A0A093GXD2_STRCA Loading...

Exonuclease 3'-5' domain-containing protein 2

AlphaFold DB , UniProt , Accession A0A093GXD2, Species STRCA (Struthio camelus australis), Gene n/a, Length 621 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	40.1	Very low	47.4	Very low	242 Å²	242	113.5 Å²	113.5	100%	1.192	65%	0.645	S	S	*	*				0	139.8	0	-68.4	177	117.3	0	0	108.4
2	P	48	Very low	47.7	Very low	83 Å²	83	109.4 Å²	109.4	54%	0.539	64%	0.635	S	S	.	*				-116	137.5	-82.9	36.2	-33.7	0	0	0	115.4	Q4 A5	P2-Q4 HydrophobicContact CB-CB 4.35Å; P2-Q4 PolarHBondContact O-N 3.11Å; P2-Q4 VanDerWaalsContact O-N 3.15Å; P2-A5 PolarHBondContact O-N 3.32Å
3	K	44.6	Very low	48.1	Very low	200 Å²	200	105.6 Å²	105.6	87%	0.87	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-6.4	167.5	-69	-177.1	175.6	-179.5	0	113.9	A5	K3-A5 VanDerWaalsContact C-N 3.35Å
4	Q	42	Very low	48	Very low	160 Å²	160	106.3 Å²	106.3	75%	0.748	62%	0.623	S	S	*	*	H	α-helix	trans	-70.9	-26	175.2	-71.7	172	-38.5	0	0	113.3	P2 A8	P2-Q4 HydrophobicContact CB-CB 4.35Å; P2-Q4 PolarHBondContact O-N 3.11Å; P2-Q4 VanDerWaalsContact O-N 3.15Å; Q4-A8 PolarHBondContact O-N 3.43Å
5	A	45.4	Very low	48.1	Very low	57 Å²	57	106.9 Å²	106.9	47%	0.471	62%	0.622	S	S	.	*	H	α-helix	trans	-66.3	-39.7	-179	0	0	0	0	0	112.7	P2 K3 V7 A8 V9	P2-A5 PolarHBondContact O-N 3.32Å; K3-A5 VanDerWaalsContact C-N 3.35Å; A5-V7 PolarHBondContact O-N 3.31Å; A5-A8 PolarHBondContact O-N 3.14Å; A5-V9 WeakPolarHBondContact O-CG2 3.34Å; A5-V9 PolarHBondContact O-N 2.93Å; A5-V9 VanDerWaalsContact O-N 3.14Å
6	A	45.9	Very low	48	Very low	65 Å²	65	103.1 Å²	103.1	54%	0.537	61%	0.612	S	S	.	*	H	α-helix	trans	-64.1	-42.9	-179.2	0	0	0	0	0	112.4	A8 V9 T10	A6-A8 VanDerWaalsContact C-N 3.35Å; A6-A8 PolarHBondContact O-N 2.92Å; A6-V9 PolarHBondContact O-N 3.46Å; A6-T10 PolarHBondContact O-N 2.84Å; A6-T10 VanDerWaalsContact O-N 3.15Å; A6-T10 PolarHBondContact O-OG1 3.15Å
7	V	52.6	Low	48.8	Very low	92 Å²	92	103.8 Å²	103.8	56%	0.558	62%	0.617	S	S	*	*	H	α-helix	trans	-65.2	-39.1	179.1	-177.6	0	0	0	0	111.3	A5 T10 L11	A5-V7 PolarHBondContact O-N 3.31Å; V7-T10 PolarHBondContact O-N 2.88Å; V7-L11 HydrophobicContact CG1-CD1 4.13Å; V7-L11 PolarHBondContact O-N 2.89Å; V7-L11 VanDerWaalsContact O-N 3.08Å
8	A	48.8	Very low	49.2	Very low	59 Å²	59	101.3 Å²	101.3	49%	0.488	61%	0.61	S	S	.	*	H	α-helix	trans	-64.5	-41.8	176.8	0	0	0	0	0	112.6	Q4 A5 A6 L11 A12	Q4-A8 PolarHBondContact O-N 3.43Å; A5-A8 PolarHBondContact O-N 3.14Å; A6-A8 VanDerWaalsContact C-N 3.35Å; A6-A8 PolarHBondContact O-N 2.92Å; A8-L11 PolarHBondContact O-N 2.87Å; A8-A12 WeakPolarHBondContact O-CB 3.48Å; A8-A12 PolarHBondContact O-N 2.68Å
9	V	52.5	Low	49.8	Very low	104 Å²	104	101.1 Å²	101.1	63%	0.63	61%	0.609	S	S	*	*	H	α-helix	trans	-65	-40.7	177.5	173	0	0	0	0	111.5	A5 A6 A12 A13	A5-V9 WeakPolarHBondContact O-CG2 3.34Å; A5-V9 PolarHBondContact O-N 2.93Å; A5-V9 VanDerWaalsContact O-N 3.14Å; A6-V9 PolarHBondContact O-N 3.46Å; V9-A12 PolarHBondContact O-N 3.24Å; V9-A13 WeakPolarHBondContact O-CB 3.41Å; V9-A13 PolarHBondContact O-N 3.22Å
10	T	51.8	Low	50	Low	88 Å²	88	97.7 Å²	97.7	54%	0.54	60%	0.595	S	S	.	*	H	α-helix	trans	-67.2	-40.1	177.9	-45.4	0	0	0	0	112.2	A6 V7 A13 L14	A6-T10 PolarHBondContact O-N 2.84Å; A6-T10 VanDerWaalsContact O-N 3.15Å; A6-T10 PolarHBondContact O-OG1 3.15Å; V7-T10 PolarHBondContact O-N 2.88Å; T10-A13 PolarHBondContact O-N 2.88Å; T10-L14 HydrophobicContact CG2-CD1 4.42Å; T10-L14 WeakPolarHBondContact O-CG 2.86Å; T10-L14 PolarHBondContact O-N 2.91Å; T10-L14 VanDerWaalsContact O-N 3.11Å
11	L	49.4	Very low	50.2	Low	99 Å²	99	94.8 Å²	94.8	52%	0.518	59%	0.585	S	S	.	*	H	α-helix	trans	-66.7	-40.1	174.3	-81.2	164.8	0	0	0	112.6	V7 A8 A13 L14 L15	V7-L11 HydrophobicContact CG1-CD1 4.13Å; V7-L11 PolarHBondContact O-N 2.89Å; V7-L11 VanDerWaalsContact O-N 3.08Å; A8-L11 PolarHBondContact O-N 2.87Å; L11-A13 PolarHBondContact O-N 2.83Å; L11-L14 PolarHBondContact O-N 2.79Å; L11-L15 WeakPolarHBondContact O-CB 3.5Å; L11-L15 WeakPolarHBondContact O-CG 3.32Å; L11-L15 PolarHBondContact O-N 3Å
12	A	51.6	Low	51	Low	64 Å²	64	87.5 Å²	87.5	53%	0.529	55%	0.551	S	S	.	*	H	α-helix	trans	-63.7	-39.1	175.7	0	0	0	0	0	112.2	A8 V9 G16	A8-A12 WeakPolarHBondContact O-CB 3.48Å; A8-A12 PolarHBondContact O-N 2.68Å; V9-A12 PolarHBondContact O-N 3.24Å; A12-G16 PolarHBondContact O-N 2.86Å
13	A	52.2	Low	51.2	Low	60 Å²	60	86.4 Å²	86.4	50%	0.496	55%	0.549	S	S	.	.	H	α-helix	trans	-64.5	-44.8	174.9	0	0	0	0	0	112.2	V9 T10 L11 G16 V17	V9-A13 WeakPolarHBondContact O-CB 3.41Å; V9-A13 PolarHBondContact O-N 3.22Å; T10-A13 PolarHBondContact O-N 2.88Å; L11-A13 PolarHBondContact O-N 2.83Å; A13-G16 PolarHBondContact O-N 2.82Å; A13-V17 WeakPolarHBondContact O-CG2 3.32Å; A13-V17 PolarHBondContact O-N 2.82Å
14	L	46.8	Very low	51.6	Low	115 Å²	115	83.1 Å²	83.1	60%	0.602	54%	0.54	S	S	*	.	H	α-helix	trans	-65	-41.1	178	-73	167.4	0	0	0	112.4	T10 L11 V17 A18	T10-L14 HydrophobicContact CG2-CD1 4.42Å; T10-L14 WeakPolarHBondContact O-CG 2.86Å; T10-L14 PolarHBondContact O-N 2.91Å; T10-L14 VanDerWaalsContact O-N 3.11Å; L11-L14 PolarHBondContact O-N 2.79Å; L14-V17 PolarHBondContact O-N 2.83Å; L14-A18 WeakPolarHBondContact O-CB 3.42Å; L14-A18 PolarHBondContact O-N 2.96Å
15	L	49.1	Very low	51.8	Low	116 Å²	116	83.2 Å²	83.2	61%	0.607	53%	0.534	S	S	*	.	H	α-helix	trans	-65.7	-39.6	173.1	-77.5	164.1	0	0	0	112.1	L11 V17 A18 V19	L11-L15 WeakPolarHBondContact O-CB 3.5Å; L11-L15 WeakPolarHBondContact O-CG 3.32Å; L11-L15 PolarHBondContact O-N 3Å; L15-V17 PolarHBondContact O-N 2.98Å; L15-A18 PolarHBondContact O-N 2.71Å; L15-V19 WeakPolarHBondContact O-CB 3.46Å; L15-V19 WeakPolarHBondContact O-CG2 3.32Å; L15-V19 PolarHBondContact O-N 3.02Å
16	G	47.3	Very low	51.8	Low	46 Å²	46	88.4 Å²	88.4	47%	0.474	54%	0.541	S	S	.	.	H	α-helix	trans	-60.8	-42.7	175.5	0	0	0	0	0	113	A12 A13 G20	A12-G16 PolarHBondContact O-N 2.86Å; A13-G16 PolarHBondContact O-N 2.82Å; G16-G20 PolarHBondContact O-N 2.76Å
17	V	61.5	Low	51.7	Low	114 Å²	114	87.8 Å²	87.8	69%	0.691	54%	0.536	S	S	*	.	H	α-helix	trans	-66.7	-42.7	175.5	173.2	0	0	0	0	111.4	A13 L14 L15 G20 G21	A13-V17 WeakPolarHBondContact O-CG2 3.32Å; A13-V17 PolarHBondContact O-N 2.82Å; L14-V17 PolarHBondContact O-N 2.83Å; L15-V17 PolarHBondContact O-N 2.98Å; V17-G20 PolarHBondContact O-N 2.84Å; V17-G21 PolarHBondContact O-N 2.78Å
18	A	56.7	Low	51.2	Low	59 Å²	59	86 Å²	86	49%	0.488	53%	0.531	S	S	.	.	H	α-helix	trans	-63.7	-44.1	177.8	0	0	0	0	0	112.8	L14 L15 G21 L22	L14-A18 WeakPolarHBondContact O-CB 3.42Å; L14-A18 PolarHBondContact O-N 2.96Å; L15-A18 PolarHBondContact O-N 2.71Å; A18-G21 PolarHBondContact O-N 2.89Å; A18-L22 PolarHBondContact O-N 3.07Å
19	V	60.3	Low	50.9	Low	98 Å²	98	88.5 Å²	88.5	59%	0.594	53%	0.532	S	S	*	.	H	α-helix	trans	-69.8	-40	177.8	174.2	0	0	0	0	111.4	L15 L22 A23	L15-V19 WeakPolarHBondContact O-CB 3.46Å; L15-V19 WeakPolarHBondContact O-CG2 3.32Å; L15-V19 PolarHBondContact O-N 3.02Å; V19-L22 PolarHBondContact O-N 3.46Å; V19-A23 WeakPolarHBondContact O-CB 3.34Å; V19-A23 PolarHBondContact O-N 3.48Å
20	G	53.2	Low	50.4	Low	32 Å²	32	94.1 Å²	94.1	33%	0.33	54%	0.542	S	S	.	.	H	α-helix	trans	-60.8	-42.6	173.5	0	0	0	0	0	112.7	G16 V17 A23 L24	G16-G20 PolarHBondContact O-N 2.76Å; V17-G20 PolarHBondContact O-N 2.84Å; G20-A23 PolarHBondContact O-N 3.17Å; G20-L24 WeakPolarHBondContact O-CG 3.14Å; G20-L24 PolarHBondContact O-N 3.07Å
21	G	54.2	Low	49.7	Very low	38 Å²	38	100.8 Å²	100.8	39%	0.392	56%	0.557	S	S	.	*	H	α-helix	trans	-60.6	-45.5	173.2	0	0	0	0	0	112.9	V17 A18 A23 L24 W25	V17-G21 PolarHBondContact O-N 2.78Å; A18-G21 PolarHBondContact O-N 2.89Å; G21-A23 PolarHBondContact O-N 3.27Å; G21-L24 PolarHBondContact O-N 2.85Å; G21-W25 WeakPolarHBondContact O-CB 3.33Å; G21-W25 PolarHBondContact O-N 3.11Å
22	L	56.2	Low	49	Very low	89 Å²	89	107.2 Å²	107.2	47%	0.466	58%	0.575	S	S	.	*	H	α-helix	trans	-64.1	-37.9	177	-119.2	87	0	0	0	112.9	A18 V19 R26	A18-L22 PolarHBondContact O-N 3.07Å; V19-L22 PolarHBondContact O-N 3.46Å; L22-R26 WeakPolarHBondContact O-CB 3.46Å; L22-R26 WeakPolarHBondContact O-CG 3.33Å; L22-R26 PolarHBondContact O-N 3.11Å
23	A	53.7	Low	48.2	Very low	60 Å²	60	107.1 Å²	107.1	50%	0.496	58%	0.58	S	S	.	*	H	α-helix	trans	-67.2	-45.1	177.5	0	0	0	0	0	111.8	V19 G20 G21 R26 A27	V19-A23 WeakPolarHBondContact O-CB 3.34Å; V19-A23 PolarHBondContact O-N 3.48Å; G20-A23 PolarHBondContact O-N 3.17Å; G21-A23 PolarHBondContact O-N 3.27Å; A23-R26 PolarHBondContact O-N 3.34Å; A23-A27 WeakPolarHBondContact O-CB 3.32Å; A23-A27 PolarHBondContact O-N 3.35Å
24	L	52.2	Low	47.3	Very low	131 Å²	131	113.6 Å²	113.6	69%	0.686	60%	0.597	S	S	*	*	H	α-helix	trans	-63.7	-39.7	175.2	-74.3	167.4	0	0	0	112	G20 G21 A27 A28	G20-L24 WeakPolarHBondContact O-CG 3.14Å; G20-L24 PolarHBondContact O-N 3.07Å; G21-L24 PolarHBondContact O-N 2.85Å; L24-A27 PolarHBondContact O-N 2.93Å; L24-A28 WeakPolarHBondContact O-CB 3.48Å; L24-A28 PolarHBondContact O-N 3.27Å
25	W	47.5	Very low	46.5	Very low	162 Å²	162	114 Å²	114	61%	0.614	61%	0.609	S	S	*	*	H	α-helix	trans	-65.4	-44.1	176.8	-175	38.1	0	0	0	112.5	G21 A27 A28 Q29	G21-W25 WeakPolarHBondContact O-CB 3.33Å; G21-W25 PolarHBondContact O-N 3.11Å; W25-A27 VanDerWaalsContact C-N 3.34Å; W25-A27 PolarHBondContact O-N 3.16Å; W25-A28 PolarHBondContact O-N 3.14Å; W25-Q29 PolarHBondContact O-N 2.93Å
26	R	44.7	Very low	45.3	Very low	166 Å²	166	114.6 Å²	114.6	63%	0.626	62%	0.622	S	S	*	*	H	α-helix	trans	-65.4	-34.8	173.9	-75.9	-179.6	172.7	-179.6	-1.1	112.6	L22 A23 R30	L22-R26 WeakPolarHBondContact O-CB 3.46Å; L22-R26 WeakPolarHBondContact O-CG 3.33Å; L22-R26 PolarHBondContact O-N 3.11Å; A23-R26 PolarHBondContact O-N 3.34Å; R26-R30 PolarHBondContact O-N 3.41Å; R26-R30 VanDerWaalsContact O-N 3.14Å
27	A	43.7	Very low	44.2	Very low	52 Å²	52	118.4 Å²	118.4	43%	0.43	64%	0.64	S	S	.	*	H	α-helix	trans	-67.1	-38.9	173.1	0	0	0	0	0	112.3	A23 L24 W25 R30 R31	A23-A27 WeakPolarHBondContact O-CB 3.32Å; A23-A27 PolarHBondContact O-N 3.35Å; L24-A27 PolarHBondContact O-N 2.93Å; W25-A27 VanDerWaalsContact C-N 3.34Å; W25-A27 PolarHBondContact O-N 3.16Å; A27-R30 PolarHBondContact O-N 2.86Å; A27-R31 PolarHBondContact O-N 2.97Å
28	A	42.3	Very low	42.5	Very low	54 Å²	54	118.3 Å²	118.3	45%	0.446	64%	0.644	S	S	.	*	H	α-helix	trans	-66.4	-40.9	174.9	0	0	0	0	0	112.4	L24 W25 R30 R31 R32	L24-A28 WeakPolarHBondContact O-CB 3.48Å; L24-A28 PolarHBondContact O-N 3.27Å; W25-A28 PolarHBondContact O-N 3.14Å; A28-R30 PolarHBondContact O-N 3.44Å; A28-R31 PolarHBondContact O-N 2.7Å; A28-R32 PolarHBondContact O-N 3.37Å
29	Q	42.8	Very low	41	Very low	112 Å²	112	121.2 Å²	121.2	52%	0.523	66%	0.661	S	S	.	*	H	α-helix	trans	-60.4	-42.9	173	-80.2	-177.5	-32.7	0	0	112.1	W25 R31 R32	W25-Q29 PolarHBondContact O-N 2.93Å; Q29-R31 PolarHBondContact O-N 2.92Å; Q29-R32 PolarHBondContact O-N 2.77Å; Q29-R32 VanDerWaalsContact O-N 3.15Å
30	R	40.7	Very low	39.5	Very low	221 Å²	221	125.1 Å²	125.1	83%	0.834	67%	0.673	S	S	*	*	H	α-helix	trans	-64.3	-22.2	177.1	-75.7	-177.7	175.8	-176.3	-1.4	114.2	R26 A27 A28	R26-R30 PolarHBondContact O-N 3.41Å; R26-R30 VanDerWaalsContact O-N 3.14Å; A27-R30 PolarHBondContact O-N 2.86Å; A28-R30 PolarHBondContact O-N 3.44Å
31	R	38.2	Very low	38.1	Very low	228 Å²	228	135.9 Å²	135.9	86%	0.86	70%	0.704	S	S	*	*	H	α-helix	trans	-84.9	-18.9	174	-72.9	-172.3	179.2	-174	0.9	114.4	A27 A28 Q29	A27-R31 PolarHBondContact O-N 2.97Å; A28-R31 PolarHBondContact O-N 2.7Å; Q29-R31 PolarHBondContact O-N 2.92Å
32	R	35.1	Very low	36.7	Very low	234 Å²	234	137.4 Å²	137.4	88%	0.883	72%	0.719	S	S	*	*	H	α-helix	trans	-87.3	-5.6	174.8	-75.2	-175.1	172.1	176.9	-2.1	114	A28 Q29 K34	A28-R32 PolarHBondContact O-N 3.37Å; Q29-R32 PolarHBondContact O-N 2.77Å; Q29-R32 VanDerWaalsContact O-N 3.15Å; R32-K34 PolarHBondContact O-N 2.74Å
33	G	33.6	Very low	35.2	Very low	63 Å²	63	143.1 Å²	143.1	65%	0.649	74%	0.744	S	S	*	*	S	Bend	trans	-87.7	25.8	-179.9	0	0	0	0	0	116.5
34	K	33.6	Very low	33.9	Very low	196 Å²	196	145.1 Å²	145.1	85%	0.852	76%	0.76	S	S	*	*	S	Bend	trans	-143.7	72	176.5	-82.3	-168	173.4	-176.3	0	112.7	R32	R32-K34 PolarHBondContact O-N 2.74Å
35	S	30.3	Very low	32.7	Very low	122 Å²	122	147 Å²	147	85%	0.853	77%	0.769	S	S	*	*			trans	-172.9	87.5	147.2	-171.2	0	0	0	0	110.4
36	C	24	Very low	31.5	Very low	129 Å²	129	149.9 Å²	149.9	87%	0.872	78%	0.78	S	S	*	*			trans	-157.4	132	153.6	-163.5	0	0	0	0	107.9
37	C	24.7	Very low	30.8	Very low	126 Å²	126	149.2 Å²	149.2	85%	0.851	79%	0.789	S	S	*	*			trans	-69.6	138.1	-175.8	-84.4	0	0	0	0	112
38	S	24.4	Very low	30.5	Very low	112 Å²	112	152.7 Å²	152.7	78%	0.783	81%	0.807	S	S	*	*			trans	-66.6	126.1	164.7	49.5	0	0	0	0	110.6
39	S	26.5	Very low	29.8	Very low	121 Å²	121	152.9 Å²	152.9	85%	0.846	81%	0.814	S	S	*	*			trans	-113.2	102.5	155.1	-172.2	0	0	0	0	107.9
40	Q	27.3	Very low	29	Very low	180 Å²	180	155.2 Å²	155.2	84%	0.841	83%	0.83	S	S	*	*			trans	-79.2	133.1	170.2	-73.6	-179.7	-19.4	0	0	108.5	G42	Q40-G42 PolarHBondContact O-N 2.71Å
41	R	24.3	Very low	28.4	Very low	258 Å²	258	153.7 Å²	153.7	97%	0.974	83%	0.832	S	S	*	*			trans	-66	115.5	161.9	-85.9	178.6	166.5	174.6	-5.6	108.2
42	G	25.1	Very low	27.7	Very low	70 Å²	70	151.2 Å²	151.2	72%	0.722	83%	0.831	S	S	*	*			trans	-116.4	124.3	161.2	0	0	0	0	0	108.8	Q40	Q40-G42 PolarHBondContact O-N 2.71Å
43	E	25.1	Very low	27.2	Very low	208 Å²	208	146.9 Å²	146.9	97%	0.972	82%	0.824	S	S	*	*			trans	-73	139.5	167.6	-67.4	171.3	116.2	0	0	109.4
44	A	25.1	Very low	26.8	Very low	102 Å²	102	149.5 Å²	149.5	84%	0.843	83%	0.828	S	S	*	*			trans	-139.7	126.1	170.3	0	0	0	0	0	111.4
45	I	26.9	Very low	26.4	Very low	170 Å²	170	149.4 Å²	149.4	87%	0.872	83%	0.83	S	S	*	*			trans	-57.5	152.6	-178.5	-70.5	155.2	0	0	0	113.1
46	R	23.7	Very low	26.1	Very low	224 Å²	224	147.4 Å²	147.4	85%	0.845	82%	0.821	S	S	*	*			trans	-75.2	143.5	173.8	-55.3	172.8	169.6	174	-5.3	112.4
47	N	28.5	Very low	26.3	Very low	151 Å²	151	149.7 Å²	149.7	81%	0.807	82%	0.819	S	S	*	*				169.1	167.5	108.6	-99.5	1.3	0	0	0	112.8
48	P	38.8	Very low	26.3	Very low	126 Å²	126	150.2 Å²	150.2	82%	0.818	81%	0.813	S	S	*	*			trans	-117.6	-178.1	-146.2	44.7	-37.4	0	0	0	116.8
49	G	26.2	Very low	26.4	Very low	58 Å²	58	154.5 Å²	154.5	60%	0.598	82%	0.818	S	S	*	*			trans	138.8	142.6	165.9	0	0	0	0	0	111
50	D	26.4	Very low	26.7	Very low	161 Å²	161	157.7 Å²	157.7	86%	0.861	82%	0.82	S	S	*	*			cis	-159.1	-176.5	-10.5	-89.3	-43.6	0	0	0	108.8
51	E	28.3	Very low	26.7	Very low	188 Å²	188	155.3 Å²	155.3	88%	0.879	82%	0.817	S	S	*	*			trans	80	75.8	161.2	-51.3	-160	146.6	0	0	120.6
52	E	24.6	Very low	26.9	Very low	176 Å²	176	150.4 Å²	150.4	82%	0.822	81%	0.809	S	S	*	*				29.1	155.3	114	-140.1	169.5	-137.9	0	0	124.6
53	L	24.2	Very low	27.1	Very low	143 Å²	143	151.2 Å²	151.2	75%	0.749	80%	0.804	S	S	*	*			trans	75.2	145.7	168.9	-48.3	169.5	0	0	0	115.9
54	T	24.2	Very low	27.2	Very low	118 Å²	118	150 Å²	150	72%	0.724	80%	0.796	S	S	*	*			cis	-170	166	-12.3	28.8	0	0	0	0	106.4
55	E	25.2	Very low	27.6	Very low	194 Å²	194	154.2 Å²	154.2	91%	0.907	80%	0.796	S	S	*	*			cis	-144.2	-121.8	8.1	-149.4	168	-158.1	0	0	111.9
56	A	25.2	Very low	27.7	Very low	80 Å²	80	149.9 Å²	149.9	66%	0.661	79%	0.793	S	S	*	*			trans	-132.7	165.6	-174.7	0	0	0	0	0	115.7
57	E	26.9	Very low	28.5	Very low	177 Å²	177	142.8 Å²	142.8	83%	0.827	78%	0.778	S	S	*	*			trans	79.3	135.8	149.5	-77.3	167	-174.9	0	0	124.2
58	D	25.9	Very low	29.6	Very low	137 Å²	137	140 Å²	140	73%	0.733	77%	0.768	S	S	*	*			trans	57.1	103.8	147.9	-68.9	2	0	0	0	123.1
59	K	25.9	Very low	30.1	Very low	202 Å²	202	135.7 Å²	135.7	88%	0.878	74%	0.739	S	S	*	*				-168.3	119.9	97.2	-100.8	154	-172.4	162.9	0	114.1
60	E	33.4	Very low	31.5	Very low	188 Å²	188	137.1 Å²	137.1	88%	0.879	73%	0.733	S	S	*	*			trans	-62.5	138.3	145.6	-75.6	-168.3	122.6	0	0	109.5
61	V	27.8	Very low	33.6	Very low	130 Å²	130	132.9 Å²	132.9	79%	0.788	72%	0.716	S	S	*	*			trans	168.6	132.7	131.4	153.3	0	0	0	0	108.7
62	L	26.5	Very low	36	Very low	155 Å²	155	125.5 Å²	125.5	81%	0.812	68%	0.68	S	S	*	*			trans	80.7	71.6	177.8	-62.6	162.4	0	0	0	118.6
63	S	30.7	Very low	38.9	Very low	88 Å²	88	117.8 Å²	117.8	62%	0.615	65%	0.645	S	S	*	*				19	141.9	120.1	62	0	0	0	0	121.2
64	F	27	Very low	41.9	Very low	181 Å²	181	116.6 Å²	116.6	79%	0.794	64%	0.636	S	S	*	*				-173.2	122.1	118.3	-107.6	-144.7	0	0	0	114.5
65	F	33	Very low	45	Very low	191 Å²	191	117.2 Å²	117.2	84%	0.838	63%	0.625	S	S	*	*			trans	57.6	105.9	155.7	-65.8	-87.7	0	0	0	123.7
66	G	30	Very low	48.2	Very low	80 Å²	80	108.1 Å²	108.1	83%	0.825	58%	0.582	S	S	*	*			trans	-170.8	97.5	153.2	0	0	0	0	0	110.8
67	S	40.1	Very low	51.4	Low	75 Å²	75	106.4 Å²	106.4	52%	0.524	56%	0.562	S	S	.	*			trans	-92.6	131.5	-164.9	-172.3	0	0	0	0	114.4	T69	S67-T69 PolarHBondContact O-N 3.28Å; S67-T69 VanDerWaalsContact O-N 3.14Å; S67-T69 PolarHBondContact OG-N 2.72Å; S67-T69 PolarHBondContact OG-OG1 3.49Å
68	P	51.4	Low	54.5	Low	93 Å²	93	101.2 Å²	101.2	60%	0.604	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-9.4	176.4	27.5	-34.8	0	0	0	114.5	L70 S71	P68-L70 PolarHBondContact O-N 2.83Å; P68-S71 PolarHBondContact O-N 3.39Å; P68-S71 PolarHBondContact O-OG 3.43Å
69	T	50.1	Low	57.7	Low	34 Å²	34	95.9 Å²	95.9	21%	0.209	53%	0.531	C	S	.	.	H	α-helix	trans	-65.6	-31.9	-173.6	-32	0	0	0	0	114.1	S67 A263	S67-T69 PolarHBondContact O-N 3.28Å; S67-T69 VanDerWaalsContact O-N 3.14Å; S67-T69 PolarHBondContact OG-N 2.72Å; S67-T69 PolarHBondContact OG-OG1 3.49Å; T69-A263 HydrophobicContact CG2-CB 3.79Å
70	L	54.8	Low	61.1	Low	88 Å²	88	92.2 Å²	92.2	46%	0.461	52%	0.521	S	S	.	.	H	α-helix	trans	-63.1	-44	-179.8	-80.2	160.8	0	0	0	111.6	P68 R72 V73 E74	P68-L70 PolarHBondContact O-N 2.83Å; L70-R72 VanDerWaalsContact C-N 3.25Å; L70-R72 PolarHBondContact O-N 3.06Å; L70-R72 VanDerWaalsContact O-N 3.09Å; L70-V73 PolarHBondContact O-N 2.98Å; L70-E74 WeakPolarHBondContact O-CG 3.35Å; L70-E74 PolarHBondContact O-N 2.81Å
71	S	70.7	Confident	64.2	Low	73 Å²	73	85.8 Å²	85.8	51%	0.51	49%	0.492	S	S	.	.	H	α-helix	trans	-54.5	-35.1	-175.2	70	0	0	0	0	114.5	P68 R75	P68-S71 PolarHBondContact O-N 3.39Å; P68-S71 PolarHBondContact O-OG 3.43Å; S71-R75 VanDerWaalsContact O-CB 3.3Å; S71-R75 WeakPolarHBondContact O-CB 3.31Å; S71-R75 PolarHBondContact O-N 2.97Å; S71-R75 VanDerWaalsContact O-N 3.07Å
72	R	78.6	Confident	67.5	Low	32 Å²	32	81.9 Å²	81.9	12%	0.121	47%	0.468	C	S	.	.	H	α-helix	trans	-79.5	-36.2	179.4	-173.4	172.2	-177	149.7	0.1	112.6	L70 I76 F262 A263 L265	L70-R72 VanDerWaalsContact C-N 3.25Å; L70-R72 PolarHBondContact O-N 3.06Å; L70-R72 VanDerWaalsContact O-N 3.09Å; R72-I76 HydrophobicContact CG-CD1 4.24Å; R72-I76 WeakPolarHBondContact O-CG1 3.5Å; R72-I76 PolarHBondContact O-N 3.48Å; R72-F262 PolarHBondContact NH1-O 3.19Å; R72-A263 WeakPolarHBondContact CD-O 3.48Å; R72-L265 PolarHBondContact NH1-O 2.84Å
73	V	85.7	Confident	70.9	Confident	15 Å²	15	77.6 Å²	77.6	9%	0.091	45%	0.445	C	S	.	.	H	α-helix	trans	-67.9	-46.7	176.1	178.2	0	0	0	0	109.2	L70 R75 I76 L77 L217	L70-V73 PolarHBondContact O-N 2.98Å; V73-R75 VanDerWaalsContact C-N 3.33Å; V73-R75 PolarHBondContact O-N 3.11Å; V73-I76 PolarHBondContact O-N 3.37Å; V73-I76 VanDerWaalsContact O-N 3.12Å; V73-L77 HydrophobicContact CG1-CD1 3.82Å; V73-L77 HydrophobicContact CG1-CG 4.38Å; V73-L77 VanDerWaalsContact O-CG 3.29Å; V73-L77 WeakPolarHBondContact O-CG 3.44Å; V73-L77 PolarHBondContact O-N 2.93Å; V73-L217 HydrophobicContact CG1-CB 4.39Å; V73-L217 HydrophobicContact CG1-CD1 4.28Å; V73-L217 HydrophobicContact CG2-CD2 4.12Å
74	E	87.4	Confident	74.1	Confident	117 Å²	117	73.4 Å²	73.4	55%	0.547	42%	0.416	S	S	.	.	H	α-helix	trans	-57	-44.4	174.6	-69.7	164.5	169.9	0	0	111.6	L70 I76 L77 G78	L70-E74 WeakPolarHBondContact O-CG 3.35Å; L70-E74 PolarHBondContact O-N 2.81Å; E74-I76 PolarHBondContact O-N 2.74Å; E74-L77 PolarHBondContact O-N 3.12Å; E74-G78 PolarHBondContact O-N 3.48Å
75	R	89.7	Confident	77.4	Confident	132 Å²	132	65.5 Å²	65.5	50%	0.498	38%	0.383	S	S	.	.	H	α-helix	trans	-62.5	-38.8	174.9	-172.2	179.5	68.8	-164.5	0.1	113.3	S71 V73 L77 A79	S71-R75 VanDerWaalsContact O-CB 3.3Å; S71-R75 WeakPolarHBondContact O-CB 3.31Å; S71-R75 PolarHBondContact O-N 2.97Å; S71-R75 VanDerWaalsContact O-N 3.07Å; V73-R75 VanDerWaalsContact C-N 3.33Å; V73-R75 PolarHBondContact O-N 3.11Å; R75-L77 VanDerWaalsContact C-N 3.34Å; R75-A79 WeakPolarHBondContact O-CB 3.25Å; R75-A79 PolarHBondContact O-N 3.1Å
76	I	92.2	Very high	80.4	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.01	37%	0.367	C	S	.	.	H	α-helix	trans	-67	-37.2	177	-75.3	167.7	0	0	0	111.2	R72 V73 E74 G133 Q250 V253 A254 L257	R72-I76 HydrophobicContact CG-CD1 4.24Å; R72-I76 WeakPolarHBondContact O-CG1 3.5Å; R72-I76 PolarHBondContact O-N 3.48Å; V73-I76 PolarHBondContact O-N 3.37Å; V73-I76 VanDerWaalsContact O-N 3.12Å; E74-I76 PolarHBondContact O-N 2.74Å; I76-G133 WeakPolarHBondContact O-CA 3.33Å; I76-Q250 HydrophobicContact CG2-CB 4.05Å; I76-Q250 WeakPolarHBondContact CG2-O 3.46Å; I76-Q250 PolarHBondContact O-NE2 3.21Å; I76-V253 HydrophobicContact CG2-CG1 4.25Å; I76-A254 HydrophobicContact CD1-CB 4.19Å; I76-A254 HydrophobicContact CG2-CB 4.16Å; I76-L257 HydrophobicContact CD1-CD1 4.17Å
77	L	92.1	Very high	83.4	Confident	45 Å²	45	60 Å²	60	24%	0.236	34%	0.338	C	S	.	.	H	α-helix	trans	-82	-23.3	-179.4	-60.8	172.9	0	0	0	113.5	V73 E74 R75 C219 K247 Q250 V251	V73-L77 HydrophobicContact CG1-CD1 3.82Å; V73-L77 HydrophobicContact CG1-CG 4.38Å; V73-L77 VanDerWaalsContact O-CG 3.29Å; V73-L77 WeakPolarHBondContact O-CG 3.44Å; V73-L77 PolarHBondContact O-N 2.93Å; E74-L77 PolarHBondContact O-N 3.12Å; R75-L77 VanDerWaalsContact C-N 3.34Å; L77-C219 VanDerWaalsContact CD1-SG 3.57Å; L77-K247 HydrophobicContact CD2-CG 4.1Å; L77-Q250 HydrophobicContact CD2-CB 3.89Å; L77-V251 HydrophobicContact CD2-CG2 3.61Å
78	G	90.9	Very high	86	Confident	68 Å²	68	60.6 Å²	60.6	70%	0.701	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	6.4	174.8	0	0	0	0	0	114.4	E74	E74-G78 PolarHBondContact O-N 3.48Å
79	A	93.9	Very high	88.2	Confident	25 Å²	25	59.2 Å²	59.2	21%	0.207	32%	0.319	C	S	.	.	S	Bend	trans	-78.6	159.3	178	0	0	0	0	0	112.3	R75 Q250	R75-A79 WeakPolarHBondContact O-CB 3.25Å; R75-A79 PolarHBondContact O-N 3.1Å; A79-Q250 PolarHBondContact O-NE2 3.06Å
80	D	96.5	Very high	90.5	Very high	124 Å²	124	57.7 Å²	57.7	66%	0.663	31%	0.309	S	S	*	.			trans	-57.8	143.8	-172.8	-61.9	-42.3	0	0	0	113.7	L134 C135	D80-L134 HydrophobicContact CB-CD1 4.1Å; D80-L134 WeakPolarHBondContact O-CA 3.18Å; D80-C135 PolarHBondContact O-N 2.82Å
81	I	98.4	Very high	92.5	Very high	53 Å²	53	60.1 Å²	60.1	27%	0.272	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.5	176	-56.2	167.4	0	0	0	107.9	C135 L137 V242 L243 A246	I81-C135 CarbonylContact C-O 3.51Å; I81-C135 WeakPolarHBondContact CA-O 3.31Å; I81-C135 HydrophobicContact CG1-CB 4.5Å; I81-L137 HydrophobicContact CG2-CD1 3.52Å; I81-L137 HydrophobicContact CG2-CG 3.86Å; I81-V242 HydrophobicContact CG2-CG1 3.87Å; I81-L243 HydrophobicContact CD1-CD2 3.94Å; I81-A246 HydrophobicContact CB-CB 4.49Å; I81-A246 HydrophobicContact CD1-CB 3.45Å; I81-A246 VanDerWaalsContact CD1-CB 3.45Å; I81-A246 HydrophobicContact CG1-CB 3.7Å; I81-A246 HydrophobicContact CG2-CB 3.96Å
82	V	98.1	Very high	93.7	Very high	49 Å²	49	65.6 Å²	65.6	30%	0.297	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	119.9	-178.8	-178	0	0	0	0	109.2	V84 V93 L134 C135 V136 L137	V82-V84 HydrophobicContact CG1-CG2 4.35Å; V82-V93 HydrophobicContact CB-CG2 4.3Å; V82-V93 HydrophobicContact CG1-CB 4.33Å; V82-V93 HydrophobicContact CG1-CG2 4.14Å; V82-V93 HydrophobicContact CG2-CG2 4.34Å; V82-L134 HydrophobicContact CG2-CD1 3.99Å; V82-C135 PolarHBondContact N-O 3.03Å; V82-V136 CarbonylContact O-C 3.58Å; V82-V136 WeakPolarHBondContact O-CA 3.45Å; V82-L137 PolarHBondContact O-N 3.31Å
83	I	98.3	Very high	94.6	Very high	64 Å²	64	64.3 Å²	64.3	33%	0.328	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	137.1	172.7	-54.2	174.9	0	0	0	108.4	L137 R139 V242	I83-L137 WeakPolarHBondContact CA-O 3.45Å; I83-L137 HydrophobicContact CG1-CB 4.46Å; I83-L137 HydrophobicContact CG1-CD1 4.39Å; I83-R139 HydrophobicContact CG2-CG 3.95Å; I83-V242 HydrophobicContact CD1-CG1 4.4Å; I83-V242 HydrophobicContact CD1-CG2 3.66Å
84	V	97.9	Very high	95.2	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	109.7	177.2	173.6	0	0	0	0	108.3	V82 E89 W90 V93 V136 L137 I138 R139	V82-V84 HydrophobicContact CG1-CG2 4.35Å; V84-E89 HydrophobicContact CG1-CB 4.27Å; V84-E89 HydrophobicContact CG2-CB 4.37Å; V84-W90 HydrophobicContact CG1-CB 3.86Å; V84-V93 HydrophobicContact CG2-CG1 3.88Å; V84-V136 HydrophobicContact CB-CG1 4.49Å; V84-V136 HydrophobicContact CG2-CG1 3.68Å; V84-L137 PolarHBondContact N-O 3.46Å; V84-I138 HydrophobicContact CB-CG1 4.23Å; V84-I138 WeakPolarHBondContact O-CA 3.5Å; V84-R139 PolarHBondContact O-N 2.82Å
85	S	96	Very high	95.6	Very high	15 Å²	15	62.5 Å²	62.5	11%	0.105	31%	0.314	C	S	.	.			trans	-105.5	-24.5	173.3	-54.7	0	0	0	0	112.2	E89 R139 R142 L143	S85-E89 WeakPolarHBondContact CA-OE2 3.33Å; S85-E89 PolarHBondContact N-OE2 3.25Å; S85-R139 WeakPolarHBondContact OG-CD 3.41Å; S85-R142 CarbonylContact O-C 3.48Å; S85-R142 VanDerWaalsContact O-C 3.26Å; S85-R142 WeakPolarHBondContact O-CB 3.46Å; S85-L143 WeakPolarHBondContact O-CA 3.25Å; S85-L143 PolarHBondContact O-N 3.41Å
86	E	94.9	Very high	95.9	Very high	108 Å²	108	61 Å²	61	51%	0.505	32%	0.315	S	S	.	.	S	Bend	trans	-128.4	161.3	-173.8	-62.3	-175	-175.3	0	0	113.5	E88 E89 W90 L143	E86-E88 VanDerWaalsContact C-N 3.34Å; E86-E88 PolarHBondContact O-N 2.68Å; E86-E89 HydrophobicContact CB-CG 4.39Å; E86-E89 PolarHBondContact N-OE2 3.47Å; E86-E89 PolarHBondContact O-N 2.79Å; E86-W90 PolarHBondContact O-N 2.86Å; E86-L143 VanDerWaalsContact C-CD1 3.44Å
87	Q	94.1	Very high	96.1	Very high	47 Å²	47	61 Å²	61	22%	0.22	32%	0.315	C	S	.	.	H	α-helix	trans	-65	-32.8	-179.2	-66	-169.7	38	0	0	113.7	E89 W90 R91 L143 P151	Q87-E89 VanDerWaalsContact C-N 3.35Å; Q87-W90 WeakPolarHBondContact O-CB 3.16Å; Q87-W90 PolarHBondContact O-N 2.77Å; Q87-R91 WeakPolarHBondContact O-CG 3.49Å; Q87-R91 PolarHBondContact O-N 3.37Å; Q87-L143 HydrophobicContact CG-CD1 4.03Å; Q87-P151 HydrophobicContact CG-CG 4.19Å
88	E	94.8	Very high	96.3	Very high	88 Å²	88	63.5 Å²	63.5	41%	0.411	32%	0.322	S	S	.	.	H	α-helix	trans	-69.8	-34.5	178.9	-57.3	-52.3	148.7	0	0	111.9	E86 R91 R92	E86-E88 VanDerWaalsContact C-N 3.34Å; E86-E88 PolarHBondContact O-N 2.68Å; E88-R91 PolarHBondContact O-N 3.18Å; E88-R91 IonicContact OE1-CZ 3.85Å; E88-R91 IonicContact OE1-NH1 3.47Å; E88-R91 PolarHBondContact OE1-NH1 2.89Å; E88-R91 IonicContact OE1-NH2 3.88Å; E88-R91 PolarHBondContact OE1-NH2 3.32Å; E88-R91 WeakPolarHBondContact OE2-CD 3.38Å; E88-R91 IonicContact OE2-CZ 2.67Å; E88-R91 IonicContact OE2-NE 3.71Å; E88-R91 IonicContact OE2-NH1 2.73Å; E88-R91 PolarHBondContact OE2-NH1 3.05Å; E88-R92 WeakPolarHBondContact O-CG 3.39Å; E88-R92 PolarHBondContact O-N 2.94Å; E88-R92 VanDerWaalsContact O-N 3.16Å
89	E	97.1	Very high	96.4	Very high	65 Å²	65	67.4 Å²	67.4	30%	0.304	32%	0.319	S	S	.	.	H	α-helix	trans	-65.7	-42.5	173.2	-59.1	175.2	132.4	0	0	110.5	V84 S85 E86 Q87 R91 R92 V93	V84-E89 HydrophobicContact CG1-CB 4.27Å; V84-E89 HydrophobicContact CG2-CB 4.37Å; S85-E89 WeakPolarHBondContact CA-OE2 3.33Å; S85-E89 PolarHBondContact N-OE2 3.25Å; E86-E89 HydrophobicContact CB-CG 4.39Å; E86-E89 PolarHBondContact N-OE2 3.47Å; E86-E89 PolarHBondContact O-N 2.79Å; Q87-E89 VanDerWaalsContact C-N 3.35Å; E89-R91 PolarHBondContact O-N 3.08Å; E89-R92 PolarHBondContact O-N 2.82Å; E89-V93 PolarHBondContact O-N 3.46Å
90	W	97.4	Very high	96.3	Very high	2 Å²	2	67.4 Å²	67.4	1%	0.008	32%	0.315	C	S	.	.	H	α-helix	trans	-58	-46.4	172	176.8	-109.7	0	0	0	112	V84 E86 Q87 R92 V93 E94 L97 M128 V136 I138 P151 T153 L154 I157	V84-W90 HydrophobicContact CG1-CB 3.86Å; E86-W90 PolarHBondContact O-N 2.86Å; Q87-W90 WeakPolarHBondContact O-CB 3.16Å; Q87-W90 PolarHBondContact O-N 2.77Å; W90-R92 PolarHBondContact O-N 3.42Å; W90-V93 HydrophobicContact CE3-CG1 3.89Å; W90-V93 HydrophobicContact CZ3-CG1 4.21Å; W90-V93 PolarHBondContact O-N 3.4Å; W90-E94 HydrophobicContact CD2-CB 4.23Å; W90-E94 HydrophobicContact CH2-CB 4.28Å; W90-E94 HydrophobicContact CH2-CG 4.17Å; W90-E94 HydrophobicContact CZ2-CB 3.76Å; W90-E94 HydrophobicContact CZ2-CG 3.43Å; W90-E94 VanDerWaalsContact CZ2-CG 3.43Å; W90-E94 VanDerWaalsContact O-CB 3.24Å; W90-E94 WeakPolarHBondContact O-CB 3.32Å; W90-E94 PolarHBondContact O-N 3.15Å; W90-L97 HydrophobicContact CH2-CD2 4.07Å; W90-L97 HydrophobicContact CZ3-CD2 4.35Å; W90-M128 HydrophobicContact CH2-CE 4.18Å; W90-M128 HydrophobicContact CZ3-CE 3.9Å; W90-V136 HydrophobicContact CZ3-CG1 4.49Å; W90-I138 HydrophobicContact CE3-CD1 3.83Å; W90-I138 HydrophobicContact CZ3-CD1 3.75Å; W90-P151 HydrophobicContact CB-CG 4.49Å; W90-P151 HydrophobicContact CG-CB 4.28Å; W90-P151 HydrophobicContact CG-CG 4.12Å; W90-T153 PolarHBondContact NE1-OG1 3.49Å; W90-L154 HydrophobicContact CD2-CB 4.4Å; W90-L154 HydrophobicContact CH2-CB 4.1Å; W90-L154 HydrophobicContact CH2-CD1 3.65Å; W90-L154 HydrophobicContact CH2-CG 4.41Å; W90-L154 VanDerWaalsContact CZ2-CA 3.46Å; W90-L154 HydrophobicContact CZ2-CB 3.53Å; W90-L154 HydrophobicContact CZ2-CD1 4Å; W90-L154 HydrophobicContact CZ2-CG 4.32Å; W90-L154 HydrophobicContact CZ3-CD1 4.04Å; W90-I157 HydrophobicContact CH2-CD1 4.12Å; W90-I157 HydrophobicContact CZ2-CD1 4.1Å
91	R	96.8	Very high	96.2	Very high	138 Å²	138	62.2 Å²	62.2	52%	0.521	29%	0.287	S	S	.	.	H	α-helix	trans	-61	-28.3	178.4	-71.6	176.1	-161.3	159.9	10.7	113.5	Q87 E88 E89 P95	Q87-R91 WeakPolarHBondContact O-CG 3.49Å; Q87-R91 PolarHBondContact O-N 3.37Å; E88-R91 PolarHBondContact O-N 3.18Å; E88-R91 IonicContact OE1-CZ 3.85Å; E88-R91 IonicContact OE1-NH1 3.47Å; E88-R91 PolarHBondContact OE1-NH1 2.89Å; E88-R91 IonicContact OE1-NH2 3.88Å; E88-R91 PolarHBondContact OE1-NH2 3.32Å; E88-R91 WeakPolarHBondContact OE2-CD 3.38Å; E88-R91 IonicContact OE2-CZ 2.67Å; E88-R91 IonicContact OE2-NE 3.71Å; E88-R91 IonicContact OE2-NH1 2.73Å; E88-R91 PolarHBondContact OE2-NH1 3.05Å; E89-R91 PolarHBondContact O-N 3.08Å; R91-P95 VanDerWaalsContact O-CD 3.3Å; R91-P95 WeakPolarHBondContact O-CD 3.41Å
92	R	97.4	Very high	95.8	Very high	189 Å²	189	63.1 Å²	63.1	71%	0.713	31%	0.31	S	S	*	.	H	α-helix	trans	-76.4	-39.9	175.9	-67.7	169	-169.6	170.1	5.2	112.6	E88 E89 W90	E88-R92 WeakPolarHBondContact O-CG 3.39Å; E88-R92 PolarHBondContact O-N 2.94Å; E88-R92 VanDerWaalsContact O-N 3.16Å; E89-R92 PolarHBondContact O-N 2.82Å; W90-R92 PolarHBondContact O-N 3.42Å
93	V	97.3	Very high	95.3	Very high	5 Å²	5	65.9 Å²	65.9	3%	0.03	32%	0.318	C	S	.	.	H	α-helix	trans	-88.5	-25.9	-175.8	74.8	0	0	0	0	113.8	V82 V84 E89 W90 L96 L97 V136	V82-V93 HydrophobicContact CB-CG2 4.3Å; V82-V93 HydrophobicContact CG1-CB 4.33Å; V82-V93 HydrophobicContact CG1-CG2 4.14Å; V82-V93 HydrophobicContact CG2-CG2 4.34Å; V84-V93 HydrophobicContact CG2-CG1 3.88Å; E89-V93 PolarHBondContact O-N 3.46Å; W90-V93 HydrophobicContact CE3-CG1 3.89Å; W90-V93 HydrophobicContact CZ3-CG1 4.21Å; W90-V93 PolarHBondContact O-N 3.4Å; V93-L96 WeakPolarHBondContact O-CB 3.1Å; V93-L96 PolarHBondContact O-N 2.85Å; V93-L96 VanDerWaalsContact O-N 3.13Å; V93-L97 PolarHBondContact O-N 2.87Å; V93-V136 HydrophobicContact CG1-CG1 4.1Å; V93-V136 HydrophobicContact CG2-CG2 3.79Å
94	E	97.1	Very high	94.9	Very high	24 Å²	24	64.7 Å²	64.7	11%	0.112	31%	0.309	C	S	.	.	H	α-helix	trans	-56.1	-43.5	-177.5	-172.9	-95	-159.1	0	0	114.1	W90 L96 L97 R98 T153 I157	W90-E94 HydrophobicContact CD2-CB 4.23Å; W90-E94 HydrophobicContact CH2-CB 4.28Å; W90-E94 HydrophobicContact CH2-CG 4.17Å; W90-E94 HydrophobicContact CZ2-CB 3.76Å; W90-E94 HydrophobicContact CZ2-CG 3.43Å; W90-E94 VanDerWaalsContact CZ2-CG 3.43Å; W90-E94 VanDerWaalsContact O-CB 3.24Å; W90-E94 WeakPolarHBondContact O-CB 3.32Å; W90-E94 PolarHBondContact O-N 3.15Å; E94-L96 VanDerWaalsContact C-N 3.34Å; E94-L96 PolarHBondContact O-N 2.97Å; E94-L97 PolarHBondContact O-N 3.5Å; E94-R98 VanDerWaalsContact CD-NE 3.33Å; E94-R98 WeakPolarHBondContact O-CG 3.23Å; E94-R98 PolarHBondContact O-N 3.42Å; E94-R98 IonicContact OE1-CZ 2.74Å; E94-R98 IonicContact OE1-NE 3.88Å; E94-R98 PolarHBondContact OE1-NE 2.99Å; E94-R98 IonicContact OE1-NH2 3.7Å; E94-R98 PolarHBondContact OE1-NH2 3.41Å; E94-R98 IonicContact OE2-NE 3.37Å; E94-T153 WeakPolarHBondContact OE1-CB 3.41Å; E94-T153 WeakPolarHBondContact OE1-CG2 3.46Å; E94-I157 HydrophobicContact CG-CD1 4.25Å
95	P	97.4	Very high	94.8	Very high	70 Å²	70	65.9 Å²	65.9	46%	0.455	32%	0.317	S	S	.	.	H	α-helix	trans	-66.6	-34.6	177.5	-23.2	35.5	0	0	0	112.9	R91 K99	R91-P95 VanDerWaalsContact O-CD 3.3Å; R91-P95 WeakPolarHBondContact O-CD 3.41Å; P95-K99 WeakPolarHBondContact O-CB 3.11Å; P95-K99 PolarHBondContact O-N 2.91Å
96	L	95.8	Very high	94.8	Very high	101 Å²	101	65.1 Å²	65.1	53%	0.529	31%	0.312	S	S	.	.	H	α-helix	trans	-66.2	-46.6	175.8	-58.3	176.6	0	0	0	110.2	V93 E94 R98 K99 E100 L134	V93-L96 WeakPolarHBondContact O-CB 3.1Å; V93-L96 PolarHBondContact O-N 2.85Å; V93-L96 VanDerWaalsContact O-N 3.13Å; E94-L96 VanDerWaalsContact C-N 3.34Å; E94-L96 PolarHBondContact O-N 2.97Å; L96-R98 PolarHBondContact O-N 2.99Å; L96-K99 WeakPolarHBondContact O-CB 3.31Å; L96-K99 PolarHBondContact O-N 2.94Å; L96-E100 PolarHBondContact O-N 3.08Å; L96-E100 VanDerWaalsContact O-N 3.13Å; L96-L134 HydrophobicContact CB-CD2 4.42Å
97	L	96.3	Very high	95	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.5	-41.8	177.2	-170.1	64.1	0	0	0	111.5	W90 V93 E94 K99 E100 L101 L107 M128 V136 I157	W90-L97 HydrophobicContact CH2-CD2 4.07Å; W90-L97 HydrophobicContact CZ3-CD2 4.35Å; V93-L97 PolarHBondContact O-N 2.87Å; E94-L97 PolarHBondContact O-N 3.5Å; L97-K99 PolarHBondContact O-N 3.4Å; L97-E100 PolarHBondContact O-N 3.44Å; L97-L101 HydrophobicContact CG-CD1 4.33Å; L97-L101 VanDerWaalsContact O-CG 3.3Å; L97-L101 WeakPolarHBondContact O-CG 3.49Å; L97-L101 PolarHBondContact O-N 3.17Å; L97-L107 HydrophobicContact CD1-CD2 3.88Å; L97-M128 HydrophobicContact CD2-CE 3.97Å; L97-V136 HydrophobicContact CD1-CG2 4.48Å; L97-V136 HydrophobicContact CD2-CG2 4.45Å; L97-I157 HydrophobicContact CD2-CD1 4.49Å
98	R	95.4	Very high	95.2	Very high	99 Å²	99	57.8 Å²	57.8	37%	0.374	28%	0.277	S	S	.	.	H	α-helix	trans	-60.8	-40.6	173.5	-76.5	-163.3	-171.3	-67.3	-18.9	112.9	E94 L96 E100 L101 G102 T153 I157	E94-R98 VanDerWaalsContact CD-NE 3.33Å; E94-R98 WeakPolarHBondContact O-CG 3.23Å; E94-R98 PolarHBondContact O-N 3.42Å; E94-R98 IonicContact OE1-CZ 2.74Å; E94-R98 IonicContact OE1-NE 3.88Å; E94-R98 PolarHBondContact OE1-NE 2.99Å; E94-R98 IonicContact OE1-NH2 3.7Å; E94-R98 PolarHBondContact OE1-NH2 3.41Å; E94-R98 IonicContact OE2-NE 3.37Å; L96-R98 PolarHBondContact O-N 2.99Å; R98-E100 VanDerWaalsContact C-N 3.31Å; R98-E100 PolarHBondContact O-N 3.34Å; R98-L101 PolarHBondContact O-N 3.41Å; R98-G102 PolarHBondContact O-N 3.22Å; R98-T153 PolarHBondContact NH2-O 3.28Å; R98-I157 HydrophobicContact CG-CD1 4.31Å
99	K	93.8	Very high	95.3	Very high	149 Å²	149	53.7 Å²	53.7	65%	0.648	26%	0.258	S	S	*	.	H	α-helix	trans	-62.4	-38.3	177.7	-173.7	178.1	-179	178.9	0	111.9	P95 L96 L97	P95-K99 WeakPolarHBondContact O-CB 3.11Å; P95-K99 PolarHBondContact O-N 2.91Å; L96-K99 WeakPolarHBondContact O-CB 3.31Å; L96-K99 PolarHBondContact O-N 2.94Å; L97-K99 PolarHBondContact O-N 3.4Å
100	E	92.5	Very high	95.4	Very high	26 Å²	26	51.8 Å²	51.8	12%	0.121	25%	0.25	C	S	.	.	H	α-helix	trans	-70.7	-40.8	174.8	-67.3	-59.2	107.9	0	0	112.2	L96 L97 R98 G102 K103 W104 S132	L96-E100 PolarHBondContact O-N 3.08Å; L96-E100 VanDerWaalsContact O-N 3.13Å; L97-E100 PolarHBondContact O-N 3.44Å; R98-E100 VanDerWaalsContact C-N 3.31Å; R98-E100 PolarHBondContact O-N 3.34Å; E100-G102 VanDerWaalsContact C-N 3.3Å; E100-G102 PolarHBondContact O-N 3.33Å; E100-K103 PolarHBondContact O-N 3.02Å; E100-K103 VanDerWaalsContact O-N 3.13Å; E100-K103 IonicContact OE1-NZ 2.78Å; E100-K103 PolarHBondContact OE1-NZ 2.88Å; E100-K103 IonicContact OE2-NZ 2.83Å; E100-W104 PolarHBondContact O-N 3.17Å; E100-W104 VanDerWaalsContact O-N 3.15Å; E100-S132 WeakPolarHBondContact OE2-CB 3.44Å; E100-S132 PolarHBondContact OE2-OG 3.47Å
101	L	94	Very high	95.4	Very high	14 Å²	14	51.8 Å²	51.8	7%	0.073	25%	0.251	C	S	.	.	H	α-helix	trans	-63.2	-32.9	174.4	-71.6	174.1	0	0	0	113.3	L97 R98 K103 W104 P105 L107 I157 V163	L97-L101 HydrophobicContact CG-CD1 4.33Å; L97-L101 VanDerWaalsContact O-CG 3.3Å; L97-L101 WeakPolarHBondContact O-CG 3.49Å; L97-L101 PolarHBondContact O-N 3.17Å; R98-L101 PolarHBondContact O-N 3.41Å; L101-K103 PolarHBondContact O-N 3.27Å; L101-W104 CarbonylContact O-C 3.26Å; L101-W104 VanDerWaalsContact O-C 3.29Å; L101-W104 PolarHBondContact O-N 3Å; L101-P105 WeakPolarHBondContact O-CA 3.26Å; L101-P105 WeakPolarHBondContact O-CB 3.34Å; L101-P105 VanDerWaalsContact O-N 3.16Å; L101-L107 HydrophobicContact CD2-CD2 3.81Å; L101-L107 HydrophobicContact CD2-CG 3.93Å; L101-L107 HydrophobicContact CG-CD2 4.41Å; L101-I157 HydrophobicContact CD1-CG1 4.5Å; L101-I157 HydrophobicContact CD1-CG2 3.85Å; L101-V163 HydrophobicContact CD1-CG1 4.42Å; L101-V163 HydrophobicContact CD1-CG2 4.41Å; L101-V163 HydrophobicContact CD2-CG1 3.62Å; L101-V163 HydrophobicContact CD2-CG2 4.3Å
102	G	89.4	Confident	95.4	Very high	73 Å²	73	46.2 Å²	46.2	75%	0.753	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.5	174.2	0	0	0	0	0	114.1	R98 E100	R98-G102 PolarHBondContact O-N 3.22Å; E100-G102 VanDerWaalsContact C-N 3.3Å; E100-G102 PolarHBondContact O-N 3.33Å
103	K	87.1	Confident	95.3	Very high	106 Å²	106	40.7 Å²	40.7	46%	0.461	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-46.3	173.4	-59.4	169	-176.6	167.1	0	111.6	E100 L101	E100-K103 PolarHBondContact O-N 3.02Å; E100-K103 VanDerWaalsContact O-N 3.13Å; E100-K103 IonicContact OE1-NZ 2.78Å; E100-K103 PolarHBondContact OE1-NZ 2.88Å; E100-K103 IonicContact OE2-NZ 2.83Å; L101-K103 PolarHBondContact O-N 3.27Å
104	W	90.2	Very high	95	Very high	39 Å²	39	41.5 Å²	41.5	15%	0.148	22%	0.215	C	C	.	.	S	Bend	trans	-145.6	103.1	-177.9	-74	88.1	0	0	0	108.3	E100 L101 V106 S131 L257 F262 A277 W278 V281	E100-W104 PolarHBondContact O-N 3.17Å; E100-W104 VanDerWaalsContact O-N 3.15Å; L101-W104 CarbonylContact O-C 3.26Å; L101-W104 VanDerWaalsContact O-C 3.29Å; L101-W104 PolarHBondContact O-N 3Å; W104-V106 HydrophobicContact CB-CG1 4.38Å; W104-V106 PolarHBondContact O-N 3.2Å; W104-S131 WeakPolarHBondContact CB-OG 3.22Å; W104-L257 HydrophobicContact CE3-CD2 4.37Å; W104-F262 AromaticContact CH2-CD1 3.45Å; W104-F262 HydrophobicContact CH2-CD1 3.45Å; W104-F262 VanDerWaalsContact CH2-CD1 3.45Å; W104-F262 AromaticContact CH2-CE1 3.93Å; W104-F262 HydrophobicContact CH2-CE1 3.93Å; W104-F262 HydrophobicContact CH2-CG 4.19Å; W104-F262 HydrophobicContact CZ2-CD1 4.44Å; W104-F262 AromaticContact CZ3-CD1 4Å; W104-F262 HydrophobicContact CZ3-CD1 4Å; W104-F262 HydrophobicContact CZ3-CE1 4.42Å; W104-F262 HydrophobicContact CZ3-CG 4.37Å; W104-A277 HydrophobicContact CH2-CB 4.02Å; W104-W278 AromaticContact CE3-CE3 3.58Å; W104-W278 HydrophobicContact CE3-CE3 3.58Å; W104-W278 AromaticContact CE3-CZ3 3.81Å; W104-W278 HydrophobicContact CE3-CZ3 3.81Å; W104-W278 AromaticContact CZ3-CE3 3.81Å; W104-W278 HydrophobicContact CZ3-CE3 3.81Å; W104-W278 HydrophobicContact CZ3-CZ3 4.24Å; W104-V281 HydrophobicContact CZ3-CG2 4.22Å
105	P	95.3	Very high	94.6	Very high	25 Å²	25	43.9 Å²	43.9	16%	0.162	23%	0.234	C	C	.	.			trans	-80.2	71.2	-174.2	31.2	-33.1	0	0	0	110.6	L101 V163 L164 W278	L101-P105 WeakPolarHBondContact O-CA 3.26Å; L101-P105 WeakPolarHBondContact O-CB 3.34Å; L101-P105 VanDerWaalsContact O-N 3.16Å; P105-V163 HydrophobicContact CB-CG2 3.97Å; P105-V163 CarbonylContact O-C 3.6Å; P105-V163 WeakPolarHBondContact O-CA 3.48Å; P105-L164 PolarHBondContact O-N 2.77Å; P105-W278 HydrophobicContact CG-CD2 4.07Å; P105-W278 VanDerWaalsContact CG-CE2 3.47Å; P105-W278 HydrophobicContact CG-CG 4.44Å; P105-W278 HydrophobicContact CG-CH2 4.46Å; P105-W278 HydrophobicContact CG-CZ2 3.71Å; P105-W278 WeakPolarHBondContact O-CH2 3.3Å; P105-W278 VanDerWaalsContact O-CZ2 3.31Å; P105-W278 WeakPolarHBondContact O-CZ2 3.35Å
106	V	97.1	Very high	93.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	138	176.4	63.9	0	0	0	0	111.2	W104 L164 V166 V253 F256 W278	W104-V106 HydrophobicContact CB-CG1 4.38Å; W104-V106 PolarHBondContact O-N 3.2Å; V106-L164 CarbonylContact C-O 3.59Å; V106-L164 WeakPolarHBondContact CA-O 3.33Å; V106-L164 HydrophobicContact CG2-CB 4.35Å; V106-V166 HydrophobicContact CG2-CB 4.5Å; V106-V166 HydrophobicContact CG2-CG1 3.65Å; V106-V166 HydrophobicContact CG2-CG2 3.96Å; V106-V253 HydrophobicContact CG1-CG2 3.96Å; V106-V253 HydrophobicContact CG2-CG2 4.32Å; V106-F256 HydrophobicContact CB-CE1 4.39Å; V106-F256 HydrophobicContact CG2-CD1 3.86Å; V106-F256 HydrophobicContact CG2-CE1 3.87Å; V106-F256 HydrophobicContact CG2-CG 4.45Å; V106-F256 HydrophobicContact CG2-CZ 4.46Å; V106-W278 HydrophobicContact CB-CH2 3.98Å; V106-W278 HydrophobicContact CB-CZ3 4.46Å
107	L	98.5	Very high	93.1	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.1	169.1	-62	175.8	0	0	0	109.4	L97 L101 I109 M128 A129 I157 M158 V163 L164 K165 V166	L97-L107 HydrophobicContact CD1-CD2 3.88Å; L101-L107 HydrophobicContact CD2-CD2 3.81Å; L101-L107 HydrophobicContact CD2-CG 3.93Å; L101-L107 HydrophobicContact CG-CD2 4.41Å; L107-I109 HydrophobicContact CB-CG2 3.99Å; L107-M128 HydrophobicContact CD1-CB 4.46Å; L107-M128 HydrophobicContact CD1-SD 4.17Å; L107-A129 CarbonylContact C-O 3.51Å; L107-A129 VanDerWaalsContact CA-O 3.31Å; L107-A129 WeakPolarHBondContact CA-O 3.43Å; L107-I157 HydrophobicContact CD1-CG2 3.9Å; L107-M158 HydrophobicContact CD1-SD 4.2Å; L107-V163 HydrophobicContact CD1-CG1 4.31Å; L107-V163 HydrophobicContact CG-CG1 4.16Å; L107-L164 PolarHBondContact N-O 3.48Å; L107-K165 CarbonylContact O-C 3.56Å; L107-K165 WeakPolarHBondContact O-CA 3.31Å; L107-V166 PolarHBondContact O-N 2.81Å
108	G	98.4	Very high	92.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	128.7	156.2	0	0	0	0	0	108.6	M128 A129 V166	G108-M128 CarbonylContact O-C 3.54Å; G108-M128 WeakPolarHBondContact O-CA 3.47Å; G108-A129 PolarHBondContact N-O 2.99Å; G108-A129 PolarHBondContact O-N 3.12Å; G108-V166 CarbonylContact C-O 3.5Å; G108-V166 VanDerWaalsContact CA-O 3.3Å; G108-V166 WeakPolarHBondContact CA-O 3.23Å
109	I	98.3	Very high	91.4	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.015	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	148.3	178.8	69.7	161.1	0	0	0	112	L107 Q127 M128 M158 K165 V166 C170 V185	L107-I109 HydrophobicContact CB-CG2 3.99Å; I109-Q127 WeakPolarHBondContact CA-O 3.48Å; I109-M128 HydrophobicContact CG2-CG 4.37Å; I109-M158 HydrophobicContact CG2-CE 4.32Å; I109-K165 HydrophobicContact CD1-CB 3.74Å; I109-K165 HydrophobicContact CD1-CG 4.08Å; I109-K165 HydrophobicContact CG1-CB 4.02Å; I109-K165 HydrophobicContact CG2-CB 4.22Å; I109-K165 HydrophobicContact CG2-CG 3.95Å; I109-V166 PolarHBondContact N-O 3.41Å; I109-C170 HydrophobicContact CD1-CB 4Å; I109-C170 HydrophobicContact CG1-CB 3.8Å; I109-V185 HydrophobicContact CD1-CG1 4.37Å
110	D	97.9	Very high	90.9	Very high	24 Å²	24	48 Å²	48	13%	0.128	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	175.5	170.2	-153.8	-14.2	0	0	0	108.6	Q127 D248	D110-Q127 HydrophobicContact CB-CB 4.3Å; D110-Q127 PolarHBondContact N-O 3.48Å; D110-Q127 PolarHBondContact O-N 3.28Å; D110-Q127 PolarHBondContact O-OE1 3.07Å; D110-D248 VanDerWaalsContact OD2-CB 3.3Å; D110-D248 WeakPolarHBondContact OD2-CB 3.21Å
111	C	97.3	Very high	90.8	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.02	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	140.9	172.6	-80.5	0	0	0	0	111.4	W113 V123 L125 D173	C111-W113 HydrophobicContact CB-CE3 4.22Å; C111-W113 HydrophobicContact CB-CZ3 4Å; C111-W113 WeakPolarHBondContact O-CZ3 3.4Å; C111-V123 HydrophobicContact CB-CG1 3.88Å; C111-L125 WeakPolarHBondContact CA-O 3.48Å; C111-D173 HydrophobicContact CB-CB 4Å
112	E	96.6	Very high	90.8	Very high	20 Å²	20	51 Å²	51	9%	0.093	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	147	172.5	-76.2	-72.1	178.3	0	0	111.7	S124 L125 W232 Y244	E112-S124 PolarHBondContact O-N 3.16Å; E112-L125 HydrophobicContact CB-CB 4.29Å; E112-L125 PolarHBondContact N-O 3.36Å; E112-L125 PolarHBondContact O-N 2.99Å; E112-W232 HydrophobicContact CB-CD2 3.73Å; E112-W232 HydrophobicContact CB-CE3 4.25Å; E112-W232 HydrophobicContact CB-CG 3.9Å; E112-W232 HydrophobicContact CB-CZ2 4.2Å; E112-W232 HydrophobicContact CG-CD2 4.19Å; E112-W232 HydrophobicContact CG-CH2 4.21Å; E112-W232 HydrophobicContact CG-CZ2 3.69Å; E112-W232 PolarHBondContact OE2-NE1 3.14Å; E112-Y244 VanDerWaalsContact OE1-CE1 3.3Å; E112-Y244 WeakPolarHBondContact OE1-CE1 3.34Å
113	W	94.9	Very high	91.1	Very high	74 Å²	74	47.6 Å²	47.6	28%	0.28	26%	0.264	S	S	.	.			trans	-153.8	152.1	-177.5	60.6	84.3	0	0	0	113.8	C111 S124 K176	C111-W113 HydrophobicContact CB-CE3 4.22Å; C111-W113 HydrophobicContact CB-CZ3 4Å; C111-W113 WeakPolarHBondContact O-CZ3 3.4Å; W113-S124 WeakPolarHBondContact CA-OG 3.49Å; W113-K176 HydrophobicContact CD2-CD 3.95Å; W113-K176 HydrophobicContact CE3-CD 3.75Å; W113-K176 VanDerWaalsContact CE3-CE 3.46Å; W113-K176 HydrophobicContact CH2-CD 4.24Å; W113-K176 HydrophobicContact CZ2-CD 4.42Å; W113-K176 HydrophobicContact CZ3-CD 3.9Å
114	V	92.9	Very high	91.5	Very high	22 Å²	22	42.6 Å²	42.6	13%	0.133	24%	0.242	C	C	.	.			trans	-76.6	147.4	172.3	-179.8	0	0	0	0	110.7	V116 N121 S124 W232 E233	V114-V116 HydrophobicContact CG1-CG2 3.98Å; V114-N121 HydrophobicContact CB-CB 4.46Å; V114-N121 WeakPolarHBondContact O-CB 3.47Å; V114-N121 PolarHBondContact O-N 2.99Å; V114-S124 PolarHBondContact N-OG 2.88Å; V114-W232 HydrophobicContact CG2-CB 4.23Å; V114-E233 HydrophobicContact CB-CG 4.39Å; V114-E233 HydrophobicContact CG2-CB 3.99Å; V114-E233 HydrophobicContact CG2-CG 3.69Å
115	S	86.8	Confident	91.9	Very high	74 Å²	74	40.7 Å²	40.7	52%	0.517	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	116.4	173.2	-63.1	0	0	0	0	111.2	K119	S115-K119 CarbonylContact C-O 3.53Å; S115-K119 WeakPolarHBondContact CA-O 3.49Å
116	V	83.1	Confident	92	Very high	79 Å²	79	39.5 Å²	39.5	48%	0.479	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.5	-178.1	-174.6	0	0	0	0	108.9	V114 G118 K119	V114-V116 HydrophobicContact CG1-CG2 3.98Å; V116-G118 PolarHBondContact O-N 3.35Å; V116-K119 PolarHBondContact N-O 3.38Å; V116-K119 WeakPolarHBondContact O-CB 3.26Å; V116-K119 PolarHBondContact O-N 2.86Å
117	E	80.3	Confident	92.1	Very high	177 Å²	177	39.5 Å²	39.5	83%	0.827	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	30.7	-178.9	-61.2	-178.1	164.9	0	0	114.8	K119	E117-K119 PolarHBondContact O-N 2.86Å
118	G	75.9	Confident	92.1	Very high	74 Å²	74	39.5 Å²	39.5	76%	0.763	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.4	3.4	-176.8	0	0	0	0	0	115.2	V116	V116-G118 PolarHBondContact O-N 3.35Å
119	K	78.4	Confident	92.1	Very high	143 Å²	143	39.5 Å²	39.5	62%	0.622	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	138.5	165.4	-62.1	170.5	-172.2	157.9	0	108.6	S115 V116 E117	S115-K119 CarbonylContact C-O 3.53Å; S115-K119 WeakPolarHBondContact CA-O 3.49Å; V116-K119 PolarHBondContact N-O 3.38Å; V116-K119 WeakPolarHBondContact O-CB 3.26Å; V116-K119 PolarHBondContact O-N 2.86Å; E117-K119 PolarHBondContact O-N 2.86Å
120	A	84.6	Confident	92.1	Very high	31 Å²	31	39.4 Å²	39.4	26%	0.256	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	128.9	172.8	0	0	0	0	0	109
121	N	90	Very high	91.9	Very high	42 Å²	42	38.6 Å²	38.6	23%	0.225	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-65.5	169.6	168.3	-74.6	8.9	0	0	0	110.2	V114 K176 E233	V114-N121 HydrophobicContact CB-CB 4.46Å; V114-N121 WeakPolarHBondContact O-CB 3.47Å; V114-N121 PolarHBondContact O-N 2.99Å; N121-K176 PolarHBondContact O-NZ 2.76Å; N121-E233 WeakPolarHBondContact CB-OE1 3.38Å; N121-E233 PolarHBondContact ND2-OE1 3.32Å; N121-E233 PolarHBondContact ND2-OE2 3.04Å
122	P	92.9	Very high	91.7	Very high	63 Å²	63	40.1 Å²	40.1	41%	0.409	23%	0.234	S	C	.	.	S	Bend	trans	-48.5	156.5	164.9	-29.7	38.3	0	0	0	113.2	S124 D180 Y181	P122-S124 PolarHBondContact O-N 3.28Å; P122-S124 VanDerWaalsContact O-N 3.09Å; P122-D180 VanDerWaalsContact CA-OD2 3.29Å; P122-D180 WeakPolarHBondContact CA-OD2 3.38Å; P122-D180 HydrophobicContact CB-CB 4.18Å; P122-Y181 HydrophobicContact CB-CE2 3.98Å
123	V	95.6	Very high	91.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-54.4	116.5	174	-177	0	0	0	0	110.8	C111 L125 L140 K176 L177 D180 Y181	C111-V123 HydrophobicContact CB-CG1 3.88Å; V123-L125 WeakPolarHBondContact CG1-O 3.4Å; V123-L140 HydrophobicContact CB-CD1 3.93Å; V123-L140 HydrophobicContact CG1-CD1 3.82Å; V123-K176 HydrophobicContact CG2-CB 4.36Å; V123-K176 HydrophobicContact CG2-CD 3.89Å; V123-K176 HydrophobicContact CG2-CG 3.69Å; V123-L177 HydrophobicContact CB-CD2 4.22Å; V123-L177 HydrophobicContact CG1-CD2 4.15Å; V123-L177 HydrophobicContact CG2-CD2 3.99Å; V123-L177 HydrophobicContact CG2-CG 4.31Å; V123-D180 PolarHBondContact N-OD2 3.13Å; V123-Y181 HydrophobicContact CB-CD2 4.43Å; V123-Y181 HydrophobicContact CB-CE2 3.97Å; V123-Y181 VanDerWaalsContact O-CE2 3.29Å; V123-Y181 WeakPolarHBondContact O-CE2 3.45Å; V123-Y181 PolarHBondContact O-OH 2.88Å; V123-Y181 VanDerWaalsContact O-OH 3.11Å
124	S	96.9	Very high	91.7	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.007	22%	0.222	C	C	.	.			trans	-83.3	-32.2	-178.1	-42.9	0	0	0	0	111.8	E112 W113 V114 P122 P141 E233	E112-S124 PolarHBondContact O-N 3.16Å; W113-S124 WeakPolarHBondContact CA-OG 3.49Å; V114-S124 PolarHBondContact N-OG 2.88Å; P122-S124 PolarHBondContact O-N 3.28Å; P122-S124 VanDerWaalsContact O-N 3.09Å; S124-P141 WeakPolarHBondContact O-CD 3.45Å; S124-E233 VanDerWaalsContact OG-CG 3.29Å; S124-E233 WeakPolarHBondContact OG-CG 3.42Å; S124-E233 PolarHBondContact OG-OE1 3.26Å; S124-E233 VanDerWaalsContact OG-OE1 3.09Å
125	L	98.2	Very high	92	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	132.8	179.3	-165.7	71.9	0	0	0	111.1	C111 E112 V123 Q127 L137 I138 R139 W232 L237 A245	C111-L125 WeakPolarHBondContact CA-O 3.48Å; E112-L125 HydrophobicContact CB-CB 4.29Å; E112-L125 PolarHBondContact N-O 3.36Å; E112-L125 PolarHBondContact O-N 2.99Å; V123-L125 WeakPolarHBondContact CG1-O 3.4Å; L125-Q127 HydrophobicContact CD2-CG 4.27Å; L125-Q127 HydrophobicContact CG-CG 4.5Å; L125-Q127 PolarHBondContact O-OE1 2.97Å; L125-L137 HydrophobicContact CD1-CB 4.18Å; L125-I138 WeakPolarHBondContact CA-O 3.42Å; L125-R139 HydrophobicContact CD1-CG 3.85Å; L125-W232 HydrophobicContact CD2-CE3 4.24Å; L125-W232 HydrophobicContact CD2-CZ3 4.14Å; L125-L237 HydrophobicContact CD1-CD1 4.09Å; L125-L237 HydrophobicContact CD2-CD1 4.31Å; L125-A245 HydrophobicContact CD2-CB 3.73Å
126	L	98.3	Very high	92.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.9	168.8	162.1	64.3	0	0	0	109.2	M128 I138 L140 M158 L177 F183	L126-M128 HydrophobicContact CD1-CG 4.22Å; L126-M128 HydrophobicContact CD2-SD 4.33Å; L126-M128 HydrophobicContact CG-CG 4.19Å; L126-I138 HydrophobicContact CB-CB 4.36Å; L126-I138 PolarHBondContact N-O 2.94Å; L126-I138 PolarHBondContact O-N 3.36Å; L126-L140 HydrophobicContact CB-CD1 3.9Å; L126-L140 HydrophobicContact CB-CG 4.16Å; L126-M158 HydrophobicContact CD1-CE 4.18Å; L126-M158 HydrophobicContact CD2-CE 4.39Å; L126-L177 HydrophobicContact CB-CD2 4.5Å; L126-L177 HydrophobicContact CD1-CD1 4.05Å; L126-F183 HydrophobicContact CD2-CE1 4.02Å; L126-F183 HydrophobicContact CD2-CE2 4.17Å; L126-F183 HydrophobicContact CD2-CZ 3.49Å; L126-F183 VanDerWaalsContact CD2-CZ 3.49Å
127	Q	98.4	Very high	93.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	135.4	179.7	-58	91.6	-38.9	0	0	110.5	I109 D110 L125 L137 A245 A249	I109-Q127 WeakPolarHBondContact CA-O 3.48Å; D110-Q127 HydrophobicContact CB-CB 4.3Å; D110-Q127 PolarHBondContact N-O 3.48Å; D110-Q127 PolarHBondContact O-N 3.28Å; D110-Q127 PolarHBondContact O-OE1 3.07Å; L125-Q127 HydrophobicContact CD2-CG 4.27Å; L125-Q127 HydrophobicContact CG-CG 4.5Å; L125-Q127 PolarHBondContact O-OE1 2.97Å; Q127-L137 HydrophobicContact CB-CD2 4.01Å; Q127-L137 HydrophobicContact CG-CD2 3.5Å; Q127-A245 HydrophobicContact CG-CB 3.96Å; Q127-A249 HydrophobicContact CB-CB 3.83Å
128	M	98.4	Very high	94.1	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	108.3	177.4	-61	-175.1	-54.5	0	0	111.1	W90 L97 L107 G108 I109 L126 C135 V136 I138 L154 M158	W90-M128 HydrophobicContact CH2-CE 4.18Å; W90-M128 HydrophobicContact CZ3-CE 3.9Å; L97-M128 HydrophobicContact CD2-CE 3.97Å; L107-M128 HydrophobicContact CD1-CB 4.46Å; L107-M128 HydrophobicContact CD1-SD 4.17Å; G108-M128 CarbonylContact O-C 3.54Å; G108-M128 WeakPolarHBondContact O-CA 3.47Å; I109-M128 HydrophobicContact CG2-CG 4.37Å; L126-M128 HydrophobicContact CD1-CG 4.22Å; L126-M128 HydrophobicContact CD2-SD 4.33Å; L126-M128 HydrophobicContact CG-CG 4.19Å; M128-C135 WeakPolarHBondContact O-CA 3.43Å; M128-V136 HydrophobicContact CE-CB 4.27Å; M128-V136 HydrophobicContact CE-CG1 4.48Å; M128-V136 PolarHBondContact N-O 3.26Å; M128-V136 PolarHBondContact O-N 3.32Å; M128-I138 HydrophobicContact CE-CD1 3.46Å; M128-I138 VanDerWaalsContact CE-CD1 3.46Å; M128-I138 HydrophobicContact CE-CG1 4.21Å; M128-L154 HydrophobicContact CE-CD1 3.7Å; M128-L154 HydrophobicContact SD-CD1 3.9Å; M128-M158 HydrophobicContact SD-CE 4.3Å; M128-M158 HydrophobicContact SD-CG 4.28Å; M128-M158 HydrophobicContact SD-SD 3.69Å; M128-M158 VanDerWaalsContact SD-SD 3.69Å
129	A	98.6	Very high	95.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.4	177.5	0	0	0	0	0	111.8	L107 G108 L134 C135 A249 Q250 V253	L107-A129 CarbonylContact C-O 3.51Å; L107-A129 VanDerWaalsContact CA-O 3.31Å; L107-A129 WeakPolarHBondContact CA-O 3.43Å; G108-A129 PolarHBondContact N-O 2.99Å; G108-A129 PolarHBondContact O-N 3.12Å; A129-L134 WeakPolarHBondContact CA-O 3.38Å; A129-C135 HydrophobicContact CB-CB 4.24Å; A129-A249 VanDerWaalsContact CB-C 3.45Å; A129-A249 HydrophobicContact CB-CB 3.74Å; A129-Q250 HydrophobicContact CB-CB 4.42Å; A129-Q250 HydrophobicContact CB-CG 3.92Å; A129-V253 HydrophobicContact CB-CG1 4.12Å
130	S	97.4	Very high	96	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.007	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	170.2	176.5	71.4	0	0	0	0	112.8	S132 G133 L134	S130-S132 PolarHBondContact O-N 3.29Å; S130-S132 VanDerWaalsContact O-N 3.08Å; S130-S132 PolarHBondContact OG-OG 3.16Å; S130-G133 PolarHBondContact O-N 3.11Å; S130-L134 PolarHBondContact N-O 2.71Å; S130-L134 PolarHBondContact OG-O 3.14Å
131	S	93.8	Very high	96.4	Very high	6 Å²	6	11 Å²	11	4%	0.042	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-19.6	-178.1	74.8	0	0	0	0	116.4	W104	W104-S131 WeakPolarHBondContact CB-OG 3.22Å
132	S	93.1	Very high	96.6	Very high	36 Å²	36	14.1 Å²	14.1	25%	0.252	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-17	173.8	48.7	0	0	0	0	113.5	E100 S130	E100-S132 WeakPolarHBondContact OE2-CB 3.44Å; E100-S132 PolarHBondContact OE2-OG 3.47Å; S130-S132 PolarHBondContact O-N 3.29Å; S130-S132 VanDerWaalsContact O-N 3.08Å; S130-S132 PolarHBondContact OG-OG 3.16Å
133	G	94.6	Very high	96.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.056	C	C	.	.			trans	106.8	-11.9	-177	0	0	0	0	0	115	I76 S130 C135 Q250	I76-G133 WeakPolarHBondContact O-CA 3.33Å; S130-G133 PolarHBondContact O-N 3.11Å; G133-C135 PolarHBondContact O-N 3.14Å; G133-Q250 WeakPolarHBondContact O-CG 3.2Å; G133-Q250 PolarHBondContact O-NE2 3.3Å
134	L	97.4	Very high	96.3	Very high	23 Å²	23	12.5 Å²	12.5	12%	0.12	7%	0.065	C	C	.	.			trans	-52.3	117.8	173.3	166.5	66.6	0	0	0	109	D80 V82 L96 A129 S130	D80-L134 HydrophobicContact CB-CD1 4.1Å; D80-L134 WeakPolarHBondContact O-CA 3.18Å; V82-L134 HydrophobicContact CG2-CD1 3.99Å; L96-L134 HydrophobicContact CB-CD2 4.42Å; A129-L134 WeakPolarHBondContact CA-O 3.38Å; S130-L134 PolarHBondContact N-O 2.71Å; S130-L134 PolarHBondContact OG-O 3.14Å
135	C	98.6	Very high	95.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.2	-174.2	-170.7	0	0	0	0	111.3	D80 I81 V82 M128 A129 G133 A246 Q250	D80-C135 PolarHBondContact O-N 2.82Å; I81-C135 CarbonylContact C-O 3.51Å; I81-C135 WeakPolarHBondContact CA-O 3.31Å; I81-C135 HydrophobicContact CG1-CB 4.5Å; V82-C135 PolarHBondContact N-O 3.03Å; M128-C135 WeakPolarHBondContact O-CA 3.43Å; A129-C135 HydrophobicContact CB-CB 4.24Å; G133-C135 PolarHBondContact O-N 3.14Å; C135-A246 HydrophobicContact CB-CB 4.14Å; C135-Q250 HydrophobicContact CB-CG 4.07Å
136	V	98.6	Very high	95.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	123.6	176.4	-169.5	0	0	0	0	109	V82 V84 W90 V93 L97 M128 I138	V82-V136 CarbonylContact O-C 3.58Å; V82-V136 WeakPolarHBondContact O-CA 3.45Å; V84-V136 HydrophobicContact CB-CG1 4.49Å; V84-V136 HydrophobicContact CG2-CG1 3.68Å; W90-V136 HydrophobicContact CZ3-CG1 4.49Å; V93-V136 HydrophobicContact CG1-CG1 4.1Å; V93-V136 HydrophobicContact CG2-CG2 3.79Å; L97-V136 HydrophobicContact CD1-CG2 4.48Å; L97-V136 HydrophobicContact CD2-CG2 4.45Å; M128-V136 HydrophobicContact CE-CB 4.27Å; M128-V136 HydrophobicContact CE-CG1 4.48Å; M128-V136 PolarHBondContact N-O 3.26Å; M128-V136 PolarHBondContact O-N 3.32Å; V136-I138 HydrophobicContact CG1-CD1 4.29Å; V136-I138 HydrophobicContact CG1-CG1 3.83Å
137	L	98.6	Very high	94.1	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	99.1	179.8	-57.6	-176.4	0	0	0	109.1	I81 V82 I83 V84 L125 Q127 V242 A245 A246	I81-L137 HydrophobicContact CG2-CD1 3.52Å; I81-L137 HydrophobicContact CG2-CG 3.86Å; V82-L137 PolarHBondContact O-N 3.31Å; I83-L137 WeakPolarHBondContact CA-O 3.45Å; I83-L137 HydrophobicContact CG1-CB 4.46Å; I83-L137 HydrophobicContact CG1-CD1 4.39Å; V84-L137 PolarHBondContact N-O 3.46Å; L125-L137 HydrophobicContact CD1-CB 4.18Å; Q127-L137 HydrophobicContact CB-CD2 4.01Å; Q127-L137 HydrophobicContact CG-CD2 3.5Å; L137-V242 HydrophobicContact CD1-CB 4.39Å; L137-V242 HydrophobicContact CD1-CG1 3.88Å; L137-A245 HydrophobicContact CD2-CB 4.17Å; L137-A246 HydrophobicContact CD2-CB 4.33Å
138	I	98.1	Very high	93.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	115.2	-173.6	-54.7	-168.7	0	0	0	110.7	V84 W90 L125 L126 M128 V136 L140 L143 L154	V84-I138 HydrophobicContact CB-CG1 4.23Å; V84-I138 WeakPolarHBondContact O-CA 3.5Å; W90-I138 HydrophobicContact CE3-CD1 3.83Å; W90-I138 HydrophobicContact CZ3-CD1 3.75Å; L125-I138 WeakPolarHBondContact CA-O 3.42Å; L126-I138 HydrophobicContact CB-CB 4.36Å; L126-I138 PolarHBondContact N-O 2.94Å; L126-I138 PolarHBondContact O-N 3.36Å; M128-I138 HydrophobicContact CE-CD1 3.46Å; M128-I138 VanDerWaalsContact CE-CD1 3.46Å; M128-I138 HydrophobicContact CE-CG1 4.21Å; V136-I138 HydrophobicContact CG1-CD1 4.29Å; V136-I138 HydrophobicContact CG1-CG1 3.83Å; I138-L140 VanDerWaalsContact C-N 3.35Å; I138-L140 HydrophobicContact CG2-CD2 3.91Å; I138-L140 HydrophobicContact CG2-CG 4.42Å; I138-L140 PolarHBondContact O-N 3.07Å; I138-L143 HydrophobicContact CG2-CD2 3.63Å; I138-L154 HydrophobicContact CD1-CD1 3.74Å; I138-L154 HydrophobicContact CD1-CD2 3.55Å; I138-L154 HydrophobicContact CD1-CG 4.31Å; I138-L154 HydrophobicContact CG2-CD2 4.44Å
139	R	97.5	Very high	92.9	Very high	13 Å²	13	30.4 Å²	30.4	5%	0.049	18%	0.176	C	C	.	.			trans	-82.1	77.3	178.4	-51.9	-156.6	66.3	-158.2	-6.6	110.2	I83 V84 S85 L125 P141 R142 L143 W232 A234 E235	I83-R139 HydrophobicContact CG2-CG 3.95Å; V84-R139 PolarHBondContact O-N 2.82Å; S85-R139 WeakPolarHBondContact OG-CD 3.41Å; L125-R139 HydrophobicContact CD1-CG 3.85Å; R139-P141 VanDerWaalsContact C-CD 3.47Å; R139-R142 HydrophobicContact CB-CB 4.25Å; R139-R142 HydrophobicContact CB-CG 4.41Å; R139-R142 PolarHBondContact O-N 3.44Å; R139-L143 PolarHBondContact O-N 3.37Å; R139-W232 PolarHBondContact NH2-O 3.1Å; R139-A234 PolarHBondContact NH1-O 3.37Å; R139-A234 PolarHBondContact NH2-O 3.24Å; R139-E235 PolarHBondContact NH1-O 3.23Å
140	L	95.4	Very high	92.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-49.8	-43.2	-171	-66.4	171.8	0	0	0	114.6	V123 L126 I138 R142 L143 V144 I150 L177 Y181 F183	V123-L140 HydrophobicContact CB-CD1 3.93Å; V123-L140 HydrophobicContact CG1-CD1 3.82Å; L126-L140 HydrophobicContact CB-CD1 3.9Å; L126-L140 HydrophobicContact CB-CG 4.16Å; I138-L140 VanDerWaalsContact C-N 3.35Å; I138-L140 HydrophobicContact CG2-CD2 3.91Å; I138-L140 HydrophobicContact CG2-CG 4.42Å; I138-L140 PolarHBondContact O-N 3.07Å; L140-R142 VanDerWaalsContact C-N 3.32Å; L140-R142 PolarHBondContact O-N 2.96Å; L140-L143 PolarHBondContact O-N 2.78Å; L140-V144 WeakPolarHBondContact O-CG2 3.3Å; L140-V144 PolarHBondContact O-N 2.89Å; L140-I150 HydrophobicContact CD2-CD1 3.73Å; L140-L177 HydrophobicContact CD1-CD2 3.63Å; L140-Y181 HydrophobicContact CB-CD1 4.48Å; L140-Y181 HydrophobicContact CB-CD2 4.45Å; L140-Y181 HydrophobicContact CB-CE1 3.97Å; L140-Y181 HydrophobicContact CB-CE2 3.94Å; L140-Y181 HydrophobicContact CD1-CD2 3.83Å; L140-Y181 HydrophobicContact CD1-CE2 3.86Å; L140-Y181 HydrophobicContact CD1-CG 4.43Å; L140-F183 HydrophobicContact CD2-CE2 4.37Å
141	P	93.9	Very high	92.2	Very high	47 Å²	47	31 Å²	31	31%	0.305	18%	0.18	S	C	.	.	H	α-helix	trans	-62.6	-34.1	176.8	-22.1	33.1	0	0	0	114	S124 R139 A145	S124-P141 WeakPolarHBondContact O-CD 3.45Å; R139-P141 VanDerWaalsContact C-CD 3.47Å; P141-A145 PolarHBondContact O-N 2.76Å
142	R	94.3	Very high	91.9	Very high	107 Å²	107	35.3 Å²	35.3	40%	0.404	20%	0.198	S	C	.	.	H	α-helix	trans	-74.5	-38.7	176	-65	-162	66.1	159.2	-2.7	111.2	S85 R139 L140 V144 A145 E235	S85-R142 CarbonylContact O-C 3.48Å; S85-R142 VanDerWaalsContact O-C 3.26Å; S85-R142 WeakPolarHBondContact O-CB 3.46Å; R139-R142 HydrophobicContact CB-CB 4.25Å; R139-R142 HydrophobicContact CB-CG 4.41Å; R139-R142 PolarHBondContact O-N 3.44Å; L140-R142 VanDerWaalsContact C-N 3.32Å; L140-R142 PolarHBondContact O-N 2.96Å; R142-V144 VanDerWaalsContact C-N 3.27Å; R142-V144 PolarHBondContact O-N 3.39Å; R142-A145 VanDerWaalsContact O-CB 3.24Å; R142-A145 WeakPolarHBondContact O-CB 3.49Å; R142-A145 PolarHBondContact O-N 3.06Å; R142-A145 VanDerWaalsContact O-N 3.15Å; R142-E235 PolarHBondContact NH1-O 3.44Å; R142-E235 VanDerWaalsContact NH1-O 3.16Å
143	L	92.4	Very high	92	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-67.5	-24.6	-178.9	-169.5	64	0	0	0	113.7	S85 E86 Q87 I138 R139 L140 I150 P151 L154	S85-L143 WeakPolarHBondContact O-CA 3.25Å; S85-L143 PolarHBondContact O-N 3.41Å; E86-L143 VanDerWaalsContact C-CD1 3.44Å; Q87-L143 HydrophobicContact CG-CD1 4.03Å; I138-L143 HydrophobicContact CG2-CD2 3.63Å; R139-L143 PolarHBondContact O-N 3.37Å; L140-L143 PolarHBondContact O-N 2.78Å; L143-I150 HydrophobicContact CD2-CD1 4.29Å; L143-P151 HydrophobicContact CD1-CG 4.4Å; L143-P151 HydrophobicContact CD2-CG 4.32Å; L143-L154 HydrophobicContact CD2-CD2 4.36Å
144	V	90.3	Very high	92.1	Very high	28 Å²	28	36.1 Å²	36.1	17%	0.17	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	7.8	174.2	-52.8	0	0	0	0	113.7	L140 R142 Q148 I150 Y181	L140-V144 WeakPolarHBondContact O-CG2 3.3Å; L140-V144 PolarHBondContact O-N 2.89Å; R142-V144 VanDerWaalsContact C-N 3.27Å; R142-V144 PolarHBondContact O-N 3.39Å; V144-Q148 WeakPolarHBondContact CA-O 3.37Å; V144-Q148 WeakPolarHBondContact CB-O 3.39Å; V144-I150 HydrophobicContact CG1-CD1 3.34Å; V144-I150 HydrophobicContact CG1-CG1 3.81Å; V144-Y181 HydrophobicContact CG1-CD1 4.28Å; V144-Y181 HydrophobicContact CG1-CE1 4.36Å; V144-Y181 HydrophobicContact CG2-CE1 3.93Å
145	A	87.6	Confident	91.8	Very high	39 Å²	39	35.6 Å²	35.6	32%	0.322	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-59.6	155.8	177.6	0	0	0	0	0	111	P141 R142 G147 Q148	P141-A145 PolarHBondContact O-N 2.76Å; R142-A145 VanDerWaalsContact O-CB 3.24Å; R142-A145 WeakPolarHBondContact O-CB 3.49Å; R142-A145 PolarHBondContact O-N 3.06Å; R142-A145 VanDerWaalsContact O-N 3.15Å; A145-G147 PolarHBondContact O-N 3.09Å; A145-Q148 WeakPolarHBondContact O-CB 3.47Å; A145-Q148 WeakPolarHBondContact O-CG 3.28Å; A145-Q148 PolarHBondContact O-N 3.33Å
146	N	83	Confident	91.3	Very high	161 Å²	161	40.3 Å²	40.3	86%	0.861	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	56.2	36	178	-49.8	-31.7	0	0	0	113.6	Q148	N146-Q148 VanDerWaalsContact C-N 3.26Å; N146-Q148 PolarHBondContact O-N 2.93Å
147	G	76	Confident	91.2	Very high	44 Å²	44	40.5 Å²	40.5	45%	0.454	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	73.1	11.3	177.6	0	0	0	0	0	115	A145	A145-G147 PolarHBondContact O-N 3.09Å
148	Q	85	Confident	91	Very high	78 Å²	78	40.5 Å²	40.5	36%	0.364	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-67.9	148.4	175.9	-68.1	-170.5	9.8	0	0	111.6	V144 A145 N146	V144-Q148 WeakPolarHBondContact CA-O 3.37Å; V144-Q148 WeakPolarHBondContact CB-O 3.39Å; A145-Q148 WeakPolarHBondContact O-CB 3.47Å; A145-Q148 WeakPolarHBondContact O-CG 3.28Å; A145-Q148 PolarHBondContact O-N 3.33Å; N146-Q148 VanDerWaalsContact C-N 3.26Å; N146-Q148 PolarHBondContact O-N 2.93Å
149	T	86.2	Confident	90.6	Very high	56 Å²	56	41.5 Å²	41.5	34%	0.344	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-100.7	152.4	174.4	52.1	0	0	0	0	110.8	Y469	T149-Y469 HydrophobicContact CG2-CD1 4.24Å; T149-Y469 HydrophobicContact CG2-CE1 4.23Å
150	I	90.1	Very high	90.3	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-54.8	131.5	174.3	-60.4	-67.8	0	0	0	110.2	L140 L143 V144 K152 L154 L155 Y181 F183	L140-I150 HydrophobicContact CD2-CD1 3.73Å; L143-I150 HydrophobicContact CD2-CD1 4.29Å; V144-I150 HydrophobicContact CG1-CD1 3.34Å; V144-I150 HydrophobicContact CG1-CG1 3.81Å; I150-K152 PolarHBondContact O-N 3.23Å; I150-L154 HydrophobicContact CG2-CB 4.42Å; I150-L154 HydrophobicContact CG2-CD2 3.91Å; I150-L154 HydrophobicContact CG2-CG 4.34Å; I150-L155 HydrophobicContact CB-CD1 4.19Å; I150-L155 HydrophobicContact CB-CD2 4.35Å; I150-L155 HydrophobicContact CB-CG 4.27Å; I150-L155 HydrophobicContact CG2-CD1 4.15Å; I150-L155 HydrophobicContact CG2-CD2 3.86Å; I150-L155 HydrophobicContact CG2-CG 3.71Å; I150-Y181 HydrophobicContact CD1-CD1 4.32Å; I150-F183 HydrophobicContact CG1-CD2 4.43Å; I150-F183 HydrophobicContact CG2-CD2 4.02Å; I150-F183 HydrophobicContact CG2-CE2 3.79Å
151	P	92.4	Very high	90	Very high	13 Å²	13	47.2 Å²	47.2	8%	0.084	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-52.8	128	178.7	-30	36.4	0	0	0	113.5	Q87 W90 L143 T153 L154 L155	Q87-P151 HydrophobicContact CG-CG 4.19Å; W90-P151 HydrophobicContact CB-CG 4.49Å; W90-P151 HydrophobicContact CG-CB 4.28Å; W90-P151 HydrophobicContact CG-CG 4.12Å; L143-P151 HydrophobicContact CD1-CG 4.4Å; L143-P151 HydrophobicContact CD2-CG 4.32Å; P151-T153 PolarHBondContact O-N 3.06Å; P151-T153 VanDerWaalsContact O-N 3.09Å; P151-L154 HydrophobicContact CB-CB 4.43Å; P151-L154 WeakPolarHBondContact O-CB 3.12Å; P151-L154 PolarHBondContact O-N 2.94Å; P151-L155 PolarHBondContact O-N 3.47Å
152	K	87.4	Confident	89.9	Confident	96 Å²	96	49.1 Å²	49.1	42%	0.417	28%	0.281	S	S	.	.	H	α-helix	trans	-53.8	-34.2	-179.8	-70.2	-173.5	171.6	-174.5	0	113	I150 L155 N156 D588	I150-K152 PolarHBondContact O-N 3.23Å; K152-L155 PolarHBondContact O-N 2.74Å; K152-N156 WeakPolarHBondContact O-CB 3.48Å; K152-N156 PolarHBondContact O-N 2.92Å; K152-N156 PolarHBondContact O-ND2 2.9Å; K152-N156 PolarHBondContact O-OD1 3.47Å; K152-D588 PolarHBondContact NZ-O 2.97Å
153	T	94.8	Very high	90	Very high	52 Å²	52	44.5 Å²	44.5	32%	0.319	26%	0.264	S	S	.	.	H	α-helix	trans	-67.8	-34.3	178.3	43.6	0	0	0	0	114	W90 E94 R98 P151 I157	W90-T153 PolarHBondContact NE1-OG1 3.49Å; E94-T153 WeakPolarHBondContact OE1-CB 3.41Å; E94-T153 WeakPolarHBondContact OE1-CG2 3.46Å; R98-T153 PolarHBondContact NH2-O 3.28Å; P151-T153 PolarHBondContact O-N 3.06Å; P151-T153 VanDerWaalsContact O-N 3.09Å; T153-I157 WeakPolarHBondContact O-CG1 3.4Å; T153-I157 PolarHBondContact O-N 2.98Å; T153-I157 VanDerWaalsContact O-N 3.15Å
154	L	95.6	Very high	90.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.4	-48.6	173	175.3	56.7	0	0	0	110.7	W90 M128 I138 L143 I150 P151 N156 I157 M158 F183	W90-L154 HydrophobicContact CD2-CB 4.4Å; W90-L154 HydrophobicContact CH2-CB 4.1Å; W90-L154 HydrophobicContact CH2-CD1 3.65Å; W90-L154 HydrophobicContact CH2-CG 4.41Å; W90-L154 VanDerWaalsContact CZ2-CA 3.46Å; W90-L154 HydrophobicContact CZ2-CB 3.53Å; W90-L154 HydrophobicContact CZ2-CD1 4Å; W90-L154 HydrophobicContact CZ2-CG 4.32Å; W90-L154 HydrophobicContact CZ3-CD1 4.04Å; M128-L154 HydrophobicContact CE-CD1 3.7Å; M128-L154 HydrophobicContact SD-CD1 3.9Å; I138-L154 HydrophobicContact CD1-CD1 3.74Å; I138-L154 HydrophobicContact CD1-CD2 3.55Å; I138-L154 HydrophobicContact CD1-CG 4.31Å; I138-L154 HydrophobicContact CG2-CD2 4.44Å; L143-L154 HydrophobicContact CD2-CD2 4.36Å; I150-L154 HydrophobicContact CG2-CB 4.42Å; I150-L154 HydrophobicContact CG2-CD2 3.91Å; I150-L154 HydrophobicContact CG2-CG 4.34Å; P151-L154 HydrophobicContact CB-CB 4.43Å; P151-L154 WeakPolarHBondContact O-CB 3.12Å; P151-L154 PolarHBondContact O-N 2.94Å; L154-N156 VanDerWaalsContact C-N 3.27Å; L154-N156 PolarHBondContact O-N 2.67Å; L154-I157 PolarHBondContact O-N 3.16Å; L154-M158 HydrophobicContact CD1-CG 4.16Å; L154-M158 WeakPolarHBondContact O-CG 3.34Å; L154-M158 PolarHBondContact O-N 2.87Å; L154-F183 HydrophobicContact CD1-CZ 4.03Å; L154-F183 HydrophobicContact CD2-CE2 3.79Å; L154-F183 HydrophobicContact CD2-CZ 4.01Å; L154-F183 HydrophobicContact CG-CE2 3.85Å; L154-F183 HydrophobicContact CG-CZ 3.71Å
155	L	90.9	Very high	90.6	Very high	13 Å²	13	43.3 Å²	43.3	7%	0.068	26%	0.257	C	S	.	.	H	α-helix	trans	-58.4	-41	176.2	-65.9	168	0	0	0	111.3	I150 P151 K152 M158 A159 F183 Y469	I150-L155 HydrophobicContact CB-CD1 4.19Å; I150-L155 HydrophobicContact CB-CD2 4.35Å; I150-L155 HydrophobicContact CB-CG 4.27Å; I150-L155 HydrophobicContact CG2-CD1 4.15Å; I150-L155 HydrophobicContact CG2-CD2 3.86Å; I150-L155 HydrophobicContact CG2-CG 3.71Å; P151-L155 PolarHBondContact O-N 3.47Å; K152-L155 PolarHBondContact O-N 2.74Å; L155-M158 PolarHBondContact O-N 2.89Å; L155-A159 WeakPolarHBondContact O-CB 3.42Å; L155-A159 PolarHBondContact O-N 2.97Å; L155-F183 HydrophobicContact CD2-CB 4.29Å; L155-F183 HydrophobicContact CD2-CD2 3.57Å; L155-F183 HydrophobicContact CD2-CE2 4.07Å; L155-F183 HydrophobicContact CD2-CG 3.84Å; L155-Y469 WeakPolarHBondContact CD1-OH 3.3Å
156	N	89.7	Confident	91.1	Very high	99 Å²	99	41.4 Å²	41.4	53%	0.529	24%	0.242	S	C	.	.	H	α-helix	trans	-62.2	-46.9	176.8	-73.1	-14.4	0	0	0	112.3	K152 L154 M158 A159 D160	K152-N156 WeakPolarHBondContact O-CB 3.48Å; K152-N156 PolarHBondContact O-N 2.92Å; K152-N156 PolarHBondContact O-ND2 2.9Å; K152-N156 PolarHBondContact O-OD1 3.47Å; L154-N156 VanDerWaalsContact C-N 3.27Å; L154-N156 PolarHBondContact O-N 2.67Å; N156-M158 VanDerWaalsContact C-N 3.27Å; N156-M158 PolarHBondContact O-N 3.42Å; N156-A159 PolarHBondContact O-N 3.33Å; N156-D160 WeakPolarHBondContact O-CB 3.46Å; N156-D160 PolarHBondContact O-N 3.08Å
157	I	95.4	Very high	91.8	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.015	20%	0.201	C	C	.	.	H	α-helix	trans	-58.7	-41.9	176.4	-71.8	166.5	0	0	0	110.8	W90 E94 L97 R98 L101 L107 T153 L154 K165	W90-I157 HydrophobicContact CH2-CD1 4.12Å; W90-I157 HydrophobicContact CZ2-CD1 4.1Å; E94-I157 HydrophobicContact CG-CD1 4.25Å; L97-I157 HydrophobicContact CD2-CD1 4.49Å; R98-I157 HydrophobicContact CG-CD1 4.31Å; L101-I157 HydrophobicContact CD1-CG1 4.5Å; L101-I157 HydrophobicContact CD1-CG2 3.85Å; L107-I157 HydrophobicContact CD1-CG2 3.9Å; T153-I157 WeakPolarHBondContact O-CG1 3.4Å; T153-I157 PolarHBondContact O-N 2.98Å; T153-I157 VanDerWaalsContact O-N 3.15Å; L154-I157 PolarHBondContact O-N 3.16Å; I157-K165 WeakPolarHBondContact O-CE 3.22Å; I157-K165 PolarHBondContact O-NZ 2.92Å
158	M	95.1	Very high	92.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-78	-32.3	-175.4	-66.4	-67.7	-80.9	0	0	112.5	L107 I109 L126 M128 L154 L155 N156 K165 F183 P184 V185 K186	L107-M158 HydrophobicContact CD1-SD 4.2Å; I109-M158 HydrophobicContact CG2-CE 4.32Å; L126-M158 HydrophobicContact CD1-CE 4.18Å; L126-M158 HydrophobicContact CD2-CE 4.39Å; M128-M158 HydrophobicContact SD-CE 4.3Å; M128-M158 HydrophobicContact SD-CG 4.28Å; M128-M158 HydrophobicContact SD-SD 3.69Å; M128-M158 VanDerWaalsContact SD-SD 3.69Å; L154-M158 HydrophobicContact CD1-CG 4.16Å; L154-M158 WeakPolarHBondContact O-CG 3.34Å; L154-M158 PolarHBondContact O-N 2.87Å; L155-M158 PolarHBondContact O-N 2.89Å; N156-M158 VanDerWaalsContact C-N 3.27Å; N156-M158 PolarHBondContact O-N 3.42Å; M158-K165 HydrophobicContact CE-CG 4.44Å; M158-K165 WeakPolarHBondContact O-CE 3.31Å; M158-K165 PolarHBondContact O-NZ 2.84Å; M158-K165 VanDerWaalsContact O-NZ 3.1Å; M158-K165 HydrophobicContact SD-CG 4.25Å; M158-F183 HydrophobicContact CB-CD1 4.21Å; M158-F183 HydrophobicContact CB-CE1 3.47Å; M158-F183 VanDerWaalsContact CB-CE1 3.47Å; M158-F183 HydrophobicContact CB-CZ 4.14Å; M158-F183 HydrophobicContact CE-CE1 3.79Å; M158-F183 HydrophobicContact CE-CZ 4.49Å; M158-F183 HydrophobicContact CG-CE1 3.46Å; M158-F183 VanDerWaalsContact CG-CE1 3.46Å; M158-F183 HydrophobicContact CG-CZ 3.77Å; M158-F183 HydrophobicContact SD-CE1 4.48Å; M158-P184 CarbonylContact C-O 3.58Å; M158-P184 VanDerWaalsContact C-O 3.29Å; M158-V185 HydrophobicContact CE-CG1 4.09Å; M158-V185 HydrophobicContact CE-CG2 4.07Å; M158-V185 WeakPolarHBondContact O-CA 3.12Å; M158-K186 PolarHBondContact O-N 2.96Å
159	A	89.3	Confident	93	Very high	21 Å²	21	30.1 Å²	30.1	17%	0.174	18%	0.177	C	C	.	.	H	α-helix	trans	-77.8	-16.4	175.1	0	0	0	0	0	114.6	L155 N156 S161 P184 K186	L155-A159 WeakPolarHBondContact O-CB 3.42Å; L155-A159 PolarHBondContact O-N 2.97Å; N156-A159 PolarHBondContact O-N 3.33Å; A159-S161 PolarHBondContact O-N 3.28Å; A159-P184 WeakPolarHBondContact CA-O 3.11Å; A159-P184 HydrophobicContact CB-CG 4.06Å; A159-P184 PolarHBondContact N-O 2.93Å; A159-P184 VanDerWaalsContact N-O 3.14Å; A159-K186 WeakPolarHBondContact O-CD 3.39Å; A159-K186 WeakPolarHBondContact O-CE 3.21Å; A159-K186 PolarHBondContact O-NZ 3.41Å
160	D	91.4	Very high	93.3	Very high	62 Å²	62	27.5 Å²	27.5	33%	0.332	16%	0.161	S	C	.	.			trans	-71	118.6	179.2	-168.4	-17.8	0	0	0	110.7	N156 T162 V163 K165	N156-D160 WeakPolarHBondContact O-CB 3.46Å; N156-D160 PolarHBondContact O-N 3.08Å; D160-T162 VanDerWaalsContact C-N 3.3Å; D160-T162 WeakPolarHBondContact OD1-CB 3.48Å; D160-T162 WeakPolarHBondContact OD1-CG2 3.42Å; D160-T162 PolarHBondContact OD1-N 2.77Å; D160-T162 PolarHBondContact OD1-OG1 2.94Å; D160-T162 PolarHBondContact OD2-OG1 3.12Å; D160-V163 HydrophobicContact CB-CG2 4.45Å; D160-K165 PolarHBondContact O-NZ 2.88Å
161	S	89.6	Confident	93.2	Very high	71 Å²	71	30.8 Å²	30.8	50%	0.497	17%	0.173	S	C	.	.	S	Bend	trans	-79.9	-8.8	178	48.3	0	0	0	0	113.9	A159	A159-S161 PolarHBondContact O-N 3.28Å
162	T	91.1	Very high	93.1	Very high	88 Å²	88	34.4 Å²	34.4	54%	0.54	19%	0.189	S	C	.	.	S	Bend	trans	-79.6	-26.3	173.6	70.5	0	0	0	0	112	D160	D160-T162 VanDerWaalsContact C-N 3.3Å; D160-T162 WeakPolarHBondContact OD1-CB 3.48Å; D160-T162 WeakPolarHBondContact OD1-CG2 3.42Å; D160-T162 PolarHBondContact OD1-N 2.77Å; D160-T162 PolarHBondContact OD1-OG1 2.94Å; D160-T162 PolarHBondContact OD2-OG1 3.12Å
163	V	96.1	Very high	93.4	Very high	9 Å²	9	30.5 Å²	30.5	6%	0.055	17%	0.173	C	C	.	.	S	Bend	trans	-88.2	112.6	171.2	177.9	0	0	0	0	109.4	L101 P105 L107 D160 K165	L101-V163 HydrophobicContact CD1-CG1 4.42Å; L101-V163 HydrophobicContact CD1-CG2 4.41Å; L101-V163 HydrophobicContact CD2-CG1 3.62Å; L101-V163 HydrophobicContact CD2-CG2 4.3Å; P105-V163 HydrophobicContact CB-CG2 3.97Å; P105-V163 CarbonylContact O-C 3.6Å; P105-V163 WeakPolarHBondContact O-CA 3.48Å; L107-V163 HydrophobicContact CD1-CG1 4.31Å; L107-V163 HydrophobicContact CG-CG1 4.16Å; D160-V163 HydrophobicContact CB-CG2 4.45Å; V163-K165 HydrophobicContact CG1-CD 4.3Å; V163-K165 WeakPolarHBondContact O-CD 3.35Å; V163-K165 PolarHBondContact O-NZ 3.4Å
164	L	97.4	Very high	93.2	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.016	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	139	177.9	-63.2	-177.7	0	0	0	111.6	P105 V106 L107 V166 G187 V189 F256 W278 V281 L282 V289	P105-L164 PolarHBondContact O-N 2.77Å; V106-L164 CarbonylContact C-O 3.59Å; V106-L164 WeakPolarHBondContact CA-O 3.33Å; V106-L164 HydrophobicContact CG2-CB 4.35Å; L107-L164 PolarHBondContact N-O 3.48Å; L164-V166 HydrophobicContact CB-CG1 4.22Å; L164-G187 CarbonylContact C-O 3.42Å; L164-G187 WeakPolarHBondContact CA-O 3.35Å; L164-V189 HydrophobicContact CD1-CG2 4.34Å; L164-V189 HydrophobicContact CD2-CG2 4.01Å; L164-F256 HydrophobicContact CD1-CE2 4.32Å; L164-F256 HydrophobicContact CD1-CZ 3.73Å; L164-W278 HydrophobicContact CD1-CH2 3.84Å; L164-W278 HydrophobicContact CD1-CZ2 3.84Å; L164-W278 HydrophobicContact CG-CH2 4.23Å; L164-W278 HydrophobicContact CG-CZ2 3.95Å; L164-V281 HydrophobicContact CD1-CG1 4.31Å; L164-L282 HydrophobicContact CD1-CD2 4.19Å; L164-V289 HydrophobicContact CD2-CG1 4.4Å; L164-V289 HydrophobicContact CD2-CG2 4.19Å
165	K	98.2	Very high	92.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	115.2	176.9	-79.7	64.7	160.9	-161.5	0	108	L107 I109 I157 M158 D160 V163 V185 K186 G187 N188 V189	L107-K165 CarbonylContact O-C 3.56Å; L107-K165 WeakPolarHBondContact O-CA 3.31Å; I109-K165 HydrophobicContact CD1-CB 3.74Å; I109-K165 HydrophobicContact CD1-CG 4.08Å; I109-K165 HydrophobicContact CG1-CB 4.02Å; I109-K165 HydrophobicContact CG2-CB 4.22Å; I109-K165 HydrophobicContact CG2-CG 3.95Å; I157-K165 WeakPolarHBondContact O-CE 3.22Å; I157-K165 PolarHBondContact O-NZ 2.92Å; M158-K165 HydrophobicContact CE-CG 4.44Å; M158-K165 WeakPolarHBondContact O-CE 3.31Å; M158-K165 PolarHBondContact O-NZ 2.84Å; M158-K165 VanDerWaalsContact O-NZ 3.1Å; M158-K165 HydrophobicContact SD-CG 4.25Å; D160-K165 PolarHBondContact O-NZ 2.88Å; V163-K165 HydrophobicContact CG1-CD 4.3Å; V163-K165 WeakPolarHBondContact O-CD 3.35Å; V163-K165 PolarHBondContact O-NZ 3.4Å; K165-V185 HydrophobicContact CB-CG1 4.34Å; K165-V185 HydrophobicContact CD-CG1 4.5Å; K165-V185 HydrophobicContact CG-CG1 3.91Å; K165-K186 WeakPolarHBondContact CD-O 3.13Å; K165-K186 WeakPolarHBondContact CE-O 3.47Å; K165-K186 PolarHBondContact NZ-O 3.36Å; K165-G187 PolarHBondContact N-O 2.98Å; K165-N188 CarbonylContact O-C 3.26Å; K165-N188 VanDerWaalsContact O-CA 3.26Å; K165-N188 WeakPolarHBondContact O-CA 3.48Å; K165-V189 PolarHBondContact O-N 3.05Å
166	V	98.1	Very high	92.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	137.1	-164.7	-49.9	0	0	0	0	110.7	V106 L107 G108 I109 L164 V189 L191 V253 F256	V106-V166 HydrophobicContact CG2-CB 4.5Å; V106-V166 HydrophobicContact CG2-CG1 3.65Å; V106-V166 HydrophobicContact CG2-CG2 3.96Å; L107-V166 PolarHBondContact O-N 2.81Å; G108-V166 CarbonylContact C-O 3.5Å; G108-V166 VanDerWaalsContact CA-O 3.3Å; G108-V166 WeakPolarHBondContact CA-O 3.23Å; I109-V166 PolarHBondContact N-O 3.41Å; L164-V166 HydrophobicContact CB-CG1 4.22Å; V166-V189 HydrophobicContact CG1-CB 4.32Å; V166-L191 HydrophobicContact CB-CD2 4.11Å; V166-V253 HydrophobicContact CG2-CB 4.47Å; V166-F256 HydrophobicContact CB-CB 4.32Å; V166-F256 HydrophobicContact CB-CD2 4.03Å; V166-F256 HydrophobicContact CB-CG 4.28Å; V166-F256 HydrophobicContact CG1-CB 4.48Å; V166-F256 HydrophobicContact CG1-CD1 4.47Å; V166-F256 HydrophobicContact CG1-CD2 3.52Å; V166-F256 HydrophobicContact CG1-CE2 3.7Å; V166-F256 HydrophobicContact CG1-CG 3.92Å; V166-F256 HydrophobicContact CG1-CZ 4.26Å; V166-F256 HydrophobicContact CG2-CB 3.85Å; V166-F256 HydrophobicContact CG2-CD2 4.4Å; V166-F256 HydrophobicContact CG2-CG 4.14Å
167	G	97.2	Very high	92.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.7	-174.9	-178.3	0	0	0	0	0	112	D190 L191	G167-D190 WeakPolarHBondContact O-CA 3.48Å; G167-L191 WeakPolarHBondContact O-CG 3.44Å; G167-L191 PolarHBondContact O-N 2.75Å
168	V	95.1	Very high	92.3	Very high	35 Å²	35	26.7 Å²	26.7	21%	0.212	15%	0.152	C	C	.	.	S	Bend	trans	-112.7	102.9	174.6	172.5	0	0	0	0	107.9	L191 R192 L209 L212	V168-L191 HydrophobicContact CG2-CB 4Å; V168-L191 HydrophobicContact CG2-CD1 4.32Å; V168-R192 HydrophobicContact CG1-CG 3.92Å; V168-R192 HydrophobicContact CG2-CG 4.26Å; V168-L209 HydrophobicContact CB-CB 4.09Å; V168-L209 HydrophobicContact CB-CD1 4.36Å; V168-L209 HydrophobicContact CG2-CB 4.08Å; V168-L209 HydrophobicContact CG2-CD1 3.78Å; V168-L212 HydrophobicContact CG2-CD1 3.98Å
169	G	91.3	Very high	91.6	Very high	10 Å²	10	33.7 Å²	33.7	10%	0.103	18%	0.184	C	C	.	.	S	Bend	trans	93.3	3.9	-170.4	0	0	0	0	0	114.6	W171 E172 D173 D190	G169-W171 PolarHBondContact O-N 3.1Å; G169-E172 WeakPolarHBondContact O-CA 3.46Å; G169-E172 WeakPolarHBondContact O-CB 3.5Å; G169-E172 PolarHBondContact O-N 3.34Å; G169-D173 PolarHBondContact O-N 2.77Å; G169-D173 VanDerWaalsContact O-OD2 3.11Å; G169-D190 PolarHBondContact N-OD2 3.42Å
170	C	92.6	Very high	91.5	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.007	19%	0.186	C	C	.	.	H	α-helix	trans	-57	-21.1	-177.2	62.6	0	0	0	0	114.6	I109 D173 A174	I109-C170 HydrophobicContact CD1-CB 4Å; I109-C170 HydrophobicContact CG1-CB 3.8Å; C170-D173 WeakPolarHBondContact CA-OD2 3.31Å; C170-A174 VanDerWaalsContact O-CB 3.24Å; C170-A174 WeakPolarHBondContact O-CB 3.36Å; C170-A174 PolarHBondContact O-N 3.26Å
171	W	88.9	Confident	91.2	Very high	70 Å²	70	32.3 Å²	32.3	27%	0.265	17%	0.173	S	C	.	.	H	α-helix	trans	-69.7	-42.1	171.2	175.9	-85.3	0	0	0	112.2	G169 D173 A174 C175 N188 D290 P292	G169-W171 PolarHBondContact O-N 3.1Å; W171-D173 VanDerWaalsContact C-N 3.31Å; W171-A174 PolarHBondContact O-N 2.86Å; W171-C175 PolarHBondContact NE1-SG 3.05Å; W171-C175 PolarHBondContact O-N 3.04Å; W171-C175 PolarHBondContact O-SG 2.83Å; W171-N188 HydrophobicContact CE3-CB 4.33Å; W171-D290 VanDerWaalsContact CZ3-C 3.46Å; W171-D290 HydrophobicContact CZ3-CB 3.74Å; W171-D290 WeakPolarHBondContact CZ3-O 3.13Å; W171-P292 HydrophobicContact CD2-CB 4.32Å; W171-P292 HydrophobicContact CG-CB 4.04Å
172	E	88.9	Confident	90.8	Very high	89 Å²	89	29 Å²	29	42%	0.416	15%	0.151	S	C	.	.	H	α-helix	trans	-64	-37.9	175.1	-66.3	92.3	136.7	0	0	111.2	G169 C175 K176 R192	G169-E172 WeakPolarHBondContact O-CA 3.46Å; G169-E172 WeakPolarHBondContact O-CB 3.5Å; G169-E172 PolarHBondContact O-N 3.34Å; E172-C175 WeakPolarHBondContact O-CB 3.23Å; E172-C175 PolarHBondContact O-N 2.73Å; E172-K176 PolarHBondContact O-N 2.8Å; E172-R192 IonicContact OE1-NH2 3.7Å; E172-R192 IonicContact OE2-NH2 3.34Å
173	D	94.4	Very high	90.2	Very high	15 Å²	15	24.9 Å²	24.9	8%	0.08	13%	0.125	C	C	.	.	H	α-helix	trans	-68.9	-45.7	174.9	-53.1	-46.8	0	0	0	111.7	C111 G169 C170 W171 C175 K176 L177	C111-D173 HydrophobicContact CB-CB 4Å; G169-D173 PolarHBondContact O-N 2.77Å; G169-D173 VanDerWaalsContact O-OD2 3.11Å; C170-D173 WeakPolarHBondContact CA-OD2 3.31Å; W171-D173 VanDerWaalsContact C-N 3.31Å; D173-C175 PolarHBondContact O-N 3.34Å; D173-K176 WeakPolarHBondContact O-CA 3.46Å; D173-K176 WeakPolarHBondContact O-CB 3.37Å; D173-K176 PolarHBondContact O-N 2.82Å; D173-L177 WeakPolarHBondContact O-CB 3.42Å; D173-L177 WeakPolarHBondContact O-CG 3.31Å; D173-L177 PolarHBondContact O-N 2.74Å
174	A	90.6	Very high	89.6	Confident	8 Å²	8	25.5 Å²	25.5	7%	0.066	13%	0.13	C	C	.	.	H	α-helix	trans	-54.6	-39.1	170.2	0	0	0	0	0	112.6	C170 W171 L178 V185	C170-A174 VanDerWaalsContact O-CB 3.24Å; C170-A174 WeakPolarHBondContact O-CB 3.36Å; C170-A174 PolarHBondContact O-N 3.26Å; W171-A174 PolarHBondContact O-N 2.86Å; A174-L178 WeakPolarHBondContact O-CB 3.5Å; A174-L178 PolarHBondContact O-N 3.13Å; A174-L178 VanDerWaalsContact O-N 3.08Å; A174-V185 HydrophobicContact CB-CB 3.7Å; A174-V185 HydrophobicContact CB-CG1 4.16Å; A174-V185 HydrophobicContact CB-CG2 4.06Å
175	C	84.5	Confident	89.2	Confident	24 Å²	24	26.2 Å²	26.2	16%	0.162	13%	0.134	C	C	.	.	H	α-helix	trans	-65.2	-39.9	174.7	-70.6	0	0	0	0	112.1	W171 E172 D173 Q179 L343	W171-C175 PolarHBondContact NE1-SG 3.05Å; W171-C175 PolarHBondContact O-N 3.04Å; W171-C175 PolarHBondContact O-SG 2.83Å; E172-C175 WeakPolarHBondContact O-CB 3.23Å; E172-C175 PolarHBondContact O-N 2.73Å; D173-C175 PolarHBondContact O-N 3.34Å; C175-Q179 WeakPolarHBondContact O-CB 3.3Å; C175-Q179 PolarHBondContact O-N 2.79Å; C175-Q179 VanDerWaalsContact O-N 3.09Å; C175-L343 HydrophobicContact CB-CD1 3.63Å; C175-L343 HydrophobicContact CB-CG 3.97Å
176	K	90.6	Very high	88.8	Confident	24 Å²	24	29.9 Å²	29.9	10%	0.104	15%	0.15	C	C	.	.	H	α-helix	trans	-71.1	-45.4	179.8	-173.9	173.7	164.9	39.2	0	111.7	W113 N121 V123 E172 D173 L178 Q179 D180	W113-K176 HydrophobicContact CD2-CD 3.95Å; W113-K176 HydrophobicContact CE3-CD 3.75Å; W113-K176 VanDerWaalsContact CE3-CE 3.46Å; W113-K176 HydrophobicContact CH2-CD 4.24Å; W113-K176 HydrophobicContact CZ2-CD 4.42Å; W113-K176 HydrophobicContact CZ3-CD 3.9Å; N121-K176 PolarHBondContact O-NZ 2.76Å; V123-K176 HydrophobicContact CG2-CB 4.36Å; V123-K176 HydrophobicContact CG2-CD 3.89Å; V123-K176 HydrophobicContact CG2-CG 3.69Å; E172-K176 PolarHBondContact O-N 2.8Å; D173-K176 WeakPolarHBondContact O-CA 3.46Å; D173-K176 WeakPolarHBondContact O-CB 3.37Å; D173-K176 PolarHBondContact O-N 2.82Å; K176-L178 VanDerWaalsContact C-N 3.32Å; K176-L178 PolarHBondContact O-N 3.44Å; K176-Q179 PolarHBondContact O-N 3.32Å; K176-Q179 VanDerWaalsContact O-N 3.1Å; K176-D180 VanDerWaalsContact CG-OD2 3.26Å; K176-D180 WeakPolarHBondContact CG-OD2 3.44Å; K176-D180 IonicContact NZ-OD1 3.55Å; K176-D180 IonicContact NZ-OD2 3.78Å; K176-D180 PolarHBondContact NZ-OD2 3.41Å; K176-D180 WeakPolarHBondContact O-CB 3.42Å; K176-D180 VanDerWaalsContact O-CG 3.22Å; K176-D180 PolarHBondContact O-N 3.15Å
177	L	92.4	Very high	88.6	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-54.6	-44.7	171.9	-73.1	167.8	0	0	0	112.2	V123 L126 L140 D173 Y181 G182 F183 V185	V123-L177 HydrophobicContact CB-CD2 4.22Å; V123-L177 HydrophobicContact CG1-CD2 4.15Å; V123-L177 HydrophobicContact CG2-CD2 3.99Å; V123-L177 HydrophobicContact CG2-CG 4.31Å; L126-L177 HydrophobicContact CB-CD2 4.5Å; L126-L177 HydrophobicContact CD1-CD1 4.05Å; L140-L177 HydrophobicContact CD1-CD2 3.63Å; D173-L177 WeakPolarHBondContact O-CB 3.42Å; D173-L177 WeakPolarHBondContact O-CG 3.31Å; D173-L177 PolarHBondContact O-N 2.74Å; L177-Y181 PolarHBondContact O-N 3.39Å; L177-G182 PolarHBondContact O-N 3.03Å; L177-F183 HydrophobicContact CB-CB 4.09Å; L177-F183 HydrophobicContact CB-CD1 4.23Å; L177-F183 HydrophobicContact CB-CG 4.43Å; L177-F183 HydrophobicContact CD1-CD1 4.43Å; L177-F183 WeakPolarHBondContact O-CB 3.34Å; L177-F183 PolarHBondContact O-N 3.1Å; L177-V185 HydrophobicContact CB-CG2 4.41Å; L177-V185 HydrophobicContact CD1-CG2 3.89Å
178	L	85.3	Confident	88.4	Confident	31 Å²	31	30 Å²	30	16%	0.162	15%	0.151	C	C	.	.	H	α-helix	trans	-66.8	-35.1	176.8	-177	57.9	0	0	0	112.9	A174 K176 G182 F183 P184 L343 A464 V465	A174-L178 WeakPolarHBondContact O-CB 3.5Å; A174-L178 PolarHBondContact O-N 3.13Å; A174-L178 VanDerWaalsContact O-N 3.08Å; K176-L178 VanDerWaalsContact C-N 3.32Å; K176-L178 PolarHBondContact O-N 3.44Å; L178-G182 VanDerWaalsContact O-CA 3.31Å; L178-G182 WeakPolarHBondContact O-CA 3.16Å; L178-G182 PolarHBondContact O-N 3.15Å; L178-F183 WeakPolarHBondContact CA-O 3.33Å; L178-F183 PolarHBondContact N-O 3.44Å; L178-P184 HydrophobicContact CD1-CB 4.49Å; L178-L343 HydrophobicContact CD2-CD1 4.07Å; L178-A464 HydrophobicContact CD1-CB 3.84Å; L178-A464 HydrophobicContact CD2-CB 4.37Å; L178-A464 HydrophobicContact CG-CB 4.06Å; L178-V465 HydrophobicContact CD1-CG2 4.29Å
179	Q	80.3	Confident	88.5	Confident	146 Å²	146	28.4 Å²	28.4	68%	0.682	14%	0.141	S	C	*	.	H	α-helix	trans	-71.8	-45	177.6	176.6	177.3	-29.9	0	0	112.1	C175 K176	C175-Q179 WeakPolarHBondContact O-CB 3.3Å; C175-Q179 PolarHBondContact O-N 2.79Å; C175-Q179 VanDerWaalsContact O-N 3.09Å; K176-Q179 PolarHBondContact O-N 3.32Å; K176-Q179 VanDerWaalsContact O-N 3.1Å
180	D	86.6	Confident	88.7	Confident	39 Å²	39	28 Å²	28	21%	0.209	14%	0.136	C	C	.	.	H	α-helix	trans	-85.3	-40.7	-169.6	-62	-14.8	0	0	0	112.2	P122 V123 K176	P122-D180 VanDerWaalsContact CA-OD2 3.29Å; P122-D180 WeakPolarHBondContact CA-OD2 3.38Å; P122-D180 HydrophobicContact CB-CB 4.18Å; V123-D180 PolarHBondContact N-OD2 3.13Å; K176-D180 VanDerWaalsContact CG-OD2 3.26Å; K176-D180 WeakPolarHBondContact CG-OD2 3.44Å; K176-D180 IonicContact NZ-OD1 3.55Å; K176-D180 IonicContact NZ-OD2 3.78Å; K176-D180 PolarHBondContact NZ-OD2 3.41Å; K176-D180 WeakPolarHBondContact O-CB 3.42Å; K176-D180 VanDerWaalsContact O-CG 3.22Å; K176-D180 PolarHBondContact O-N 3.15Å
181	Y	86.5	Confident	88.8	Confident	15 Å²	15	28 Å²	28	6%	0.059	14%	0.136	C	C	.	.	H	α-helix	trans	-122.5	12.6	-171.9	-65.8	-81.7	0	0	0	113.7	P122 V123 L140 V144 I150 L177 F183 Y468	P122-Y181 HydrophobicContact CB-CE2 3.98Å; V123-Y181 HydrophobicContact CB-CD2 4.43Å; V123-Y181 HydrophobicContact CB-CE2 3.97Å; V123-Y181 VanDerWaalsContact O-CE2 3.29Å; V123-Y181 WeakPolarHBondContact O-CE2 3.45Å; V123-Y181 PolarHBondContact O-OH 2.88Å; V123-Y181 VanDerWaalsContact O-OH 3.11Å; L140-Y181 HydrophobicContact CB-CD1 4.48Å; L140-Y181 HydrophobicContact CB-CD2 4.45Å; L140-Y181 HydrophobicContact CB-CE1 3.97Å; L140-Y181 HydrophobicContact CB-CE2 3.94Å; L140-Y181 HydrophobicContact CD1-CD2 3.83Å; L140-Y181 HydrophobicContact CD1-CE2 3.86Å; L140-Y181 HydrophobicContact CD1-CG 4.43Å; V144-Y181 HydrophobicContact CG1-CD1 4.28Å; V144-Y181 HydrophobicContact CG1-CE1 4.36Å; V144-Y181 HydrophobicContact CG2-CE1 3.93Å; I150-Y181 HydrophobicContact CD1-CD1 4.32Å; L177-Y181 PolarHBondContact O-N 3.39Å; Y181-F183 PolarHBondContact O-N 3.38Å; Y181-Y468 VanDerWaalsContact C-CE2 3.46Å; Y181-Y468 VanDerWaalsContact C-CG 3.49Å; Y181-Y468 VanDerWaalsContact CA-CE2 3.5Å; Y181-Y468 HydrophobicContact CD1-CE2 4.44Å; Y181-Y468 WeakPolarHBondContact O-CD1 3.38Å; Y181-Y468 WeakPolarHBondContact O-CD2 3.28Å; Y181-Y468 WeakPolarHBondContact O-CE1 3.41Å; Y181-Y468 WeakPolarHBondContact O-CE2 3.35Å
182	G	79.8	Confident	89	Confident	3 Å²	3	26.4 Å²	26.4	3%	0.031	13%	0.13	C	C	.	.			trans	60.1	17.4	-176.5	0	0	0	0	0	113.8	L177 L178 P184 V465 Y468	L177-G182 PolarHBondContact O-N 3.03Å; L178-G182 VanDerWaalsContact O-CA 3.31Å; L178-G182 WeakPolarHBondContact O-CA 3.16Å; L178-G182 PolarHBondContact O-N 3.15Å; G182-P184 VanDerWaalsContact O-CD 3.28Å; G182-P184 WeakPolarHBondContact O-CD 3.39Å; G182-V465 VanDerWaalsContact O-CG2 3.28Å; G182-V465 WeakPolarHBondContact O-CG2 3.45Å; G182-Y468 VanDerWaalsContact CA-CB 3.43Å
183	F	79.9	Confident	89.1	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.119	C	C	.	.			trans	-87.2	106	-159.8	-163.8	-77.2	0	0	0	110.2	L126 L140 I150 L154 L155 M158 L177 L178 Y181 V185	L126-F183 HydrophobicContact CD2-CE1 4.02Å; L126-F183 HydrophobicContact CD2-CE2 4.17Å; L126-F183 HydrophobicContact CD2-CZ 3.49Å; L126-F183 VanDerWaalsContact CD2-CZ 3.49Å; L140-F183 HydrophobicContact CD2-CE2 4.37Å; I150-F183 HydrophobicContact CG1-CD2 4.43Å; I150-F183 HydrophobicContact CG2-CD2 4.02Å; I150-F183 HydrophobicContact CG2-CE2 3.79Å; L154-F183 HydrophobicContact CD1-CZ 4.03Å; L154-F183 HydrophobicContact CD2-CE2 3.79Å; L154-F183 HydrophobicContact CD2-CZ 4.01Å; L154-F183 HydrophobicContact CG-CE2 3.85Å; L154-F183 HydrophobicContact CG-CZ 3.71Å; L155-F183 HydrophobicContact CD2-CB 4.29Å; L155-F183 HydrophobicContact CD2-CD2 3.57Å; L155-F183 HydrophobicContact CD2-CE2 4.07Å; L155-F183 HydrophobicContact CD2-CG 3.84Å; M158-F183 HydrophobicContact CB-CD1 4.21Å; M158-F183 HydrophobicContact CB-CE1 3.47Å; M158-F183 VanDerWaalsContact CB-CE1 3.47Å; M158-F183 HydrophobicContact CB-CZ 4.14Å; M158-F183 HydrophobicContact CE-CE1 3.79Å; M158-F183 HydrophobicContact CE-CZ 4.49Å; M158-F183 HydrophobicContact CG-CE1 3.46Å; M158-F183 VanDerWaalsContact CG-CE1 3.46Å; M158-F183 HydrophobicContact CG-CZ 3.77Å; M158-F183 HydrophobicContact SD-CE1 4.48Å; L177-F183 HydrophobicContact CB-CB 4.09Å; L177-F183 HydrophobicContact CB-CD1 4.23Å; L177-F183 HydrophobicContact CB-CG 4.43Å; L177-F183 HydrophobicContact CD1-CD1 4.43Å; L177-F183 WeakPolarHBondContact O-CB 3.34Å; L177-F183 PolarHBondContact O-N 3.1Å; L178-F183 WeakPolarHBondContact CA-O 3.33Å; L178-F183 PolarHBondContact N-O 3.44Å; Y181-F183 PolarHBondContact O-N 3.38Å; F183-V185 HydrophobicContact CD1-CG2 3.84Å; F183-V185 HydrophobicContact CE1-CG2 4.19Å; F183-V185 PolarHBondContact O-N 2.96Å
184	P	83.1	Confident	88.8	Confident	23 Å²	23	23.6 Å²	23.6	15%	0.149	12%	0.115	C	C	.	.			trans	-85	106.9	-170.4	30.6	-25.9	0	0	0	110.3	M158 A159 L178 G182 V465	M158-P184 CarbonylContact C-O 3.58Å; M158-P184 VanDerWaalsContact C-O 3.29Å; A159-P184 WeakPolarHBondContact CA-O 3.11Å; A159-P184 HydrophobicContact CB-CG 4.06Å; A159-P184 PolarHBondContact N-O 2.93Å; A159-P184 VanDerWaalsContact N-O 3.14Å; L178-P184 HydrophobicContact CD1-CB 4.49Å; G182-P184 VanDerWaalsContact O-CD 3.28Å; G182-P184 WeakPolarHBondContact O-CD 3.39Å; P184-V465 HydrophobicContact CB-CG2 3.87Å; P184-V465 HydrophobicContact CG-CG2 3.76Å
185	V	89.9	Confident	88.8	Confident	18 Å²	18	23.2 Å²	23.2	11%	0.109	11%	0.112	C	C	.	.			trans	-96.3	128.8	175	-167	0	0	0	0	110.3	I109 M158 K165 A174 L177 F183 N188	I109-V185 HydrophobicContact CD1-CG1 4.37Å; M158-V185 HydrophobicContact CE-CG1 4.09Å; M158-V185 HydrophobicContact CE-CG2 4.07Å; M158-V185 WeakPolarHBondContact O-CA 3.12Å; K165-V185 HydrophobicContact CB-CG1 4.34Å; K165-V185 HydrophobicContact CD-CG1 4.5Å; K165-V185 HydrophobicContact CG-CG1 3.91Å; A174-V185 HydrophobicContact CB-CB 3.7Å; A174-V185 HydrophobicContact CB-CG1 4.16Å; A174-V185 HydrophobicContact CB-CG2 4.06Å; L177-V185 HydrophobicContact CB-CG2 4.41Å; L177-V185 HydrophobicContact CD1-CG2 3.89Å; F183-V185 HydrophobicContact CD1-CG2 3.84Å; F183-V185 HydrophobicContact CE1-CG2 4.19Å; F183-V185 PolarHBondContact O-N 2.96Å; V185-N188 WeakPolarHBondContact CG1-OD1 3.47Å; V185-N188 PolarHBondContact O-ND2 3.23Å
186	K	89.5	Confident	88.9	Confident	77 Å²	77	25.3 Å²	25.3	34%	0.335	12%	0.12	S	C	.	.			trans	-129.4	162.3	171.7	-53.5	-167.1	-151.2	115.8	0	110.9	M158 A159 K165	M158-K186 PolarHBondContact O-N 2.96Å; A159-K186 WeakPolarHBondContact O-CD 3.39Å; A159-K186 WeakPolarHBondContact O-CE 3.21Å; A159-K186 PolarHBondContact O-NZ 3.41Å; K165-K186 WeakPolarHBondContact CD-O 3.13Å; K165-K186 WeakPolarHBondContact CE-O 3.47Å; K165-K186 PolarHBondContact NZ-O 3.36Å
187	G	92.2	Very high	88.7	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.137	C	C	.	.			trans	85.5	18.5	-178.6	0	0	0	0	0	113	L164 K165 V189 D290	L164-G187 CarbonylContact C-O 3.42Å; L164-G187 WeakPolarHBondContact CA-O 3.35Å; K165-G187 PolarHBondContact N-O 2.98Å; G187-V189 PolarHBondContact O-N 3.31Å; G187-D290 PolarHBondContact N-OD1 3.08Å; G187-D290 VanDerWaalsContact N-OD1 3.11Å; G187-D290 PolarHBondContact N-OD2 2.95Å
188	N	94.8	Very high	88.1	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.016	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	127.9	-175	-61.5	-81.2	0	0	0	110.9	K165 W171 V185 V289 D290	K165-N188 CarbonylContact O-C 3.26Å; K165-N188 VanDerWaalsContact O-CA 3.26Å; K165-N188 WeakPolarHBondContact O-CA 3.48Å; W171-N188 HydrophobicContact CE3-CB 4.33Å; V185-N188 WeakPolarHBondContact CG1-OD1 3.47Å; V185-N188 PolarHBondContact O-ND2 3.23Å; N188-V289 CarbonylContact O-C 3.59Å; N188-V289 WeakPolarHBondContact O-CA 3.28Å; N188-D290 WeakPolarHBondContact CB-OD1 3.03Å; N188-D290 PolarHBondContact N-OD1 3.21Å; N188-D290 PolarHBondContact ND2-OD1 3.38Å; N188-D290 PolarHBondContact O-N 3.24Å
189	V	95.6	Very high	87.6	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	107.2	176	-178.8	0	0	0	0	109.3	L164 K165 V166 G187 L191 L194 F256 C285 L288 V289	L164-V189 HydrophobicContact CD1-CG2 4.34Å; L164-V189 HydrophobicContact CD2-CG2 4.01Å; K165-V189 PolarHBondContact O-N 3.05Å; V166-V189 HydrophobicContact CG1-CB 4.32Å; G187-V189 PolarHBondContact O-N 3.31Å; V189-L191 PolarHBondContact O-N 3.45Å; V189-L194 HydrophobicContact CG1-CD1 3.81Å; V189-L194 HydrophobicContact CG1-CG 4.13Å; V189-F256 HydrophobicContact CG1-CE2 4.46Å; V189-C285 HydrophobicContact CG2-CB 4.49Å; V189-L288 HydrophobicContact CG1-CB 4.33Å; V189-V289 HydrophobicContact CG2-CB 4.45Å; V189-V289 HydrophobicContact CG2-CG2 3.9Å
190	D	95.3	Very high	87.1	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.011	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	119.8	178.2	-167	-67.5	0	0	0	111.1	G167 G169 R192 Y193	G167-D190 WeakPolarHBondContact O-CA 3.48Å; G169-D190 PolarHBondContact N-OD2 3.42Å; D190-R192 VanDerWaalsContact CG-NE 3.33Å; D190-R192 PolarHBondContact O-N 3.01Å; D190-R192 VanDerWaalsContact O-N 3.12Å; D190-R192 WeakPolarHBondContact OD1-CB 3.26Å; D190-R192 WeakPolarHBondContact OD1-CG 3.47Å; D190-R192 IonicContact OD1-CZ 3.03Å; D190-R192 PolarHBondContact OD1-N 3.23Å; D190-R192 IonicContact OD1-NE 2.69Å; D190-R192 PolarHBondContact OD1-NE 3.33Å; D190-R192 IonicContact OD1-NH2 3.52Å; D190-R192 IonicContact OD2-CZ 2.67Å; D190-R192 VanDerWaalsContact OD2-CZ 3.27Å; D190-R192 IonicContact OD2-NE 3.57Å; D190-R192 PolarHBondContact OD2-NE 3.1Å; D190-R192 VanDerWaalsContact OD2-NE 3.09Å; D190-R192 IonicContact OD2-NH2 3.71Å; D190-R192 PolarHBondContact OD2-NH2 3.32Å; D190-Y193 HydrophobicContact CB-CD2 4.19Å; D190-Y193 PolarHBondContact O-N 3.01Å; D190-Y193 VanDerWaalsContact O-N 3.09Å
191	L	95.1	Very high	86.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.6	-24	-175.4	-64.5	174	0	0	0	113	V166 G167 V168 V189 Y193 L194 A195 L209 S252 L255 F256	V166-L191 HydrophobicContact CB-CD2 4.11Å; G167-L191 WeakPolarHBondContact O-CG 3.44Å; G167-L191 PolarHBondContact O-N 2.75Å; V168-L191 HydrophobicContact CG2-CB 4Å; V168-L191 HydrophobicContact CG2-CD1 4.32Å; V189-L191 PolarHBondContact O-N 3.45Å; L191-Y193 VanDerWaalsContact C-N 3.29Å; L191-Y193 PolarHBondContact O-N 2.65Å; L191-L194 HydrophobicContact CD2-CD1 4.37Å; L191-L194 PolarHBondContact O-N 2.7Å; L191-A195 WeakPolarHBondContact O-CB 3.47Å; L191-A195 PolarHBondContact O-N 2.76Å; L191-L209 HydrophobicContact CD1-CD1 4.36Å; L191-S252 WeakPolarHBondContact CD1-O 3.23Å; L191-L255 HydrophobicContact CD1-CB 4.03Å; L191-L255 HydrophobicContact CD1-CD1 4.22Å; L191-F256 HydrophobicContact CD2-CB 3.8Å; L191-F256 HydrophobicContact CD2-CD2 4.05Å; L191-F256 HydrophobicContact CD2-CG 4.45Å
192	R	92.6	Very high	85.4	Confident	38 Å²	38	39 Å²	39	14%	0.143	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-39	177.3	-58	176	-84.7	-166.5	-0.8	110.8	V168 E172 D190 M196 L207 F293	V168-R192 HydrophobicContact CG1-CG 3.92Å; V168-R192 HydrophobicContact CG2-CG 4.26Å; E172-R192 IonicContact OE1-NH2 3.7Å; E172-R192 IonicContact OE2-NH2 3.34Å; D190-R192 VanDerWaalsContact CG-NE 3.33Å; D190-R192 PolarHBondContact O-N 3.01Å; D190-R192 VanDerWaalsContact O-N 3.12Å; D190-R192 WeakPolarHBondContact OD1-CB 3.26Å; D190-R192 WeakPolarHBondContact OD1-CG 3.47Å; D190-R192 IonicContact OD1-CZ 3.03Å; D190-R192 PolarHBondContact OD1-N 3.23Å; D190-R192 IonicContact OD1-NE 2.69Å; D190-R192 PolarHBondContact OD1-NE 3.33Å; D190-R192 IonicContact OD1-NH2 3.52Å; D190-R192 IonicContact OD2-CZ 2.67Å; D190-R192 VanDerWaalsContact OD2-CZ 3.27Å; D190-R192 IonicContact OD2-NE 3.57Å; D190-R192 PolarHBondContact OD2-NE 3.1Å; D190-R192 VanDerWaalsContact OD2-NE 3.09Å; D190-R192 IonicContact OD2-NH2 3.71Å; D190-R192 PolarHBondContact OD2-NH2 3.32Å; R192-M196 WeakPolarHBondContact O-CB 3.44Å; R192-M196 WeakPolarHBondContact O-CG 3.49Å; R192-M196 PolarHBondContact O-N 3.49Å; R192-L207 HydrophobicContact CB-CB 4.33Å; R192-L207 HydrophobicContact CB-CD1 4.48Å; R192-L207 VanDerWaalsContact CD-O 3.31Å; R192-L207 WeakPolarHBondContact CD-O 3.35Å; R192-L207 HydrophobicContact CG-CB 3.99Å; R192-L207 VanDerWaalsContact CG-O 3.25Å; R192-L207 WeakPolarHBondContact CG-O 3.49Å; R192-F293 HydrophobicContact CB-CD2 3.73Å; R192-F293 HydrophobicContact CB-CE1 4.4Å; R192-F293 HydrophobicContact CB-CE2 3.37Å; R192-F293 HydrophobicContact CB-CG 4.4Å; R192-F293 HydrophobicContact CB-CZ 3.75Å; R192-F293 HydrophobicContact CG-CE2 4.43Å; R192-F293 VanDerWaalsContact CZ-CD1 3.43Å; R192-F293 VanDerWaalsContact NH2-CB 3.29Å
193	Y	91.2	Very high	84.5	Confident	45 Å²	45	43.2 Å²	43.2	18%	0.176	20%	0.196	C	C	.	.	H	α-helix	trans	-68	-38.9	175.8	-75	-53.4	0	0	0	112.6	D190 L191 M196 R197 L288 I291 P292 F293 R294	D190-Y193 HydrophobicContact CB-CD2 4.19Å; D190-Y193 PolarHBondContact O-N 3.01Å; D190-Y193 VanDerWaalsContact O-N 3.09Å; L191-Y193 VanDerWaalsContact C-N 3.29Å; L191-Y193 PolarHBondContact O-N 2.65Å; Y193-M196 PolarHBondContact O-N 3.2Å; Y193-R197 WeakPolarHBondContact O-CG 3.32Å; Y193-R197 PolarHBondContact O-N 2.9Å; Y193-L288 HydrophobicContact CD1-CD2 4.41Å; Y193-L288 HydrophobicContact CD2-CD2 4.21Å; Y193-L288 HydrophobicContact CG-CD2 3.88Å; Y193-I291 HydrophobicContact CE2-CG2 4.07Å; Y193-P292 PolarHBondContact OH-O 3.45Å; Y193-F293 AromaticContact CD1-CD2 3.9Å; Y193-F293 HydrophobicContact CD1-CD2 3.9Å; Y193-F293 AromaticContact CD1-CE2 3.86Å; Y193-F293 HydrophobicContact CD1-CE2 3.86Å; Y193-F293 AromaticContact CD2-CD2 3.86Å; Y193-F293 HydrophobicContact CD2-CD2 3.86Å; Y193-F293 AromaticContact CE1-CD2 3.72Å; Y193-F293 HydrophobicContact CE1-CD2 3.72Å; Y193-F293 AromaticContact CE1-CE2 3.86Å; Y193-F293 HydrophobicContact CE1-CE2 3.86Å; Y193-F293 HydrophobicContact CE2-CB 4.21Å; Y193-F293 AromaticContact CE2-CD2 3.68Å; Y193-F293 HydrophobicContact CE2-CD2 3.68Å; Y193-F293 HydrophobicContact CE2-CG 4.4Å; Y193-F293 AromaticContact CG-CD2 3.96Å; Y193-F293 HydrophobicContact CG-CD2 3.96Å; Y193-F293 HydrophobicContact CG-CE2 4.23Å; Y193-F293 AromaticContact CZ-CD2 3.62Å; Y193-F293 WeakPolarHBondContact OH-CA 3.29Å; Y193-R294 PolarHBondContact OH-N 2.71Å; Y193-R294 VanDerWaalsContact OH-N 3.11Å
194	L	89.6	Confident	83.5	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.6	-44.4	175.6	-73	176.4	0	0	0	111.5	V189 L191 M196 R197 Q198 F256 L259 L260 L288	V189-L194 HydrophobicContact CG1-CD1 3.81Å; V189-L194 HydrophobicContact CG1-CG 4.13Å; L191-L194 HydrophobicContact CD2-CD1 4.37Å; L191-L194 PolarHBondContact O-N 2.7Å; L194-M196 PolarHBondContact O-N 2.79Å; L194-R197 PolarHBondContact O-N 2.94Å; L194-Q198 WeakPolarHBondContact O-CB 3.28Å; L194-Q198 VanDerWaalsContact O-CG 3.28Å; L194-Q198 WeakPolarHBondContact O-CG 3.46Å; L194-Q198 PolarHBondContact O-N 2.86Å; L194-F256 HydrophobicContact CD1-CD2 3.51Å; L194-F256 HydrophobicContact CD1-CE2 3.66Å; L194-L259 HydrophobicContact CB-CD1 4.14Å; L194-L260 HydrophobicContact CD2-CD2 4.03Å; L194-L288 HydrophobicContact CD2-CD1 3.64Å; L194-L288 HydrophobicContact CG-CD1 4.01Å
195	A	89.4	Confident	82.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-56.8	-49.1	174	0	0	0	0	0	111.1	L191 R197 Q198 R199 L202 L207 L212 L259	L191-A195 WeakPolarHBondContact O-CB 3.47Å; L191-A195 PolarHBondContact O-N 2.76Å; A195-R197 VanDerWaalsContact C-N 3.31Å; A195-R197 PolarHBondContact O-N 2.8Å; A195-Q198 PolarHBondContact O-N 3.4Å; A195-R199 WeakPolarHBondContact O-CA 3.21Å; A195-R199 WeakPolarHBondContact O-CB 3.27Å; A195-R199 PolarHBondContact O-N 3.4Å; A195-L202 HydrophobicContact CB-CD1 4.41Å; A195-L207 HydrophobicContact CB-CD2 4.43Å; A195-L212 HydrophobicContact CB-CD1 4.47Å; A195-L212 HydrophobicContact CB-CD2 3.72Å; A195-L259 HydrophobicContact CB-CD1 4.18Å; A195-L259 HydrophobicContact CB-CD2 4.41Å
196	M	87.3	Confident	81.5	Confident	67 Å²	67	57.7 Å²	57.7	33%	0.33	27%	0.268	S	S	.	.	H	α-helix	trans	-62.2	-32.2	177.1	-71.1	173.3	68.7	0	0	113.9	R192 Y193 L194 L203 L207 F293	R192-M196 WeakPolarHBondContact O-CB 3.44Å; R192-M196 WeakPolarHBondContact O-CG 3.49Å; R192-M196 PolarHBondContact O-N 3.49Å; Y193-M196 PolarHBondContact O-N 3.2Å; L194-M196 PolarHBondContact O-N 2.79Å; M196-L203 HydrophobicContact CB-CD2 4.47Å; M196-L203 HydrophobicContact CE-CD2 4.43Å; M196-L203 HydrophobicContact CG-CD2 4.32Å; M196-L207 HydrophobicContact CG-CD1 4.01Å; M196-L207 HydrophobicContact CG-CD2 4.23Å; M196-L207 HydrophobicContact SD-CD1 3.74Å; M196-F293 HydrophobicContact SD-CE2 3.93Å; M196-F293 HydrophobicContact SD-CZ 3.99Å
197	R	85.8	Confident	81.4	Confident	121 Å²	121	55.5 Å²	55.5	46%	0.457	26%	0.26	S	S	.	.	H	α-helix	trans	-73.5	-38	175.4	-78.9	-172.9	179.8	-178.3	-2.3	112.9	Y193 L194 A195 R284 Q286 L288	Y193-R197 WeakPolarHBondContact O-CG 3.32Å; Y193-R197 PolarHBondContact O-N 2.9Å; L194-R197 PolarHBondContact O-N 2.94Å; A195-R197 VanDerWaalsContact C-N 3.31Å; A195-R197 PolarHBondContact O-N 2.8Å; R197-R284 PolarHBondContact NH1-O 3.41Å; R197-Q286 PolarHBondContact NH1-O 3.48Å; R197-Q286 PolarHBondContact NH2-O 3.45Å; R197-L288 VanDerWaalsContact CZ-CG 3.49Å
198	Q	80.1	Confident	81.3	Confident	73 Å²	73	58.1 Å²	58.1	34%	0.341	28%	0.278	S	S	.	.	H	α-helix	trans	-98.3	-23.8	-168.8	-59.7	-70.1	-20.1	0	0	113.5	L194 A195 L259	L194-Q198 WeakPolarHBondContact O-CB 3.28Å; L194-Q198 VanDerWaalsContact O-CG 3.28Å; L194-Q198 WeakPolarHBondContact O-CG 3.46Å; L194-Q198 PolarHBondContact O-N 2.86Å; A195-Q198 PolarHBondContact O-N 3.4Å; Q198-L259 WeakPolarHBondContact CG-O 3.38Å
199	R	74.8	Confident	81.3	Confident	79 Å²	79	58.7 Å²	58.7	30%	0.298	28%	0.281	S	S	.	.			trans	-134.8	90.9	-170.2	-70.5	-69.3	-66.7	-96.7	-5	111.1	A195 D201 L202 L259	A195-R199 WeakPolarHBondContact O-CA 3.21Å; A195-R199 WeakPolarHBondContact O-CB 3.27Å; A195-R199 PolarHBondContact O-N 3.4Å; R199-D201 WeakPolarHBondContact CA-OD1 3.31Å; R199-D201 VanDerWaalsContact CB-OD1 3.32Å; R199-D201 WeakPolarHBondContact CB-OD1 3.4Å; R199-D201 IonicContact CZ-OD1 2.7Å; R199-D201 IonicContact CZ-OD2 3.77Å; R199-D201 IonicContact NE-OD1 2.6Å; R199-D201 PolarHBondContact NE-OD1 2.85Å; R199-D201 IonicContact NE-OD2 3.97Å; R199-D201 PolarHBondContact NE-OD2 3.25Å; R199-D201 VanDerWaalsContact NE-OD2 3.13Å; R199-D201 IonicContact NH2-OD1 3.92Å; R199-D201 IonicContact NH2-OD2 2.63Å; R199-D201 PolarHBondContact NH2-OD2 2.99Å; R199-D201 PolarHBondContact O-N 3.49Å; R199-L202 HydrophobicContact CB-CB 4.24Å; R199-L202 HydrophobicContact CB-CD1 3.59Å; R199-L202 HydrophobicContact CB-CG 3.78Å; R199-L202 HydrophobicContact CG-CD1 4.03Å; R199-L202 PolarHBondContact O-N 3.01Å; R199-L202 VanDerWaalsContact O-N 3.11Å; R199-L259 HydrophobicContact CG-CD2 4.29Å
200	K	69.4	Low	81.1	Confident	176 Å²	176	62.9 Å²	62.9	77%	0.765	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-64.3	-22.7	178.8	-65.9	-178.8	-179.2	176.7	0	112.9	L202 L203	K200-L202 VanDerWaalsContact C-N 3.28Å; K200-L202 PolarHBondContact O-N 2.68Å; K200-L203 HydrophobicContact CB-CD1 4.4Å; K200-L203 VanDerWaalsContact O-CD1 3.28Å; K200-L203 WeakPolarHBondContact O-CD1 3.21Å; K200-L203 WeakPolarHBondContact O-CG 3.26Å
201	D	71.8	Confident	81	Confident	91 Å²	91	64.1 Å²	64.1	49%	0.487	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-68.7	-21.4	173.5	58.2	-57.1	0	0	0	113.5	R199	R199-D201 WeakPolarHBondContact CA-OD1 3.31Å; R199-D201 VanDerWaalsContact CB-OD1 3.32Å; R199-D201 WeakPolarHBondContact CB-OD1 3.4Å; R199-D201 IonicContact CZ-OD1 2.7Å; R199-D201 IonicContact CZ-OD2 3.77Å; R199-D201 IonicContact NE-OD1 2.6Å; R199-D201 PolarHBondContact NE-OD1 2.85Å; R199-D201 IonicContact NE-OD2 3.97Å; R199-D201 PolarHBondContact NE-OD2 3.25Å; R199-D201 VanDerWaalsContact NE-OD2 3.13Å; R199-D201 IonicContact NH2-OD1 3.92Å; R199-D201 IonicContact NH2-OD2 2.63Å; R199-D201 PolarHBondContact NH2-OD2 2.99Å; R199-D201 PolarHBondContact O-N 3.49Å
202	L	67.1	Low	80.8	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.021	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-90.3	8.3	-178.7	-60.6	179.5	0	0	0	114.1	A195 R199 K200 H204 L212 K215 V216	A195-L202 HydrophobicContact CB-CD1 4.41Å; R199-L202 HydrophobicContact CB-CB 4.24Å; R199-L202 HydrophobicContact CB-CD1 3.59Å; R199-L202 HydrophobicContact CB-CG 3.78Å; R199-L202 HydrophobicContact CG-CD1 4.03Å; R199-L202 PolarHBondContact O-N 3.01Å; R199-L202 VanDerWaalsContact O-N 3.11Å; K200-L202 VanDerWaalsContact C-N 3.28Å; K200-L202 PolarHBondContact O-N 2.68Å; L202-H204 PolarHBondContact O-N 3.18Å; L202-H204 VanDerWaalsContact O-N 3.15Å; L202-L212 HydrophobicContact CD1-CD2 4.03Å; L202-K215 HydrophobicContact CD2-CB 3.98Å; L202-K215 HydrophobicContact CD2-CD 3.77Å; L202-V216 HydrophobicContact CD1-CG2 3.68Å
203	L	60.7	Low	80.9	Confident	90 Å²	90	62.3 Å²	62.3	47%	0.471	30%	0.301	S	S	.	.			trans	-68.4	-10.6	-174.3	-70.9	173.7	0	0	0	115.2	M196 K200	M196-L203 HydrophobicContact CB-CD2 4.47Å; M196-L203 HydrophobicContact CE-CD2 4.43Å; M196-L203 HydrophobicContact CG-CD2 4.32Å; K200-L203 HydrophobicContact CB-CD1 4.4Å; K200-L203 VanDerWaalsContact O-CD1 3.28Å; K200-L203 WeakPolarHBondContact O-CD1 3.21Å; K200-L203 WeakPolarHBondContact O-CG 3.26Å
204	H	58	Low	80.9	Confident	155 Å²	155	65 Å²	65	72%	0.718	32%	0.316	S	S	*	.	S	Bend	trans	-99.8	98.8	-179.8	-62.4	-83.7	0	0	0	112.1	L202 C206	L202-H204 PolarHBondContact O-N 3.18Å; L202-H204 VanDerWaalsContact O-N 3.15Å; H204-C206 PolarHBondContact O-N 3.33Å; H204-C206 PolarHBondContact O-SG 3.49Å; H204-C206 VanDerWaalsContact O-SG 3.36Å
205	N	60.8	Low	80.9	Confident	161 Å²	161	70.2 Å²	70.2	86%	0.861	34%	0.338	S	S	*	.	S	Bend	trans	47.8	-2.7	165.5	-68.2	-10.2	0	0	0	120	L207	N205-L207 VanDerWaalsContact C-N 3.32Å; N205-L207 PolarHBondContact O-N 3.11Å
206	C	71.6	Confident	80.9	Confident	30 Å²	30	70.8 Å²	70.8	20%	0.203	34%	0.342	C	S	.	.			trans	-95	44.1	-173.2	-69.6	0	0	0	0	112.6	H204 S211 K215	H204-C206 PolarHBondContact O-N 3.33Å; H204-C206 PolarHBondContact O-SG 3.49Å; H204-C206 VanDerWaalsContact O-SG 3.36Å; C206-S211 VanDerWaalsContact O-CB 3.26Å; C206-S211 WeakPolarHBondContact O-CB 3.38Å; C206-K215 HydrophobicContact CB-CD 4.19Å; C206-K215 PolarHBondContact SG-NZ 2.9Å
207	L	85.7	Confident	81	Confident	30 Å²	30	68.1 Å²	68.1	16%	0.157	33%	0.329	C	S	.	.			trans	-101.9	15.8	-176.2	-60.9	179.3	0	0	0	113.2	R192 A195 M196 N205 L212 F293	R192-L207 HydrophobicContact CB-CB 4.33Å; R192-L207 HydrophobicContact CB-CD1 4.48Å; R192-L207 VanDerWaalsContact CD-O 3.31Å; R192-L207 WeakPolarHBondContact CD-O 3.35Å; R192-L207 HydrophobicContact CG-CB 3.99Å; R192-L207 VanDerWaalsContact CG-O 3.25Å; R192-L207 WeakPolarHBondContact CG-O 3.49Å; A195-L207 HydrophobicContact CB-CD2 4.43Å; M196-L207 HydrophobicContact CG-CD1 4.01Å; M196-L207 HydrophobicContact CG-CD2 4.23Å; M196-L207 HydrophobicContact SD-CD1 3.74Å; N205-L207 VanDerWaalsContact C-N 3.32Å; N205-L207 PolarHBondContact O-N 3.11Å; L207-L212 HydrophobicContact CD2-CD2 4.29Å; L207-F293 HydrophobicContact CD1-CZ 3.99Å
208	S	91.3	Very high	81.2	Confident	56 Å²	56	68.6 Å²	68.6	39%	0.392	34%	0.34	S	S	.	.	S	Bend	trans	-77.4	154.3	168.3	79	0	0	0	0	110.4	K210 S211 L212	S208-K210 VanDerWaalsContact C-N 3.26Å; S208-K210 PolarHBondContact O-N 3.19Å; S208-S211 PolarHBondContact O-N 3.47Å; S208-S211 WeakPolarHBondContact OG-CB 3.48Å; S208-S211 PolarHBondContact OG-N 3.49Å; S208-S211 VanDerWaalsContact OG-N 3.14Å; S208-S211 PolarHBondContact OG-OG 2.98Å; S208-L212 WeakPolarHBondContact O-CG 3.37Å; S208-L212 PolarHBondContact O-N 3.31Å
209	L	93.4	Very high	81.6	Confident	15 Å²	15	65.7 Å²	65.7	8%	0.079	33%	0.328	C	S	.	.	H	α-helix	trans	-55.1	-43.7	178	-170	67	0	0	0	111.6	V168 L191 S211 L212 A213 L221 D248 V251 S252 L255	V168-L209 HydrophobicContact CB-CB 4.09Å; V168-L209 HydrophobicContact CB-CD1 4.36Å; V168-L209 HydrophobicContact CG2-CB 4.08Å; V168-L209 HydrophobicContact CG2-CD1 3.78Å; L191-L209 HydrophobicContact CD1-CD1 4.36Å; L209-S211 PolarHBondContact O-N 3.49Å; L209-L212 PolarHBondContact O-N 3.14Å; L209-A213 VanDerWaalsContact O-CB 3.25Å; L209-A213 WeakPolarHBondContact O-CB 3.24Å; L209-A213 PolarHBondContact O-N 3.37Å; L209-L221 HydrophobicContact CB-CD1 4.49Å; L209-L221 HydrophobicContact CD2-CD1 4.09Å; L209-L221 HydrophobicContact CG-CD1 3.88Å; L209-D248 HydrophobicContact CD2-CB 3.98Å; L209-D248 WeakPolarHBondContact CD2-OD1 3.33Å; L209-V251 HydrophobicContact CD1-CG1 4.27Å; L209-V251 HydrophobicContact CG-CG1 4.44Å; L209-S252 WeakPolarHBondContact CD1-OG 3.34Å; L209-L255 HydrophobicContact CD1-CD1 3.65Å
210	K	93.2	Very high	82.4	Confident	88 Å²	88	66 Å²	66	38%	0.383	34%	0.34	S	S	.	.	H	α-helix	trans	-55.2	-51	173.6	178.5	174.6	-179.4	174.4	0	112.2	S208 L212 A213 E214 L221 K223	S208-K210 VanDerWaalsContact C-N 3.26Å; S208-K210 PolarHBondContact O-N 3.19Å; K210-L212 VanDerWaalsContact C-N 3.34Å; K210-L212 PolarHBondContact O-N 3.24Å; K210-A213 PolarHBondContact O-N 3.21Å; K210-E214 WeakPolarHBondContact O-CB 3.39Å; K210-E214 PolarHBondContact O-N 3.49Å; K210-L221 HydrophobicContact CB-CB 4.25Å; K210-L221 WeakPolarHBondContact CD-O 3.39Å; K210-L221 VanDerWaalsContact CE-O 3.3Å; K210-L221 WeakPolarHBondContact CE-O 3.37Å; K210-L221 HydrophobicContact CG-CB 4.24Å; K210-K223 HydrophobicContact CB-CG 4.28Å; K210-K223 HydrophobicContact CD-CG 4.22Å
211	S	91.4	Very high	83.3	Confident	27 Å²	27	57.9 Å²	57.9	19%	0.189	31%	0.305	C	S	.	.	H	α-helix	trans	-65.1	-37	-178.4	-54.5	0	0	0	0	112.8	C206 S208 L209 K215	C206-S211 VanDerWaalsContact O-CB 3.26Å; C206-S211 WeakPolarHBondContact O-CB 3.38Å; S208-S211 PolarHBondContact O-N 3.47Å; S208-S211 WeakPolarHBondContact OG-CB 3.48Å; S208-S211 PolarHBondContact OG-N 3.49Å; S208-S211 VanDerWaalsContact OG-N 3.14Å; S208-S211 PolarHBondContact OG-OG 2.98Å; L209-S211 PolarHBondContact O-N 3.49Å; S211-K215 VanDerWaalsContact O-CB 3.31Å; S211-K215 WeakPolarHBondContact O-CB 3.42Å; S211-K215 WeakPolarHBondContact O-CG 3.31Å; S211-K215 PolarHBondContact O-N 3.45Å
212	L	92.4	Very high	84	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-71.5	-44.6	177.4	-68.9	173.8	0	0	0	111.1	V168 A195 L202 L207 S208 L209 K210 E214 K215 V216 L255	V168-L212 HydrophobicContact CG2-CD1 3.98Å; A195-L212 HydrophobicContact CB-CD1 4.47Å; A195-L212 HydrophobicContact CB-CD2 3.72Å; L202-L212 HydrophobicContact CD1-CD2 4.03Å; L207-L212 HydrophobicContact CD2-CD2 4.29Å; S208-L212 WeakPolarHBondContact O-CG 3.37Å; S208-L212 PolarHBondContact O-N 3.31Å; L209-L212 PolarHBondContact O-N 3.14Å; K210-L212 VanDerWaalsContact C-N 3.34Å; K210-L212 PolarHBondContact O-N 3.24Å; L212-E214 VanDerWaalsContact C-N 3.34Å; L212-E214 PolarHBondContact O-N 2.88Å; L212-K215 PolarHBondContact O-N 3.46Å; L212-V216 WeakPolarHBondContact O-CB 3.41Å; L212-V216 WeakPolarHBondContact O-CG2 3.36Å; L212-V216 PolarHBondContact O-N 2.78Å; L212-L255 HydrophobicContact CB-CD1 3.87Å; L212-L255 HydrophobicContact CB-CD2 4.12Å
213	A	93.1	Very high	84.9	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-57.4	-46.5	176.8	0	0	0	0	0	111.9	L209 K210 L217 N218 C219 L221 V251	L209-A213 VanDerWaalsContact O-CB 3.25Å; L209-A213 WeakPolarHBondContact O-CB 3.24Å; L209-A213 PolarHBondContact O-N 3.37Å; K210-A213 PolarHBondContact O-N 3.21Å; A213-L217 CarbonylContact O-C 3.55Å; A213-L217 WeakPolarHBondContact O-CA 3.43Å; A213-L217 WeakPolarHBondContact O-CB 3.28Å; A213-L217 PolarHBondContact O-N 3.11Å; A213-N218 PolarHBondContact O-N 3.12Å; A213-C219 CarbonylContact C-O 3.29Å; A213-C219 VanDerWaalsContact C-O 3.26Å; A213-C219 VanDerWaalsContact CB-O 3.25Å; A213-C219 WeakPolarHBondContact CB-O 3.36Å; A213-C219 PolarHBondContact O-N 2.95Å; A213-L221 HydrophobicContact CB-CD1 3.95Å; A213-L221 HydrophobicContact CB-CG 3.94Å; A213-V251 HydrophobicContact CB-CG1 3.55Å
214	E	91.7	Very high	86	Confident	102 Å²	102	58 Å²	58	48%	0.477	31%	0.305	S	S	.	.	H	α-helix	trans	-66.2	-50.1	178.1	-172.1	172.4	-164.6	0	0	111.7	K210 L212 N218 C219	K210-E214 WeakPolarHBondContact O-CB 3.39Å; K210-E214 PolarHBondContact O-N 3.49Å; L212-E214 VanDerWaalsContact C-N 3.34Å; L212-E214 PolarHBondContact O-N 2.88Å; E214-N218 VanDerWaalsContact O-CA 3.25Å; E214-N218 WeakPolarHBondContact O-CA 3.26Å; E214-N218 PolarHBondContact O-N 2.78Å; E214-C219 PolarHBondContact N-O 3.35Å
215	K	89.6	Confident	87.2	Confident	109 Å²	109	54.5 Å²	54.5	47%	0.474	30%	0.297	S	S	.	.	H	α-helix	trans	-79.3	-21.3	-175	-68.4	-174	172.6	-168.2	0	115.8	L202 C206 S211 L212	L202-K215 HydrophobicContact CD2-CB 3.98Å; L202-K215 HydrophobicContact CD2-CD 3.77Å; C206-K215 HydrophobicContact CB-CD 4.19Å; C206-K215 PolarHBondContact SG-NZ 2.9Å; S211-K215 VanDerWaalsContact O-CB 3.31Å; S211-K215 WeakPolarHBondContact O-CB 3.42Å; S211-K215 WeakPolarHBondContact O-CG 3.31Å; S211-K215 PolarHBondContact O-N 3.45Å; L212-K215 PolarHBondContact O-N 3.46Å
216	V	89.3	Confident	88.4	Confident	12 Å²	12	54.7 Å²	54.7	7%	0.073	29%	0.292	C	S	.	.	H	α-helix	trans	-108.8	-39.2	-175.6	-176.4	0	0	0	0	111.9	L202 L212 L255 H258 L259	L202-V216 HydrophobicContact CD1-CG2 3.68Å; L212-V216 WeakPolarHBondContact O-CB 3.41Å; L212-V216 WeakPolarHBondContact O-CG2 3.36Å; L212-V216 PolarHBondContact O-N 2.78Å; V216-L255 HydrophobicContact CB-CD2 3.76Å; V216-L255 HydrophobicContact CG1-CD2 4.01Å; V216-L255 HydrophobicContact CG2-CD2 4.33Å; V216-H258 VanDerWaalsContact CG1-CD2 3.48Å; V216-H258 WeakPolarHBondContact CG1-CD2 3.41Å; V216-L259 HydrophobicContact CG1-CD2 4.15Å; V216-L259 HydrophobicContact CG1-CG 4.48Å
217	L	89.9	Confident	89.2	Confident	11 Å²	11	54.3 Å²	54.3	6%	0.058	29%	0.289	C	S	.	.	H	α-helix	trans	-107.5	-3.5	-177.7	-53.6	-177.4	0	0	0	113.8	V73 A213 C219 V251 A254 L255 H258	V73-L217 HydrophobicContact CG1-CB 4.39Å; V73-L217 HydrophobicContact CG1-CD1 4.28Å; V73-L217 HydrophobicContact CG2-CD2 4.12Å; A213-L217 CarbonylContact O-C 3.55Å; A213-L217 WeakPolarHBondContact O-CA 3.43Å; A213-L217 WeakPolarHBondContact O-CB 3.28Å; A213-L217 PolarHBondContact O-N 3.11Å; L217-C219 HydrophobicContact CB-CB 4Å; L217-C219 PolarHBondContact O-N 3.38Å; L217-V251 HydrophobicContact CD1-CG1 4.36Å; L217-A254 HydrophobicContact CD1-CB 3.68Å; L217-L255 HydrophobicContact CD1-CD2 4.03Å; L217-L255 HydrophobicContact CD1-CG 3.84Å; L217-L255 HydrophobicContact CD2-CD2 4.34Å; L217-L255 HydrophobicContact CG-CD2 3.79Å; L217-L255 HydrophobicContact CG-CG 4.18Å; L217-H258 HydrophobicContact CD2-CB 3.6Å
218	N	89.8	Confident	89.3	Confident	131 Å²	131	58.1 Å²	58.1	70%	0.701	30%	0.301	S	S	*	.			trans	53.8	30.9	-167.6	-161.5	40.4	0	0	0	112.8	A213 E214 P220	A213-N218 PolarHBondContact O-N 3.12Å; E214-N218 VanDerWaalsContact O-CA 3.25Å; E214-N218 WeakPolarHBondContact O-CA 3.26Å; E214-N218 PolarHBondContact O-N 2.78Å; N218-P220 WeakPolarHBondContact O-CD 3.28Å
219	C	89.8	Confident	89.1	Confident	12 Å²	12	59.5 Å²	59.5	8%	0.081	31%	0.31	C	S	.	.			trans	-110	102.9	-175.9	-171.9	0	0	0	0	110.4	L77 A213 E214 L217 L221	L77-C219 VanDerWaalsContact CD1-SG 3.57Å; A213-C219 CarbonylContact C-O 3.29Å; A213-C219 VanDerWaalsContact C-O 3.26Å; A213-C219 VanDerWaalsContact CB-O 3.25Å; A213-C219 WeakPolarHBondContact CB-O 3.36Å; A213-C219 PolarHBondContact O-N 2.95Å; E214-C219 PolarHBondContact N-O 3.35Å; L217-C219 HydrophobicContact CB-CB 4Å; L217-C219 PolarHBondContact O-N 3.38Å; C219-L221 PolarHBondContact O-N 3.27Å
220	P	89.6	Confident	88.9	Confident	85 Å²	85	60.1 Å²	60.1	55%	0.552	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-69	129.9	175.9	26.7	-32.8	0	0	0	111	N218 K247	N218-P220 WeakPolarHBondContact O-CD 3.28Å; P220-K247 PolarHBondContact O-NZ 2.89Å
221	L	89.6	Confident	88.9	Confident	6 Å²	6	60 Å²	60	3%	0.031	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-98.6	125.5	168.6	-69.1	-177.7	0	0	0	109.9	L209 K210 A213 C219 K247 V251	L209-L221 HydrophobicContact CB-CD1 4.49Å; L209-L221 HydrophobicContact CD2-CD1 4.09Å; L209-L221 HydrophobicContact CG-CD1 3.88Å; K210-L221 HydrophobicContact CB-CB 4.25Å; K210-L221 WeakPolarHBondContact CD-O 3.39Å; K210-L221 VanDerWaalsContact CE-O 3.3Å; K210-L221 WeakPolarHBondContact CE-O 3.37Å; K210-L221 HydrophobicContact CG-CB 4.24Å; A213-L221 HydrophobicContact CB-CD1 3.95Å; A213-L221 HydrophobicContact CB-CG 3.94Å; C219-L221 PolarHBondContact O-N 3.27Å; L221-K247 HydrophobicContact CD2-CD 3.61Å; L221-K247 HydrophobicContact CD2-CG 3.74Å; L221-V251 HydrophobicContact CD1-CG1 4.2Å; L221-V251 HydrophobicContact CD2-CG2 3.97Å
222	D	86.1	Confident	89.1	Confident	104 Å²	104	58.8 Å²	58.8	56%	0.556	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-70.6	134.7	161.8	-171.4	10.2	0	0	0	108.6	S224 Y244	D222-S224 VanDerWaalsContact OD1-CB 3.32Å; D222-S224 WeakPolarHBondContact OD1-CB 3.39Å; D222-S224 PolarHBondContact OD1-N 2.86Å; D222-S224 WeakPolarHBondContact OD2-CB 3.07Å; D222-Y244 WeakPolarHBondContact O-CE2 3.27Å
223	K	86.2	Confident	89.1	Confident	57 Å²	57	62.4 Å²	62.4	25%	0.248	33%	0.327	C	S	.	.			trans	-129.5	30.3	175	-71	-65.9	-179.1	179.7	0	110.7	K210 Y244 D248	K210-K223 HydrophobicContact CB-CG 4.28Å; K210-K223 HydrophobicContact CD-CG 4.22Å; K223-Y244 HydrophobicContact CD-CE2 3.96Å; K223-Y244 WeakPolarHBondContact CD-OH 3.3Å; K223-Y244 PolarHBondContact NZ-OH 2.85Å; K223-Y244 VanDerWaalsContact NZ-OH 3.15Å; K223-D248 VanDerWaalsContact CE-OD1 3.25Å; K223-D248 WeakPolarHBondContact CE-OD1 3.37Å; K223-D248 IonicContact NZ-OD1 3.73Å; K223-D248 PolarHBondContact NZ-OD1 3.45Å; K223-D248 IonicContact NZ-OD2 2.82Å; K223-D248 PolarHBondContact NZ-OD2 3.06Å
224	S	84.1	Confident	89	Confident	26 Å²	26	63.5 Å²	63.5	18%	0.182	34%	0.336	C	S	.	.			trans	-45.3	124.9	174.8	178.1	0	0	0	0	111.3	D222 H226 V227 R228	D222-S224 VanDerWaalsContact OD1-CB 3.32Å; D222-S224 WeakPolarHBondContact OD1-CB 3.39Å; D222-S224 PolarHBondContact OD1-N 2.86Å; D222-S224 WeakPolarHBondContact OD2-CB 3.07Å; S224-H226 PolarHBondContact O-N 2.84Å; S224-H226 VanDerWaalsContact O-N 3.12Å; S224-H226 PolarHBondContact OG-CD2 2.95Å; S224-H226 PolarHBondContact OG-N 3.03Å; S224-V227 PolarHBondContact O-N 3.27Å; S224-R228 WeakPolarHBondContact O-CB 3.3Å; S224-R228 PolarHBondContact O-N 2.93Å
225	P	81.9	Confident	88.9	Confident	83 Å²	83	66.4 Å²	66.4	54%	0.539	35%	0.35	S	S	.	.	H	α-helix	trans	-56.3	-25.9	174.4	-25.9	35.2	0	0	0	113.3	V227 C229	P225-V227 VanDerWaalsContact C-N 3.31Å; P225-V227 PolarHBondContact O-N 3.11Å; P225-C229 WeakPolarHBondContact O-CB 3Å; P225-C229 PolarHBondContact O-N 3.39Å
226	H	86.7	Confident	89.1	Confident	164 Å²	164	69 Å²	69	76%	0.759	36%	0.364	S	S	*	.	H	α-helix	trans	-62.4	-34.8	179.2	-65.1	-75.7	0	0	0	113.1	S224 S230	S224-H226 PolarHBondContact O-N 2.84Å; S224-H226 VanDerWaalsContact O-N 3.12Å; S224-H226 PolarHBondContact OG-CD2 2.95Å; S224-H226 PolarHBondContact OG-N 3.03Å; H226-S230 WeakPolarHBondContact O-CB 2.97Å
227	V	88.1	Confident	89.3	Confident	22 Å²	22	69.6 Å²	69.6	13%	0.133	37%	0.367	C	S	.	.	H	α-helix	trans	-94	-46.1	176.2	-172.5	0	0	0	0	110.6	S224 P225 C229 S230 W232 D240 Q241 Y244	S224-V227 PolarHBondContact O-N 3.27Å; P225-V227 VanDerWaalsContact C-N 3.31Å; P225-V227 PolarHBondContact O-N 3.11Å; V227-C229 PolarHBondContact O-N 3.5Å; V227-S230 WeakPolarHBondContact O-CB 3.48Å; V227-S230 PolarHBondContact O-N 2.81Å; V227-S230 PolarHBondContact O-OG 3.27Å; V227-W232 HydrophobicContact CG1-CH2 4.25Å; V227-W232 HydrophobicContact CG1-CZ2 4.33Å; V227-W232 WeakPolarHBondContact O-CZ2 3.12Å; V227-D240 HydrophobicContact CG2-CB 4.45Å; V227-Q241 HydrophobicContact CG1-CG 4.24Å; V227-Y244 HydrophobicContact CB-CD2 4.25Å; V227-Y244 HydrophobicContact CB-CG 4.38Å; V227-Y244 HydrophobicContact CG1-CD1 4.03Å; V227-Y244 HydrophobicContact CG1-CD2 3.99Å; V227-Y244 HydrophobicContact CG1-CG 3.63Å
228	R	88.2	Confident	89.6	Confident	110 Å²	110	72.8 Å²	72.8	42%	0.415	39%	0.386	S	S	.	.	H	α-helix	trans	-62.3	-26.4	-178.6	-169.3	-172	61.6	65.2	6.8	113.9	S224 Y244	S224-R228 WeakPolarHBondContact O-CB 3.3Å; S224-R228 PolarHBondContact O-N 2.93Å; R228-Y244 WeakPolarHBondContact CG-OH 3.4Å
229	C	86.2	Confident	89.9	Confident	85 Å²	85	72.4 Å²	72.4	57%	0.574	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	25.3	174.2	-63.9	0	0	0	0	112.3	P225 V227	P225-C229 WeakPolarHBondContact O-CB 3Å; P225-C229 PolarHBondContact O-N 3.39Å; V227-C229 PolarHBondContact O-N 3.5Å
230	S	91	Very high	90.2	Very high	28 Å²	28	77.1 Å²	77.1	20%	0.196	41%	0.405	C	S	.	.	S	Bend	trans	-71.5	172.7	173.3	67.3	0	0	0	0	112.2	H226 V227 W232 Q241	H226-S230 WeakPolarHBondContact O-CB 2.97Å; V227-S230 WeakPolarHBondContact O-CB 3.48Å; V227-S230 PolarHBondContact O-N 2.81Å; V227-S230 PolarHBondContact O-OG 3.27Å; S230-W232 PolarHBondContact O-N 3.3Å; S230-W232 VanDerWaalsContact O-N 3.12Å; S230-Q241 PolarHBondContact OG-NE2 2.81Å
231	N	92.4	Very high	90.5	Very high	87 Å²	87	73.5 Å²	73.5	47%	0.465	38%	0.381	S	S	.	.			trans	-78.1	92.7	173.6	-175.5	10.2	0	0	0	111	E233 A234 Q241	N231-E233 PolarHBondContact O-N 2.82Å; N231-E233 WeakPolarHBondContact OD1-CA 3.18Å; N231-E233 WeakPolarHBondContact OD1-CB 3.37Å; N231-E233 PolarHBondContact OD1-N 3.41Å; N231-A234 HydrophobicContact CB-CB 4.28Å; N231-A234 VanDerWaalsContact O-CB 3.28Å; N231-A234 WeakPolarHBondContact O-CB 3.25Å; N231-A234 PolarHBondContact O-N 2.96Å; N231-A234 PolarHBondContact OD1-N 2.87Å; N231-Q241 PolarHBondContact O-NE2 2.64Å
232	W	95.3	Very high	90.9	Very high	1 Å²	1	73.8 Å²	73.8	0%	0.004	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-12.1	174.2	-65	115.7	0	0	0	114.1	E112 V114 L125 R139 V227 S230 L237 Q241 Y244 A245	E112-W232 HydrophobicContact CB-CD2 3.73Å; E112-W232 HydrophobicContact CB-CE3 4.25Å; E112-W232 HydrophobicContact CB-CG 3.9Å; E112-W232 HydrophobicContact CB-CZ2 4.2Å; E112-W232 HydrophobicContact CG-CD2 4.19Å; E112-W232 HydrophobicContact CG-CH2 4.21Å; E112-W232 HydrophobicContact CG-CZ2 3.69Å; E112-W232 PolarHBondContact OE2-NE1 3.14Å; V114-W232 HydrophobicContact CG2-CB 4.23Å; L125-W232 HydrophobicContact CD2-CE3 4.24Å; L125-W232 HydrophobicContact CD2-CZ3 4.14Å; R139-W232 PolarHBondContact NH2-O 3.1Å; V227-W232 HydrophobicContact CG1-CH2 4.25Å; V227-W232 HydrophobicContact CG1-CZ2 4.33Å; V227-W232 WeakPolarHBondContact O-CZ2 3.12Å; S230-W232 PolarHBondContact O-N 3.3Å; S230-W232 VanDerWaalsContact O-N 3.12Å; W232-L237 HydrophobicContact CE3-CD2 4.27Å; W232-Q241 HydrophobicContact CE3-CB 4.32Å; W232-Q241 HydrophobicContact CE3-CG 4.29Å; W232-Q241 HydrophobicContact CH2-CB 3.97Å; W232-Q241 HydrophobicContact CH2-CG 4.08Å; W232-Q241 HydrophobicContact CZ3-CB 3.57Å; W232-Q241 HydrophobicContact CZ3-CG 3.86Å; W232-Y244 AromaticContact CH2-CD1 3.74Å; W232-Y244 HydrophobicContact CH2-CD1 3.74Å; W232-Y244 HydrophobicContact CH2-CE1 4.29Å; W232-Y244 AromaticContact CZ2-CD1 3.9Å; W232-Y244 HydrophobicContact CZ2-CD1 3.9Å; W232-Y244 HydrophobicContact CZ2-CE1 4.01Å; W232-A245 HydrophobicContact CH2-CB 4.17Å; W232-A245 HydrophobicContact CZ3-CB 4.16Å
233	E	92.2	Very high	91.4	Very high	75 Å²	75	72.8 Å²	72.8	35%	0.35	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	3.2	175.4	-68.7	167.1	-178.7	0	0	112.5	V114 N121 S124 N231	V114-E233 HydrophobicContact CB-CG 4.39Å; V114-E233 HydrophobicContact CG2-CB 3.99Å; V114-E233 HydrophobicContact CG2-CG 3.69Å; N121-E233 WeakPolarHBondContact CB-OE1 3.38Å; N121-E233 PolarHBondContact ND2-OE1 3.32Å; N121-E233 PolarHBondContact ND2-OE2 3.04Å; S124-E233 VanDerWaalsContact OG-CG 3.29Å; S124-E233 WeakPolarHBondContact OG-CG 3.42Å; S124-E233 PolarHBondContact OG-OE1 3.26Å; S124-E233 VanDerWaalsContact OG-OE1 3.09Å; N231-E233 PolarHBondContact O-N 2.82Å; N231-E233 WeakPolarHBondContact OD1-CA 3.18Å; N231-E233 WeakPolarHBondContact OD1-CB 3.37Å; N231-E233 PolarHBondContact OD1-N 3.41Å
234	A	91.7	Very high	91.8	Very high	24 Å²	24	71.1 Å²	71.1	20%	0.198	37%	0.369	C	S	.	.	S	Bend	trans	-55.7	145.4	177.6	0	0	0	0	0	112.5	R139 N231 E236	R139-A234 PolarHBondContact NH1-O 3.37Å; R139-A234 PolarHBondContact NH2-O 3.24Å; N231-A234 HydrophobicContact CB-CB 4.28Å; N231-A234 VanDerWaalsContact O-CB 3.28Å; N231-A234 WeakPolarHBondContact O-CB 3.25Å; N231-A234 PolarHBondContact O-N 2.96Å; N231-A234 PolarHBondContact OD1-N 2.87Å; A234-E236 VanDerWaalsContact C-N 3.26Å; A234-E236 WeakPolarHBondContact CB-O 2.76Å; A234-E236 PolarHBondContact O-N 3.27Å
235	E	90.3	Very high	92.4	Very high	162 Å²	162	69.9 Å²	69.9	76%	0.757	36%	0.36	S	S	*	.	S	Bend	trans	-53.6	-44.6	-175.6	-176.7	169	-166.6	0	0	112.4	R139 R142	R139-E235 PolarHBondContact NH1-O 3.23Å; R142-E235 PolarHBondContact NH1-O 3.44Å; R142-E235 VanDerWaalsContact NH1-O 3.16Å
236	E	92.4	Very high	93.2	Very high	164 Å²	164	65.9 Å²	65.9	77%	0.766	33%	0.334	S	S	*	.	S	Bend	trans	-116	145.7	168.7	-59.7	-172.9	157.2	0	0	110.1	A234	A234-E236 VanDerWaalsContact C-N 3.26Å; A234-E236 WeakPolarHBondContact CB-O 2.76Å; A234-E236 PolarHBondContact O-N 3.27Å
237	L	94.9	Very high	93.6	Very high	25 Å²	25	61.3 Å²	61.3	13%	0.131	31%	0.312	C	S	.	.			trans	-90	138.4	172.6	-63.7	177.4	0	0	0	109.6	L125 W232 Q241 V242	L125-L237 HydrophobicContact CD1-CD1 4.09Å; L125-L237 HydrophobicContact CD2-CD1 4.31Å; W232-L237 HydrophobicContact CE3-CD2 4.27Å; L237-Q241 HydrophobicContact CB-CB 4.38Å; L237-V242 HydrophobicContact CB-CG2 3.85Å; L237-V242 HydrophobicContact CD1-CG2 4.49Å
238	T	96.1	Very high	94	Very high	77 Å²	77	60.3 Å²	60.3	47%	0.472	31%	0.306	S	S	.	.			trans	-69.5	156.5	174.8	73.3	0	0	0	0	111	D240 Q241 V242	T238-D240 PolarHBondContact O-N 2.91Å; T238-Q241 WeakPolarHBondContact O-CB 3.11Å; T238-Q241 PolarHBondContact O-N 3.19Å; T238-Q241 VanDerWaalsContact O-N 3.08Å; T238-Q241 WeakPolarHBondContact OG1-CG 3.24Å; T238-Q241 PolarHBondContact OG1-N 3.25Å; T238-V242 WeakPolarHBondContact O-CG2 3.14Å; T238-V242 PolarHBondContact O-N 3.29Å
239	Q	96.3	Very high	94.5	Very high	124 Å²	124	55.1 Å²	55.1	58%	0.579	29%	0.287	S	S	*	.	H	α-helix	trans	-56.8	-35.7	175.7	-170.1	62.2	29.9	0	0	112	V242 L243	Q239-V242 PolarHBondContact O-N 3.21Å; Q239-L243 HydrophobicContact CG-CD1 3.96Å; Q239-L243 HydrophobicContact CG-CG 4.33Å; Q239-L243 WeakPolarHBondContact O-CB 3.31Å; Q239-L243 VanDerWaalsContact O-CG 3.27Å; Q239-L243 WeakPolarHBondContact O-CG 3.11Å; Q239-L243 PolarHBondContact O-N 3.07Å
240	D	94.8	Very high	95	Very high	110 Å²	110	51.2 Å²	51.2	59%	0.588	26%	0.26	S	S	*	.	H	α-helix	trans	-66.9	-41.4	176.9	-63.3	-24.8	0	0	0	112	V227 T238 Y244	V227-D240 HydrophobicContact CG2-CB 4.45Å; T238-D240 PolarHBondContact O-N 2.91Å; D240-Y244 WeakPolarHBondContact O-CB 3.17Å; D240-Y244 PolarHBondContact O-N 3Å
241	Q	96.2	Very high	95.3	Very high	10 Å²	10	49.9 Å²	49.9	5%	0.047	25%	0.251	C	S	.	.	H	α-helix	trans	-60.7	-46.3	173	-79.7	177.1	-48.4	0	0	111.4	V227 S230 N231 W232 L237 T238 A245	V227-Q241 HydrophobicContact CG1-CG 4.24Å; S230-Q241 PolarHBondContact OG-NE2 2.81Å; N231-Q241 PolarHBondContact O-NE2 2.64Å; W232-Q241 HydrophobicContact CE3-CB 4.32Å; W232-Q241 HydrophobicContact CE3-CG 4.29Å; W232-Q241 HydrophobicContact CH2-CB 3.97Å; W232-Q241 HydrophobicContact CH2-CG 4.08Å; W232-Q241 HydrophobicContact CZ3-CB 3.57Å; W232-Q241 HydrophobicContact CZ3-CG 3.86Å; L237-Q241 HydrophobicContact CB-CB 4.38Å; T238-Q241 WeakPolarHBondContact O-CB 3.11Å; T238-Q241 PolarHBondContact O-N 3.19Å; T238-Q241 VanDerWaalsContact O-N 3.08Å; T238-Q241 WeakPolarHBondContact OG1-CG 3.24Å; T238-Q241 PolarHBondContact OG1-N 3.25Å; Q241-A245 VanDerWaalsContact O-CB 3.22Å; Q241-A245 WeakPolarHBondContact O-CB 3.3Å; Q241-A245 PolarHBondContact O-N 3.27Å
242	V	97.3	Very high	95.6	Very high	11 Å²	11	45.8 Å²	45.8	7%	0.067	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-49.8	179.6	170.1	0	0	0	0	111.1	I81 I83 L137 L237 T238 Q239 A246	I81-V242 HydrophobicContact CG2-CG1 3.87Å; I83-V242 HydrophobicContact CD1-CG1 4.4Å; I83-V242 HydrophobicContact CD1-CG2 3.66Å; L137-V242 HydrophobicContact CD1-CB 4.39Å; L137-V242 HydrophobicContact CD1-CG1 3.88Å; L237-V242 HydrophobicContact CB-CG2 3.85Å; L237-V242 HydrophobicContact CD1-CG2 4.49Å; T238-V242 WeakPolarHBondContact O-CG2 3.14Å; T238-V242 PolarHBondContact O-N 3.29Å; Q239-V242 PolarHBondContact O-N 3.21Å; V242-A246 WeakPolarHBondContact O-CB 3.47Å; V242-A246 PolarHBondContact O-N 3.07Å
243	L	96.2	Very high	95.6	Very high	83 Å²	83	45.8 Å²	45.8	44%	0.435	23%	0.229	S	C	.	.	H	α-helix	trans	-66.3	-43.1	179.7	-70.9	173.9	0	0	0	112	I81 Q239 K247	I81-L243 HydrophobicContact CD1-CD2 3.94Å; Q239-L243 HydrophobicContact CG-CD1 3.96Å; Q239-L243 HydrophobicContact CG-CG 4.33Å; Q239-L243 WeakPolarHBondContact O-CB 3.31Å; Q239-L243 VanDerWaalsContact O-CG 3.27Å; Q239-L243 WeakPolarHBondContact O-CG 3.11Å; Q239-L243 PolarHBondContact O-N 3.07Å; L243-K247 WeakPolarHBondContact O-CB 3.28Å; L243-K247 PolarHBondContact O-N 3.29Å
244	Y	96.1	Very high	95.7	Very high	22 Å²	22	42.3 Å²	42.3	9%	0.086	21%	0.213	C	C	.	.	H	α-helix	trans	-57.4	-53.2	175.6	171.7	-81.6	0	0	0	111	E112 D222 K223 V227 R228 W232 D240 A246 K247 D248	E112-Y244 VanDerWaalsContact OE1-CE1 3.3Å; E112-Y244 WeakPolarHBondContact OE1-CE1 3.34Å; D222-Y244 WeakPolarHBondContact O-CE2 3.27Å; K223-Y244 HydrophobicContact CD-CE2 3.96Å; K223-Y244 WeakPolarHBondContact CD-OH 3.3Å; K223-Y244 PolarHBondContact NZ-OH 2.85Å; K223-Y244 VanDerWaalsContact NZ-OH 3.15Å; V227-Y244 HydrophobicContact CB-CD2 4.25Å; V227-Y244 HydrophobicContact CB-CG 4.38Å; V227-Y244 HydrophobicContact CG1-CD1 4.03Å; V227-Y244 HydrophobicContact CG1-CD2 3.99Å; V227-Y244 HydrophobicContact CG1-CG 3.63Å; R228-Y244 WeakPolarHBondContact CG-OH 3.4Å; W232-Y244 AromaticContact CH2-CD1 3.74Å; W232-Y244 HydrophobicContact CH2-CD1 3.74Å; W232-Y244 HydrophobicContact CH2-CE1 4.29Å; W232-Y244 AromaticContact CZ2-CD1 3.9Å; W232-Y244 HydrophobicContact CZ2-CD1 3.9Å; W232-Y244 HydrophobicContact CZ2-CE1 4.01Å; D240-Y244 WeakPolarHBondContact O-CB 3.17Å; D240-Y244 PolarHBondContact O-N 3Å; Y244-A246 PolarHBondContact O-N 3.08Å; Y244-K247 PolarHBondContact O-N 2.74Å; Y244-D248 WeakPolarHBondContact CE1-OD2 3.32Å; Y244-D248 PolarHBondContact O-N 2.62Å
245	A	96.6	Very high	95.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.3	-43.7	-176.5	0	0	0	0	0	112.2	L125 Q127 L137 W232 Q241	L125-A245 HydrophobicContact CD2-CB 3.73Å; Q127-A245 HydrophobicContact CG-CB 3.96Å; L137-A245 HydrophobicContact CD2-CB 4.17Å; W232-A245 HydrophobicContact CH2-CB 4.17Å; W232-A245 HydrophobicContact CZ3-CB 4.16Å; Q241-A245 VanDerWaalsContact O-CB 3.22Å; Q241-A245 WeakPolarHBondContact O-CB 3.3Å; Q241-A245 PolarHBondContact O-N 3.27Å
246	A	97.7	Very high	96.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.9	-42	177.1	0	0	0	0	0	112.2	I81 C135 L137 V242 Y244 D248 A249 Q250	I81-A246 HydrophobicContact CB-CB 4.49Å; I81-A246 HydrophobicContact CD1-CB 3.45Å; I81-A246 VanDerWaalsContact CD1-CB 3.45Å; I81-A246 HydrophobicContact CG1-CB 3.7Å; I81-A246 HydrophobicContact CG2-CB 3.96Å; C135-A246 HydrophobicContact CB-CB 4.14Å; L137-A246 HydrophobicContact CD2-CB 4.33Å; V242-A246 WeakPolarHBondContact O-CB 3.47Å; V242-A246 PolarHBondContact O-N 3.07Å; Y244-A246 PolarHBondContact O-N 3.08Å; A246-D248 VanDerWaalsContact C-N 3.31Å; A246-D248 PolarHBondContact O-N 3.29Å; A246-A249 PolarHBondContact O-N 2.96Å; A246-Q250 WeakPolarHBondContact O-CB 3.39Å; A246-Q250 VanDerWaalsContact O-CG 3.29Å; A246-Q250 WeakPolarHBondContact O-CG 3.43Å; A246-Q250 PolarHBondContact O-N 3.47Å
247	K	96.7	Very high	96.1	Very high	67 Å²	67	25.8 Å²	25.8	29%	0.291	13%	0.132	S	C	.	.	H	α-helix	trans	-61.8	-37	-176.8	-163.9	-179.7	-172	-173	0	112.2	L77 P220 L221 L243 Y244 V251	L77-K247 HydrophobicContact CD2-CG 4.1Å; P220-K247 PolarHBondContact O-NZ 2.89Å; L221-K247 HydrophobicContact CD2-CD 3.61Å; L221-K247 HydrophobicContact CD2-CG 3.74Å; L243-K247 WeakPolarHBondContact O-CB 3.28Å; L243-K247 PolarHBondContact O-N 3.29Å; Y244-K247 PolarHBondContact O-N 2.74Å; K247-V251 HydrophobicContact CG-CG2 4.22Å; K247-V251 WeakPolarHBondContact O-CB 3.3Å; K247-V251 VanDerWaalsContact O-CG2 3.28Å; K247-V251 WeakPolarHBondContact O-CG2 3.24Å; K247-V251 PolarHBondContact O-N 3.23Å
248	D	95.9	Very high	96	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.011	14%	0.138	C	C	.	.	H	α-helix	trans	-65.7	-43.2	178.2	-78.5	-46.5	0	0	0	113.1	D110 L209 K223 Y244 A246 S252	D110-D248 VanDerWaalsContact OD2-CB 3.3Å; D110-D248 WeakPolarHBondContact OD2-CB 3.21Å; L209-D248 HydrophobicContact CD2-CB 3.98Å; L209-D248 WeakPolarHBondContact CD2-OD1 3.33Å; K223-D248 VanDerWaalsContact CE-OD1 3.25Å; K223-D248 WeakPolarHBondContact CE-OD1 3.37Å; K223-D248 IonicContact NZ-OD1 3.73Å; K223-D248 PolarHBondContact NZ-OD1 3.45Å; K223-D248 IonicContact NZ-OD2 2.82Å; K223-D248 PolarHBondContact NZ-OD2 3.06Å; Y244-D248 WeakPolarHBondContact CE1-OD2 3.32Å; Y244-D248 PolarHBondContact O-N 2.62Å; A246-D248 VanDerWaalsContact C-N 3.31Å; A246-D248 PolarHBondContact O-N 3.29Å; D248-S252 WeakPolarHBondContact O-CB 3.44Å; D248-S252 PolarHBondContact O-N 3.15Å; D248-S252 PolarHBondContact O-OG 3.45Å
249	A	97.7	Very high	95.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-68.5	-44.1	174.7	0	0	0	0	0	111.9	Q127 A129 A246 S252 V253	Q127-A249 HydrophobicContact CB-CB 3.83Å; A129-A249 VanDerWaalsContact CB-C 3.45Å; A129-A249 HydrophobicContact CB-CB 3.74Å; A246-A249 PolarHBondContact O-N 2.96Å; A249-S252 WeakPolarHBondContact O-CB 3.07Å; A249-S252 PolarHBondContact O-N 3.35Å; A249-V253 PolarHBondContact O-N 3.23Å; A249-V253 VanDerWaalsContact O-N 3.16Å
250	Q	97.9	Very high	95.3	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.019	9%	0.091	C	C	.	.	H	α-helix	trans	-62.6	-43.4	177.6	-74	171.6	-27	0	0	112.3	I76 L77 A79 A129 G133 C135 A246 S252 V253 A254	I76-Q250 HydrophobicContact CG2-CB 4.05Å; I76-Q250 WeakPolarHBondContact CG2-O 3.46Å; I76-Q250 PolarHBondContact O-NE2 3.21Å; L77-Q250 HydrophobicContact CD2-CB 3.89Å; A79-Q250 PolarHBondContact O-NE2 3.06Å; A129-Q250 HydrophobicContact CB-CB 4.42Å; A129-Q250 HydrophobicContact CB-CG 3.92Å; G133-Q250 WeakPolarHBondContact O-CG 3.2Å; G133-Q250 PolarHBondContact O-NE2 3.3Å; C135-Q250 HydrophobicContact CB-CG 4.07Å; A246-Q250 WeakPolarHBondContact O-CB 3.39Å; A246-Q250 VanDerWaalsContact O-CG 3.29Å; A246-Q250 WeakPolarHBondContact O-CG 3.43Å; A246-Q250 PolarHBondContact O-N 3.47Å; Q250-S252 VanDerWaalsContact C-N 3.3Å; Q250-S252 PolarHBondContact O-N 2.91Å; Q250-V253 VanDerWaalsContact O-CG1 3.25Å; Q250-V253 WeakPolarHBondContact O-CG1 3.5Å; Q250-V253 PolarHBondContact O-N 3Å; Q250-A254 WeakPolarHBondContact O-CB 3.09Å; Q250-A254 PolarHBondContact O-N 3.34Å
251	V	97.1	Very high	94.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.8	-35.5	174	164.4	0	0	0	0	111.3	L77 L209 A213 L217 L221 K247 A254 L255	L77-V251 HydrophobicContact CD2-CG2 3.61Å; L209-V251 HydrophobicContact CD1-CG1 4.27Å; L209-V251 HydrophobicContact CG-CG1 4.44Å; A213-V251 HydrophobicContact CB-CG1 3.55Å; L217-V251 HydrophobicContact CD1-CG1 4.36Å; L221-V251 HydrophobicContact CD1-CG1 4.2Å; L221-V251 HydrophobicContact CD2-CG2 3.97Å; K247-V251 HydrophobicContact CG-CG2 4.22Å; K247-V251 WeakPolarHBondContact O-CB 3.3Å; K247-V251 VanDerWaalsContact O-CG2 3.28Å; K247-V251 WeakPolarHBondContact O-CG2 3.24Å; K247-V251 PolarHBondContact O-N 3.23Å; V251-A254 PolarHBondContact O-N 2.62Å; V251-L255 HydrophobicContact CG1-CD1 3.82Å; V251-L255 HydrophobicContact CG1-CG 4.15Å; V251-L255 VanDerWaalsContact O-CB 3.3Å; V251-L255 WeakPolarHBondContact O-CB 3.42Å; V251-L255 WeakPolarHBondContact O-CG 3.48Å; V251-L255 PolarHBondContact O-N 2.38Å
252	S	97.4	Very high	93.8	Very high	1 Å²	1	16 Å²	16	1%	0.007	9%	0.092	C	C	.	.	H	α-helix	trans	-62	-44.4	177	-66.6	0	0	0	0	112.4	L191 L209 D248 A249 Q250 F256	L191-S252 WeakPolarHBondContact CD1-O 3.23Å; L209-S252 WeakPolarHBondContact CD1-OG 3.34Å; D248-S252 WeakPolarHBondContact O-CB 3.44Å; D248-S252 PolarHBondContact O-N 3.15Å; D248-S252 PolarHBondContact O-OG 3.45Å; A249-S252 WeakPolarHBondContact O-CB 3.07Å; A249-S252 PolarHBondContact O-N 3.35Å; Q250-S252 VanDerWaalsContact C-N 3.3Å; Q250-S252 PolarHBondContact O-N 2.91Å; S252-F256 PolarHBondContact O-N 2.6Å; S252-F256 VanDerWaalsContact O-N 3.08Å
253	V	96	Very high	91.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-72.8	-34.7	175.4	67.5	0	0	0	0	112.6	I76 V106 A129 V166 A249 Q250 F256 L257	I76-V253 HydrophobicContact CG2-CG1 4.25Å; V106-V253 HydrophobicContact CG1-CG2 3.96Å; V106-V253 HydrophobicContact CG2-CG2 4.32Å; A129-V253 HydrophobicContact CB-CG1 4.12Å; V166-V253 HydrophobicContact CG2-CB 4.47Å; A249-V253 PolarHBondContact O-N 3.23Å; A249-V253 VanDerWaalsContact O-N 3.16Å; Q250-V253 VanDerWaalsContact O-CG1 3.25Å; Q250-V253 WeakPolarHBondContact O-CG1 3.5Å; Q250-V253 PolarHBondContact O-N 3Å; V253-F256 WeakPolarHBondContact O-CB 3.33Å; V253-F256 PolarHBondContact O-N 2.97Å; V253-L257 HydrophobicContact CG2-CD1 4.38Å; V253-L257 WeakPolarHBondContact O-CG 3.3Å; V253-L257 PolarHBondContact O-N 3.45Å
254	A	95.4	Very high	89.6	Confident	3 Å²	3	16.5 Å²	16.5	3%	0.025	10%	0.103	C	C	.	.	H	α-helix	trans	-62.7	-43.9	173	0	0	0	0	0	112.3	I76 L217 Q250 V251 L257 H258	I76-A254 HydrophobicContact CD1-CB 4.19Å; I76-A254 HydrophobicContact CG2-CB 4.16Å; L217-A254 HydrophobicContact CD1-CB 3.68Å; Q250-A254 WeakPolarHBondContact O-CB 3.09Å; Q250-A254 PolarHBondContact O-N 3.34Å; V251-A254 PolarHBondContact O-N 2.62Å; A254-L257 PolarHBondContact O-N 2.68Å; A254-H258 WeakPolarHBondContact O-CB 3.39Å; A254-H258 PolarHBondContact O-N 3.13Å
255	L	94.9	Very high	87.3	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.9	-45.5	174.8	-83	170.6	0	0	0	111.4	L191 L209 L212 V216 L217 V251 H258 L259	L191-L255 HydrophobicContact CD1-CB 4.03Å; L191-L255 HydrophobicContact CD1-CD1 4.22Å; L209-L255 HydrophobicContact CD1-CD1 3.65Å; L212-L255 HydrophobicContact CB-CD1 3.87Å; L212-L255 HydrophobicContact CB-CD2 4.12Å; V216-L255 HydrophobicContact CB-CD2 3.76Å; V216-L255 HydrophobicContact CG1-CD2 4.01Å; V216-L255 HydrophobicContact CG2-CD2 4.33Å; L217-L255 HydrophobicContact CD1-CD2 4.03Å; L217-L255 HydrophobicContact CD1-CG 3.84Å; L217-L255 HydrophobicContact CD2-CD2 4.34Å; L217-L255 HydrophobicContact CG-CD2 3.79Å; L217-L255 HydrophobicContact CG-CG 4.18Å; V251-L255 HydrophobicContact CG1-CD1 3.82Å; V251-L255 HydrophobicContact CG1-CG 4.15Å; V251-L255 VanDerWaalsContact O-CB 3.3Å; V251-L255 WeakPolarHBondContact O-CB 3.42Å; V251-L255 WeakPolarHBondContact O-CG 3.48Å; V251-L255 PolarHBondContact O-N 2.38Å; L255-H258 PolarHBondContact O-N 3.47Å; L255-L259 VanDerWaalsContact O-CB 3.31Å; L255-L259 WeakPolarHBondContact O-CB 3.24Å; L255-L259 VanDerWaalsContact O-CG 3.24Å; L255-L259 WeakPolarHBondContact O-CG 3.45Å; L255-L259 PolarHBondContact O-N 2.96Å
256	F	95.4	Very high	84.8	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-55.9	-52.8	176.8	-177.9	-101.7	0	0	0	111.9	V106 L164 V166 V189 L191 L194 S252 V253 H258 L260 W278 V281	V106-F256 HydrophobicContact CB-CE1 4.39Å; V106-F256 HydrophobicContact CG2-CD1 3.86Å; V106-F256 HydrophobicContact CG2-CE1 3.87Å; V106-F256 HydrophobicContact CG2-CG 4.45Å; V106-F256 HydrophobicContact CG2-CZ 4.46Å; L164-F256 HydrophobicContact CD1-CE2 4.32Å; L164-F256 HydrophobicContact CD1-CZ 3.73Å; V166-F256 HydrophobicContact CB-CB 4.32Å; V166-F256 HydrophobicContact CB-CD2 4.03Å; V166-F256 HydrophobicContact CB-CG 4.28Å; V166-F256 HydrophobicContact CG1-CB 4.48Å; V166-F256 HydrophobicContact CG1-CD1 4.47Å; V166-F256 HydrophobicContact CG1-CD2 3.52Å; V166-F256 HydrophobicContact CG1-CE2 3.7Å; V166-F256 HydrophobicContact CG1-CG 3.92Å; V166-F256 HydrophobicContact CG1-CZ 4.26Å; V166-F256 HydrophobicContact CG2-CB 3.85Å; V166-F256 HydrophobicContact CG2-CD2 4.4Å; V166-F256 HydrophobicContact CG2-CG 4.14Å; V189-F256 HydrophobicContact CG1-CE2 4.46Å; L191-F256 HydrophobicContact CD2-CB 3.8Å; L191-F256 HydrophobicContact CD2-CD2 4.05Å; L191-F256 HydrophobicContact CD2-CG 4.45Å; L194-F256 HydrophobicContact CD1-CD2 3.51Å; L194-F256 HydrophobicContact CD1-CE2 3.66Å; S252-F256 PolarHBondContact O-N 2.6Å; S252-F256 VanDerWaalsContact O-N 3.08Å; V253-F256 WeakPolarHBondContact O-CB 3.33Å; V253-F256 PolarHBondContact O-N 2.97Å; F256-H258 PolarHBondContact O-N 2.9Å; F256-L260 HydrophobicContact CD1-CD1 3.92Å; F256-L260 HydrophobicContact CD2-CD1 3.96Å; F256-L260 HydrophobicContact CE1-CD1 3.54Å; F256-L260 HydrophobicContact CE2-CD1 3.6Å; F256-L260 HydrophobicContact CG-CD1 4.12Å; F256-L260 HydrophobicContact CZ-CD1 3.37Å; F256-L260 WeakPolarHBondContact O-CB 3.39Å; F256-L260 VanDerWaalsContact O-CG 3.27Å; F256-L260 WeakPolarHBondContact O-CG 3.3Å; F256-L260 PolarHBondContact O-N 3.43Å; F256-W278 HydrophobicContact CE1-CH2 4.25Å; F256-W278 HydrophobicContact CE1-CZ3 4.24Å; F256-W278 HydrophobicContact CZ-CH2 4.48Å; F256-V281 HydrophobicContact CE1-CG1 3.85Å; F256-V281 HydrophobicContact CZ-CG1 3.55Å
257	L	92.1	Very high	82.2	Confident	3 Å²	3	28.3 Å²	28.3	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-41.5	-179.8	-68.2	173.1	0	0	0	111.7	I76 W104 V253 A254 G261 F262	I76-L257 HydrophobicContact CD1-CD1 4.17Å; W104-L257 HydrophobicContact CE3-CD2 4.37Å; V253-L257 HydrophobicContact CG2-CD1 4.38Å; V253-L257 WeakPolarHBondContact O-CG 3.3Å; V253-L257 PolarHBondContact O-N 3.45Å; A254-L257 PolarHBondContact O-N 2.68Å; L257-G261 PolarHBondContact O-N 2.89Å; L257-F262 HydrophobicContact CD2-CB 4.21Å; L257-F262 PolarHBondContact O-N 3.31Å
258	H	91.3	Very high	79.6	Confident	54 Å²	54	30.7 Å²	30.7	25%	0.25	21%	0.206	C	C	.	.	H	α-helix	trans	-66.8	-50.1	179.2	-170.9	113.5	0	0	0	112.2	V216 L217 A254 L255 F256 L260 G261	V216-H258 VanDerWaalsContact CG1-CD2 3.48Å; V216-H258 WeakPolarHBondContact CG1-CD2 3.41Å; L217-H258 HydrophobicContact CD2-CB 3.6Å; A254-H258 WeakPolarHBondContact O-CB 3.39Å; A254-H258 PolarHBondContact O-N 3.13Å; L255-H258 PolarHBondContact O-N 3.47Å; F256-H258 PolarHBondContact O-N 2.9Å; H258-L260 PolarHBondContact O-N 3.32Å; H258-L260 VanDerWaalsContact O-N 3.14Å; H258-G261 PolarHBondContact O-N 3.09Å
259	L	90.4	Very high	77	Confident	9 Å²	9	33.5 Å²	33.5	5%	0.047	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-26.8	179.8	-73.3	171.1	0	0	0	112.9	L194 A195 Q198 R199 V216 L255	L194-L259 HydrophobicContact CB-CD1 4.14Å; A195-L259 HydrophobicContact CB-CD1 4.18Å; A195-L259 HydrophobicContact CB-CD2 4.41Å; Q198-L259 WeakPolarHBondContact CG-O 3.38Å; R199-L259 HydrophobicContact CG-CD2 4.29Å; V216-L259 HydrophobicContact CG1-CD2 4.15Å; V216-L259 HydrophobicContact CG1-CG 4.48Å; L255-L259 VanDerWaalsContact O-CB 3.31Å; L255-L259 WeakPolarHBondContact O-CB 3.24Å; L255-L259 VanDerWaalsContact O-CG 3.24Å; L255-L259 WeakPolarHBondContact O-CG 3.45Å; L255-L259 PolarHBondContact O-N 2.96Å
260	L	88.7	Confident	74.6	Confident	4 Å²	4	42.7 Å²	42.7	2%	0.021	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-5.4	178.7	-65.6	175.3	0	0	0	113.8	L194 F256 H258 F262 V281 R284	L194-L260 HydrophobicContact CD2-CD2 4.03Å; F256-L260 HydrophobicContact CD1-CD1 3.92Å; F256-L260 HydrophobicContact CD2-CD1 3.96Å; F256-L260 HydrophobicContact CE1-CD1 3.54Å; F256-L260 HydrophobicContact CE2-CD1 3.6Å; F256-L260 HydrophobicContact CG-CD1 4.12Å; F256-L260 HydrophobicContact CZ-CD1 3.37Å; F256-L260 WeakPolarHBondContact O-CB 3.39Å; F256-L260 VanDerWaalsContact O-CG 3.27Å; F256-L260 WeakPolarHBondContact O-CG 3.3Å; F256-L260 PolarHBondContact O-N 3.43Å; H258-L260 PolarHBondContact O-N 3.32Å; H258-L260 VanDerWaalsContact O-N 3.14Å; L260-F262 HydrophobicContact CB-CD2 3.53Å; L260-F262 HydrophobicContact CB-CE2 3.82Å; L260-F262 VanDerWaalsContact O-CD2 3.3Å; L260-F262 WeakPolarHBondContact O-CD2 3.4Å; L260-F262 VanDerWaalsContact O-CE2 3.23Å; L260-F262 WeakPolarHBondContact O-CE2 3.35Å; L260-V281 HydrophobicContact CD1-CB 4.39Å; L260-V281 HydrophobicContact CD1-CG1 3.75Å; L260-V281 HydrophobicContact CD1-CG2 4.15Å; L260-R284 HydrophobicContact CD2-CB 3.54Å; L260-R284 HydrophobicContact CD2-CG 4.2Å; L260-R284 PolarHBondContact O-NH1 3.09Å
261	G	82.7	Confident	72.4	Confident	57 Å²	57	44.9 Å²	44.9	59%	0.588	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	10.4	179.1	0	0	0	0	0	115.1	L257 H258 A263	L257-G261 PolarHBondContact O-N 2.89Å; H258-G261 PolarHBondContact O-N 3.09Å; G261-A263 VanDerWaalsContact C-N 3.34Å
262	F	75.6	Confident	70.2	Confident	16 Å²	16	53.1 Å²	53.1	7%	0.07	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-91.9	10.7	-175.6	-66	-89.6	0	0	0	113.7	R72 W104 L257 L260 C264 L265 A277 K280 V281	R72-F262 PolarHBondContact NH1-O 3.19Å; W104-F262 AromaticContact CH2-CD1 3.45Å; W104-F262 HydrophobicContact CH2-CD1 3.45Å; W104-F262 VanDerWaalsContact CH2-CD1 3.45Å; W104-F262 AromaticContact CH2-CE1 3.93Å; W104-F262 HydrophobicContact CH2-CE1 3.93Å; W104-F262 HydrophobicContact CH2-CG 4.19Å; W104-F262 HydrophobicContact CZ2-CD1 4.44Å; W104-F262 AromaticContact CZ3-CD1 4Å; W104-F262 HydrophobicContact CZ3-CD1 4Å; W104-F262 HydrophobicContact CZ3-CE1 4.42Å; W104-F262 HydrophobicContact CZ3-CG 4.37Å; L257-F262 HydrophobicContact CD2-CB 4.21Å; L257-F262 PolarHBondContact O-N 3.31Å; L260-F262 HydrophobicContact CB-CD2 3.53Å; L260-F262 HydrophobicContact CB-CE2 3.82Å; L260-F262 VanDerWaalsContact O-CD2 3.3Å; L260-F262 WeakPolarHBondContact O-CD2 3.4Å; L260-F262 VanDerWaalsContact O-CE2 3.23Å; L260-F262 WeakPolarHBondContact O-CE2 3.35Å; F262-C264 VanDerWaalsContact C-N 3.27Å; F262-C264 PolarHBondContact O-N 3.38Å; F262-L265 HydrophobicContact CD1-CD1 3.38Å; F262-L265 HydrophobicContact CE1-CD1 3.79Å; F262-L265 HydrophobicContact CG-CD1 4.38Å; F262-A277 HydrophobicContact CE1-CB 3.85Å; F262-K280 HydrophobicContact CZ-CB 4.37Å; F262-V281 HydrophobicContact CD2-CG2 3.88Å; F262-V281 HydrophobicContact CE1-CG2 4.33Å; F262-V281 HydrophobicContact CE2-CG2 3.38Å; F262-V281 HydrophobicContact CZ-CG2 3.65Å
263	A	59	Low	68.6	Low	18 Å²	18	58.2 Å²	58.2	15%	0.149	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-63.5	-30.1	178.2	0	0	0	0	0	113.4	T69 R72 G261	T69-A263 HydrophobicContact CG2-CB 3.79Å; R72-A263 WeakPolarHBondContact CD-O 3.48Å; G261-A263 VanDerWaalsContact C-N 3.34Å
264	C	47.6	Very low	67.3	Low	86 Å²	86	60 Å²	60	58%	0.581	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-112.2	7.4	-168.6	-62.2	0	0	0	0	115.9	F262	F262-C264 VanDerWaalsContact C-N 3.27Å; F262-C264 PolarHBondContact O-N 3.38Å
265	L	47.9	Very low	66.4	Low	85 Å²	85	64.2 Å²	64.2	45%	0.445	40%	0.396	S	S	.	.			trans	-74.9	128	175.4	-84.9	155.1	0	0	0	110.8	R72 F262	R72-L265 PolarHBondContact NH1-O 2.84Å; F262-L265 HydrophobicContact CD1-CD1 3.38Å; F262-L265 HydrophobicContact CE1-CD1 3.79Å; F262-L265 HydrophobicContact CG-CD1 4.38Å
266	P	43.6	Very low	65.7	Low	92 Å²	92	66.1 Å²	66.1	60%	0.597	41%	0.412	S	S	*	.			trans	-65.5	155	-178.9	27.4	-34.3	0	0	0	111.3	T268	P266-T268 PolarHBondContact O-N 3.03Å
267	A	43.3	Very low	65.1	Low	94 Å²	94	66.7 Å²	66.7	78%	0.777	42%	0.416	S	S	*	.	S	Bend	trans	-76.2	13.1	-176.4	0	0	0	0	0	114.2
268	T	41.8	Very low	64.9	Low	117 Å²	117	68 Å²	68	72%	0.718	42%	0.421	S	S	*	.			trans	-138.4	71.9	-164	54.3	0	0	0	0	111.8	P266	P266-T268 PolarHBondContact O-N 3.03Å
269	S	41.1	Very low	64.7	Low	61 Å²	61	70.6 Å²	70.6	43%	0.427	43%	0.433	S	S	.	.			trans	-153.3	105.7	152.4	67	0	0	0	0	107.9	N273	S269-N273 WeakPolarHBondContact OG-CB 3.37Å; S269-N273 PolarHBondContact OG-ND2 3.19Å
270	E	46.8	Very low	64.5	Low	192 Å²	192	75.7 Å²	75.7	90%	0.897	46%	0.455	S	S	*	.			trans	-73.1	158.3	-174.8	-61.3	-167	137.5	0	0	112.7	E272	E270-E272 PolarHBondContact O-N 3.27Å
271	G	52.8	Low	64.5	Low	51 Å²	51	75.5 Å²	75.5	53%	0.526	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	-87.7	165	0	0	0	0	0	116.1	S274	G271-S274 PolarHBondContact O-OG 3.06Å
272	E	50.5	Low	64.8	Low	172 Å²	172	76.3 Å²	76.3	80%	0.804	44%	0.444	S	S	*	.	H	α-helix	trans	-85.3	-37.6	-157.3	-60.7	-176.2	150.1	0	0	113	E270 S274 A276	E270-E272 PolarHBondContact O-N 3.27Å; E272-S274 VanDerWaalsContact C-N 3.33Å; E272-S274 PolarHBondContact O-N 3.44Å; E272-A276 PolarHBondContact O-N 3.27Å
273	N	63.1	Low	65.4	Low	108 Å²	108	82.8 Å²	82.8	58%	0.578	47%	0.469	S	S	*	.	H	α-helix	trans	-67.7	-29.3	179.5	-86.7	-23.4	0	0	0	113.3	S269 A277	S269-N273 WeakPolarHBondContact OG-CB 3.37Å; S269-N273 PolarHBondContact OG-ND2 3.19Å; N273-A277 WeakPolarHBondContact O-CB 3.4Å; N273-A277 PolarHBondContact O-N 3.34Å
274	S	69.2	Low	66.7	Low	38 Å²	38	86.9 Å²	86.9	27%	0.266	48%	0.48	S	S	.	.	H	α-helix	trans	-72.6	-39	-178.6	57.2	0	0	0	0	112.3	G271 E272 A277 W278	G271-S274 PolarHBondContact O-OG 3.06Å; E272-S274 VanDerWaalsContact C-N 3.33Å; E272-S274 PolarHBondContact O-N 3.44Å; S274-A277 WeakPolarHBondContact O-CB 3.33Å; S274-A277 PolarHBondContact O-N 3.41Å; S274-W278 WeakPolarHBondContact O-CB 3.31Å; S274-W278 PolarHBondContact O-N 3.36Å
275	V	77.6	Confident	68.6	Low	91 Å²	91	82.8 Å²	82.8	55%	0.552	45%	0.453	S	S	*	.	H	α-helix	trans	-64.8	-50.5	176.9	-178.6	0	0	0	0	110.4	A277 W278 E279	V275-A277 VanDerWaalsContact C-N 3.27Å; V275-A277 PolarHBondContact O-N 2.93Å; V275-W278 PolarHBondContact O-N 2.97Å; V275-E279 PolarHBondContact O-N 3.34Å
276	A	80.2	Confident	70.5	Confident	41 Å²	41	85.6 Å²	85.6	34%	0.339	46%	0.463	S	S	.	.	H	α-helix	trans	-64.2	-30.2	177.2	0	0	0	0	0	113.1	E272 K280	E272-A276 PolarHBondContact O-N 3.27Å; A276-K280 WeakPolarHBondContact O-CG 3.35Å; A276-K280 PolarHBondContact O-N 3.41Å
277	A	82.6	Confident	72.4	Confident	12 Å²	12	84.1 Å²	84.1	10%	0.099	47%	0.465	C	S	.	.	H	α-helix	trans	-67.5	-43.1	169.8	0	0	0	0	0	112	W104 F262 N273 S274 V275 K280 V281	W104-A277 HydrophobicContact CH2-CB 4.02Å; F262-A277 HydrophobicContact CE1-CB 3.85Å; N273-A277 WeakPolarHBondContact O-CB 3.4Å; N273-A277 PolarHBondContact O-N 3.34Å; S274-A277 WeakPolarHBondContact O-CB 3.33Å; S274-A277 PolarHBondContact O-N 3.41Å; V275-A277 VanDerWaalsContact C-N 3.27Å; V275-A277 PolarHBondContact O-N 2.93Å; A277-K280 WeakPolarHBondContact O-CB 3.44Å; A277-K280 PolarHBondContact O-N 3.41Å; A277-V281 PolarHBondContact O-N 2.95Å
278	W	87.8	Confident	74.5	Confident	30 Å²	30	80 Å²	80	11%	0.114	43%	0.43	C	S	.	.	H	α-helix	trans	-67.6	-37.8	179.2	-169	-115.6	0	0	0	112.8	W104 P105 V106 L164 F256 S274 V275 K280 V281 L282	W104-W278 AromaticContact CE3-CE3 3.58Å; W104-W278 HydrophobicContact CE3-CE3 3.58Å; W104-W278 AromaticContact CE3-CZ3 3.81Å; W104-W278 HydrophobicContact CE3-CZ3 3.81Å; W104-W278 AromaticContact CZ3-CE3 3.81Å; W104-W278 HydrophobicContact CZ3-CE3 3.81Å; W104-W278 HydrophobicContact CZ3-CZ3 4.24Å; P105-W278 HydrophobicContact CG-CD2 4.07Å; P105-W278 VanDerWaalsContact CG-CE2 3.47Å; P105-W278 HydrophobicContact CG-CG 4.44Å; P105-W278 HydrophobicContact CG-CH2 4.46Å; P105-W278 HydrophobicContact CG-CZ2 3.71Å; P105-W278 WeakPolarHBondContact O-CH2 3.3Å; P105-W278 VanDerWaalsContact O-CZ2 3.31Å; P105-W278 WeakPolarHBondContact O-CZ2 3.35Å; V106-W278 HydrophobicContact CB-CH2 3.98Å; V106-W278 HydrophobicContact CB-CZ3 4.46Å; L164-W278 HydrophobicContact CD1-CH2 3.84Å; L164-W278 HydrophobicContact CD1-CZ2 3.84Å; L164-W278 HydrophobicContact CG-CH2 4.23Å; L164-W278 HydrophobicContact CG-CZ2 3.95Å; F256-W278 HydrophobicContact CE1-CH2 4.25Å; F256-W278 HydrophobicContact CE1-CZ3 4.24Å; F256-W278 HydrophobicContact CZ-CH2 4.48Å; S274-W278 WeakPolarHBondContact O-CB 3.31Å; S274-W278 PolarHBondContact O-N 3.36Å; V275-W278 PolarHBondContact O-N 2.97Å; W278-K280 PolarHBondContact O-N 3.29Å; W278-V281 HydrophobicContact CD2-CB 4.34Å; W278-V281 HydrophobicContact CD2-CG1 4.46Å; W278-V281 HydrophobicContact CE3-CB 3.85Å; W278-V281 HydrophobicContact CE3-CG1 3.9Å; W278-V281 HydrophobicContact CE3-CG2 4Å; W278-V281 HydrophobicContact CH2-CG1 3.81Å; W278-V281 HydrophobicContact CZ2-CG1 4.39Å; W278-V281 HydrophobicContact CZ3-CB 4.02Å; W278-V281 HydrophobicContact CZ3-CG1 3.55Å; W278-V281 HydrophobicContact CZ3-CG2 4.17Å; W278-V281 WeakPolarHBondContact O-CA 3.44Å; W278-V281 VanDerWaalsContact O-CB 3.3Å; W278-V281 WeakPolarHBondContact O-CB 3.25Å; W278-V281 PolarHBondContact O-N 3.28Å; W278-L282 HydrophobicContact CZ2-CD2 4.16Å; W278-L282 WeakPolarHBondContact O-CG 3.32Å; W278-L282 PolarHBondContact O-N 3.46Å
279	E	86.9	Confident	76.8	Confident	109 Å²	109	76.9 Å²	76.9	51%	0.509	41%	0.41	S	S	.	.	H	α-helix	trans	-60.5	-32.6	171.7	-71	-173.9	166.2	0	0	113.2	V275 R283	V275-E279 PolarHBondContact O-N 3.34Å; E279-R283 WeakPolarHBondContact O-CB 3.38Å; E279-R283 WeakPolarHBondContact O-CG 3.39Å; E279-R283 PolarHBondContact O-N 2.71Å; E279-R283 PolarHBondContact O-NE 2.97Å
280	K	86.6	Confident	78.8	Confident	116 Å²	116	76.2 Å²	76.2	50%	0.504	40%	0.402	S	S	.	.	H	α-helix	trans	-68.7	-36.8	172.6	-66.6	165.5	-173.5	173.3	0	111.1	F262 A276 A277 W278 R284	F262-K280 HydrophobicContact CZ-CB 4.37Å; A276-K280 WeakPolarHBondContact O-CG 3.35Å; A276-K280 PolarHBondContact O-N 3.41Å; A277-K280 WeakPolarHBondContact O-CB 3.44Å; A277-K280 PolarHBondContact O-N 3.41Å; W278-K280 PolarHBondContact O-N 3.29Å; K280-R284 WeakPolarHBondContact O-CG 3.46Å; K280-R284 PolarHBondContact O-N 3.46Å; K280-R284 VanDerWaalsContact O-N 3.17Å
281	V	88.5	Confident	80.4	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-62.1	-51.8	171.7	168.1	0	0	0	0	111.1	W104 L164 F256 L260 F262 A277 W278 R283 R284 C285	W104-V281 HydrophobicContact CZ3-CG2 4.22Å; L164-V281 HydrophobicContact CD1-CG1 4.31Å; F256-V281 HydrophobicContact CE1-CG1 3.85Å; F256-V281 HydrophobicContact CZ-CG1 3.55Å; L260-V281 HydrophobicContact CD1-CB 4.39Å; L260-V281 HydrophobicContact CD1-CG1 3.75Å; L260-V281 HydrophobicContact CD1-CG2 4.15Å; F262-V281 HydrophobicContact CD2-CG2 3.88Å; F262-V281 HydrophobicContact CE1-CG2 4.33Å; F262-V281 HydrophobicContact CE2-CG2 3.38Å; F262-V281 HydrophobicContact CZ-CG2 3.65Å; A277-V281 PolarHBondContact O-N 2.95Å; W278-V281 HydrophobicContact CD2-CB 4.34Å; W278-V281 HydrophobicContact CD2-CG1 4.46Å; W278-V281 HydrophobicContact CE3-CB 3.85Å; W278-V281 HydrophobicContact CE3-CG1 3.9Å; W278-V281 HydrophobicContact CE3-CG2 4Å; W278-V281 HydrophobicContact CH2-CG1 3.81Å; W278-V281 HydrophobicContact CZ2-CG1 4.39Å; W278-V281 HydrophobicContact CZ3-CB 4.02Å; W278-V281 HydrophobicContact CZ3-CG1 3.55Å; W278-V281 HydrophobicContact CZ3-CG2 4.17Å; W278-V281 WeakPolarHBondContact O-CA 3.44Å; W278-V281 VanDerWaalsContact O-CB 3.3Å; W278-V281 WeakPolarHBondContact O-CB 3.25Å; W278-V281 PolarHBondContact O-N 3.28Å; V281-R283 VanDerWaalsContact C-N 3.33Å; V281-R283 PolarHBondContact O-N 3.13Å; V281-R284 PolarHBondContact O-N 3.2Å; V281-R284 VanDerWaalsContact O-N 3.08Å; V281-C285 PolarHBondContact O-N 2.92Å; V281-C285 PolarHBondContact O-SG 2.86Å
282	L	88.2	Confident	81.8	Confident	73 Å²	73	70.4 Å²	70.4	38%	0.382	37%	0.367	S	S	.	.	H	α-helix	trans	-58.8	-43	-179	-67.1	179.3	0	0	0	111.7	L164 W278 R284 C285 Q286	L164-L282 HydrophobicContact CD1-CD2 4.19Å; W278-L282 HydrophobicContact CZ2-CD2 4.16Å; W278-L282 WeakPolarHBondContact O-CG 3.32Å; W278-L282 PolarHBondContact O-N 3.46Å; L282-R284 PolarHBondContact O-N 2.86Å; L282-C285 CarbonylContact O-C 3.58Å; L282-C285 PolarHBondContact O-N 3.12Å; L282-C285 VanDerWaalsContact O-N 3.16Å; L282-Q286 PolarHBondContact O-N 3.32Å
283	R	87.7	Confident	83.4	Confident	153 Å²	153	63.8 Å²	63.8	58%	0.577	34%	0.335	S	S	*	.	H	α-helix	trans	-59.8	-42.6	173.3	-77.8	-175.6	-75	171.2	-13.5	113	E279 V281 C285 Q286	E279-R283 WeakPolarHBondContact O-CB 3.38Å; E279-R283 WeakPolarHBondContact O-CG 3.39Å; E279-R283 PolarHBondContact O-N 2.71Å; E279-R283 PolarHBondContact O-NE 2.97Å; V281-R283 VanDerWaalsContact C-N 3.33Å; V281-R283 PolarHBondContact O-N 3.13Å; R283-C285 VanDerWaalsContact C-N 3.28Å; R283-C285 PolarHBondContact O-N 2.89Å; R283-Q286 VanDerWaalsContact O-CB 3.25Å; R283-Q286 WeakPolarHBondContact O-CB 3.45Å; R283-Q286 PolarHBondContact O-N 3.11Å
284	R	87.3	Confident	84.2	Confident	103 Å²	103	68.6 Å²	68.6	39%	0.389	35%	0.345	S	S	.	.	H	α-helix	trans	-66.3	-29.9	175.8	-74.5	-178.2	172.6	-132.6	-0.1	112.8	R197 L260 K280 V281 L282	R197-R284 PolarHBondContact NH1-O 3.41Å; L260-R284 HydrophobicContact CD2-CB 3.54Å; L260-R284 HydrophobicContact CD2-CG 4.2Å; L260-R284 PolarHBondContact O-NH1 3.09Å; K280-R284 WeakPolarHBondContact O-CG 3.46Å; K280-R284 PolarHBondContact O-N 3.46Å; K280-R284 VanDerWaalsContact O-N 3.17Å; V281-R284 PolarHBondContact O-N 3.2Å; V281-R284 VanDerWaalsContact O-N 3.08Å; L282-R284 PolarHBondContact O-N 2.86Å
285	C	87.7	Confident	83.9	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.007	36%	0.355	C	S	.	.	H	α-helix	trans	-84.7	-4.7	176.1	-59.8	0	0	0	0	113.9	V189 V281 L282 R283 G287 L288 V289	V189-C285 HydrophobicContact CG2-CB 4.49Å; V281-C285 PolarHBondContact O-N 2.92Å; V281-C285 PolarHBondContact O-SG 2.86Å; L282-C285 CarbonylContact O-C 3.58Å; L282-C285 PolarHBondContact O-N 3.12Å; L282-C285 VanDerWaalsContact O-N 3.16Å; R283-C285 VanDerWaalsContact C-N 3.28Å; R283-C285 PolarHBondContact O-N 2.89Å; C285-G287 PolarHBondContact O-N 3.09Å; C285-L288 WeakPolarHBondContact O-CB 3.47Å; C285-L288 PolarHBondContact O-N 2.67Å; C285-V289 HydrophobicContact CB-CG2 4.36Å
286	Q	86.4	Confident	82.7	Confident	143 Å²	143	76.2 Å²	76.2	67%	0.668	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	130.7	-176.8	-168.9	176.8	4.5	0	0	111.6	R197 L282 R283 L288	R197-Q286 PolarHBondContact NH1-O 3.48Å; R197-Q286 PolarHBondContact NH2-O 3.45Å; L282-Q286 PolarHBondContact O-N 3.32Å; R283-Q286 VanDerWaalsContact O-CB 3.25Å; R283-Q286 WeakPolarHBondContact O-CB 3.45Å; R283-Q286 PolarHBondContact O-N 3.11Å; Q286-L288 VanDerWaalsContact C-N 3.27Å; Q286-L288 PolarHBondContact O-N 2.93Å
287	G	84.1	Confident	80.5	Confident	61 Å²	61	85.7 Å²	85.7	63%	0.629	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	10	-176	0	0	0	0	0	115.5	C285	C285-G287 PolarHBondContact O-N 3.09Å
288	L	88.6	Confident	78	Confident	9 Å²	9	90.1 Å²	90.1	5%	0.047	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-20	172.5	-56.3	-176.2	0	0	0	113.6	V189 Y193 L194 R197 C285 Q286 D290 I291	V189-L288 HydrophobicContact CG1-CB 4.33Å; Y193-L288 HydrophobicContact CD1-CD2 4.41Å; Y193-L288 HydrophobicContact CD2-CD2 4.21Å; Y193-L288 HydrophobicContact CG-CD2 3.88Å; L194-L288 HydrophobicContact CD2-CD1 3.64Å; L194-L288 HydrophobicContact CG-CD1 4.01Å; R197-L288 VanDerWaalsContact CZ-CG 3.49Å; C285-L288 WeakPolarHBondContact O-CB 3.47Å; C285-L288 PolarHBondContact O-N 2.67Å; Q286-L288 VanDerWaalsContact C-N 3.27Å; Q286-L288 PolarHBondContact O-N 2.93Å; L288-D290 PolarHBondContact O-N 2.85Å; L288-I291 PolarHBondContact O-N 2.93Å
289	V	88.3	Confident	75.1	Confident	50 Å²	50	94.7 Å²	94.7	30%	0.303	47%	0.467	S	S	.	.	B	Isolated β-bridge	trans	-67.4	129.6	-177.5	-172.4	0	0	0	0	110.6	L164 N188 V189 C285 I291	L164-V289 HydrophobicContact CD2-CG1 4.4Å; L164-V289 HydrophobicContact CD2-CG2 4.19Å; N188-V289 CarbonylContact O-C 3.59Å; N188-V289 WeakPolarHBondContact O-CA 3.28Å; V189-V289 HydrophobicContact CG2-CB 4.45Å; V189-V289 HydrophobicContact CG2-CG2 3.9Å; C285-V289 HydrophobicContact CB-CG2 4.36Å; V289-I291 PolarHBondContact O-N 3.34Å
290	D	83.1	Confident	72.3	Confident	47 Å²	47	94.3 Å²	94.3	25%	0.251	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	34.7	-179.8	-68.3	-38	0	0	0	113.5	W171 G187 N188 L288	W171-D290 VanDerWaalsContact CZ3-C 3.46Å; W171-D290 HydrophobicContact CZ3-CB 3.74Å; W171-D290 WeakPolarHBondContact CZ3-O 3.13Å; G187-D290 PolarHBondContact N-OD1 3.08Å; G187-D290 VanDerWaalsContact N-OD1 3.11Å; G187-D290 PolarHBondContact N-OD2 2.95Å; N188-D290 WeakPolarHBondContact CB-OD1 3.03Å; N188-D290 PolarHBondContact N-OD1 3.21Å; N188-D290 PolarHBondContact ND2-OD1 3.38Å; N188-D290 PolarHBondContact O-N 3.24Å; L288-D290 PolarHBondContact O-N 2.85Å
291	I	80.8	Confident	69.5	Low	74 Å²	74	95.4 Å²	95.4	38%	0.379	49%	0.493	S	S	.	.			trans	-108.3	121.5	176	-56.2	-56.8	0	0	0	111.2	Y193 L288 V289 F293	Y193-I291 HydrophobicContact CE2-CG2 4.07Å; L288-I291 PolarHBondContact O-N 2.93Å; V289-I291 PolarHBondContact O-N 3.34Å; I291-F293 PolarHBondContact O-N 2.92Å
292	P	82.9	Confident	66.5	Low	47 Å²	47	98.9 Å²	98.9	31%	0.305	53%	0.528	S	S	.	.			trans	-64.8	133.8	174.5	23.9	-32.7	0	0	0	111.7	W171 Y193 R294	W171-P292 HydrophobicContact CD2-CB 4.32Å; W171-P292 HydrophobicContact CG-CB 4.04Å; Y193-P292 PolarHBondContact OH-O 3.45Å; P292-R294 PolarHBondContact O-N 3.32Å
293	F	83.8	Confident	63.6	Low	33 Å²	33	103.4 Å²	103.4	15%	0.145	55%	0.552	C	S	.	*			trans	-67.3	117.4	179.3	-171.9	-99.9	0	0	0	112.1	R192 Y193 M196 L207 I291 G295	R192-F293 HydrophobicContact CB-CD2 3.73Å; R192-F293 HydrophobicContact CB-CE1 4.4Å; R192-F293 HydrophobicContact CB-CE2 3.37Å; R192-F293 HydrophobicContact CB-CG 4.4Å; R192-F293 HydrophobicContact CB-CZ 3.75Å; R192-F293 HydrophobicContact CG-CE2 4.43Å; R192-F293 VanDerWaalsContact CZ-CD1 3.43Å; R192-F293 VanDerWaalsContact NH2-CB 3.29Å; Y193-F293 AromaticContact CD1-CD2 3.9Å; Y193-F293 HydrophobicContact CD1-CD2 3.9Å; Y193-F293 AromaticContact CD1-CE2 3.86Å; Y193-F293 HydrophobicContact CD1-CE2 3.86Å; Y193-F293 AromaticContact CD2-CD2 3.86Å; Y193-F293 HydrophobicContact CD2-CD2 3.86Å; Y193-F293 AromaticContact CE1-CD2 3.72Å; Y193-F293 HydrophobicContact CE1-CD2 3.72Å; Y193-F293 AromaticContact CE1-CE2 3.86Å; Y193-F293 HydrophobicContact CE1-CE2 3.86Å; Y193-F293 HydrophobicContact CE2-CB 4.21Å; Y193-F293 AromaticContact CE2-CD2 3.68Å; Y193-F293 HydrophobicContact CE2-CD2 3.68Å; Y193-F293 HydrophobicContact CE2-CG 4.4Å; Y193-F293 AromaticContact CG-CD2 3.96Å; Y193-F293 HydrophobicContact CG-CD2 3.96Å; Y193-F293 HydrophobicContact CG-CE2 4.23Å; Y193-F293 AromaticContact CZ-CD2 3.62Å; Y193-F293 WeakPolarHBondContact OH-CA 3.29Å; M196-F293 HydrophobicContact SD-CE2 3.93Å; M196-F293 HydrophobicContact SD-CZ 3.99Å; L207-F293 HydrophobicContact CD1-CZ 3.99Å; I291-F293 PolarHBondContact O-N 2.92Å; F293-G295 VanDerWaalsContact CE1-CA 3.47Å
294	R	80.5	Confident	60.8	Low	209 Å²	209	105 Å²	105	79%	0.789	57%	0.567	S	S	*	*			trans	-102.4	90.8	172.4	-62.9	-171.5	-174.6	-159.7	3.2	110	Y193 P292	Y193-R294 PolarHBondContact OH-N 2.71Å; Y193-R294 VanDerWaalsContact OH-N 3.11Å; P292-R294 PolarHBondContact O-N 3.32Å
295	G	63.5	Low	58	Low	45 Å²	45	109.8 Å²	109.8	46%	0.464	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-55.7	141.7	172.8	0	0	0	0	0	111.8	F293 R297	F293-G295 VanDerWaalsContact CE1-CA 3.47Å; G295-R297 PolarHBondContact O-N 3.28Å; G295-R297 VanDerWaalsContact O-N 3.17Å
296	R	51.8	Low	55	Low	245 Å²	245	115.6 Å²	115.6	93%	0.925	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-56.2	121.5	167.1	-94.6	-177.7	166.4	179.3	-5.7	107.7	S298	R296-S298 PolarHBondContact O-N 3.48Å
297	R	34.6	Very low	52.1	Low	239 Å²	239	112 Å²	112	90%	0.902	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-61.2	125.5	171.3	-68.5	-179.2	179.9	172.9	1.9	107.9	G295 S299	G295-R297 PolarHBondContact O-N 3.28Å; G295-R297 VanDerWaalsContact O-N 3.17Å; R297-S299 PolarHBondContact O-N 2.82Å
298	S	28.3	Very low	49.2	Very low	105 Å²	105	119.1 Å²	119.1	73%	0.734	65%	0.649	S	S	*	*			trans	-62.1	114.6	164.3	52.1	0	0	0	0	108.5	R296 S300	R296-S298 PolarHBondContact O-N 3.48Å; S298-S300 PolarHBondContact O-N 3.13Å
299	S	28.5	Very low	46.1	Very low	127 Å²	127	123.8 Å²	123.8	89%	0.888	69%	0.689	S	S	*	*			trans	-74.8	101.7	174.4	47.1	0	0	0	0	110.1	R297	R297-S299 PolarHBondContact O-N 2.82Å
300	S	28.1	Very low	43	Very low	101 Å²	101	125.1 Å²	125.1	71%	0.706	71%	0.713	S	S	*	*			trans	-138	125.2	161.2	58.9	0	0	0	0	106.6	S298	S298-S300 PolarHBondContact O-N 3.13Å
301	T	27.5	Very low	40.1	Very low	139 Å²	139	128.5 Å²	128.5	85%	0.853	74%	0.74	S	S	*	*			cis	-118.5	163.7	6.4	43.1	0	0	0	0	111
302	G	25.9	Very low	37.9	Very low	72 Å²	72	130.2 Å²	130.2	74%	0.742	76%	0.756	S	S	*	*			trans	-74.8	150.2	175.6	0	0	0	0	0	112.4
303	D	26.8	Very low	35.2	Very low	168 Å²	168	136.3 Å²	136.3	90%	0.898	78%	0.781	S	S	*	*			trans	-136.9	121.7	137.6	-126.1	-19.6	0	0	0	105.5
304	E	28.3	Very low	32.3	Very low	187 Å²	187	144.2 Å²	144.2	87%	0.874	82%	0.815	S	S	*	*			trans	-82	135.6	-177.7	-67.5	-163.4	131.1	0	0	110.9
305	K	27.8	Very low	29.5	Very low	204 Å²	204	140.2 Å²	140.2	89%	0.887	81%	0.814	S	S	*	*			trans	-156.4	117.9	143	-112.3	160.3	-170.4	176.6	0	111.4
306	S	25.9	Very low	27.8	Very low	122 Å²	122	147.5 Å²	147.5	85%	0.853	83%	0.833	S	S	*	*			trans	-55.2	151.7	155	43.8	0	0	0	0	110.5
307	G	24.4	Very low	26.5	Very low	68 Å²	68	144 Å²	144	70%	0.701	83%	0.832	S	S	*	*			cis	-177.6	-155.1	-2	0	0	0	0	0	110.9
308	E	23.6	Very low	26	Very low	210 Å²	210	143.6 Å²	143.6	98%	0.981	83%	0.831	S	S	*	*			trans	77	153.2	173.7	-58.6	-157	128.1	0	0	119.5
309	A	24.6	Very low	25.8	Very low	107 Å²	107	148.3 Å²	148.3	88%	0.884	84%	0.838	S	S	*	*			trans	-104.6	151.1	-163.8	0	0	0	0	0	112.4
310	G	23.3	Very low	25.5	Very low	78 Å²	78	147.3 Å²	147.3	80%	0.804	83%	0.831	S	S	*	*			trans	164.8	99.4	172.1	0	0	0	0	0	114.1
311	S	22.2	Very low	25.2	Very low	118 Å²	118	147 Å²	147	83%	0.825	84%	0.835	S	S	*	*			trans	-73.9	154.6	145.7	-128.4	0	0	0	0	107.4
312	P	33.9	Very low	24.9	Very low	111 Å²	111	149 Å²	149	72%	0.721	84%	0.837	S	S	*	*			cis	-146.6	176.8	40.5	39.3	-18.1	0	0	0	117.9
313	Q	26.5	Very low	24.7	Very low	175 Å²	175	150.7 Å²	150.7	82%	0.818	84%	0.837	S	S	*	*			trans	23.1	124.6	148.6	-66.9	-178.7	-22.2	0	0	120.9
314	K	21.9	Very low	24.4	Very low	199 Å²	199	148.2 Å²	148.2	87%	0.865	83%	0.833	S	S	*	*			trans	162.2	153.7	138.5	-94.2	160.1	-175.3	179.9	0	108.9
315	T	22	Very low	24.1	Very low	125 Å²	125	148 Å²	148	77%	0.767	83%	0.832	S	S	*	*			cis	-155	163	-17.8	3.2	0	0	0	0	108.1
316	K	29	Very low	24.2	Very low	198 Å²	198	143.3 Å²	143.3	86%	0.861	82%	0.822	S	S	*	*			trans	-57	143.5	161.4	-69.1	169.1	177.4	167.6	0	109.6
317	N	24.1	Very low	24.1	Very low	170 Å²	170	143.1 Å²	143.1	91%	0.909	82%	0.821	S	S	*	*			trans	-146	153.4	141.5	-121.3	-21.1	0	0	0	113.4
318	R	24.3	Very low	24	Very low	231 Å²	231	143 Å²	143	87%	0.872	82%	0.82	S	S	*	*			trans	-141.1	121.7	-164.1	166.5	-164.4	176.9	-163.6	0.2	107.8
319	K	23.5	Very low	24.3	Very low	204 Å²	204	139.2 Å²	139.2	89%	0.887	82%	0.817	S	S	*	*			trans	164.8	158.3	168.6	-100.1	161.4	178.8	-172.9	0	107.5
320	S	21.7	Very low	24.4	Very low	107 Å²	107	142.8 Å²	142.8	75%	0.748	82%	0.815	S	S	*	*			cis	-169.1	157.7	-27.4	38.1	0	0	0	0	106.5
321	A	21.4	Very low	24.6	Very low	95 Å²	95	148 Å²	148	79%	0.785	82%	0.819	S	S	*	*			trans	-82.6	138.5	-177.3	0	0	0	0	0	112.9
322	M	21	Very low	24.7	Very low	181 Å²	181	149 Å²	149	89%	0.892	82%	0.819	S	S	*	*				168.8	148.6	109.6	-98	176	60	0	0	114.8
323	S	21.7	Very low	24.3	Very low	107 Å²	107	154.8 Å²	154.8	75%	0.748	83%	0.826	S	S	*	*			trans	87.4	143	150.8	-148.1	0	0	0	0	122.5
324	S	22.3	Very low	24.3	Very low	116 Å²	116	150.6 Å²	150.6	81%	0.811	81%	0.81	S	S	*	*			trans	68.2	119.8	163.5	45.8	0	0	0	0	121
325	Q	20.9	Very low	24.8	Very low	182 Å²	182	146 Å²	146	85%	0.85	80%	0.8	S	S	*	*			trans	-92.9	179.1	164.4	-86.2	-117	-0.4	0	0	110
326	P	31.1	Very low	25.6	Very low	106 Å²	106	150.8 Å²	150.8	69%	0.688	80%	0.804	S	S	*	*			cis	-135.1	-172.2	11.7	31.1	-7	0	0	0	116.8
327	S	23.3	Very low	25.8	Very low	117 Å²	117	152 Å²	152	82%	0.818	80%	0.804	S	S	*	*			trans	66.4	117.1	156.1	51.3	0	0	0	0	121
328	G	22.8	Very low	26.3	Very low	67 Å²	67	152 Å²	152	69%	0.691	80%	0.798	S	S	*	*			trans	173.5	108.3	171.2	0	0	0	0	0	110.2	Q330	G328-Q330 PolarHBondContact O-N 3.09Å; G328-Q330 VanDerWaalsContact O-N 3.13Å
329	S	28.7	Very low	26.7	Very low	129 Å²	129	150.2 Å²	150.2	90%	0.902	80%	0.796	S	S	*	*			trans	-46.7	107.8	-170.6	44.3	0	0	0	0	115.3
330	Q	27.3	Very low	27.6	Very low	182 Å²	182	149.8 Å²	149.8	85%	0.85	79%	0.789	S	S	*	*			trans	-87.7	112.3	165.1	-71.5	-167.9	4.6	0	0	110.3	G328 V332	G328-Q330 PolarHBondContact O-N 3.09Å; G328-Q330 VanDerWaalsContact O-N 3.13Å; Q330-V332 PolarHBondContact O-N 3.36Å
331	Q	26.1	Very low	28.2	Very low	189 Å²	189	152.4 Å²	152.4	88%	0.883	79%	0.787	S	S	*	*			trans	-55.2	120	165.3	-75.6	-179.6	-18.5	0	0	109.7	R333	Q331-R333 PolarHBondContact O-N 3.5Å; Q331-R333 VanDerWaalsContact O-N 3.12Å
332	V	24.9	Very low	28.9	Very low	137 Å²	137	152.6 Å²	152.6	83%	0.83	78%	0.781	S	S	*	*			trans	-62	114.7	175.5	178.1	0	0	0	0	108.7	Q330 D334	Q330-V332 PolarHBondContact O-N 3.36Å; V332-D334 PolarHBondContact O-N 2.8Å
333	R	24.9	Very low	29.8	Very low	233 Å²	233	148.1 Å²	148.1	88%	0.879	76%	0.76	S	S	*	*			trans	-67.3	121.2	172.5	-77.6	-176.9	171.3	177.3	-1.1	109.7	Q331 P335	Q331-R333 PolarHBondContact O-N 3.5Å; Q331-R333 VanDerWaalsContact O-N 3.12Å; R333-P335 WeakPolarHBondContact O-CD 3.3Å
334	D	26.3	Very low	30.9	Very low	87 Å²	87	144.9 Å²	144.9	47%	0.465	74%	0.743	S	S	.	*			trans	-50.8	117.6	175.8	178.4	4.7	0	0	0	111.8	V332 R336 R337	V332-D334 PolarHBondContact O-N 2.8Å; D334-R336 PolarHBondContact O-N 3.14Å; D334-R336 VanDerWaalsContact O-N 3.1Å; D334-R336 VanDerWaalsContact OD1-CB 3.26Å; D334-R336 WeakPolarHBondContact OD1-CB 3.44Å; D334-R336 VanDerWaalsContact OD1-CG 3.23Å; D334-R336 WeakPolarHBondContact OD1-CG 3.42Å; D334-R336 PolarHBondContact OD1-N 2.82Å; D334-R337 PolarHBondContact O-N 3.38Å
335	P	34.1	Very low	31.8	Very low	103 Å²	103	143.5 Å²	143.5	67%	0.669	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-59.1	-19.8	177.6	-24.6	34.8	0	0	0	114.6	R333 R337	R333-P335 WeakPolarHBondContact O-CD 3.3Å; P335-R337 VanDerWaalsContact C-N 3.26Å; P335-R337 PolarHBondContact O-N 3.35Å
336	R	38.3	Very low	32.7	Very low	225 Å²	225	138.4 Å²	138.4	85%	0.849	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-74.3	-12.8	-174.8	-58.6	168.5	-169.8	177	5	113.4	D334 Q338	D334-R336 PolarHBondContact O-N 3.14Å; D334-R336 VanDerWaalsContact O-N 3.1Å; D334-R336 VanDerWaalsContact OD1-CB 3.26Å; D334-R336 WeakPolarHBondContact OD1-CB 3.44Å; D334-R336 VanDerWaalsContact OD1-CG 3.23Å; D334-R336 WeakPolarHBondContact OD1-CG 3.42Å; D334-R336 PolarHBondContact OD1-N 2.82Å; R336-Q338 PolarHBondContact O-N 3.42Å
337	R	33.3	Very low	33.7	Very low	224 Å²	224	138 Å²	138	85%	0.845	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-96.5	46.8	172.7	-77.6	-170.9	169.7	-165	-1.3	113.5	D334 P335 K339	D334-R337 PolarHBondContact O-N 3.38Å; P335-R337 VanDerWaalsContact C-N 3.26Å; P335-R337 PolarHBondContact O-N 3.35Å; R337-K339 PolarHBondContact O-N 2.97Å
338	Q	33.8	Very low	35.1	Very low	169 Å²	169	138.4 Å²	138.4	79%	0.79	71%	0.714	S	S	*	*			trans	-66.5	96.1	159.7	-72.6	-168.1	11.3	0	0	109.9	R336 R340	R336-Q338 PolarHBondContact O-N 3.42Å; Q338-R340 PolarHBondContact O-N 3.16Å
339	K	33.7	Very low	37.1	Very low	194 Å²	194	136.7 Å²	136.7	84%	0.843	69%	0.693	S	S	*	*			trans	-58.1	104.8	159.3	-80.1	-176.7	175.2	176.1	0	107.4	R337 K341	R337-K339 PolarHBondContact O-N 2.97Å; K339-K341 PolarHBondContact O-N 2.91Å; K339-K341 VanDerWaalsContact O-N 3.11Å
340	R	41.8	Very low	38.9	Very low	195 Å²	195	134 Å²	134	74%	0.736	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-51.8	119	176.2	-67.4	-176.7	-179.5	178.7	1.1	107.9	Q338	Q338-R340 PolarHBondContact O-N 3.16Å
341	K	34.7	Very low	40.6	Very low	163 Å²	163	135.6 Å²	135.6	71%	0.709	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-72.7	140.7	178.9	-67.6	169.5	169.3	-178.6	0	108	K339 V345	K339-K341 PolarHBondContact O-N 2.91Å; K339-K341 VanDerWaalsContact O-N 3.11Å; K341-V345 HydrophobicContact CB-CB 3.96Å; K341-V345 HydrophobicContact CB-CG1 4.11Å; K341-V345 HydrophobicContact CB-CG2 4.4Å; K341-V345 HydrophobicContact CD-CB 4.44Å; K341-V345 HydrophobicContact CD-CG1 3.8Å; K341-V345 HydrophobicContact CG-CG1 4.29Å
342	P	35.4	Very low	42.7	Very low	99 Å²	99	129.5 Å²	129.5	64%	0.643	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-54.9	155	174.5	-25.8	34.4	0	0	0	112.4	V345	P342-V345 VanDerWaalsContact O-CG2 3.3Å; P342-V345 WeakPolarHBondContact O-CG2 3.41Å; P342-V345 PolarHBondContact O-N 3.43Å
343	L	40.3	Very low	45.1	Very low	87 Å²	87	125.6 Å²	125.6	46%	0.455	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-54.9	144.7	171.3	-71.4	-173.7	0	0	0	111	C175 L178	C175-L343 HydrophobicContact CB-CD1 3.63Å; C175-L343 HydrophobicContact CB-CG 3.97Å; L178-L343 HydrophobicContact CD2-CD1 4.07Å
344	G	44.2	Very low	47.6	Very low	39 Å²	39	115 Å²	115	40%	0.402	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	92.5	-17.7	-171.9	0	0	0	0	0	114.9	G346 Y347	G344-G346 VanDerWaalsContact C-N 3.34Å; G344-G346 PolarHBondContact O-N 2.81Å; G344-Y347 VanDerWaalsContact O-O 3.06Å
345	V	40.9	Very low	50.4	Low	86 Å²	86	112.5 Å²	112.5	52%	0.521	57%	0.568	S	S	.	*	S	Bend	trans	-81.3	-12.9	179.4	-170.2	0	0	0	0	113	K341 P342	K341-V345 HydrophobicContact CB-CB 3.96Å; K341-V345 HydrophobicContact CB-CG1 4.11Å; K341-V345 HydrophobicContact CB-CG2 4.4Å; K341-V345 HydrophobicContact CD-CB 4.44Å; K341-V345 HydrophobicContact CD-CG1 3.8Å; K341-V345 HydrophobicContact CG-CG1 4.29Å; P342-V345 VanDerWaalsContact O-CG2 3.3Å; P342-V345 WeakPolarHBondContact O-CG2 3.41Å; P342-V345 PolarHBondContact O-N 3.43Å
346	G	39.9	Very low	52.8	Low	75 Å²	75	110.7 Å²	110.7	77%	0.773	55%	0.553	S	S	*	*	S	Bend	trans	-85.2	-22.8	172.3	0	0	0	0	0	114.6	G344	G344-G346 VanDerWaalsContact C-N 3.34Å; G344-G346 PolarHBondContact O-N 2.81Å
347	Y	52.1	Low	55.2	Low	99 Å²	99	101.4 Å²	101.4	39%	0.388	52%	0.52	S	S	.	.	S	Bend	trans	-113.1	113.1	-178.5	-64.5	-75.8	0	0	0	109.9	G344 A349 I430 H463 N467	G344-Y347 VanDerWaalsContact O-O 3.06Å; Y347-A349 VanDerWaalsContact C-N 3.3Å; Y347-A349 PolarHBondContact O-N 3.08Å; Y347-I430 HydrophobicContact CD1-CD1 4.03Å; Y347-I430 HydrophobicContact CG-CD1 3.88Å; Y347-H463 AromaticContact CE1-CE1 3.6Å; Y347-H463 AromaticContact CE1-ND1 3.76Å; Y347-H463 AromaticContact CZ-ND1 3.95Å; Y347-N467 PolarHBondContact OH-ND2 3.1Å
348	S	54.4	Low	58	Low	124 Å²	124	90.9 Å²	90.9	87%	0.867	48%	0.481	S	S	*	.			trans	-71.6	88.7	170.3	-75.6	0	0	0	0	110.1
349	A	63.8	Low	60.8	Low	31 Å²	31	84.9 Å²	84.9	26%	0.256	45%	0.452	S	S	.	.			trans	-53.3	140.5	168.9	0	0	0	0	0	110.5	Y347	Y347-A349 VanDerWaalsContact C-N 3.3Å; Y347-A349 PolarHBondContact O-N 3.08Å
350	R	66.4	Low	63.7	Low	72 Å²	72	75.9 Å²	75.9	27%	0.272	41%	0.413	S	S	.	.			trans	-67.6	136.5	-178.2	-76.1	-162.3	61.4	150.6	3.5	111.3	S352 P353 L354 Y429	R350-S352 PolarHBondContact NE-O 2.96Å; R350-S352 PolarHBondContact NH2-O 3.27Å; R350-S352 PolarHBondContact NH2-OG 3.49Å; R350-P353 PolarHBondContact NH2-O 3.15Å; R350-L354 VanDerWaalsContact NH1-CD1 3.27Å; R350-Y429 HydrophobicContact CB-CD2 4.25Å; R350-Y429 HydrophobicContact CB-CE2 4.03Å; R350-Y429 PolarHBondContact N-O 3.37Å; R350-Y429 VanDerWaalsContact N-O 3.08Å
351	K	64.3	Low	66.2	Low	217 Å²	217	68.6 Å²	68.6	94%	0.943	39%	0.387	S	S	*	.	S	Bend	trans	-92.5	-0.1	171.3	-59.2	-173	-179.8	-174.9	0	113.6
352	S	69.4	Low	69	Low	60 Å²	60	60.8 Å²	60.8	42%	0.42	35%	0.354	S	S	.	.	S	Bend	trans	-145.8	151.2	-176.4	59.7	0	0	0	0	110.6	R350	R350-S352 PolarHBondContact NE-O 2.96Å; R350-S352 PolarHBondContact NH2-O 3.27Å; R350-S352 PolarHBondContact NH2-OG 3.49Å
353	P	74.1	Confident	71.7	Confident	56 Å²	56	58.2 Å²	58.2	36%	0.364	34%	0.337	S	S	.	.			trans	-52.8	145.5	177	21.8	-34	0	0	0	112.6	R350 N418 Y429	R350-P353 PolarHBondContact NH2-O 3.15Å; P353-N418 HydrophobicContact CB-CB 4.42Å; P353-N418 WeakPolarHBondContact CB-ND2 3.43Å; P353-Y429 WeakPolarHBondContact CA-OH 3.37Å
354	L	78.9	Confident	74.2	Confident	10 Å²	10	59 Å²	59	5%	0.052	34%	0.341	C	S	.	.	S	Bend	trans	-80.1	-52.7	169	173.5	62.6	0	0	0	110.8	R350 D356 N418 R431 L457	R350-L354 VanDerWaalsContact NH1-CD1 3.27Å; L354-D356 PolarHBondContact O-N 3.11Å; L354-N418 WeakPolarHBondContact CA-OD1 3.29Å; L354-N418 PolarHBondContact N-OD1 3.27Å; L354-R431 HydrophobicContact CD1-CG 4.23Å; L354-R431 HydrophobicContact CD2-CG 3.78Å; L354-L457 HydrophobicContact CB-CD1 4.23Å; L354-L457 HydrophobicContact CB-CD2 4.09Å; L354-L457 HydrophobicContact CD2-CD1 4.32Å; L354-L457 HydrophobicContact CD2-CD2 3.49Å; L354-L457 VanDerWaalsContact CD2-CD2 3.49Å; L354-L457 HydrophobicContact CD2-CG 3.82Å; L354-L457 HydrophobicContact CG-CD2 4.44Å
355	Y	83.8	Confident	76.3	Confident	35 Å²	35	58.6 Å²	58.6	14%	0.137	34%	0.338	C	S	.	.			trans	-91.6	104.1	-177.4	-49.8	-65	0	0	0	109	N357 K416 E417 N418 V455 L457	Y355-N357 VanDerWaalsContact C-N 3.26Å; Y355-N357 PolarHBondContact O-ND2 3.07Å; Y355-K416 WeakPolarHBondContact CB-O 3.35Å; Y355-K416 HydrophobicContact CD1-CB 3.97Å; Y355-K416 HydrophobicContact CD1-CD 4.06Å; Y355-K416 HydrophobicContact CD2-CB 3.59Å; Y355-K416 HydrophobicContact CE1-CB 4.27Å; Y355-K416 HydrophobicContact CE1-CD 3.85Å; Y355-K416 HydrophobicContact CE2-CB 3.91Å; Y355-K416 HydrophobicContact CG-CB 3.62Å; Y355-E417 WeakPolarHBondContact CD2-O 3.35Å; Y355-N418 PolarHBondContact N-OD1 3.23Å; Y355-N418 PolarHBondContact O-ND2 3.3Å; Y355-V455 PolarHBondContact OH-O 3.36Å; Y355-L457 HydrophobicContact CD2-CD1 4.12Å; Y355-L457 HydrophobicContact CE2-CD1 3.65Å; Y355-L457 HydrophobicContact CE2-CG 3.98Å
356	D	85.5	Confident	78.7	Confident	65 Å²	65	57.8 Å²	57.8	35%	0.348	33%	0.328	S	S	.	.			trans	-81.8	-9.5	168.8	-59.7	-40.9	0	0	0	111.7	L354 C358 R373	L354-D356 PolarHBondContact O-N 3.11Å; D356-C358 VanDerWaalsContact C-N 3.26Å; D356-C358 PolarHBondContact O-N 3.09Å; D356-C358 VanDerWaalsContact O-N 3.16Å; D356-R373 HydrophobicContact CB-CB 3.91Å; D356-R373 WeakPolarHBondContact OD2-CB 3.25Å; D356-R373 PolarHBondContact OD2-N 2.75Å
357	N	89.1	Confident	81.1	Confident	29 Å²	29	57 Å²	57	16%	0.155	31%	0.309	C	S	.	.			trans	50.6	37.2	175.3	-61.8	-59.8	0	0	0	114.9	Y355 V415 K416	Y355-N357 VanDerWaalsContact C-N 3.26Å; Y355-N357 PolarHBondContact O-ND2 3.07Å; N357-V415 HydrophobicContact CB-CG1 4.14Å; N357-K416 PolarHBondContact ND2-O 3.42Å; N357-K416 PolarHBondContact OD1-N 3.45Å
358	C	91.6	Very high	83	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.02	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	131.1	174.6	-60.8	0	0	0	0	110.2	D356 T370 C371 A376 F393	D356-C358 VanDerWaalsContact C-N 3.26Å; D356-C358 PolarHBondContact O-N 3.09Å; D356-C358 VanDerWaalsContact O-N 3.16Å; C358-T370 CarbonylContact O-C 3.6Å; C358-T370 WeakPolarHBondContact O-CA 3.38Å; C358-C371 WeakPolarHBondContact CB-O 3.47Å; C358-C371 PolarHBondContact N-O 3.03Å; C358-C371 PolarHBondContact O-N 2.97Å; C358-C371 PolarHBondContact O-SG 3.25Å; C358-C371 VanDerWaalsContact O-SG 3.37Å; C358-A376 HydrophobicContact CB-CB 3.9Å; C358-F393 CarbonylContact C-O 3.5Å; C358-F393 WeakPolarHBondContact CA-O 3.35Å; C358-F393 HydrophobicContact CB-CB 4.35Å; C358-F393 HydrophobicContact CB-CD1 3.95Å
359	F	93.1	Very high	84.6	Confident	44 Å²	44	48.6 Å²	48.6	19%	0.193	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	138	-177.3	-66.9	-92.8	0	0	0	112	T370 P392 F393 V394 V395 V415	F359-T370 HydrophobicContact CD1-CG2 4.07Å; F359-T370 HydrophobicContact CE1-CG2 3.74Å; F359-T370 HydrophobicContact CZ-CG2 4.14Å; F359-P392 HydrophobicContact CD2-CB 4.22Å; F359-P392 HydrophobicContact CE2-CB 4.18Å; F359-F393 PolarHBondContact N-O 3.05Å; F359-V394 HydrophobicContact CB-CG1 4.32Å; F359-V394 HydrophobicContact CB-CG2 4.17Å; F359-V394 WeakPolarHBondContact O-CA 3.36Å; F359-V395 PolarHBondContact O-N 3.48Å; F359-V415 HydrophobicContact CE2-CG2 4.41Å; F359-V415 HydrophobicContact CZ-CG2 3.78Å
360	L	93.4	Very high	85.9	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.8	167.8	-70.4	170.3	0	0	0	109.6	L368 C369 C371 Y379 V395 L397	L360-L368 WeakPolarHBondContact O-CB 3.48Å; L360-L368 PolarHBondContact O-N 3.37Å; L360-C369 PolarHBondContact N-O 3.03Å; L360-C371 HydrophobicContact CD1-CB 4.2Å; L360-Y379 HydrophobicContact CD1-CD2 4.46Å; L360-Y379 HydrophobicContact CD1-CE2 3.78Å; L360-Y379 HydrophobicContact CD2-CD2 3.75Å; L360-Y379 HydrophobicContact CD2-CE2 3.89Å; L360-V395 WeakPolarHBondContact CA-O 3.34Å; L360-V395 HydrophobicContact CD2-CB 4.1Å; L360-V395 HydrophobicContact CD2-CG1 4.34Å; L360-L397 HydrophobicContact CD2-CD2 4.26Å
361	H	94.3	Very high	87	Confident	42 Å²	42	45.4 Å²	45.4	19%	0.194	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	151.8	176.8	-71.3	-158.1	0	0	0	110.8	G365 Q366 V395 L397	H361-G365 PolarHBondContact ND1-O 2.9Å; H361-Q366 CarbonylContact C-O 3.55Å; H361-Q366 WeakPolarHBondContact CA-O 3.27Å; H361-V395 PolarHBondContact N-O 2.94Å; H361-L397 PolarHBondContact O-N 3.24Å
362	A	94.1	Very high	88.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.222	C	C	.	.			trans	-76	169.4	172.9	0	0	0	0	0	112.4	D364 G365 Q366 L368 P401	A362-D364 WeakPolarHBondContact CB-OD1 3.46Å; A362-D364 PolarHBondContact O-N 3.08Å; A362-D364 VanDerWaalsContact O-N 3.15Å; A362-G365 WeakPolarHBondContact O-CA 3.21Å; A362-G365 PolarHBondContact O-N 2.8Å; A362-Q366 HydrophobicContact CB-CB 4.26Å; A362-Q366 PolarHBondContact N-O 3.05Å; A362-L368 HydrophobicContact CB-CD1 4.13Å; A362-L368 HydrophobicContact CB-CD2 4.14Å; A362-L368 HydrophobicContact CB-CG 4.19Å; A362-P401 HydrophobicContact CB-CG 4.49Å
363	P	92.9	Very high	89.2	Confident	45 Å²	45	40.6 Å²	40.6	29%	0.292	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-25	179.3	-25.9	34.5	0	0	0	115.2	K396 L397 F399	P363-K396 VanDerWaalsContact C-CE 3.41Å; P363-K396 WeakPolarHBondContact O-CE 3.28Å; P363-K396 PolarHBondContact O-NZ 3.17Å; P363-L397 WeakPolarHBondContact CG-O 3.39Å; P363-F399 WeakPolarHBondContact CD-O 3.22Å; P363-F399 VanDerWaalsContact CG-O 3.31Å; P363-F399 WeakPolarHBondContact CG-O 3.41Å
364	D	91.9	Very high	90	Very high	103 Å²	103	46.6 Å²	46.6	55%	0.551	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-6.1	174.1	54.7	22.7	0	0	0	114	A362 Q366 R404	A362-D364 WeakPolarHBondContact CB-OD1 3.46Å; A362-D364 PolarHBondContact O-N 3.08Å; A362-D364 VanDerWaalsContact O-N 3.15Å; D364-Q366 WeakPolarHBondContact OD1-CB 3.43Å; D364-Q366 PolarHBondContact OD1-N 3.29Å; D364-R404 IonicContact OD1-NH1 3.45Å; D364-R404 IonicContact OD2-CZ 3.14Å; D364-R404 VanDerWaalsContact OD2-CZ 3.25Å; D364-R404 IonicContact OD2-NH1 2.71Å; D364-R404 PolarHBondContact OD2-NH1 2.83Å; D364-R404 IonicContact OD2-NH2 2.65Å; D364-R404 PolarHBondContact OD2-NH2 3.02Å
365	G	88.6	Confident	90.6	Very high	31 Å²	31	50.9 Å²	50.9	32%	0.32	26%	0.259	S	S	.	.	S	Bend	trans	94.8	-2.1	-177.3	0	0	0	0	0	115.3	H361 A362 P367	H361-G365 PolarHBondContact ND1-O 2.9Å; A362-G365 WeakPolarHBondContact O-CA 3.21Å; A362-G365 PolarHBondContact O-N 2.8Å; G365-P367 WeakPolarHBondContact O-CD 3.36Å
366	Q	90.9	Very high	91	Very high	69 Å²	69	49.2 Å²	49.2	32%	0.322	25%	0.253	S	S	.	.			trans	-61.7	128.1	177.1	-170.4	-172.8	6.8	0	0	110.8	H361 A362 D364	H361-Q366 CarbonylContact C-O 3.55Å; H361-Q366 WeakPolarHBondContact CA-O 3.27Å; A362-Q366 HydrophobicContact CB-CB 4.26Å; A362-Q366 PolarHBondContact N-O 3.05Å; D364-Q366 WeakPolarHBondContact OD1-CB 3.43Å; D364-Q366 PolarHBondContact OD1-N 3.29Å
367	P	91.4	Very high	91.4	Very high	58 Å²	58	49.2 Å²	49.2	38%	0.377	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	135.5	171.6	-24.2	35.5	0	0	0	112	G365 L413	G365-P367 WeakPolarHBondContact O-CD 3.36Å; P367-L413 HydrophobicContact CB-CD2 3.82Å
368	L	90.3	Very high	91.6	Very high	18 Å²	18	53.9 Å²	53.9	9%	0.094	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-55.8	-178.8	-62.1	172.4	0	0	0	112.2	L360 A362 L397 P401 R404 P405 L413	L360-L368 WeakPolarHBondContact O-CB 3.48Å; L360-L368 PolarHBondContact O-N 3.37Å; A362-L368 HydrophobicContact CB-CD1 4.13Å; A362-L368 HydrophobicContact CB-CD2 4.14Å; A362-L368 HydrophobicContact CB-CG 4.19Å; L368-L397 HydrophobicContact CD1-CD1 3.73Å; L368-L397 HydrophobicContact CD1-CG 4.49Å; L368-P401 HydrophobicContact CD1-CB 4.07Å; L368-P401 HydrophobicContact CD1-CG 3.84Å; L368-P401 HydrophobicContact CD2-CG 3.91Å; L368-R404 HydrophobicContact CD2-CB 4.5Å; L368-R404 HydrophobicContact CD2-CG 4.07Å; L368-P405 WeakPolarHBondContact O-CG 3.43Å; L368-L413 WeakPolarHBondContact O-CD2 3.47Å
369	C	89.9	Confident	91.8	Very high	28 Å²	28	55.2 Å²	55.2	19%	0.189	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	161.3	177.8	56.3	0	0	0	0	113.2	L360 Y412	L360-C369 PolarHBondContact N-O 3.03Å; C369-Y412 CarbonylContact C-O 3.45Å; C369-Y412 WeakPolarHBondContact CA-O 3.26Å
370	T	90.7	Very high	91.8	Very high	23 Å²	23	54.9 Å²	54.9	14%	0.141	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	143.2	160.6	52.4	0	0	0	0	110.6	C358 F359 Y412 T414 K416	C358-T370 CarbonylContact O-C 3.6Å; C358-T370 WeakPolarHBondContact O-CA 3.38Å; F359-T370 HydrophobicContact CD1-CG2 4.07Å; F359-T370 HydrophobicContact CE1-CG2 3.74Å; F359-T370 HydrophobicContact CZ-CG2 4.14Å; T370-Y412 PolarHBondContact N-O 2.68Å; T370-Y412 PolarHBondContact OG1-O 3.15Å; T370-T414 PolarHBondContact OG1-O 2.86Å; T370-K416 PolarHBondContact OG1-NZ 3.45Å
371	C	89.4	Confident	91.9	Very high	14 Å²	14	60.2 Å²	60.2	10%	0.095	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	169.1	-179.7	72.4	0	0	0	0	113.8	C358 L360 K375	C358-C371 WeakPolarHBondContact CB-O 3.47Å; C358-C371 PolarHBondContact N-O 3.03Å; C358-C371 PolarHBondContact O-N 2.97Å; C358-C371 PolarHBondContact O-SG 3.25Å; C358-C371 VanDerWaalsContact O-SG 3.37Å; L360-C371 HydrophobicContact CD1-CB 4.2Å; C371-K375 HydrophobicContact CB-CB 4.46Å; C371-K375 HydrophobicContact CB-CD 4.15Å
372	D	89.6	Confident	92	Very high	69 Å²	69	64.5 Å²	64.5	37%	0.369	32%	0.318	S	S	.	.			trans	-66.1	144.6	174.2	-60.9	15.6	0	0	0	111.2	K374 K375 A376	D372-K374 PolarHBondContact O-N 2.71Å; D372-K374 VanDerWaalsContact O-N 3.1Å; D372-K375 WeakPolarHBondContact O-CB 3.08Å; D372-K375 PolarHBondContact O-N 2.66Å; D372-A376 PolarHBondContact O-N 2.87Å; D372-A376 VanDerWaalsContact O-N 3.14Å
373	R	90.1	Very high	91.9	Very high	107 Å²	107	66.9 Å²	66.9	40%	0.404	34%	0.342	S	S	.	.	H	α-helix	trans	-56.5	-34	-178.8	-177.7	60	172.2	-116.3	0.6	112.2	D356 Q377 F393	D356-R373 HydrophobicContact CB-CB 3.91Å; D356-R373 WeakPolarHBondContact OD2-CB 3.25Å; D356-R373 PolarHBondContact OD2-N 2.75Å; R373-Q377 VanDerWaalsContact O-CB 3.25Å; R373-Q377 WeakPolarHBondContact O-CB 3.49Å; R373-Q377 PolarHBondContact O-N 3.3Å; R373-F393 VanDerWaalsContact NH1-CG 3.27Å
374	K	91.1	Very high	92	Very high	182 Å²	182	67.4 Å²	67.4	79%	0.791	34%	0.342	S	S	*	.	H	α-helix	trans	-64.9	-35.1	175.3	-66.7	-174.5	178.7	-175.8	0	113.4	D372 W378	D372-K374 PolarHBondContact O-N 2.71Å; D372-K374 VanDerWaalsContact O-N 3.1Å; K374-W378 WeakPolarHBondContact O-CB 3.46Å; K374-W378 PolarHBondContact O-N 2.84Å
375	K	90.8	Very high	92.1	Very high	99 Å²	99	62.9 Å²	62.9	43%	0.43	32%	0.32	S	S	.	.	H	α-helix	trans	-74.6	-44.5	177.7	-173.8	-177.8	176.6	-170.7	0	110.1	C371 D372 Q377 W378 Y379	C371-K375 HydrophobicContact CB-CB 4.46Å; C371-K375 HydrophobicContact CB-CD 4.15Å; D372-K375 WeakPolarHBondContact O-CB 3.08Å; D372-K375 PolarHBondContact O-N 2.66Å; K375-Q377 VanDerWaalsContact C-N 3.35Å; K375-Q377 PolarHBondContact O-N 3.47Å; K375-W378 WeakPolarHBondContact O-CB 3.36Å; K375-W378 PolarHBondContact O-N 2.69Å; K375-Y379 HydrophobicContact CD-CE2 4.47Å; K375-Y379 WeakPolarHBondContact CE-OH 3.36Å; K375-Y379 HydrophobicContact CG-CE2 3.93Å; K375-Y379 WeakPolarHBondContact O-CD2 3.26Å; K375-Y379 PolarHBondContact O-N 3.1Å
376	A	92	Very high	92.5	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-57.9	-47	173.7	0	0	0	0	0	111.5	C358 D372 W378 Y379 F393 V395	C358-A376 HydrophobicContact CB-CB 3.9Å; D372-A376 PolarHBondContact O-N 2.87Å; D372-A376 VanDerWaalsContact O-N 3.14Å; A376-W378 VanDerWaalsContact C-N 3.34Å; A376-W378 PolarHBondContact O-N 3.04Å; A376-Y379 PolarHBondContact O-N 3.14Å; A376-F393 HydrophobicContact CB-CD1 3.96Å; A376-F393 HydrophobicContact CB-CE1 3.73Å; A376-V395 HydrophobicContact CB-CG2 4.01Å
377	Q	93.6	Very high	92.7	Very high	66 Å²	66	66.9 Å²	66.9	31%	0.308	33%	0.332	S	S	.	.	H	α-helix	trans	-61.6	-38.4	176.7	-168.1	63.2	50.6	0	0	112.7	R373 K375 Y379 L380 D381	R373-Q377 VanDerWaalsContact O-CB 3.25Å; R373-Q377 WeakPolarHBondContact O-CB 3.49Å; R373-Q377 PolarHBondContact O-N 3.3Å; K375-Q377 VanDerWaalsContact C-N 3.35Å; K375-Q377 PolarHBondContact O-N 3.47Å; Q377-Y379 VanDerWaalsContact C-N 3.27Å; Q377-Y379 PolarHBondContact O-N 3.18Å; Q377-L380 WeakPolarHBondContact O-CB 3.31Å; Q377-L380 PolarHBondContact O-N 3.33Å; Q377-L380 VanDerWaalsContact O-N 3.07Å; Q377-D381 PolarHBondContact NE2-OD1 2.92Å; Q377-D381 PolarHBondContact O-N 2.9Å
378	W	94.8	Very high	92.8	Very high	126 Å²	126	68.2 Å²	68.2	48%	0.477	34%	0.339	S	S	.	.	H	α-helix	trans	-58.8	-35.1	177.7	179.4	93.4	0	0	0	113.3	K374 K375 A376 K382 I384	K374-W378 WeakPolarHBondContact O-CB 3.46Å; K374-W378 PolarHBondContact O-N 2.84Å; K375-W378 WeakPolarHBondContact O-CB 3.36Å; K375-W378 PolarHBondContact O-N 2.69Å; A376-W378 VanDerWaalsContact C-N 3.34Å; A376-W378 PolarHBondContact O-N 3.04Å; W378-K382 HydrophobicContact CD2-CG 4.04Å; W378-K382 HydrophobicContact CE3-CG 4.44Å; W378-K382 HydrophobicContact CH2-CG 4.34Å; W378-K382 HydrophobicContact CZ2-CG 3.94Å; W378-K382 VanDerWaalsContact O-CB 3.26Å; W378-K382 WeakPolarHBondContact O-CB 3.18Å; W378-K382 WeakPolarHBondContact O-CG 3.45Å; W378-K382 PolarHBondContact O-N 3.38Å; W378-I384 HydrophobicContact CH2-CD1 4.15Å; W378-I384 HydrophobicContact CZ3-CD1 3.83Å
379	Y	94.6	Very high	93	Very high	32 Å²	32	69.3 Å²	69.3	13%	0.125	35%	0.348	C	S	.	.	H	α-helix	trans	-68	-38.5	175	-69	-75.1	0	0	0	112.3	L360 K375 A376 Q377 G383 I384 G385 L397 F399	L360-Y379 HydrophobicContact CD1-CD2 4.46Å; L360-Y379 HydrophobicContact CD1-CE2 3.78Å; L360-Y379 HydrophobicContact CD2-CD2 3.75Å; L360-Y379 HydrophobicContact CD2-CE2 3.89Å; K375-Y379 HydrophobicContact CD-CE2 4.47Å; K375-Y379 WeakPolarHBondContact CE-OH 3.36Å; K375-Y379 HydrophobicContact CG-CE2 3.93Å; K375-Y379 WeakPolarHBondContact O-CD2 3.26Å; K375-Y379 PolarHBondContact O-N 3.1Å; A376-Y379 PolarHBondContact O-N 3.14Å; Q377-Y379 VanDerWaalsContact C-N 3.27Å; Q377-Y379 PolarHBondContact O-N 3.18Å; Y379-G383 PolarHBondContact O-N 2.85Å; Y379-I384 HydrophobicContact CD1-CD1 3.89Å; Y379-I384 HydrophobicContact CD1-CG1 4.05Å; Y379-I384 HydrophobicContact CE1-CD1 4.45Å; Y379-I384 PolarHBondContact O-N 3.47Å; Y379-I384 VanDerWaalsContact O-N 3.11Å; Y379-G385 PolarHBondContact O-N 3.43Å; Y379-G385 VanDerWaalsContact O-N 3.11Å; Y379-L397 HydrophobicContact CD1-CD2 3.54Å; Y379-L397 HydrophobicContact CD2-CD2 4.17Å; Y379-L397 HydrophobicContact CE1-CD2 3.75Å; Y379-L397 HydrophobicContact CE2-CD2 4.34Å; Y379-L397 HydrophobicContact CG-CD2 3.78Å; Y379-F399 HydrophobicContact CD1-CE1 4.29Å; Y379-F399 HydrophobicContact CE1-CE1 4.22Å; Y379-F399 HydrophobicContact CE1-CZ 4.06Å
380	L	94.4	Very high	93	Very high	36 Å²	36	72.8 Å²	72.8	19%	0.188	37%	0.369	C	S	.	.	H	α-helix	trans	-65.2	-50.6	174.4	-58.2	177.5	0	0	0	110.9	Q377 K382 G383 G385 L387 F393 V395	Q377-L380 WeakPolarHBondContact O-CB 3.31Å; Q377-L380 PolarHBondContact O-N 3.33Å; Q377-L380 VanDerWaalsContact O-N 3.07Å; L380-K382 PolarHBondContact O-N 3.07Å; L380-K382 VanDerWaalsContact O-N 3.17Å; L380-G383 PolarHBondContact O-N 3.46Å; L380-G385 WeakPolarHBondContact CD2-O 3.35Å; L380-L387 HydrophobicContact CD1-CB 4.32Å; L380-L387 HydrophobicContact CD1-CD1 4.44Å; L380-L387 HydrophobicContact CD2-CB 4.01Å; L380-F393 HydrophobicContact CD1-CE1 4.45Å; L380-F393 HydrophobicContact CD1-CZ 3.87Å; L380-V395 HydrophobicContact CD1-CG2 3.99Å; L380-V395 HydrophobicContact CD2-CB 4.48Å; L380-V395 HydrophobicContact CD2-CG1 3.75Å; L380-V395 HydrophobicContact CD2-CG2 3.96Å; L380-V395 HydrophobicContact CG-CG1 4.19Å; L380-V395 HydrophobicContact CG-CG2 3.96Å
381	D	95.3	Very high	92.8	Very high	117 Å²	117	78.5 Å²	78.5	63%	0.626	40%	0.398	S	S	*	.	H	α-helix	trans	-62.3	-24.4	-179.4	-62.4	-9.1	0	0	0	112.6	Q377	Q377-D381 PolarHBondContact NE2-OD1 2.92Å; Q377-D381 PolarHBondContact O-N 2.9Å
382	K	95.1	Very high	92.8	Very high	131 Å²	131	81.2 Å²	81.2	57%	0.57	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-3.7	174.9	-74.1	-63.2	-174.1	-176.5	0	114.4	W378 L380 I384	W378-K382 HydrophobicContact CD2-CG 4.04Å; W378-K382 HydrophobicContact CE3-CG 4.44Å; W378-K382 HydrophobicContact CH2-CG 4.34Å; W378-K382 HydrophobicContact CZ2-CG 3.94Å; W378-K382 VanDerWaalsContact O-CB 3.26Å; W378-K382 WeakPolarHBondContact O-CB 3.18Å; W378-K382 WeakPolarHBondContact O-CG 3.45Å; W378-K382 PolarHBondContact O-N 3.38Å; L380-K382 PolarHBondContact O-N 3.07Å; L380-K382 VanDerWaalsContact O-N 3.17Å; K382-I384 HydrophobicContact CB-CD1 4.03Å; K382-I384 HydrophobicContact CB-CG1 3.77Å; K382-I384 PolarHBondContact O-N 2.76Å
383	G	93.5	Very high	92.9	Very high	50 Å²	50	78.6 Å²	78.6	52%	0.515	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	25.2	-178.8	0	0	0	0	0	113.8	Y379 L380 Q398	Y379-G383 PolarHBondContact O-N 2.85Å; L380-G383 PolarHBondContact O-N 3.46Å; G383-Q398 PolarHBondContact O-OE1 3.27Å
384	I	94.9	Very high	93.1	Very high	57 Å²	57	74.1 Å²	74.1	29%	0.292	39%	0.386	S	S	.	.	S	Bend	trans	-118.8	9.2	179.4	57.9	173.1	0	0	0	112.2	W378 Y379 K382 Q398 F399	W378-I384 HydrophobicContact CH2-CD1 4.15Å; W378-I384 HydrophobicContact CZ3-CD1 3.83Å; Y379-I384 HydrophobicContact CD1-CD1 3.89Å; Y379-I384 HydrophobicContact CD1-CG1 4.05Å; Y379-I384 HydrophobicContact CE1-CD1 4.45Å; Y379-I384 PolarHBondContact O-N 3.47Å; Y379-I384 VanDerWaalsContact O-N 3.11Å; K382-I384 HydrophobicContact CB-CD1 4.03Å; K382-I384 HydrophobicContact CB-CG1 3.77Å; K382-I384 PolarHBondContact O-N 2.76Å; I384-Q398 PolarHBondContact O-N 3.16Å; I384-F399 HydrophobicContact CB-CD1 4.2Å; I384-F399 HydrophobicContact CB-CE1 4.27Å; I384-F399 HydrophobicContact CD1-CE1 4.04Å; I384-F399 HydrophobicContact CG1-CE1 4.37Å
385	G	94.1	Very high	93.3	Very high	8 Å²	8	65.4 Å²	65.4	8%	0.082	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	150.9	172	0	0	0	0	0	111	Y379 L380 K396	Y379-G385 PolarHBondContact O-N 3.43Å; Y379-G385 VanDerWaalsContact O-N 3.11Å; L380-G385 WeakPolarHBondContact CD2-O 3.35Å; G385-K396 CarbonylContact C-O 3.55Å; G385-K396 WeakPolarHBondContact CA-O 3.44Å
386	E	95.6	Very high	93.6	Very high	104 Å²	104	63.6 Å²	63.6	49%	0.486	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	139.1	179.5	-178	-177.6	-171.3	0	0	109.6	V388 V395 K396	E386-V388 PolarHBondContact O-N 3.24Å; E386-V395 CarbonylContact O-C 3.51Å; E386-V395 WeakPolarHBondContact O-CA 3.43Å; E386-K396 PolarHBondContact N-O 3.22Å; E386-K396 PolarHBondContact O-N 3.3Å
387	L	95.4	Very high	93.7	Very high	80 Å²	80	63.9 Å²	63.9	42%	0.419	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	112.6	176.8	178.5	63.3	0	0	0	109.6	L380 S389 T390 F393 V395	L380-L387 HydrophobicContact CD1-CB 4.32Å; L380-L387 HydrophobicContact CD1-CD1 4.44Å; L380-L387 HydrophobicContact CD2-CB 4.01Å; L387-S389 VanDerWaalsContact CD1-O 3.32Å; L387-S389 WeakPolarHBondContact CD1-O 3.31Å; L387-T390 HydrophobicContact CD2-CG2 4.05Å; L387-F393 HydrophobicContact CD1-CD2 3.91Å; L387-F393 HydrophobicContact CD1-CE1 4.47Å; L387-F393 HydrophobicContact CD1-CE2 3.36Å; L387-F393 HydrophobicContact CD1-CZ 3.71Å; L387-F393 HydrophobicContact CD2-CE2 4.47Å; L387-V395 HydrophobicContact CD1-CG2 4.47Å
388	V	94.3	Very high	93.7	Very high	86 Å²	86	66.3 Å²	66.3	52%	0.521	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-39.8	-178.1	177.5	0	0	0	0	112.1	E386 V394 K396	E386-V388 PolarHBondContact O-N 3.24Å; V388-V394 HydrophobicContact CB-CB 4.32Å; V388-V394 HydrophobicContact CB-CG1 4.24Å; V388-V394 PolarHBondContact N-O 3.13Å; V388-K396 HydrophobicContact CG2-CB 3.5Å; V388-K396 VanDerWaalsContact CG2-CB 3.5Å; V388-K396 HydrophobicContact CG2-CD 4.26Å; V388-K396 HydrophobicContact CG2-CG 4.5Å
389	S	93.2	Very high	93.7	Very high	40 Å²	40	64.3 Å²	64.3	28%	0.28	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	147.9	174.2	-174.9	0	0	0	0	111	L387 D391 P392 F393 V394	L387-S389 VanDerWaalsContact CD1-O 3.32Å; L387-S389 WeakPolarHBondContact CD1-O 3.31Å; S389-D391 PolarHBondContact OG-N 2.84Å; S389-D391 PolarHBondContact OG-O 3.01Å; S389-D391 VanDerWaalsContact OG-O 3.11Å; S389-P392 CarbonylContact C-O 3.51Å; S389-P392 WeakPolarHBondContact CB-O 3.36Å; S389-P392 PolarHBondContact OG-O 3.22Å; S389-F393 WeakPolarHBondContact O-CA 3.25Å; S389-V394 PolarHBondContact N-O 2.89Å; S389-V394 PolarHBondContact O-N 2.71Å
390	T	89.7	Confident	93.5	Very high	102 Å²	102	68.1 Å²	68.1	63%	0.626	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	-27.5	174.1	46.3	0	0	0	0	113.1	L387	L387-T390 HydrophobicContact CD2-CG2 4.05Å
391	D	87.9	Confident	93.3	Very high	142 Å²	142	67.3 Å²	67.3	76%	0.759	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146	114.4	176.7	-166.5	16.5	0	0	0	111	S389	S389-D391 PolarHBondContact OG-N 2.84Å; S389-D391 PolarHBondContact OG-O 3.01Å; S389-D391 VanDerWaalsContact OG-O 3.11Å
392	P	88	Confident	92.6	Very high	72 Å²	72	68.4 Å²	68.4	47%	0.468	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	cis	-57	154.2	-14.4	28.5	-35.8	0	0	0	110.6	F359 S389 V394	F359-P392 HydrophobicContact CD2-CB 4.22Å; F359-P392 HydrophobicContact CE2-CB 4.18Å; S389-P392 CarbonylContact C-O 3.51Å; S389-P392 WeakPolarHBondContact CB-O 3.36Å; S389-P392 PolarHBondContact OG-O 3.22Å; P392-V394 HydrophobicContact CG-CG2 4.25Å; P392-V394 WeakPolarHBondContact O-CG2 3.39Å; P392-V394 PolarHBondContact O-N 3.39Å; P392-V394 VanDerWaalsContact O-N 3.14Å
393	F	92.3	Very high	91.9	Very high	13 Å²	13	64.8 Å²	64.8	6%	0.057	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	109	-178.7	-165.7	-105.1	0	0	0	110.6	C358 F359 R373 A376 L380 L387 S389 V395	C358-F393 CarbonylContact C-O 3.5Å; C358-F393 WeakPolarHBondContact CA-O 3.35Å; C358-F393 HydrophobicContact CB-CB 4.35Å; C358-F393 HydrophobicContact CB-CD1 3.95Å; F359-F393 PolarHBondContact N-O 3.05Å; R373-F393 VanDerWaalsContact NH1-CG 3.27Å; A376-F393 HydrophobicContact CB-CD1 3.96Å; A376-F393 HydrophobicContact CB-CE1 3.73Å; L380-F393 HydrophobicContact CD1-CE1 4.45Å; L380-F393 HydrophobicContact CD1-CZ 3.87Å; L387-F393 HydrophobicContact CD1-CD2 3.91Å; L387-F393 HydrophobicContact CD1-CE1 4.47Å; L387-F393 HydrophobicContact CD1-CE2 3.36Å; L387-F393 HydrophobicContact CD1-CZ 3.71Å; L387-F393 HydrophobicContact CD2-CE2 4.47Å; S389-F393 WeakPolarHBondContact O-CA 3.25Å; F393-V395 HydrophobicContact CD1-CG2 4.25Å; F393-V395 HydrophobicContact CE1-CG2 3.69Å; F393-V395 HydrophobicContact CZ-CG2 4.24Å
394	V	94.6	Very high	91.4	Very high	13 Å²	13	66.4 Å²	66.4	8%	0.079	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.9	-176.6	-173.9	0	0	0	0	110.5	F359 V388 S389 P392	F359-V394 HydrophobicContact CB-CG1 4.32Å; F359-V394 HydrophobicContact CB-CG2 4.17Å; F359-V394 WeakPolarHBondContact O-CA 3.36Å; V388-V394 HydrophobicContact CB-CB 4.32Å; V388-V394 HydrophobicContact CB-CG1 4.24Å; V388-V394 PolarHBondContact N-O 3.13Å; S389-V394 PolarHBondContact N-O 2.89Å; S389-V394 PolarHBondContact O-N 2.71Å; P392-V394 HydrophobicContact CG-CG2 4.25Å; P392-V394 WeakPolarHBondContact O-CG2 3.39Å; P392-V394 PolarHBondContact O-N 3.39Å; P392-V394 VanDerWaalsContact O-N 3.14Å
395	V	95.8	Very high	90.8	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.6	173.2	176.3	0	0	0	0	109.5	F359 L360 H361 A376 L380 E386 L387 F393	F359-V395 PolarHBondContact O-N 3.48Å; L360-V395 WeakPolarHBondContact CA-O 3.34Å; L360-V395 HydrophobicContact CD2-CB 4.1Å; L360-V395 HydrophobicContact CD2-CG1 4.34Å; H361-V395 PolarHBondContact N-O 2.94Å; A376-V395 HydrophobicContact CB-CG2 4.01Å; L380-V395 HydrophobicContact CD1-CG2 3.99Å; L380-V395 HydrophobicContact CD2-CB 4.48Å; L380-V395 HydrophobicContact CD2-CG1 3.75Å; L380-V395 HydrophobicContact CD2-CG2 3.96Å; L380-V395 HydrophobicContact CG-CG1 4.19Å; L380-V395 HydrophobicContact CG-CG2 3.96Å; E386-V395 CarbonylContact O-C 3.51Å; E386-V395 WeakPolarHBondContact O-CA 3.43Å; L387-V395 HydrophobicContact CD1-CG2 4.47Å; F393-V395 HydrophobicContact CD1-CG2 4.25Å; F393-V395 HydrophobicContact CE1-CG2 3.69Å; F393-V395 HydrophobicContact CZ-CG2 4.24Å
396	K	95.8	Very high	89.9	Confident	60 Å²	60	69.9 Å²	69.9	26%	0.261	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	127.7	177.2	179.5	-178.9	-179.4	-175.9	0	109.6	P363 G385 E386 V388	P363-K396 VanDerWaalsContact C-CE 3.41Å; P363-K396 WeakPolarHBondContact O-CE 3.28Å; P363-K396 PolarHBondContact O-NZ 3.17Å; G385-K396 CarbonylContact C-O 3.55Å; G385-K396 WeakPolarHBondContact CA-O 3.44Å; E386-K396 PolarHBondContact N-O 3.22Å; E386-K396 PolarHBondContact O-N 3.3Å; V388-K396 HydrophobicContact CG2-CB 3.5Å; V388-K396 VanDerWaalsContact CG2-CB 3.5Å; V388-K396 HydrophobicContact CG2-CD 4.26Å; V388-K396 HydrophobicContact CG2-CG 4.5Å
397	L	95.6	Very high	88.9	Confident	6 Å²	6	67.8 Å²	67.8	3%	0.031	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	143.9	176	-59.2	-177.9	0	0	0	110.5	L360 H361 P363 L368 Y379 F399 P401	L360-L397 HydrophobicContact CD2-CD2 4.26Å; H361-L397 PolarHBondContact O-N 3.24Å; P363-L397 WeakPolarHBondContact CG-O 3.39Å; L368-L397 HydrophobicContact CD1-CD1 3.73Å; L368-L397 HydrophobicContact CD1-CG 4.49Å; Y379-L397 HydrophobicContact CD1-CD2 3.54Å; Y379-L397 HydrophobicContact CD2-CD2 4.17Å; Y379-L397 HydrophobicContact CE1-CD2 3.75Å; Y379-L397 HydrophobicContact CE2-CD2 4.34Å; Y379-L397 HydrophobicContact CG-CD2 3.78Å; L397-F399 HydrophobicContact CB-CD1 4.39Å; L397-F399 HydrophobicContact CB-CE1 4.26Å; L397-F399 HydrophobicContact CD1-CE1 4.36Å; L397-F399 HydrophobicContact CD1-CE2 4.48Å; L397-F399 HydrophobicContact CD1-CZ 4.03Å; L397-F399 HydrophobicContact CD2-CE1 4.04Å; L397-F399 HydrophobicContact CD2-CZ 4.34Å; L397-F399 HydrophobicContact CG-CE1 4.45Å; L397-P401 HydrophobicContact CD1-CB 4.46Å
398	Q	93.8	Very high	87.6	Confident	118 Å²	118	73.2 Å²	73.2	55%	0.551	41%	0.406	S	S	*	.	S	Bend	trans	-93.5	2.7	175.8	-64.5	-177.2	-7.5	0	0	113.2	G383 I384	G383-Q398 PolarHBondContact O-OE1 3.27Å; I384-Q398 PolarHBondContact O-N 3.16Å
399	F	93.1	Very high	86.6	Confident	84 Å²	84	73.2 Å²	73.2	37%	0.368	41%	0.406	S	S	.	.	S	Bend	trans	-133.2	158.3	-179.4	67.3	-86	0	0	0	110.6	P363 Y379 I384 L397 P401	P363-F399 WeakPolarHBondContact CD-O 3.22Å; P363-F399 VanDerWaalsContact CG-O 3.31Å; P363-F399 WeakPolarHBondContact CG-O 3.41Å; Y379-F399 HydrophobicContact CD1-CE1 4.29Å; Y379-F399 HydrophobicContact CE1-CE1 4.22Å; Y379-F399 HydrophobicContact CE1-CZ 4.06Å; I384-F399 HydrophobicContact CB-CD1 4.2Å; I384-F399 HydrophobicContact CB-CE1 4.27Å; I384-F399 HydrophobicContact CD1-CE1 4.04Å; I384-F399 HydrophobicContact CG1-CE1 4.37Å; L397-F399 HydrophobicContact CB-CD1 4.39Å; L397-F399 HydrophobicContact CB-CE1 4.26Å; L397-F399 HydrophobicContact CD1-CE1 4.36Å; L397-F399 HydrophobicContact CD1-CE2 4.48Å; L397-F399 HydrophobicContact CD1-CZ 4.03Å; L397-F399 HydrophobicContact CD2-CE1 4.04Å; L397-F399 HydrophobicContact CD2-CZ 4.34Å; L397-F399 HydrophobicContact CG-CE1 4.45Å; F399-P401 WeakPolarHBondContact O-CD 3.25Å
400	E	91.8	Very high	86.1	Confident	111 Å²	111	72 Å²	72	52%	0.519	40%	0.396	S	S	.	.			trans	-73.4	121	-179.9	-174.9	55.5	-150	0	0	111	R404	E400-R404 VanDerWaalsContact CD-NH2 3.3Å; E400-R404 IonicContact OE1-CZ 2.7Å; E400-R404 VanDerWaalsContact OE1-CZ 3.23Å; E400-R404 IonicContact OE1-NE 3.23Å; E400-R404 PolarHBondContact OE1-NE 3.2Å; E400-R404 IonicContact OE1-NH2 2.87Å; E400-R404 PolarHBondContact OE1-NH2 2.95Å; E400-R404 IonicContact OE2-CZ 3.63Å; E400-R404 IonicContact OE2-NH2 3.55Å; E400-R404 PolarHBondContact OE2-NH2 3.35Å
401	P	89.2	Confident	85.9	Confident	19 Å²	19	67.3 Å²	67.3	12%	0.123	37%	0.367	C	S	.	.			trans	-72.5	145.3	-179	30.8	-37.3	0	0	0	111.9	A362 L368 L397 F399 G403 R404	A362-P401 HydrophobicContact CB-CG 4.49Å; L368-P401 HydrophobicContact CD1-CB 4.07Å; L368-P401 HydrophobicContact CD1-CG 3.84Å; L368-P401 HydrophobicContact CD2-CG 3.91Å; L397-P401 HydrophobicContact CD1-CB 4.46Å; F399-P401 WeakPolarHBondContact O-CD 3.25Å; P401-G403 PolarHBondContact O-N 3.33Å; P401-R404 HydrophobicContact CG-CG 4.13Å
402	S	80.9	Confident	85.9	Confident	140 Å²	140	61.8 Å²	61.8	98%	0.979	34%	0.336	S	S	*	.	S	Bend	trans	-66.3	-2.7	179.2	-41.7	0	0	0	0	115.1
403	G	79.8	Confident	85.8	Confident	56 Å²	56	59.9 Å²	59.9	58%	0.577	32%	0.321	S	S	*	.			trans	-164.9	142.7	178.2	0	0	0	0	0	111.1	P401	P401-G403 PolarHBondContact O-N 3.33Å
404	R	84.6	Confident	85.5	Confident	83 Å²	83	60.9 Å²	60.9	31%	0.313	33%	0.329	S	S	.	.			trans	-125.2	154.7	179.8	-68.9	173.6	170.2	-119.1	10.1	110	D364 L368 E400 P401 E406	D364-R404 IonicContact OD1-NH1 3.45Å; D364-R404 IonicContact OD2-CZ 3.14Å; D364-R404 VanDerWaalsContact OD2-CZ 3.25Å; D364-R404 IonicContact OD2-NH1 2.71Å; D364-R404 PolarHBondContact OD2-NH1 2.83Å; D364-R404 IonicContact OD2-NH2 2.65Å; D364-R404 PolarHBondContact OD2-NH2 3.02Å; L368-R404 HydrophobicContact CD2-CB 4.5Å; L368-R404 HydrophobicContact CD2-CG 4.07Å; E400-R404 VanDerWaalsContact CD-NH2 3.3Å; E400-R404 IonicContact OE1-CZ 2.7Å; E400-R404 VanDerWaalsContact OE1-CZ 3.23Å; E400-R404 IonicContact OE1-NE 3.23Å; E400-R404 PolarHBondContact OE1-NE 3.2Å; E400-R404 IonicContact OE1-NH2 2.87Å; E400-R404 PolarHBondContact OE1-NH2 2.95Å; E400-R404 IonicContact OE2-CZ 3.63Å; E400-R404 IonicContact OE2-NH2 3.55Å; E400-R404 PolarHBondContact OE2-NH2 3.35Å; P401-R404 HydrophobicContact CG-CG 4.13Å; R404-E406 PolarHBondContact O-N 3.46Å
405	P	81.9	Confident	85.3	Confident	19 Å²	19	65 Å²	65	12%	0.123	35%	0.354	C	S	.	.			trans	-62.5	132.6	172.6	-21.5	33.8	0	0	0	111.7	L368 S407 D410 L413	L368-P405 WeakPolarHBondContact O-CG 3.43Å; P405-S407 VanDerWaalsContact C-N 3.29Å; P405-D410 HydrophobicContact CB-CB 4.49Å; P405-L413 HydrophobicContact CB-CD1 4.21Å; P405-L413 HydrophobicContact CG-CD1 4.25Å; P405-L413 HydrophobicContact CG-CD2 4.2Å; P405-L413 HydrophobicContact CG-CG 4.38Å
406	E	74.8	Confident	85	Confident	119 Å²	119	65.7 Å²	65.7	56%	0.556	36%	0.357	S	S	*	.	S	Bend	trans	-74.8	-19	172.9	-77	171.9	-128.8	0	0	112.7	R404 K607 R610	R404-E406 PolarHBondContact O-N 3.46Å; E406-K607 WeakPolarHBondContact OE1-CD 3.39Å; E406-K607 VanDerWaalsContact OE1-CE 3.23Å; E406-K607 WeakPolarHBondContact OE1-CE 3.5Å; E406-K607 VanDerWaalsContact OE1-CG 3.31Å; E406-K607 WeakPolarHBondContact OE1-CG 3.45Å; E406-R610 IonicContact OE1-NH2 2.64Å; E406-R610 IonicContact OE2-CZ 3.29Å; E406-R610 IonicContact OE2-NH1 3.93Å; E406-R610 PolarHBondContact OE2-NH1 3.47Å; E406-R610 IonicContact OE2-NH2 3.61Å; E406-R610 PolarHBondContact OE2-NH2 2.96Å
407	S	75.3	Confident	84.7	Confident	60 Å²	60	68 Å²	68	42%	0.42	37%	0.368	S	S	.	.	S	Bend	trans	-131.1	147.6	-173.7	174.6	0	0	0	0	110.1	P405 V409	P405-S407 VanDerWaalsContact C-N 3.29Å; S407-V409 WeakPolarHBondContact CB-O 3.5Å; S407-V409 PolarHBondContact O-N 2.83Å; S407-V409 PolarHBondContact OG-N 2.63Å; S407-V409 PolarHBondContact OG-O 2.71Å
408	Q	68.4	Low	84.5	Confident	194 Å²	194	69.3 Å²	69.3	91%	0.907	38%	0.376	S	S	*	.	S	Bend	trans	-68.5	-23.1	169.1	-65.2	-176.5	-5.7	0	0	112.1
409	V	71.9	Confident	84.4	Confident	87 Å²	87	64 Å²	64	53%	0.527	35%	0.351	S	S	.	.	S	Bend	trans	-110.3	101.3	173	-174.3	0	0	0	0	107.8	S407 Q598	S407-V409 WeakPolarHBondContact CB-O 3.5Å; S407-V409 PolarHBondContact O-N 2.83Å; S407-V409 PolarHBondContact OG-N 2.63Å; S407-V409 PolarHBondContact OG-O 2.71Å; V409-Q598 HydrophobicContact CG1-CG 4.13Å
410	D	83.1	Confident	84.4	Confident	14 Å²	14	60 Å²	60	8%	0.075	33%	0.333	C	S	.	.			trans	-138.9	144.8	179.4	-173.1	-63.2	0	0	0	109.6	P405 Y412 L413 H603 K607	P405-D410 HydrophobicContact CB-CB 4.49Å; D410-Y412 PolarHBondContact O-N 3.17Å; D410-Y412 VanDerWaalsContact O-N 3.12Å; D410-Y412 WeakPolarHBondContact OD1-CD2 3.4Å; D410-Y412 PolarHBondContact OD1-N 3.36Å; D410-L413 HydrophobicContact CB-CD1 4.21Å; D410-L413 HydrophobicContact CB-CG 4.34Å; D410-L413 PolarHBondContact O-N 3.11Å; D410-H603 IonicContact OD1-NE2 2.68Å; D410-K607 IonicContact OD2-NZ 3.49Å; D410-K607 PolarHBondContact OD2-NZ 3.28Å
411	Y	86.1	Confident	84.6	Confident	3 Å²	3	55 Å²	55	1%	0.012	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-31.9	178.7	175.8	-93.3	0	0	0	113.5	L413 T414 K416 S452 H453 P596 Q598 W599	Y411-L413 VanDerWaalsContact C-N 3.32Å; Y411-L413 PolarHBondContact O-N 3.19Å; Y411-T414 PolarHBondContact O-OG1 3.43Å; Y411-T414 VanDerWaalsContact O-OG1 3.06Å; Y411-K416 WeakPolarHBondContact O-CE 3.29Å; Y411-K416 PolarHBondContact O-NZ 2.93Å; Y411-S452 PolarHBondContact OH-O 3Å; Y411-S452 VanDerWaalsContact OH-O 3.12Å; Y411-H453 AromaticContact CD1-ND1 3.75Å; Y411-H453 AromaticContact CD2-ND1 3.94Å; Y411-H453 HydrophobicContact CE1-CB 4.31Å; Y411-H453 AromaticContact CE1-ND1 3.96Å; Y411-H453 AromaticContact CG-ND1 3.73Å; Y411-P596 HydrophobicContact CD2-CB 4.38Å; Y411-P596 HydrophobicContact CE2-CB 3.87Å; Y411-P596 HydrophobicContact CE2-CG 4.11Å; Y411-Q598 HydrophobicContact CD2-CB 4.36Å; Y411-W599 HydrophobicContact CD2-CB 4.42Å; Y411-W599 HydrophobicContact CE2-CB 4.2Å; Y411-W599 AromaticContact CE2-CD1 3.94Å
412	Y	87.2	Confident	84.7	Confident	27 Å²	27	55.1 Å²	55.1	11%	0.106	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-23.7	179.4	-60.9	-66.7	0	0	0	113.2	C369 T370 D410 H450 S452 H603	C369-Y412 CarbonylContact C-O 3.45Å; C369-Y412 WeakPolarHBondContact CA-O 3.26Å; T370-Y412 PolarHBondContact N-O 2.68Å; T370-Y412 PolarHBondContact OG1-O 3.15Å; D410-Y412 PolarHBondContact O-N 3.17Å; D410-Y412 VanDerWaalsContact O-N 3.12Å; D410-Y412 WeakPolarHBondContact OD1-CD2 3.4Å; D410-Y412 PolarHBondContact OD1-N 3.36Å; Y412-H450 HydrophobicContact CE2-CB 4.48Å; Y412-H450 AromaticContact CE2-CD2 3.57Å; Y412-H450 AromaticContact CZ-CD2 3.75Å; Y412-H450 WeakPolarHBondContact OH-CB 3.29Å; Y412-H450 PolarHBondContact OH-O 3.24Å; Y412-S452 WeakPolarHBondContact CE1-OG 3.22Å; Y412-H603 AromaticContact CE2-NE2 3.38Å; Y412-H603 WeakPolarHBondContact CE2-NE2 3.39Å
413	L	87	Confident	85.1	Confident	31 Å²	31	50.9 Å²	50.9	16%	0.162	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-21.5	-178.9	-61.4	177.1	0	0	0	113.5	P367 L368 P405 D410 Y411	P367-L413 HydrophobicContact CB-CD2 3.82Å; L368-L413 WeakPolarHBondContact O-CD2 3.47Å; P405-L413 HydrophobicContact CB-CD1 4.21Å; P405-L413 HydrophobicContact CG-CD1 4.25Å; P405-L413 HydrophobicContact CG-CD2 4.2Å; P405-L413 HydrophobicContact CG-CG 4.38Å; D410-L413 HydrophobicContact CB-CD1 4.21Å; D410-L413 HydrophobicContact CB-CG 4.34Å; D410-L413 PolarHBondContact O-N 3.11Å; Y411-L413 VanDerWaalsContact C-N 3.32Å; Y411-L413 PolarHBondContact O-N 3.19Å
414	T	86.3	Confident	85.6	Confident	35 Å²	35	49 Å²	49	22%	0.215	26%	0.261	C	S	.	.	S	Bend	trans	-74.6	137.7	-176.7	57.9	0	0	0	0	113.1	T370 Y411 K416 Q598	T370-T414 PolarHBondContact OG1-O 2.86Å; Y411-T414 PolarHBondContact O-OG1 3.43Å; Y411-T414 VanDerWaalsContact O-OG1 3.06Å; T414-K416 PolarHBondContact O-NZ 3.33Å; T414-K416 PolarHBondContact OG1-NZ 3.19Å; T414-Q598 HydrophobicContact CG2-CG 3.94Å
415	V	88.3	Confident	85.7	Confident	99 Å²	99	50 Å²	50	60%	0.6	27%	0.267	S	S	*	.			trans	-65.9	135.9	167.6	175.9	0	0	0	0	109.2	N357 F359	N357-V415 HydrophobicContact CB-CG1 4.14Å; F359-V415 HydrophobicContact CE2-CG2 4.41Å; F359-V415 HydrophobicContact CZ-CG2 3.78Å
416	K	89.9	Confident	85.9	Confident	14 Å²	14	56.1 Å²	56.1	6%	0.061	29%	0.288	C	S	.	.			trans	-117.6	134.2	-176.4	-68.2	165	-168.2	65	0	111.4	Y355 N357 T370 Y411 T414	Y355-K416 WeakPolarHBondContact CB-O 3.35Å; Y355-K416 HydrophobicContact CD1-CB 3.97Å; Y355-K416 HydrophobicContact CD1-CD 4.06Å; Y355-K416 HydrophobicContact CD2-CB 3.59Å; Y355-K416 HydrophobicContact CE1-CB 4.27Å; Y355-K416 HydrophobicContact CE1-CD 3.85Å; Y355-K416 HydrophobicContact CE2-CB 3.91Å; Y355-K416 HydrophobicContact CG-CB 3.62Å; N357-K416 PolarHBondContact ND2-O 3.42Å; N357-K416 PolarHBondContact OD1-N 3.45Å; T370-K416 PolarHBondContact OG1-NZ 3.45Å; Y411-K416 WeakPolarHBondContact O-CE 3.29Å; Y411-K416 PolarHBondContact O-NZ 2.93Å; T414-K416 PolarHBondContact O-NZ 3.33Å; T414-K416 PolarHBondContact OG1-NZ 3.19Å
417	E	90.3	Very high	86.1	Confident	109 Å²	109	58 Å²	58	51%	0.509	30%	0.297	S	S	.	.			trans	-78.1	143.8	177.5	-70.6	-153.3	86.6	0	0	112.8	Y355 L419 R426	Y355-E417 WeakPolarHBondContact CD2-O 3.35Å; E417-L419 VanDerWaalsContact C-N 3.3Å; E417-L419 HydrophobicContact CB-CD2 3.87Å; E417-L419 HydrophobicContact CB-CG 3.79Å; E417-L419 HydrophobicContact CG-CD2 4.47Å; E417-L419 PolarHBondContact O-N 3Å; E417-L419 VanDerWaalsContact O-N 3.08Å; E417-L419 WeakPolarHBondContact OE2-CD2 3.45Å; E417-R426 IonicContact OE1-CZ 3.25Å; E417-R426 IonicContact OE1-NH1 2.68Å; E417-R426 PolarHBondContact OE1-NH1 2.83Å; E417-R426 IonicContact OE1-NH2 2.96Å; E417-R426 PolarHBondContact OE1-NH2 3.29Å; E417-R426 IonicContact OE2-NH2 2.84Å
418	N	90.8	Very high	86.2	Confident	34 Å²	34	58.1 Å²	58.1	18%	0.182	30%	0.298	C	S	.	.	S	Bend	trans	-86.2	66.9	176.1	-73.8	-74.1	0	0	0	111.6	P353 L354 Y355 Y429	P353-N418 HydrophobicContact CB-CB 4.42Å; P353-N418 WeakPolarHBondContact CB-ND2 3.43Å; L354-N418 WeakPolarHBondContact CA-OD1 3.29Å; L354-N418 PolarHBondContact N-OD1 3.27Å; Y355-N418 PolarHBondContact N-OD1 3.23Å; Y355-N418 PolarHBondContact O-ND2 3.3Å; N418-Y429 HydrophobicContact CB-CE1 4.33Å; N418-Y429 VanDerWaalsContact O-CE1 3.26Å; N418-Y429 WeakPolarHBondContact O-CE1 3.37Å
419	L	92.1	Very high	87	Confident	6 Å²	6	49.8 Å²	49.8	3%	0.031	26%	0.258	C	S	.	.	S	Bend	trans	-136.9	165.9	-179.7	57	71.2	0	0	0	112.4	E417 V421 K425 R426 L457 Y594	E417-L419 VanDerWaalsContact C-N 3.3Å; E417-L419 HydrophobicContact CB-CD2 3.87Å; E417-L419 HydrophobicContact CB-CG 3.79Å; E417-L419 HydrophobicContact CG-CD2 4.47Å; E417-L419 PolarHBondContact O-N 3Å; E417-L419 VanDerWaalsContact O-N 3.08Å; E417-L419 WeakPolarHBondContact OE2-CD2 3.45Å; L419-V421 PolarHBondContact O-N 3.05Å; L419-K425 CarbonylContact C-O 3.53Å; L419-K425 WeakPolarHBondContact CA-O 3.13Å; L419-R426 HydrophobicContact CB-CG 4.07Å; L419-L457 WeakPolarHBondContact O-CB 3.37Å; L419-Y594 VanDerWaalsContact CD1-CB 3.49Å; L419-Y594 HydrophobicContact CD1-CG 4.17Å; L419-Y594 HydrophobicContact CD2-CD1 4.38Å
420	C	92.8	Very high	87.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.238	C	C	.	.			trans	-71.9	116.2	170.3	175.7	0	0	0	0	110.7	V422 C423 G424 K425 L457 C459	C420-V422 PolarHBondContact O-N 3.01Å; C420-C423 PolarHBondContact O-N 2.86Å; C420-G424 WeakPolarHBondContact O-CA 3.39Å; C420-G424 PolarHBondContact O-N 3.46Å; C420-K425 HydrophobicContact CB-CB 4.28Å; C420-K425 PolarHBondContact N-O 3.18Å; C420-L457 CarbonylContact C-O 3.46Å; C420-L457 WeakPolarHBondContact CA-O 3.25Å; C420-C459 HydrophobicContact CB-CB 3.98Å; C420-C459 PolarHBondContact SG-N 3.25Å
421	V	95.3	Very high	88.1	Confident	7 Å²	7	53 Å²	53	4%	0.042	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-19.6	-177.1	-56	0	0	0	0	114.1	L419 L456 L457 L458 F586 P592 K593 Y594 L595	L419-V421 PolarHBondContact O-N 3.05Å; V421-L456 HydrophobicContact CG1-CB 4.33Å; V421-L456 HydrophobicContact CG2-CB 4.24Å; V421-L456 HydrophobicContact CG2-CD1 4.22Å; V421-L457 PolarHBondContact N-O 3.43Å; V421-L458 HydrophobicContact CG2-CD2 3.92Å; V421-F586 HydrophobicContact CG2-CE1 4.3Å; V421-F586 HydrophobicContact CG2-CZ 3.82Å; V421-P592 HydrophobicContact CG2-CB 4.37Å; V421-P592 CarbonylContact O-C 3.57Å; V421-P592 WeakPolarHBondContact O-CB 3.46Å; V421-K593 PolarHBondContact O-N 3Å; V421-K593 VanDerWaalsContact O-N 3.14Å; V421-Y594 WeakPolarHBondContact CA-O 3.44Å; V421-Y594 WeakPolarHBondContact CB-O 3.44Å; V421-Y594 CarbonylContact O-C 3.49Å; V421-Y594 WeakPolarHBondContact O-CA 3.49Å; V421-Y594 PolarHBondContact O-N 3.06Å; V421-L595 HydrophobicContact CB-CD1 4.48Å
422	V	92.8	Very high	88.5	Confident	20 Å²	20	53.3 Å²	53.3	12%	0.121	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-49.9	178.3	174.6	0	0	0	0	112.6	C420 L458 C462 F586 M590 P592	C420-V422 PolarHBondContact O-N 3.01Å; V422-L458 HydrophobicContact CB-CD2 4.23Å; V422-L458 HydrophobicContact CG2-CD2 3.5Å; V422-C462 HydrophobicContact CB-CB 4.21Å; V422-C462 HydrophobicContact CG1-CB 4.41Å; V422-F586 HydrophobicContact CG2-CE2 4.42Å; V422-F586 HydrophobicContact CG2-CZ 4.13Å; V422-M590 HydrophobicContact CG1-CE 4.2Å; V422-M590 WeakPolarHBondContact CG1-O 3.49Å; V422-M590 HydrophobicContact CG2-CB 3.86Å; V422-M590 HydrophobicContact CG2-CE 3.98Å; V422-P592 HydrophobicContact CG2-CB 4.22Å
423	C	88.4	Confident	88.8	Confident	51 Å²	51	55 Å²	55	35%	0.345	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	4.1	-167.8	67.8	0	0	0	0	115.5	C420 K425	C420-C423 PolarHBondContact O-N 2.86Å; C423-K425 PolarHBondContact O-N 2.82Å; C423-K425 VanDerWaalsContact O-N 3.16Å
424	G	90.2	Very high	89.2	Confident	16 Å²	16	53.7 Å²	53.7	17%	0.165	27%	0.266	C	S	.	.			trans	75	-2.8	176.1	0	0	0	0	0	115.6	C420 R426 Y594	C420-G424 WeakPolarHBondContact O-CA 3.39Å; C420-G424 PolarHBondContact O-N 3.46Å; G424-R426 PolarHBondContact O-N 3.05Å; G424-Y594 VanDerWaalsContact CA-CE2 3.44Å; G424-Y594 VanDerWaalsContact N-CD2 3.3Å; G424-Y594 VanDerWaalsContact N-CE2 3.33Å
425	K	87	Confident	89.6	Confident	104 Å²	104	52 Å²	52	45%	0.452	26%	0.256	S	S	.	.			trans	-56.5	121.3	177.2	-77.9	-173.4	178.4	-176.5	0	111.3	L419 C420 C423 E427 C459	L419-K425 CarbonylContact C-O 3.53Å; L419-K425 WeakPolarHBondContact CA-O 3.13Å; C420-K425 HydrophobicContact CB-CB 4.28Å; C420-K425 PolarHBondContact N-O 3.18Å; C423-K425 PolarHBondContact O-N 2.82Å; C423-K425 VanDerWaalsContact O-N 3.16Å; K425-E427 VanDerWaalsContact C-N 3.34Å; K425-C459 HydrophobicContact CB-CB 4.17Å; K425-C459 HydrophobicContact CD-CB 4.13Å
426	R	86.6	Confident	89.9	Confident	149 Å²	149	47.8 Å²	47.8	56%	0.562	23%	0.231	S	C	*	.			trans	-87.2	2.5	179.4	-64.3	-179.4	-179.9	-88.8	-7.9	114.1	E417 L419 G424 Y429	E417-R426 IonicContact OE1-CZ 3.25Å; E417-R426 IonicContact OE1-NH1 2.68Å; E417-R426 PolarHBondContact OE1-NH1 2.83Å; E417-R426 IonicContact OE1-NH2 2.96Å; E417-R426 PolarHBondContact OE1-NH2 3.29Å; E417-R426 IonicContact OE2-NH2 2.84Å; L419-R426 HydrophobicContact CB-CG 4.07Å; G424-R426 PolarHBondContact O-N 3.05Å; R426-Y429 WeakPolarHBondContact O-CE1 3.38Å
427	E	77.6	Confident	89.9	Confident	157 Å²	157	52.7 Å²	52.7	73%	0.734	25%	0.254	S	S	*	.	S	Bend	trans	-124.8	151.9	-177.9	-65.4	-176.9	-172	0	0	112.2	K425 Y429	K425-E427 VanDerWaalsContact C-N 3.34Å; E427-Y429 PolarHBondContact O-N 2.94Å
428	S	79.1	Confident	89.7	Confident	64 Å²	64	50.7 Å²	50.7	45%	0.448	24%	0.244	S	C	.	.	S	Bend	trans	53.2	45.5	172.4	-61.1	0	0	0	0	115.4	T460	S428-T460 PolarHBondContact O-N 3.39Å
429	Y	85.1	Confident	89.8	Confident	19 Å²	19	49.1 Å²	49.1	8%	0.075	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	157.3	175.1	48.6	-105.6	0	0	0	114.1	R350 P353 N418 R426 E427 L457 L458	R350-Y429 HydrophobicContact CB-CD2 4.25Å; R350-Y429 HydrophobicContact CB-CE2 4.03Å; R350-Y429 PolarHBondContact N-O 3.37Å; R350-Y429 VanDerWaalsContact N-O 3.08Å; P353-Y429 WeakPolarHBondContact CA-OH 3.37Å; N418-Y429 HydrophobicContact CB-CE1 4.33Å; N418-Y429 VanDerWaalsContact O-CE1 3.26Å; N418-Y429 WeakPolarHBondContact O-CE1 3.37Å; R426-Y429 WeakPolarHBondContact O-CE1 3.38Å; E427-Y429 PolarHBondContact O-N 2.94Å; Y429-L457 HydrophobicContact CD2-CD1 4.01Å; Y429-L457 HydrophobicContact CD2-CD2 3.64Å; Y429-L457 HydrophobicContact CD2-CG 4.38Å; Y429-L457 HydrophobicContact CE2-CD1 4.24Å; Y429-L457 HydrophobicContact CE2-CD2 4.34Å; Y429-L457 HydrophobicContact CG-CD1 4.26Å; Y429-L457 HydrophobicContact CG-CD2 4.23Å; Y429-L458 CarbonylContact C-O 3.5Å; Y429-L458 VanDerWaalsContact CA-O 3.28Å; Y429-L458 WeakPolarHBondContact CA-O 3.49Å
430	I	87.9	Confident	89.8	Confident	21 Å²	21	49.5 Å²	49.5	11%	0.108	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	146.6	-176.3	-57	163.8	0	0	0	107.3	Y347 K432 L458 T460 H463	Y347-I430 HydrophobicContact CD1-CD1 4.03Å; Y347-I430 HydrophobicContact CG-CD1 3.88Å; I430-K432 PolarHBondContact O-N 3.25Å; I430-L458 PolarHBondContact N-O 3.19Å; I430-L458 PolarHBondContact O-N 3.42Å; I430-T460 HydrophobicContact CD1-CG2 3.95Å; I430-H463 HydrophobicContact CD1-CB 4.21Å
431	R	90.5	Very high	89.7	Confident	148 Å²	148	56.4 Å²	56.4	56%	0.558	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	120.1	168.8	-80	-178.1	-74.3	175.8	0.1	110	L354 V455 L457	L354-R431 HydrophobicContact CD1-CG 4.23Å; L354-R431 HydrophobicContact CD2-CG 3.78Å; R431-V455 HydrophobicContact CB-CG1 4.12Å; R431-V455 HydrophobicContact CG-CG1 3.9Å; R431-L457 HydrophobicContact CG-CD2 4.42Å
432	K	92.6	Very high	89.5	Confident	9 Å²	9	57.5 Å²	57.5	4%	0.039	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.9	170.4	178.3	71.6	-172.6	-155.1	0	108.8	I430 I434 V455 L456 L458 S466 N467 D470	I430-K432 PolarHBondContact O-N 3.25Å; K432-I434 HydrophobicContact CG-CD1 3.89Å; K432-V455 WeakPolarHBondContact O-CA 3.34Å; K432-L456 PolarHBondContact N-O 3Å; K432-L456 PolarHBondContact O-N 3.24Å; K432-L458 HydrophobicContact CB-CD1 3.76Å; K432-L458 HydrophobicContact CB-CG 3.99Å; K432-L458 HydrophobicContact CD-CD1 4.16Å; K432-L458 HydrophobicContact CG-CD1 3.73Å; K432-L458 HydrophobicContact CG-CG 4.45Å; K432-S466 VanDerWaalsContact CE-OG 3.27Å; K432-S466 WeakPolarHBondContact CE-OG 3.44Å; K432-S466 PolarHBondContact NZ-OG 2.95Å; K432-N467 PolarHBondContact NZ-OD1 3.05Å; K432-D470 VanDerWaalsContact CE-OD2 3.3Å; K432-D470 WeakPolarHBondContact CE-OD2 3.32Å; K432-D470 VanDerWaalsContact NZ-CG 3.32Å; K432-D470 IonicContact NZ-OD1 3.55Å; K432-D470 IonicContact NZ-OD2 2.71Å; K432-D470 PolarHBondContact NZ-OD2 3.29Å
433	N	94.3	Very high	89.5	Confident	62 Å²	62	56.6 Å²	56.6	33%	0.332	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	119.4	163.1	-54.1	-51.1	0	0	0	107.3	D454	N433-D454 CarbonylContact C-O 3.6Å; N433-D454 VanDerWaalsContact CA-O 3.28Å; N433-D454 WeakPolarHBondContact CA-O 3.49Å
434	I	96	Very high	89.5	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.015	25%	0.248	C	C	.	.	S	Bend	trans	-72.7	-43.8	-179.4	-59.2	-53.5	0	0	0	110.7	K432 P436 D454 L456 R583 F586 W599	K432-I434 HydrophobicContact CG-CD1 3.89Å; I434-P436 WeakPolarHBondContact O-CD 3.47Å; I434-D454 PolarHBondContact N-O 2.84Å; I434-L456 HydrophobicContact CD1-CB 4.3Å; I434-L456 HydrophobicContact CD1-CD1 3.94Å; I434-L456 HydrophobicContact CD1-CG 4.3Å; I434-L456 HydrophobicContact CG1-CB 4.39Å; I434-L456 HydrophobicContact CG1-CD1 3.79Å; I434-L456 HydrophobicContact CG1-CG 3.95Å; I434-R583 HydrophobicContact CG2-CG 4.17Å; I434-F586 HydrophobicContact CD1-CB 4.37Å; I434-F586 HydrophobicContact CD1-CD1 3.83Å; I434-F586 HydrophobicContact CD1-CD2 3.62Å; I434-F586 HydrophobicContact CD1-CE1 3.94Å; I434-F586 HydrophobicContact CD1-CE2 3.74Å; I434-F586 HydrophobicContact CD1-CG 3.66Å; I434-F586 HydrophobicContact CD1-CZ 3.9Å; I434-F586 HydrophobicContact CG1-CD1 4.46Å; I434-F586 HydrophobicContact CG2-CB 3.77Å; I434-F586 HydrophobicContact CG2-CD1 4.44Å; I434-F586 HydrophobicContact CG2-CG 4.16Å; I434-W599 HydrophobicContact CG1-CZ2 4.38Å; I434-W599 HydrophobicContact CG2-CH2 4.47Å; I434-W599 HydrophobicContact CG2-CZ2 4.13Å
435	V	94.8	Very high	89.4	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.006	27%	0.271	C	S	.	.	S	Bend	trans	-88	111.9	163	-176.1	0	0	0	0	106.8	R440 F443 D454 E579 W582 R583	V435-R440 HydrophobicContact CG1-CB 4.37Å; V435-F443 HydrophobicContact CG1-CZ 4.31Å; V435-D454 HydrophobicContact CB-CB 4.46Å; V435-D454 HydrophobicContact CG2-CB 4.36Å; V435-E579 HydrophobicContact CG2-CG 3.8Å; V435-W582 HydrophobicContact CG2-CB 4.11Å; V435-R583 HydrophobicContact CG2-CG 4.25Å
436	P	93.2	Very high	89.3	Confident	9 Å²	9	57.8 Å²	57.8	6%	0.058	26%	0.263	C	S	.	.			trans	-63.8	142.1	-172.2	-24	34.2	0	0	0	112.4	I434 E438 Y439 R440 W582	I434-P436 WeakPolarHBondContact O-CD 3.47Å; P436-E438 HydrophobicContact CB-CG 4.18Å; P436-E438 WeakPolarHBondContact CB-OE1 3.42Å; P436-E438 PolarHBondContact O-N 2.82Å; P436-E438 VanDerWaalsContact O-N 3.08Å; P436-Y439 HydrophobicContact CB-CD2 3.87Å; P436-Y439 HydrophobicContact CB-CE2 4.04Å; P436-Y439 HydrophobicContact CG-CD2 4.05Å; P436-Y439 HydrophobicContact CG-CE2 4Å; P436-Y439 PolarHBondContact O-N 2.86Å; P436-R440 PolarHBondContact O-N 2.99Å; P436-W582 VanDerWaalsContact CD-CE3 3.5Å; P436-W582 HydrophobicContact CG-CD2 3.88Å; P436-W582 HydrophobicContact CG-CE3 3.71Å; P436-W582 HydrophobicContact CG-CH2 3.79Å; P436-W582 HydrophobicContact CG-CZ2 3.92Å; P436-W582 HydrophobicContact CG-CZ3 3.66Å
437	H	89.7	Confident	89.3	Confident	118 Å²	118	51 Å²	51	55%	0.546	24%	0.238	S	C	.	.	H	α-helix	trans	-59.1	-25.2	-177.2	-178.1	-87.3	0	0	0	112.9	Y439 R441	H437-Y439 VanDerWaalsContact C-N 3.26Å; H437-Y439 PolarHBondContact O-N 2.93Å; H437-R441 WeakPolarHBondContact O-CB 3.43Å; H437-R441 VanDerWaalsContact O-CG 3.25Å; H437-R441 WeakPolarHBondContact O-CG 3.42Å; H437-R441 PolarHBondContact O-N 3.45Å; H437-R441 VanDerWaalsContact O-N 3.11Å
438	E	88.1	Confident	89.7	Confident	67 Å²	67	47 Å²	47	31%	0.313	22%	0.218	S	C	.	.	H	α-helix	trans	-63.2	-28	175.8	74.7	-143.2	94.3	0	0	113.6	P436 H442 K474	P436-E438 HydrophobicContact CB-CG 4.18Å; P436-E438 WeakPolarHBondContact CB-OE1 3.42Å; P436-E438 PolarHBondContact O-N 2.82Å; P436-E438 VanDerWaalsContact O-N 3.08Å; E438-H442 PolarHBondContact O-CD2 3.12Å; E438-K474 VanDerWaalsContact OE1-CE 3.28Å; E438-K474 WeakPolarHBondContact OE1-CE 3.49Å; E438-K474 IonicContact OE1-NZ 2.76Å; E438-K474 PolarHBondContact OE1-NZ 3.04Å; E438-K474 WeakPolarHBondContact OE2-CE 3.38Å; E438-K474 IonicContact OE2-NZ 3.25Å; E438-K474 PolarHBondContact OE2-NZ 2.89Å
439	Y	92.7	Very high	89.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-93.5	-49.6	171.9	-50.3	-81.4	0	0	0	110.3	P436 H437 R441 H442 F443 K474 L477 H559 V563 V564 W582	P436-Y439 HydrophobicContact CB-CD2 3.87Å; P436-Y439 HydrophobicContact CB-CE2 4.04Å; P436-Y439 HydrophobicContact CG-CD2 4.05Å; P436-Y439 HydrophobicContact CG-CE2 4Å; P436-Y439 PolarHBondContact O-N 2.86Å; H437-Y439 VanDerWaalsContact C-N 3.26Å; H437-Y439 PolarHBondContact O-N 2.93Å; Y439-R441 PolarHBondContact O-N 2.92Å; Y439-R441 VanDerWaalsContact O-N 3.07Å; Y439-H442 PolarHBondContact O-N 3.4Å; Y439-F443 VanDerWaalsContact O-CD1 3.3Å; Y439-F443 WeakPolarHBondContact O-CD1 3.45Å; Y439-K474 WeakPolarHBondContact OH-CG 3.47Å; Y439-L477 HydrophobicContact CE1-CD1 4.44Å; Y439-H559 AromaticContact CE1-CD2 3.75Å; Y439-H559 AromaticContact CE1-NE2 3.61Å; Y439-H559 AromaticContact CZ-CD2 3.8Å; Y439-H559 AromaticContact CZ-NE2 3.58Å; Y439-H559 PolarHBondContact OH-CD2 2.84Å; Y439-H559 VanDerWaalsContact OH-CD2 3.24Å; Y439-H559 PolarHBondContact OH-NE2 3.27Å; Y439-V563 HydrophobicContact CD1-CB 4.14Å; Y439-V563 HydrophobicContact CD1-CG1 4.17Å; Y439-V563 HydrophobicContact CE1-CB 3.9Å; Y439-V563 HydrophobicContact CE1-CG1 4.01Å; Y439-V563 HydrophobicContact CE1-CG2 4.12Å; Y439-V564 HydrophobicContact CD1-CG2 4.31Å; Y439-W582 HydrophobicContact CD2-CZ2 4.21Å; Y439-W582 AromaticContact CD2-NE1 3.67Å; Y439-W582 AromaticContact CE2-CE2 3.62Å; Y439-W582 HydrophobicContact CE2-CH2 4.34Å; Y439-W582 AromaticContact CE2-CZ2 3.36Å; Y439-W582 HydrophobicContact CE2-CZ2 3.36Å; Y439-W582 AromaticContact CE2-NE1 3.61Å; Y439-W582 AromaticContact CZ-CZ2 3.84Å
440	R	91.8	Very high	89	Confident	15 Å²	15	52.4 Å²	52.4	6%	0.057	24%	0.24	C	C	.	.	H	α-helix	trans	-54.1	-34.4	-174.6	-162.5	77.7	172.9	136.9	6.5	113.2	V435 P436 H442 F443 M447 D449 N451 E579	V435-R440 HydrophobicContact CG1-CB 4.37Å; P436-R440 PolarHBondContact O-N 2.99Å; R440-H442 PolarHBondContact O-N 3.27Å; R440-F443 VanDerWaalsContact NH1-CD2 3.35Å; R440-F443 WeakPolarHBondContact O-CB 3.46Å; R440-F443 PolarHBondContact O-N 2.92Å; R440-M447 PolarHBondContact NH1-O 3.02Å; R440-M447 VanDerWaalsContact NH1-O 3.1Å; R440-M447 PolarHBondContact NH2-O 2.9Å; R440-D449 PolarHBondContact NH2-O 2.94Å; R440-N451 PolarHBondContact NE-OD1 3.45Å; R440-N451 VanDerWaalsContact NE-OD1 3.15Å; R440-E579 IonicContact CZ-OE1 3.23Å; R440-E579 IonicContact NH1-OE1 2.96Å; R440-E579 PolarHBondContact NH1-OE1 2.91Å; R440-E579 IonicContact NH2-OE1 2.71Å
441	R	90.4	Very high	88.6	Confident	145 Å²	145	54 Å²	54	55%	0.547	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.2	176.4	70.9	178.6	-67	-165.5	-2.6	113.9	H437 Y439 K448	H437-R441 WeakPolarHBondContact O-CB 3.43Å; H437-R441 VanDerWaalsContact O-CG 3.25Å; H437-R441 WeakPolarHBondContact O-CG 3.42Å; H437-R441 PolarHBondContact O-N 3.45Å; H437-R441 VanDerWaalsContact O-N 3.11Å; Y439-R441 PolarHBondContact O-N 2.92Å; Y439-R441 VanDerWaalsContact O-N 3.07Å; R441-K448 WeakPolarHBondContact O-CE 3.42Å; R441-K448 PolarHBondContact O-NZ 2.89Å
442	H	91.6	Very high	88.4	Confident	29 Å²	29	50.1 Å²	50.1	13%	0.134	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-2.5	-178.1	-61.7	-61.4	0	0	0	112.8	E438 Y439 R440 L561 V564 L620	E438-H442 PolarHBondContact O-CD2 3.12Å; Y439-H442 PolarHBondContact O-N 3.4Å; R440-H442 PolarHBondContact O-N 3.27Å; H442-L561 HydrophobicContact CB-CD1 4.27Å; H442-L561 PolarHBondContact CD2-N 2.8Å; H442-V564 HydrophobicContact CB-CB 4.06Å; H442-V564 HydrophobicContact CB-CG1 3.92Å; H442-V564 HydrophobicContact CB-CG2 4.28Å; H442-V564 WeakPolarHBondContact O-CG1 3.13Å; H442-L620 WeakPolarHBondContact O-CD2 3.33Å
443	F	91.3	Very high	88.3	Confident	1 Å²	1	49.7 Å²	49.7	0%	0.004	24%	0.243	C	C	.	.	S	Bend	trans	-64.7	157.4	175.8	-80.8	30.8	0	0	0	111.3	V435 Y439 R440 M447 K448 V564 L578 E579	V435-F443 HydrophobicContact CG1-CZ 4.31Å; Y439-F443 VanDerWaalsContact O-CD1 3.3Å; Y439-F443 WeakPolarHBondContact O-CD1 3.45Å; R440-F443 VanDerWaalsContact NH1-CD2 3.35Å; R440-F443 WeakPolarHBondContact O-CB 3.46Å; R440-F443 PolarHBondContact O-N 2.92Å; F443-M447 HydrophobicContact CB-CB 4.37Å; F443-M447 HydrophobicContact CD2-CB 4.03Å; F443-M447 HydrophobicContact CD2-CE 3.92Å; F443-M447 HydrophobicContact CD2-SD 4.13Å; F443-M447 HydrophobicContact CE2-CE 3.88Å; F443-K448 HydrophobicContact CB-CG 4.44Å; F443-K448 WeakPolarHBondContact O-CE 3.35Å; F443-K448 PolarHBondContact O-NZ 3.05Å; F443-V564 HydrophobicContact CD1-CG1 4.21Å; F443-V564 HydrophobicContact CD1-CG2 3.98Å; F443-V564 HydrophobicContact CE1-CG2 3.83Å; F443-L578 HydrophobicContact CE1-CD2 3.98Å; F443-L578 HydrophobicContact CZ-CD2 4.24Å; F443-L578 HydrophobicContact CZ-CG 4.46Å; F443-E579 HydrophobicContact CE2-CB 4.2Å; F443-E579 HydrophobicContact CE2-CG 4.36Å; F443-E579 HydrophobicContact CZ-CB 4.47Å
444	P	90.1	Very high	88.2	Confident	9 Å²	9	46.8 Å²	46.8	6%	0.058	23%	0.227	C	C	.	.			trans	-61.1	153.4	171.1	27.7	-36.9	0	0	0	111.3	Q446 M447 K448 L575 I618	P444-Q446 PolarHBondContact O-N 3.32Å; P444-M447 HydrophobicContact CG-CB 4.19Å; P444-M447 HydrophobicContact CG-CG 3.89Å; P444-M447 HydrophobicContact CG-SD 3.8Å; P444-M447 PolarHBondContact O-N 3.16Å; P444-K448 PolarHBondContact O-N 3.46Å; P444-L575 HydrophobicContact CG-CD1 3.87Å; P444-I618 HydrophobicContact CB-CD1 4.16Å; P444-I618 HydrophobicContact CB-CG2 3.87Å; P444-I618 HydrophobicContact CG-CD1 4Å; P444-I618 HydrophobicContact CG-CG2 3.97Å
445	I	87.4	Confident	88	Confident	127 Å²	127	47.7 Å²	47.7	65%	0.651	23%	0.232	S	C	*	.	H	α-helix	trans	-59.6	-35.4	-175.5	-167.6	166.3	0	0	0	112.4	M447 K448	I445-M447 PolarHBondContact O-N 2.91Å; I445-M447 VanDerWaalsContact O-N 3.13Å; I445-K448 PolarHBondContact O-N 3.23Å
446	Q	85.3	Confident	88	Confident	60 Å²	60	47.6 Å²	47.6	28%	0.28	23%	0.232	S	C	.	.	H	α-helix	trans	-55.4	-29.1	175.4	-63.1	81.2	-7.8	0	0	113	P444 L608 Y612	P444-Q446 PolarHBondContact O-N 3.32Å; Q446-L608 VanDerWaalsContact O-CD2 3.31Å; Q446-L608 WeakPolarHBondContact O-CD2 3.49Å; Q446-Y612 HydrophobicContact CB-CD2 4.28Å; Q446-Y612 HydrophobicContact CB-CE1 4.45Å; Q446-Y612 HydrophobicContact CB-CE2 3.78Å; Q446-Y612 HydrophobicContact CG-CD1 4.11Å; Q446-Y612 HydrophobicContact CG-CD2 4.34Å; Q446-Y612 HydrophobicContact CG-CE1 3.62Å; Q446-Y612 HydrophobicContact CG-CE2 3.88Å; Q446-Y612 HydrophobicContact CG-CG 4.46Å; Q446-Y612 VanDerWaalsContact CG-CZ 3.49Å
447	M	86.7	Confident	88	Confident	6 Å²	6	47.2 Å²	47.2	3%	0.03	23%	0.23	C	C	.	.	H	α-helix	trans	-98.4	-10.9	179.1	-65.9	-178	77.3	0	0	113.5	R440 F443 P444 I445 L572 L575 M576 L608	R440-M447 PolarHBondContact NH1-O 3.02Å; R440-M447 VanDerWaalsContact NH1-O 3.1Å; R440-M447 PolarHBondContact NH2-O 2.9Å; F443-M447 HydrophobicContact CB-CB 4.37Å; F443-M447 HydrophobicContact CD2-CB 4.03Å; F443-M447 HydrophobicContact CD2-CE 3.92Å; F443-M447 HydrophobicContact CD2-SD 4.13Å; F443-M447 HydrophobicContact CE2-CE 3.88Å; P444-M447 HydrophobicContact CG-CB 4.19Å; P444-M447 HydrophobicContact CG-CG 3.89Å; P444-M447 HydrophobicContact CG-SD 3.8Å; P444-M447 PolarHBondContact O-N 3.16Å; I445-M447 PolarHBondContact O-N 2.91Å; I445-M447 VanDerWaalsContact O-N 3.13Å; M447-L572 HydrophobicContact CG-CD1 4.02Å; M447-L572 HydrophobicContact SD-CD1 3.73Å; M447-L575 HydrophobicContact CE-CB 4.16Å; M447-L575 HydrophobicContact SD-CB 3.8Å; M447-L575 HydrophobicContact SD-CD1 4.24Å; M447-M576 HydrophobicContact CE-CG 3.9Å; M447-L608 HydrophobicContact CG-CD1 4.07Å
448	K	85.3	Confident	88.1	Confident	73 Å²	73	41.6 Å²	41.6	32%	0.317	20%	0.204	S	C	.	.	H	α-helix	trans	-77	-20.3	-173.3	-81.3	172.2	168.1	148.5	0	114.3	R441 F443 P444 I445	R441-K448 WeakPolarHBondContact O-CE 3.42Å; R441-K448 PolarHBondContact O-NZ 2.89Å; F443-K448 HydrophobicContact CB-CG 4.44Å; F443-K448 WeakPolarHBondContact O-CE 3.35Å; F443-K448 PolarHBondContact O-NZ 3.05Å; P444-K448 PolarHBondContact O-N 3.46Å; I445-K448 PolarHBondContact O-N 3.23Å
449	D	77	Confident	88.1	Confident	99 Å²	99	38.5 Å²	38.5	53%	0.529	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	167.7	174	-67.7	-29.1	0	0	0	112	R440 N451	R440-D449 PolarHBondContact NH2-O 2.94Å; D449-N451 PolarHBondContact O-N 2.82Å
450	H	72.8	Confident	87.6	Confident	98 Å²	98	40.8 Å²	40.8	45%	0.454	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	22.1	170	-61.4	98.2	0	0	0	115.4	Y412 S452 H453 N604	Y412-H450 HydrophobicContact CE2-CB 4.48Å; Y412-H450 AromaticContact CE2-CD2 3.57Å; Y412-H450 AromaticContact CZ-CD2 3.75Å; Y412-H450 WeakPolarHBondContact OH-CB 3.29Å; Y412-H450 PolarHBondContact OH-O 3.24Å; H450-S452 PolarHBondContact O-N 3.24Å; H450-H453 PolarHBondContact O-N 3.3Å; H450-H453 VanDerWaalsContact O-N 3.14Å; H450-N604 VanDerWaalsContact CB-ND2 3.33Å; H450-N604 WeakPolarHBondContact CB-ND2 3.39Å
451	N	80.5	Confident	87	Confident	56 Å²	56	41.5 Å²	41.5	30%	0.299	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-59.5	-16.8	-176.7	-166.9	47	0	0	0	115.1	R440 D449 H453 D454 V455	R440-N451 PolarHBondContact NE-OD1 3.45Å; R440-N451 VanDerWaalsContact NE-OD1 3.15Å; D449-N451 PolarHBondContact O-N 2.82Å; N451-H453 PolarHBondContact O-N 2.86Å; N451-D454 PolarHBondContact O-N 3.15Å; N451-D454 VanDerWaalsContact O-N 3.11Å; N451-V455 WeakPolarHBondContact O-CG2 3.41Å
452	S	85.5	Confident	86.8	Confident	66 Å²	66	35.3 Å²	35.3	46%	0.462	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-71.4	-8.1	176.3	47.5	0	0	0	0	114.4	Y411 Y412 H450	Y411-S452 PolarHBondContact OH-O 3Å; Y411-S452 VanDerWaalsContact OH-O 3.12Å; Y412-S452 WeakPolarHBondContact CE1-OG 3.22Å; H450-S452 PolarHBondContact O-N 3.24Å
453	H	90.4	Very high	86.6	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-63.6	-43.2	163.1	-166.5	81	0	0	0	111.9	Y411 H450 N451 V455 W599 S600 H603	Y411-H453 AromaticContact CD1-ND1 3.75Å; Y411-H453 AromaticContact CD2-ND1 3.94Å; Y411-H453 HydrophobicContact CE1-CB 4.31Å; Y411-H453 AromaticContact CE1-ND1 3.96Å; Y411-H453 AromaticContact CG-ND1 3.73Å; H450-H453 PolarHBondContact O-N 3.3Å; H450-H453 VanDerWaalsContact O-N 3.14Å; N451-H453 PolarHBondContact O-N 2.86Å; H453-V455 PolarHBondContact O-N 3.26Å; H453-W599 AromaticContact CD2-CD1 3.93Å; H453-W599 AromaticContact CD2-NE1 3.6Å; H453-W599 AromaticContact CE1-CD1 3.68Å; H453-W599 AromaticContact CE1-CG 3.94Å; H453-W599 AromaticContact NE2-CD1 3.58Å; H453-W599 AromaticContact NE2-CD2 3.93Å; H453-W599 AromaticContact NE2-CE2 3.82Å; H453-W599 AromaticContact NE2-CG 3.85Å; H453-W599 AromaticContact NE2-NE1 3.54Å; H453-W599 VanDerWaalsContact O-CD1 3.32Å; H453-W599 PolarHBondContact O-NE1 2.91Å; H453-S600 PolarHBondContact CE1-N 3.17Å; H453-S600 PolarHBondContact NE2-N 2.9Å; H453-S600 PolarHBondContact NE2-O 3.06Å; H453-H603 AromaticContact CD2-CG 3.92Å; H453-H603 WeakPolarHBondContact CE1-CB 3.39Å; H453-H603 AromaticContact CE1-CD2 3.98Å; H453-H603 AromaticContact CE1-CE1 3.67Å; H453-H603 AromaticContact CE1-CG 3.35Å; H453-H603 AromaticContact CE1-ND1 3.64Å; H453-H603 AromaticContact CG-CD2 3.53Å; H453-H603 AromaticContact CG-CG 3.67Å; H453-H603 AromaticContact ND1-CD2 3.5Å; H453-H603 AromaticContact ND1-CE1 3.91Å; H453-H603 AromaticContact ND1-CG 3.33Å; H453-H603 VanDerWaalsContact ND1-CG 3.33Å; H453-H603 AromaticContact ND1-ND1 3.61Å; H453-H603 WeakPolarHBondContact NE2-CB 3.49Å; H453-H603 AromaticContact NE2-CG 3.73Å
454	D	92.6	Very high	86.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-84.2	6.6	-177.9	-66.3	-53.3	0	0	0	113.2	N433 I434 V435 N451 R583	N433-D454 CarbonylContact C-O 3.6Å; N433-D454 VanDerWaalsContact CA-O 3.28Å; N433-D454 WeakPolarHBondContact CA-O 3.49Å; I434-D454 PolarHBondContact N-O 2.84Å; V435-D454 HydrophobicContact CB-CB 4.46Å; V435-D454 HydrophobicContact CG2-CB 4.36Å; N451-D454 PolarHBondContact O-N 3.15Å; N451-D454 VanDerWaalsContact O-N 3.11Å; D454-R583 IonicContact OD1-CZ 2.85Å; D454-R583 IonicContact OD1-NE 3.81Å; D454-R583 PolarHBondContact OD1-NE 3.49Å; D454-R583 IonicContact OD1-NH2 3.94Å; D454-R583 PolarHBondContact OD1-NH2 2.99Å; D454-R583 IonicContact OD2-CZ 2.71Å; D454-R583 IonicContact OD2-NE 2.71Å; D454-R583 IonicContact OD2-NH2 2.66Å; D454-R583 PolarHBondContact OD2-NH2 2.87Å
455	V	92.4	Very high	85.7	Confident	22 Å²	22	36.1 Å²	36.1	13%	0.133	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	98.5	179.5	-177.9	0	0	0	0	110.7	Y355 R431 K432 N451 H453	Y355-V455 PolarHBondContact OH-O 3.36Å; R431-V455 HydrophobicContact CB-CG1 4.12Å; R431-V455 HydrophobicContact CG-CG1 3.9Å; K432-V455 WeakPolarHBondContact O-CA 3.34Å; N451-V455 WeakPolarHBondContact O-CG2 3.41Å; H453-V455 PolarHBondContact O-N 3.26Å
456	L	93.5	Very high	85.8	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	164.6	179.2	-60.7	-176.6	0	0	0	112.2	V421 K432 I434 F586 L595 P596 W599	V421-L456 HydrophobicContact CG1-CB 4.33Å; V421-L456 HydrophobicContact CG2-CB 4.24Å; V421-L456 HydrophobicContact CG2-CD1 4.22Å; K432-L456 PolarHBondContact N-O 3Å; K432-L456 PolarHBondContact O-N 3.24Å; I434-L456 HydrophobicContact CD1-CB 4.3Å; I434-L456 HydrophobicContact CD1-CD1 3.94Å; I434-L456 HydrophobicContact CD1-CG 4.3Å; I434-L456 HydrophobicContact CG1-CB 4.39Å; I434-L456 HydrophobicContact CG1-CD1 3.79Å; I434-L456 HydrophobicContact CG1-CG 3.95Å; L456-F586 HydrophobicContact CD1-CD1 4.4Å; L456-F586 HydrophobicContact CD1-CE1 3.71Å; L456-F586 HydrophobicContact CD1-CZ 4.23Å; L456-L595 HydrophobicContact CD1-CD1 3.54Å; L456-P596 HydrophobicContact CD2-CG 4.38Å; L456-W599 HydrophobicContact CD1-CZ2 4.42Å
457	L	93.3	Very high	85.9	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.8	177.2	-74.5	-177.5	0	0	0	111.9	L354 Y355 L419 C420 V421 Y429 R431	L354-L457 HydrophobicContact CB-CD1 4.23Å; L354-L457 HydrophobicContact CB-CD2 4.09Å; L354-L457 HydrophobicContact CD2-CD1 4.32Å; L354-L457 HydrophobicContact CD2-CD2 3.49Å; L354-L457 VanDerWaalsContact CD2-CD2 3.49Å; L354-L457 HydrophobicContact CD2-CG 3.82Å; L354-L457 HydrophobicContact CG-CD2 4.44Å; Y355-L457 HydrophobicContact CD2-CD1 4.12Å; Y355-L457 HydrophobicContact CE2-CD1 3.65Å; Y355-L457 HydrophobicContact CE2-CG 3.98Å; L419-L457 WeakPolarHBondContact O-CB 3.37Å; C420-L457 CarbonylContact C-O 3.46Å; C420-L457 WeakPolarHBondContact CA-O 3.25Å; V421-L457 PolarHBondContact N-O 3.43Å; Y429-L457 HydrophobicContact CD2-CD1 4.01Å; Y429-L457 HydrophobicContact CD2-CD2 3.64Å; Y429-L457 HydrophobicContact CD2-CG 4.38Å; Y429-L457 HydrophobicContact CE2-CD1 4.24Å; Y429-L457 HydrophobicContact CE2-CD2 4.34Å; Y429-L457 HydrophobicContact CG-CD1 4.26Å; Y429-L457 HydrophobicContact CG-CD2 4.23Å; R431-L457 HydrophobicContact CG-CD2 4.42Å
458	L	92.4	Very high	85.7	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138	171.8	-65.2	-178.2	0	0	0	111	V421 V422 Y429 I430 K432 C462 H463 F586	V421-L458 HydrophobicContact CG2-CD2 3.92Å; V422-L458 HydrophobicContact CB-CD2 4.23Å; V422-L458 HydrophobicContact CG2-CD2 3.5Å; Y429-L458 CarbonylContact C-O 3.5Å; Y429-L458 VanDerWaalsContact CA-O 3.28Å; Y429-L458 WeakPolarHBondContact CA-O 3.49Å; I430-L458 PolarHBondContact N-O 3.19Å; I430-L458 PolarHBondContact O-N 3.42Å; K432-L458 HydrophobicContact CB-CD1 3.76Å; K432-L458 HydrophobicContact CB-CG 3.99Å; K432-L458 HydrophobicContact CD-CD1 4.16Å; K432-L458 HydrophobicContact CG-CD1 3.73Å; K432-L458 HydrophobicContact CG-CG 4.45Å; L458-C462 HydrophobicContact CB-CB 4.43Å; L458-C462 HydrophobicContact CD2-CB 4.19Å; L458-H463 HydrophobicContact CB-CB 3.98Å; L458-H463 HydrophobicContact CD1-CB 4.41Å; L458-F586 HydrophobicContact CD1-CE2 4.26Å; L458-F586 HydrophobicContact CD2-CE2 4.26Å; L458-F586 HydrophobicContact CD2-CZ 4.24Å
459	C	86.9	Confident	85.7	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.014	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	158.8	166.4	70.3	0	0	0	0	110.4	C420 K425 S461 C462 H463	C420-C459 HydrophobicContact CB-CB 3.98Å; C420-C459 PolarHBondContact SG-N 3.25Å; K425-C459 HydrophobicContact CB-CB 4.17Å; K425-C459 HydrophobicContact CD-CB 4.13Å; C459-S461 PolarHBondContact O-N 3.32Å; C459-S461 VanDerWaalsContact O-N 3.12Å; C459-S461 PolarHBondContact SG-OG 3.31Å; C459-C462 PolarHBondContact O-N 3.44Å; C459-C462 VanDerWaalsContact O-N 3.1Å; C459-H463 WeakPolarHBondContact O-CB 3.37Å; C459-H463 PolarHBondContact O-N 2.82Å
460	T	82.5	Confident	86.3	Confident	48 Å²	48	22.9 Å²	22.9	29%	0.294	13%	0.131	S	C	.	.	H	α-helix	trans	-46.2	-43.7	-179.7	48.6	0	0	0	0	114	S428 I430 A464	S428-T460 PolarHBondContact O-N 3.39Å; I430-T460 HydrophobicContact CD1-CG2 3.95Å; T460-A464 PolarHBondContact O-N 3.42Å; T460-A464 VanDerWaalsContact O-N 3.12Å
461	S	78.4	Confident	86.9	Confident	29 Å²	29	22.6 Å²	22.6	20%	0.203	13%	0.132	C	C	.	.	H	α-helix	trans	-68.3	-48.3	179.1	53.5	0	0	0	0	112.7	C459 H463 A464 V465	C459-S461 PolarHBondContact O-N 3.32Å; C459-S461 VanDerWaalsContact O-N 3.12Å; C459-S461 PolarHBondContact SG-OG 3.31Å; S461-H463 VanDerWaalsContact C-N 3.28Å; S461-H463 PolarHBondContact O-N 3.2Å; S461-A464 PolarHBondContact O-N 3.01Å; S461-V465 VanDerWaalsContact O-CG2 3.26Å; S461-V465 WeakPolarHBondContact O-CG2 3.47Å; S461-V465 PolarHBondContact O-N 3.14Å; S461-V465 VanDerWaalsContact O-N 3.11Å
462	C	86.7	Confident	87.1	Confident	15 Å²	15	21.7 Å²	21.7	10%	0.101	13%	0.126	C	C	.	.	H	α-helix	trans	-68.1	-29.4	178.6	-66.1	0	0	0	0	112.3	V422 L458 C459 S466 M590	V422-C462 HydrophobicContact CB-CB 4.21Å; V422-C462 HydrophobicContact CG1-CB 4.41Å; L458-C462 HydrophobicContact CB-CB 4.43Å; L458-C462 HydrophobicContact CD2-CB 4.19Å; C459-C462 PolarHBondContact O-N 3.44Å; C459-C462 VanDerWaalsContact O-N 3.1Å; C462-S466 WeakPolarHBondContact O-CB 3.43Å; C462-S466 PolarHBondContact O-N 2.91Å; C462-M590 HydrophobicContact CB-CE 4.08Å; C462-M590 VanDerWaalsContact O-CE 3.24Å; C462-M590 WeakPolarHBondContact O-CE 3.25Å
463	H	88.8	Confident	87.3	Confident	17 Å²	17	18.7 Å²	18.7	8%	0.079	11%	0.105	C	C	.	.	H	α-helix	trans	-67.6	-40	174	-174.1	-81.2	0	0	0	112.1	Y347 I430 L458 C459 S461 N467	Y347-H463 AromaticContact CE1-CE1 3.6Å; Y347-H463 AromaticContact CE1-ND1 3.76Å; Y347-H463 AromaticContact CZ-ND1 3.95Å; I430-H463 HydrophobicContact CD1-CB 4.21Å; L458-H463 HydrophobicContact CB-CB 3.98Å; L458-H463 HydrophobicContact CD1-CB 4.41Å; C459-H463 WeakPolarHBondContact O-CB 3.37Å; C459-H463 PolarHBondContact O-N 2.82Å; S461-H463 VanDerWaalsContact C-N 3.28Å; S461-H463 PolarHBondContact O-N 3.2Å; H463-N467 PolarHBondContact CE1-ND2 3.41Å; H463-N467 VanDerWaalsContact CE1-ND2 3.3Å; H463-N467 WeakPolarHBondContact O-CB 3.25Å; H463-N467 PolarHBondContact O-N 3.37Å; H463-N467 PolarHBondContact O-OD1 3.21Å
464	A	79.3	Confident	87.3	Confident	21 Å²	21	20.5 Å²	20.5	17%	0.174	11%	0.113	C	C	.	.	H	α-helix	trans	-64.6	-46.1	174.2	0	0	0	0	0	111.9	L178 T460 S461 N467 Y468	L178-A464 HydrophobicContact CD1-CB 3.84Å; L178-A464 HydrophobicContact CD2-CB 4.37Å; L178-A464 HydrophobicContact CG-CB 4.06Å; T460-A464 PolarHBondContact O-N 3.42Å; T460-A464 VanDerWaalsContact O-N 3.12Å; S461-A464 PolarHBondContact O-N 3.01Å; A464-N467 PolarHBondContact O-N 3.09Å; A464-Y468 PolarHBondContact O-N 3.26Å; A464-Y468 VanDerWaalsContact O-N 3.15Å
465	V	82.1	Confident	87	Confident	18 Å²	18	24.5 Å²	24.5	11%	0.109	13%	0.132	C	C	.	.	H	α-helix	trans	-58.1	-49.1	174.9	178.4	0	0	0	0	111.1	L178 G182 P184 S461 N467 Y468 Y469 M590	L178-V465 HydrophobicContact CD1-CG2 4.29Å; G182-V465 VanDerWaalsContact O-CG2 3.28Å; G182-V465 WeakPolarHBondContact O-CG2 3.45Å; P184-V465 HydrophobicContact CB-CG2 3.87Å; P184-V465 HydrophobicContact CG-CG2 3.76Å; S461-V465 VanDerWaalsContact O-CG2 3.26Å; S461-V465 WeakPolarHBondContact O-CG2 3.47Å; S461-V465 PolarHBondContact O-N 3.14Å; S461-V465 VanDerWaalsContact O-N 3.11Å; V465-N467 PolarHBondContact O-N 3.37Å; V465-Y468 PolarHBondContact O-N 3.02Å; V465-Y469 HydrophobicContact CG1-CD2 3.96Å; V465-Y469 HydrophobicContact CG1-CE2 3.63Å; V465-Y469 WeakPolarHBondContact O-CD2 3.25Å; V465-Y469 PolarHBondContact O-N 3.18Å; V465-M590 HydrophobicContact CB-CE 4.08Å; V465-M590 HydrophobicContact CB-SD 4.34Å; V465-M590 HydrophobicContact CG1-CE 3.99Å; V465-M590 HydrophobicContact CG1-SD 3.83Å
466	S	90.2	Very high	86.8	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.4	-45.5	176.4	162.6	0	0	0	0	111.5	K432 C462 Y468 Y469 D470 M590	K432-S466 VanDerWaalsContact CE-OG 3.27Å; K432-S466 WeakPolarHBondContact CE-OG 3.44Å; K432-S466 PolarHBondContact NZ-OG 2.95Å; C462-S466 WeakPolarHBondContact O-CB 3.43Å; C462-S466 PolarHBondContact O-N 2.91Å; S466-Y468 VanDerWaalsContact C-N 3.25Å; S466-Y468 PolarHBondContact O-N 3.33Å; S466-Y469 PolarHBondContact O-N 3.39Å; S466-D470 WeakPolarHBondContact O-CB 3.3Å; S466-D470 VanDerWaalsContact O-CG 3.29Å; S466-D470 PolarHBondContact O-N 3.2Å; S466-D470 PolarHBondContact OG-OD1 3.16Å; S466-M590 VanDerWaalsContact CA-SD 3.52Å
467	N	86.8	Confident	86.8	Confident	42 Å²	42	27.4 Å²	27.4	23%	0.225	14%	0.144	C	C	.	.	H	α-helix	trans	-59.9	-33.3	179.2	-80.5	3.7	0	0	0	113.5	Y347 K432 H463 A464 V465 N471	Y347-N467 PolarHBondContact OH-ND2 3.1Å; K432-N467 PolarHBondContact NZ-OD1 3.05Å; H463-N467 PolarHBondContact CE1-ND2 3.41Å; H463-N467 VanDerWaalsContact CE1-ND2 3.3Å; H463-N467 WeakPolarHBondContact O-CB 3.25Å; H463-N467 PolarHBondContact O-N 3.37Å; H463-N467 PolarHBondContact O-OD1 3.21Å; A464-N467 PolarHBondContact O-N 3.09Å; V465-N467 PolarHBondContact O-N 3.37Å; N467-N471 WeakPolarHBondContact O-CB 3.42Å; N467-N471 PolarHBondContact O-N 3.35Å; N467-N471 PolarHBondContact O-ND2 2.93Å
468	Y	81.8	Confident	86.5	Confident	21 Å²	21	28 Å²	28	8%	0.082	15%	0.148	C	C	.	.	H	α-helix	trans	-66	-47.9	174.8	164.5	-98.8	0	0	0	111.8	Y181 G182 A464 V465 S466 N471 H472	Y181-Y468 VanDerWaalsContact C-CE2 3.46Å; Y181-Y468 VanDerWaalsContact C-CG 3.49Å; Y181-Y468 VanDerWaalsContact CA-CE2 3.5Å; Y181-Y468 HydrophobicContact CD1-CE2 4.44Å; Y181-Y468 WeakPolarHBondContact O-CD1 3.38Å; Y181-Y468 WeakPolarHBondContact O-CD2 3.28Å; Y181-Y468 WeakPolarHBondContact O-CE1 3.41Å; Y181-Y468 WeakPolarHBondContact O-CE2 3.35Å; G182-Y468 VanDerWaalsContact CA-CB 3.43Å; A464-Y468 PolarHBondContact O-N 3.26Å; A464-Y468 VanDerWaalsContact O-N 3.15Å; V465-Y468 PolarHBondContact O-N 3.02Å; S466-Y468 VanDerWaalsContact C-N 3.25Å; S466-Y468 PolarHBondContact O-N 3.33Å; Y468-N471 PolarHBondContact O-N 3.42Å; Y468-H472 AromaticContact CD2-CE1 3.77Å; Y468-H472 AromaticContact CE2-CE1 3.13Å; Y468-H472 WeakPolarHBondContact CE2-CE1 3.29Å; Y468-H472 AromaticContact CE2-ND1 3.93Å; Y468-H472 AromaticContact CE2-NE2 3.77Å; Y468-H472 AromaticContact CZ-CE1 3.31Å; Y468-H472 AromaticContact CZ-NE2 3.52Å; Y468-H472 PolarHBondContact O-N 3.05Å; Y468-H472 PolarHBondContact O-ND1 3.43Å; Y468-H472 PolarHBondContact OH-CE1 2.7Å; Y468-H472 PolarHBondContact OH-NE2 3.28Å; Y468-H472 VanDerWaalsContact OH-NE2 3.15Å
469	Y	86.1	Confident	86.3	Confident	15 Å²	15	34.1 Å²	34.1	6%	0.059	18%	0.177	C	C	.	.	H	α-helix	trans	-66	-43.1	176.6	-70.7	-57.8	0	0	0	112.5	T149 L155 V465 S466 N471 H472 L473 H585 M590	T149-Y469 HydrophobicContact CG2-CD1 4.24Å; T149-Y469 HydrophobicContact CG2-CE1 4.23Å; L155-Y469 WeakPolarHBondContact CD1-OH 3.3Å; V465-Y469 HydrophobicContact CG1-CD2 3.96Å; V465-Y469 HydrophobicContact CG1-CE2 3.63Å; V465-Y469 WeakPolarHBondContact O-CD2 3.25Å; V465-Y469 PolarHBondContact O-N 3.18Å; S466-Y469 PolarHBondContact O-N 3.39Å; Y469-N471 VanDerWaalsContact C-N 3.27Å; Y469-N471 PolarHBondContact O-N 3.15Å; Y469-H472 WeakPolarHBondContact O-CB 3.19Å; Y469-H472 PolarHBondContact O-N 2.82Å; Y469-L473 PolarHBondContact O-N 3.14Å; Y469-L473 VanDerWaalsContact O-N 3.1Å; Y469-H585 WeakPolarHBondContact CA-NE2 3.46Å; Y469-H585 WeakPolarHBondContact CB-NE2 3.37Å; Y469-H585 PolarHBondContact O-CE1 3.02Å; Y469-H585 PolarHBondContact O-NE2 2.67Å; Y469-M590 HydrophobicContact CD2-SD 4.05Å; Y469-M590 HydrophobicContact CE2-SD 4.46Å
470	D	90.4	Very high	86.5	Confident	10 Å²	10	38.8 Å²	38.8	5%	0.053	20%	0.199	C	C	.	.	H	α-helix	trans	-51.7	-48.2	172	-77	32.8	0	0	0	110.6	K432 S466 H472 L473 K474 W582 H585	K432-D470 VanDerWaalsContact CE-OD2 3.3Å; K432-D470 WeakPolarHBondContact CE-OD2 3.32Å; K432-D470 VanDerWaalsContact NZ-CG 3.32Å; K432-D470 IonicContact NZ-OD1 3.55Å; K432-D470 IonicContact NZ-OD2 2.71Å; K432-D470 PolarHBondContact NZ-OD2 3.29Å; S466-D470 WeakPolarHBondContact O-CB 3.3Å; S466-D470 VanDerWaalsContact O-CG 3.29Å; S466-D470 PolarHBondContact O-N 3.2Å; S466-D470 PolarHBondContact OG-OD1 3.16Å; D470-H472 PolarHBondContact O-N 3.07Å; D470-L473 CarbonylContact O-C 3.53Å; D470-L473 PolarHBondContact O-N 3.33Å; D470-K474 WeakPolarHBondContact O-CG 3.17Å; D470-K474 PolarHBondContact O-N 2.69Å; D470-W582 HydrophobicContact CB-CH2 4.19Å; D470-W582 HydrophobicContact CB-CZ3 3.84Å; D470-H585 WeakPolarHBondContact CA-NE2 3.37Å; D470-H585 PolarHBondContact N-NE2 2.66Å; D470-H585 IonicContact OD1-NE2 3.21Å; D470-H585 PolarHBondContact OD1-NE2 3.47Å
471	N	85	Confident	86.8	Confident	91 Å²	91	38.7 Å²	38.7	49%	0.487	20%	0.195	S	C	.	.	H	α-helix	trans	-60.9	-31.3	178.6	-72.5	-17	0	0	0	112.8	N467 Y468 Y469 K474 Q475	N467-N471 WeakPolarHBondContact O-CB 3.42Å; N467-N471 PolarHBondContact O-N 3.35Å; N467-N471 PolarHBondContact O-ND2 2.93Å; Y468-N471 PolarHBondContact O-N 3.42Å; Y469-N471 VanDerWaalsContact C-N 3.27Å; Y469-N471 PolarHBondContact O-N 3.15Å; N471-K474 PolarHBondContact O-N 3.27Å; N471-Q475 WeakPolarHBondContact O-CB 3.18Å; N471-Q475 PolarHBondContact O-N 3.09Å
472	H	83.6	Confident	87.1	Confident	38 Å²	38	40 Å²	40	18%	0.176	21%	0.212	C	C	.	.	H	α-helix	trans	-68.3	-42.7	173	-72.7	46.3	0	0	0	111.2	Y468 Y469 D470 K474 Q475 Q476	Y468-H472 AromaticContact CD2-CE1 3.77Å; Y468-H472 AromaticContact CE2-CE1 3.13Å; Y468-H472 WeakPolarHBondContact CE2-CE1 3.29Å; Y468-H472 AromaticContact CE2-ND1 3.93Å; Y468-H472 AromaticContact CE2-NE2 3.77Å; Y468-H472 AromaticContact CZ-CE1 3.31Å; Y468-H472 AromaticContact CZ-NE2 3.52Å; Y468-H472 PolarHBondContact O-N 3.05Å; Y468-H472 PolarHBondContact O-ND1 3.43Å; Y468-H472 PolarHBondContact OH-CE1 2.7Å; Y468-H472 PolarHBondContact OH-NE2 3.28Å; Y468-H472 VanDerWaalsContact OH-NE2 3.15Å; Y469-H472 WeakPolarHBondContact O-CB 3.19Å; Y469-H472 PolarHBondContact O-N 2.82Å; D470-H472 PolarHBondContact O-N 3.07Å; H472-K474 VanDerWaalsContact C-N 3.34Å; H472-K474 PolarHBondContact O-N 2.99Å; H472-Q475 PolarHBondContact O-N 3.11Å; H472-Q476 WeakPolarHBondContact O-CG 3.22Å; H472-Q476 PolarHBondContact O-N 2.6Å
473	L	91.1	Very high	87	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.016	21%	0.207	C	C	.	.	H	α-helix	trans	-64	-37.8	173.3	176.3	58.9	0	0	0	111.9	Y469 D470 Q475 Q476 L477 R581 W582 H585	Y469-L473 PolarHBondContact O-N 3.14Å; Y469-L473 VanDerWaalsContact O-N 3.1Å; D470-L473 CarbonylContact O-C 3.53Å; D470-L473 PolarHBondContact O-N 3.33Å; L473-Q475 VanDerWaalsContact C-N 3.32Å; L473-Q475 PolarHBondContact O-N 2.95Å; L473-Q476 PolarHBondContact O-N 2.67Å; L473-L477 HydrophobicContact CD1-CD1 4.29Å; L473-L477 HydrophobicContact CD1-CG 4.16Å; L473-L477 HydrophobicContact CG-CD1 4.12Å; L473-L477 HydrophobicContact CG-CG 4.47Å; L473-L477 WeakPolarHBondContact O-CB 3.17Å; L473-L477 VanDerWaalsContact O-CG 3.27Å; L473-L477 WeakPolarHBondContact O-CG 3.45Å; L473-L477 PolarHBondContact O-N 3.02Å; L473-R581 HydrophobicContact CD1-CG 4.19Å; L473-R581 HydrophobicContact CD2-CG 4.48Å; L473-W582 HydrophobicContact CB-CH2 4.13Å; L473-W582 HydrophobicContact CB-CZ3 4.45Å; L473-W582 HydrophobicContact CD2-CD2 3.72Å; L473-W582 HydrophobicContact CD2-CE3 3.7Å; L473-W582 HydrophobicContact CD2-CG 4.36Å; L473-W582 HydrophobicContact CD2-CH2 3.9Å; L473-W582 HydrophobicContact CD2-CZ2 3.95Å; L473-W582 HydrophobicContact CD2-CZ3 3.79Å; L473-W582 HydrophobicContact CG-CH2 4.02Å; L473-W582 HydrophobicContact CG-CZ2 4.02Å; L473-W582 HydrophobicContact CG-CZ3 4.38Å; L473-H585 HydrophobicContact CD2-CB 3.67Å
474	K	90.1	Very high	86.2	Confident	37 Å²	37	40 Å²	40	16%	0.161	21%	0.214	C	C	.	.	H	α-helix	trans	-60.2	-42.9	173.1	-63	-170.4	-178	-168.3	0	112	E438 Y439 D470 N471 H472 L477 A478 I485 H559 W582	E438-K474 VanDerWaalsContact OE1-CE 3.28Å; E438-K474 WeakPolarHBondContact OE1-CE 3.49Å; E438-K474 IonicContact OE1-NZ 2.76Å; E438-K474 PolarHBondContact OE1-NZ 3.04Å; E438-K474 WeakPolarHBondContact OE2-CE 3.38Å; E438-K474 IonicContact OE2-NZ 3.25Å; E438-K474 PolarHBondContact OE2-NZ 2.89Å; Y439-K474 WeakPolarHBondContact OH-CG 3.47Å; D470-K474 WeakPolarHBondContact O-CG 3.17Å; D470-K474 PolarHBondContact O-N 2.69Å; N471-K474 PolarHBondContact O-N 3.27Å; H472-K474 VanDerWaalsContact C-N 3.34Å; H472-K474 PolarHBondContact O-N 2.99Å; K474-L477 CarbonylContact O-C 3.58Å; K474-L477 PolarHBondContact O-N 3.46Å; K474-A478 WeakPolarHBondContact O-CB 3.36Å; K474-A478 PolarHBondContact O-N 3Å; K474-I485 HydrophobicContact CB-CD1 3.86Å; K474-I485 WeakPolarHBondContact O-CD1 3.38Å; K474-H559 PolarHBondContact O-CE1 3.23Å; K474-W582 HydrophobicContact CG-CH2 3.82Å; K474-W582 HydrophobicContact CG-CZ2 4.07Å
475	Q	85.4	Confident	85.8	Confident	85 Å²	85	42.7 Å²	42.7	40%	0.397	22%	0.224	S	C	.	.	H	α-helix	trans	-64.6	-43.8	178.9	-173.5	59	31.8	0	0	111.3	N471 H472 L473 L477 A478 E479	N471-Q475 WeakPolarHBondContact O-CB 3.18Å; N471-Q475 PolarHBondContact O-N 3.09Å; H472-Q475 PolarHBondContact O-N 3.11Å; L473-Q475 VanDerWaalsContact C-N 3.32Å; L473-Q475 PolarHBondContact O-N 2.95Å; Q475-L477 PolarHBondContact O-N 3.38Å; Q475-A478 WeakPolarHBondContact O-CB 3.46Å; Q475-A478 PolarHBondContact O-N 3.34Å; Q475-A478 VanDerWaalsContact O-N 3.09Å; Q475-E479 WeakPolarHBondContact CG-OE1 3.43Å; Q475-E479 PolarHBondContact NE2-OE1 3.05Å; Q475-E479 PolarHBondContact O-N 2.87Å
476	Q	89.4	Confident	84.6	Confident	83 Å²	83	45.5 Å²	45.5	39%	0.388	26%	0.257	S	S	.	.	H	α-helix	trans	-58.9	-44.6	172	-69.6	173.1	-6.4	0	0	112.1	H472 L473 A478 E479 E480	H472-Q476 WeakPolarHBondContact O-CG 3.22Å; H472-Q476 PolarHBondContact O-N 2.6Å; L473-Q476 PolarHBondContact O-N 2.67Å; Q476-A478 VanDerWaalsContact C-N 3.27Å; Q476-A478 PolarHBondContact O-N 3.04Å; Q476-E479 PolarHBondContact O-N 2.94Å; Q476-E480 WeakPolarHBondContact O-CB 3.33Å; Q476-E480 PolarHBondContact O-N 2.81Å
477	L	92.1	Very high	83	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.8	-28.6	175.3	-69.1	170.3	0	0	0	112.7	Y439 L473 K474 Q475 F481 V563 F567 L578 W582	Y439-L477 HydrophobicContact CE1-CD1 4.44Å; L473-L477 HydrophobicContact CD1-CD1 4.29Å; L473-L477 HydrophobicContact CD1-CG 4.16Å; L473-L477 HydrophobicContact CG-CD1 4.12Å; L473-L477 HydrophobicContact CG-CG 4.47Å; L473-L477 WeakPolarHBondContact O-CB 3.17Å; L473-L477 VanDerWaalsContact O-CG 3.27Å; L473-L477 WeakPolarHBondContact O-CG 3.45Å; L473-L477 PolarHBondContact O-N 3.02Å; K474-L477 CarbonylContact O-C 3.58Å; K474-L477 PolarHBondContact O-N 3.46Å; Q475-L477 PolarHBondContact O-N 3.38Å; L477-F481 HydrophobicContact CD2-CD2 4.1Å; L477-F481 HydrophobicContact CD2-CE2 3.74Å; L477-F481 WeakPolarHBondContact O-CB 3.5Å; L477-F481 WeakPolarHBondContact O-CD2 3.42Å; L477-F481 PolarHBondContact O-N 3.33Å; L477-V563 HydrophobicContact CB-CG2 4.24Å; L477-V563 HydrophobicContact CD2-CG1 4.32Å; L477-F567 HydrophobicContact CD2-CE2 4.2Å; L477-L578 HydrophobicContact CD1-CD1 4.28Å; L477-L578 HydrophobicContact CD2-CD1 4.4Å; L477-W582 HydrophobicContact CD1-CZ2 3.9Å
478	A	88.4	Confident	81.5	Confident	12 Å²	12	52.7 Å²	52.7	10%	0.099	29%	0.294	C	S	.	.	H	α-helix	trans	-69.6	-44.6	175.6	0	0	0	0	0	111.3	K474 Q475 Q476 G482 A483 I485	K474-A478 WeakPolarHBondContact O-CB 3.36Å; K474-A478 PolarHBondContact O-N 3Å; Q475-A478 WeakPolarHBondContact O-CB 3.46Å; Q475-A478 PolarHBondContact O-N 3.34Å; Q475-A478 VanDerWaalsContact O-N 3.09Å; Q476-A478 VanDerWaalsContact C-N 3.27Å; Q476-A478 PolarHBondContact O-N 3.04Å; A478-G482 CarbonylContact O-C 3.45Å; A478-G482 VanDerWaalsContact O-CA 3.29Å; A478-G482 WeakPolarHBondContact O-CA 3.24Å; A478-G482 PolarHBondContact O-N 3.18Å; A478-A483 WeakPolarHBondContact CA-O 3.35Å; A478-A483 WeakPolarHBondContact CB-O 3.29Å; A478-A483 PolarHBondContact O-N 2.81Å; A478-I485 HydrophobicContact CB-CD1 3.71Å; A478-I485 HydrophobicContact CB-CG1 3.85Å
479	E	87.3	Confident	80.2	Confident	130 Å²	130	57.3 Å²	57.3	61%	0.607	32%	0.316	S	S	*	.	H	α-helix	trans	-68	-46.3	177.4	-71.1	160.7	-161.7	0	0	111.6	Q475 Q476 F481	Q475-E479 WeakPolarHBondContact CG-OE1 3.43Å; Q475-E479 PolarHBondContact NE2-OE1 3.05Å; Q475-E479 PolarHBondContact O-N 2.87Å; Q476-E479 PolarHBondContact O-N 2.94Å; E479-F481 PolarHBondContact O-N 3.26Å
480	E	91	Very high	78.8	Confident	100 Å²	100	57.7 Å²	57.7	47%	0.467	33%	0.325	S	S	.	.	H	α-helix	trans	-64.7	-34.5	-178.2	-174.3	179.8	156.3	0	0	113.7	Q476 R581	Q476-E480 WeakPolarHBondContact O-CB 3.33Å; Q476-E480 PolarHBondContact O-N 2.81Å; E480-R581 IonicContact OE1-NH1 2.74Å; E480-R581 PolarHBondContact OE1-NH1 3.46Å; E480-R581 IonicContact OE2-CZ 3.78Å; E480-R581 IonicContact OE2-NH1 3.49Å; E480-R581 PolarHBondContact OE2-NH1 3.47Å; E480-R581 IonicContact OE2-NH2 2.96Å; E480-R581 PolarHBondContact OE2-NH2 3.01Å
481	F	89.3	Confident	77.5	Confident	46 Å²	46	60.3 Å²	60.3	20%	0.202	34%	0.341	C	S	.	.	H	α-helix	trans	-115	5.1	-174.3	-62.8	-67.7	0	0	0	114.9	L477 E479 A483 V563 C566 F567	L477-F481 HydrophobicContact CD2-CD2 4.1Å; L477-F481 HydrophobicContact CD2-CE2 3.74Å; L477-F481 WeakPolarHBondContact O-CB 3.5Å; L477-F481 WeakPolarHBondContact O-CD2 3.42Å; L477-F481 PolarHBondContact O-N 3.33Å; E479-F481 PolarHBondContact O-N 3.26Å; F481-A483 VanDerWaalsContact C-N 3.31Å; F481-A483 HydrophobicContact CB-CB 4.49Å; F481-A483 PolarHBondContact O-N 3.42Å; F481-V563 HydrophobicContact CD2-CG1 4.22Å; F481-V563 HydrophobicContact CD2-CG2 4.48Å; F481-C566 HydrophobicContact CB-CB 4.29Å; F481-C566 HydrophobicContact CD1-CB 3.45Å; F481-C566 VanDerWaalsContact CD1-CB 3.45Å; F481-C566 HydrophobicContact CE1-CB 4.05Å; F481-C566 HydrophobicContact CG-CB 4.04Å; F481-F567 HydrophobicContact CD2-CE2 4.1Å; F481-F567 HydrophobicContact CE1-CE2 4.29Å; F481-F567 HydrophobicContact CE1-CZ 4.48Å; F481-F567 HydrophobicContact CE2-CD2 4.18Å; F481-F567 AromaticContact CE2-CE2 3.26Å; F481-F567 HydrophobicContact CE2-CE2 3.26Å; F481-F567 AromaticContact CE2-CZ 3.58Å; F481-F567 HydrophobicContact CE2-CZ 3.58Å; F481-F567 HydrophobicContact CZ-CD2 4.09Å; F481-F567 HydrophobicContact CZ-CE1 4.13Å; F481-F567 AromaticContact CZ-CE2 3.37Å; F481-F567 HydrophobicContact CZ-CE2 3.37Å; F481-F567 AromaticContact CZ-CZ 3.4Å; F481-F567 HydrophobicContact CZ-CZ 3.4Å; F481-F567 VanDerWaalsContact CZ-CZ 3.4Å
482	G	84.2	Confident	76.7	Confident	55 Å²	55	64 Å²	64	57%	0.567	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	45.6	-174.2	0	0	0	0	0	112	A478	A478-G482 CarbonylContact O-C 3.45Å; A478-G482 VanDerWaalsContact O-CA 3.29Å; A478-G482 WeakPolarHBondContact O-CA 3.24Å; A478-G482 PolarHBondContact O-N 3.18Å
483	A	84.2	Confident	76.4	Confident	1 Å²	1	66 Å²	66	1%	0.008	36%	0.36	C	S	.	.			trans	-107.2	100.7	-173.2	0	0	0	0	0	111	A478 F481 I485 H559 K562 V563	A478-A483 WeakPolarHBondContact CA-O 3.35Å; A478-A483 WeakPolarHBondContact CB-O 3.29Å; A478-A483 PolarHBondContact O-N 2.81Å; F481-A483 VanDerWaalsContact C-N 3.31Å; F481-A483 HydrophobicContact CB-CB 4.49Å; F481-A483 PolarHBondContact O-N 3.42Å; A483-I485 PolarHBondContact O-N 3.21Å; A483-H559 WeakPolarHBondContact CB-ND1 3.49Å; A483-H559 PolarHBondContact O-ND1 2.96Å; A483-K562 HydrophobicContact CB-CB 3.86Å; A483-K562 HydrophobicContact CB-CG 3.69Å; A483-V563 HydrophobicContact CB-CG2 3.61Å
484	P	72.3	Confident	75.7	Confident	33 Å²	33	68.4 Å²	68.4	21%	0.214	37%	0.372	C	S	.	.			trans	-61.4	130.3	-162.2	21.7	-33.5	0	0	0	114	S487 E489	P484-S487 VanDerWaalsContact CB-OG 3.25Å; P484-S487 WeakPolarHBondContact CB-OG 3.3Å; P484-E489 HydrophobicContact CB-CB 4.44Å; P484-E489 HydrophobicContact CG-CB 4.44Å
485	I	70.3	Confident	75.1	Confident	76 Å²	76	70.5 Å²	70.5	39%	0.39	38%	0.382	S	S	.	.	S	Bend	trans	-121.2	119.2	168.7	-61.5	-177.5	0	0	0	107.5	K474 A478 A483 S487 H559	K474-I485 HydrophobicContact CB-CD1 3.86Å; K474-I485 WeakPolarHBondContact O-CD1 3.38Å; A478-I485 HydrophobicContact CB-CD1 3.71Å; A478-I485 HydrophobicContact CB-CG1 3.85Å; A483-I485 PolarHBondContact O-N 3.21Å; I485-S487 PolarHBondContact O-N 2.7Å; I485-S487 VanDerWaalsContact O-N 3.15Å; I485-H559 HydrophobicContact CG1-CB 4.31Å; I485-H559 WeakPolarHBondContact CG1-ND1 3.47Å
486	G	58.1	Low	75	Confident	77 Å²	77	67.9 Å²	67.9	79%	0.794	37%	0.371	S	S	*	.	S	Bend	trans	73.4	-3.3	173.1	0	0	0	0	0	116.8
487	S	56.5	Low	74.8	Confident	41 Å²	41	68.7 Å²	68.7	29%	0.287	38%	0.384	S	S	.	.	S	Bend	trans	-74.8	163.3	167	70.5	0	0	0	0	111.4	P484 I485 E489 G490 V491	P484-S487 VanDerWaalsContact CB-OG 3.25Å; P484-S487 WeakPolarHBondContact CB-OG 3.3Å; I485-S487 PolarHBondContact O-N 2.7Å; I485-S487 VanDerWaalsContact O-N 3.15Å; S487-E489 PolarHBondContact O-N 3.15Å; S487-E489 PolarHBondContact OG-OE2 3.25Å; S487-E489 VanDerWaalsContact OG-OE2 3.08Å; S487-G490 CarbonylContact O-C 3.5Å; S487-G490 WeakPolarHBondContact O-CA 3.42Å; S487-G490 PolarHBondContact O-N 2.94Å; S487-G490 PolarHBondContact OG-N 3.44Å; S487-V491 PolarHBondContact O-N 3.41Å
488	E	54.3	Low	74.5	Confident	152 Å²	152	73 Å²	73	71%	0.71	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-57.8	-35.2	176.7	-63	-171	156.1	0	0	112.3	G490 V491 L494 N553	E488-G490 PolarHBondContact O-N 2.99Å; E488-V491 WeakPolarHBondContact O-CB 3.42Å; E488-V491 PolarHBondContact O-N 2.86Å; E488-L494 HydrophobicContact CB-CD2 4.14Å; E488-N553 PolarHBondContact O-ND2 2.96Å
489	E	55.3	Low	74.5	Confident	119 Å²	119	76.4 Å²	76.4	56%	0.556	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-62.3	-30.4	172.7	-53.1	151.4	148.9	0	0	112.3	P484 S487 V491	P484-E489 HydrophobicContact CB-CB 4.44Å; P484-E489 HydrophobicContact CG-CB 4.44Å; S487-E489 PolarHBondContact O-N 3.15Å; S487-E489 PolarHBondContact OG-OE2 3.25Å; S487-E489 VanDerWaalsContact OG-OE2 3.08Å; E489-V491 VanDerWaalsContact C-N 3.31Å
490	G	56.2	Low	74.7	Confident	23 Å²	23	76.9 Å²	76.9	24%	0.237	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-81.8	-1.5	173.4	0	0	0	0	0	114.2	S487 E488 Y556	S487-G490 CarbonylContact O-C 3.5Å; S487-G490 WeakPolarHBondContact O-CA 3.42Å; S487-G490 PolarHBondContact O-N 2.94Å; S487-G490 PolarHBondContact OG-N 3.44Å; E488-G490 PolarHBondContact O-N 2.99Å; G490-Y556 WeakPolarHBondContact O-CE2 3.42Å
491	V	63.2	Low	74.6	Confident	64 Å²	64	77.3 Å²	77.3	39%	0.388	41%	0.414	S	S	.	.			trans	-98.6	117.8	177.2	-172.8	0	0	0	0	110.4	S487 E488 E489 L493 L494 N553	S487-V491 PolarHBondContact O-N 3.41Å; E488-V491 WeakPolarHBondContact O-CB 3.42Å; E488-V491 PolarHBondContact O-N 2.86Å; E489-V491 VanDerWaalsContact C-N 3.31Å; V491-L493 VanDerWaalsContact C-N 3.28Å; V491-L493 WeakPolarHBondContact CG1-O 3.47Å; V491-L493 PolarHBondContact O-N 3.12Å; V491-L494 HydrophobicContact CB-CD2 4.45Å; V491-N553 VanDerWaalsContact O-CB 3.26Å; V491-N553 WeakPolarHBondContact O-CB 3.45Å; V491-N553 PolarHBondContact O-ND2 3.24Å
492	R	69.4	Low	74.7	Confident	169 Å²	169	75.3 Å²	75.3	64%	0.638	41%	0.406	S	S	*	.	S	Bend	trans	-62.4	-30.7	179.6	-175.2	176.3	178.5	-165	-1.1	114.2	N553 Y556	R492-N553 PolarHBondContact O-N 3.13Å; R492-Y556 HydrophobicContact CB-CD1 3.9Å; R492-Y556 HydrophobicContact CB-CD2 4.18Å; R492-Y556 HydrophobicContact CB-CE1 3.76Å; R492-Y556 HydrophobicContact CB-CE2 4.07Å; R492-Y556 HydrophobicContact CB-CG 4.1Å; R492-Y556 HydrophobicContact CG-CD1 3.82Å; R492-Y556 HydrophobicContact CG-CE1 3.81Å; R492-Y556 HydrophobicContact CG-CG 4.39Å
493	L	75.7	Confident	75.1	Confident	81 Å²	81	75 Å²	75	42%	0.424	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	108.6	-177.1	-68.3	176.9	0	0	0	109.9	V491 R550 I551	V491-L493 VanDerWaalsContact C-N 3.28Å; V491-L493 WeakPolarHBondContact CG1-O 3.47Å; V491-L493 PolarHBondContact O-N 3.12Å; L493-R550 HydrophobicContact CB-CB 4.31Å; L493-R550 HydrophobicContact CD1-CB 4.48Å; L493-I551 CarbonylContact C-O 3.56Å; L493-I551 VanDerWaalsContact CA-O 3.29Å; L493-I551 WeakPolarHBondContact CA-O 3.19Å
494	L	76.8	Confident	75.4	Confident	53 Å²	53	78.8 Å²	78.8	28%	0.277	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	147.1	173.9	-68	168.5	0	0	0	109.8	E488 V491 R550 I551 N553	E488-L494 HydrophobicContact CB-CD2 4.14Å; V491-L494 HydrophobicContact CB-CD2 4.45Å; L494-R550 CarbonylContact O-C 3.6Å; L494-R550 VanDerWaalsContact O-CA 3.31Å; L494-R550 WeakPolarHBondContact O-CA 3.42Å; L494-I551 HydrophobicContact CB-CG1 4.4Å; L494-I551 PolarHBondContact N-O 2.89Å; L494-I551 PolarHBondContact O-N 3.08Å; L494-N553 HydrophobicContact CD1-CB 3.83Å; L494-N553 HydrophobicContact CG-CB 3.98Å
495	E	77.9	Confident	76.3	Confident	80 Å²	80	77.4 Å²	77.4	37%	0.374	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	112.2	171.5	-172.9	166.3	-109.4	0	0	109.4	P497 R500 T549	E495-P497 VanDerWaalsContact O-CD 3.23Å; E495-P497 WeakPolarHBondContact O-CD 3.29Å; E495-R500 VanDerWaalsContact CD-CD 3.45Å; E495-R500 HydrophobicContact CG-CB 4.38Å; E495-R500 WeakPolarHBondContact OE2-CD 3.26Å; E495-R500 IonicContact OE2-CZ 3.48Å; E495-R500 IonicContact OE2-NE 3.87Å; E495-R500 IonicContact OE2-NH1 3.1Å; E495-R500 PolarHBondContact OE2-NH1 2.88Å; E495-T549 CarbonylContact C-O 3.56Å; E495-T549 WeakPolarHBondContact CA-O 3.25Å
496	D	83.3	Confident	77.3	Confident	31 Å²	31	73.8 Å²	73.8	17%	0.166	39%	0.387	C	S	.	.			trans	-66.6	113.2	174.8	179.9	-37.2	0	0	0	109.1	L498 R499 R500 T549 I551	D496-L498 VanDerWaalsContact C-N 3.3Å; D496-L498 PolarHBondContact O-N 3.39Å; D496-L498 WeakPolarHBondContact OD1-CB 3.44Å; D496-L498 PolarHBondContact OD1-N 3.1Å; D496-R499 HydrophobicContact CB-CB 3.97Å; D496-R499 HydrophobicContact CB-CG 4.04Å; D496-R499 VanDerWaalsContact CG-CG 3.42Å; D496-R499 PolarHBondContact OD1-N 3.46Å; D496-R499 WeakPolarHBondContact OD2-CD 3.36Å; D496-R499 VanDerWaalsContact OD2-CG 3.25Å; D496-R499 WeakPolarHBondContact OD2-CG 3.41Å; D496-R499 IonicContact OD2-NE 3.19Å; D496-R499 PolarHBondContact OD2-NE 3.34Å; D496-R500 WeakPolarHBondContact O-CB 3.45Å; D496-R500 PolarHBondContact O-N 2.89Å; D496-T549 PolarHBondContact N-O 3.32Å; D496-I551 HydrophobicContact CB-CD1 4.1Å; D496-I551 HydrophobicContact CB-CG1 4.25Å; D496-I551 HydrophobicContact CB-CG2 4.2Å
497	P	84.6	Confident	78.9	Confident	100 Å²	100	76 Å²	76	65%	0.649	37%	0.371	S	S	*	.	H	α-helix	trans	-64.6	-36.1	-175.4	-22.2	34.5	0	0	0	112.5	E495 R500 Q501	E495-P497 VanDerWaalsContact O-CD 3.23Å; E495-P497 WeakPolarHBondContact O-CD 3.29Å; P497-R500 PolarHBondContact O-N 3.32Å; P497-Q501 WeakPolarHBondContact O-CB 3.21Å; P497-Q501 PolarHBondContact O-N 3.36Å
498	L	86.5	Confident	80.6	Confident	89 Å²	89	75.5 Å²	75.5	47%	0.466	37%	0.37	S	S	.	.	H	α-helix	trans	-69.2	-51	-178.4	-178.8	65.1	0	0	0	109.9	D496 R500 Q501 V502 F530	D496-L498 VanDerWaalsContact C-N 3.3Å; D496-L498 PolarHBondContact O-N 3.39Å; D496-L498 WeakPolarHBondContact OD1-CB 3.44Å; D496-L498 PolarHBondContact OD1-N 3.1Å; L498-R500 VanDerWaalsContact C-N 3.25Å; L498-R500 PolarHBondContact O-N 2.85Å; L498-Q501 WeakPolarHBondContact O-CB 3.3Å; L498-Q501 PolarHBondContact O-N 2.92Å; L498-Q501 VanDerWaalsContact O-N 3.13Å; L498-V502 HydrophobicContact CD1-CG2 4.48Å; L498-V502 WeakPolarHBondContact O-CB 3.5Å; L498-V502 WeakPolarHBondContact O-CG2 3.38Å; L498-V502 PolarHBondContact O-N 3.37Å; L498-F530 HydrophobicContact CD2-CD2 3.82Å; L498-F530 HydrophobicContact CD2-CE2 4.29Å; L498-F530 HydrophobicContact CG-CD2 3.82Å; L498-F530 HydrophobicContact CG-CE2 4.32Å
499	R	89.3	Confident	82.2	Confident	84 Å²	84	69.2 Å²	69.2	32%	0.317	34%	0.341	S	S	.	.	H	α-helix	trans	-59	-37.7	173.8	-66.9	177.8	-171.8	-134.3	-7.7	111.8	D496 R503 F530 E548 T549	D496-R499 HydrophobicContact CB-CB 3.97Å; D496-R499 HydrophobicContact CB-CG 4.04Å; D496-R499 VanDerWaalsContact CG-CG 3.42Å; D496-R499 PolarHBondContact OD1-N 3.46Å; D496-R499 WeakPolarHBondContact OD2-CD 3.36Å; D496-R499 VanDerWaalsContact OD2-CG 3.25Å; D496-R499 WeakPolarHBondContact OD2-CG 3.41Å; D496-R499 IonicContact OD2-NE 3.19Å; D496-R499 PolarHBondContact OD2-NE 3.34Å; R499-R503 VanDerWaalsContact O-CB 3.22Å; R499-R503 WeakPolarHBondContact O-CB 3.09Å; R499-R503 PolarHBondContact O-N 2.99Å; R499-F530 HydrophobicContact CG-CE2 3.81Å; R499-F530 HydrophobicContact CG-CZ 3.91Å; R499-E548 VanDerWaalsContact CD-O 3.26Å; R499-E548 WeakPolarHBondContact CD-O 3.49Å; R499-E548 PolarHBondContact NH1-O 3.34Å; R499-T549 HydrophobicContact CB-CG2 3.94Å
500	R	90.1	Very high	83.8	Confident	141 Å²	141	67.1 Å²	67.1	53%	0.532	33%	0.333	S	S	.	.	H	α-helix	trans	-63.8	-44.2	175.8	170.7	169.6	164.9	-169.8	-8.4	111.8	E495 D496 P497 L498 S504 T549	E495-R500 VanDerWaalsContact CD-CD 3.45Å; E495-R500 HydrophobicContact CG-CB 4.38Å; E495-R500 WeakPolarHBondContact OE2-CD 3.26Å; E495-R500 IonicContact OE2-CZ 3.48Å; E495-R500 IonicContact OE2-NE 3.87Å; E495-R500 IonicContact OE2-NH1 3.1Å; E495-R500 PolarHBondContact OE2-NH1 2.88Å; D496-R500 WeakPolarHBondContact O-CB 3.45Å; D496-R500 PolarHBondContact O-N 2.89Å; P497-R500 PolarHBondContact O-N 3.32Å; L498-R500 VanDerWaalsContact C-N 3.25Å; L498-R500 PolarHBondContact O-N 2.85Å; R500-S504 VanDerWaalsContact O-CB 3.28Å; R500-S504 WeakPolarHBondContact O-CB 3.41Å; R500-S504 PolarHBondContact O-N 3.18Å; R500-T549 HydrophobicContact CB-CG2 4.22Å
501	Q	89.4	Confident	85.2	Confident	108 Å²	108	71.9 Å²	71.9	51%	0.505	35%	0.353	S	S	.	.	H	α-helix	trans	-62.4	-50.2	176.2	-176.9	175.6	1.1	0	0	111	P497 L498 R503 S504 G505	P497-Q501 WeakPolarHBondContact O-CB 3.21Å; P497-Q501 PolarHBondContact O-N 3.36Å; L498-Q501 WeakPolarHBondContact O-CB 3.3Å; L498-Q501 PolarHBondContact O-N 2.92Å; L498-Q501 VanDerWaalsContact O-N 3.13Å; Q501-R503 PolarHBondContact O-N 3.06Å; Q501-S504 PolarHBondContact O-N 2.9Å; Q501-G505 PolarHBondContact O-N 3.02Å
502	V	91.6	Very high	86.2	Confident	4 Å²	4	70.6 Å²	70.6	2%	0.024	35%	0.35	C	S	.	.	H	α-helix	trans	-58.2	-49	178.3	172.2	0	0	0	0	111.2	L498 S504 G505 A506 I527 F530 A544 L547	L498-V502 HydrophobicContact CD1-CG2 4.48Å; L498-V502 WeakPolarHBondContact O-CB 3.5Å; L498-V502 WeakPolarHBondContact O-CG2 3.38Å; L498-V502 PolarHBondContact O-N 3.37Å; V502-S504 PolarHBondContact O-N 2.97Å; V502-G505 PolarHBondContact O-N 3.34Å; V502-A506 WeakPolarHBondContact O-CB 3.5Å; V502-A506 PolarHBondContact O-N 3.09Å; V502-I527 HydrophobicContact CG1-CG1 4.27Å; V502-F530 HydrophobicContact CB-CG 4.36Å; V502-F530 HydrophobicContact CG1-CB 4.33Å; V502-F530 HydrophobicContact CG1-CD1 3.88Å; V502-F530 HydrophobicContact CG1-CE1 4.38Å; V502-F530 HydrophobicContact CG1-CG 4.05Å; V502-F530 HydrophobicContact CG2-CB 3.55Å; V502-F530 HydrophobicContact CG2-CD1 4.31Å; V502-F530 HydrophobicContact CG2-CD2 3.82Å; V502-F530 HydrophobicContact CG2-CG 3.63Å; V502-A544 HydrophobicContact CG1-CB 3.95Å; V502-L547 HydrophobicContact CB-CD1 4.19Å; V502-L547 HydrophobicContact CG1-CD1 3.55Å
503	R	92.6	Very high	86.5	Confident	50 Å²	50	70.9 Å²	70.9	19%	0.189	36%	0.363	C	S	.	.	H	α-helix	trans	-62.2	-41	176.7	-173.6	175.4	75	-165.2	-7.7	112.9	R499 Q501 R507 A544 A545 L547 T549	R499-R503 VanDerWaalsContact O-CB 3.22Å; R499-R503 WeakPolarHBondContact O-CB 3.09Å; R499-R503 PolarHBondContact O-N 2.99Å; Q501-R503 PolarHBondContact O-N 3.06Å; R503-R507 WeakPolarHBondContact O-CB 3.32Å; R503-R507 VanDerWaalsContact O-CG 3.23Å; R503-R507 WeakPolarHBondContact O-CG 3.25Å; R503-R507 PolarHBondContact O-N 2.95Å; R503-A544 VanDerWaalsContact CA-O 3.27Å; R503-A544 WeakPolarHBondContact CA-O 3.28Å; R503-A544 WeakPolarHBondContact CB-O 3.47Å; R503-A545 WeakPolarHBondContact CG-O 3.22Å; R503-L547 HydrophobicContact CB-CB 4.45Å; R503-L547 WeakPolarHBondContact CD-O 3.46Å; R503-L547 PolarHBondContact NH1-O 3.43Å; R503-T549 HydrophobicContact CB-CG2 4.2Å; R503-T549 VanDerWaalsContact CZ-OG1 3.28Å; R503-T549 VanDerWaalsContact NH1-CG2 3.31Å; R503-T549 PolarHBondContact NH1-OG1 3.23Å; R503-T549 PolarHBondContact NH2-OG1 3.4Å
504	S	91.2	Very high	86.8	Confident	80 Å²	80	72 Å²	72	56%	0.559	38%	0.379	S	S	*	.	H	α-helix	trans	-67.7	-38.9	177.3	-166.2	0	0	0	0	111.6	R500 Q501 V502 A508	R500-S504 VanDerWaalsContact O-CB 3.28Å; R500-S504 WeakPolarHBondContact O-CB 3.41Å; R500-S504 PolarHBondContact O-N 3.18Å; Q501-S504 PolarHBondContact O-N 2.9Å; V502-S504 PolarHBondContact O-N 2.97Å; S504-A508 WeakPolarHBondContact O-CB 3.27Å; S504-A508 PolarHBondContact O-N 3.48Å
505	G	90.7	Very high	87.1	Confident	3 Å²	3	71.2 Å²	71.2	3%	0.031	37%	0.374	C	S	.	.	H	α-helix	trans	-65.5	-50.3	177.2	0	0	0	0	0	112.2	Q501 V502 R507 A508 L509	Q501-G505 PolarHBondContact O-N 3.02Å; V502-G505 PolarHBondContact O-N 3.34Å; G505-R507 PolarHBondContact O-N 3.18Å; G505-A508 WeakPolarHBondContact O-CB 3.38Å; G505-A508 PolarHBondContact O-N 2.89Å; G505-A508 VanDerWaalsContact O-N 3.14Å; G505-L509 WeakPolarHBondContact O-CG 3.29Å; G505-L509 PolarHBondContact O-N 3.08Å
506	A	91.6	Very high	87.8	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-60.8	-42.5	177.2	0	0	0	0	0	112.3	V502 A508 L509 L510 I527 L541 A544 A545	V502-A506 WeakPolarHBondContact O-CB 3.5Å; V502-A506 PolarHBondContact O-N 3.09Å; A506-A508 VanDerWaalsContact C-N 3.34Å; A506-A508 PolarHBondContact O-N 3.34Å; A506-L509 PolarHBondContact O-N 3.28Å; A506-L510 WeakPolarHBondContact O-CB 3.39Å; A506-L510 WeakPolarHBondContact O-CG 3.23Å; A506-L510 PolarHBondContact O-N 3.17Å; A506-I527 HydrophobicContact CB-CD1 3.91Å; A506-L541 HydrophobicContact CB-CD2 4.5Å; A506-A544 HydrophobicContact CB-CB 3.37Å; A506-A545 HydrophobicContact CB-CB 4.12Å
507	R	92	Very high	87.9	Confident	123 Å²	123	76 Å²	76	46%	0.464	41%	0.407	S	S	.	.	H	α-helix	trans	-63.5	-37.5	174	-74.1	176.1	-176.2	-162.5	-0.8	112.8	R503 G505 N511 A545	R503-R507 WeakPolarHBondContact O-CB 3.32Å; R503-R507 VanDerWaalsContact O-CG 3.23Å; R503-R507 WeakPolarHBondContact O-CG 3.25Å; R503-R507 PolarHBondContact O-N 2.95Å; G505-R507 PolarHBondContact O-N 3.18Å; R507-N511 WeakPolarHBondContact O-CB 3.26Å; R507-N511 PolarHBondContact O-N 2.91Å; R507-N511 VanDerWaalsContact O-N 3.07Å; R507-N511 PolarHBondContact O-ND2 2.97Å; R507-A545 HydrophobicContact CG-CB 3.73Å; R507-A545 PolarHBondContact NE-O 3.15Å; R507-A545 PolarHBondContact NH2-O 3.03Å
508	A	90.6	Very high	88.1	Confident	31 Å²	31	76.1 Å²	76.1	26%	0.256	41%	0.408	S	S	.	.	H	α-helix	trans	-65.3	-46.5	173.6	0	0	0	0	0	111	S504 G505 A506 L510 N511 A512 L515 L523	S504-A508 WeakPolarHBondContact O-CB 3.27Å; S504-A508 PolarHBondContact O-N 3.48Å; G505-A508 WeakPolarHBondContact O-CB 3.38Å; G505-A508 PolarHBondContact O-N 2.89Å; G505-A508 VanDerWaalsContact O-N 3.14Å; A506-A508 VanDerWaalsContact C-N 3.34Å; A506-A508 PolarHBondContact O-N 3.34Å; A508-L510 VanDerWaalsContact C-N 3.28Å; A508-L510 PolarHBondContact O-N 3.46Å; A508-N511 PolarHBondContact O-N 3.4Å; A508-A512 WeakPolarHBondContact O-CB 3.49Å; A508-A512 PolarHBondContact O-N 3.36Å; A508-L515 HydrophobicContact CB-CD1 4.38Å; A508-L523 HydrophobicContact CB-CD1 3.95Å
509	L	89.4	Confident	88.1	Confident	21 Å²	21	77.3 Å²	77.3	11%	0.11	41%	0.406	C	S	.	.	H	α-helix	trans	-62.1	-31.7	178.6	-70.1	168.5	0	0	0	113.6	G505 A506 L515 R520 L523 L524 I527 L541	G505-L509 WeakPolarHBondContact O-CG 3.29Å; G505-L509 PolarHBondContact O-N 3.08Å; A506-L509 PolarHBondContact O-N 3.28Å; L509-L515 HydrophobicContact CD2-CD1 4.14Å; L509-R520 HydrophobicContact CD2-CG 3.79Å; L509-L523 HydrophobicContact CD1-CB 3.99Å; L509-L523 HydrophobicContact CD2-CB 4.35Å; L509-L523 HydrophobicContact CG-CB 4.15Å; L509-L523 HydrophobicContact CG-CD1 4.42Å; L509-L524 HydrophobicContact CD1-CD2 3.79Å; L509-L524 HydrophobicContact CD1-CG 4.01Å; L509-L524 HydrophobicContact CD2-CG 4.32Å; L509-I527 HydrophobicContact CD1-CD1 3.66Å; L509-L541 HydrophobicContact CD1-CD2 3.94Å
510	L	88.3	Confident	88	Confident	75 Å²	75	77.6 Å²	77.6	39%	0.393	41%	0.407	S	S	.	.	H	α-helix	trans	-85.7	-28	179	-72.2	174.6	0	0	0	115	A506 A508 L541 Q542 A545	A506-L510 WeakPolarHBondContact O-CB 3.39Å; A506-L510 WeakPolarHBondContact O-CG 3.23Å; A506-L510 PolarHBondContact O-N 3.17Å; A508-L510 VanDerWaalsContact C-N 3.28Å; A508-L510 PolarHBondContact O-N 3.46Å; L510-L541 HydrophobicContact CD1-CB 4.3Å; L510-L541 HydrophobicContact CD2-CB 4Å; L510-L541 HydrophobicContact CD2-CD1 4.37Å; L510-L541 HydrophobicContact CG-CB 4.16Å; L510-Q542 HydrophobicContact CD1-CG 4.38Å; L510-A545 HydrophobicContact CD1-CB 3.77Å
511	N	85.9	Confident	87.9	Confident	122 Å²	122	73.7 Å²	73.7	65%	0.652	41%	0.406	S	S	*	.	H	α-helix	trans	-122.6	-2.4	-167.8	-57.3	-87.4	0	0	0	115	R507 A508	R507-N511 WeakPolarHBondContact O-CB 3.26Å; R507-N511 PolarHBondContact O-N 2.91Å; R507-N511 VanDerWaalsContact O-N 3.07Å; R507-N511 PolarHBondContact O-ND2 2.97Å; A508-N511 PolarHBondContact O-N 3.4Å
512	A	82.6	Confident	88	Confident	38 Å²	38	73 Å²	73	31%	0.314	40%	0.402	S	S	.	.			trans	-97.4	118.1	179.5	0	0	0	0	0	111.4	A508 S514 L515	A508-A512 WeakPolarHBondContact O-CB 3.49Å; A508-A512 PolarHBondContact O-N 3.36Å; A512-S514 PolarHBondContact O-N 2.68Å; A512-L515 HydrophobicContact CB-CD1 4.05Å; A512-L515 HydrophobicContact CB-CD2 4Å; A512-L515 HydrophobicContact CB-CG 3.72Å
513	D	75.9	Confident	88	Confident	174 Å²	174	73.6 Å²	73.6	93%	0.93	41%	0.405	S	S	*	.	S	Bend	trans	-60.8	-29.9	-178.1	-53.3	-54.7	0	0	0	113
514	S	82.4	Confident	87.8	Confident	106 Å²	106	73.9 Å²	73.9	74%	0.741	41%	0.41	S	S	*	.			trans	-145.4	122.2	173.6	65.5	0	0	0	0	111.5	A512	A512-S514 PolarHBondContact O-N 2.68Å
515	L	84.3	Confident	87.8	Confident	35 Å²	35	74.4 Å²	74.4	18%	0.183	40%	0.404	C	S	.	.			trans	-121	135.5	170.7	-75.4	169.9	0	0	0	109.2	A508 L509 A512 D517	A508-L515 HydrophobicContact CB-CD1 4.38Å; L509-L515 HydrophobicContact CD2-CD1 4.14Å; A512-L515 HydrophobicContact CB-CD1 4.05Å; A512-L515 HydrophobicContact CB-CD2 4Å; A512-L515 HydrophobicContact CB-CG 3.72Å; L515-D517 PolarHBondContact O-N 3.16Å
516	P	91.1	Very high	87.6	Confident	87 Å²	87	75.1 Å²	75.1	57%	0.565	41%	0.412	S	S	*	.			trans	-58.3	135.4	171.9	-23.1	33.5	0	0	0	111.4	P518 R519 R520	P516-P518 VanDerWaalsContact C-CD 3.5Å; P516-P518 HydrophobicContact CB-CG 4.39Å; P516-R519 CarbonylContact O-C 3.56Å; P516-R519 WeakPolarHBondContact O-CA 3.31Å; P516-R519 WeakPolarHBondContact O-CB 3.32Å; P516-R519 PolarHBondContact O-N 2.78Å; P516-R520 PolarHBondContact O-N 3.18Å
517	D	85.9	Confident	87.6	Confident	124 Å²	124	75.2 Å²	75.2	66%	0.663	41%	0.412	S	S	*	.	H	α-helix	trans	-50.5	-44	-178.6	-61	-44.5	0	0	0	115.5	L515 R519 R520 A521	L515-D517 PolarHBondContact O-N 3.16Å; D517-R519 VanDerWaalsContact C-N 3.27Å; D517-R519 PolarHBondContact O-N 3.3Å; D517-R520 WeakPolarHBondContact O-CB 3.4Å; D517-R520 PolarHBondContact O-N 2.94Å; D517-A521 PolarHBondContact O-N 2.88Å
518	P	89.1	Confident	87.6	Confident	104 Å²	104	72.3 Å²	72.3	68%	0.675	40%	0.402	S	S	*	.	H	α-helix	trans	-61.5	-36.1	175.8	22.8	-34.2	0	0	0	112.5	P516 E522	P516-P518 VanDerWaalsContact C-CD 3.5Å; P516-P518 HydrophobicContact CB-CG 4.39Å; P518-E522 WeakPolarHBondContact O-CB 3.17Å; P518-E522 PolarHBondContact O-N 2.88Å
519	R	86.3	Confident	87.6	Confident	113 Å²	113	75.8 Å²	75.8	43%	0.426	42%	0.417	S	S	.	.	H	α-helix	trans	-73.4	-35.2	176.4	-175.1	58.1	178.9	-174.9	9.7	111.6	P516 D517 E522 L523	P516-R519 CarbonylContact O-C 3.56Å; P516-R519 WeakPolarHBondContact O-CA 3.31Å; P516-R519 WeakPolarHBondContact O-CB 3.32Å; P516-R519 PolarHBondContact O-N 2.78Å; D517-R519 VanDerWaalsContact C-N 3.27Å; D517-R519 PolarHBondContact O-N 3.3Å; R519-E522 WeakPolarHBondContact CD-OE2 3.21Å; R519-E522 IonicContact CZ-OE1 2.75Å; R519-E522 IonicContact CZ-OE2 3.32Å; R519-E522 IonicContact NE-OE2 3.91Å; R519-E522 IonicContact NH1-OE1 2.66Å; R519-E522 PolarHBondContact NH1-OE1 3.45Å; R519-E522 IonicContact NH1-OE2 2.67Å; R519-E522 PolarHBondContact NH1-OE2 2.94Å; R519-L523 HydrophobicContact CG-CD1 4.35Å; R519-L523 WeakPolarHBondContact O-CB 3.46Å; R519-L523 VanDerWaalsContact O-CG 3.26Å; R519-L523 WeakPolarHBondContact O-CG 3.46Å; R519-L523 PolarHBondContact O-N 3.46Å
520	R	86.7	Confident	87.6	Confident	90 Å²	90	77.4 Å²	77.4	34%	0.34	42%	0.423	S	S	.	.	H	α-helix	trans	-62.2	-45.2	173.1	-176.2	-176.8	-66.9	-81.9	2.7	110.9	L509 P516 D517 L523 L524	L509-R520 HydrophobicContact CD2-CG 3.79Å; P516-R520 PolarHBondContact O-N 3.18Å; D517-R520 WeakPolarHBondContact O-CB 3.4Å; D517-R520 PolarHBondContact O-N 2.94Å; R520-L523 PolarHBondContact O-N 2.83Å; R520-L524 HydrophobicContact CG-CD1 4.08Å; R520-L524 WeakPolarHBondContact O-CB 3.43Å; R520-L524 WeakPolarHBondContact O-CG 3.35Å; R520-L524 PolarHBondContact O-N 3.36Å
521	A	88.2	Confident	87.7	Confident	60 Å²	60	76.1 Å²	76.1	50%	0.496	42%	0.415	S	S	.	.	H	α-helix	trans	-62.6	-47.1	177.3	0	0	0	0	0	112.2	D517 L523 L524 Q525	D517-A521 PolarHBondContact O-N 2.88Å; A521-L523 PolarHBondContact O-N 3.37Å; A521-L524 PolarHBondContact O-N 3.07Å; A521-Q525 PolarHBondContact O-N 3.4Å
522	E	91.9	Very high	87.9	Confident	94 Å²	94	77.6 Å²	77.6	44%	0.439	42%	0.422	S	S	.	.	H	α-helix	trans	-56.5	-47.5	175.8	-172.9	-156.9	148.8	0	0	112.2	P518 R519 Q525 G526	P518-E522 WeakPolarHBondContact O-CB 3.17Å; P518-E522 PolarHBondContact O-N 2.88Å; R519-E522 WeakPolarHBondContact CD-OE2 3.21Å; R519-E522 IonicContact CZ-OE1 2.75Å; R519-E522 IonicContact CZ-OE2 3.32Å; R519-E522 IonicContact NE-OE2 3.91Å; R519-E522 IonicContact NH1-OE1 2.66Å; R519-E522 PolarHBondContact NH1-OE1 3.45Å; R519-E522 IonicContact NH1-OE2 2.67Å; R519-E522 PolarHBondContact NH1-OE2 2.94Å; E522-Q525 PolarHBondContact O-N 3.05Å; E522-G526 PolarHBondContact O-N 2.95Å
523	L	90.6	Very high	88.2	Confident	15 Å²	15	78.1 Å²	78.1	8%	0.079	42%	0.422	C	S	.	.	H	α-helix	trans	-68.1	-35.6	-179.9	-68.5	-179.2	0	0	0	112.8	A508 L509 R519 R520 A521 I527	A508-L523 HydrophobicContact CB-CD1 3.95Å; L509-L523 HydrophobicContact CD1-CB 3.99Å; L509-L523 HydrophobicContact CD2-CB 4.35Å; L509-L523 HydrophobicContact CG-CB 4.15Å; L509-L523 HydrophobicContact CG-CD1 4.42Å; R519-L523 HydrophobicContact CG-CD1 4.35Å; R519-L523 WeakPolarHBondContact O-CB 3.46Å; R519-L523 VanDerWaalsContact O-CG 3.26Å; R519-L523 WeakPolarHBondContact O-CG 3.46Å; R519-L523 PolarHBondContact O-N 3.46Å; R520-L523 PolarHBondContact O-N 2.83Å; A521-L523 PolarHBondContact O-N 3.37Å; L523-I527 WeakPolarHBondContact O-CD1 3.37Å; L523-I527 VanDerWaalsContact O-CG1 3.31Å; L523-I527 WeakPolarHBondContact O-CG1 3.45Å; L523-I527 PolarHBondContact O-N 3.01Å
524	L	89.7	Confident	88.6	Confident	56 Å²	56	78.4 Å²	78.4	29%	0.293	42%	0.417	S	S	.	.	H	α-helix	trans	-67.4	-40.9	173.7	-75.8	168.6	0	0	0	111.4	L509 R520 A521 I527 K528 V536	L509-L524 HydrophobicContact CD1-CD2 3.79Å; L509-L524 HydrophobicContact CD1-CG 4.01Å; L509-L524 HydrophobicContact CD2-CG 4.32Å; R520-L524 HydrophobicContact CG-CD1 4.08Å; R520-L524 WeakPolarHBondContact O-CB 3.43Å; R520-L524 WeakPolarHBondContact O-CG 3.35Å; R520-L524 PolarHBondContact O-N 3.36Å; A521-L524 PolarHBondContact O-N 3.07Å; L524-I527 PolarHBondContact O-N 3.19Å; L524-K528 WeakPolarHBondContact O-CG 3.28Å; L524-K528 PolarHBondContact O-N 3.18Å; L524-V536 HydrophobicContact CD2-CB 4.31Å; L524-V536 HydrophobicContact CD2-CG1 4.41Å; L524-V536 HydrophobicContact CD2-CG2 4.41Å
525	Q	89.9	Confident	88.7	Confident	91 Å²	91	76.5 Å²	76.5	43%	0.425	41%	0.408	S	S	.	.	H	α-helix	trans	-62.8	-47.2	177.7	-168.6	59.9	44.3	0	0	111.4	A521 E522 I527 K528 D529	A521-Q525 PolarHBondContact O-N 3.4Å; E522-Q525 PolarHBondContact O-N 3.05Å; Q525-I527 PolarHBondContact O-N 2.93Å; Q525-I527 VanDerWaalsContact O-N 3.08Å; Q525-K528 WeakPolarHBondContact O-CB 3.38Å; Q525-K528 PolarHBondContact O-N 3.08Å; Q525-D529 PolarHBondContact NE2-OD1 3.27Å; Q525-D529 PolarHBondContact O-N 3.12Å
526	G	88.2	Confident	88.8	Confident	19 Å²	19	76.5 Å²	76.5	20%	0.196	41%	0.41	C	S	.	.	H	α-helix	trans	-61.4	-20.7	176.6	0	0	0	0	0	114.7	E522	E522-G526 PolarHBondContact O-N 2.95Å
527	I	90.8	Very high	88.7	Confident	1 Å²	1	75 Å²	75	1%	0.005	40%	0.399	C	S	.	.	H	α-helix	trans	-83.2	-41.7	172.2	-65.6	169.5	0	0	0	110.8	V502 A506 L509 L523 L524 Q525 D529 F530 F531 V536 L541	V502-I527 HydrophobicContact CG1-CG1 4.27Å; A506-I527 HydrophobicContact CB-CD1 3.91Å; L509-I527 HydrophobicContact CD1-CD1 3.66Å; L523-I527 WeakPolarHBondContact O-CD1 3.37Å; L523-I527 VanDerWaalsContact O-CG1 3.31Å; L523-I527 WeakPolarHBondContact O-CG1 3.45Å; L523-I527 PolarHBondContact O-N 3.01Å; L524-I527 PolarHBondContact O-N 3.19Å; Q525-I527 PolarHBondContact O-N 2.93Å; Q525-I527 VanDerWaalsContact O-N 3.08Å; I527-D529 VanDerWaalsContact C-N 3.33Å; I527-D529 PolarHBondContact O-N 2.66Å; I527-F530 PolarHBondContact O-N 3.38Å; I527-F531 HydrophobicContact CG2-CD2 3.85Å; I527-F531 HydrophobicContact CG2-CE2 4.01Å; I527-F531 WeakPolarHBondContact O-CD2 3.12Å; I527-F531 PolarHBondContact O-N 3.17Å; I527-F531 VanDerWaalsContact O-N 3.09Å; I527-V536 HydrophobicContact CB-CG2 4.47Å; I527-V536 HydrophobicContact CG2-CG1 3.82Å; I527-V536 HydrophobicContact CG2-CG2 4.14Å; I527-L541 HydrophobicContact CD1-CD2 3.59Å
528	K	91.5	Very high	88.7	Confident	62 Å²	62	73 Å²	73	27%	0.27	39%	0.393	S	S	.	.	H	α-helix	trans	-55.9	-47.6	172	-72	-174.4	-172.8	-163.2	0	111.9	L524 Q525 F530 F531 N532 T533 E534 V536	L524-K528 WeakPolarHBondContact O-CG 3.28Å; L524-K528 PolarHBondContact O-N 3.18Å; Q525-K528 WeakPolarHBondContact O-CB 3.38Å; Q525-K528 PolarHBondContact O-N 3.08Å; K528-F530 VanDerWaalsContact C-N 3.26Å; K528-F530 PolarHBondContact O-N 3.12Å; K528-F531 PolarHBondContact O-N 3.27Å; K528-N532 VanDerWaalsContact O-CA 3.29Å; K528-N532 WeakPolarHBondContact O-CA 3.19Å; K528-N532 PolarHBondContact O-N 2.95Å; K528-T533 WeakPolarHBondContact CB-O 3.45Å; K528-T533 WeakPolarHBondContact CG-O 3.49Å; K528-T533 PolarHBondContact O-N 2.84Å; K528-T533 VanDerWaalsContact O-N 3.1Å; K528-E534 WeakPolarHBondContact CE-O 3.26Å; K528-E534 PolarHBondContact NZ-O 3.04Å; K528-V536 HydrophobicContact CD-CG2 4.48Å; K528-V536 HydrophobicContact CG-CG2 3.45Å; K528-V536 VanDerWaalsContact CG-CG2 3.45Å
529	D	90.9	Very high	88.6	Confident	105 Å²	105	74.1 Å²	74.1	56%	0.561	39%	0.389	S	S	*	.	H	α-helix	trans	-62.8	-33.8	-179.5	-58.6	-21.5	0	0	0	111.5	Q525 I527	Q525-D529 PolarHBondContact NE2-OD1 3.27Å; Q525-D529 PolarHBondContact O-N 3.12Å; I527-D529 VanDerWaalsContact C-N 3.33Å; I527-D529 PolarHBondContact O-N 2.66Å
530	F	90.4	Very high	88.7	Confident	54 Å²	54	70 Å²	70	24%	0.237	38%	0.375	C	S	.	.	H	α-helix	trans	-75.5	-42.5	179.4	-179.1	-98.4	0	0	0	113.8	L498 R499 V502 I527 K528 N532 L547	L498-F530 HydrophobicContact CD2-CD2 3.82Å; L498-F530 HydrophobicContact CD2-CE2 4.29Å; L498-F530 HydrophobicContact CG-CD2 3.82Å; L498-F530 HydrophobicContact CG-CE2 4.32Å; R499-F530 HydrophobicContact CG-CE2 3.81Å; R499-F530 HydrophobicContact CG-CZ 3.91Å; V502-F530 HydrophobicContact CB-CG 4.36Å; V502-F530 HydrophobicContact CG1-CB 4.33Å; V502-F530 HydrophobicContact CG1-CD1 3.88Å; V502-F530 HydrophobicContact CG1-CE1 4.38Å; V502-F530 HydrophobicContact CG1-CG 4.05Å; V502-F530 HydrophobicContact CG2-CB 3.55Å; V502-F530 HydrophobicContact CG2-CD1 4.31Å; V502-F530 HydrophobicContact CG2-CD2 3.82Å; V502-F530 HydrophobicContact CG2-CG 3.63Å; I527-F530 PolarHBondContact O-N 3.38Å; K528-F530 VanDerWaalsContact C-N 3.26Å; K528-F530 PolarHBondContact O-N 3.12Å; F530-N532 VanDerWaalsContact C-N 3.33Å; F530-L547 HydrophobicContact CD1-CD1 4.35Å; F530-L547 HydrophobicContact CE1-CD1 3.65Å; F530-L547 HydrophobicContact CE1-CD2 4.16Å; F530-L547 HydrophobicContact CZ-CD1 3.9Å; F530-L547 HydrophobicContact CZ-CD2 4.32Å
531	F	89.9	Confident	88.7	Confident	49 Å²	49	66.9 Å²	66.9	22%	0.215	37%	0.365	C	S	.	.	H	α-helix	trans	-87.1	-5	177.1	-71.2	-82.1	0	0	0	113.3	I527 K528 T533 M540 E543 A544	I527-F531 HydrophobicContact CG2-CD2 3.85Å; I527-F531 HydrophobicContact CG2-CE2 4.01Å; I527-F531 WeakPolarHBondContact O-CD2 3.12Å; I527-F531 PolarHBondContact O-N 3.17Å; I527-F531 VanDerWaalsContact O-N 3.09Å; K528-F531 PolarHBondContact O-N 3.27Å; F531-T533 HydrophobicContact CB-CG2 4.06Å; F531-T533 WeakPolarHBondContact O-CG2 3.38Å; F531-M540 HydrophobicContact CB-CE 3.36Å; F531-M540 HydrophobicContact CD1-CE 4.07Å; F531-M540 HydrophobicContact CD2-CE 3.73Å; F531-M540 HydrophobicContact CG-CE 3.46Å; F531-M540 VanDerWaalsContact CG-CE 3.46Å; F531-E543 HydrophobicContact CE1-CG 4.44Å; F531-E543 HydrophobicContact CZ-CG 4.31Å; F531-A544 HydrophobicContact CE2-CB 3.98Å; F531-A544 HydrophobicContact CZ-CB 4.31Å
532	N	88.9	Confident	88.8	Confident	152 Å²	152	70.6 Å²	70.6	81%	0.813	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	49.9	-173.8	-167.5	46.5	0	0	0	112.5	K528 F530	K528-N532 VanDerWaalsContact O-CA 3.29Å; K528-N532 WeakPolarHBondContact O-CA 3.19Å; K528-N532 PolarHBondContact O-N 2.95Å; F530-N532 VanDerWaalsContact C-N 3.33Å
533	T	89.9	Confident	88.6	Confident	50 Å²	50	71.6 Å²	71.6	31%	0.307	38%	0.377	S	S	.	.			trans	-128.1	149.7	-179.2	70.4	0	0	0	0	113.5	K528 F531 A535 M540	K528-T533 WeakPolarHBondContact CB-O 3.45Å; K528-T533 WeakPolarHBondContact CG-O 3.49Å; K528-T533 PolarHBondContact O-N 2.84Å; K528-T533 VanDerWaalsContact O-N 3.1Å; F531-T533 HydrophobicContact CB-CG2 4.06Å; F531-T533 WeakPolarHBondContact O-CG2 3.38Å; T533-A535 WeakPolarHBondContact CB-O 3.16Å; T533-A535 PolarHBondContact OG1-O 3.02Å; T533-M540 HydrophobicContact CG2-CE 3.87Å; T533-M540 WeakPolarHBondContact OG1-CE 3.28Å
534	E	83.4	Confident	88.6	Confident	179 Å²	179	70.9 Å²	70.9	84%	0.836	37%	0.373	S	S	*	.	S	Bend	trans	-78.8	-22.9	177	-61	-173.2	167.8	0	0	113.2	K528	K528-E534 WeakPolarHBondContact CE-O 3.26Å; K528-E534 PolarHBondContact NZ-O 3.04Å
535	A	85.5	Confident	88.6	Confident	67 Å²	67	68.9 Å²	68.9	55%	0.554	36%	0.364	S	S	*	.	S	Bend	trans	-127.3	146.6	179.7	0	0	0	0	0	111.3	T533	T533-A535 WeakPolarHBondContact CB-O 3.16Å; T533-A535 PolarHBondContact OG1-O 3.02Å
536	V	86.1	Confident	88.5	Confident	34 Å²	34	67.3 Å²	67.3	21%	0.206	37%	0.373	C	S	.	.			trans	-112.2	121.7	177.8	-176.3	0	0	0	0	108.3	L524 I527 K528 M540 L541	L524-V536 HydrophobicContact CD2-CB 4.31Å; L524-V536 HydrophobicContact CD2-CG1 4.41Å; L524-V536 HydrophobicContact CD2-CG2 4.41Å; I527-V536 HydrophobicContact CB-CG2 4.47Å; I527-V536 HydrophobicContact CG2-CG1 3.82Å; I527-V536 HydrophobicContact CG2-CG2 4.14Å; K528-V536 HydrophobicContact CD-CG2 4.48Å; K528-V536 HydrophobicContact CG-CG2 3.45Å; K528-V536 VanDerWaalsContact CG-CG2 3.45Å; V536-M540 HydrophobicContact CG1-CB 4.33Å; V536-L541 HydrophobicContact CG1-CD2 3.66Å; V536-L541 HydrophobicContact CG1-CG 3.86Å
537	T	89.4	Confident	88.5	Confident	56 Å²	56	67.6 Å²	67.6	34%	0.344	37%	0.369	S	S	.	.			trans	-92.8	162.3	177.1	84.9	0	0	0	0	111.8	E539 M540 L541	T537-E539 WeakPolarHBondContact CB-OE2 3.23Å; T537-E539 PolarHBondContact O-N 2.89Å; T537-E539 PolarHBondContact OG1-N 3.32Å; T537-E539 PolarHBondContact OG1-OE2 3.03Å; T537-M540 HydrophobicContact CG2-CG 4.48Å; T537-M540 HydrophobicContact CG2-SD 4.1Å; T537-M540 PolarHBondContact O-N 2.89Å; T537-M540 WeakPolarHBondContact OG1-CG 3.23Å; T537-M540 PolarHBondContact OG1-N 3.21Å; T537-L541 PolarHBondContact O-N 2.84Å; T537-L541 VanDerWaalsContact O-N 3.11Å
538	P	85.8	Confident	88.2	Confident	81 Å²	81	73 Å²	73	53%	0.526	40%	0.395	S	S	.	.	H	α-helix	trans	-57.4	-33.4	174.1	-25	35.9	0	0	0	113.6	L541 Q542	P538-L541 WeakPolarHBondContact O-CB 3.37Å; P538-L541 PolarHBondContact O-N 3.19Å; P538-Q542 PolarHBondContact O-N 3.21Å; P538-Q542 VanDerWaalsContact O-N 3.11Å
539	E	87.3	Confident	87.9	Confident	128 Å²	128	70.1 Å²	70.1	60%	0.598	38%	0.382	S	S	*	.	H	α-helix	trans	-68	-44.6	178	-56.8	67.6	-141.8	0	0	110.3	T537 L541 Q542 E543	T537-E539 WeakPolarHBondContact CB-OE2 3.23Å; T537-E539 PolarHBondContact O-N 2.89Å; T537-E539 PolarHBondContact OG1-N 3.32Å; T537-E539 PolarHBondContact OG1-OE2 3.03Å; E539-L541 VanDerWaalsContact C-N 3.26Å; E539-L541 PolarHBondContact O-N 2.96Å; E539-Q542 PolarHBondContact O-N 2.98Å; E539-Q542 VanDerWaalsContact O-N 3.07Å; E539-E543 PolarHBondContact O-N 3.37Å
540	M	86.8	Confident	87.5	Confident	27 Å²	27	72.3 Å²	72.3	13%	0.133	38%	0.383	C	S	.	.	H	α-helix	trans	-60.6	-35	173.7	-62.2	176.5	71	0	0	112.1	F531 T533 V536 T537 A544	F531-M540 HydrophobicContact CB-CE 3.36Å; F531-M540 HydrophobicContact CD1-CE 4.07Å; F531-M540 HydrophobicContact CD2-CE 3.73Å; F531-M540 HydrophobicContact CG-CE 3.46Å; F531-M540 VanDerWaalsContact CG-CE 3.46Å; T533-M540 HydrophobicContact CG2-CE 3.87Å; T533-M540 WeakPolarHBondContact OG1-CE 3.28Å; V536-M540 HydrophobicContact CG1-CB 4.33Å; T537-M540 HydrophobicContact CG2-CG 4.48Å; T537-M540 HydrophobicContact CG2-SD 4.1Å; T537-M540 PolarHBondContact O-N 2.89Å; T537-M540 WeakPolarHBondContact OG1-CG 3.23Å; T537-M540 PolarHBondContact OG1-N 3.21Å; M540-A544 WeakPolarHBondContact O-CB 3.36Å; M540-A544 PolarHBondContact O-N 3.42Å
541	L	88.2	Confident	87.1	Confident	25 Å²	25	72.7 Å²	72.7	13%	0.131	39%	0.387	C	S	.	.	H	α-helix	trans	-66.5	-39.1	173.6	-67.6	178	0	0	0	112	A506 L509 L510 I527 V536 T537 P538 E539 A545	A506-L541 HydrophobicContact CB-CD2 4.5Å; L509-L541 HydrophobicContact CD1-CD2 3.94Å; L510-L541 HydrophobicContact CD1-CB 4.3Å; L510-L541 HydrophobicContact CD2-CB 4Å; L510-L541 HydrophobicContact CD2-CD1 4.37Å; L510-L541 HydrophobicContact CG-CB 4.16Å; I527-L541 HydrophobicContact CD1-CD2 3.59Å; V536-L541 HydrophobicContact CG1-CD2 3.66Å; V536-L541 HydrophobicContact CG1-CG 3.86Å; T537-L541 PolarHBondContact O-N 2.84Å; T537-L541 VanDerWaalsContact O-N 3.11Å; P538-L541 WeakPolarHBondContact O-CB 3.37Å; P538-L541 PolarHBondContact O-N 3.19Å; E539-L541 VanDerWaalsContact C-N 3.26Å; E539-L541 PolarHBondContact O-N 2.96Å; L541-A545 VanDerWaalsContact O-CB 3.28Å; L541-A545 WeakPolarHBondContact O-CB 3.45Å; L541-A545 PolarHBondContact O-N 3.29Å
542	Q	89.3	Confident	86.5	Confident	138 Å²	138	74.8 Å²	74.8	65%	0.645	41%	0.406	S	S	*	.	H	α-helix	trans	-68	-42.7	175.6	-68.7	-171.4	16	0	0	111.7	L510 P538 E539 A545 G546	L510-Q542 HydrophobicContact CD1-CG 4.38Å; P538-Q542 PolarHBondContact O-N 3.21Å; P538-Q542 VanDerWaalsContact O-N 3.11Å; E539-Q542 PolarHBondContact O-N 2.98Å; E539-Q542 VanDerWaalsContact O-N 3.07Å; Q542-A545 PolarHBondContact O-N 2.85Å; Q542-G546 PolarHBondContact O-N 2.69Å
543	E	88.9	Confident	86.1	Confident	115 Å²	115	68.6 Å²	68.6	54%	0.537	37%	0.373	S	S	.	.	H	α-helix	trans	-58.9	-51	173.7	-173.4	-179	167.6	0	0	111.1	F531 E539 A545 G546 L547	F531-E543 HydrophobicContact CE1-CG 4.44Å; F531-E543 HydrophobicContact CZ-CG 4.31Å; E539-E543 PolarHBondContact O-N 3.37Å; E543-A545 VanDerWaalsContact C-N 3.32Å; E543-A545 PolarHBondContact O-N 3.28Å; E543-G546 CarbonylContact O-C 3.29Å; E543-G546 WeakPolarHBondContact O-CA 3.34Å; E543-G546 PolarHBondContact O-N 3.4Å; E543-L547 PolarHBondContact O-N 3.19Å; E543-L547 VanDerWaalsContact O-N 3.08Å
544	A	89.6	Confident	85.4	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-55.3	-44.7	175.6	0	0	0	0	0	112.4	V502 R503 A506 F531 M540 G546 L547	V502-A544 HydrophobicContact CG1-CB 3.95Å; R503-A544 VanDerWaalsContact CA-O 3.27Å; R503-A544 WeakPolarHBondContact CA-O 3.28Å; R503-A544 WeakPolarHBondContact CB-O 3.47Å; A506-A544 HydrophobicContact CB-CB 3.37Å; F531-A544 HydrophobicContact CE2-CB 3.98Å; F531-A544 HydrophobicContact CZ-CB 4.31Å; M540-A544 WeakPolarHBondContact O-CB 3.36Å; M540-A544 PolarHBondContact O-N 3.42Å; A544-G546 PolarHBondContact O-N 3.38Å; A544-L547 WeakPolarHBondContact O-CB 3.21Å; A544-L547 WeakPolarHBondContact O-CG 3.27Å; A544-L547 PolarHBondContact O-N 2.81Å
545	A	89.5	Confident	85	Confident	14 Å²	14	71.3 Å²	71.3	12%	0.116	39%	0.392	C	S	.	.	H	α-helix	trans	-67.4	-21.8	177.1	0	0	0	0	0	113.5	R503 A506 R507 L510 L541 Q542 E543	R503-A545 WeakPolarHBondContact CG-O 3.22Å; A506-A545 HydrophobicContact CB-CB 4.12Å; R507-A545 HydrophobicContact CG-CB 3.73Å; R507-A545 PolarHBondContact NE-O 3.15Å; R507-A545 PolarHBondContact NH2-O 3.03Å; L510-A545 HydrophobicContact CD1-CB 3.77Å; L541-A545 VanDerWaalsContact O-CB 3.28Å; L541-A545 WeakPolarHBondContact O-CB 3.45Å; L541-A545 PolarHBondContact O-N 3.29Å; Q542-A545 PolarHBondContact O-N 2.85Å; E543-A545 VanDerWaalsContact C-N 3.32Å; E543-A545 PolarHBondContact O-N 3.28Å
546	G	87.7	Confident	84.6	Confident	58 Å²	58	71.9 Å²	71.9	60%	0.598	38%	0.381	S	S	*	.	H	α-helix	trans	-89.3	-11.8	175.6	0	0	0	0	0	115.6	Q542 E543 A544 E548	Q542-G546 PolarHBondContact O-N 2.69Å; E543-G546 CarbonylContact O-C 3.29Å; E543-G546 WeakPolarHBondContact O-CA 3.34Å; E543-G546 PolarHBondContact O-N 3.4Å; A544-G546 PolarHBondContact O-N 3.38Å; G546-E548 PolarHBondContact O-N 2.95Å
547	L	89.4	Confident	84.2	Confident	24 Å²	24	73.3 Å²	73.3	13%	0.126	39%	0.387	C	S	.	.			trans	-49.9	133.3	-173	-75	170	0	0	0	113.9	V502 R503 F530 E543 A544 T549	V502-L547 HydrophobicContact CB-CD1 4.19Å; V502-L547 HydrophobicContact CG1-CD1 3.55Å; R503-L547 HydrophobicContact CB-CB 4.45Å; R503-L547 WeakPolarHBondContact CD-O 3.46Å; R503-L547 PolarHBondContact NH1-O 3.43Å; F530-L547 HydrophobicContact CD1-CD1 4.35Å; F530-L547 HydrophobicContact CE1-CD1 3.65Å; F530-L547 HydrophobicContact CE1-CD2 4.16Å; F530-L547 HydrophobicContact CZ-CD1 3.9Å; F530-L547 HydrophobicContact CZ-CD2 4.32Å; E543-L547 PolarHBondContact O-N 3.19Å; E543-L547 VanDerWaalsContact O-N 3.08Å; A544-L547 WeakPolarHBondContact O-CB 3.21Å; A544-L547 WeakPolarHBondContact O-CG 3.27Å; A544-L547 PolarHBondContact O-N 2.81Å; L547-T549 PolarHBondContact O-N 3.06Å
548	E	84.6	Confident	83.9	Confident	115 Å²	115	72.3 Å²	72.3	54%	0.537	38%	0.381	S	S	.	.			trans	-75.2	117.6	164.7	-175.8	51.9	-91.1	0	0	108.8	R499 G546 R550	R499-E548 VanDerWaalsContact CD-O 3.26Å; R499-E548 WeakPolarHBondContact CD-O 3.49Å; R499-E548 PolarHBondContact NH1-O 3.34Å; G546-E548 PolarHBondContact O-N 2.95Å; E548-R550 WeakPolarHBondContact OE1-CB 3.15Å; E548-R550 PolarHBondContact OE1-N 2.86Å
549	T	84.8	Confident	84	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.006	36%	0.36	C	S	.	.			trans	-95.7	-8.5	-177.6	62.8	0	0	0	0	112	E495 D496 R499 R500 R503 L547	E495-T549 CarbonylContact C-O 3.56Å; E495-T549 WeakPolarHBondContact CA-O 3.25Å; D496-T549 PolarHBondContact N-O 3.32Å; R499-T549 HydrophobicContact CB-CG2 3.94Å; R500-T549 HydrophobicContact CB-CG2 4.22Å; R503-T549 HydrophobicContact CB-CG2 4.2Å; R503-T549 VanDerWaalsContact CZ-OG1 3.28Å; R503-T549 VanDerWaalsContact NH1-CG2 3.31Å; R503-T549 PolarHBondContact NH1-OG1 3.23Å; R503-T549 PolarHBondContact NH2-OG1 3.4Å; L547-T549 PolarHBondContact O-N 3.06Å
550	R	82.9	Confident	84.1	Confident	151 Å²	151	63.5 Å²	63.5	57%	0.57	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	98.8	177.2	-69.3	-179.5	177.8	175.7	-0.9	109.7	L493 L494 E548	L493-R550 HydrophobicContact CB-CB 4.31Å; L493-R550 HydrophobicContact CD1-CB 4.48Å; L494-R550 CarbonylContact O-C 3.6Å; L494-R550 VanDerWaalsContact O-CA 3.31Å; L494-R550 WeakPolarHBondContact O-CA 3.42Å; E548-R550 WeakPolarHBondContact OE1-CB 3.15Å; E548-R550 PolarHBondContact OE1-N 2.86Å
551	I	82.3	Confident	84.3	Confident	63 Å²	63	64.1 Å²	64.1	32%	0.323	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	148.8	178.4	59.5	172.2	0	0	0	110.2	L493 L494 D496 N553	L493-I551 CarbonylContact C-O 3.56Å; L493-I551 VanDerWaalsContact CA-O 3.29Å; L493-I551 WeakPolarHBondContact CA-O 3.19Å; L494-I551 HydrophobicContact CB-CG1 4.4Å; L494-I551 PolarHBondContact N-O 2.89Å; L494-I551 PolarHBondContact O-N 3.08Å; D496-I551 HydrophobicContact CB-CD1 4.1Å; D496-I551 HydrophobicContact CB-CG1 4.25Å; D496-I551 HydrophobicContact CB-CG2 4.2Å; I551-N553 PolarHBondContact O-N 3.07Å
552	C	77.1	Confident	84.4	Confident	92 Å²	92	66 Å²	66	62%	0.622	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	131.6	172.1	-70.9	0	0	0	0	109.7	E554	C552-E554 PolarHBondContact O-N 3.43Å
553	N	78.9	Confident	84.6	Confident	23 Å²	23	59.5 Å²	59.5	12%	0.123	31%	0.314	C	S	.	.			trans	-77.4	113	169.9	-179	-4.4	0	0	0	108.9	E488 V491 R492 L494 I551 S555 Y556	E488-N553 PolarHBondContact O-ND2 2.96Å; V491-N553 VanDerWaalsContact O-CB 3.26Å; V491-N553 WeakPolarHBondContact O-CB 3.45Å; V491-N553 PolarHBondContact O-ND2 3.24Å; R492-N553 PolarHBondContact O-N 3.13Å; L494-N553 HydrophobicContact CD1-CB 3.83Å; L494-N553 HydrophobicContact CG-CB 3.98Å; I551-N553 PolarHBondContact O-N 3.07Å; N553-S555 PolarHBondContact O-N 3.34Å; N553-S555 PolarHBondContact OD1-N 2.88Å; N553-Y556 WeakPolarHBondContact O-CB 3.33Å; N553-Y556 PolarHBondContact O-N 3.22Å
554	E	76.9	Confident	84.8	Confident	195 Å²	195	54 Å²	54	91%	0.911	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-27.8	-179.4	-61.1	-174.5	166.2	0	0	112.5	C552 Y556	C552-E554 PolarHBondContact O-N 3.43Å; E554-Y556 VanDerWaalsContact C-N 3.28Å; E554-Y556 PolarHBondContact O-N 3.48Å
555	S	73.2	Confident	84.9	Confident	91 Å²	91	57.5 Å²	57.5	64%	0.636	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	3.1	176	-59.2	0	0	0	0	113.6	N553 I557	N553-S555 PolarHBondContact O-N 3.34Å; N553-S555 PolarHBondContact OD1-N 2.88Å; S555-I557 PolarHBondContact O-N 2.89Å; S555-I557 VanDerWaalsContact O-N 3.17Å
556	Y	77.5	Confident	85.1	Confident	78 Å²	78	58.4 Å²	58.4	31%	0.306	31%	0.31	S	S	.	.			trans	-69.7	111.4	-176.1	172.9	-109.5	0	0	0	112.8	G490 R492 N553 E554 P558	G490-Y556 WeakPolarHBondContact O-CE2 3.42Å; R492-Y556 HydrophobicContact CB-CD1 3.9Å; R492-Y556 HydrophobicContact CB-CD2 4.18Å; R492-Y556 HydrophobicContact CB-CE1 3.76Å; R492-Y556 HydrophobicContact CB-CE2 4.07Å; R492-Y556 HydrophobicContact CB-CG 4.1Å; R492-Y556 HydrophobicContact CG-CD1 3.82Å; R492-Y556 HydrophobicContact CG-CE1 3.81Å; R492-Y556 HydrophobicContact CG-CG 4.39Å; N553-Y556 WeakPolarHBondContact O-CB 3.33Å; N553-Y556 PolarHBondContact O-N 3.22Å; E554-Y556 VanDerWaalsContact C-N 3.28Å; E554-Y556 PolarHBondContact O-N 3.48Å; Y556-P558 HydrophobicContact CE1-CG 3.74Å
557	I	78.3	Confident	85.3	Confident	65 Å²	65	56.3 Å²	56.3	33%	0.333	28%	0.284	S	S	.	.			trans	-112.4	120.1	168.5	-57.7	172.2	0	0	0	108.4	S555 H559 L561 K562	S555-I557 PolarHBondContact O-N 2.89Å; S555-I557 VanDerWaalsContact O-N 3.17Å; I557-H559 PolarHBondContact O-N 2.88Å; I557-L561 HydrophobicContact CG2-CD2 4.41Å; I557-K562 HydrophobicContact CG2-CB 3.89Å; I557-K562 HydrophobicContact CG2-CD 4.43Å
558	P	82.9	Confident	85.4	Confident	34 Å²	34	55.6 Å²	55.6	22%	0.221	28%	0.282	C	S	.	.			trans	-57	130.8	173.6	-22.4	30.6	0	0	0	111.6	Y556 G560 L561 K562	Y556-P558 HydrophobicContact CE1-CG 3.74Å; P558-G560 VanDerWaalsContact C-N 3.27Å; P558-G560 PolarHBondContact O-N 3.39Å; P558-G560 VanDerWaalsContact O-N 3.16Å; P558-L561 HydrophobicContact CB-CB 4.14Å; P558-L561 HydrophobicContact CG-CB 4.41Å; P558-L561 WeakPolarHBondContact O-CA 3.49Å; P558-L561 WeakPolarHBondContact O-CB 3.13Å; P558-L561 PolarHBondContact O-N 2.87Å; P558-K562 PolarHBondContact O-N 3.13Å
559	H	88.2	Confident	85.7	Confident	21 Å²	21	58.9 Å²	58.9	10%	0.097	29%	0.294	C	S	.	.	H	α-helix	trans	-45.1	-50.2	177.1	170	85.7	0	0	0	112.8	Y439 K474 A483 I485 I557 L561 K562 V563	Y439-H559 AromaticContact CE1-CD2 3.75Å; Y439-H559 AromaticContact CE1-NE2 3.61Å; Y439-H559 AromaticContact CZ-CD2 3.8Å; Y439-H559 AromaticContact CZ-NE2 3.58Å; Y439-H559 PolarHBondContact OH-CD2 2.84Å; Y439-H559 VanDerWaalsContact OH-CD2 3.24Å; Y439-H559 PolarHBondContact OH-NE2 3.27Å; K474-H559 PolarHBondContact O-CE1 3.23Å; A483-H559 WeakPolarHBondContact CB-ND1 3.49Å; A483-H559 PolarHBondContact O-ND1 2.96Å; I485-H559 HydrophobicContact CG1-CB 4.31Å; I485-H559 WeakPolarHBondContact CG1-ND1 3.47Å; I557-H559 PolarHBondContact O-N 2.88Å; H559-L561 VanDerWaalsContact C-N 3.3Å; H559-L561 PolarHBondContact O-N 3Å; H559-K562 PolarHBondContact O-N 3.29Å; H559-V563 WeakPolarHBondContact O-CG2 3.45Å; H559-V563 PolarHBondContact O-N 3.15Å
560	G	89.3	Confident	85.8	Confident	4 Å²	4	60.9 Å²	60.9	4%	0.041	32%	0.315	C	S	.	.	H	α-helix	trans	-62.9	-31.3	-180	0	0	0	0	0	114.4	P558 V564	P558-G560 VanDerWaalsContact C-N 3.27Å; P558-G560 PolarHBondContact O-N 3.39Å; P558-G560 VanDerWaalsContact O-N 3.16Å; G560-V564 WeakPolarHBondContact O-CB 3.37Å; G560-V564 WeakPolarHBondContact O-CG2 3.48Å; G560-V564 PolarHBondContact O-N 3.21Å
561	L	89.9	Confident	86.1	Confident	39 Å²	39	54.2 Å²	54.2	20%	0.204	29%	0.294	C	S	.	.	H	α-helix	trans	-70.4	-48.2	172.7	176.2	60.9	0	0	0	110.6	H442 I557 P558 H559 V563 V564 Q565	H442-L561 HydrophobicContact CB-CD1 4.27Å; H442-L561 PolarHBondContact CD2-N 2.8Å; I557-L561 HydrophobicContact CG2-CD2 4.41Å; P558-L561 HydrophobicContact CB-CB 4.14Å; P558-L561 HydrophobicContact CG-CB 4.41Å; P558-L561 WeakPolarHBondContact O-CA 3.49Å; P558-L561 WeakPolarHBondContact O-CB 3.13Å; P558-L561 PolarHBondContact O-N 2.87Å; H559-L561 VanDerWaalsContact C-N 3.3Å; H559-L561 PolarHBondContact O-N 3Å; L561-V563 PolarHBondContact O-N 3.35Å; L561-V564 PolarHBondContact O-N 3.3Å; L561-Q565 HydrophobicContact CD1-CG 3.99Å; L561-Q565 HydrophobicContact CG-CG 4.28Å; L561-Q565 WeakPolarHBondContact O-CB 3.31Å; L561-Q565 WeakPolarHBondContact O-CG 3.41Å; L561-Q565 PolarHBondContact O-N 3.24Å
562	K	90.4	Very high	86.5	Confident	66 Å²	66	51.3 Å²	51.3	29%	0.287	28%	0.279	S	S	.	.	H	α-helix	trans	-58.7	-46.5	-178.8	-176.1	67.6	172.4	-163.1	0	111.9	A483 I557 P558 H559 Q565 C566	A483-K562 HydrophobicContact CB-CB 3.86Å; A483-K562 HydrophobicContact CB-CG 3.69Å; I557-K562 HydrophobicContact CG2-CB 3.89Å; I557-K562 HydrophobicContact CG2-CD 4.43Å; P558-K562 PolarHBondContact O-N 3.13Å; H559-K562 PolarHBondContact O-N 3.29Å; K562-Q565 PolarHBondContact O-N 3.4Å; K562-C566 PolarHBondContact O-N 2.95Å; K562-C566 PolarHBondContact O-SG 3.23Å; K562-C566 VanDerWaalsContact O-SG 3.37Å
563	V	93.6	Very high	87.2	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-47.9	176.8	174.6	0	0	0	0	110.7	Y439 L477 F481 A483 H559 L561 Q565 C566 F567 L578	Y439-V563 HydrophobicContact CD1-CB 4.14Å; Y439-V563 HydrophobicContact CD1-CG1 4.17Å; Y439-V563 HydrophobicContact CE1-CB 3.9Å; Y439-V563 HydrophobicContact CE1-CG1 4.01Å; Y439-V563 HydrophobicContact CE1-CG2 4.12Å; L477-V563 HydrophobicContact CB-CG2 4.24Å; L477-V563 HydrophobicContact CD2-CG1 4.32Å; F481-V563 HydrophobicContact CD2-CG1 4.22Å; F481-V563 HydrophobicContact CD2-CG2 4.48Å; A483-V563 HydrophobicContact CB-CG2 3.61Å; H559-V563 WeakPolarHBondContact O-CG2 3.45Å; H559-V563 PolarHBondContact O-N 3.15Å; L561-V563 PolarHBondContact O-N 3.35Å; V563-Q565 VanDerWaalsContact C-N 3.34Å; V563-Q565 PolarHBondContact O-N 3.14Å; V563-C566 PolarHBondContact O-N 3.48Å; V563-C566 VanDerWaalsContact O-N 3.14Å; V563-F567 HydrophobicContact CG1-CD2 3.84Å; V563-F567 HydrophobicContact CG1-CE2 3.82Å; V563-F567 WeakPolarHBondContact O-CD2 3.42Å; V563-F567 PolarHBondContact O-N 3.03Å; V563-L578 HydrophobicContact CG1-CD1 4.19Å; V563-L578 HydrophobicContact CG1-CD2 4.19Å
564	V	93.5	Very high	87.8	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.8	-36.8	179.5	172.9	0	0	0	0	112	Y439 H442 F443 G560 L561 F567 A568 L575 L578 L620	Y439-V564 HydrophobicContact CD1-CG2 4.31Å; H442-V564 HydrophobicContact CB-CB 4.06Å; H442-V564 HydrophobicContact CB-CG1 3.92Å; H442-V564 HydrophobicContact CB-CG2 4.28Å; H442-V564 WeakPolarHBondContact O-CG1 3.13Å; F443-V564 HydrophobicContact CD1-CG1 4.21Å; F443-V564 HydrophobicContact CD1-CG2 3.98Å; F443-V564 HydrophobicContact CE1-CG2 3.83Å; G560-V564 WeakPolarHBondContact O-CB 3.37Å; G560-V564 WeakPolarHBondContact O-CG2 3.48Å; G560-V564 PolarHBondContact O-N 3.21Å; L561-V564 PolarHBondContact O-N 3.3Å; V564-F567 PolarHBondContact O-N 3.41Å; V564-A568 VanDerWaalsContact O-CB 3.25Å; V564-A568 WeakPolarHBondContact O-CB 3.38Å; V564-A568 PolarHBondContact O-N 2.94Å; V564-L575 HydrophobicContact CG1-CD2 3.92Å; V564-L578 HydrophobicContact CG2-CD2 3.86Å; V564-L620 HydrophobicContact CG1-CD1 4.02Å; V564-L620 HydrophobicContact CG1-CD2 4.25Å
565	Q	92.6	Very high	88.5	Confident	74 Å²	74	44.2 Å²	44.2	35%	0.346	23%	0.234	S	C	.	.	H	α-helix	trans	-60.7	-41.5	171.3	-77.2	173	-20	0	0	112.5	L561 K562 V563 K569 L620	L561-Q565 HydrophobicContact CD1-CG 3.99Å; L561-Q565 HydrophobicContact CG-CG 4.28Å; L561-Q565 WeakPolarHBondContact O-CB 3.31Å; L561-Q565 WeakPolarHBondContact O-CG 3.41Å; L561-Q565 PolarHBondContact O-N 3.24Å; K562-Q565 PolarHBondContact O-N 3.4Å; V563-Q565 VanDerWaalsContact C-N 3.34Å; V563-Q565 PolarHBondContact O-N 3.14Å; Q565-K569 PolarHBondContact O-N 3.33Å; Q565-L620 HydrophobicContact CB-CD1 4.25Å; Q565-L620 HydrophobicContact CG-CD1 3.71Å
566	C	92.4	Very high	89.5	Confident	33 Å²	33	40.5 Å²	40.5	22%	0.223	21%	0.207	C	C	.	.	H	α-helix	trans	-65.2	-43.9	176.7	-70.6	0	0	0	0	112	F481 K562 V563	F481-C566 HydrophobicContact CB-CB 4.29Å; F481-C566 HydrophobicContact CD1-CB 3.45Å; F481-C566 VanDerWaalsContact CD1-CB 3.45Å; F481-C566 HydrophobicContact CE1-CB 4.05Å; F481-C566 HydrophobicContact CG-CB 4.04Å; K562-C566 PolarHBondContact O-N 2.95Å; K562-C566 PolarHBondContact O-SG 3.23Å; K562-C566 VanDerWaalsContact O-SG 3.37Å; V563-C566 PolarHBondContact O-N 3.48Å; V563-C566 VanDerWaalsContact O-N 3.14Å
567	F	93.2	Very high	90.3	Very high	14 Å²	14	42.2 Å²	42.2	6%	0.061	22%	0.217	C	C	.	.	H	α-helix	trans	-69.2	-35.8	175.6	-80.4	-80.6	0	0	0	113.3	L477 F481 V563 V564 K569 G570 S574 L575 L578	L477-F567 HydrophobicContact CD2-CE2 4.2Å; F481-F567 HydrophobicContact CD2-CE2 4.1Å; F481-F567 HydrophobicContact CE1-CE2 4.29Å; F481-F567 HydrophobicContact CE1-CZ 4.48Å; F481-F567 HydrophobicContact CE2-CD2 4.18Å; F481-F567 AromaticContact CE2-CE2 3.26Å; F481-F567 HydrophobicContact CE2-CE2 3.26Å; F481-F567 AromaticContact CE2-CZ 3.58Å; F481-F567 HydrophobicContact CE2-CZ 3.58Å; F481-F567 HydrophobicContact CZ-CD2 4.09Å; F481-F567 HydrophobicContact CZ-CE1 4.13Å; F481-F567 AromaticContact CZ-CE2 3.37Å; F481-F567 HydrophobicContact CZ-CE2 3.37Å; F481-F567 AromaticContact CZ-CZ 3.4Å; F481-F567 HydrophobicContact CZ-CZ 3.4Å; F481-F567 VanDerWaalsContact CZ-CZ 3.4Å; V563-F567 HydrophobicContact CG1-CD2 3.84Å; V563-F567 HydrophobicContact CG1-CE2 3.82Å; V563-F567 WeakPolarHBondContact O-CD2 3.42Å; V563-F567 PolarHBondContact O-N 3.03Å; V564-F567 PolarHBondContact O-N 3.41Å; F567-K569 PolarHBondContact O-N 3.07Å; F567-G570 PolarHBondContact O-N 3.32Å; F567-S574 WeakPolarHBondContact CD1-O 3.4Å; F567-S574 WeakPolarHBondContact O-CB 3.47Å; F567-L575 HydrophobicContact CB-CD2 3.77Å; F567-L575 HydrophobicContact CB-CG 4.49Å; F567-L578 HydrophobicContact CD1-CB 4.07Å; F567-L578 HydrophobicContact CD2-CB 3.9Å; F567-L578 HydrophobicContact CD2-CD1 4.13Å; F567-L578 HydrophobicContact CD2-CD2 3.79Å; F567-L578 HydrophobicContact CD2-CG 4.15Å; F567-L578 HydrophobicContact CE1-CB 4.17Å; F567-L578 HydrophobicContact CE2-CB 4.01Å; F567-L578 HydrophobicContact CE2-CD1 3.74Å; F567-L578 HydrophobicContact CE2-CD2 4.27Å; F567-L578 HydrophobicContact CE2-CG 4.21Å; F567-L578 HydrophobicContact CG-CB 3.93Å; F567-L578 HydrophobicContact CG-CD2 4.31Å; F567-L578 HydrophobicContact CZ-CB 4.15Å; F567-L578 HydrophobicContact CZ-CD1 4.27Å
568	A	91.8	Very high	91.1	Very high	9 Å²	9	39.1 Å²	39.1	7%	0.074	20%	0.201	C	C	.	.	H	α-helix	trans	-63.1	-24.5	-179.8	0	0	0	0	0	113.6	V564 G570 G571 L575 I618 L620	V564-A568 VanDerWaalsContact O-CB 3.25Å; V564-A568 WeakPolarHBondContact O-CB 3.38Å; V564-A568 PolarHBondContact O-N 2.94Å; A568-G570 PolarHBondContact O-N 3.29Å; A568-G571 WeakPolarHBondContact O-CA 3.45Å; A568-G571 PolarHBondContact O-N 3.36Å; A568-L575 HydrophobicContact CB-CD1 4.3Å; A568-L575 HydrophobicContact CB-CD2 4.34Å; A568-L575 HydrophobicContact CB-CG 4.49Å; A568-I618 HydrophobicContact CB-CB 4.22Å; A568-I618 HydrophobicContact CB-CG2 4.14Å; A568-L620 HydrophobicContact CB-CD1 3.65Å; A568-L620 HydrophobicContact CB-CD2 4.14Å; A568-L620 HydrophobicContact CB-CG 3.87Å
569	K	89.9	Confident	91.7	Very high	183 Å²	183	37.7 Å²	37.7	80%	0.796	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.8	171.6	-68	176.3	-178.7	-175.4	0	113.3	Q565 F567 G571	Q565-K569 PolarHBondContact O-N 3.33Å; F567-K569 PolarHBondContact O-N 3.07Å; K569-G571 VanDerWaalsContact C-N 3.28Å
570	G	87.2	Confident	92	Very high	43 Å²	43	42.1 Å²	42.1	44%	0.443	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	14.5	172.4	0	0	0	0	0	113.8	F567 A568 S574	F567-G570 PolarHBondContact O-N 3.32Å; A568-G570 PolarHBondContact O-N 3.29Å; G570-S574 WeakPolarHBondContact CA-OG 3.45Å; G570-S574 PolarHBondContact O-OG 3.45Å
571	G	89.8	Confident	92.4	Very high	12 Å²	12	45.1 Å²	45.1	12%	0.124	22%	0.218	C	C	.	.	H	α-helix	trans	66.5	-159.3	178.2	0	0	0	0	0	114.3	A568 K569 R573 S574 L575	A568-G571 WeakPolarHBondContact O-CA 3.45Å; A568-G571 PolarHBondContact O-N 3.36Å; K569-G571 VanDerWaalsContact C-N 3.28Å; G571-R573 PolarHBondContact O-N 3.11Å; G571-S574 PolarHBondContact O-N 2.63Å; G571-L575 PolarHBondContact O-N 3.14Å
572	L	90.4	Very high	92.7	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-59	-43.2	-174.6	-178.1	59.1	0	0	0	113.2	M447 S574 L575 M576 L608 L616 I618	M447-L572 HydrophobicContact CG-CD1 4.02Å; M447-L572 HydrophobicContact SD-CD1 3.73Å; L572-S574 PolarHBondContact O-N 3.31Å; L572-L575 PolarHBondContact O-N 3.02Å; L572-M576 HydrophobicContact CD1-CG 4.4Å; L572-M576 HydrophobicContact CD1-SD 4.13Å; L572-M576 HydrophobicContact CD2-SD 4.42Å; L572-M576 HydrophobicContact CG-SD 3.74Å; L572-M576 VanDerWaalsContact O-CG 3.29Å; L572-M576 WeakPolarHBondContact O-CG 3.47Å; L572-M576 PolarHBondContact O-N 3.11Å; L572-L608 HydrophobicContact CD2-CB 4.41Å; L572-L616 HydrophobicContact CB-CB 4.29Å; L572-L616 HydrophobicContact CD2-CB 4.47Å; L572-L616 PolarHBondContact N-O 3.39Å; L572-I618 HydrophobicContact CB-CD1 4.5Å
573	R	90.2	Very high	93	Very high	130 Å²	130	40.3 Å²	40.3	49%	0.491	20%	0.195	S	C	.	.	H	α-helix	trans	-60.4	-41.1	179.8	-83.1	-178.4	164.5	170.1	-4.3	113	G571 M576 Q577 E614	G571-R573 PolarHBondContact O-N 3.11Å; R573-M576 WeakPolarHBondContact O-CB 3.48Å; R573-M576 PolarHBondContact O-N 3.22Å; R573-Q577 PolarHBondContact O-N 3.25Å; R573-E614 IonicContact CZ-OE1 3.27Å; R573-E614 IonicContact CZ-OE2 2.74Å; R573-E614 VanDerWaalsContact CZ-OE2 3.23Å; R573-E614 IonicContact NE-OE1 2.67Å; R573-E614 IonicContact NH1-OE2 3.21Å; R573-E614 PolarHBondContact NH1-OE2 3.28Å; R573-E614 IonicContact NH2-OE1 3.09Å; R573-E614 PolarHBondContact NH2-OE1 3.32Å; R573-E614 IonicContact NH2-OE2 3.43Å; R573-E614 PolarHBondContact NH2-OE2 2.89Å
574	S	92.2	Very high	93.2	Very high	31 Å²	31	43.8 Å²	43.8	22%	0.217	21%	0.211	C	C	.	.	H	α-helix	trans	-69.1	-36.4	178	-73.2	0	0	0	0	112.5	F567 G570 G571 L572 Q577 L578	F567-S574 WeakPolarHBondContact CD1-O 3.4Å; F567-S574 WeakPolarHBondContact O-CB 3.47Å; G570-S574 WeakPolarHBondContact CA-OG 3.45Å; G570-S574 PolarHBondContact O-OG 3.45Å; G571-S574 PolarHBondContact O-N 2.63Å; L572-S574 PolarHBondContact O-N 3.31Å; S574-Q577 WeakPolarHBondContact O-CB 3.33Å; S574-Q577 PolarHBondContact O-N 2.87Å; S574-L578 PolarHBondContact O-N 3.09Å
575	L	92.9	Very high	93.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.2	-37.3	171.8	-69.5	175.8	0	0	0	112.8	P444 M447 V564 F567 A568 G571 L572 Q577 L578 E579 I618	P444-L575 HydrophobicContact CG-CD1 3.87Å; M447-L575 HydrophobicContact CE-CB 4.16Å; M447-L575 HydrophobicContact SD-CB 3.8Å; M447-L575 HydrophobicContact SD-CD1 4.24Å; V564-L575 HydrophobicContact CG1-CD2 3.92Å; F567-L575 HydrophobicContact CB-CD2 3.77Å; F567-L575 HydrophobicContact CB-CG 4.49Å; A568-L575 HydrophobicContact CB-CD1 4.3Å; A568-L575 HydrophobicContact CB-CD2 4.34Å; A568-L575 HydrophobicContact CB-CG 4.49Å; G571-L575 PolarHBondContact O-N 3.14Å; L572-L575 PolarHBondContact O-N 3.02Å; L575-Q577 VanDerWaalsContact C-N 3.26Å; L575-Q577 PolarHBondContact O-N 3.47Å; L575-L578 PolarHBondContact O-N 3.23Å; L575-E579 PolarHBondContact O-N 3.45Å; L575-I618 HydrophobicContact CD1-CB 4.24Å; L575-I618 HydrophobicContact CD1-CG1 3.93Å; L575-I618 HydrophobicContact CD1-CG2 3.85Å
576	M	93.1	Very high	93.5	Very high	13 Å²	13	42 Å²	42	6%	0.064	20%	0.203	C	C	.	.	H	α-helix	trans	-62.7	-34	171.1	-69.4	164.7	54.2	0	0	111.7	M447 L572 R573 E579 R580 H605 I609	M447-M576 HydrophobicContact CE-CG 3.9Å; L572-M576 HydrophobicContact CD1-CG 4.4Å; L572-M576 HydrophobicContact CD1-SD 4.13Å; L572-M576 HydrophobicContact CD2-SD 4.42Å; L572-M576 HydrophobicContact CG-SD 3.74Å; L572-M576 VanDerWaalsContact O-CG 3.29Å; L572-M576 WeakPolarHBondContact O-CG 3.47Å; L572-M576 PolarHBondContact O-N 3.11Å; R573-M576 WeakPolarHBondContact O-CB 3.48Å; R573-M576 PolarHBondContact O-N 3.22Å; M576-E579 PolarHBondContact O-N 2.81Å; M576-R580 VanDerWaalsContact O-CB 3.26Å; M576-R580 WeakPolarHBondContact O-CB 3.35Å; M576-R580 PolarHBondContact O-N 3.48Å; M576-H605 HydrophobicContact CE-CB 3.4Å; M576-H605 PolarHBondContact O-CE1 3Å; M576-I609 HydrophobicContact CE-CD1 3.67Å; M576-I609 HydrophobicContact CE-CG1 4.01Å; M576-I609 HydrophobicContact SD-CG1 4.3Å
577	Q	94.6	Very high	93.7	Very high	113 Å²	113	42.5 Å²	42.5	53%	0.528	20%	0.203	S	C	.	.	H	α-helix	trans	-66.5	-40.9	173.1	-169.8	-177.3	9.9	0	0	112.5	R573 S574 L575 E579 R580 R581	R573-Q577 PolarHBondContact O-N 3.25Å; S574-Q577 WeakPolarHBondContact O-CB 3.33Å; S574-Q577 PolarHBondContact O-N 2.87Å; L575-Q577 VanDerWaalsContact C-N 3.26Å; L575-Q577 PolarHBondContact O-N 3.47Å; Q577-E579 VanDerWaalsContact C-N 3.35Å; Q577-R580 PolarHBondContact O-N 3.01Å; Q577-R581 VanDerWaalsContact O-CB 3.31Å; Q577-R581 WeakPolarHBondContact O-CB 3.5Å; Q577-R581 PolarHBondContact O-N 2.92Å
578	L	95.2	Very high	93.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.8	-42.5	172.7	174.5	60.8	0	0	0	111.6	F443 L477 V563 V564 F567 S574 L575 R581 W582	F443-L578 HydrophobicContact CE1-CD2 3.98Å; F443-L578 HydrophobicContact CZ-CD2 4.24Å; F443-L578 HydrophobicContact CZ-CG 4.46Å; L477-L578 HydrophobicContact CD1-CD1 4.28Å; L477-L578 HydrophobicContact CD2-CD1 4.4Å; V563-L578 HydrophobicContact CG1-CD1 4.19Å; V563-L578 HydrophobicContact CG1-CD2 4.19Å; V564-L578 HydrophobicContact CG2-CD2 3.86Å; F567-L578 HydrophobicContact CD1-CB 4.07Å; F567-L578 HydrophobicContact CD2-CB 3.9Å; F567-L578 HydrophobicContact CD2-CD1 4.13Å; F567-L578 HydrophobicContact CD2-CD2 3.79Å; F567-L578 HydrophobicContact CD2-CG 4.15Å; F567-L578 HydrophobicContact CE1-CB 4.17Å; F567-L578 HydrophobicContact CE2-CB 4.01Å; F567-L578 HydrophobicContact CE2-CD1 3.74Å; F567-L578 HydrophobicContact CE2-CD2 4.27Å; F567-L578 HydrophobicContact CE2-CG 4.21Å; F567-L578 HydrophobicContact CG-CB 3.93Å; F567-L578 HydrophobicContact CG-CD2 4.31Å; F567-L578 HydrophobicContact CZ-CB 4.15Å; F567-L578 HydrophobicContact CZ-CD1 4.27Å; S574-L578 PolarHBondContact O-N 3.09Å; L575-L578 PolarHBondContact O-N 3.23Å; L578-R581 PolarHBondContact O-N 3.43Å; L578-W582 PolarHBondContact O-N 2.75Å
579	E	94.7	Very high	93.6	Very high	5 Å²	5	46.3 Å²	46.3	2%	0.023	22%	0.224	C	C	.	.	H	α-helix	trans	-62.6	-48.9	176	-162.6	-176.3	-111.5	0	0	111.8	V435 R440 F443 L575 M576 Q577 R581 W582 R583 H605	V435-E579 HydrophobicContact CG2-CG 3.8Å; R440-E579 IonicContact CZ-OE1 3.23Å; R440-E579 IonicContact NH1-OE1 2.96Å; R440-E579 PolarHBondContact NH1-OE1 2.91Å; R440-E579 IonicContact NH2-OE1 2.71Å; F443-E579 HydrophobicContact CE2-CB 4.2Å; F443-E579 HydrophobicContact CE2-CG 4.36Å; F443-E579 HydrophobicContact CZ-CB 4.47Å; L575-E579 PolarHBondContact O-N 3.45Å; M576-E579 PolarHBondContact O-N 2.81Å; Q577-E579 VanDerWaalsContact C-N 3.35Å; E579-R581 VanDerWaalsContact C-N 3.33Å; E579-R581 PolarHBondContact O-N 3.35Å; E579-W582 PolarHBondContact O-N 3.25Å; E579-R583 VanDerWaalsContact CD-CZ 3.41Å; E579-R583 PolarHBondContact O-N 3.07Å; E579-R583 IonicContact OE1-NH2 3.51Å; E579-R583 PolarHBondContact OE1-NH2 3.21Å; E579-R583 IonicContact OE2-CZ 3.19Å; E579-R583 IonicContact OE2-NH1 3.82Å; E579-R583 PolarHBondContact OE2-NH1 3.04Å; E579-R583 IonicContact OE2-NH2 2.7Å; E579-R583 PolarHBondContact OE2-NH2 3.38Å; E579-R583 VanDerWaalsContact OE2-NH2 3.1Å; E579-H605 IonicContact OE2-CD2 3.47Å; E579-H605 PolarHBondContact OE2-CD2 3.34Å; E579-H605 IonicContact OE2-CE1 3.86Å; E579-H605 IonicContact OE2-NE2 3.16Å; E579-H605 PolarHBondContact OE2-NE2 2.95Å
580	R	95.9	Very high	93.7	Very high	114 Å²	114	38.3 Å²	38.3	43%	0.43	19%	0.19	S	C	.	.	H	α-helix	trans	-56.3	-43.7	173.5	166.1	179.2	-77	175	-10.4	111.5	M576 Q577 W582 R583 Q584 V601 D602	M576-R580 VanDerWaalsContact O-CB 3.26Å; M576-R580 WeakPolarHBondContact O-CB 3.35Å; M576-R580 PolarHBondContact O-N 3.48Å; Q577-R580 PolarHBondContact O-N 3.01Å; R580-W582 PolarHBondContact O-N 3.45Å; R580-R583 PolarHBondContact O-N 3.44Å; R580-Q584 VanDerWaalsContact O-CB 3.23Å; R580-Q584 WeakPolarHBondContact O-CB 3.26Å; R580-Q584 PolarHBondContact O-N 3.08Å; R580-V601 HydrophobicContact CB-CG1 4.03Å; R580-V601 HydrophobicContact CG-CG1 3.64Å; R580-D602 IonicContact CZ-OD1 2.68Å; R580-D602 VanDerWaalsContact CZ-OD1 3.25Å; R580-D602 IonicContact CZ-OD2 3.96Å; R580-D602 IonicContact NE-OD1 2.71Å; R580-D602 PolarHBondContact NE-OD1 3.48Å; R580-D602 IonicContact NE-OD2 2.89Å; R580-D602 IonicContact NH2-OD1 3.13Å; R580-D602 PolarHBondContact NH2-OD1 3.01Å; R580-D602 IonicContact NH2-OD2 3.87Å; R580-D602 PolarHBondContact NH2-OD2 3.29Å
581	R	96.6	Very high	93.9	Very high	66 Å²	66	42.2 Å²	42.2	25%	0.249	20%	0.196	C	C	.	.	H	α-helix	trans	-61.4	-43.7	180	-173.5	172.3	178	177.4	-7.2	111.9	L473 E480 Q577 L578 E579 H585	L473-R581 HydrophobicContact CD1-CG 4.19Å; L473-R581 HydrophobicContact CD2-CG 4.48Å; E480-R581 IonicContact OE1-NH1 2.74Å; E480-R581 PolarHBondContact OE1-NH1 3.46Å; E480-R581 IonicContact OE2-CZ 3.78Å; E480-R581 IonicContact OE2-NH1 3.49Å; E480-R581 PolarHBondContact OE2-NH1 3.47Å; E480-R581 IonicContact OE2-NH2 2.96Å; E480-R581 PolarHBondContact OE2-NH2 3.01Å; Q577-R581 VanDerWaalsContact O-CB 3.31Å; Q577-R581 WeakPolarHBondContact O-CB 3.5Å; Q577-R581 PolarHBondContact O-N 2.92Å; L578-R581 PolarHBondContact O-N 3.43Å; E579-R581 VanDerWaalsContact C-N 3.33Å; E579-R581 PolarHBondContact O-N 3.35Å; R581-H585 WeakPolarHBondContact O-CB 3.49Å; R581-H585 PolarHBondContact O-N 2.91Å
582	W	97.1	Very high	94.2	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-65.4	-44.2	174.6	-85.4	105.9	0	0	0	113	V435 P436 Y439 D470 L473 K474 L477 L578 E579 R580 F586	V435-W582 HydrophobicContact CG2-CB 4.11Å; P436-W582 VanDerWaalsContact CD-CE3 3.5Å; P436-W582 HydrophobicContact CG-CD2 3.88Å; P436-W582 HydrophobicContact CG-CE3 3.71Å; P436-W582 HydrophobicContact CG-CH2 3.79Å; P436-W582 HydrophobicContact CG-CZ2 3.92Å; P436-W582 HydrophobicContact CG-CZ3 3.66Å; Y439-W582 HydrophobicContact CD2-CZ2 4.21Å; Y439-W582 AromaticContact CD2-NE1 3.67Å; Y439-W582 AromaticContact CE2-CE2 3.62Å; Y439-W582 HydrophobicContact CE2-CH2 4.34Å; Y439-W582 AromaticContact CE2-CZ2 3.36Å; Y439-W582 HydrophobicContact CE2-CZ2 3.36Å; Y439-W582 AromaticContact CE2-NE1 3.61Å; Y439-W582 AromaticContact CZ-CZ2 3.84Å; D470-W582 HydrophobicContact CB-CH2 4.19Å; D470-W582 HydrophobicContact CB-CZ3 3.84Å; L473-W582 HydrophobicContact CB-CH2 4.13Å; L473-W582 HydrophobicContact CB-CZ3 4.45Å; L473-W582 HydrophobicContact CD2-CD2 3.72Å; L473-W582 HydrophobicContact CD2-CE3 3.7Å; L473-W582 HydrophobicContact CD2-CG 4.36Å; L473-W582 HydrophobicContact CD2-CH2 3.9Å; L473-W582 HydrophobicContact CD2-CZ2 3.95Å; L473-W582 HydrophobicContact CD2-CZ3 3.79Å; L473-W582 HydrophobicContact CG-CH2 4.02Å; L473-W582 HydrophobicContact CG-CZ2 4.02Å; L473-W582 HydrophobicContact CG-CZ3 4.38Å; K474-W582 HydrophobicContact CG-CH2 3.82Å; K474-W582 HydrophobicContact CG-CZ2 4.07Å; L477-W582 HydrophobicContact CD1-CZ2 3.9Å; L578-W582 PolarHBondContact O-N 2.75Å; E579-W582 PolarHBondContact O-N 3.25Å; R580-W582 PolarHBondContact O-N 3.45Å; W582-F586 PolarHBondContact O-N 2.89Å
583	R	97.1	Very high	94.3	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.015	23%	0.233	C	C	.	.	H	α-helix	trans	-64.9	-44.5	177.6	-74.6	177.7	-177.7	151.3	10.3	112.7	I434 V435 D454 E579 R580 F586 L587 W599 V601	I434-R583 HydrophobicContact CG2-CG 4.17Å; V435-R583 HydrophobicContact CG2-CG 4.25Å; D454-R583 IonicContact OD1-CZ 2.85Å; D454-R583 IonicContact OD1-NE 3.81Å; D454-R583 PolarHBondContact OD1-NE 3.49Å; D454-R583 IonicContact OD1-NH2 3.94Å; D454-R583 PolarHBondContact OD1-NH2 2.99Å; D454-R583 IonicContact OD2-CZ 2.71Å; D454-R583 IonicContact OD2-NE 2.71Å; D454-R583 IonicContact OD2-NH2 2.66Å; D454-R583 PolarHBondContact OD2-NH2 2.87Å; E579-R583 VanDerWaalsContact CD-CZ 3.41Å; E579-R583 PolarHBondContact O-N 3.07Å; E579-R583 IonicContact OE1-NH2 3.51Å; E579-R583 PolarHBondContact OE1-NH2 3.21Å; E579-R583 IonicContact OE2-CZ 3.19Å; E579-R583 IonicContact OE2-NH1 3.82Å; E579-R583 PolarHBondContact OE2-NH1 3.04Å; E579-R583 IonicContact OE2-NH2 2.7Å; E579-R583 PolarHBondContact OE2-NH2 3.38Å; E579-R583 VanDerWaalsContact OE2-NH2 3.1Å; R580-R583 PolarHBondContact O-N 3.44Å; R583-F586 PolarHBondContact O-N 2.75Å; R583-L587 PolarHBondContact O-N 2.84Å; R583-W599 HydrophobicContact CB-CH2 3.69Å; R583-W599 HydrophobicContact CB-CZ2 4.25Å; R583-W599 HydrophobicContact CG-CH2 3.89Å; R583-W599 HydrophobicContact CG-CZ2 3.92Å; R583-V601 HydrophobicContact CB-CB 4.33Å; R583-V601 HydrophobicContact CB-CG1 3.94Å; R583-V601 HydrophobicContact CB-CG2 4.33Å; R583-V601 WeakPolarHBondContact CD-O 3.22Å; R583-V601 PolarHBondContact NH1-O 3.33Å
584	Q	97.2	Very high	94.5	Very high	72 Å²	72	50.2 Å²	50.2	34%	0.336	23%	0.231	S	C	.	.	H	α-helix	trans	-67.1	-43.8	177.9	-172	61.3	49.7	0	0	111.5	R580 F586 L587 D588 V601	R580-Q584 VanDerWaalsContact O-CB 3.23Å; R580-Q584 WeakPolarHBondContact O-CB 3.26Å; R580-Q584 PolarHBondContact O-N 3.08Å; Q584-F586 PolarHBondContact O-N 3.1Å; Q584-L587 WeakPolarHBondContact O-CA 3.22Å; Q584-L587 WeakPolarHBondContact O-CB 3.48Å; Q584-L587 PolarHBondContact O-N 3Å; Q584-D588 PolarHBondContact NE2-OD1 3.3Å; Q584-D588 PolarHBondContact O-N 3.37Å; Q584-V601 HydrophobicContact CB-CG1 4.37Å
585	H	96.1	Very high	94.6	Very high	35 Å²	35	50.9 Å²	50.9	16%	0.162	23%	0.232	C	C	.	.	H	α-helix	trans	-54	-40.7	174.9	172.4	77.8	0	0	0	112.5	Y469 D470 L473 R581 D588 S589	Y469-H585 WeakPolarHBondContact CA-NE2 3.46Å; Y469-H585 WeakPolarHBondContact CB-NE2 3.37Å; Y469-H585 PolarHBondContact O-CE1 3.02Å; Y469-H585 PolarHBondContact O-NE2 2.67Å; D470-H585 WeakPolarHBondContact CA-NE2 3.37Å; D470-H585 PolarHBondContact N-NE2 2.66Å; D470-H585 IonicContact OD1-NE2 3.21Å; D470-H585 PolarHBondContact OD1-NE2 3.47Å; L473-H585 HydrophobicContact CD2-CB 3.67Å; R581-H585 WeakPolarHBondContact O-CB 3.49Å; R581-H585 PolarHBondContact O-N 2.91Å; H585-D588 PolarHBondContact O-N 3Å; H585-S589 VanDerWaalsContact O-CB 3.25Å; H585-S589 WeakPolarHBondContact O-CB 3.29Å; H585-S589 PolarHBondContact O-N 3.29Å; H585-S589 PolarHBondContact O-OG 3.47Å
586	F	96.7	Very high	94.6	Very high	3 Å²	3	52.1 Å²	52.1	1%	0.013	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-41.7	174.3	176	-106	0	0	0	112.7	V421 V422 I434 L456 L458 W582 R583 Q584 M590 P592 L595	V421-F586 HydrophobicContact CG2-CE1 4.3Å; V421-F586 HydrophobicContact CG2-CZ 3.82Å; V422-F586 HydrophobicContact CG2-CE2 4.42Å; V422-F586 HydrophobicContact CG2-CZ 4.13Å; I434-F586 HydrophobicContact CD1-CB 4.37Å; I434-F586 HydrophobicContact CD1-CD1 3.83Å; I434-F586 HydrophobicContact CD1-CD2 3.62Å; I434-F586 HydrophobicContact CD1-CE1 3.94Å; I434-F586 HydrophobicContact CD1-CE2 3.74Å; I434-F586 HydrophobicContact CD1-CG 3.66Å; I434-F586 HydrophobicContact CD1-CZ 3.9Å; I434-F586 HydrophobicContact CG1-CD1 4.46Å; I434-F586 HydrophobicContact CG2-CB 3.77Å; I434-F586 HydrophobicContact CG2-CD1 4.44Å; I434-F586 HydrophobicContact CG2-CG 4.16Å; L456-F586 HydrophobicContact CD1-CD1 4.4Å; L456-F586 HydrophobicContact CD1-CE1 3.71Å; L456-F586 HydrophobicContact CD1-CZ 4.23Å; L458-F586 HydrophobicContact CD1-CE2 4.26Å; L458-F586 HydrophobicContact CD2-CE2 4.26Å; L458-F586 HydrophobicContact CD2-CZ 4.24Å; W582-F586 PolarHBondContact O-N 2.89Å; R583-F586 PolarHBondContact O-N 2.75Å; Q584-F586 PolarHBondContact O-N 3.1Å; F586-M590 HydrophobicContact CD2-CB 4.04Å; F586-M590 HydrophobicContact CD2-CG 3.64Å; F586-M590 HydrophobicContact CE2-CB 3.86Å; F586-M590 HydrophobicContact CE2-CG 3.67Å; F586-M590 HydrophobicContact CZ-CB 4.37Å; F586-M590 WeakPolarHBondContact O-CB 3.42Å; F586-M590 PolarHBondContact O-N 2.91Å; F586-P592 HydrophobicContact CE1-CB 4.28Å; F586-P592 HydrophobicContact CE1-CG 3.96Å; F586-L595 HydrophobicContact CE1-CD1 4.29Å
587	L	96.1	Very high	94.4	Very high	43 Å²	43	59.9 Å²	59.9	23%	0.225	28%	0.277	C	S	.	.	H	α-helix	trans	-63.8	-47.9	175.3	-62.2	-175.7	0	0	0	111.7	R583 Q584 S589 Q591 P592 L595 W599 V601	R583-L587 PolarHBondContact O-N 2.84Å; Q584-L587 WeakPolarHBondContact O-CA 3.22Å; Q584-L587 WeakPolarHBondContact O-CB 3.48Å; Q584-L587 PolarHBondContact O-N 3Å; L587-S589 PolarHBondContact O-N 3.05Å; L587-Q591 VanDerWaalsContact O-CA 3.31Å; L587-Q591 WeakPolarHBondContact O-CA 3.48Å; L587-Q591 PolarHBondContact O-N 2.92Å; L587-P592 HydrophobicContact CD2-CG 3.73Å; L587-L595 HydrophobicContact CD2-CD2 3.78Å; L587-W599 HydrophobicContact CD1-CZ3 4.13Å; L587-W599 HydrophobicContact CD2-CE3 4.47Å; L587-W599 HydrophobicContact CD2-CZ3 3.84Å; L587-W599 HydrophobicContact CG-CZ3 4.04Å; L587-V601 HydrophobicContact CD1-CG2 3.61Å
588	D	92.5	Very high	94.2	Very high	85 Å²	85	57.7 Å²	57.7	46%	0.455	27%	0.267	S	S	.	.	H	α-helix	trans	-67.8	-37.9	-174.2	-64.3	-18.3	0	0	0	112.8	K152 Q584 H585	K152-D588 PolarHBondContact NZ-O 2.97Å; Q584-D588 PolarHBondContact NE2-OD1 3.3Å; Q584-D588 PolarHBondContact O-N 3.37Å; H585-D588 PolarHBondContact O-N 3Å
589	S	90.1	Very high	94.1	Very high	18 Å²	18	58.5 Å²	58.5	13%	0.126	27%	0.269	C	S	.	.	H	α-helix	trans	-84.7	-42.6	-178.9	62.6	0	0	0	0	113.1	H585 L587	H585-S589 VanDerWaalsContact O-CB 3.25Å; H585-S589 WeakPolarHBondContact O-CB 3.29Å; H585-S589 PolarHBondContact O-N 3.29Å; H585-S589 PolarHBondContact O-OG 3.47Å; L587-S589 PolarHBondContact O-N 3.05Å
590	M	91.5	Very high	94	Very high	14 Å²	14	60.5 Å²	60.5	7%	0.069	28%	0.284	C	S	.	.	H	α-helix	trans	-100.2	-17.4	-171.3	-58.7	-59.3	-59.1	0	0	114.7	V422 C462 V465 S466 Y469 F586	V422-M590 HydrophobicContact CG1-CE 4.2Å; V422-M590 WeakPolarHBondContact CG1-O 3.49Å; V422-M590 HydrophobicContact CG2-CB 3.86Å; V422-M590 HydrophobicContact CG2-CE 3.98Å; C462-M590 HydrophobicContact CB-CE 4.08Å; C462-M590 VanDerWaalsContact O-CE 3.24Å; C462-M590 WeakPolarHBondContact O-CE 3.25Å; V465-M590 HydrophobicContact CB-CE 4.08Å; V465-M590 HydrophobicContact CB-SD 4.34Å; V465-M590 HydrophobicContact CG1-CE 3.99Å; V465-M590 HydrophobicContact CG1-SD 3.83Å; S466-M590 VanDerWaalsContact CA-SD 3.52Å; Y469-M590 HydrophobicContact CD2-SD 4.05Å; Y469-M590 HydrophobicContact CE2-SD 4.46Å; F586-M590 HydrophobicContact CD2-CB 4.04Å; F586-M590 HydrophobicContact CD2-CG 3.64Å; F586-M590 HydrophobicContact CE2-CB 3.86Å; F586-M590 HydrophobicContact CE2-CG 3.67Å; F586-M590 HydrophobicContact CZ-CB 4.37Å; F586-M590 WeakPolarHBondContact O-CB 3.42Å; F586-M590 PolarHBondContact O-N 2.91Å
591	Q	92.3	Very high	94	Very high	125 Å²	125	56 Å²	56	58%	0.584	27%	0.269	S	S	*	.			trans	44	60	177.7	-61.5	-175.5	-20.7	0	0	113.2	L587 K593	L587-Q591 VanDerWaalsContact O-CA 3.31Å; L587-Q591 WeakPolarHBondContact O-CA 3.48Å; L587-Q591 PolarHBondContact O-N 2.92Å; Q591-K593 PolarHBondContact O-N 3.47Å
592	P	95.1	Very high	93.8	Very high	24 Å²	24	56.1 Å²	56.1	16%	0.156	28%	0.275	C	S	.	.			trans	-67.1	131.3	-169.1	28	-35.6	0	0	0	113	V421 V422 F586 L587 L595	V421-P592 HydrophobicContact CG2-CB 4.37Å; V421-P592 CarbonylContact O-C 3.57Å; V421-P592 WeakPolarHBondContact O-CB 3.46Å; V422-P592 HydrophobicContact CG2-CB 4.22Å; F586-P592 HydrophobicContact CE1-CB 4.28Å; F586-P592 HydrophobicContact CE1-CG 3.96Å; L587-P592 HydrophobicContact CD2-CG 3.73Å; P592-L595 HydrophobicContact CB-CB 4.35Å; P592-L595 HydrophobicContact CB-CD1 4.36Å; P592-L595 HydrophobicContact CG-CB 4.36Å; P592-L595 HydrophobicContact CG-CD1 4.16Å; P592-L595 HydrophobicContact CG-CD2 4.19Å; P592-L595 HydrophobicContact CG-CG 4.49Å
593	K	93.7	Very high	93.4	Very high	172 Å²	172	57.2 Å²	57.2	75%	0.748	28%	0.28	S	S	*	.	S	Bend	trans	-93.8	-16.1	-177.9	-62.6	-172.9	178.7	-170.8	0	114.9	V421 Q591	V421-K593 PolarHBondContact O-N 3Å; V421-K593 VanDerWaalsContact O-N 3.14Å; Q591-K593 PolarHBondContact O-N 3.47Å
594	Y	94.7	Very high	92.9	Very high	116 Å²	116	58.3 Å²	58.3	46%	0.455	29%	0.286	S	S	.	.	S	Bend	trans	-131.7	43.9	-174.2	-53.4	-92.5	0	0	0	110	L419 V421 G424	L419-Y594 VanDerWaalsContact CD1-CB 3.49Å; L419-Y594 HydrophobicContact CD1-CG 4.17Å; L419-Y594 HydrophobicContact CD2-CD1 4.38Å; V421-Y594 WeakPolarHBondContact CA-O 3.44Å; V421-Y594 WeakPolarHBondContact CB-O 3.44Å; V421-Y594 CarbonylContact O-C 3.49Å; V421-Y594 WeakPolarHBondContact O-CA 3.49Å; V421-Y594 PolarHBondContact O-N 3.06Å; G424-Y594 VanDerWaalsContact CA-CE2 3.44Å; G424-Y594 VanDerWaalsContact N-CD2 3.3Å; G424-Y594 VanDerWaalsContact N-CE2 3.33Å
595	L	93.9	Very high	92.6	Very high	45 Å²	45	55.4 Å²	55.4	24%	0.236	27%	0.272	C	S	.	.			trans	-75	142.2	175.5	-163.3	67.6	0	0	0	109.2	V421 L456 F586 L587 P592 E597 W599	V421-L595 HydrophobicContact CB-CD1 4.48Å; L456-L595 HydrophobicContact CD1-CD1 3.54Å; F586-L595 HydrophobicContact CE1-CD1 4.29Å; L587-L595 HydrophobicContact CD2-CD2 3.78Å; P592-L595 HydrophobicContact CB-CB 4.35Å; P592-L595 HydrophobicContact CB-CD1 4.36Å; P592-L595 HydrophobicContact CG-CB 4.36Å; P592-L595 HydrophobicContact CG-CD1 4.16Å; P592-L595 HydrophobicContact CG-CD2 4.19Å; P592-L595 HydrophobicContact CG-CG 4.49Å; L595-E597 PolarHBondContact O-N 3.47Å; L595-W599 HydrophobicContact CD1-CB 4.44Å; L595-W599 HydrophobicContact CD1-CD2 4.17Å; L595-W599 HydrophobicContact CD1-CE3 4.39Å; L595-W599 HydrophobicContact CD1-CG 4.2Å; L595-W599 HydrophobicContact CD2-CB 4.25Å; L595-W599 HydrophobicContact CD2-CD2 4.1Å; L595-W599 HydrophobicContact CD2-CE3 3.6Å; L595-W599 HydrophobicContact CD2-CG 4.4Å; L595-W599 HydrophobicContact CD2-CZ3 4.27Å; L595-W599 HydrophobicContact CG-CB 3.96Å; L595-W599 HydrophobicContact CG-CD2 4.32Å; L595-W599 HydrophobicContact CG-CE3 4.32Å; L595-W599 HydrophobicContact CG-CG 4.21Å
596	P	91.8	Very high	92.1	Very high	27 Å²	27	55.7 Å²	55.7	18%	0.175	29%	0.285	C	S	.	.			trans	-59.6	135.7	174.7	-21.5	32.7	0	0	0	110.7	Y411 L456 Q598 W599	Y411-P596 HydrophobicContact CD2-CB 4.38Å; Y411-P596 HydrophobicContact CE2-CB 3.87Å; Y411-P596 HydrophobicContact CE2-CG 4.11Å; L456-P596 HydrophobicContact CD2-CG 4.38Å; P596-Q598 PolarHBondContact O-N 2.94Å; P596-Q598 VanDerWaalsContact O-N 3.11Å; P596-W599 HydrophobicContact CB-CB 4.38Å; P596-W599 WeakPolarHBondContact O-CB 3.48Å; P596-W599 PolarHBondContact O-N 3.33Å
597	E	89.1	Confident	91.6	Very high	175 Å²	175	58.2 Å²	58.2	82%	0.818	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-36.9	-170.7	-61.7	176	168.3	0	0	114.3	L595 W599	L595-E597 PolarHBondContact O-N 3.47Å; E597-W599 VanDerWaalsContact C-N 3.32Å
598	Q	90.3	Very high	91.2	Very high	68 Å²	68	57.1 Å²	57.1	32%	0.318	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	9.9	-179.2	-58.4	-56.5	-44.2	0	0	112.9	V409 Y411 T414 P596 S600	V409-Q598 HydrophobicContact CG1-CG 4.13Å; Y411-Q598 HydrophobicContact CD2-CB 4.36Å; T414-Q598 HydrophobicContact CG2-CG 3.94Å; P596-Q598 PolarHBondContact O-N 2.94Å; P596-Q598 VanDerWaalsContact O-N 3.11Å; Q598-S600 PolarHBondContact O-N 3.32Å
599	W	93.5	Very high	91.1	Very high	16 Å²	16	55.2 Å²	55.2	6%	0.061	28%	0.28	C	S	.	.			trans	-77.3	121.9	173	-166	93.3	0	0	0	109.8	Y411 I434 H453 L456 R583 L587 L595 P596 E597 V601	Y411-W599 HydrophobicContact CD2-CB 4.42Å; Y411-W599 HydrophobicContact CE2-CB 4.2Å; Y411-W599 AromaticContact CE2-CD1 3.94Å; I434-W599 HydrophobicContact CG1-CZ2 4.38Å; I434-W599 HydrophobicContact CG2-CH2 4.47Å; I434-W599 HydrophobicContact CG2-CZ2 4.13Å; H453-W599 AromaticContact CD2-CD1 3.93Å; H453-W599 AromaticContact CD2-NE1 3.6Å; H453-W599 AromaticContact CE1-CD1 3.68Å; H453-W599 AromaticContact CE1-CG 3.94Å; H453-W599 AromaticContact NE2-CD1 3.58Å; H453-W599 AromaticContact NE2-CD2 3.93Å; H453-W599 AromaticContact NE2-CE2 3.82Å; H453-W599 AromaticContact NE2-CG 3.85Å; H453-W599 AromaticContact NE2-NE1 3.54Å; H453-W599 VanDerWaalsContact O-CD1 3.32Å; H453-W599 PolarHBondContact O-NE1 2.91Å; L456-W599 HydrophobicContact CD1-CZ2 4.42Å; R583-W599 HydrophobicContact CB-CH2 3.69Å; R583-W599 HydrophobicContact CB-CZ2 4.25Å; R583-W599 HydrophobicContact CG-CH2 3.89Å; R583-W599 HydrophobicContact CG-CZ2 3.92Å; L587-W599 HydrophobicContact CD1-CZ3 4.13Å; L587-W599 HydrophobicContact CD2-CE3 4.47Å; L587-W599 HydrophobicContact CD2-CZ3 3.84Å; L587-W599 HydrophobicContact CG-CZ3 4.04Å; L595-W599 HydrophobicContact CD1-CB 4.44Å; L595-W599 HydrophobicContact CD1-CD2 4.17Å; L595-W599 HydrophobicContact CD1-CE3 4.39Å; L595-W599 HydrophobicContact CD1-CG 4.2Å; L595-W599 HydrophobicContact CD2-CB 4.25Å; L595-W599 HydrophobicContact CD2-CD2 4.1Å; L595-W599 HydrophobicContact CD2-CE3 3.6Å; L595-W599 HydrophobicContact CD2-CG 4.4Å; L595-W599 HydrophobicContact CD2-CZ3 4.27Å; L595-W599 HydrophobicContact CG-CB 3.96Å; L595-W599 HydrophobicContact CG-CD2 4.32Å; L595-W599 HydrophobicContact CG-CE3 4.32Å; L595-W599 HydrophobicContact CG-CG 4.21Å; P596-W599 HydrophobicContact CB-CB 4.38Å; P596-W599 WeakPolarHBondContact O-CB 3.48Å; P596-W599 PolarHBondContact O-N 3.33Å; E597-W599 VanDerWaalsContact C-N 3.32Å; W599-V601 HydrophobicContact CZ3-CG2 4.11Å
600	S	93.6	Very high	90.9	Very high	48 Å²	48	62.6 Å²	62.6	34%	0.336	31%	0.305	S	S	.	.			trans	-133.5	153.5	180	63.8	0	0	0	0	112	H453 Q598 D602 H603	H453-S600 PolarHBondContact CE1-N 3.17Å; H453-S600 PolarHBondContact NE2-N 2.9Å; H453-S600 PolarHBondContact NE2-O 3.06Å; Q598-S600 PolarHBondContact O-N 3.32Å; S600-D602 VanDerWaalsContact C-N 3.26Å; S600-D602 PolarHBondContact O-N 2.73Å; S600-H603 PolarHBondContact OG-N 2.92Å
601	V	95	Very high	90.7	Very high	19 Å²	19	68.9 Å²	68.9	12%	0.115	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-35.7	176.7	178.2	0	0	0	0	111	R580 R583 Q584 L587 W599	R580-V601 HydrophobicContact CB-CG1 4.03Å; R580-V601 HydrophobicContact CG-CG1 3.64Å; R583-V601 HydrophobicContact CB-CB 4.33Å; R583-V601 HydrophobicContact CB-CG1 3.94Å; R583-V601 HydrophobicContact CB-CG2 4.33Å; R583-V601 WeakPolarHBondContact CD-O 3.22Å; R583-V601 PolarHBondContact NH1-O 3.33Å; Q584-V601 HydrophobicContact CB-CG1 4.37Å; L587-V601 HydrophobicContact CD1-CG2 3.61Å; W599-V601 HydrophobicContact CZ3-CG2 4.11Å
602	D	92.3	Very high	90.3	Very high	68 Å²	68	66.4 Å²	66.4	36%	0.364	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	25.4	-173.2	-58	-24.4	0	0	0	113.2	R580 S600 N604 H605	R580-D602 IonicContact CZ-OD1 2.68Å; R580-D602 VanDerWaalsContact CZ-OD1 3.25Å; R580-D602 IonicContact CZ-OD2 3.96Å; R580-D602 IonicContact NE-OD1 2.71Å; R580-D602 PolarHBondContact NE-OD1 3.48Å; R580-D602 IonicContact NE-OD2 2.89Å; R580-D602 IonicContact NH2-OD1 3.13Å; R580-D602 PolarHBondContact NH2-OD1 3.01Å; R580-D602 IonicContact NH2-OD2 3.87Å; R580-D602 PolarHBondContact NH2-OD2 3.29Å; S600-D602 VanDerWaalsContact C-N 3.26Å; S600-D602 PolarHBondContact O-N 2.73Å; D602-N604 PolarHBondContact O-N 3.38Å; D602-H605 HydrophobicContact CB-CB 4.25Å; D602-H605 VanDerWaalsContact O-CB 3.23Å; D602-H605 WeakPolarHBondContact O-CB 3.48Å; D602-H605 PolarHBondContact O-N 3.49Å; D602-H605 IonicContact OD1-ND1 3.34Å
603	H	88.9	Confident	89.7	Confident	25 Å²	25	66.9 Å²	66.9	12%	0.116	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	134.2	-177.8	-177.3	77.5	0	0	0	112.2	D410 Y412 H453 S600 H605	D410-H603 IonicContact OD1-NE2 2.68Å; Y412-H603 AromaticContact CE2-NE2 3.38Å; Y412-H603 WeakPolarHBondContact CE2-NE2 3.39Å; H453-H603 AromaticContact CD2-CG 3.92Å; H453-H603 WeakPolarHBondContact CE1-CB 3.39Å; H453-H603 AromaticContact CE1-CD2 3.98Å; H453-H603 AromaticContact CE1-CE1 3.67Å; H453-H603 AromaticContact CE1-CG 3.35Å; H453-H603 AromaticContact CE1-ND1 3.64Å; H453-H603 AromaticContact CG-CD2 3.53Å; H453-H603 AromaticContact CG-CG 3.67Å; H453-H603 AromaticContact ND1-CD2 3.5Å; H453-H603 AromaticContact ND1-CE1 3.91Å; H453-H603 AromaticContact ND1-CG 3.33Å; H453-H603 VanDerWaalsContact ND1-CG 3.33Å; H453-H603 AromaticContact ND1-ND1 3.61Å; H453-H603 WeakPolarHBondContact NE2-CB 3.49Å; H453-H603 AromaticContact NE2-CG 3.73Å; S600-H603 PolarHBondContact OG-N 2.92Å; H603-H605 PolarHBondContact O-CD2 2.96Å; H603-H605 VanDerWaalsContact O-CD2 3.24Å; H603-H605 PolarHBondContact O-N 2.89Å
604	N	87.1	Confident	88.8	Confident	26 Å²	26	62.6 Å²	62.6	14%	0.139	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	-1.4	-172.2	-68.5	-22.5	0	0	0	116.8	H450 D602 G606 K607 L608	H450-N604 VanDerWaalsContact CB-ND2 3.33Å; H450-N604 WeakPolarHBondContact CB-ND2 3.39Å; D602-N604 PolarHBondContact O-N 3.38Å; N604-G606 PolarHBondContact O-N 3.44Å; N604-K607 WeakPolarHBondContact O-CA 3.32Å; N604-K607 WeakPolarHBondContact O-CB 3.46Å; N604-K607 PolarHBondContact O-N 3.15Å; N604-K607 WeakPolarHBondContact OD1-CD 3.49Å; N604-L608 WeakPolarHBondContact O-CG 3.45Å; N604-L608 PolarHBondContact O-N 3.11Å
605	H	89.8	Confident	87.9	Confident	11 Å²	11	64 Å²	64	5%	0.051	33%	0.325	C	S	.	.	H	α-helix	trans	-57.7	-50	-177	-75.6	-157.7	0	0	0	112.5	M576 E579 D602 H603 K607 L608 I609	M576-H605 HydrophobicContact CE-CB 3.4Å; M576-H605 PolarHBondContact O-CE1 3Å; E579-H605 IonicContact OE2-CD2 3.47Å; E579-H605 PolarHBondContact OE2-CD2 3.34Å; E579-H605 IonicContact OE2-CE1 3.86Å; E579-H605 IonicContact OE2-NE2 3.16Å; E579-H605 PolarHBondContact OE2-NE2 2.95Å; D602-H605 HydrophobicContact CB-CB 4.25Å; D602-H605 VanDerWaalsContact O-CB 3.23Å; D602-H605 WeakPolarHBondContact O-CB 3.48Å; D602-H605 PolarHBondContact O-N 3.49Å; D602-H605 IonicContact OD1-ND1 3.34Å; H603-H605 PolarHBondContact O-CD2 2.96Å; H603-H605 VanDerWaalsContact O-CD2 3.24Å; H603-H605 PolarHBondContact O-N 2.89Å; H605-K607 VanDerWaalsContact C-N 3.27Å; H605-K607 PolarHBondContact O-N 3.42Å; H605-L608 PolarHBondContact O-N 3.5Å; H605-I609 PolarHBondContact O-N 3.46Å; H605-I609 VanDerWaalsContact O-N 3.09Å
606	G	86.9	Confident	87.1	Confident	42 Å²	42	64.2 Å²	64.2	43%	0.433	33%	0.326	S	S	.	.	H	α-helix	trans	-69.7	-17.4	175.4	0	0	0	0	0	114.8	N604 R610	N604-G606 PolarHBondContact O-N 3.44Å; G606-R610 WeakPolarHBondContact O-CB 3.13Å; G606-R610 VanDerWaalsContact O-CG 3.3Å; G606-R610 WeakPolarHBondContact O-CG 3.41Å; G606-R610 PolarHBondContact O-N 3.08Å; G606-R610 PolarHBondContact O-NE 3.45Å
607	K	85.9	Confident	86.3	Confident	56 Å²	56	71.3 Å²	71.3	24%	0.243	36%	0.357	C	S	.	.	H	α-helix	trans	-78.8	-43	172	-64.8	-176.1	-177.2	169.6	0	110.5	E406 D410 N604 H605 R610 K611	E406-K607 WeakPolarHBondContact OE1-CD 3.39Å; E406-K607 VanDerWaalsContact OE1-CE 3.23Å; E406-K607 WeakPolarHBondContact OE1-CE 3.5Å; E406-K607 VanDerWaalsContact OE1-CG 3.31Å; E406-K607 WeakPolarHBondContact OE1-CG 3.45Å; D410-K607 IonicContact OD2-NZ 3.49Å; D410-K607 PolarHBondContact OD2-NZ 3.28Å; N604-K607 WeakPolarHBondContact O-CA 3.32Å; N604-K607 WeakPolarHBondContact O-CB 3.46Å; N604-K607 PolarHBondContact O-N 3.15Å; N604-K607 WeakPolarHBondContact OD1-CD 3.49Å; H605-K607 VanDerWaalsContact C-N 3.27Å; H605-K607 PolarHBondContact O-N 3.42Å; K607-R610 PolarHBondContact O-N 3.02Å; K607-K611 VanDerWaalsContact O-CB 3.31Å; K607-K611 WeakPolarHBondContact O-CB 3.41Å; K607-K611 PolarHBondContact O-N 3.38Å
608	L	87.8	Confident	85.9	Confident	20 Å²	20	64 Å²	64	11%	0.105	32%	0.323	C	S	.	.	H	α-helix	trans	-61.2	-48.8	176.7	-69.2	170.2	0	0	0	111.5	Q446 M447 L572 N604 H605 R610 K611 Y612	Q446-L608 VanDerWaalsContact O-CD2 3.31Å; Q446-L608 WeakPolarHBondContact O-CD2 3.49Å; M447-L608 HydrophobicContact CG-CD1 4.07Å; L572-L608 HydrophobicContact CD2-CB 4.41Å; N604-L608 WeakPolarHBondContact O-CG 3.45Å; N604-L608 PolarHBondContact O-N 3.11Å; H605-L608 PolarHBondContact O-N 3.5Å; L608-R610 PolarHBondContact O-N 2.93Å; L608-K611 PolarHBondContact O-N 3.5Å; L608-Y612 HydrophobicContact CD2-CD2 4.15Å; L608-Y612 HydrophobicContact CD2-CE2 4.03Å; L608-Y612 WeakPolarHBondContact O-CD2 3.42Å; L608-Y612 PolarHBondContact O-N 3.14Å
609	I	89.3	Confident	85.2	Confident	44 Å²	44	69.7 Å²	69.7	23%	0.226	35%	0.35	C	S	.	.	H	α-helix	trans	-58.2	-49.9	177	-72.4	166.8	0	0	0	111.4	M576 H605 K611 G613 E614	M576-I609 HydrophobicContact CE-CD1 3.67Å; M576-I609 HydrophobicContact CE-CG1 4.01Å; M576-I609 HydrophobicContact SD-CG1 4.3Å; H605-I609 PolarHBondContact O-N 3.46Å; H605-I609 VanDerWaalsContact O-N 3.09Å; I609-K611 VanDerWaalsContact C-N 3.26Å; I609-K611 PolarHBondContact O-N 3.47Å; I609-G613 WeakPolarHBondContact O-CA 3.35Å; I609-G613 PolarHBondContact O-N 3.36Å; I609-E614 HydrophobicContact CG2-CG 3.98Å
610	R	87.4	Confident	84.3	Confident	173 Å²	173	71.3 Å²	71.3	65%	0.653	36%	0.359	S	S	*	.	H	α-helix	trans	-61.9	-31.2	179.1	-77.4	-177.6	-67.9	151.5	3.8	113.4	E406 G606 K607 L608	E406-R610 IonicContact OE1-NH2 2.64Å; E406-R610 IonicContact OE2-CZ 3.29Å; E406-R610 IonicContact OE2-NH1 3.93Å; E406-R610 PolarHBondContact OE2-NH1 3.47Å; E406-R610 IonicContact OE2-NH2 3.61Å; E406-R610 PolarHBondContact OE2-NH2 2.96Å; G606-R610 WeakPolarHBondContact O-CB 3.13Å; G606-R610 VanDerWaalsContact O-CG 3.3Å; G606-R610 WeakPolarHBondContact O-CG 3.41Å; G606-R610 PolarHBondContact O-N 3.08Å; G606-R610 PolarHBondContact O-NE 3.45Å; K607-R610 PolarHBondContact O-N 3.02Å; L608-R610 PolarHBondContact O-N 2.93Å
611	K	85.6	Confident	82.6	Confident	146 Å²	146	76.9 Å²	76.9	64%	0.635	40%	0.398	S	S	*	.	H	α-helix	trans	-87.8	-33	-175.7	-173.3	175.9	177.7	-167.1	0	113.8	K607 L608 I609	K607-K611 VanDerWaalsContact O-CB 3.31Å; K607-K611 WeakPolarHBondContact O-CB 3.41Å; K607-K611 PolarHBondContact O-N 3.38Å; L608-K611 PolarHBondContact O-N 3.5Å; I609-K611 VanDerWaalsContact C-N 3.26Å; I609-K611 PolarHBondContact O-N 3.47Å
612	Y	85.1	Confident	82	Confident	74 Å²	74	79.8 Å²	79.8	29%	0.29	41%	0.412	S	S	.	.	H	α-helix	trans	-120.6	-6	-170.2	-62.7	-69	0	0	0	114.7	Q446 L608 L616	Q446-Y612 HydrophobicContact CB-CD2 4.28Å; Q446-Y612 HydrophobicContact CB-CE1 4.45Å; Q446-Y612 HydrophobicContact CB-CE2 3.78Å; Q446-Y612 HydrophobicContact CG-CD1 4.11Å; Q446-Y612 HydrophobicContact CG-CD2 4.34Å; Q446-Y612 HydrophobicContact CG-CE1 3.62Å; Q446-Y612 HydrophobicContact CG-CE2 3.88Å; Q446-Y612 HydrophobicContact CG-CG 4.46Å; Q446-Y612 VanDerWaalsContact CG-CZ 3.49Å; L608-Y612 HydrophobicContact CD2-CD2 4.15Å; L608-Y612 HydrophobicContact CD2-CE2 4.03Å; L608-Y612 WeakPolarHBondContact O-CD2 3.42Å; L608-Y612 PolarHBondContact O-N 3.14Å; Y612-L616 HydrophobicContact CG-CD2 4.38Å
613	G	81.5	Confident	81.5	Confident	34 Å²	34	80.4 Å²	80.4	35%	0.351	42%	0.415	S	S	.	.			trans	82.9	168.7	-174	0	0	0	0	0	113	I609	I609-G613 WeakPolarHBondContact O-CA 3.35Å; I609-G613 PolarHBondContact O-N 3.36Å
614	E	75.6	Confident	81.1	Confident	81 Å²	81	83.5 Å²	83.5	38%	0.379	43%	0.432	S	S	.	.	S	Bend	trans	-80	-33.4	-178.9	-49.8	-147.8	118.8	0	0	112.2	R573 I609	R573-E614 IonicContact CZ-OE1 3.27Å; R573-E614 IonicContact CZ-OE2 2.74Å; R573-E614 VanDerWaalsContact CZ-OE2 3.23Å; R573-E614 IonicContact NE-OE1 2.67Å; R573-E614 IonicContact NH1-OE2 3.21Å; R573-E614 PolarHBondContact NH1-OE2 3.28Å; R573-E614 IonicContact NH2-OE1 3.09Å; R573-E614 PolarHBondContact NH2-OE1 3.32Å; R573-E614 IonicContact NH2-OE2 3.43Å; R573-E614 PolarHBondContact NH2-OE2 2.89Å; I609-E614 HydrophobicContact CG2-CG 3.98Å
615	D	74.7	Confident	80.7	Confident	147 Å²	147	86.9 Å²	86.9	79%	0.786	45%	0.449	S	S	*	.			trans	-98.8	21	-170.6	-53.3	-54.8	0	0	0	113.7	Q617	D615-Q617 PolarHBondContact O-N 3.15Å
616	L	77.6	Confident	80.1	Confident	48 Å²	48	91.6 Å²	91.6	25%	0.251	47%	0.474	S	S	.	.			trans	-59.6	110.3	176.6	-180	71.6	0	0	0	109.8	L572 Y612 I618	L572-L616 HydrophobicContact CB-CB 4.29Å; L572-L616 HydrophobicContact CD2-CB 4.47Å; L572-L616 PolarHBondContact N-O 3.39Å; Y612-L616 HydrophobicContact CG-CD2 4.38Å; L616-I618 HydrophobicContact CD2-CD1 3.65Å; L616-I618 HydrophobicContact CG-CD1 3.92Å
617	Q	75.4	Confident	79.7	Confident	177 Å²	177	94.9 Å²	94.9	83%	0.827	48%	0.477	S	S	*	.			trans	-68.3	136.1	169.3	-66.8	-166.7	-5.3	0	0	109.8	D615	D615-Q617 PolarHBondContact O-N 3.15Å
618	I	81.4	Confident	79.2	Confident	21 Å²	21	97.7 Å²	97.7	11%	0.108	49%	0.493	C	S	.	.			trans	-108.6	102.3	-173.6	-58.3	-61.8	0	0	0	109.8	P444 A568 L572 L575 L616 L620	P444-I618 HydrophobicContact CB-CD1 4.16Å; P444-I618 HydrophobicContact CB-CG2 3.87Å; P444-I618 HydrophobicContact CG-CD1 4Å; P444-I618 HydrophobicContact CG-CG2 3.97Å; A568-I618 HydrophobicContact CB-CB 4.22Å; A568-I618 HydrophobicContact CB-CG2 4.14Å; L572-I618 HydrophobicContact CB-CD1 4.5Å; L575-I618 HydrophobicContact CD1-CB 4.24Å; L575-I618 HydrophobicContact CD1-CG1 3.93Å; L575-I618 HydrophobicContact CD1-CG2 3.85Å; L616-I618 HydrophobicContact CD2-CD1 3.65Å; L616-I618 HydrophobicContact CG-CD1 3.92Å; I618-L620 HydrophobicContact CG2-CD2 3.61Å; I618-L620 HydrophobicContact CG2-CG 4.26Å
619	E	74.1	Confident	78.6	Confident	187 Å²	187	103.7 Å²	103.7	87%	0.874	52%	0.523	S	S	*	.			trans	-76.9	123.3	163.1	-65.3	-175	171.2	0	0	109.1
620	L	75.5	Confident	77.7	Confident	51 Å²	51	108.7 Å²	108.7	27%	0.267	55%	0.548	S	S	.	.			trans	-94.7	125.2	177.8	-64.2	-179	0	0	0	110.1	H442 V564 Q565 A568 I618	H442-L620 WeakPolarHBondContact O-CD2 3.33Å; V564-L620 HydrophobicContact CG1-CD1 4.02Å; V564-L620 HydrophobicContact CG1-CD2 4.25Å; Q565-L620 HydrophobicContact CB-CD1 4.25Å; Q565-L620 HydrophobicContact CG-CD1 3.71Å; A568-L620 HydrophobicContact CB-CD1 3.65Å; A568-L620 HydrophobicContact CB-CD2 4.14Å; A568-L620 HydrophobicContact CB-CG 3.87Å; I618-L620 HydrophobicContact CG2-CD2 3.61Å; I618-L620 HydrophobicContact CG2-CG 4.26Å
621	S	58.4	Low	76.8	Confident	165 Å²	165	102.8 Å²	102.8	100%	1.154	54%	0.538	S	S	*	.			trans	-77	0	174.3	64.6	0	0	0	0	113.4

Retrieved 621 of 621 residues in 751.5 ms (Link to these results)

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