CD2 4.46Å; W317-F321 AromaticContact CZ3-CE2 3.56Å; W317-F321 HydrophobicContact CZ3-CE2 3.56Å; W317-F321 HydrophobicContact CZ3-CZ 4.01Å; W317-F321 PolarHBondContact O-N 3.24Å
318	K	95.8	Very high	94.2	Very high	76 Å²	76	66.5 Å²	66.5	33%	0.33	32%	0.32	S	S	.	.	H	α-helix	trans	-60.2	-47.9	174.4	-73.1	178.9	179.5	178.7	0	111.4	L314 N315 F320 F321 G322 V323 W329	L314-K318 WeakPolarHBondContact O-CG 3.27Å; L314-K318 PolarHBondContact O-N 3.44Å; N315-K318 PolarHBondContact O-N 3.34Å; K318-F320 VanDerWaalsContact C-N 3.33Å; K318-F320 PolarHBondContact O-N 2.87Å; K318-F321 PolarHBondContact O-N 3.27Å; K318-G322 CarbonylContact O-C 3.58Å; K318-G322 VanDerWaalsContact O-CA 3.3Å; K318-G322 WeakPolarHBondContact O-CA 3.45Å; K318-G322 PolarHBondContact O-N 3.35Å; K318-V323 HydrophobicContact CB-CB 4.38Å; K318-V323 WeakPolarHBondContact CB-O 3.43Å; K318-V323 HydrophobicContact CG-CB 4.29Å; K318-V323 HydrophobicContact CG-CG1 4.48Å; K318-V323 PolarHBondContact O-N 3.34Å; K318-W329 HydrophobicContact CG-CZ2 4.25Å
319	L	94.7	Very high	94.4	Very high	85 Å²	85	68.7 Å²	68.7	45%	0.445	32%	0.322	S	S	.	.	H	α-helix	trans	-63.3	-39.1	176.7	-70.3	169.6	0	0	0	111.9	H311 N315 N316 G322	H311-L319 HydrophobicContact CB-CD1 4.26Å; N315-L319 WeakPolarHBondContact O-CB 3.35Å; N315-L319 WeakPolarHBondContact O-CG 3.22Å; N315-L319 PolarHBondContact O-N 3.32Å; N316-L319 PolarHBondContact O-N 3.34Å; L319-G322 PolarHBondContact O-N 2.9Å
320	F	96.1	Very high	94.5	Very high	17 Å²	17	72 Å²	72	8%	0.075	34%	0.341	C	S	.	.	H	α-helix	trans	-65	-44.1	179.8	-177.3	-97.6	0	0	0	112.9	H200 R201 F204 I279 N316 W317 K318	H200-F320 HydrophobicContact CB-CE2 4.08Å; H200-F320 HydrophobicContact CB-CZ 4.48Å; H200-F320 AromaticContact CD2-CE2 3.67Å; H200-F320 AromaticContact CD2-CZ 3.85Å; H200-F320 AromaticContact CG-CE2 3.64Å; R201-F320 HydrophobicContact CB-CE1 4.15Å; R201-F320 HydrophobicContact CB-CZ 4.32Å; F204-F320 HydrophobicContact CB-CE1 3.76Å; F204-F320 HydrophobicContact CB-CZ 3.63Å; F204-F320 AromaticContact CD1-CE1 3.97Å; F204-F320 HydrophobicContact CD1-CE1 3.97Å; F204-F320 AromaticContact CG-CE1 3.95Å; F204-F320 HydrophobicContact CG-CE1 3.95Å; F204-F320 HydrophobicContact CG-CZ 4.17Å; I279-F320 HydrophobicContact CD1-CD1 4Å; I279-F320 HydrophobicContact CD1-CD2 4.16Å; I279-F320 HydrophobicContact CD1-CE1 3.64Å; I279-F320 HydrophobicContact CD1-CE2 3.81Å; I279-F320 HydrophobicContact CD1-CG 4.24Å; I279-F320 HydrophobicContact CD1-CZ 3.53Å; I279-F320 HydrophobicContact CG1-CD2 3.95Å; I279-F320 HydrophobicContact CG1-CE1 4.46Å; I279-F320 HydrophobicContact CG1-CE2 3.87Å; I279-F320 HydrophobicContact CG1-CG 4.27Å; I279-F320 HydrophobicContact CG1-CZ 4.14Å; I279-F320 HydrophobicContact CG2-CB 3.81Å; I279-F320 HydrophobicContact CG2-CD1 4.22Å; I279-F320 HydrophobicContact CG2-CD2 4.14Å; I279-F320 HydrophobicContact CG2-CG 3.79Å; N316-F320 WeakPolarHBondContact O-CB 3.44Å; N316-F320 PolarHBondContact O-N 3.05Å; W317-F320 HydrophobicContact CE3-CD1 4.44Å; W317-F320 HydrophobicContact CZ3-CD1 4.47Å; W317-F320 PolarHBondContact O-N 3.33Å; K318-F320 VanDerWaalsContact C-N 3.33Å; K318-F320 PolarHBondContact O-N 2.87Å
321	F	96.5	Very high	94.6	Very high	8 Å²	8	71.3 Å²	71.3	4%	0.035	34%	0.342	C	S	.	.	H	α-helix	trans	-90.7	0.1	177.9	-73.4	-57.7	0	0	0	114.1	F204 W317 K318 V323 W329 V333 H339	F204-F321 HydrophobicContact CD1-CE1 4.16Å; F204-F321 AromaticContact CD1-CZ 3.67Å; F204-F321 HydrophobicContact CD1-CZ 3.67Å; F204-F321 HydrophobicContact CE1-CE2 4.47Å; F204-F321 AromaticContact CE1-CZ 3.74Å; F204-F321 HydrophobicContact CE1-CZ 3.74Å; W317-F321 AromaticContact CE3-CD2 3.88Å; W317-F321 HydrophobicContact CE3-CD2 3.88Å; W317-F321 AromaticContact CE3-CE2 3.37Å; W317-F321 HydrophobicContact CE3-CE2 3.37Å; W317-F321 HydrophobicContact CE3-CZ 4.25Å; W317-F321 HydrophobicContact CZ3-CD2 4.46Å; W317-F321 AromaticContact CZ3-CE2 3.56Å; W317-F321 HydrophobicContact CZ3-CE2 3.56Å; W317-F321 HydrophobicContact CZ3-CZ 4.01Å; W317-F321 PolarHBondContact O-N 3.24Å; K318-F321 PolarHBondContact O-N 3.27Å; F321-V323 VanDerWaalsContact C-N 3.35Å; F321-V323 HydrophobicContact CB-CG2 3.78Å; F321-V323 PolarHBondContact O-N 2.86Å; F321-W329 HydrophobicContact CD2-CZ3 4.32Å; F321-V333 HydrophobicContact CB-CG2 3.96Å; F321-V333 HydrophobicContact CD1-CG2 4.07Å; F321-V333 HydrophobicContact CD2-CG2 4.1Å; F321-V333 HydrophobicContact CE1-CG1 4.4Å; F321-V333 HydrophobicContact CE2-CG1 4.47Å; F321-V333 HydrophobicContact CG-CG2 3.81Å; F321-V333 HydrophobicContact CZ-CG1 4.28Å; F321-H339 PolarHBondContact O-NE2 2.87Å; F321-H339 VanDerWaalsContact O-NE2 3.12Å
322	G	94.2	Very high	94.6	Very high	1 Å²	1	70.9 Å²	70.9	1%	0.01	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	38.9	-173.5	0	0	0	0	0	113	K318 L319 E324 R332	K318-G322 CarbonylContact O-C 3.58Å; K318-G322 VanDerWaalsContact O-CA 3.3Å; K318-G322 WeakPolarHBondContact O-CA 3.45Å; K318-G322 PolarHBondContact O-N 3.35Å; L319-G322 PolarHBondContact O-N 2.9Å; G322-E324 PolarHBondContact O-N 3.38Å; G322-R332 VanDerWaalsContact O-CD 3.23Å; G322-R332 WeakPolarHBondContact O-CD 3.31Å; G322-R332 PolarHBondContact O-NH1 3.43Å
323	V	94.4	Very high	94.6	Very high	8 Å²	8	70.4 Å²	70.4	5%	0.048	33%	0.33	C	S	.	.			trans	-90.4	101	-178.3	177.2	0	0	0	0	110.9	K318 F321 T325 H328 W329 V333	K318-V323 HydrophobicContact CB-CB 4.38Å; K318-V323 WeakPolarHBondContact CB-O 3.43Å; K318-V323 HydrophobicContact CG-CB 4.29Å; K318-V323 HydrophobicContact CG-CG1 4.48Å; K318-V323 PolarHBondContact O-N 3.34Å; F321-V323 VanDerWaalsContact C-N 3.35Å; F321-V323 HydrophobicContact CB-CG2 3.78Å; F321-V323 PolarHBondContact O-N 2.86Å; V323-T325 WeakPolarHBondContact CG1-O 3.44Å; V323-H328 HydrophobicContact CB-CB 4.34Å; V323-H328 HydrophobicContact CG1-CB 4.01Å; V323-H328 HydrophobicContact CG2-CB 4.31Å; V323-W329 HydrophobicContact CG1-CD2 4Å; V323-W329 HydrophobicContact CG1-CG 4.12Å; V323-W329 HydrophobicContact CG1-CZ2 4.14Å; V323-W329 HydrophobicContact CG2-CD2 4.21Å; V323-W329 HydrophobicContact CG2-CE3 4.2Å; V323-W329 HydrophobicContact CG2-CZ3 4.4Å; V323-V333 HydrophobicContact CG2-CG2 4.28Å
324	E	92.3	Very high	94.6	Very high	145 Å²	145	64.7 Å²	64.7	68%	0.678	31%	0.314	S	S	*	.			trans	-91.3	-40	173.3	-67.3	157.4	-149	0	0	113.7	G322 H328 R332	G322-E324 PolarHBondContact O-N 3.38Å; E324-H328 PolarHBondContact N-ND1 2.94Å; E324-R332 IonicContact OE1-NH1 3.39Å
325	T	93.5	Very high	94.7	Very high	67 Å²	67	63.3 Å²	63.3	41%	0.411	31%	0.307	S	S	.	.	S	Bend	trans	-116.5	167	-177.7	67.4	0	0	0	0	111.1	V323 S327 H328	V323-T325 WeakPolarHBondContact CG1-O 3.44Å; T325-S327 VanDerWaalsContact C-N 3.33Å; T325-S327 PolarHBondContact O-N 3.02Å; T325-S327 PolarHBondContact OG1-OG 3.42Å; T325-S327 VanDerWaalsContact OG1-OG 3.14Å; T325-H328 PolarHBondContact N-ND1 3.47Å; T325-H328 WeakPolarHBondContact O-CB 3.43Å; T325-H328 PolarHBondContact O-N 2.99Å; T325-H328 PolarHBondContact OG1-CD2 3.4Å; T325-H328 VanDerWaalsContact OG1-CD2 3.31Å; T325-H328 PolarHBondContact OG1-CE1 3.05Å; T325-H328 VanDerWaalsContact OG1-CG 3.26Å; T325-H328 PolarHBondContact OG1-ND1 2.91Å; T325-H328 PolarHBondContact OG1-NE2 3.15Å
326	R	91.7	Very high	94.8	Very high	233 Å²	233	62.3 Å²	62.3	88%	0.879	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-36.6	178.7	-69.4	-173.5	-178.6	177.8	1.2	112.8	H328 W329	R326-H328 PolarHBondContact O-N 2.97Å; R326-W329 PolarHBondContact O-N 3.49Å
327	S	94	Very high	94.8	Very high	73 Å²	73	62.9 Å²	62.9	51%	0.51	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-23.6	179.4	57.1	0	0	0	0	112.9	T325 W329 L330 T331	T325-S327 VanDerWaalsContact C-N 3.33Å; T325-S327 PolarHBondContact O-N 3.02Å; T325-S327 PolarHBondContact OG1-OG 3.42Å; T325-S327 VanDerWaalsContact OG1-OG 3.14Å; S327-W329 PolarHBondContact O-N 3.35Å; S327-L330 PolarHBondContact O-N 3.24Å; S327-T331 PolarHBondContact O-N 3.37Å; S327-T331 PolarHBondContact O-OG1 2.91Å
328	H	95.1	Very high	94.8	Very high	28 Å²	28	64.3 Å²	64.3	13%	0.13	33%	0.326	C	S	.	.	H	α-helix	trans	-64.3	-24.3	176.3	-67	165.2	0	0	0	113.3	V323 E324 T325 R326 L330 T331 R332	V323-H328 HydrophobicContact CB-CB 4.34Å; V323-H328 HydrophobicContact CG1-CB 4.01Å; V323-H328 HydrophobicContact CG2-CB 4.31Å; E324-H328 PolarHBondContact N-ND1 2.94Å; T325-H328 PolarHBondContact N-ND1 3.47Å; T325-H328 WeakPolarHBondContact O-CB 3.43Å; T325-H328 PolarHBondContact O-N 2.99Å; T325-H328 PolarHBondContact OG1-CD2 3.4Å; T325-H328 VanDerWaalsContact OG1-CD2 3.31Å; T325-H328 PolarHBondContact OG1-CE1 3.05Å; T325-H328 VanDerWaalsContact OG1-CG 3.26Å; T325-H328 PolarHBondContact OG1-ND1 2.91Å; T325-H328 PolarHBondContact OG1-NE2 3.15Å; R326-H328 PolarHBondContact O-N 2.97Å; H328-L330 VanDerWaalsContact C-N 3.26Å; H328-L330 PolarHBondContact O-N 3.41Å; H328-T331 WeakPolarHBondContact CA-OG1 3.46Å; H328-T331 PolarHBondContact O-N 2.92Å; H328-R332 HydrophobicContact CB-CG 4.03Å; H328-R332 PolarHBondContact CD2-NE 3.41Å; H328-R332 PolarHBondContact CE1-NH2 3.47Å; H328-R332 VanDerWaalsContact CG-NE 3.3Å; H328-R332 PolarHBondContact ND1-NE 3.23Å; H328-R332 PolarHBondContact ND1-NH2 2.87Å; H328-R332 PolarHBondContact NE2-NH2 2.95Å; H328-R332 VanDerWaalsContact NE2-NH2 3.1Å; H328-R332 WeakPolarHBondContact O-CA 3.33Å; H328-R332 WeakPolarHBondContact O-CB 3.18Å; H328-R332 PolarHBondContact O-N 2.81Å
329	W	94.3	Very high	94.7	Very high	93 Å²	93	62 Å²	62	35%	0.352	32%	0.316	S	S	.	.	I	π-helix	trans	-59.4	-41.2	170.9	-72.2	110.1	0	0	0	111.6	L314 K318 F321 V323 R326 S327 V333 L334	L314-W329 HydrophobicContact CD1-CZ2 4.31Å; K318-W329 HydrophobicContact CG-CZ2 4.25Å; F321-W329 HydrophobicContact CD2-CZ3 4.32Å; V323-W329 HydrophobicContact CG1-CD2 4Å; V323-W329 HydrophobicContact CG1-CG 4.12Å; V323-W329 HydrophobicContact CG1-CZ2 4.14Å; V323-W329 HydrophobicContact CG2-CD2 4.21Å; V323-W329 HydrophobicContact CG2-CE3 4.2Å; V323-W329 HydrophobicContact CG2-CZ3 4.4Å; R326-W329 PolarHBondContact O-N 3.49Å; S327-W329 PolarHBondContact O-N 3.35Å; W329-V333 HydrophobicContact CE3-CG2 3.88Å; W329-V333 HydrophobicContact CZ3-CG2 4.27Å; W329-V333 VanDerWaalsContact O-CB 3.25Å; W329-V333 WeakPolarHBondContact O-CB 3.27Å; W329-V333 PolarHBondContact O-N 3.15Å; W329-L334 PolarHBondContact O-N 3.42Å
330	L	94.3	Very high	94.6	Very high	97 Å²	97	62.8 Å²	62.8	51%	0.508	33%	0.327	S	S	.	.	I	π-helix	trans	-72.5	-54	175.8	-178	64	0	0	0	111	S327 H328 R332 L334 L335	S327-L330 PolarHBondContact O-N 3.24Å; H328-L330 VanDerWaalsContact C-N 3.26Å; H328-L330 PolarHBondContact O-N 3.41Å; L330-R332 PolarHBondContact O-N 3.3Å; L330-L334 HydrophobicContact CD1-CB 4.06Å; L330-L334 HydrophobicContact CD1-CD1 4Å; L330-L334 CarbonylContact O-C 3.38Å; L330-L334 PolarHBondContact O-N 3.01Å; L330-L335 HydrophobicContact CG-CD1 4.28Å; L330-L335 PolarHBondContact O-N 3.06Å
331	T	94.3	Very high	94.5	Very high	60 Å²	60	63 Å²	63	37%	0.368	33%	0.33	S	S	.	.	I	π-helix	trans	-78.3	-19.9	-169.2	61.3	0	0	0	0	114.9	S327 H328 S337	S327-T331 PolarHBondContact O-N 3.37Å; S327-T331 PolarHBondContact O-OG1 2.91Å; H328-T331 WeakPolarHBondContact CA-OG1 3.46Å; H328-T331 PolarHBondContact O-N 2.92Å; T331-S337 VanDerWaalsContact O-CB 3.25Å; T331-S337 WeakPolarHBondContact O-CB 3.19Å; T331-S337 PolarHBondContact O-OG 3.28Å
332	R	93.6	Very high	94.1	Very high	46 Å²	46	65 Å²	65	17%	0.174	35%	0.345	C	S	.	.	I	π-helix	trans	-110.6	-22.5	-176.8	-59.7	-170.5	-170.4	-165	-1.2	113.7	G322 E324 H328 L330 H339	G322-R332 VanDerWaalsContact O-CD 3.23Å; G322-R332 WeakPolarHBondContact O-CD 3.31Å; G322-R332 PolarHBondContact O-NH1 3.43Å; E324-R332 IonicContact OE1-NH1 3.39Å; H328-R332 HydrophobicContact CB-CG 4.03Å; H328-R332 PolarHBondContact CD2-NE 3.41Å; H328-R332 PolarHBondContact CE1-NH2 3.47Å; H328-R332 VanDerWaalsContact CG-NE 3.3Å; H328-R332 PolarHBondContact ND1-NE 3.23Å; H328-R332 PolarHBondContact ND1-NH2 2.87Å; H328-R332 PolarHBondContact NE2-NH2 2.95Å; H328-R332 VanDerWaalsContact NE2-NH2 3.1Å; H328-R332 WeakPolarHBondContact O-CA 3.33Å; H328-R332 WeakPolarHBondContact O-CB 3.18Å; H328-R332 PolarHBondContact O-N 2.81Å; L330-R332 PolarHBondContact O-N 3.3Å; R332-H339 WeakPolarHBondContact CB-CE1 3.36Å
333	V	94.3	Very high	93.9	Very high	14 Å²	14	67.8 Å²	67.8	9%	0.085	37%	0.373	C	S	.	.	I	π-helix	trans	-112.3	-51.2	-178.5	-170.6	0	0	0	0	112	Y209 F321 V323 W329	Y209-V333 PolarHBondContact OH-O 3.46Å; F321-V333 HydrophobicContact CB-CG2 3.96Å; F321-V333 HydrophobicContact CD1-CG2 4.07Å; F321-V333 HydrophobicContact CD2-CG2 4.1Å; F321-V333 HydrophobicContact CE1-CG1 4.4Å; F321-V333 HydrophobicContact CE2-CG1 4.47Å; F321-V333 HydrophobicContact CG-CG2 3.81Å; F321-V333 HydrophobicContact CZ-CG1 4.28Å; V323-V333 HydrophobicContact CG2-CG2 4.28Å; W329-V333 HydrophobicContact CE3-CG2 3.88Å; W329-V333 HydrophobicContact CZ3-CG2 4.27Å; W329-V333 VanDerWaalsContact O-CB 3.25Å; W329-V333 WeakPolarHBondContact O-CB 3.27Å; W329-V333 PolarHBondContact O-N 3.15Å
334	L	95.4	Very high	93.6	Very high	71 Å²	71	71.4 Å²	71.4	37%	0.372	39%	0.392	S	S	.	.	I	π-helix	trans	-85.9	-12	-174.6	-59.9	179.1	0	0	0	114.3	W127 W329 L330	W127-L334 HydrophobicContact CH2-CD2 4.49Å; W127-L334 HydrophobicContact CZ2-CB 4.42Å; W127-L334 HydrophobicContact CZ2-CD2 4.08Å; W127-L334 PolarHBondContact NE1-O 3.06Å; W329-L334 PolarHBondContact O-N 3.42Å; L330-L334 HydrophobicContact CD1-CB 4.06Å; L330-L334 HydrophobicContact CD1-CD1 4Å; L330-L334 CarbonylContact O-C 3.38Å; L330-L334 PolarHBondContact O-N 3.01Å
335	L	96.4	Very high	93.5	Very high	75 Å²	75	64.6 Å²	64.6	39%	0.393	36%	0.361	S	S	.	.	S	Bend	trans	-122	152.5	176.9	-65	177.2	0	0	0	111.1	L330 S337	L330-L335 HydrophobicContact CG-CD1 4.28Å; L330-L335 PolarHBondContact O-N 3.06Å; L335-S337 PolarHBondContact O-N 2.97Å
336	P	97.1	Very high	93.4	Very high	57 Å²	57	62.7 Å²	62.7	37%	0.37	35%	0.348	S	S	.	.			trans	-52.8	123.2	170	-27.8	37.3	0	0	0	111.5	I130 L131 F134	I130-P336 HydrophobicContact CG2-CG 3.69Å; L131-P336 HydrophobicContact CD2-CG 4.28Å; F134-P336 HydrophobicContact CB-CB 4.33Å; F134-P336 HydrophobicContact CB-CG 4.44Å; F134-P336 HydrophobicContact CD1-CB 3.83Å; F134-P336 HydrophobicContact CD2-CB 3.73Å; F134-P336 HydrophobicContact CE1-CB 4.02Å; F134-P336 HydrophobicContact CE2-CB 3.91Å; F134-P336 HydrophobicContact CG-CB 3.68Å; F134-P336 HydrophobicContact CG-CG 4.29Å; F134-P336 HydrophobicContact CZ-CB 4.06Å
337	S	96.4	Very high	93.3	Very high	20 Å²	20	57.7 Å²	57.7	14%	0.14	34%	0.336	C	S	.	.			trans	-145.1	125.7	-175.1	-165.6	0	0	0	0	111.3	F134 R201 Y202 T331 L335 H339	F134-S337 VanDerWaalsContact CE1-N 3.28Å; R201-S337 PolarHBondContact NH1-O 3.39Å; R201-S337 PolarHBondContact NH2-O 2.89Å; Y202-S337 WeakPolarHBondContact CE1-O 3.41Å; T331-S337 VanDerWaalsContact O-CB 3.25Å; T331-S337 WeakPolarHBondContact O-CB 3.19Å; T331-S337 PolarHBondContact O-OG 3.28Å; L335-S337 PolarHBondContact O-N 2.97Å; S337-H339 PolarHBondContact OG-ND1 3.41Å
338	S	96	Very high	93	Very high	76 Å²	76	56.6 Å²	56.6	53%	0.531	32%	0.321	S	S	.	.			trans	-98.6	9.1	-178	-70.5	0	0	0	0	114.5	R201 Y202	R201-S338 VanDerWaalsContact NH2-C 3.32Å; Y202-S338 WeakPolarHBondContact OH-CA 3.29Å; Y202-S338 PolarHBondContact OH-O 2.96Å
339	H	95.1	Very high	92.4	Very high	28 Å²	28	62 Å²	62	13%	0.13	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-56.1	145.5	-177.5	69.2	-83.7	0	0	0	113	R201 F321 R332 S337	R201-H339 VanDerWaalsContact CZ-O 3.22Å; R201-H339 PolarHBondContact NE-O 2.88Å; R201-H339 VanDerWaalsContact NE-O 3.17Å; R201-H339 PolarHBondContact NH1-CE1 3.35Å; R201-H339 VanDerWaalsContact NH2-N 3.14Å; R201-H339 PolarHBondContact NH2-ND1 2.94Å; R201-H339 PolarHBondContact NH2-O 2.73Å; F321-H339 PolarHBondContact O-NE2 2.87Å; F321-H339 VanDerWaalsContact O-NE2 3.12Å; R332-H339 WeakPolarHBondContact CB-CE1 3.36Å; S337-H339 PolarHBondContact OG-ND1 3.41Å
340	P	92.6	Very high	91.6	Very high	102 Å²	102	64.9 Å²	64.9	66%	0.662	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-70.3	153.1	176	29.3	-34.1	0	0	0	111.1
341	P	92.7	Very high	90.5	Very high	21 Å²	21	62.7 Å²	62.7	14%	0.136	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-62.9	159.6	168.7	32.1	-38.3	0	0	0	110.8	H197 L198	H197-P341 WeakPolarHBondContact O-CG 3.36Å; L198-P341 HydrophobicContact CD2-CG 3.84Å
342	S	89.1	Confident	88.8	Confident	50 Å²	50	65.6 Å²	65.6	35%	0.35	38%	0.376	S	S	.	.	S	Bend	trans	-65.2	135.9	174.1	-54.3	0	0	0	0	111.3	H197	H197-S342 PolarHBondContact CE1-O 3.16Å
343	G	88.9	Confident	87	Confident	59 Å²	59	69.5 Å²	69.5	61%	0.608	41%	0.405	S	S	*	.	S	Bend	trans	78.1	167.4	178.2	0	0	0	0	0	114.7	H197	H197-G343 PolarHBondContact NE2-O 3.46Å
344	D	89.5	Confident	84.9	Confident	85 Å²	85	73 Å²	73	46%	0.455	43%	0.43	S	S	.	.			trans	-84.9	-9.9	-177.1	63.9	2.1	0	0	0	113.8	L346 M347	D344-L346 HydrophobicContact CB-CG 4.48Å; D344-L346 PolarHBondContact O-N 3.19Å; D344-L346 WeakPolarHBondContact OD1-CA 3.42Å; D344-L346 WeakPolarHBondContact OD1-CB 3.39Å; D344-L346 PolarHBondContact OD1-N 2.64Å; D344-M347 PolarHBondContact OD1-N 3.43Å
345	G	90.2	Very high	82.5	Confident	1 Å²	1	75.4 Å²	75.4	1%	0.01	45%	0.453	C	S	.	.	S	Bend	trans	76.9	1.8	-175.8	0	0	0	0	0	114.1	H197 W348	H197-G345 PolarHBondContact NE2-N 2.82Å; G345-W348 PolarHBondContact O-NE1 3.33Å
346	L	90.7	Very high	80.3	Confident	28 Å²	28	74.6 Å²	74.6	15%	0.147	45%	0.449	C	S	.	.	S	Bend	trans	-94.7	-41.1	174.1	-53.9	176.9	0	0	0	110.2	P148 V154 P168 P169 L182 D344	P148-L346 HydrophobicContact CG-CD1 4.42Å; V154-L346 HydrophobicContact CG1-CD2 4.18Å; P168-L346 HydrophobicContact CB-CD2 4.25Å; P168-L346 HydrophobicContact CG-CD2 3.73Å; P169-L346 WeakPolarHBondContact CD-O 3.16Å; L182-L346 HydrophobicContact CD1-CD2 4.14Å; L182-L346 HydrophobicContact CD2-CD2 3.76Å; D344-L346 HydrophobicContact CB-CG 4.48Å; D344-L346 PolarHBondContact O-N 3.19Å; D344-L346 WeakPolarHBondContact OD1-CA 3.42Å; D344-L346 WeakPolarHBondContact OD1-CB 3.39Å; D344-L346 PolarHBondContact OD1-N 2.64Å
347	M	88.6	Confident	78.3	Confident	127 Å²	127	77.5 Å²	77.5	63%	0.626	47%	0.467	S	S	*	.			trans	-112.5	149.8	176.4	-58	-152.5	-60.2	0	0	111.5	P155 D344	P155-M347 HydrophobicContact CG-CG 3.82Å; P155-M347 HydrophobicContact CG-SD 4.25Å; D344-M347 PolarHBondContact OD1-N 3.43Å
348	W	88.4	Confident	76.1	Confident	50 Å²	50	81.2 Å²	81.2	19%	0.189	48%	0.484	C	S	.	.			trans	-140.6	124.1	-175.7	-60.4	89.7	0	0	0	109.5	P169 R170 K183 H197 Y309 G345 R350	P169-W348 PolarHBondContact O-NE1 3.11Å; R170-W348 HydrophobicContact CB-CZ2 4.48Å; R170-W348 HydrophobicContact CG-CD2 4.47Å; K183-W348 HydrophobicContact CB-CH2 3.9Å; K183-W348 HydrophobicContact CB-CZ2 3.78Å; K183-W348 HydrophobicContact CD-CH2 3.59Å; K183-W348 HydrophobicContact CD-CZ2 4.3Å; K183-W348 HydrophobicContact CD-CZ3 4.25Å; K183-W348 HydrophobicContact CG-CH2 3.74Å; K183-W348 HydrophobicContact CG-CZ2 3.94Å; H197-W348 AromaticContact CE1-CH2 3.72Å; H197-W348 AromaticContact ND1-CH2 3.44Å; H197-W348 WeakPolarHBondContact ND1-CH2 3.28Å; Y309-W348 HydrophobicContact CD1-CB 4.11Å; Y309-W348 HydrophobicContact CE1-CB 3.63Å; Y309-W348 HydrophobicContact CE1-CG 4.1Å; G345-W348 PolarHBondContact O-NE1 3.33Å; W348-R350 PolarHBondContact O-N 2.61Å
349	D	82.8	Confident	74	Confident	141 Å²	141	78.8 Å²	78.8	75%	0.754	47%	0.468	S	S	*	.			trans	-64.6	133	172.3	-61.6	-33.6	0	0	0	109.4	H311	H311-D349 PolarHBondContact CE1-O 3.35Å; H311-D349 VanDerWaalsContact CE1-O 3.28Å; H311-D349 PolarHBondContact NE2-O 3.17Å
350	R	77.6	Confident	71.8	Confident	155 Å²	155	83.4 Å²	83.4	59%	0.585	49%	0.493	S	S	*	.			trans	-106.1	137.6	171.8	-63.5	-179.8	-174.3	163.7	3.2	107.6	W348 S352	W348-R350 PolarHBondContact O-N 2.61Å; R350-S352 PolarHBondContact O-N 3.22Å
351	P	71.9	Confident	70.8	Confident	51 Å²	51	82.5 Å²	82.5	33%	0.331	48%	0.484	S	S	.	.			trans	-54.4	136.8	168.3	-13.5	25.2	0	0	0	108.8	P308 T353	P308-P351 WeakPolarHBondContact O-CD 3.37Å; P351-T353 PolarHBondContact O-N 3.2Å
352	S	57.4	Low	69.7	Low	121 Å²	121	85.7 Å²	85.7	85%	0.846	50%	0.503	S	S	*	.			trans	-56.8	110.9	170.2	53.4	0	0	0	0	108.3	R350 S354	R350-S352 PolarHBondContact O-N 3.22Å; S352-S354 PolarHBondContact O-N 3.49Å
353	T	56	Low	68.6	Low	128 Å²	128	87.7 Å²	87.7	79%	0.785	51%	0.511	S	S	*	.			trans	-66.5	121.4	-179.8	45.8	0	0	0	0	109.6	P351	P351-T353 PolarHBondContact O-N 3.2Å
354	S	49.1	Very low	67.4	Low	88 Å²	88	89.4 Å²	89.4	62%	0.615	51%	0.505	S	S	*	.			trans	-46.1	137.9	158.5	164.1	0	0	0	0	110.3	S352 D356	S352-S354 PolarHBondContact O-N 3.49Å; S354-D356 PolarHBondContact O-N 3.25Å
355	S	46	Very low	66	Low	121 Å²	121	89.7 Å²	89.7	85%	0.846	51%	0.509	S	S	*	.			trans	-64.5	57.1	179.3	52.3	0	0	0	0	113.9	P357	S355-P357 WeakPolarHBondContact O-CD 3.48Å
356	D	51	Low	64.4	Low	58 Å²	58	95.6 Å²	95.6	31%	0.31	54%	0.542	S	S	.	.			trans	-98.7	105.7	173.9	-177	-7.6	0	0	0	108.8	R306 S354 M358 A359	R306-D356 IonicContact CZ-OD2 3.9Å; R306-D356 IonicContact NH1-OD2 2.85Å; R306-D356 IonicContact NH2-OD2 3.58Å; R306-D356 PolarHBondContact NH2-OD2 3Å; S354-D356 PolarHBondContact O-N 3.25Å; D356-M358 PolarHBondContact O-N 2.69Å; D356-M358 PolarHBondContact OD1-N 2.92Å; D356-A359 HydrophobicContact CB-CB 4.25Å; D356-A359 PolarHBondContact O-N 2.97Å; D356-A359 VanDerWaalsContact O-N 3.15Å
357	P	54.3	Low	62.5	Low	117 Å²	117	100.4 Å²	100.4	76%	0.76	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-11.4	-174.2	25.4	-33.1	0	0	0	113.7	S355	S355-P357 WeakPolarHBondContact O-CD 3.48Å
358	M	50.7	Low	60.5	Low	99 Å²	99	98.4 Å²	98.4	49%	0.488	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.4	-6.4	-179.6	-62.5	-58.6	-69.7	0	0	114	G302 V304 D356	G302-M358 WeakPolarHBondContact O-CE 3.16Å; V304-M358 PolarHBondContact N-O 3.05Å; D356-M358 PolarHBondContact O-N 2.69Å; D356-M358 PolarHBondContact OD1-N 2.92Å
359	A	51.1	Low	58.2	Low	24 Å²	24	102.4 Å²	102.4	20%	0.198	60%	0.597	C	S	.	*	B	Isolated β-bridge	trans	-106.6	125.4	178.1	0	0	0	0	0	110.8	R306 D356	R306-A359 HydrophobicContact CG-CB 4.24Å; D356-A359 HydrophobicContact CB-CB 4.25Å; D356-A359 PolarHBondContact O-N 2.97Å; D356-A359 VanDerWaalsContact O-N 3.15Å
360	I	50.3	Low	55.9	Low	126 Å²	126	98.9 Å²	98.9	65%	0.646	58%	0.583	S	S	*	*			trans	-118.8	0	171.7	-59.1	177.9	0	0	0	108.9	K303	K303-I360 HydrophobicContact CD-CD1 4.03Å

Retrieved 360 of 360 residues in 476.4 ms (Link to these results)

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