A0A096NMN1_PAPAN Loading...

ADP-dependent glucokinase

Catalyzes the phosphorylation of D-glucose to D-glucose 6-phosphate using ADP as the phosphate donor. GDP and CDP can replace ADP, but with reduced efficiency.

AlphaFold DB (A0A2K6CKM2), UniProt , Accession A0A096NMN1, Species PAPAN (Papio anubis, Olive baboon), Gene ADPGK, Length 497 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.6	Very low	49.2	Very low	228 Å²	228	123.3 Å²	123.3	100%	1.123	67%	0.674	S	S	*	*				0	6.9	0	-87.1	-172.9	-99.9	0	0	114.9
2	A	46	Very low	50.5	Low	86 Å²	86	126.8 Å²	126.8	71%	0.711	68%	0.679	S	S	*	*			trans	-95.9	-25.4	178.4	0	0	0	0	0	114.6	W4	A2-W4 VanDerWaalsContact C-N 3.35Å; A2-W4 PolarHBondContact O-N 3.11Å
3	L	38.4	Very low	51.4	Low	160 Å²	160	124.5 Å²	124.5	84%	0.838	67%	0.666	S	S	*	*	H	α-helix	trans	-74.9	-17.2	-177.2	-98.3	108.4	0	0	0	115.2	S7	L3-S7 PolarHBondContact O-OG 3.44Å
4	W	40.9	Very low	52.4	Low	222 Å²	222	120.3 Å²	120.3	84%	0.841	66%	0.656	S	S	*	*	H	α-helix	trans	-92.2	-11.1	-177	-80.6	52.4	0	0	0	113.8	A2	A2-W4 VanDerWaalsContact C-N 3.35Å; A2-W4 PolarHBondContact O-N 3.11Å
5	R	46.1	Very low	53.5	Low	190 Å²	190	120.3 Å²	120.3	72%	0.717	66%	0.655	S	S	*	*	H	α-helix	trans	-80.6	-41	176.8	-75.4	-174.4	173.1	-171.2	-2.3	111.6	S7 A8 Y9	R5-S7 PolarHBondContact O-N 3.38Å; R5-A8 PolarHBondContact O-N 3.35Å; R5-Y9 WeakPolarHBondContact O-CD2 3.48Å; R5-Y9 PolarHBondContact O-N 3.06Å
6	G	46.9	Very low	54.3	Low	50 Å²	50	115.9 Å²	115.9	52%	0.515	64%	0.639	S	S	.	*	H	α-helix	trans	-63.9	-39.1	-177.7	0	0	0	0	0	114.3	Y9 A10	G6-Y9 PolarHBondContact O-N 3.43Å; G6-A10 WeakPolarHBondContact O-CB 3.45Å; G6-A10 PolarHBondContact O-N 3.07Å
7	S	51.2	Low	54.9	Low	78 Å²	78	113.2 Å²	113.2	55%	0.545	63%	0.627	S	S	.	*	H	α-helix	trans	-71	-32.5	178.7	37.8	0	0	0	0	113.1	L3 R5 G11	L3-S7 PolarHBondContact O-OG 3.44Å; R5-S7 PolarHBondContact O-N 3.38Å; S7-G11 PolarHBondContact O-N 3.44Å; S7-G11 VanDerWaalsContact O-N 3.07Å
8	A	52.8	Low	55.6	Low	62 Å²	62	108.6 Å²	108.6	51%	0.512	61%	0.61	S	S	.	*	H	α-helix	trans	-69.5	-40.2	174.2	0	0	0	0	0	112.1	R5 G11 F12	R5-A8 PolarHBondContact O-N 3.35Å; A8-G11 PolarHBondContact O-N 3.11Å; A8-F12 PolarHBondContact O-N 3.14Å; A8-F12 VanDerWaalsContact O-N 3.07Å
9	Y	53.3	Low	56.1	Low	179 Å²	179	106.3 Å²	106.3	70%	0.702	60%	0.6	S	S	*	*	H	α-helix	trans	-67.9	-40.3	176	-83.3	-75.5	0	0	0	112.6	R5 G6 F12 L13	R5-Y9 WeakPolarHBondContact O-CD2 3.48Å; R5-Y9 PolarHBondContact O-N 3.06Å; G6-Y9 PolarHBondContact O-N 3.43Å; Y9-F12 PolarHBondContact O-N 3.49Å; Y9-L13 WeakPolarHBondContact O-CB 3.35Å; Y9-L13 PolarHBondContact O-N 3.38Å
10	A	57.1	Low	56.5	Low	63 Å²	63	105 Å²	105	52%	0.521	60%	0.595	S	S	.	*	H	α-helix	trans	-64.7	-40.5	175.9	0	0	0	0	0	112	G6 L13 A14	G6-A10 WeakPolarHBondContact O-CB 3.45Å; G6-A10 PolarHBondContact O-N 3.07Å; A10-L13 PolarHBondContact O-N 3.39Å; A10-A14 WeakPolarHBondContact O-CB 3.48Å; A10-A14 PolarHBondContact O-N 2.92Å
11	G	65.3	Low	56.7	Low	38 Å²	38	105 Å²	105	39%	0.392	59%	0.588	S	S	.	*	H	α-helix	trans	-63.6	-40.6	175.4	0	0	0	0	0	113	S7 A8 L15	S7-G11 PolarHBondContact O-N 3.44Å; S7-G11 VanDerWaalsContact O-N 3.07Å; A8-G11 PolarHBondContact O-N 3.11Å; G11-L15 PolarHBondContact O-N 3.49Å; G11-L15 VanDerWaalsContact O-N 3.14Å
12	F	64.6	Low	57.5	Low	166 Å²	166	101.3 Å²	101.3	73%	0.728	57%	0.573	S	S	*	*	H	α-helix	trans	-69	-38.6	178.3	-136.6	-87.5	0	0	0	112.4	A8 Y9 L15 A16	A8-F12 PolarHBondContact O-N 3.14Å; A8-F12 VanDerWaalsContact O-N 3.07Å; Y9-F12 PolarHBondContact O-N 3.49Å; F12-L15 PolarHBondContact O-N 3.44Å; F12-A16 WeakPolarHBondContact O-CB 3.44Å; F12-A16 PolarHBondContact O-N 2.97Å
13	L	62.1	Low	58.1	Low	97 Å²	97	104.1 Å²	104.1	51%	0.508	58%	0.575	S	S	.	*	H	α-helix	trans	-67.9	-40.5	177.9	-157.5	79.8	0	0	0	111.5	Y9 A10 L15 A16 V17	Y9-L13 WeakPolarHBondContact O-CB 3.35Å; Y9-L13 PolarHBondContact O-N 3.38Å; A10-L13 PolarHBondContact O-N 3.39Å; L13-L15 VanDerWaalsContact C-N 3.35Å; L13-L15 PolarHBondContact O-N 2.92Å; L13-A16 PolarHBondContact O-N 2.94Å; L13-V17 WeakPolarHBondContact O-CB 3.34Å; L13-V17 VanDerWaalsContact O-CG2 3.29Å; L13-V17 WeakPolarHBondContact O-CG2 3.41Å; L13-V17 PolarHBondContact O-N 3.35Å
14	A	65.9	Low	58.9	Low	65 Å²	65	102.4 Å²	102.4	54%	0.537	56%	0.562	S	S	.	*	H	α-helix	trans	-64.4	-38.9	176.2	0	0	0	0	0	112.2	A10 G18	A10-A14 WeakPolarHBondContact O-CB 3.48Å; A10-A14 PolarHBondContact O-N 2.92Å; A14-G18 PolarHBondContact O-N 3.07Å
15	L	68	Low	59.5	Low	121 Å²	121	97.5 Å²	97.5	63%	0.634	56%	0.559	S	S	*	*	H	α-helix	trans	-67	-41.9	174.7	-112.1	147.8	0	0	0	112.1	G11 F12 L13 G18 C19	G11-L15 PolarHBondContact O-N 3.49Å; G11-L15 VanDerWaalsContact O-N 3.14Å; F12-L15 PolarHBondContact O-N 3.44Å; L13-L15 VanDerWaalsContact C-N 3.35Å; L13-L15 PolarHBondContact O-N 2.92Å; L15-G18 PolarHBondContact O-N 3.3Å; L15-C19 WeakPolarHBondContact O-CB 3.43Å; L15-C19 PolarHBondContact O-N 3.27Å; L15-C19 PolarHBondContact O-SG 3.46Å
16	A	66.4	Low	59.9	Low	49 Å²	49	97 Å²	97	41%	0.405	57%	0.565	S	S	.	*	H	α-helix	trans	-64.8	-45.1	177.5	0	0	0	0	0	112.1	F12 L13 C19 V20	F12-A16 WeakPolarHBondContact O-CB 3.44Å; F12-A16 PolarHBondContact O-N 2.97Å; L13-A16 PolarHBondContact O-N 2.94Å; A16-C19 PolarHBondContact O-N 3.35Å; A16-V20 WeakPolarHBondContact O-CG2 3.44Å; A16-V20 PolarHBondContact O-N 3.08Å; A16-V20 VanDerWaalsContact O-N 3.08Å
17	V	65.4	Low	60.3	Low	70 Å²	70	97.1 Å²	97.1	42%	0.424	55%	0.553	S	S	.	*	H	α-helix	trans	-66.5	-40.5	176.8	174.3	0	0	0	0	110.9	L13 C19 V20 F21	L13-V17 WeakPolarHBondContact O-CB 3.34Å; L13-V17 VanDerWaalsContact O-CG2 3.29Å; L13-V17 WeakPolarHBondContact O-CG2 3.41Å; L13-V17 PolarHBondContact O-N 3.35Å; V17-C19 PolarHBondContact O-N 3.43Å; V17-V20 PolarHBondContact O-N 3.48Å; V17-F21 HydrophobicContact CG1-CD2 3.94Å; V17-F21 HydrophobicContact CG1-CE2 4.12Å; V17-F21 WeakPolarHBondContact O-CD2 3.48Å; V17-F21 PolarHBondContact O-N 3.04Å; V17-F21 VanDerWaalsContact O-N 3.07Å
18	G	66.8	Low	60.5	Low	31 Å²	31	97.3 Å²	97.3	32%	0.32	55%	0.553	S	S	.	*	H	α-helix	trans	-62.3	-40.1	175.2	0	0	0	0	0	113.2	A14 L15 L22	A14-G18 PolarHBondContact O-N 3.07Å; L15-G18 PolarHBondContact O-N 3.3Å; G18-L22 WeakPolarHBondContact O-CB 3.2Å; G18-L22 PolarHBondContact O-N 3.45Å; G18-L22 VanDerWaalsContact O-N 3.11Å
19	C	64.9	Low	60.6	Low	64 Å²	64	96.4 Å²	96.4	43%	0.432	55%	0.55	S	S	.	.	H	α-helix	trans	-66.6	-37.6	174.9	-79	0	0	0	0	112.7	L15 A16 V17 L22 L23	L15-C19 WeakPolarHBondContact O-CB 3.43Å; L15-C19 PolarHBondContact O-N 3.27Å; L15-C19 PolarHBondContact O-SG 3.46Å; A16-C19 PolarHBondContact O-N 3.35Å; V17-C19 PolarHBondContact O-N 3.43Å; C19-L22 PolarHBondContact O-N 3.2Å; C19-L23 WeakPolarHBondContact O-CB 3.46Å; C19-L23 WeakPolarHBondContact O-CD1 3.49Å; C19-L23 WeakPolarHBondContact O-CG 3.29Å; C19-L23 PolarHBondContact O-N 3.02Å; C19-L23 VanDerWaalsContact O-N 3.11Å
20	V	63.9	Low	60.5	Low	81 Å²	81	91.7 Å²	91.7	49%	0.491	54%	0.543	S	S	.	.	H	α-helix	trans	-65.3	-43	176.8	169.3	0	0	0	0	111.2	A16 V17 L22 L23 E24 L27	A16-V20 WeakPolarHBondContact O-CG2 3.44Å; A16-V20 PolarHBondContact O-N 3.08Å; A16-V20 VanDerWaalsContact O-N 3.08Å; V17-V20 PolarHBondContact O-N 3.48Å; V20-L22 VanDerWaalsContact C-N 3.32Å; V20-L22 PolarHBondContact O-N 2.92Å; V20-L23 PolarHBondContact O-N 2.85Å; V20-E24 PolarHBondContact O-N 3.41Å; V20-L27 HydrophobicContact CG1-CD1 3.65Å
21	F	60.4	Low	60.4	Low	105 Å²	105	90.4 Å²	90.4	46%	0.461	53%	0.532	S	S	.	.	H	α-helix	trans	-69.6	-25.4	177	-92.8	-81.7	0	0	0	114.3	V17 L32	V17-F21 HydrophobicContact CG1-CD2 3.94Å; V17-F21 HydrophobicContact CG1-CE2 4.12Å; V17-F21 WeakPolarHBondContact O-CD2 3.48Å; V17-F21 PolarHBondContact O-N 3.04Å; V17-F21 VanDerWaalsContact O-N 3.07Å; F21-L32 HydrophobicContact CE2-CD2 4.13Å; F21-L32 HydrophobicContact CZ-CD1 4.14Å; F21-L32 HydrophobicContact CZ-CD2 3.84Å
22	L	60.8	Low	59.9	Low	151 Å²	151	91.2 Å²	91.2	79%	0.791	53%	0.527	S	S	*	.	H	α-helix	trans	-80	-27.9	175.1	-87	160.4	0	0	0	113.1	G18 C19 V20	G18-L22 WeakPolarHBondContact O-CB 3.2Å; G18-L22 PolarHBondContact O-N 3.45Å; G18-L22 VanDerWaalsContact O-N 3.11Å; C19-L22 PolarHBondContact O-N 3.2Å; V20-L22 VanDerWaalsContact C-N 3.32Å; V20-L22 PolarHBondContact O-N 2.92Å
23	L	59.6	Low	59.5	Low	144 Å²	144	92.1 Å²	92.1	75%	0.754	53%	0.526	S	S	*	.	H	α-helix	trans	-91.6	-29.1	-177.2	-72.4	166.2	0	0	0	113	C19 V20	C19-L23 WeakPolarHBondContact O-CB 3.46Å; C19-L23 WeakPolarHBondContact O-CD1 3.49Å; C19-L23 WeakPolarHBondContact O-CG 3.29Å; C19-L23 PolarHBondContact O-N 3.02Å; C19-L23 VanDerWaalsContact O-N 3.11Å; V20-L23 PolarHBondContact O-N 2.85Å
24	E	53.9	Low	59.1	Low	124 Å²	124	91 Å²	91	58%	0.579	53%	0.526	S	S	*	.			trans	-134.7	94.7	176.4	-69	-157.3	171.6	0	0	112	V20 E26	V20-E24 PolarHBondContact O-N 3.41Å; E24-E26 PolarHBondContact O-N 3.48Å
25	P	54.2	Low	58.3	Low	119 Å²	119	92.8 Å²	92.8	77%	0.773	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-6.3	-176.8	27.3	-32.7	0	0	0	114.7
26	E	54.2	Low	57.4	Low	179 Å²	179	94.7 Å²	94.7	84%	0.836	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.6	54	-179.4	-65.1	-158.1	169.9	0	0	113.3	E24 P28	E24-E26 PolarHBondContact O-N 3.48Å; E26-P28 WeakPolarHBondContact O-CD 3.49Å
27	L	56.3	Low	56.8	Low	53 Å²	53	96.3 Å²	96.3	28%	0.277	53%	0.533	S	S	.	.			trans	-71.9	123.3	169.5	-87.9	156.1	0	0	0	110.8	V20 A31	V20-L27 HydrophobicContact CG1-CD1 3.65Å; L27-A31 HydrophobicContact CD2-CB 4.38Å
28	P	55.7	Low	56.1	Low	83 Å²	83	97.4 Å²	97.4	54%	0.539	54%	0.544	S	S	.	.			trans	-65	137.9	179.2	11.7	-13.1	0	0	0	111.2	E26 S30 A31	E26-P28 WeakPolarHBondContact O-CD 3.49Å; P28-S30 PolarHBondContact O-N 3.07Å; P28-A31 PolarHBondContact O-N 3.05Å
29	G	54.7	Low	55.4	Low	43 Å²	43	99.7 Å²	99.7	44%	0.443	55%	0.549	S	S	.	.	H	α-helix	trans	-60.6	-4.7	-174.7	0	0	0	0	0	116.2	R33	G29-R33 PolarHBondContact O-NE 3.32Å
30	S	51.5	Low	54.6	Low	80 Å²	80	102.1 Å²	102.1	56%	0.559	57%	0.565	S	S	*	*	H	α-helix	trans	-78.7	-38.1	169.6	51.4	0	0	0	0	112.6	P28 R33 S34	P28-S30 PolarHBondContact O-N 3.07Å; S30-R33 PolarHBondContact O-N 3.25Å; S30-S34 PolarHBondContact O-N 3.07Å; S30-S34 VanDerWaalsContact O-N 3.12Å
31	A	54.3	Low	53.7	Low	36 Å²	36	104.3 Å²	104.3	30%	0.298	57%	0.574	S	S	.	*	H	α-helix	trans	-67.1	-39.7	178	0	0	0	0	0	111.4	L27 P28 S34 L35	L27-A31 HydrophobicContact CD2-CB 4.38Å; P28-A31 PolarHBondContact O-N 3.05Å; A31-S34 PolarHBondContact O-N 3.36Å; A31-L35 PolarHBondContact O-N 3.36Å; A31-L35 VanDerWaalsContact O-N 3.07Å
32	L	54	Low	53	Low	54 Å²	54	101.7 Å²	101.7	28%	0.283	58%	0.576	S	S	.	*	H	α-helix	trans	-62.4	-44.2	173.2	-81.3	158.7	0	0	0	111.6	F21 S34 L35 W36	F21-L32 HydrophobicContact CE2-CD2 4.13Å; F21-L32 HydrophobicContact CZ-CD1 4.14Å; F21-L32 HydrophobicContact CZ-CD2 3.84Å; L32-S34 VanDerWaalsContact C-N 3.32Å; L32-S34 PolarHBondContact O-N 3.12Å; L32-L35 PolarHBondContact O-N 3.03Å; L32-W36 WeakPolarHBondContact O-CB 3.43Å; L32-W36 PolarHBondContact O-N 2.78Å
33	R	55.8	Low	52.1	Low	185 Å²	185	100.7 Å²	100.7	70%	0.698	58%	0.578	S	S	*	*	H	α-helix	trans	-61.8	-37.8	177.3	-87.5	179.2	-79.7	-157.1	0.6	113.4	G29 S30 W36 S37	G29-R33 PolarHBondContact O-NE 3.32Å; S30-R33 PolarHBondContact O-N 3.25Å; R33-W36 PolarHBondContact O-N 3.2Å; R33-S37 PolarHBondContact O-N 2.94Å; R33-S37 PolarHBondContact O-OG 3Å
34	S	54.1	Low	51.3	Low	74 Å²	74	98 Å²	98	52%	0.517	58%	0.577	S	S	.	*	H	α-helix	trans	-68.5	-37.1	176.8	-169.5	0	0	0	0	113	S30 A31 L32 S37 S38	S30-S34 PolarHBondContact O-N 3.07Å; S30-S34 VanDerWaalsContact O-N 3.12Å; A31-S34 PolarHBondContact O-N 3.36Å; L32-S34 VanDerWaalsContact C-N 3.32Å; L32-S34 PolarHBondContact O-N 3.12Å; S34-S37 PolarHBondContact O-OG 3.44Å; S34-S38 WeakPolarHBondContact O-CB 3.35Å; S34-S38 PolarHBondContact O-N 2.95Å; S34-S38 PolarHBondContact O-OG 3.4Å
35	L	48.7	Very low	50.9	Low	103 Å²	103	98.1 Å²	98.1	54%	0.539	59%	0.588	S	S	.	*	H	α-helix	trans	-67.7	-40.4	174	-108.4	134.2	0	0	0	112	A31 L32 S38 L39	A31-L35 PolarHBondContact O-N 3.36Å; A31-L35 VanDerWaalsContact O-N 3.07Å; L32-L35 PolarHBondContact O-N 3.03Å; L35-S38 PolarHBondContact O-N 3.41Å; L35-L39 HydrophobicContact CD2-CD1 4.47Å; L35-L39 WeakPolarHBondContact O-CD1 3.47Å; L35-L39 WeakPolarHBondContact O-CG 3.43Å; L35-L39 PolarHBondContact O-N 3.27Å
36	W	51	Low	50.4	Low	160 Å²	160	96.5 Å²	96.5	61%	0.606	59%	0.585	S	S	*	*	H	α-helix	trans	-71.5	-35.8	179.5	-82.9	73.6	0	0	0	113.2	L32 R33 S38 L39	L32-W36 WeakPolarHBondContact O-CB 3.43Å; L32-W36 PolarHBondContact O-N 2.78Å; R33-W36 PolarHBondContact O-N 3.2Å; W36-S38 VanDerWaalsContact C-N 3.34Å; W36-L39 PolarHBondContact O-N 3.45Å
37	S	52.8	Low	49.8	Very low	83 Å²	83	93.2 Å²	93.2	58%	0.58	58%	0.58	S	S	*	*	H	α-helix	trans	-67.5	-35.7	173.6	61.1	0	0	0	0	112.2	R33 S34 L39	R33-S37 PolarHBondContact O-N 2.94Å; R33-S37 PolarHBondContact O-OG 3Å; S34-S37 PolarHBondContact O-OG 3.44Å; S37-L39 VanDerWaalsContact C-N 3.28Å; S37-L39 PolarHBondContact O-N 3.24Å
38	S	51.5	Low	49.5	Very low	93 Å²	93	96.6 Å²	96.6	65%	0.65	60%	0.604	S	S	*	*	H	α-helix	trans	-70.9	-22	177.7	-58.2	0	0	0	0	113.4	S34 L35 W36	S34-S38 WeakPolarHBondContact O-CB 3.35Å; S34-S38 PolarHBondContact O-N 2.95Å; S34-S38 PolarHBondContact O-OG 3.4Å; L35-S38 PolarHBondContact O-N 3.41Å; W36-S38 VanDerWaalsContact C-N 3.34Å
39	L	51.8	Low	49.3	Very low	80 Å²	80	95 Å²	95	42%	0.419	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.1	-1.7	-177.6	-74.9	165.7	0	0	0	114.1	L35 W36 S37 L41	L35-L39 HydrophobicContact CD2-CD1 4.47Å; L35-L39 WeakPolarHBondContact O-CD1 3.47Å; L35-L39 WeakPolarHBondContact O-CG 3.43Å; L35-L39 PolarHBondContact O-N 3.27Å; W36-L39 PolarHBondContact O-N 3.45Å; S37-L39 VanDerWaalsContact C-N 3.28Å; S37-L39 PolarHBondContact O-N 3.24Å; L39-L41 HydrophobicContact CB-CD1 4.27Å; L39-L41 WeakPolarHBondContact O-CG 3.49Å; L39-L41 PolarHBondContact O-N 2.99Å
40	C	47.6	Very low	49.5	Very low	115 Å²	115	99.4 Å²	99.4	78%	0.777	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.6	31.4	179.7	-69.5	0	0	0	0	114.4
41	L	45.2	Very low	50.9	Low	127 Å²	127	99.6 Å²	99.6	67%	0.665	62%	0.622	S	S	*	*			trans	-101.6	43.6	-179.3	-77.1	166.8	0	0	0	111.7	L39	L39-L41 HydrophobicContact CB-CD1 4.27Å; L39-L41 WeakPolarHBondContact O-CG 3.49Å; L39-L41 PolarHBondContact O-N 2.99Å
42	G	45.3	Very low	52.8	Low	49 Å²	49	100 Å²	100	51%	0.505	62%	0.622	S	S	.	*	S	Bend	trans	-121.7	160.1	167.1	0	0	0	0	0	110.1	A44	G42-A44 PolarHBondContact O-N 2.89Å
43	P	42.9	Very low	54.8	Low	130 Å²	130	100 Å²	100	84%	0.844	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-53.5	131.2	171.9	24.8	-32.3	0	0	0	108.3
44	A	42.1	Very low	56.8	Low	89 Å²	89	92.8 Å²	92.8	74%	0.736	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-49.8	134.6	179.5	0	0	0	0	0	109	G42 A46	G42-A44 PolarHBondContact O-N 2.89Å; A44-A46 PolarHBondContact O-N 3.22Å; A44-A46 VanDerWaalsContact O-N 3.13Å
45	P	45.6	Very low	58.8	Low	125 Å²	125	89.8 Å²	89.8	81%	0.812	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-53.1	128	174.5	18.2	-26.3	0	0	0	107.6
46	A	44.6	Very low	61.2	Low	85 Å²	85	88.8 Å²	88.8	70%	0.702	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-50.6	138.8	176.5	0	0	0	0	0	108.3	A44	A44-A46 PolarHBondContact O-N 3.22Å; A44-A46 VanDerWaalsContact O-N 3.13Å
47	P	40.1	Very low	63.4	Low	111 Å²	111	81.3 Å²	81.3	72%	0.721	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-52	137.4	174.9	22.7	-31.2	0	0	0	107.9	G49	P47-G49 PolarHBondContact O-N 2.93Å
48	P	50.2	Low	65.6	Low	123 Å²	123	77.7 Å²	77.7	80%	0.799	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-54	119.9	-179.2	22.6	-31.7	0	0	0	107.3
49	G	51.9	Low	67.8	Low	50 Å²	50	76 Å²	76	52%	0.515	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-56.6	171.5	171.2	0	0	0	0	0	110.2	P47 V51	P47-G49 PolarHBondContact O-N 2.93Å; G49-V51 PolarHBondContact O-N 3.07Å
50	P	59.6	Low	70	Confident	135 Å²	135	73.2 Å²	73.2	88%	0.877	50%	0.496	S	S	*	.	S	Bend	trans	-52.6	119.1	176	22.1	-31.1	0	0	0	109.4	S52	P50-S52 PolarHBondContact O-N 3.26Å
51	V	80.9	Confident	72.4	Confident	84 Å²	84	67.7 Å²	67.7	51%	0.509	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-57.3	127.9	-178.7	-176.2	0	0	0	0	108	G49 R56	G49-V51 PolarHBondContact O-N 3.07Å; V51-R56 HydrophobicContact CB-CG 3.78Å; V51-R56 HydrophobicContact CG1-CG 3.79Å; V51-R56 PolarHBondContact O-NE 3.29Å
52	S	93.8	Very high	74.9	Confident	44 Å²	44	66.3 Å²	66.3	31%	0.308	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-52.9	154.6	179.4	60.6	0	0	0	0	111	P50 E54 G55 R56	P50-S52 PolarHBondContact O-N 3.26Å; S52-E54 PolarHBondContact O-N 3.16Å; S52-G55 PolarHBondContact O-N 3.13Å; S52-G55 PolarHBondContact OG-N 3.32Å; S52-G55 VanDerWaalsContact OG-N 3.08Å; S52-R56 PolarHBondContact O-N 3.41Å
53	P	95.6	Very high	77.5	Confident	55 Å²	55	68 Å²	68	36%	0.357	46%	0.462	S	S	.	.	H	α-helix	trans	-48.2	-42.7	172	-26.9	35.5	0	0	0	112.1	R56 L57 L427 P448	P53-R56 PolarHBondContact O-N 3.33Å; P53-L57 VanDerWaalsContact O-CB 3.27Å; P53-L57 WeakPolarHBondContact O-CB 3.28Å; P53-L57 PolarHBondContact O-N 3.05Å; P53-L427 HydrophobicContact CB-CD2 4.32Å; P53-P448 HydrophobicContact CB-CG 4.03Å; P53-P448 WeakPolarHBondContact O-CB 3.42Å
54	E	97.7	Very high	80.1	Confident	34 Å²	34	64.8 Å²	64.8	16%	0.159	44%	0.437	C	S	.	.	H	α-helix	trans	-62.3	-44.6	177.2	-64.6	78.3	-174.4	0	0	112.4	S52 L57 A58 V425 L427 L468	S52-E54 PolarHBondContact O-N 3.16Å; E54-L57 PolarHBondContact O-N 2.93Å; E54-A58 WeakPolarHBondContact O-CB 3.28Å; E54-A58 PolarHBondContact O-N 3.41Å; E54-V425 HydrophobicContact CB-CG2 4.08Å; E54-V425 HydrophobicContact CG-CG2 4.17Å; E54-L427 HydrophobicContact CG-CB 4.25Å; E54-L427 PolarHBondContact OE1-N 2.84Å; E54-L468 HydrophobicContact CB-CD2 3.99Å; E54-L468 HydrophobicContact CG-CD2 3.86Å
55	G	97.1	Very high	82.8	Confident	10 Å²	10	61.3 Å²	61.3	10%	0.103	41%	0.406	C	S	.	.	H	α-helix	trans	-67.6	-38.1	178.7	0	0	0	0	0	113.2	S52 L57 A59	S52-G55 PolarHBondContact O-N 3.13Å; S52-G55 PolarHBondContact OG-N 3.32Å; S52-G55 VanDerWaalsContact OG-N 3.08Å; G55-L57 VanDerWaalsContact C-N 3.33Å; G55-A59 WeakPolarHBondContact O-CB 3.43Å; G55-A59 PolarHBondContact O-N 3.02Å; G55-A59 VanDerWaalsContact O-N 3.07Å
56	R	97.6	Very high	85.3	Confident	83 Å²	83	59.4 Å²	59.4	31%	0.313	39%	0.392	S	S	.	.	H	α-helix	trans	-65.5	-39.9	174.2	-71.3	-172.8	-71.1	141	-4.9	111.4	V51 S52 P53 A60 P448 N449	V51-R56 HydrophobicContact CB-CG 3.78Å; V51-R56 HydrophobicContact CG1-CG 3.79Å; V51-R56 PolarHBondContact O-NE 3.29Å; S52-R56 PolarHBondContact O-N 3.41Å; P53-R56 PolarHBondContact O-N 3.33Å; R56-A60 WeakPolarHBondContact O-CB 3.31Å; R56-A60 PolarHBondContact O-N 3.42Å; R56-P448 CarbonylContact C-O 3.5Å; R56-P448 HydrophobicContact CB-CB 4.05Å; R56-N449 WeakPolarHBondContact CD-OD1 3.43Å; R56-N449 PolarHBondContact NH1-ND2 2.96Å
57	L	98.3	Very high	87.8	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.01	37%	0.368	C	S	.	.	H	α-helix	trans	-66	-48.8	178.4	-164.7	148.7	0	0	0	112.2	P53 E54 G55 A59 A60 W61 L427 P448 P451 P466 L468	P53-L57 VanDerWaalsContact O-CB 3.27Å; P53-L57 WeakPolarHBondContact O-CB 3.28Å; P53-L57 PolarHBondContact O-N 3.05Å; E54-L57 PolarHBondContact O-N 2.93Å; G55-L57 VanDerWaalsContact C-N 3.33Å; L57-A59 VanDerWaalsContact C-N 3.33Å; L57-A59 PolarHBondContact O-N 2.93Å; L57-A60 PolarHBondContact O-N 2.99Å; L57-W61 HydrophobicContact CD2-CD2 3.5Å; L57-W61 VanDerWaalsContact CD2-CE2 3.44Å; L57-W61 HydrophobicContact CD2-CE3 3.56Å; L57-W61 HydrophobicContact CD2-CG 4.29Å; L57-W61 HydrophobicContact CD2-CH2 3.56Å; L57-W61 HydrophobicContact CD2-CZ2 3.51Å; L57-W61 HydrophobicContact CD2-CZ3 3.59Å; L57-W61 PolarHBondContact O-N 3.42Å; L57-L427 HydrophobicContact CD1-CD1 4.06Å; L57-L427 HydrophobicContact CD1-CD2 4.47Å; L57-P448 VanDerWaalsContact CA-O 3.23Å; L57-P448 WeakPolarHBondContact CA-O 3.33Å; L57-P448 HydrophobicContact CB-CB 4.34Å; L57-P448 PolarHBondContact N-O 2.97Å; L57-P451 HydrophobicContact CD1-CB 3.72Å; L57-P451 HydrophobicContact CD2-CB 4.19Å; L57-P451 HydrophobicContact CD2-CG 4.45Å; L57-P451 HydrophobicContact CG-CB 3.56Å; L57-P451 HydrophobicContact CG-CG 4.01Å; L57-P466 HydrophobicContact CD1-CG 3.54Å; L57-L468 HydrophobicContact CB-CD2 4.42Å; L57-L468 HydrophobicContact CD1-CD2 4.41Å; L57-L468 HydrophobicContact CD2-CD1 3.9Å; L57-L468 HydrophobicContact CD2-CD2 4.03Å; L57-L468 HydrophobicContact CD2-CG 3.82Å
58	A	98.2	Very high	90.5	Very high	7 Å²	7	52.7 Å²	52.7	6%	0.058	33%	0.334	C	S	.	.	H	α-helix	trans	-58.2	-44.9	176.1	0	0	0	0	0	111.5	E54 A60 W61 D62 I420 T422 L468	E54-A58 WeakPolarHBondContact O-CB 3.28Å; E54-A58 PolarHBondContact O-N 3.41Å; A58-A60 VanDerWaalsContact C-N 3.35Å; A58-A60 PolarHBondContact O-N 3.34Å; A58-W61 WeakPolarHBondContact O-CB 3.28Å; A58-W61 PolarHBondContact O-N 3.48Å; A58-D62 PolarHBondContact O-N 3.02Å; A58-I420 HydrophobicContact CB-CB 4.23Å; A58-I420 HydrophobicContact CB-CG2 4.04Å; A58-T422 HydrophobicContact CB-CG2 4.43Å; A58-L468 HydrophobicContact CB-CD1 4Å
59	A	97.9	Very high	92.7	Very high	58 Å²	58	53.3 Å²	53.3	48%	0.479	34%	0.336	S	S	.	.	H	α-helix	trans	-63.3	-38.4	177	0	0	0	0	0	112.9	G55 L57 W61 D62 A63	G55-A59 WeakPolarHBondContact O-CB 3.43Å; G55-A59 PolarHBondContact O-N 3.02Å; G55-A59 VanDerWaalsContact O-N 3.07Å; L57-A59 VanDerWaalsContact C-N 3.33Å; L57-A59 PolarHBondContact O-N 2.93Å; A59-W61 VanDerWaalsContact C-N 3.35Å; A59-D62 PolarHBondContact O-N 3.33Å; A59-A63 PolarHBondContact O-N 3.15Å
60	A	98.3	Very high	94.7	Very high	21 Å²	21	57.3 Å²	57.3	17%	0.174	34%	0.335	C	S	.	.	H	α-helix	trans	-66.7	-36.8	175.6	0	0	0	0	0	112	R56 L57 A58 L64 P451	R56-A60 WeakPolarHBondContact O-CB 3.31Å; R56-A60 PolarHBondContact O-N 3.42Å; L57-A60 PolarHBondContact O-N 2.99Å; A58-A60 VanDerWaalsContact C-N 3.35Å; A58-A60 PolarHBondContact O-N 3.34Å; A60-L64 VanDerWaalsContact O-CB 3.28Å; A60-L64 WeakPolarHBondContact O-CB 3.49Å; A60-L64 PolarHBondContact O-N 2.97Å; A60-L64 VanDerWaalsContact O-N 3.09Å; A60-P451 HydrophobicContact CB-CG 3.92Å
61	W	98.5	Very high	96.5	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.7	-44.6	171.2	-80.6	-18.9	0	0	0	112.7	L57 A58 A59 A63 L64 I65 A404 A407 R408 T465 P466 L468	L57-W61 HydrophobicContact CD2-CD2 3.5Å; L57-W61 VanDerWaalsContact CD2-CE2 3.44Å; L57-W61 HydrophobicContact CD2-CE3 3.56Å; L57-W61 HydrophobicContact CD2-CG 4.29Å; L57-W61 HydrophobicContact CD2-CH2 3.56Å; L57-W61 HydrophobicContact CD2-CZ2 3.51Å; L57-W61 HydrophobicContact CD2-CZ3 3.59Å; L57-W61 PolarHBondContact O-N 3.42Å; A58-W61 WeakPolarHBondContact O-CB 3.28Å; A58-W61 PolarHBondContact O-N 3.48Å; A59-W61 VanDerWaalsContact C-N 3.35Å; W61-A63 PolarHBondContact O-N 2.75Å; W61-L64 PolarHBondContact O-N 2.85Å; W61-I65 HydrophobicContact CB-CD1 3.84Å; W61-I65 HydrophobicContact CG-CD1 4.3Å; W61-I65 WeakPolarHBondContact O-CB 3.24Å; W61-I65 VanDerWaalsContact O-CG1 3.26Å; W61-I65 WeakPolarHBondContact O-CG1 3.34Å; W61-I65 PolarHBondContact O-N 2.87Å; W61-A404 HydrophobicContact CG-CB 4.27Å; W61-A407 HydrophobicContact CH2-CB 3.7Å; W61-A407 HydrophobicContact CZ2-CB 3.5Å; W61-R408 HydrophobicContact CE3-CB 4.06Å; W61-R408 HydrophobicContact CE3-CG 4.33Å; W61-R408 HydrophobicContact CZ3-CB 4.23Å; W61-T465 HydrophobicContact CZ2-CG2 4.34Å; W61-T465 WeakPolarHBondContact CZ2-OG1 3.39Å; W61-T465 PolarHBondContact NE1-OG1 3.35Å; W61-T465 VanDerWaalsContact NE1-OG1 3.1Å; W61-P466 WeakPolarHBondContact CH2-O 3.42Å; W61-P466 WeakPolarHBondContact CZ2-O 3.48Å; W61-L468 HydrophobicContact CE3-CD1 4.2Å; W61-L468 HydrophobicContact CH2-CB 4.49Å; W61-L468 HydrophobicContact CH2-CG 4.02Å; W61-L468 HydrophobicContact CZ3-CB 4.19Å; W61-L468 HydrophobicContact CZ3-CD1 3.71Å; W61-L468 HydrophobicContact CZ3-CG 3.68Å
62	D	97.8	Very high	97.3	Very high	98 Å²	98	54.4 Å²	54.4	52%	0.524	30%	0.298	S	S	.	.	H	α-helix	trans	-61.8	-31.1	179.8	-70.7	-22.4	0	0	0	112.5	A58 A59 R408	A58-D62 PolarHBondContact O-N 3.02Å; A59-D62 PolarHBondContact O-N 3.33Å; D62-R408 IonicContact OD1-NH1 3.65Å; D62-R408 PolarHBondContact OD1-NH1 3.27Å
63	A	97.9	Very high	97.5	Very high	85 Å²	85	60.9 Å²	60.9	70%	0.702	32%	0.315	S	S	*	.	H	α-helix	trans	-77.7	-30.7	173.1	0	0	0	0	0	113.6	A59 W61	A59-A63 PolarHBondContact O-N 3.15Å; W61-A63 PolarHBondContact O-N 2.75Å
64	L	98.3	Very high	97.6	Very high	61 Å²	61	61.8 Å²	61.8	32%	0.319	31%	0.312	S	S	.	.	H	α-helix	trans	-86.8	-36.9	-175	-179.4	67.4	0	0	0	113.1	A60 W61 V66 A404 V452	A60-L64 VanDerWaalsContact O-CB 3.28Å; A60-L64 WeakPolarHBondContact O-CB 3.49Å; A60-L64 PolarHBondContact O-N 2.97Å; A60-L64 VanDerWaalsContact O-N 3.09Å; W61-L64 PolarHBondContact O-N 2.85Å; L64-V66 PolarHBondContact O-N 3.05Å; L64-V66 VanDerWaalsContact O-N 3.12Å; L64-A404 HydrophobicContact CD2-CB 4.32Å; L64-V452 HydrophobicContact CD2-CB 3.94Å; L64-V452 HydrophobicContact CD2-CG2 3.29Å
65	I	98.7	Very high	97.7	Very high	17 Å²	17	60.2 Å²	60.2	9%	0.087	30%	0.304	C	S	.	.			trans	-76.4	105	-171.1	-65.4	165.4	0	0	0	109.6	W61 A404 A405 R408 Y490	W61-I65 HydrophobicContact CB-CD1 3.84Å; W61-I65 HydrophobicContact CG-CD1 4.3Å; W61-I65 WeakPolarHBondContact O-CB 3.24Å; W61-I65 VanDerWaalsContact O-CG1 3.26Å; W61-I65 WeakPolarHBondContact O-CG1 3.34Å; W61-I65 PolarHBondContact O-N 2.87Å; I65-A404 HydrophobicContact CD1-CB 3.95Å; I65-A404 HydrophobicContact CG1-CB 3.69Å; I65-A405 HydrophobicContact CD1-CB 4.42Å; I65-A405 HydrophobicContact CG2-CB 4.03Å; I65-R408 HydrophobicContact CD1-CB 4.2Å; I65-Y490 HydrophobicContact CG2-CD1 3.95Å; I65-Y490 HydrophobicContact CG2-CE1 3.37Å
66	V	98.1	Very high	97.7	Very high	85 Å²	85	59.7 Å²	59.7	52%	0.515	30%	0.299	S	S	.	.			trans	-128.5	146.1	174	-65.1	0	0	0	0	109.9	L64 N398 Y490	L64-V66 PolarHBondContact O-N 3.05Å; L64-V66 VanDerWaalsContact O-N 3.12Å; V66-N398 PolarHBondContact O-ND2 3.08Å; V66-Y490 WeakPolarHBondContact O-CD1 3.31Å
67	R	97.6	Very high	97.8	Very high	51 Å²	51	55.8 Å²	55.8	19%	0.192	29%	0.285	C	S	.	.			trans	-63.5	149	175.2	-70.9	-72.3	-68.1	-76.9	-1.5	110.3	D172 F489 Y490	R67-D172 IonicContact CZ-OD2 3.55Å; R67-D172 IonicContact NH1-OD1 3.59Å; R67-D172 IonicContact NH1-OD2 3.71Å; R67-D172 PolarHBondContact NH1-OD2 3.46Å; R67-D172 IonicContact NH2-OD1 3.82Å; R67-D172 IonicContact NH2-OD2 2.68Å; R67-D172 PolarHBondContact NH2-OD2 2.81Å; R67-D172 VanDerWaalsContact NH2-OD2 3.11Å; R67-F489 VanDerWaalsContact CZ-CE2 3.44Å; R67-F489 VanDerWaalsContact NH1-CE1 3.31Å; R67-Y490 HydrophobicContact CG-CE1 4.11Å
68	P	97.4	Very high	97.8	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.019	28%	0.284	C	S	.	.			trans	-63.6	163.6	176.8	25.8	-33.6	0	0	0	112.1	R70 R71 N398 E492	P68-R70 WeakPolarHBondContact CG-O 3.48Å; P68-R71 HydrophobicContact CG-CG 4.43Å; P68-N398 HydrophobicContact CB-CB 4.18Å; P68-E492 HydrophobicContact CB-CB 3.71Å
69	V	95.4	Very high	97.6	Very high	137 Å²	137	55.4 Å²	55.4	83%	0.83	28%	0.282	S	S	*	.	S	Bend	trans	-68.2	-46.7	179.2	177.7	0	0	0	0	109.5	E492	V69-E492 PolarHBondContact N-OE2 2.91Å; V69-E492 VanDerWaalsContact N-OE2 3.12Å
70	R	94.9	Very high	97.6	Very high	133 Å²	133	52.9 Å²	52.9	50%	0.502	26%	0.26	S	S	.	.	S	Bend	trans	-99.7	123.6	172.5	-58.7	175	67.4	-148.2	2	108.9	P68 E492	P68-R70 WeakPolarHBondContact CG-O 3.48Å; R70-E492 HydrophobicContact CB-CG 4.06Å; R70-E492 VanDerWaalsContact CD-OE1 3.3Å; R70-E492 WeakPolarHBondContact CD-OE1 3.32Å; R70-E492 WeakPolarHBondContact CG-OE1 3.24Å; R70-E492 PolarHBondContact N-OE2 2.93Å
71	R	96.4	Very high	97.6	Very high	135 Å²	135	51.9 Å²	51.9	51%	0.509	25%	0.252	S	S	.	.			trans	-111.4	146.3	-175.5	-57.8	175.5	-172.2	-176.5	4	110.5	P68 D172	P68-R71 HydrophobicContact CG-CG 4.43Å; R71-D172 IonicContact NH1-OD2 3.28Å
72	W	97.7	Very high	97.5	Very high	24 Å²	24	52 Å²	52	9%	0.091	25%	0.253	C	S	.	.			trans	-61.2	139	165.1	-39.3	119.3	0	0	0	109.7	L173 D256 L257 P293 L488 S491 V493	W72-L173 HydrophobicContact CB-CD1 3.87Å; W72-D256 HydrophobicContact CE3-CB 3.95Å; W72-L257 HydrophobicContact CD2-CB 4.4Å; W72-L257 HydrophobicContact CE3-CB 4.43Å; W72-P293 HydrophobicContact CH2-CG 4.09Å; W72-P293 HydrophobicContact CZ3-CG 4.18Å; W72-L488 PolarHBondContact NE1-O 3.25Å; W72-S491 VanDerWaalsContact CZ2-O 3.28Å; W72-S491 WeakPolarHBondContact CZ2-O 3.46Å; W72-S491 PolarHBondContact NE1-O 2.83Å; W72-V493 HydrophobicContact CH2-CB 3.91Å; W72-V493 HydrophobicContact CH2-CG2 3.69Å; W72-V493 HydrophobicContact CZ2-CG2 4.33Å
73	R	97.9	Very high	97.5	Very high	179 Å²	179	47.3 Å²	47.3	68%	0.675	23%	0.228	S	C	*	.	S	Bend	trans	-107.7	-33	171.5	-57.3	-177.8	176.6	-146.1	-0.6	111.2	K174 D256	R73-K174 PolarHBondContact O-N 3.04Å; R73-D256 VanDerWaalsContact CA-OD2 3.31Å; R73-D256 WeakPolarHBondContact CA-OD2 3.41Å; R73-D256 VanDerWaalsContact CB-OD2 3.28Å; R73-D256 WeakPolarHBondContact CB-OD2 3.29Å; R73-D256 PolarHBondContact N-OD2 3.36Å
74	R	98.5	Very high	97.4	Very high	74 Å²	74	43.9 Å²	43.9	28%	0.279	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	128	-178.7	-66.9	178.7	-54.8	-60.7	-19.2	110.2	K174 F253 Q254 D256 L257	R74-K174 CarbonylContact C-O 3.55Å; R74-K174 WeakPolarHBondContact CA-O 3.13Å; R74-K174 HydrophobicContact CG-CB 4.17Å; R74-F253 HydrophobicContact CB-CD1 4.46Å; R74-F253 HydrophobicContact CB-CE1 3.72Å; R74-F253 HydrophobicContact CB-CZ 3.85Å; R74-F253 VanDerWaalsContact CD-O 3.28Å; R74-F253 WeakPolarHBondContact CD-O 3.33Å; R74-F253 HydrophobicContact CG-CE1 4.45Å; R74-F253 HydrophobicContact CG-CZ 4.17Å; R74-F253 PolarHBondContact NE-O 2.83Å; R74-Q254 PolarHBondContact NE-O 2.85Å; R74-Q254 PolarHBondContact NH2-O 3.3Å; R74-D256 IonicContact CZ-OD1 3.18Å; R74-D256 PolarHBondContact N-OD2 3.44Å; R74-D256 IonicContact NH2-OD1 2.76Å; R74-D256 PolarHBondContact NH2-OD1 3.05Å; R74-D256 IonicContact NH2-OD2 3.54Å; R74-D256 PolarHBondContact O-N 3.23Å; R74-L257 PolarHBondContact O-N 3.4Å
75	V	98.7	Very high	97.3	Very high	1 Å²	1	41 Å²	41	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134	172.9	62.6	0	0	0	0	109.7	V77 F167 L173 K174 V175 L176 F253 L257 V259	V75-V77 HydrophobicContact CG2-CG2 3.97Å; V75-F167 HydrophobicContact CG1-CB 4.06Å; V75-F167 HydrophobicContact CG1-CD2 3.95Å; V75-F167 HydrophobicContact CG1-CG 3.98Å; V75-F167 HydrophobicContact CG2-CD2 4.11Å; V75-F167 HydrophobicContact CG2-CE2 3.89Å; V75-F167 HydrophobicContact CG2-CZ 4.37Å; V75-L173 HydrophobicContact CB-CD1 4.33Å; V75-L173 HydrophobicContact CG1-CD1 4.06Å; V75-L173 HydrophobicContact CG1-CD2 3.91Å; V75-L173 HydrophobicContact CG1-CG 3.99Å; V75-K174 PolarHBondContact N-O 2.85Å; V75-V175 HydrophobicContact CG1-CB 4.26Å; V75-V175 HydrophobicContact CG1-CG1 4.24Å; V75-V175 HydrophobicContact CG1-CG2 3.79Å; V75-V175 WeakPolarHBondContact O-CA 3.3Å; V75-L176 PolarHBondContact O-N 2.93Å; V75-F253 WeakPolarHBondContact O-CE1 3.09Å; V75-L257 WeakPolarHBondContact CA-O 3.38Å; V75-L257 HydrophobicContact CB-CB 4.49Å; V75-L257 HydrophobicContact CG2-CB 4.08Å; V75-L257 HydrophobicContact CG2-CD2 3.86Å; V75-L257 HydrophobicContact CG2-CG 3.91Å; V75-L257 WeakPolarHBondContact CG2-O 3.41Å; V75-V259 HydrophobicContact CG2-CG2 4.15Å
76	A	98.6	Very high	97.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130.8	173.7	0	0	0	0	0	109.3	L176 F246 L250 F253 P255 L257 V258 V259	A76-L176 CarbonylContact C-O 3.58Å; A76-L176 WeakPolarHBondContact CA-O 3.12Å; A76-L176 HydrophobicContact CB-CB 4.39Å; A76-L176 HydrophobicContact CB-CD2 4.15Å; A76-F246 HydrophobicContact CB-CE2 3.89Å; A76-F246 HydrophobicContact CB-CZ 4.15Å; A76-L250 HydrophobicContact CB-CD2 3.53Å; A76-F253 HydrophobicContact CB-CD1 4.1Å; A76-F253 HydrophobicContact CB-CE1 4.24Å; A76-P255 HydrophobicContact CB-CB 3.84Å; A76-P255 HydrophobicContact CB-CG 4.08Å; A76-L257 PolarHBondContact N-O 2.92Å; A76-V258 CarbonylContact O-C 3.44Å; A76-V258 WeakPolarHBondContact O-CA 3.24Å; A76-V259 PolarHBondContact O-N 2.9Å
77	V	98.8	Very high	97	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.6	-174.2	-168.1	0	0	0	0	110.4	V75 A160 I163 F167 V175 L176 L177 C178 F246 V259	V75-V77 HydrophobicContact CG2-CG2 3.97Å; V77-A160 HydrophobicContact CG1-CB 3.98Å; V77-A160 WeakPolarHBondContact CG1-O 3.25Å; V77-I163 HydrophobicContact CG1-CB 4.01Å; V77-I163 HydrophobicContact CG1-CG2 3.79Å; V77-I163 HydrophobicContact CG2-CG2 4.19Å; V77-F167 HydrophobicContact CG2-CD2 4.16Å; V77-F167 HydrophobicContact CG2-CE2 4.4Å; V77-V175 HydrophobicContact CG2-CG1 4.43Å; V77-L176 PolarHBondContact N-O 3.46Å; V77-L177 HydrophobicContact CB-CD1 4.37Å; V77-L177 WeakPolarHBondContact O-CA 3.45Å; V77-C178 PolarHBondContact O-N 2.81Å; V77-F246 VanDerWaalsContact C-CE2 3.43Å; V77-F246 WeakPolarHBondContact O-CE2 3.29Å; V77-V259 CarbonylContact C-O 3.52Å; V77-V259 WeakPolarHBondContact CA-O 3.5Å; V77-V259 HydrophobicContact CG1-CB 4.11Å; V77-V259 HydrophobicContact CG1-CG1 4.37Å; V77-V259 HydrophobicContact CG2-CB 4.26Å
78	G	97.5	Very high	96.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	171.1	177.4	0	0	0	0	0	113.6	A160 C178 V259 L260 S261	G78-A160 WeakPolarHBondContact O-CB 3.05Å; G78-C178 WeakPolarHBondContact CA-O 3.42Å; G78-V259 PolarHBondContact N-O 3.39Å; G78-L260 CarbonylContact O-C 3.48Å; G78-L260 WeakPolarHBondContact O-CA 3.26Å; G78-S261 PolarHBondContact O-N 3.1Å
79	V	95.8	Very high	96.8	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.012	16%	0.16	C	C	.	.	S	Bend	cis	-124	0.8	-4.5	-58.8	0	0	0	0	114.6	C178 G179 M240 M242 F246 S261	V79-C178 WeakPolarHBondContact CA-O 3.43Å; V79-G179 WeakPolarHBondContact O-CA 3.35Å; V79-M240 HydrophobicContact CG2-CB 4.15Å; V79-M240 HydrophobicContact CG2-CE 3.68Å; V79-M240 HydrophobicContact CG2-CG 4.47Å; V79-M242 HydrophobicContact CB-CB 4.31Å; V79-F246 HydrophobicContact CG1-CB 3.55Å; V79-F246 HydrophobicContact CG1-CD1 3.88Å; V79-F246 HydrophobicContact CG1-CG 3.77Å; V79-S261 PolarHBondContact N-O 3.12Å
80	N	97	Very high	96.8	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.027	12%	0.122	C	C	.	.			trans	-83.7	125.8	179.6	68.9	-41.1	0	0	0	113.3	G158 N159 A160 A161 N237 G262 M265	N80-G158 CarbonylContact O-C 3.56Å; N80-N159 PolarHBondContact ND2-N 2.81Å; N80-N159 VanDerWaalsContact ND2-N 3.17Å; N80-N159 PolarHBondContact ND2-OD1 3.25Å; N80-A160 VanDerWaalsContact O-CB 3.32Å; N80-A160 WeakPolarHBondContact O-CB 3.36Å; N80-A160 PolarHBondContact O-N 2.98Å; N80-A160 PolarHBondContact OD1-N 3.28Å; N80-A160 VanDerWaalsContact OD1-N 3.1Å; N80-A161 PolarHBondContact O-N 2.86Å; N80-N237 WeakPolarHBondContact CA-OD1 3.41Å; N80-N237 HydrophobicContact CB-CB 4.3Å; N80-G262 PolarHBondContact OD1-N 3.12Å; N80-M265 HydrophobicContact CB-CG 4.38Å
81	A	97.9	Very high	96.9	Very high	0 Å²	0	29 Å²	29	0%	0	12%	0.122	C	C	.	.			trans	-148.2	138.4	-177.3	0	0	0	0	0	110.1	A161 P180 V181 L185 N237	A81-A161 HydrophobicContact CB-CB 3.83Å; A81-P180 VanDerWaalsContact O-CG 3.3Å; A81-P180 WeakPolarHBondContact O-CG 3.24Å; A81-V181 HydrophobicContact CB-CG2 4.49Å; A81-L185 HydrophobicContact CB-CD2 3.76Å; A81-N237 PolarHBondContact N-OD1 2.89Å; A81-N237 VanDerWaalsContact N-OD1 3.1Å; A81-N237 PolarHBondContact O-ND2 3.45Å
82	C	97.1	Very high	96.9	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.014	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	174.7	178.4	60.5	0	0	0	0	110.9	G157 G158 L185 E205	C82-G157 PolarHBondContact N-O 3.06Å; C82-G157 CarbonylContact O-C 3.57Å; C82-G157 WeakPolarHBondContact O-CA 3.49Å; C82-G157 PolarHBondContact O-N 3.11Å; C82-G157 VanDerWaalsContact O-O 3.14Å; C82-G158 PolarHBondContact SG-N 2.96Å; C82-G158 VanDerWaalsContact SG-N 3.38Å; C82-L185 WeakPolarHBondContact O-CD1 3.47Å; C82-E205 CarbonylContact C-O 3.59Å; C82-E205 VanDerWaalsContact CA-O 3.32Å; C82-E205 WeakPolarHBondContact CA-O 3.41Å; C82-E205 HydrophobicContact CB-CB 4.11Å; C82-E205 WeakPolarHBondContact CB-O 3.19Å
83	V	97.6	Very high	96.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116	168.8	-177.9	0	0	0	0	109.2	V85 H154 K184 L185 L188 D204 E205 F206 H207	V83-V85 HydrophobicContact CG1-CG2 4.29Å; V83-H154 HydrophobicContact CG1-CB 4.37Å; V83-K184 HydrophobicContact CG1-CG 4.32Å; V83-K184 HydrophobicContact CG2-CB 4.34Å; V83-K184 HydrophobicContact CG2-CG 4.31Å; V83-L185 HydrophobicContact CG2-CB 3.63Å; V83-L185 HydrophobicContact CG2-CD1 4.27Å; V83-L185 HydrophobicContact CG2-CG 4.45Å; V83-L188 HydrophobicContact CG1-CD1 3.78Å; V83-L188 HydrophobicContact CG2-CD1 4.26Å; V83-D204 HydrophobicContact CG2-CB 4.1Å; V83-E205 PolarHBondContact N-O 3.22Å; V83-F206 HydrophobicContact CB-CD1 3.64Å; V83-F206 HydrophobicContact CB-CE1 3.71Å; V83-F206 HydrophobicContact CG1-CD1 3.89Å; V83-F206 HydrophobicContact CG1-CE1 3.7Å; V83-F206 HydrophobicContact CG2-CD1 4.49Å; V83-F206 HydrophobicContact CG2-CE1 4.2Å; V83-F206 WeakPolarHBondContact O-CA 3.49Å; V83-H207 PolarHBondContact O-N 3.4Å
84	D	95.8	Very high	96.7	Very high	13 Å²	13	17.9 Å²	17.9	7%	0.07	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	123.2	170.2	-70.5	-18.4	0	0	0	109	H154 Y155 I209	D84-H154 WeakPolarHBondContact O-CA 3.47Å; D84-Y155 PolarHBondContact N-O 3.42Å; D84-Y155 PolarHBondContact O-N 2.88Å; D84-I209 HydrophobicContact CB-CD1 3.92Å
85	V	96.4	Very high	96.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	107.5	174.6	-172.7	0	0	0	0	108.5	V83 L87 A146 A152 Q153 F206 H207 L208 I209	V83-V85 HydrophobicContact CG1-CG2 4.29Å; V85-L87 HydrophobicContact CG1-CD2 4.41Å; V85-A146 HydrophobicContact CG1-CB 4.29Å; V85-A152 HydrophobicContact CG1-CB 4.19Å; V85-Q153 WeakPolarHBondContact CA-O 3.36Å; V85-F206 HydrophobicContact CG2-CD1 3.51Å; V85-F206 HydrophobicContact CG2-CE1 4.03Å; V85-F206 HydrophobicContact CG2-CG 4.44Å; V85-H207 PolarHBondContact N-O 2.86Å; V85-L208 HydrophobicContact CB-CD2 3.73Å; V85-L208 HydrophobicContact CG1-CD2 4.37Å; V85-L208 HydrophobicContact CG2-CD2 3.92Å; V85-I209 PolarHBondContact O-N 3.2Å
86	V	94.3	Very high	96.4	Very high	15 Å²	15	18.3 Å²	18.3	9%	0.091	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	123.4	-177.7	-175.1	0	0	0	0	109.8	Q153 Y155 I209 E211	V86-Q153 HydrophobicContact CB-CB 4.36Å; V86-Q153 PolarHBondContact N-O 3.31Å; V86-Q153 PolarHBondContact O-N 3.42Å; V86-Y155 HydrophobicContact CB-CD2 4.48Å; V86-Y155 HydrophobicContact CB-CE2 4.16Å; V86-Y155 HydrophobicContact CG2-CD2 3.77Å; V86-Y155 HydrophobicContact CG2-CE2 3.81Å; V86-I209 HydrophobicContact CG2-CB 4.05Å; V86-I209 HydrophobicContact CG2-CD1 4.05Å; V86-I209 HydrophobicContact CG2-CG1 4.49Å; V86-I209 HydrophobicContact CG2-CG2 4.37Å; V86-E211 HydrophobicContact CG1-CG 3.86Å
87	L	95.3	Very high	96.3	Very high	10 Å²	10	21.3 Å²	21.3	5%	0.052	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	166.1	179.7	72.8	179	0	0	0	111.9	V85 G89 L92 A146 F149 A152 I209 L210 E211	V85-L87 HydrophobicContact CG1-CD2 4.41Å; L87-G89 PolarHBondContact O-N 3.28Å; L87-L92 HydrophobicContact CD1-CB 3.92Å; L87-L92 HydrophobicContact CD1-CD1 4.12Å; L87-L92 HydrophobicContact CD1-CD2 4.17Å; L87-L92 HydrophobicContact CD1-CG 4.28Å; L87-L92 HydrophobicContact CD2-CD2 4.34Å; L87-L92 HydrophobicContact CG-CB 4.29Å; L87-A146 HydrophobicContact CD1-CB 3.76Å; L87-A146 HydrophobicContact CD2-CB 4.42Å; L87-F149 HydrophobicContact CD1-CB 4.2Å; L87-F149 HydrophobicContact CD1-CG 4.46Å; L87-A152 HydrophobicContact CB-CB 4.25Å; L87-I209 PolarHBondContact N-O 3.32Å; L87-I209 VanDerWaalsContact N-O 3.12Å; L87-L210 HydrophobicContact CD2-CD1 4.08Å; L87-L210 WeakPolarHBondContact O-CA 3.15Å; L87-E211 PolarHBondContact O-N 3.02Å
88	S	96.1	Very high	96.1	Very high	28 Å²	28	22.9 Å²	22.9	20%	0.196	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	123.7	172.8	161.9	0	0	0	0	110.1	V90 K91 L92 E211 E216	S88-V90 PolarHBondContact O-N 3.19Å; S88-K91 PolarHBondContact O-N 2.71Å; S88-K91 PolarHBondContact OG-N 3.08Å; S88-L92 PolarHBondContact O-N 3.22Å; S88-E211 WeakPolarHBondContact CA-O 3.34Å; S88-E216 PolarHBondContact OG-OE1 3.48Å
89	G	95.1	Very high	95.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.7	-42	179.2	0	0	0	0	0	113.2	L87 K91 L92 L93 E211	L87-G89 PolarHBondContact O-N 3.28Å; G89-K91 VanDerWaalsContact C-N 3.33Å; G89-K91 PolarHBondContact O-N 2.79Å; G89-L92 PolarHBondContact O-N 2.95Å; G89-L93 WeakPolarHBondContact O-CG 3.43Å; G89-L93 PolarHBondContact O-N 3Å; G89-E211 PolarHBondContact N-O 3.33Å
90	V	95.8	Very high	95.5	Very high	6 Å²	6	30 Å²	30	4%	0.036	19%	0.187	C	C	.	.	H	α-helix	trans	-59.1	-45.8	176.3	175.2	0	0	0	0	110.8	S88 L93 Q94 F119 M123 E216 W218	S88-V90 PolarHBondContact O-N 3.19Å; V90-L93 PolarHBondContact O-N 2.78Å; V90-Q94 WeakPolarHBondContact O-CB 3.36Å; V90-Q94 VanDerWaalsContact O-CG 3.24Å; V90-Q94 WeakPolarHBondContact O-CG 3.21Å; V90-Q94 PolarHBondContact O-N 3.34Å; V90-F119 HydrophobicContact CG2-CE1 4.08Å; V90-F119 HydrophobicContact CG2-CZ 4.39Å; V90-M123 HydrophobicContact CG2-CE 3.83Å; V90-M123 HydrophobicContact CG2-SD 3.8Å; V90-E216 HydrophobicContact CG2-CG 4.29Å; V90-E216 WeakPolarHBondContact CG2-OE1 3.35Å; V90-W218 HydrophobicContact CG1-CB 3.84Å; V90-W218 HydrophobicContact CG1-CD2 4.24Å; V90-W218 HydrophobicContact CG1-CG 3.68Å; V90-W218 HydrophobicContact CG2-CB 3.88Å; V90-W218 HydrophobicContact CG2-CG 4.31Å
91	K	96.4	Very high	95.1	Very high	115 Å²	115	31.8 Å²	31.8	50%	0.5	21%	0.206	S	C	.	.	H	α-helix	trans	-65.9	-38.9	179.8	-69.3	-176.3	-174	176.1	0	112.6	S88 G89 Q94 A95 F149	S88-K91 PolarHBondContact O-N 2.71Å; S88-K91 PolarHBondContact OG-N 3.08Å; G89-K91 VanDerWaalsContact C-N 3.33Å; G89-K91 PolarHBondContact O-N 2.79Å; K91-Q94 PolarHBondContact O-N 3.35Å; K91-A95 WeakPolarHBondContact O-CB 3.45Å; K91-A95 PolarHBondContact O-N 3.18Å; K91-F149 HydrophobicContact CB-CE1 4.12Å; K91-F149 HydrophobicContact CB-CZ 3.79Å; K91-F149 HydrophobicContact CD-CE1 4.22Å; K91-F149 HydrophobicContact CD-CZ 4.28Å
92	L	96.7	Very high	94.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.4	-49.5	175.2	176.9	59	0	0	0	111.1	L87 S88 G89 Q94 A95 L96 I142 V145 A146 L210	L87-L92 HydrophobicContact CD1-CB 3.92Å; L87-L92 HydrophobicContact CD1-CD1 4.12Å; L87-L92 HydrophobicContact CD1-CD2 4.17Å; L87-L92 HydrophobicContact CD1-CG 4.28Å; L87-L92 HydrophobicContact CD2-CD2 4.34Å; L87-L92 HydrophobicContact CG-CB 4.29Å; S88-L92 PolarHBondContact O-N 3.22Å; G89-L92 PolarHBondContact O-N 2.95Å; L92-Q94 VanDerWaalsContact C-N 3.28Å; L92-Q94 PolarHBondContact O-N 3.09Å; L92-A95 WeakPolarHBondContact O-CB 3.33Å; L92-A95 PolarHBondContact O-N 2.79Å; L92-L96 HydrophobicContact CD1-CD1 4.27Å; L92-L96 HydrophobicContact CD1-CG 4.21Å; L92-L96 HydrophobicContact CG-CD1 4.15Å; L92-L96 WeakPolarHBondContact O-CG 3.2Å; L92-L96 PolarHBondContact O-N 3.02Å; L92-I142 HydrophobicContact CD2-CG2 4.44Å; L92-V145 HydrophobicContact CD1-CG1 4.08Å; L92-A146 HydrophobicContact CD1-CB 3.85Å; L92-A146 HydrophobicContact CD2-CB 4.04Å; L92-L210 HydrophobicContact CD2-CD1 3.78Å; L92-L210 HydrophobicContact CD2-CD2 4.05Å; L92-L210 HydrophobicContact CD2-CG 3.97Å
93	L	96.3	Very high	94.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.4	-37.4	-179.3	-63.3	175.2	0	0	0	111.7	G89 V90 L96 G97 L98 L115 F119 W218	G89-L93 WeakPolarHBondContact O-CG 3.43Å; G89-L93 PolarHBondContact O-N 3Å; V90-L93 PolarHBondContact O-N 2.78Å; L93-L96 HydrophobicContact CD2-CD1 4.46Å; L93-L96 PolarHBondContact O-N 3.41Å; L93-G97 PolarHBondContact O-N 3.41Å; L93-L98 HydrophobicContact CB-CB 4.48Å; L93-L98 HydrophobicContact CB-CD1 4.42Å; L93-L98 HydrophobicContact CD2-CD1 3.75Å; L93-L98 WeakPolarHBondContact O-CB 3.35Å; L93-L98 PolarHBondContact O-N 2.83Å; L93-L115 HydrophobicContact CD2-CD2 4.08Å; L93-L115 HydrophobicContact CD2-CG 4.02Å; L93-F119 HydrophobicContact CD1-CB 3.93Å; L93-F119 HydrophobicContact CD1-CD1 3.28Å; L93-F119 HydrophobicContact CD1-CE1 3.93Å; L93-F119 HydrophobicContact CD1-CG 3.69Å; L93-W218 HydrophobicContact CB-CH2 3.53Å; L93-W218 HydrophobicContact CB-CZ2 3.92Å; L93-W218 HydrophobicContact CB-CZ3 4.15Å; L93-W218 HydrophobicContact CD1-CE3 4.24Å; L93-W218 HydrophobicContact CD1-CH2 3.53Å; L93-W218 HydrophobicContact CD1-CZ3 3.31Å; L93-W218 HydrophobicContact CG-CH2 4.15Å; L93-W218 HydrophobicContact CG-CZ3 4.37Å
94	Q	95.4	Very high	94.5	Very high	105 Å²	105	46 Å²	46	49%	0.491	29%	0.286	S	S	.	.	H	α-helix	trans	-63	-42.4	171.2	-72.1	171.2	-7.8	0	0	112.6	V90 K91 L92 L96 G97	V90-Q94 WeakPolarHBondContact O-CB 3.36Å; V90-Q94 VanDerWaalsContact O-CG 3.24Å; V90-Q94 WeakPolarHBondContact O-CG 3.21Å; V90-Q94 PolarHBondContact O-N 3.34Å; K91-Q94 PolarHBondContact O-N 3.35Å; L92-Q94 VanDerWaalsContact C-N 3.28Å; L92-Q94 PolarHBondContact O-N 3.09Å; Q94-L96 VanDerWaalsContact C-N 3.26Å; Q94-L96 PolarHBondContact O-N 3.47Å; Q94-G97 WeakPolarHBondContact O-CA 3.44Å; Q94-G97 PolarHBondContact O-N 3Å
95	A	95.6	Very high	94.4	Very high	52 Å²	52	48.6 Å²	48.6	43%	0.43	30%	0.299	S	S	.	.	H	α-helix	trans	-65	-30.9	177.4	0	0	0	0	0	112.6	K91 L92 G97 V145 F149	K91-A95 WeakPolarHBondContact O-CB 3.45Å; K91-A95 PolarHBondContact O-N 3.18Å; L92-A95 WeakPolarHBondContact O-CB 3.33Å; L92-A95 PolarHBondContact O-N 2.79Å; A95-G97 PolarHBondContact O-N 3.45Å; A95-V145 HydrophobicContact CB-CG1 4.34Å; A95-F149 HydrophobicContact CB-CD2 4.05Å; A95-F149 HydrophobicContact CB-CE2 3.84Å
96	L	95.5	Very high	94.1	Very high	32 Å²	32	50 Å²	50	17%	0.168	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-0.4	171.6	-64	172.5	0	0	0	113.3	L92 L93 Q94 L98 I142 V145	L92-L96 HydrophobicContact CD1-CD1 4.27Å; L92-L96 HydrophobicContact CD1-CG 4.21Å; L92-L96 HydrophobicContact CG-CD1 4.15Å; L92-L96 WeakPolarHBondContact O-CG 3.2Å; L92-L96 PolarHBondContact O-N 3.02Å; L93-L96 HydrophobicContact CD2-CD1 4.46Å; L93-L96 PolarHBondContact O-N 3.41Å; Q94-L96 VanDerWaalsContact C-N 3.26Å; Q94-L96 PolarHBondContact O-N 3.47Å; L96-L98 HydrophobicContact CB-CD1 4.15Å; L96-L98 HydrophobicContact CB-CG 4.16Å; L96-L98 HydrophobicContact CD1-CD1 4.4Å; L96-I142 HydrophobicContact CD1-CG1 4.14Å; L96-I142 HydrophobicContact CD1-CG2 4.01Å; L96-I142 HydrophobicContact CD2-CG1 4.13Å; L96-V145 HydrophobicContact CD2-CB 4.09Å; L96-V145 HydrophobicContact CD2-CG1 3.92Å; L96-V145 HydrophobicContact CD2-CG2 4.24Å
97	G	95.4	Very high	93.5	Very high	63 Å²	63	54.4 Å²	54.4	65%	0.649	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	18.7	179.9	0	0	0	0	0	114.3	L93 Q94 A95	L93-G97 PolarHBondContact O-N 3.41Å; Q94-G97 WeakPolarHBondContact O-CA 3.44Å; Q94-G97 PolarHBondContact O-N 3Å; A95-G97 PolarHBondContact O-N 3.45Å
98	L	94.7	Very high	93.1	Very high	33 Å²	33	56 Å²	56	17%	0.173	35%	0.348	C	S	.	.			trans	-86	140.9	-179.3	-56.7	170.2	0	0	0	110.7	L93 L96 R112 E116	L93-L98 HydrophobicContact CB-CB 4.48Å; L93-L98 HydrophobicContact CB-CD1 4.42Å; L93-L98 HydrophobicContact CD2-CD1 3.75Å; L93-L98 WeakPolarHBondContact O-CB 3.35Å; L93-L98 PolarHBondContact O-N 2.83Å; L96-L98 HydrophobicContact CB-CD1 4.15Å; L96-L98 HydrophobicContact CB-CG 4.16Å; L96-L98 HydrophobicContact CD1-CD1 4.4Å; L98-R112 HydrophobicContact CD1-CB 4.28Å; L98-R112 HydrophobicContact CD2-CB 4.28Å; L98-E116 HydrophobicContact CB-CG 4.41Å; L98-E116 HydrophobicContact CD1-CB 4.23Å; L98-E116 HydrophobicContact CD1-CG 4.49Å
99	S	91.4	Very high	92.9	Very high	91 Å²	91	54.7 Å²	54.7	64%	0.636	34%	0.338	S	S	*	.			trans	-106.4	145.1	176	-65.8	0	0	0	0	109	G101	S99-G101 PolarHBondContact O-N 2.91Å; S99-G101 VanDerWaalsContact O-N 3.08Å
100	P	89.6	Confident	92.9	Very high	61 Å²	61	60.1 Å²	60.1	40%	0.396	36%	0.363	S	S	.	.			trans	-63.6	113.8	-174.8	25.1	-32.8	0	0	0	111.6	W218	P100-W218 HydrophobicContact CB-CD2 3.91Å; P100-W218 HydrophobicContact CB-CE3 4.34Å; P100-W218 HydrophobicContact CB-CG 4.2Å; P100-W218 HydrophobicContact CB-CZ2 4.29Å
101	G	88.9	Confident	92.9	Very high	41 Å²	41	61.8 Å²	61.8	42%	0.423	38%	0.375	S	S	.	.			trans	-98.4	-148.6	174.9	0	0	0	0	0	113.3	S99 E116	S99-G101 PolarHBondContact O-N 2.91Å; S99-G101 VanDerWaalsContact O-N 3.08Å; G101-E116 VanDerWaalsContact CA-OE1 3.29Å; G101-E116 WeakPolarHBondContact CA-OE1 3.24Å; G101-E116 PolarHBondContact N-OE1 2.81Å
102	N	89.9	Confident	93	Very high	142 Å²	142	60.8 Å²	60.8	76%	0.759	37%	0.368	S	S	*	.			trans	-97.8	130.3	-179.3	-71.3	-41.1	0	0	0	111	K104 E117	N102-K104 PolarHBondContact O-N 2.8Å; N102-E117 WeakPolarHBondContact O-CG 3.21Å
103	G	92.9	Very high	93	Very high	39 Å²	39	64.5 Å²	64.5	40%	0.402	39%	0.388	S	S	.	.			trans	-68.1	124.6	178.1	0	0	0	0	0	113	E117	G103-E117 WeakPolarHBondContact CA-O 3.29Å
104	K	96.3	Very high	93	Very high	121 Å²	121	65.5 Å²	65.5	53%	0.526	39%	0.393	S	S	.	.			trans	-144.4	132.6	175.5	-179.7	-176.5	169.6	-162.2	0	109.7	N102 H106 E117 A118	N102-K104 PolarHBondContact O-N 2.8Å; K104-H106 PolarHBondContact O-CD2 2.93Å; K104-H106 VanDerWaalsContact O-CD2 3.29Å; K104-E117 HydrophobicContact CB-CB 4.15Å; K104-E117 PolarHBondContact N-O 2.96Å; K104-E117 CarbonylContact O-C 3.53Å; K104-E117 VanDerWaalsContact O-O 3.09Å; K104-A118 VanDerWaalsContact O-CA 3.23Å; K104-A118 WeakPolarHBondContact O-CA 3.33Å; K104-A118 PolarHBondContact O-N 2.94Å; K104-A118 VanDerWaalsContact O-N 3.12Å
105	D	94.1	Very high	93.1	Very high	67 Å²	67	60.5 Å²	60.5	36%	0.358	37%	0.37	S	S	.	.			trans	-73.2	143.2	175.2	-166.4	9.8	0	0	0	110.8	F122 R131	D105-F122 VanDerWaalsContact OD1-CE2 3.28Å; D105-F122 WeakPolarHBondContact OD1-CE2 3.11Å; D105-R131 IonicContact OD1-CZ 2.71Å; D105-R131 IonicContact OD1-NE 3.61Å; D105-R131 PolarHBondContact OD1-NE 3.27Å; D105-R131 IonicContact OD1-NH2 3.44Å; D105-R131 PolarHBondContact OD1-NH2 2.84Å; D105-R131 IonicContact OD2-NH2 3.98Å; D105-R131 PolarHBondContact OD2-NH2 3.3Å
106	H	90.4	Very high	93.2	Very high	29 Å²	29	58.6 Å²	58.6	13%	0.134	35%	0.352	C	S	.	.			trans	-132.3	130.1	174.6	-68.5	-90	0	0	0	108.1	K104 V108 L109 D114 E117 R131	K104-H106 PolarHBondContact O-CD2 2.93Å; K104-H106 VanDerWaalsContact O-CD2 3.29Å; H106-V108 VanDerWaalsContact C-N 3.32Å; H106-L109 HydrophobicContact CB-CD2 4Å; H106-D114 HydrophobicContact CB-CB 4.49Å; H106-D114 IonicContact CE1-OD1 3.1Å; H106-D114 PolarHBondContact CE1-OD1 3.41Å; H106-D114 IonicContact ND1-OD1 3.22Å; H106-D114 IonicContact NE2-OD1 2.63Å; H106-E117 IonicContact CD2-OE2 3.25Å; H106-E117 IonicContact CE1-OE2 3.86Å; H106-E117 PolarHBondContact CE1-OE2 3.08Å; H106-E117 IonicContact NE2-OE2 3.78Å; H106-E117 PolarHBondContact NE2-OE2 2.96Å; H106-R131 WeakPolarHBondContact O-CD 3.35Å; H106-R131 PolarHBondContact O-NE 3.38Å
107	S	82.5	Confident	93.3	Very high	108 Å²	108	58.8 Å²	58.8	76%	0.755	35%	0.352	S	S	*	.	S	Bend	trans	-70.2	-31.5	178	51.4	0	0	0	0	112.5	R131	S107-R131 WeakPolarHBondContact O-CD 3.28Å
108	V	86	Confident	93.3	Very high	44 Å²	44	55.8 Å²	55.8	27%	0.267	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	137.6	174.8	178.9	0	0	0	0	107.7	H106 F132	H106-V108 VanDerWaalsContact C-N 3.32Å; V108-F132 HydrophobicContact CG1-CD1 4.01Å
109	L	92.6	Very high	93.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122	176.9	-48	178.2	0	0	0	108.5	H106 D114 L115 A118 R131 F132 F133 S134 F229 F231	H106-L109 HydrophobicContact CB-CD2 4Å; L109-D114 HydrophobicContact CB-CB 4.37Å; L109-D114 HydrophobicContact CD2-CB 4.14Å; L109-L115 HydrophobicContact CD1-CB 4.23Å; L109-L115 HydrophobicContact CD1-CD1 3.91Å; L109-A118 HydrophobicContact CD2-CB 3.8Å; L109-R131 HydrophobicContact CD1-CB 3.85Å; L109-R131 HydrophobicContact CD2-CB 4.31Å; L109-R131 HydrophobicContact CD2-CG 4.33Å; L109-R131 HydrophobicContact CG-CB 3.81Å; L109-R131 HydrophobicContact CG-CG 4.38Å; L109-F132 PolarHBondContact N-O 2.89Å; L109-F133 HydrophobicContact CB-CB 4.36Å; L109-F133 HydrophobicContact CB-CD2 3.56Å; L109-F133 HydrophobicContact CB-CE2 4.05Å; L109-F133 HydrophobicContact CB-CG 4.08Å; L109-F133 HydrophobicContact CD1-CD2 3.92Å; L109-F133 HydrophobicContact CG-CD2 4.39Å; L109-F133 CarbonylContact O-C 3.58Å; L109-F133 WeakPolarHBondContact O-CA 3.25Å; L109-S134 PolarHBondContact O-N 3.42Å; L109-S134 PolarHBondContact O-OG 2.92Å; L109-F229 HydrophobicContact CD1-CE1 4.15Å; L109-F229 HydrophobicContact CD1-CZ 4.15Å; L109-F231 HydrophobicContact CD1-CB 3.98Å; L109-F231 HydrophobicContact CD1-CD2 4.41Å; L109-F231 HydrophobicContact CD1-CG 4.16Å
110	H	93.9	Very high	93.6	Very high	114 Å²	114	50.4 Å²	50.4	53%	0.528	29%	0.285	S	S	.	.			trans	-105.3	-13.5	177.4	-58.7	-68	0	0	0	112.4	D114 S134	H110-D114 WeakPolarHBondContact CA-OD2 3.47Å; H110-D114 WeakPolarHBondContact CB-OD2 3.42Å; H110-D114 PolarHBondContact N-OD2 3Å; H110-S134 WeakPolarHBondContact CA-OG 3.39Å; H110-S134 PolarHBondContact ND1-OG 3.48Å
111	S	96.8	Very high	93.9	Very high	41 Å²	41	49.4 Å²	49.4	29%	0.287	28%	0.276	S	S	.	.	S	Bend	trans	-154.3	167.7	-172.7	67.2	0	0	0	0	112.7	N113 D114 L115	S111-N113 PolarHBondContact O-N 2.86Å; S111-N113 PolarHBondContact OG-N 3.31Å; S111-D114 PolarHBondContact N-OD2 2.9Å; S111-D114 PolarHBondContact O-N 3.41Å; S111-D114 PolarHBondContact OG-N 2.87Å; S111-D114 VanDerWaalsContact OG-N 3.14Å; S111-D114 PolarHBondContact OG-OD2 2.62Å; S111-L115 PolarHBondContact O-N 3.26Å; S111-L115 VanDerWaalsContact O-N 3.1Å
112	R	97.4	Very high	94.1	Very high	94 Å²	94	48.3 Å²	48.3	36%	0.355	26%	0.259	S	S	.	.	H	α-helix	trans	-57.8	-32.2	170.1	-71	174.9	-176	141	6.5	112.4	L98 E116 T138 D141 I142	L98-R112 HydrophobicContact CD1-CB 4.28Å; L98-R112 HydrophobicContact CD2-CB 4.28Å; R112-E116 WeakPolarHBondContact O-CB 3.48Å; R112-E116 PolarHBondContact O-N 2.85Å; R112-T138 HydrophobicContact CG-CG2 4.06Å; R112-D141 IonicContact NH2-OD2 3.84Å; R112-D141 PolarHBondContact NH2-OD2 2.85Å; R112-I142 HydrophobicContact CG-CD1 3.9Å; R112-I142 HydrophobicContact CG-CG1 4.38Å
113	N	96.7	Very high	94.3	Very high	77 Å²	77	41.6 Å²	41.6	41%	0.412	22%	0.223	S	C	.	.	H	α-helix	trans	-70.3	-42.6	177	-171.1	84.9	0	0	0	111.4	S111 L115 E116 E117	S111-N113 PolarHBondContact O-N 2.86Å; S111-N113 PolarHBondContact OG-N 3.31Å; N113-L115 VanDerWaalsContact C-N 3.31Å; N113-L115 PolarHBondContact O-N 3.35Å; N113-E116 WeakPolarHBondContact O-CB 3.44Å; N113-E116 PolarHBondContact O-N 2.94Å; N113-E117 VanDerWaalsContact ND2-CD 3.34Å; N113-E117 PolarHBondContact ND2-OE1 2.8Å; N113-E117 WeakPolarHBondContact O-CB 3.24Å; N113-E117 VanDerWaalsContact O-CG 3.32Å; N113-E117 WeakPolarHBondContact O-CG 3.29Å; N113-E117 PolarHBondContact O-N 3.41Å
114	D	97.3	Very high	94.3	Very high	21 Å²	21	41.3 Å²	41.3	11%	0.112	22%	0.22	C	C	.	.	H	α-helix	trans	-63.8	-39.8	176.2	-54.8	-34.5	0	0	0	111.3	H106 L109 H110 S111 E117 A118	H106-D114 HydrophobicContact CB-CB 4.49Å; H106-D114 IonicContact CE1-OD1 3.1Å; H106-D114 PolarHBondContact CE1-OD1 3.41Å; H106-D114 IonicContact ND1-OD1 3.22Å; H106-D114 IonicContact NE2-OD1 2.63Å; L109-D114 HydrophobicContact CB-CB 4.37Å; L109-D114 HydrophobicContact CD2-CB 4.14Å; H110-D114 WeakPolarHBondContact CA-OD2 3.47Å; H110-D114 WeakPolarHBondContact CB-OD2 3.42Å; H110-D114 PolarHBondContact N-OD2 3Å; S111-D114 PolarHBondContact N-OD2 2.9Å; S111-D114 PolarHBondContact O-N 3.41Å; S111-D114 PolarHBondContact OG-N 2.87Å; S111-D114 VanDerWaalsContact OG-N 3.14Å; S111-D114 PolarHBondContact OG-OD2 2.62Å; D114-E117 PolarHBondContact O-N 2.7Å; D114-A118 WeakPolarHBondContact O-CB 3.48Å; D114-A118 PolarHBondContact O-N 3.4Å
115	L	97.4	Very high	94.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.6	-47.7	174.1	170	62.2	0	0	0	111.4	L93 L109 S111 N113 F119 F133 I142 F229 F231	L93-L115 HydrophobicContact CD2-CD2 4.08Å; L93-L115 HydrophobicContact CD2-CG 4.02Å; L109-L115 HydrophobicContact CD1-CB 4.23Å; L109-L115 HydrophobicContact CD1-CD1 3.91Å; S111-L115 PolarHBondContact O-N 3.26Å; S111-L115 VanDerWaalsContact O-N 3.1Å; N113-L115 VanDerWaalsContact C-N 3.31Å; N113-L115 PolarHBondContact O-N 3.35Å; L115-F119 WeakPolarHBondContact O-CB 3.44Å; L115-F119 PolarHBondContact O-N 3.04Å; L115-F133 HydrophobicContact CB-CE2 4.13Å; L115-I142 HydrophobicContact CD2-CD1 4.16Å; L115-I142 HydrophobicContact CD2-CG2 4.44Å; L115-F229 HydrophobicContact CD1-CD1 4.39Å; L115-F229 HydrophobicContact CD1-CE1 3.78Å; L115-F231 HydrophobicContact CD1-CD1 3.62Å; L115-F231 HydrophobicContact CD1-CD2 4.49Å; L115-F231 HydrophobicContact CD1-CE1 3.35Å; L115-F231 HydrophobicContact CD1-CE2 4.27Å; L115-F231 HydrophobicContact CD1-CG 4.18Å; L115-F231 HydrophobicContact CD1-CZ 3.7Å; L115-F231 HydrophobicContact CD2-CE1 3.96Å; L115-F231 HydrophobicContact CD2-CE2 4.05Å; L115-F231 HydrophobicContact CD2-CZ 3.47Å; L115-F231 VanDerWaalsContact CD2-CZ 3.47Å; L115-F231 HydrophobicContact CG-CE1 4.31Å; L115-F231 HydrophobicContact CG-CZ 4.25Å
116	E	97.4	Very high	93.7	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.056	21%	0.206	C	C	.	.	H	α-helix	trans	-59.5	-53	177.2	-165.8	-148.1	126.7	0	0	112	L98 G101 R112 N113 A118 F119 I120 W218	L98-E116 HydrophobicContact CB-CG 4.41Å; L98-E116 HydrophobicContact CD1-CB 4.23Å; L98-E116 HydrophobicContact CD1-CG 4.49Å; G101-E116 VanDerWaalsContact CA-OE1 3.29Å; G101-E116 WeakPolarHBondContact CA-OE1 3.24Å; G101-E116 PolarHBondContact N-OE1 2.81Å; R112-E116 WeakPolarHBondContact O-CB 3.48Å; R112-E116 PolarHBondContact O-N 2.85Å; N113-E116 WeakPolarHBondContact O-CB 3.44Å; N113-E116 PolarHBondContact O-N 2.94Å; E116-A118 VanDerWaalsContact C-N 3.34Å; E116-A118 PolarHBondContact O-N 3.45Å; E116-F119 PolarHBondContact O-N 2.93Å; E116-I120 HydrophobicContact CG-CD1 4.08Å; E116-I120 WeakPolarHBondContact O-CG1 3.38Å; E116-I120 PolarHBondContact O-N 2.69Å; E116-I120 WeakPolarHBondContact OE1-CD1 3.39Å; E116-W218 HydrophobicContact CG-CH2 3.67Å; E116-W218 HydrophobicContact CG-CZ3 4.05Å
117	E	97.3	Very high	93.3	Very high	37 Å²	37	38.6 Å²	38.6	17%	0.173	21%	0.213	C	C	.	.	H	α-helix	trans	-60.2	-44.5	-178.2	-71.6	-176.5	-177.7	0	0	111.1	N102 G103 K104 H106 N113 D114 H121	N102-E117 WeakPolarHBondContact O-CG 3.21Å; G103-E117 WeakPolarHBondContact CA-O 3.29Å; K104-E117 HydrophobicContact CB-CB 4.15Å; K104-E117 PolarHBondContact N-O 2.96Å; K104-E117 CarbonylContact O-C 3.53Å; K104-E117 VanDerWaalsContact O-O 3.09Å; H106-E117 IonicContact CD2-OE2 3.25Å; H106-E117 IonicContact CE1-OE2 3.86Å; H106-E117 PolarHBondContact CE1-OE2 3.08Å; H106-E117 IonicContact NE2-OE2 3.78Å; H106-E117 PolarHBondContact NE2-OE2 2.96Å; N113-E117 VanDerWaalsContact ND2-CD 3.34Å; N113-E117 PolarHBondContact ND2-OE1 2.8Å; N113-E117 WeakPolarHBondContact O-CB 3.24Å; N113-E117 VanDerWaalsContact O-CG 3.32Å; N113-E117 WeakPolarHBondContact O-CG 3.29Å; N113-E117 PolarHBondContact O-N 3.41Å; D114-E117 PolarHBondContact O-N 2.7Å; E117-H121 WeakPolarHBondContact O-CB 3.47Å; E117-H121 PolarHBondContact O-N 3.43Å
118	A	96.3	Very high	93.2	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-67.5	-44.1	178.6	0	0	0	0	0	111.3	K104 L109 D114 E116 I120 H121 F122 F229	K104-A118 VanDerWaalsContact O-CA 3.23Å; K104-A118 WeakPolarHBondContact O-CA 3.33Å; K104-A118 PolarHBondContact O-N 2.94Å; K104-A118 VanDerWaalsContact O-N 3.12Å; L109-A118 HydrophobicContact CD2-CB 3.8Å; D114-A118 WeakPolarHBondContact O-CB 3.48Å; D114-A118 PolarHBondContact O-N 3.4Å; E116-A118 VanDerWaalsContact C-N 3.34Å; E116-A118 PolarHBondContact O-N 3.45Å; A118-I120 PolarHBondContact O-N 2.89Å; A118-H121 WeakPolarHBondContact O-CB 3.46Å; A118-H121 PolarHBondContact O-N 2.62Å; A118-F122 WeakPolarHBondContact O-CD2 3.4Å; A118-F122 PolarHBondContact O-N 2.93Å; A118-F122 VanDerWaalsContact O-N 3.09Å; A118-F229 HydrophobicContact CB-CE2 4.1Å; A118-F229 HydrophobicContact CB-CZ 3.92Å
119	F	96.5	Very high	93.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59	-48.1	176.8	178.6	-95.6	0	0	0	111.5	V90 L93 L115 E116 H121 F122 M123 L210 Y212 W218 F229	V90-F119 HydrophobicContact CG2-CE1 4.08Å; V90-F119 HydrophobicContact CG2-CZ 4.39Å; L93-F119 HydrophobicContact CD1-CB 3.93Å; L93-F119 HydrophobicContact CD1-CD1 3.28Å; L93-F119 HydrophobicContact CD1-CE1 3.93Å; L93-F119 HydrophobicContact CD1-CG 3.69Å; L115-F119 WeakPolarHBondContact O-CB 3.44Å; L115-F119 PolarHBondContact O-N 3.04Å; E116-F119 PolarHBondContact O-N 2.93Å; F119-H121 VanDerWaalsContact C-N 3.29Å; F119-H121 PolarHBondContact O-N 2.87Å; F119-F122 PolarHBondContact O-N 3.42Å; F119-M123 HydrophobicContact CD1-SD 4.47Å; F119-M123 HydrophobicContact CE1-CB 4.24Å; F119-M123 HydrophobicContact CE1-CG 4.48Å; F119-M123 HydrophobicContact CE1-SD 3.56Å; F119-M123 VanDerWaalsContact CE1-SD 3.56Å; F119-M123 HydrophobicContact CZ-CB 4.43Å; F119-M123 HydrophobicContact CZ-SD 3.98Å; F119-M123 VanDerWaalsContact O-CB 3.24Å; F119-M123 WeakPolarHBondContact O-CB 3.25Å; F119-M123 PolarHBondContact O-N 2.83Å; F119-L210 HydrophobicContact CD2-CB 4.1Å; F119-L210 HydrophobicContact CD2-CD2 3.89Å; F119-L210 HydrophobicContact CE2-CB 3.76Å; F119-L210 HydrophobicContact CE2-CD2 4.18Å; F119-Y212 AromaticContact CE2-CD1 3.64Å; F119-Y212 HydrophobicContact CE2-CD1 3.64Å; F119-Y212 HydrophobicContact CE2-CE1 4.09Å; F119-Y212 AromaticContact CZ-CD1 3.71Å; F119-Y212 HydrophobicContact CZ-CD1 3.71Å; F119-Y212 HydrophobicContact CZ-CE1 4.48Å; F119-Y212 HydrophobicContact CZ-CG 4.47Å; F119-W218 HydrophobicContact CD1-CZ3 4.35Å; F119-F229 HydrophobicContact CD2-CB 3.81Å; F119-F229 HydrophobicContact CD2-CD1 4.34Å; F119-F229 HydrophobicContact CD2-CG 4.17Å; F119-F229 HydrophobicContact CE2-CB 4.24Å
120	I	96.1	Very high	92.8	Very high	10 Å²	10	39.4 Å²	39.4	5%	0.051	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-41.3	176.9	-69.9	172.3	0	0	0	110.8	E116 A118 F122 G124 W218 L221	E116-I120 HydrophobicContact CG-CD1 4.08Å; E116-I120 WeakPolarHBondContact O-CG1 3.38Å; E116-I120 PolarHBondContact O-N 2.69Å; E116-I120 WeakPolarHBondContact OE1-CD1 3.39Å; A118-I120 PolarHBondContact O-N 2.89Å; I120-F122 PolarHBondContact O-N 2.82Å; I120-G124 PolarHBondContact O-N 2.97Å; I120-W218 HydrophobicContact CD1-CE3 4.14Å; I120-W218 HydrophobicContact CD1-CH2 4.45Å; I120-W218 HydrophobicContact CD1-CZ3 3.71Å; I120-W218 HydrophobicContact CG1-CE3 3.87Å; I120-W218 HydrophobicContact CG1-CZ3 3.62Å; I120-L221 HydrophobicContact CB-CD2 4.27Å; I120-L221 HydrophobicContact CG1-CD2 4.4Å; I120-L221 HydrophobicContact CG2-CD1 4.14Å; I120-L221 HydrophobicContact CG2-CD2 3.88Å
121	H	95.6	Very high	92.4	Very high	41 Å²	41	36.2 Å²	36.2	19%	0.19	20%	0.196	C	C	.	.	H	α-helix	trans	-57.7	-47.3	177.9	-177.7	84.8	0	0	0	112.5	E117 A118 F119 K125	E117-H121 WeakPolarHBondContact O-CB 3.47Å; E117-H121 PolarHBondContact O-N 3.43Å; A118-H121 WeakPolarHBondContact O-CB 3.46Å; A118-H121 PolarHBondContact O-N 2.62Å; F119-H121 VanDerWaalsContact C-N 3.29Å; F119-H121 PolarHBondContact O-N 2.87Å; H121-K125 PolarHBondContact CE1-NZ 3.1Å; H121-K125 VanDerWaalsContact CE1-NZ 3.29Å; H121-K125 VanDerWaalsContact NE2-CE 3.33Å; H121-K125 WeakPolarHBondContact NE2-CE 3.48Å; H121-K125 PolarHBondContact NE2-NZ 3.04Å; H121-K125 WeakPolarHBondContact O-CG 3.42Å; H121-K125 PolarHBondContact O-N 3.21Å
122	F	92.8	Very high	92	Very high	18 Å²	18	37.9 Å²	37.9	8%	0.079	20%	0.198	C	C	.	.	H	α-helix	trans	-78.5	-38.7	-178.1	-75.1	-67.6	0	0	0	113	D105 A118 F119 I120 G124 K125 G126 A127 A129 Y212 F229	D105-F122 VanDerWaalsContact OD1-CE2 3.28Å; D105-F122 WeakPolarHBondContact OD1-CE2 3.11Å; A118-F122 WeakPolarHBondContact O-CD2 3.4Å; A118-F122 PolarHBondContact O-N 2.93Å; A118-F122 VanDerWaalsContact O-N 3.09Å; F119-F122 PolarHBondContact O-N 3.42Å; I120-F122 PolarHBondContact O-N 2.82Å; F122-G124 VanDerWaalsContact C-N 3.33Å; F122-G124 PolarHBondContact O-N 3.14Å; F122-K125 CarbonylContact O-C 3.53Å; F122-K125 PolarHBondContact O-N 2.97Å; F122-K125 VanDerWaalsContact O-N 3.1Å; F122-G126 PolarHBondContact O-N 3.01Å; F122-A127 WeakPolarHBondContact CB-O 3.22Å; F122-A127 HydrophobicContact CD1-CB 4.2Å; F122-A127 PolarHBondContact O-N 2.94Å; F122-A129 HydrophobicContact CB-CB 4.48Å; F122-A129 HydrophobicContact CD1-CB 3.58Å; F122-A129 HydrophobicContact CD2-CB 3.49Å; F122-A129 VanDerWaalsContact CD2-CB 3.49Å; F122-A129 HydrophobicContact CE1-CB 3.63Å; F122-A129 HydrophobicContact CE2-CB 3.53Å; F122-A129 HydrophobicContact CG-CB 3.55Å; F122-A129 HydrophobicContact CZ-CB 3.64Å; F122-Y212 PolarHBondContact O-OH 3.3Å; F122-F229 HydrophobicContact CB-CD2 4.16Å; F122-F229 AromaticContact CD2-CD2 3.68Å; F122-F229 HydrophobicContact CD2-CD2 3.68Å; F122-F229 AromaticContact CD2-CE2 3.56Å; F122-F229 HydrophobicContact CD2-CE2 3.56Å; F122-F229 HydrophobicContact CE2-CE2 4.08Å; F122-F229 HydrophobicContact CG-CD2 4.18Å; F122-F229 HydrophobicContact CG-CE2 4.47Å
123	M	94.3	Very high	91.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.7	-43.1	173.3	-179.6	-179.4	173.4	0	0	111.2	V90 F119 K125 G126 Y212 E216 L221 A223 P224	V90-M123 HydrophobicContact CG2-CE 3.83Å; V90-M123 HydrophobicContact CG2-SD 3.8Å; F119-M123 HydrophobicContact CD1-SD 4.47Å; F119-M123 HydrophobicContact CE1-CB 4.24Å; F119-M123 HydrophobicContact CE1-CG 4.48Å; F119-M123 HydrophobicContact CE1-SD 3.56Å; F119-M123 VanDerWaalsContact CE1-SD 3.56Å; F119-M123 HydrophobicContact CZ-CB 4.43Å; F119-M123 HydrophobicContact CZ-SD 3.98Å; F119-M123 VanDerWaalsContact O-CB 3.24Å; F119-M123 WeakPolarHBondContact O-CB 3.25Å; F119-M123 PolarHBondContact O-N 2.83Å; M123-K125 PolarHBondContact O-N 3.44Å; M123-G126 PolarHBondContact O-N 3.3Å; M123-Y212 HydrophobicContact CB-CD1 4.1Å; M123-Y212 HydrophobicContact CB-CD2 4.47Å; M123-Y212 HydrophobicContact CB-CE1 4.09Å; M123-Y212 HydrophobicContact CB-CE2 4.46Å; M123-Y212 HydrophobicContact CB-CG 4.27Å; M123-Y212 HydrophobicContact CG-CD1 4.19Å; M123-Y212 HydrophobicContact CG-CD2 4.05Å; M123-Y212 HydrophobicContact CG-CE2 4.46Å; M123-Y212 HydrophobicContact CG-CG 3.89Å; M123-E216 HydrophobicContact CE-CB 4.08Å; M123-E216 HydrophobicContact CE-CG 4.04Å; M123-E216 VanDerWaalsContact CE-O 3.24Å; M123-E216 WeakPolarHBondContact CE-O 3.44Å; M123-L221 HydrophobicContact CB-CD2 3.85Å; M123-L221 HydrophobicContact CE-CD2 4.35Å; M123-L221 HydrophobicContact CG-CD2 3.71Å; M123-L221 HydrophobicContact SD-CD2 3.65Å; M123-A223 HydrophobicContact CE-CB 4.05Å; M123-A223 HydrophobicContact CG-CB 3.93Å; M123-P224 WeakPolarHBondContact O-CD 3.32Å
124	G	92.9	Very high	91.4	Very high	33 Å²	33	31.5 Å²	31.5	34%	0.34	17%	0.174	S	C	.	.	H	α-helix	trans	-62.9	-26.1	176.1	0	0	0	0	0	114.3	I120 F122	I120-G124 PolarHBondContact O-N 2.97Å; F122-G124 VanDerWaalsContact C-N 3.33Å; F122-G124 PolarHBondContact O-N 3.14Å
125	K	91.8	Very high	91.1	Very high	123 Å²	123	33.8 Å²	33.8	54%	0.535	19%	0.186	S	C	.	.	H	α-helix	trans	-90.5	-14.7	174.7	-70.4	177.6	173.1	-178.2	0	113.2	H121 F122 M123 A127	H121-K125 PolarHBondContact CE1-NZ 3.1Å; H121-K125 VanDerWaalsContact CE1-NZ 3.29Å; H121-K125 VanDerWaalsContact NE2-CE 3.33Å; H121-K125 WeakPolarHBondContact NE2-CE 3.48Å; H121-K125 PolarHBondContact NE2-NZ 3.04Å; H121-K125 WeakPolarHBondContact O-CG 3.42Å; H121-K125 PolarHBondContact O-N 3.21Å; F122-K125 CarbonylContact O-C 3.53Å; F122-K125 PolarHBondContact O-N 2.97Å; F122-K125 VanDerWaalsContact O-N 3.1Å; M123-K125 PolarHBondContact O-N 3.44Å; K125-A127 HydrophobicContact CB-CB 3.86Å; K125-A127 PolarHBondContact O-N 3.46Å
126	G	85.9	Confident	90.8	Very high	6 Å²	6	40 Å²	40	6%	0.062	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	31.6	-169.1	0	0	0	0	0	112.8	F122 M123 N227	F122-G126 PolarHBondContact O-N 3.01Å; M123-G126 PolarHBondContact O-N 3.3Å; G126-N227 PolarHBondContact O-ND2 3.44Å
127	A	83	Confident	90.7	Very high	32 Å²	32	45.3 Å²	45.3	26%	0.264	24%	0.238	S	C	.	.			trans	-115	143	-167.2	0	0	0	0	0	112.9	F122 K125 Y212	F122-A127 WeakPolarHBondContact CB-O 3.22Å; F122-A127 HydrophobicContact CD1-CB 4.2Å; F122-A127 PolarHBondContact O-N 2.94Å; K125-A127 HydrophobicContact CB-CB 3.86Å; K125-A127 PolarHBondContact O-N 3.46Å; A127-Y212 PolarHBondContact N-OH 2.93Å; A127-Y212 PolarHBondContact O-OH 3.45Å
128	A	80.4	Confident	90.7	Very high	52 Å²	52	45.1 Å²	45.1	43%	0.43	24%	0.24	S	C	.	.			trans	-65.1	141.3	174.1	0	0	0	0	0	111.6	N227	A128-N227 PolarHBondContact N-ND2 2.96Å; A128-N227 VanDerWaalsContact N-ND2 3.13Å
129	A	82.8	Confident	90.6	Very high	13 Å²	13	45.7 Å²	45.7	11%	0.107	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	156.4	165.6	0	0	0	0	0	111.2	F122 F229 I230	F122-A129 HydrophobicContact CB-CB 4.48Å; F122-A129 HydrophobicContact CD1-CB 3.58Å; F122-A129 HydrophobicContact CD2-CB 3.49Å; F122-A129 VanDerWaalsContact CD2-CB 3.49Å; F122-A129 HydrophobicContact CE1-CB 3.63Å; F122-A129 HydrophobicContact CE2-CB 3.53Å; F122-A129 HydrophobicContact CG-CB 3.55Å; F122-A129 HydrophobicContact CZ-CB 3.64Å; A129-F229 HydrophobicContact CB-CD2 3.83Å; A129-F229 HydrophobicContact CB-CE2 3.98Å; A129-F229 WeakPolarHBondContact O-CA 3.45Å; A129-I230 PolarHBondContact O-N 3.06Å
130	E	86.1	Confident	90.5	Very high	103 Å²	103	49.7 Å²	49.7	48%	0.481	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.3	173.4	-174.7	168.2	174.5	0	0	109.5	I230	E130-I230 CarbonylContact C-O 3.07Å; E130-I230 WeakPolarHBondContact CA-O 3.4Å; E130-I230 HydrophobicContact CB-CB 4.18Å; E130-I230 HydrophobicContact CG-CB 3.93Å; E130-I230 HydrophobicContact CG-CG2 3.99Å
131	R	86.6	Confident	90.5	Very high	47 Å²	47	52.7 Å²	52.7	18%	0.177	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	145.8	-176.2	-64.7	-63.8	-179.1	-94.8	6.3	112.7	D105 H106 S107 L109 F229 I230 F231 S232	D105-R131 IonicContact OD1-CZ 2.71Å; D105-R131 IonicContact OD1-NE 3.61Å; D105-R131 PolarHBondContact OD1-NE 3.27Å; D105-R131 IonicContact OD1-NH2 3.44Å; D105-R131 PolarHBondContact OD1-NH2 2.84Å; D105-R131 IonicContact OD2-NH2 3.98Å; D105-R131 PolarHBondContact OD2-NH2 3.3Å; H106-R131 WeakPolarHBondContact O-CD 3.35Å; H106-R131 PolarHBondContact O-NE 3.38Å; S107-R131 WeakPolarHBondContact O-CD 3.28Å; L109-R131 HydrophobicContact CD1-CB 3.85Å; L109-R131 HydrophobicContact CD2-CB 4.31Å; L109-R131 HydrophobicContact CD2-CG 4.33Å; L109-R131 HydrophobicContact CG-CB 3.81Å; L109-R131 HydrophobicContact CG-CG 4.38Å; R131-F229 HydrophobicContact CB-CZ 4.1Å; R131-F229 HydrophobicContact CG-CE2 3.93Å; R131-F229 HydrophobicContact CG-CZ 3.62Å; R131-I230 PolarHBondContact N-O 3.08Å; R131-F231 HydrophobicContact CB-CB 4.41Å; R131-F231 WeakPolarHBondContact O-CA 3.32Å; R131-F231 WeakPolarHBondContact O-CB 3.49Å; R131-S232 PolarHBondContact O-N 3.42Å
132	F	87.6	Confident	90.6	Very high	76 Å²	76	50.7 Å²	50.7	33%	0.333	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	133.1	166.8	-179.8	-112.3	0	0	0	110.2	V108 L109 S232 H233 L235	V108-F132 HydrophobicContact CG1-CD1 4.01Å; L109-F132 PolarHBondContact N-O 2.89Å; F132-S232 WeakPolarHBondContact CD2-O 3.3Å; F132-H233 AromaticContact CE2-ND1 3.94Å; F132-H233 AromaticContact CZ-CE1 3.92Å; F132-H233 AromaticContact CZ-ND1 3.67Å; F132-L235 HydrophobicContact CE2-CD2 4.06Å; F132-L235 HydrophobicContact CZ-CD2 3.91Å
133	F	92.1	Very high	90.8	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.7	171.6	-160.8	-69.8	0	0	0	109.1	L109 L115 D135 T138 F139 I142 F231 S232 H233	L109-F133 HydrophobicContact CB-CB 4.36Å; L109-F133 HydrophobicContact CB-CD2 3.56Å; L109-F133 HydrophobicContact CB-CE2 4.05Å; L109-F133 HydrophobicContact CB-CG 4.08Å; L109-F133 HydrophobicContact CD1-CD2 3.92Å; L109-F133 HydrophobicContact CG-CD2 4.39Å; L109-F133 CarbonylContact O-C 3.58Å; L109-F133 WeakPolarHBondContact O-CA 3.25Å; L115-F133 HydrophobicContact CB-CE2 4.13Å; F133-D135 WeakPolarHBondContact CD1-O 3.23Å; F133-D135 HydrophobicContact CE1-CB 4.04Å; F133-T138 HydrophobicContact CE1-CG2 3.92Å; F133-T138 HydrophobicContact CZ-CG2 3.76Å; F133-F139 HydrophobicContact CB-CB 4.49Å; F133-F139 HydrophobicContact CB-CD2 3.82Å; F133-F139 HydrophobicContact CB-CG 4.48Å; F133-F139 HydrophobicContact CD1-CB 3.76Å; F133-F139 HydrophobicContact CD1-CD2 4.43Å; F133-F139 HydrophobicContact CE1-CB 4.31Å; F133-F139 HydrophobicContact CG-CB 4.26Å; F133-F139 HydrophobicContact CG-CD2 4.07Å; F133-I142 HydrophobicContact CE2-CD1 3.84Å; F133-I142 HydrophobicContact CZ-CD1 3.81Å; F133-F231 HydrophobicContact CB-CD2 3.97Å; F133-F231 AromaticContact CD2-CD2 3.83Å; F133-F231 HydrophobicContact CD2-CD2 3.83Å; F133-F231 AromaticContact CD2-CE2 3.93Å; F133-F231 HydrophobicContact CD2-CE2 3.93Å; F133-F231 HydrophobicContact CG-CD2 4.27Å; F133-S232 PolarHBondContact N-O 2.9Å; F133-H233 PolarHBondContact O-ND1 2.73Å
134	S	88.6	Confident	90.8	Very high	38 Å²	38	54.1 Å²	54.1	27%	0.266	28%	0.284	S	S	.	.			trans	-83.6	-29.8	-165.9	58.4	0	0	0	0	115.6	L109 H110 K136 H233	L109-S134 PolarHBondContact O-N 3.42Å; L109-S134 PolarHBondContact O-OG 2.92Å; H110-S134 WeakPolarHBondContact CA-OG 3.39Å; H110-S134 PolarHBondContact ND1-OG 3.48Å; S134-K136 PolarHBondContact O-N 3.44Å; S134-H233 PolarHBondContact O-CE1 2.96Å; S134-H233 VanDerWaalsContact O-CE1 3.3Å
135	D	92.7	Very high	91	Very high	68 Å²	68	55.1 Å²	55.1	36%	0.364	28%	0.283	S	S	.	.			trans	-85.6	109.2	179.6	-173.4	-72.6	0	0	0	110.2	F133 E137 T138 F139	F133-D135 WeakPolarHBondContact CD1-O 3.23Å; F133-D135 HydrophobicContact CE1-CB 4.04Å; D135-E137 PolarHBondContact OD1-N 3.25Å; D135-T138 VanDerWaalsContact CG-OG1 3.3Å; D135-T138 WeakPolarHBondContact OD1-CB 3.18Å; D135-T138 PolarHBondContact OD1-N 2.92Å; D135-T138 PolarHBondContact OD1-OG1 2.8Å; D135-F139 VanDerWaalsContact O-CB 3.31Å; D135-F139 WeakPolarHBondContact O-CB 3.43Å; D135-F139 PolarHBondContact O-N 3.25Å
136	K	90.9	Very high	91.2	Very high	131 Å²	131	49.2 Å²	49.2	57%	0.57	26%	0.258	S	S	*	.	H	α-helix	trans	-59.7	-50.3	-173.9	-176.7	-175.2	175.6	-171.5	0	112.9	S134 F139 H140	S134-K136 PolarHBondContact O-N 3.44Å; K136-F139 PolarHBondContact O-N 3.05Å; K136-H140 WeakPolarHBondContact O-CB 3.34Å; K136-H140 PolarHBondContact O-N 3.45Å
137	E	94.8	Very high	91.6	Very high	124 Å²	124	50.1 Å²	50.1	58%	0.579	26%	0.263	S	S	*	.	H	α-helix	trans	-68.6	-43	-174.4	-60.1	-58.4	134	0	0	110.5	D135 F139 H140 D141	D135-E137 PolarHBondContact OD1-N 3.25Å; E137-F139 VanDerWaalsContact C-N 3.33Å; E137-F139 PolarHBondContact O-N 3.01Å; E137-H140 PolarHBondContact O-N 2.94Å; E137-D141 PolarHBondContact O-N 3.38Å
138	T	96.3	Very high	92.2	Very high	33 Å²	33	55 Å²	55	20%	0.202	28%	0.28	C	S	.	.	H	α-helix	trans	-64	-39.8	175.7	-55.6	0	0	0	0	111.3	R112 F133 D135 I142	R112-T138 HydrophobicContact CG-CG2 4.06Å; F133-T138 HydrophobicContact CE1-CG2 3.92Å; F133-T138 HydrophobicContact CZ-CG2 3.76Å; D135-T138 VanDerWaalsContact CG-OG1 3.3Å; D135-T138 WeakPolarHBondContact OD1-CB 3.18Å; D135-T138 PolarHBondContact OD1-N 2.92Å; D135-T138 PolarHBondContact OD1-OG1 2.8Å; T138-I142 HydrophobicContact CG2-CD1 4.01Å; T138-I142 WeakPolarHBondContact O-CD1 3.49Å; T138-I142 VanDerWaalsContact O-CG1 3.23Å; T138-I142 WeakPolarHBondContact O-CG1 3.43Å; T138-I142 PolarHBondContact O-N 2.78Å; T138-I142 VanDerWaalsContact O-N 3.12Å
139	F	95.8	Very high	93	Very high	12 Å²	12	55 Å²	55	5%	0.053	27%	0.271	C	S	.	.	H	α-helix	trans	-63.2	-45.8	174.5	177.8	-98.1	0	0	0	111.5	F133 D135 K136 E137 D141 I142 A143 F206 L208 F231 H233	F133-F139 HydrophobicContact CB-CB 4.49Å; F133-F139 HydrophobicContact CB-CD2 3.82Å; F133-F139 HydrophobicContact CB-CG 4.48Å; F133-F139 HydrophobicContact CD1-CB 3.76Å; F133-F139 HydrophobicContact CD1-CD2 4.43Å; F133-F139 HydrophobicContact CE1-CB 4.31Å; F133-F139 HydrophobicContact CG-CB 4.26Å; F133-F139 HydrophobicContact CG-CD2 4.07Å; D135-F139 VanDerWaalsContact O-CB 3.31Å; D135-F139 WeakPolarHBondContact O-CB 3.43Å; D135-F139 PolarHBondContact O-N 3.25Å; K136-F139 PolarHBondContact O-N 3.05Å; E137-F139 VanDerWaalsContact C-N 3.33Å; E137-F139 PolarHBondContact O-N 3.01Å; F139-D141 VanDerWaalsContact C-N 3.33Å; F139-D141 PolarHBondContact O-N 2.99Å; F139-I142 PolarHBondContact O-N 2.85Å; F139-I142 VanDerWaalsContact O-N 3.1Å; F139-A143 HydrophobicContact CE1-CB 4.09Å; F139-A143 HydrophobicContact CZ-CB 4.23Å; F139-A143 WeakPolarHBondContact O-CB 3.19Å; F139-A143 PolarHBondContact O-N 2.98Å; F139-F206 HydrophobicContact CE1-CB 4.45Å; F139-F206 HydrophobicContact CZ-CB 4.38Å; F139-F206 VanDerWaalsContact CZ-O 3.29Å; F139-F206 WeakPolarHBondContact CZ-O 3.18Å; F139-L208 HydrophobicContact CE2-CD1 4.01Å; F139-L208 HydrophobicContact CE2-CG 4.2Å; F139-L208 HydrophobicContact CZ-CD1 4.37Å; F139-L208 HydrophobicContact CZ-CG 4.26Å; F139-F231 AromaticContact CD2-CD2 3.89Å; F139-F231 HydrophobicContact CD2-CD2 3.89Å; F139-F231 AromaticContact CD2-CE2 3.82Å; F139-F231 HydrophobicContact CD2-CE2 3.82Å; F139-F231 AromaticContact CE2-CD2 3.67Å; F139-F231 HydrophobicContact CE2-CD2 3.67Å; F139-F231 AromaticContact CE2-CE2 3.74Å; F139-F231 HydrophobicContact CE2-CE2 3.74Å; F139-H233 HydrophobicContact CB-CB 3.92Å; F139-H233 HydrophobicContact CD1-CB 3.36Å; F139-H233 HydrophobicContact CD2-CB 4.17Å; F139-H233 HydrophobicContact CE1-CB 3.89Å; F139-H233 HydrophobicContact CG-CB 3.52Å
140	H	94.2	Very high	93.5	Very high	84 Å²	84	59.8 Å²	59.8	39%	0.389	30%	0.301	S	S	.	.	H	α-helix	trans	-56.6	-46.7	177.8	179.1	-83	0	0	0	111.5	K136 E137 I142 A143 Q144	K136-H140 WeakPolarHBondContact O-CB 3.34Å; K136-H140 PolarHBondContact O-N 3.45Å; E137-H140 PolarHBondContact O-N 2.94Å; H140-I142 VanDerWaalsContact C-N 3.33Å; H140-I142 PolarHBondContact O-N 2.91Å; H140-A143 PolarHBondContact O-N 3.22Å; H140-Q144 WeakPolarHBondContact O-CB 3.24Å; H140-Q144 PolarHBondContact O-N 2.97Å
141	D	95.9	Very high	93.6	Very high	72 Å²	72	58.3 Å²	58.3	39%	0.385	31%	0.313	S	S	.	.	H	α-helix	trans	-57	-45	174.5	-73.7	-7.8	0	0	0	112.1	R112 E137 F139 V145	R112-D141 IonicContact NH2-OD2 3.84Å; R112-D141 PolarHBondContact NH2-OD2 2.85Å; E137-D141 PolarHBondContact O-N 3.38Å; F139-D141 VanDerWaalsContact C-N 3.33Å; F139-D141 PolarHBondContact O-N 2.99Å; D141-V145 VanDerWaalsContact O-CG2 3.31Å; D141-V145 WeakPolarHBondContact O-CG2 3.2Å; D141-V145 PolarHBondContact O-N 2.72Å
142	I	97.7	Very high	94	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-67.3	-43.1	-179.7	-65.8	162.4	0	0	0	110.9	L92 L96 R112 L115 F133 T138 F139 H140 Q144 V145 A146 L208 F231	L92-I142 HydrophobicContact CD2-CG2 4.44Å; L96-I142 HydrophobicContact CD1-CG1 4.14Å; L96-I142 HydrophobicContact CD1-CG2 4.01Å; L96-I142 HydrophobicContact CD2-CG1 4.13Å; R112-I142 HydrophobicContact CG-CD1 3.9Å; R112-I142 HydrophobicContact CG-CG1 4.38Å; L115-I142 HydrophobicContact CD2-CD1 4.16Å; L115-I142 HydrophobicContact CD2-CG2 4.44Å; F133-I142 HydrophobicContact CE2-CD1 3.84Å; F133-I142 HydrophobicContact CZ-CD1 3.81Å; T138-I142 HydrophobicContact CG2-CD1 4.01Å; T138-I142 WeakPolarHBondContact O-CD1 3.49Å; T138-I142 VanDerWaalsContact O-CG1 3.23Å; T138-I142 WeakPolarHBondContact O-CG1 3.43Å; T138-I142 PolarHBondContact O-N 2.78Å; T138-I142 VanDerWaalsContact O-N 3.12Å; F139-I142 PolarHBondContact O-N 2.85Å; F139-I142 VanDerWaalsContact O-N 3.1Å; H140-I142 VanDerWaalsContact C-N 3.33Å; H140-I142 PolarHBondContact O-N 2.91Å; I142-Q144 VanDerWaalsContact C-N 3.33Å; I142-V145 PolarHBondContact O-N 3.48Å; I142-A146 WeakPolarHBondContact O-CB 3.32Å; I142-A146 PolarHBondContact O-N 3.34Å; I142-L208 HydrophobicContact CG2-CD1 3.8Å; I142-F231 HydrophobicContact CG2-CE2 4.17Å; I142-F231 HydrophobicContact CG2-CZ 3.83Å
143	A	96.3	Very high	94.3	Very high	2 Å²	2	57.8 Å²	57.8	2%	0.017	32%	0.316	C	S	.	.	H	α-helix	trans	-64.1	-39.5	178.8	0	0	0	0	0	111.5	F139 H140 A146 S147 F206 L208	F139-A143 HydrophobicContact CE1-CB 4.09Å; F139-A143 HydrophobicContact CZ-CB 4.23Å; F139-A143 WeakPolarHBondContact O-CB 3.19Å; F139-A143 PolarHBondContact O-N 2.98Å; H140-A143 PolarHBondContact O-N 3.22Å; A143-A146 PolarHBondContact O-N 2.89Å; A143-S147 WeakPolarHBondContact O-CB 3.32Å; A143-S147 PolarHBondContact O-N 2.92Å; A143-F206 HydrophobicContact CB-CB 4.01Å; A143-F206 HydrophobicContact CB-CD2 4.03Å; A143-F206 HydrophobicContact CB-CG 4.22Å; A143-L208 HydrophobicContact CB-CD1 4.14Å; A143-L208 HydrophobicContact CB-CD2 4.21Å
144	Q	95.1	Very high	94.5	Very high	87 Å²	87	59.9 Å²	59.9	41%	0.407	33%	0.326	S	S	.	.	H	α-helix	trans	-61.2	-50.4	172.7	-174.9	176.8	-1.2	0	0	111.2	H140 I142 A146 S147 E148	H140-Q144 WeakPolarHBondContact O-CB 3.24Å; H140-Q144 PolarHBondContact O-N 2.97Å; I142-Q144 VanDerWaalsContact C-N 3.33Å; Q144-A146 VanDerWaalsContact C-N 3.3Å; Q144-A146 PolarHBondContact O-N 3.07Å; Q144-S147 PolarHBondContact O-N 2.85Å; Q144-E148 HydrophobicContact CG-CG 4.42Å; Q144-E148 VanDerWaalsContact CG-OE1 3.28Å; Q144-E148 WeakPolarHBondContact CG-OE1 3.42Å; Q144-E148 PolarHBondContact NE2-OE1 3.18Å; Q144-E148 WeakPolarHBondContact O-CB 3.47Å; Q144-E148 WeakPolarHBondContact O-CG 3.45Å; Q144-E148 PolarHBondContact O-N 3.39Å
145	V	96.8	Very high	94.8	Very high	54 Å²	54	60.9 Å²	60.9	33%	0.327	32%	0.324	S	S	.	.	H	α-helix	trans	-59	-41.9	177.6	171.2	0	0	0	0	111.6	L92 A95 L96 D141 I142 F149	L92-V145 HydrophobicContact CD1-CG1 4.08Å; A95-V145 HydrophobicContact CB-CG1 4.34Å; L96-V145 HydrophobicContact CD2-CB 4.09Å; L96-V145 HydrophobicContact CD2-CG1 3.92Å; L96-V145 HydrophobicContact CD2-CG2 4.24Å; D141-V145 VanDerWaalsContact O-CG2 3.31Å; D141-V145 WeakPolarHBondContact O-CG2 3.2Å; D141-V145 PolarHBondContact O-N 2.72Å; I142-V145 PolarHBondContact O-N 3.48Å; V145-F149 WeakPolarHBondContact O-CB 3.37Å; V145-F149 PolarHBondContact O-N 3.21Å; V145-F149 VanDerWaalsContact O-N 3.16Å
146	A	96.6	Very high	95	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-66.7	-44	178	0	0	0	0	0	112.1	V85 L87 L92 I142 A143 Q144 F149 A152 L208	V85-A146 HydrophobicContact CG1-CB 4.29Å; L87-A146 HydrophobicContact CD1-CB 3.76Å; L87-A146 HydrophobicContact CD2-CB 4.42Å; L92-A146 HydrophobicContact CD1-CB 3.85Å; L92-A146 HydrophobicContact CD2-CB 4.04Å; I142-A146 WeakPolarHBondContact O-CB 3.32Å; I142-A146 PolarHBondContact O-N 3.34Å; A143-A146 PolarHBondContact O-N 2.89Å; Q144-A146 VanDerWaalsContact C-N 3.3Å; Q144-A146 PolarHBondContact O-N 3.07Å; A146-F149 VanDerWaalsContact O-CB 3.28Å; A146-F149 WeakPolarHBondContact O-CB 3.48Å; A146-F149 PolarHBondContact O-N 3.3Å; A146-A152 WeakPolarHBondContact O-CB 3.32Å; A146-L208 HydrophobicContact CB-CD1 4.22Å; A146-L208 HydrophobicContact CB-CD2 3.94Å
147	S	94.4	Very high	95.2	Very high	25 Å²	25	51.9 Å²	51.9	18%	0.175	28%	0.283	C	S	.	.	H	α-helix	trans	-67.5	-37.5	-178.7	-173.6	0	0	0	0	112.3	A143 Q144 F149 H154	A143-S147 WeakPolarHBondContact O-CB 3.32Å; A143-S147 PolarHBondContact O-N 2.92Å; Q144-S147 PolarHBondContact O-N 2.85Å; S147-F149 VanDerWaalsContact C-N 3.3Å; S147-H154 WeakPolarHBondContact CA-NE2 3.41Å; S147-H154 PolarHBondContact O-CE1 3.36Å; S147-H154 PolarHBondContact O-NE2 2.89Å; S147-H154 PolarHBondContact OG-NE2 3.5Å
148	E	95.4	Very high	95.2	Very high	134 Å²	134	46.6 Å²	46.6	63%	0.626	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-5.5	177.1	-65.8	175.8	-171.3	0	0	113	Q144	Q144-E148 HydrophobicContact CG-CG 4.42Å; Q144-E148 VanDerWaalsContact CG-OE1 3.28Å; Q144-E148 WeakPolarHBondContact CG-OE1 3.42Å; Q144-E148 PolarHBondContact NE2-OE1 3.18Å; Q144-E148 WeakPolarHBondContact O-CB 3.47Å; Q144-E148 WeakPolarHBondContact O-CG 3.45Å; Q144-E148 PolarHBondContact O-N 3.39Å
149	F	96.1	Very high	95.3	Very high	52 Å²	52	46 Å²	46	23%	0.228	26%	0.257	C	S	.	.	S	Bend	trans	-65.7	129.1	-175.5	-169.1	-94.8	0	0	0	111.4	L87 K91 A95 V145 A146 S147 G151 A152	L87-F149 HydrophobicContact CD1-CB 4.2Å; L87-F149 HydrophobicContact CD1-CG 4.46Å; K91-F149 HydrophobicContact CB-CE1 4.12Å; K91-F149 HydrophobicContact CB-CZ 3.79Å; K91-F149 HydrophobicContact CD-CE1 4.22Å; K91-F149 HydrophobicContact CD-CZ 4.28Å; A95-F149 HydrophobicContact CB-CD2 4.05Å; A95-F149 HydrophobicContact CB-CE2 3.84Å; V145-F149 WeakPolarHBondContact O-CB 3.37Å; V145-F149 PolarHBondContact O-N 3.21Å; V145-F149 VanDerWaalsContact O-N 3.16Å; A146-F149 VanDerWaalsContact O-CB 3.28Å; A146-F149 WeakPolarHBondContact O-CB 3.48Å; A146-F149 PolarHBondContact O-N 3.3Å; S147-F149 VanDerWaalsContact C-N 3.3Å; F149-G151 PolarHBondContact O-N 3.28Å; F149-G151 VanDerWaalsContact O-N 3.07Å; F149-A152 HydrophobicContact CB-CB 4.24Å; F149-A152 VanDerWaalsContact O-CB 3.28Å; F149-A152 WeakPolarHBondContact O-CB 3.21Å; F149-A152 PolarHBondContact O-N 3.06Å
150	P	93.8	Very high	95.4	Very high	114 Å²	114	45.5 Å²	45.5	74%	0.74	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	117.1	178.7	-26.9	35.4	0	0	0	112.6
151	G	88.4	Confident	95.6	Very high	71 Å²	71	41.5 Å²	41.5	73%	0.732	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.3	4.1	-178.6	0	0	0	0	0	114.9	F149	F149-G151 PolarHBondContact O-N 3.28Å; F149-G151 VanDerWaalsContact O-N 3.07Å
152	A	94	Very high	95.7	Very high	15 Å²	15	39.1 Å²	39.1	12%	0.124	22%	0.224	C	C	.	.			trans	-60.9	140.7	161.9	0	0	0	0	0	109.8	V85 L87 A146 F149	V85-A152 HydrophobicContact CG1-CB 4.19Å; L87-A152 HydrophobicContact CB-CB 4.25Å; A146-A152 WeakPolarHBondContact O-CB 3.32Å; F149-A152 HydrophobicContact CB-CB 4.24Å; F149-A152 VanDerWaalsContact O-CB 3.28Å; F149-A152 WeakPolarHBondContact O-CB 3.21Å; F149-A152 PolarHBondContact O-N 3.06Å
153	Q	94.3	Very high	95.7	Very high	97 Å²	97	39.1 Å²	39.1	45%	0.453	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.7	178.8	-60	176	-13.2	0	0	108.8	V85 V86 Y155	V85-Q153 WeakPolarHBondContact CA-O 3.36Å; V86-Q153 HydrophobicContact CB-CB 4.36Å; V86-Q153 PolarHBondContact N-O 3.31Å; V86-Q153 PolarHBondContact O-N 3.42Å; Q153-Y155 HydrophobicContact CB-CD2 4.3Å; Q153-Y155 HydrophobicContact CB-CE2 3.48Å; Q153-Y155 VanDerWaalsContact CB-CE2 3.48Å; Q153-Y155 VanDerWaalsContact CD-OH 3.27Å; Q153-Y155 PolarHBondContact OE1-OH 3.35Å
154	H	95.6	Very high	95.8	Very high	44 Å²	44	39 Å²	39	20%	0.204	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.4	178.1	-54.5	82.4	0	0	0	109.8	V83 D84 S147 L188	V83-H154 HydrophobicContact CG1-CB 4.37Å; D84-H154 WeakPolarHBondContact O-CA 3.47Å; S147-H154 WeakPolarHBondContact CA-NE2 3.41Å; S147-H154 PolarHBondContact O-CE1 3.36Å; S147-H154 PolarHBondContact O-NE2 2.89Å; S147-H154 PolarHBondContact OG-NE2 3.5Å; H154-L188 HydrophobicContact CB-CD1 3.93Å; H154-L188 HydrophobicContact CB-CD2 4.14Å
155	Y	95.3	Very high	96	Very high	60 Å²	60	37.3 Å²	37.3	24%	0.235	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	151	179	-59.8	-70.7	0	0	0	111.5	D84 V86 Q153 G157	D84-Y155 PolarHBondContact N-O 3.42Å; D84-Y155 PolarHBondContact O-N 2.88Å; V86-Y155 HydrophobicContact CB-CD2 4.48Å; V86-Y155 HydrophobicContact CB-CE2 4.16Å; V86-Y155 HydrophobicContact CG2-CD2 3.77Å; V86-Y155 HydrophobicContact CG2-CE2 3.81Å; Q153-Y155 HydrophobicContact CB-CD2 4.3Å; Q153-Y155 HydrophobicContact CB-CE2 3.48Å; Q153-Y155 VanDerWaalsContact CB-CE2 3.48Å; Q153-Y155 VanDerWaalsContact CD-OH 3.27Å; Q153-Y155 PolarHBondContact OE1-OH 3.35Å; Y155-G157 PolarHBondContact O-N 3.48Å
156	V	97.2	Very high	96	Very high	10 Å²	10	36.9 Å²	36.9	6%	0.061	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	127.2	162.4	179.5	0	0	0	0	108.2	A161 L162 L185 L188 L189 R475	V156-A161 HydrophobicContact CG1-CB 3.68Å; V156-L162 HydrophobicContact CG1-CD2 4.47Å; V156-L162 WeakPolarHBondContact O-CD2 3.49Å; V156-L185 HydrophobicContact CB-CD1 4.38Å; V156-L185 HydrophobicContact CG1-CD1 4.14Å; V156-L185 HydrophobicContact CG2-CD1 4.19Å; V156-L188 HydrophobicContact CG2-CB 3.85Å; V156-L189 HydrophobicContact CG1-CD2 4.1Å; V156-L189 HydrophobicContact CG2-CD2 4.19Å; V156-R475 PolarHBondContact O-NH2 2.04Å; V156-R475 VanDerWaalsContact O-NH2 3.07Å
157	G	95.6	Very high	96.1	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	167.5	176	0	0	0	0	0	111.6	C82 Y155 A161	C82-G157 PolarHBondContact N-O 3.06Å; C82-G157 CarbonylContact O-C 3.57Å; C82-G157 WeakPolarHBondContact O-CA 3.49Å; C82-G157 PolarHBondContact O-N 3.11Å; C82-G157 VanDerWaalsContact O-O 3.14Å; Y155-G157 PolarHBondContact O-N 3.48Å; G157-A161 WeakPolarHBondContact O-CB 3.42Å
158	G	95.1	Very high	96.3	Very high	13 Å²	13	35.8 Å²	35.8	13%	0.134	20%	0.201	C	C	.	.	S	Bend	trans	86.2	132.2	-173.1	0	0	0	0	0	112.3	N80 C82 A160 A161 L162	N80-G158 CarbonylContact O-C 3.56Å; C82-G158 PolarHBondContact SG-N 2.96Å; C82-G158 VanDerWaalsContact SG-N 3.38Å; G158-A160 VanDerWaalsContact C-N 3.33Å; G158-A160 PolarHBondContact O-N 3.31Å; G158-A161 PolarHBondContact O-N 2.86Å; G158-L162 WeakPolarHBondContact O-CB 3.36Å; G158-L162 WeakPolarHBondContact O-CG 3.32Å; G158-L162 PolarHBondContact O-N 2.9Å
159	N	96.9	Very high	96.4	Very high	21 Å²	21	32.6 Å²	32.6	11%	0.112	20%	0.197	C	C	.	.	H	α-helix	trans	-55.4	-47.4	-173.3	-57.6	86.2	0	0	0	112	N80 A161 L162 I163 S261 H264 D481	N80-N159 PolarHBondContact ND2-N 2.81Å; N80-N159 VanDerWaalsContact ND2-N 3.17Å; N80-N159 PolarHBondContact ND2-OD1 3.25Å; N159-A161 PolarHBondContact O-N 2.9Å; N159-L162 PolarHBondContact O-N 3.13Å; N159-I163 WeakPolarHBondContact O-CB 3.36Å; N159-I163 VanDerWaalsContact O-CG1 3.24Å; N159-I163 WeakPolarHBondContact O-CG1 3.19Å; N159-I163 PolarHBondContact O-N 2.98Å; N159-S261 VanDerWaalsContact CB-OG 3.26Å; N159-S261 WeakPolarHBondContact CB-OG 3.42Å; N159-H264 PolarHBondContact OD1-CE1 2.97Å; N159-H264 PolarHBondContact OD1-NE2 3.32Å; N159-D481 WeakPolarHBondContact CA-OD1 3.35Å; N159-D481 VanDerWaalsContact CB-OD1 3.24Å; N159-D481 WeakPolarHBondContact CB-OD1 3.2Å; N159-D481 PolarHBondContact ND2-OD1 3.14Å; N159-D481 PolarHBondContact ND2-OD2 3.15Å
160	A	98.2	Very high	96.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-45.5	-179.5	0	0	0	0	0	112	V77 G78 N80 G158 L162 I163 G164 L177	V77-A160 HydrophobicContact CG1-CB 3.98Å; V77-A160 WeakPolarHBondContact CG1-O 3.25Å; G78-A160 WeakPolarHBondContact O-CB 3.05Å; N80-A160 VanDerWaalsContact O-CB 3.32Å; N80-A160 WeakPolarHBondContact O-CB 3.36Å; N80-A160 PolarHBondContact O-N 2.98Å; N80-A160 PolarHBondContact OD1-N 3.28Å; N80-A160 VanDerWaalsContact OD1-N 3.1Å; G158-A160 VanDerWaalsContact C-N 3.33Å; G158-A160 PolarHBondContact O-N 3.31Å; A160-L162 PolarHBondContact O-N 3.34Å; A160-I163 PolarHBondContact O-N 2.78Å; A160-G164 PolarHBondContact O-N 3.32Å; A160-L177 HydrophobicContact CB-CD1 4.38Å
161	A	98.4	Very high	96.3	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.8	-39.8	177.6	0	0	0	0	0	112.4	N80 A81 V156 G157 G158 N159 G164 Q165 L177	N80-A161 PolarHBondContact O-N 2.86Å; A81-A161 HydrophobicContact CB-CB 3.83Å; V156-A161 HydrophobicContact CG1-CB 3.68Å; G157-A161 WeakPolarHBondContact O-CB 3.42Å; G158-A161 PolarHBondContact O-N 2.86Å; N159-A161 PolarHBondContact O-N 2.9Å; A161-G164 PolarHBondContact O-N 3.04Å; A161-Q165 VanDerWaalsContact O-CB 3.32Å; A161-Q165 WeakPolarHBondContact O-CB 3.46Å; A161-Q165 PolarHBondContact O-N 3.26Å; A161-L177 HydrophobicContact CB-CD1 4.44Å; A161-L177 HydrophobicContact CB-CD2 3.96Å
162	L	98.1	Very high	96.6	Very high	23 Å²	23	31.2 Å²	31.2	12%	0.12	18%	0.177	C	C	.	.	H	α-helix	trans	-64.3	-42.8	175.9	-74.5	163.4	0	0	0	112.5	V156 G158 N159 A160 K166 D481	V156-L162 HydrophobicContact CG1-CD2 4.47Å; V156-L162 WeakPolarHBondContact O-CD2 3.49Å; G158-L162 WeakPolarHBondContact O-CB 3.36Å; G158-L162 WeakPolarHBondContact O-CG 3.32Å; G158-L162 PolarHBondContact O-N 2.9Å; N159-L162 PolarHBondContact O-N 3.13Å; A160-L162 PolarHBondContact O-N 3.34Å; L162-K166 WeakPolarHBondContact O-CB 3.49Å; L162-K166 PolarHBondContact O-N 2.75Å; L162-D481 HydrophobicContact CB-CB 3.8Å; L162-D481 WeakPolarHBondContact CD1-OD2 3.17Å
163	I	98.8	Very high	96.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.9	-48	172.9	-71.7	170.2	0	0	0	110.1	V77 N159 A160 K166 F167 V259 E297 D481 A485	V77-I163 HydrophobicContact CG1-CB 4.01Å; V77-I163 HydrophobicContact CG1-CG2 3.79Å; V77-I163 HydrophobicContact CG2-CG2 4.19Å; N159-I163 WeakPolarHBondContact O-CB 3.36Å; N159-I163 VanDerWaalsContact O-CG1 3.24Å; N159-I163 WeakPolarHBondContact O-CG1 3.19Å; N159-I163 PolarHBondContact O-N 2.98Å; A160-I163 PolarHBondContact O-N 2.78Å; I163-K166 PolarHBondContact O-N 3.09Å; I163-F167 HydrophobicContact CG2-CD2 3.69Å; I163-F167 HydrophobicContact CG2-CE2 3.38Å; I163-F167 HydrophobicContact CG2-CZ 4.45Å; I163-F167 VanDerWaalsContact O-CD2 3.29Å; I163-F167 WeakPolarHBondContact O-CD2 3.29Å; I163-F167 PolarHBondContact O-N 2.9Å; I163-V259 HydrophobicContact CD1-CG1 3.82Å; I163-V259 HydrophobicContact CG2-CB 4.39Å; I163-V259 HydrophobicContact CG2-CG1 3.98Å; I163-E297 HydrophobicContact CD1-CB 3.91Å; I163-E297 HydrophobicContact CD1-CG 4.2Å; I163-D481 HydrophobicContact CG1-CB 3.87Å; I163-A485 HydrophobicContact CG2-CB 4.09Å
164	G	98.6	Very high	97	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.4	-48.4	178.2	0	0	0	0	0	112.2	A160 A161 K166 F167 A168	A160-G164 PolarHBondContact O-N 3.32Å; A161-G164 PolarHBondContact O-N 3.04Å; G164-K166 VanDerWaalsContact C-N 3.26Å; G164-K166 PolarHBondContact O-N 3.2Å; G164-F167 PolarHBondContact O-N 3.12Å; G164-A168 WeakPolarHBondContact O-CB 3.31Å; G164-A168 PolarHBondContact O-N 3.21Å
165	Q	98.1	Very high	97.2	Very high	51 Å²	51	29.3 Å²	29.3	24%	0.238	16%	0.164	C	C	.	.	H	α-helix	trans	-56.7	-41.7	175.7	-169	71.1	3.5	0	0	111.4	A161 A168 A169	A161-Q165 VanDerWaalsContact O-CB 3.32Å; A161-Q165 WeakPolarHBondContact O-CB 3.46Å; A161-Q165 PolarHBondContact O-N 3.26Å; Q165-A168 PolarHBondContact O-N 2.71Å; Q165-A169 PolarHBondContact O-N 3.44Å
166	K	98.1	Very high	97.4	Very high	45 Å²	45	26.6 Å²	26.6	20%	0.196	15%	0.153	C	C	.	.	H	α-helix	trans	-69.1	-39.8	-179.7	-177	62.5	-161.3	174.4	0	112.5	L162 I163 G164 A168 A169 V409 A482 A485 E486	L162-K166 WeakPolarHBondContact O-CB 3.49Å; L162-K166 PolarHBondContact O-N 2.75Å; I163-K166 PolarHBondContact O-N 3.09Å; G164-K166 VanDerWaalsContact C-N 3.26Å; G164-K166 PolarHBondContact O-N 3.2Å; K166-A168 VanDerWaalsContact C-N 3.34Å; K166-A169 WeakPolarHBondContact O-CB 3.45Å; K166-V409 HydrophobicContact CD-CG2 4.44Å; K166-A482 HydrophobicContact CB-CB 4.42Å; K166-A482 HydrophobicContact CD-CB 4.17Å; K166-A482 HydrophobicContact CG-CB 4.07Å; K166-A485 HydrophobicContact CB-CB 3.84Å; K166-A485 HydrophobicContact CG-CB 3.79Å; K166-E486 WeakPolarHBondContact CE-OE2 3.36Å; K166-E486 IonicContact NZ-OE2 3.29Å
167	F	98.7	Very high	97.4	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.009	15%	0.15	C	C	.	.	H	α-helix	trans	-63.7	-40.7	173.2	-77.5	-55.2	0	0	0	112.1	V75 V77 I163 G164 A169 N170 L173 V175 L257 V259 A485 L488 F489	V75-F167 HydrophobicContact CG1-CB 4.06Å; V75-F167 HydrophobicContact CG1-CD2 3.95Å; V75-F167 HydrophobicContact CG1-CG 3.98Å; V75-F167 HydrophobicContact CG2-CD2 4.11Å; V75-F167 HydrophobicContact CG2-CE2 3.89Å; V75-F167 HydrophobicContact CG2-CZ 4.37Å; V77-F167 HydrophobicContact CG2-CD2 4.16Å; V77-F167 HydrophobicContact CG2-CE2 4.4Å; I163-F167 HydrophobicContact CG2-CD2 3.69Å; I163-F167 HydrophobicContact CG2-CE2 3.38Å; I163-F167 HydrophobicContact CG2-CZ 4.45Å; I163-F167 VanDerWaalsContact O-CD2 3.29Å; I163-F167 WeakPolarHBondContact O-CD2 3.29Å; I163-F167 PolarHBondContact O-N 2.9Å; G164-F167 PolarHBondContact O-N 3.12Å; F167-A169 PolarHBondContact O-N 3.49Å; F167-N170 WeakPolarHBondContact O-CB 3.01Å; F167-N170 PolarHBondContact O-N 3.06Å; F167-N170 PolarHBondContact O-ND2 3.29Å; F167-N170 VanDerWaalsContact O-ND2 3.12Å; F167-L173 HydrophobicContact CB-CD2 3.73Å; F167-L173 HydrophobicContact CD1-CD2 3.53Å; F167-L173 HydrophobicContact CE1-CD2 4.41Å; F167-L173 HydrophobicContact CG-CD2 3.91Å; F167-V175 HydrophobicContact CB-CG2 3.63Å; F167-L257 HydrophobicContact CZ-CD2 4.05Å; F167-V259 HydrophobicContact CE2-CG2 4.07Å; F167-A485 HydrophobicContact CD1-CB 4.44Å; F167-A485 HydrophobicContact CD2-CB 4.29Å; F167-A485 HydrophobicContact CE1-CB 4.24Å; F167-A485 WeakPolarHBondContact CE1-O 3.36Å; F167-A485 HydrophobicContact CE2-CB 4.08Å; F167-A485 HydrophobicContact CG-CB 4.47Å; F167-A485 HydrophobicContact CZ-CB 4.05Å; F167-L488 HydrophobicContact CE1-CB 4.26Å; F167-L488 HydrophobicContact CZ-CB 3.88Å; F167-L488 HydrophobicContact CZ-CD1 4.14Å; F167-F489 HydrophobicContact CD1-CB 4.24Å; F167-F489 HydrophobicContact CD1-CD2 4.31Å; F167-F489 HydrophobicContact CE1-CB 3.91Å
168	A	98.2	Very high	97.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.4	-20.2	-176.1	0	0	0	0	0	114	G164 Q165 K166 N170 V175 D190 N192 V193	G164-A168 WeakPolarHBondContact O-CB 3.31Å; G164-A168 PolarHBondContact O-N 3.21Å; Q165-A168 PolarHBondContact O-N 2.71Å; K166-A168 VanDerWaalsContact C-N 3.34Å; A168-N170 PolarHBondContact O-N 2.92Å; A168-V175 HydrophobicContact CB-CG2 4.07Å; A168-D190 HydrophobicContact CB-CB 3.94Å; A168-N192 HydrophobicContact CB-CB 4.34Å; A168-V193 HydrophobicContact CB-CG2 3.46Å; A168-V193 VanDerWaalsContact CB-CG2 3.46Å
169	A	96.3	Very high	97.7	Very high	67 Å²	67	25.5 Å²	25.5	55%	0.554	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-11.1	169.7	0	0	0	0	0	113.6	Q165 K166 F167	Q165-A169 PolarHBondContact O-N 3.44Å; K166-A169 WeakPolarHBondContact O-CB 3.45Å; F167-A169 PolarHBondContact O-N 3.49Å
170	N	96.3	Very high	97.7	Very high	33 Å²	33	24.5 Å²	24.5	18%	0.176	14%	0.139	C	C	.	.			trans	-108.6	103.3	178.5	-56.9	-83.7	0	0	0	111.2	F167 A168 D172 L173 F489	F167-N170 WeakPolarHBondContact O-CB 3.01Å; F167-N170 PolarHBondContact O-N 3.06Å; F167-N170 PolarHBondContact O-ND2 3.29Å; F167-N170 VanDerWaalsContact O-ND2 3.12Å; A168-N170 PolarHBondContact O-N 2.92Å; N170-D172 PolarHBondContact O-N 3.1Å; N170-L173 HydrophobicContact CB-CB 4.31Å; N170-L173 PolarHBondContact O-N 3.29Å; N170-F489 HydrophobicContact CB-CE1 4.29Å; N170-F489 HydrophobicContact CB-CE2 3.79Å; N170-F489 HydrophobicContact CB-CZ 3.41Å; N170-F489 VanDerWaalsContact CB-CZ 3.41Å; N170-F489 VanDerWaalsContact CG-CE1 3.44Å; N170-F489 WeakPolarHBondContact OD1-CE1 3.4Å; N170-F489 WeakPolarHBondContact OD1-CZ 3.14Å
171	S	92.5	Very high	97.7	Very high	100 Å²	100	24.5 Å²	24.5	70%	0.699	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.8	-177.2	60.1	0	0	0	0	116	L173	S171-L173 VanDerWaalsContact C-N 3.32Å
172	D	95.3	Very high	97.7	Very high	75 Å²	75	24.6 Å²	24.6	40%	0.401	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-7.2	176.3	66.1	-40.1	0	0	0	113.8	R67 R71 N170	R67-D172 IonicContact CZ-OD2 3.55Å; R67-D172 IonicContact NH1-OD1 3.59Å; R67-D172 IonicContact NH1-OD2 3.71Å; R67-D172 PolarHBondContact NH1-OD2 3.46Å; R67-D172 IonicContact NH2-OD1 3.82Å; R67-D172 IonicContact NH2-OD2 2.68Å; R67-D172 PolarHBondContact NH2-OD2 2.81Å; R67-D172 VanDerWaalsContact NH2-OD2 3.11Å; R71-D172 IonicContact NH1-OD2 3.28Å; N170-D172 PolarHBondContact O-N 3.1Å
173	L	98.2	Very high	97.6	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	16%	0.159	C	C	.	.	S	Bend	trans	-113.2	124	-179.3	-179.8	62	0	0	0	110.3	W72 V75 F167 N170 S171 V175 F489	W72-L173 HydrophobicContact CB-CD1 3.87Å; V75-L173 HydrophobicContact CB-CD1 4.33Å; V75-L173 HydrophobicContact CG1-CD1 4.06Å; V75-L173 HydrophobicContact CG1-CD2 3.91Å; V75-L173 HydrophobicContact CG1-CG 3.99Å; F167-L173 HydrophobicContact CB-CD2 3.73Å; F167-L173 HydrophobicContact CD1-CD2 3.53Å; F167-L173 HydrophobicContact CE1-CD2 4.41Å; F167-L173 HydrophobicContact CG-CD2 3.91Å; N170-L173 HydrophobicContact CB-CB 4.31Å; N170-L173 PolarHBondContact O-N 3.29Å; S171-L173 VanDerWaalsContact C-N 3.32Å; L173-V175 HydrophobicContact CG-CG2 4.42Å; L173-F489 HydrophobicContact CB-CE2 4.25Å; L173-F489 HydrophobicContact CD2-CD2 3.77Å; L173-F489 HydrophobicContact CD2-CE2 3.79Å
174	K	98.6	Very high	97.6	Very high	112 Å²	112	29.5 Å²	29.5	49%	0.487	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	131.8	171.7	-64.2	-57.8	-175.9	-175.3	0	110.2	R73 R74 V75 F253	R73-K174 PolarHBondContact O-N 3.04Å; R74-K174 CarbonylContact C-O 3.55Å; R74-K174 WeakPolarHBondContact CA-O 3.13Å; R74-K174 HydrophobicContact CG-CB 4.17Å; V75-K174 PolarHBondContact N-O 2.85Å; K174-F253 HydrophobicContact CB-CZ 4.41Å
175	V	98.8	Very high	97.5	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	125.4	-177.4	-176.1	0	0	0	0	109.1	V75 V77 F167 A168 L173 F194	V75-V175 HydrophobicContact CG1-CB 4.26Å; V75-V175 HydrophobicContact CG1-CG1 4.24Å; V75-V175 HydrophobicContact CG1-CG2 3.79Å; V75-V175 WeakPolarHBondContact O-CA 3.3Å; V77-V175 HydrophobicContact CG2-CG1 4.43Å; F167-V175 HydrophobicContact CB-CG2 3.63Å; A168-V175 HydrophobicContact CB-CG2 4.07Å; L173-V175 HydrophobicContact CG-CG2 4.42Å; V175-F194 WeakPolarHBondContact O-CB 3.17Å; V175-F194 PolarHBondContact O-N 2.84Å
176	L	98.8	Very high	97.6	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.9	163	179.2	152.3	0	0	0	108.5	V75 A76 V77 F194 P196 F246 F253	V75-L176 PolarHBondContact O-N 2.93Å; A76-L176 CarbonylContact C-O 3.58Å; A76-L176 WeakPolarHBondContact CA-O 3.12Å; A76-L176 HydrophobicContact CB-CB 4.39Å; A76-L176 HydrophobicContact CB-CD2 4.15Å; V77-L176 PolarHBondContact N-O 3.46Å; L176-F194 CarbonylContact C-O 3.55Å; L176-F194 VanDerWaalsContact CA-O 3.32Å; L176-F194 WeakPolarHBondContact CA-O 3.33Å; L176-F194 HydrophobicContact CB-CD1 4.46Å; L176-F194 HydrophobicContact CD1-CD1 4.03Å; L176-F194 HydrophobicContact CD1-CE1 4.17Å; L176-F194 HydrophobicContact CG-CD1 4.19Å; L176-P196 HydrophobicContact CD1-CG 4.02Å; L176-P196 HydrophobicContact CD2-CG 4.46Å; L176-P196 HydrophobicContact CG-CG 4.18Å; L176-F246 HydrophobicContact CD2-CD2 4.08Å; L176-F246 HydrophobicContact CD2-CE2 4.05Å; L176-F253 HydrophobicContact CB-CD1 3.81Å; L176-F253 HydrophobicContact CB-CD2 3.9Å; L176-F253 HydrophobicContact CB-CE1 3.62Å; L176-F253 HydrophobicContact CB-CE2 3.73Å; L176-F253 HydrophobicContact CB-CG 3.94Å; L176-F253 HydrophobicContact CB-CZ 3.58Å; L176-F253 HydrophobicContact CD1-CB 3.65Å; L176-F253 HydrophobicContact CD1-CD1 4.09Å; L176-F253 HydrophobicContact CD1-CD2 3.74Å; L176-F253 HydrophobicContact CD1-CE2 4.4Å; L176-F253 HydrophobicContact CD1-CG 3.55Å; L176-F253 HydrophobicContact CG-CD2 4.48Å; L176-F253 HydrophobicContact CG-CG 4.39Å
177	L	98.8	Very high	97.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.5	174	175.8	65	0	0	0	109.8	V77 A160 A161 L189 V193 F194 V195 P196	V77-L177 HydrophobicContact CB-CD1 4.37Å; V77-L177 WeakPolarHBondContact O-CA 3.45Å; A160-L177 HydrophobicContact CB-CD1 4.38Å; A161-L177 HydrophobicContact CB-CD1 4.44Å; A161-L177 HydrophobicContact CB-CD2 3.96Å; L177-L189 HydrophobicContact CD2-CD1 3.78Å; L177-L189 HydrophobicContact CD2-CD2 3.76Å; L177-L189 HydrophobicContact CD2-CG 4.46Å; L177-V193 HydrophobicContact CB-CG1 3.55Å; L177-V193 HydrophobicContact CD2-CG1 4.06Å; L177-V193 HydrophobicContact CG-CG1 4.47Å; L177-F194 PolarHBondContact N-O 3.18Å; L177-V195 HydrophobicContact CB-CG2 4.5Å; L177-P196 WeakPolarHBondContact O-CD 3.37Å
178	C	98.2	Very high	97.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.208	C	C	.	.			trans	-116.1	145.6	164.7	-68.1	0	0	0	0	110.7	V77 G78 V79 S199 F246	V77-C178 PolarHBondContact O-N 2.81Å; G78-C178 WeakPolarHBondContact CA-O 3.42Å; V79-C178 WeakPolarHBondContact CA-O 3.43Å; C178-S199 WeakPolarHBondContact CA-OG 3.39Å; C178-F246 HydrophobicContact CB-CB 3.65Å; C178-F246 HydrophobicContact CB-CD2 3.67Å; C178-F246 HydrophobicContact CB-CG 4.09Å
179	G	97.6	Very high	97.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	165.6	177.5	-178.6	0	0	0	0	0	110	V79 V181 S199	V79-G179 WeakPolarHBondContact O-CA 3.35Å; G179-V181 PolarHBondContact O-N 3.15Å; G179-S199 PolarHBondContact N-OG 3.32Å; G179-S199 VanDerWaalsContact O-O 3.04Å; G179-S199 PolarHBondContact O-OG 3.38Å
180	P	97.3	Very high	97.6	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	20%	0.197	C	C	.	.			trans	-74.2	82.2	178.8	28.6	-31.7	0	0	0	110.1	A81 E205 N237 M242	A81-P180 VanDerWaalsContact O-CG 3.3Å; A81-P180 WeakPolarHBondContact O-CG 3.24Å; P180-E205 HydrophobicContact CB-CG 3.86Å; P180-E205 HydrophobicContact CG-CG 3.83Å; P180-N237 WeakPolarHBondContact CD-OD1 3.47Å; P180-N237 WeakPolarHBondContact CG-OD1 3.44Å; P180-M242 HydrophobicContact CB-CG 4.46Å
181	V	98.3	Very high	97.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-96.5	102.8	-173.6	-178.8	0	0	0	0	109.9	A81 G179 L185 H186 L189 V195 S199 L200 Q201	A81-V181 HydrophobicContact CB-CG2 4.49Å; G179-V181 PolarHBondContact O-N 3.15Å; V181-L185 HydrophobicContact CB-CD2 4.45Å; V181-L185 HydrophobicContact CG1-CB 4.26Å; V181-L185 HydrophobicContact CG1-CD2 4.39Å; V181-L185 HydrophobicContact CG1-CG 4.23Å; V181-L185 HydrophobicContact CG2-CD2 4.08Å; V181-H186 HydrophobicContact CG1-CB 3.91Å; V181-L189 HydrophobicContact CG1-CD1 4.18Å; V181-V195 HydrophobicContact CB-CG1 4.08Å; V181-V195 HydrophobicContact CG1-CG1 4.28Å; V181-V195 HydrophobicContact CG1-CG2 4.45Å; V181-V195 HydrophobicContact CG2-CG1 4.05Å; V181-S199 PolarHBondContact N-O 3.5Å; V181-L200 HydrophobicContact CB-CD2 4.29Å; V181-L200 HydrophobicContact CG1-CD2 3.94Å; V181-L200 WeakPolarHBondContact O-CA 3.19Å; V181-Q201 WeakPolarHBondContact O-CG 3.35Å; V181-Q201 PolarHBondContact O-N 2.94Å
182	G	97.4	Very high	97.8	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.01	22%	0.215	C	C	.	.			trans	-84.4	-179.5	170	0	0	0	0	0	112.7	K184 L185 H186 Q201 D204	G182-K184 VanDerWaalsContact C-N 3.34Å; G182-K184 PolarHBondContact O-N 3.15Å; G182-L185 PolarHBondContact O-N 3.19Å; G182-H186 WeakPolarHBondContact O-CB 3.49Å; G182-H186 PolarHBondContact O-N 3.36Å; G182-Q201 WeakPolarHBondContact CA-O 3.1Å; G182-D204 VanDerWaalsContact CA-CG 3.44Å; G182-D204 WeakPolarHBondContact CA-OD1 3.44Å; G182-D204 PolarHBondContact N-OD1 2.69Å
183	P	97.5	Very high	97.9	Very high	80 Å²	80	39.1 Å²	39.1	52%	0.519	20%	0.199	S	C	.	.	H	α-helix	trans	-63.1	-36.2	-176.9	22.8	-31.7	0	0	0	113.1	E187 E202 D204	P183-E187 PolarHBondContact O-N 3.12Å; P183-E187 VanDerWaalsContact O-N 3.09Å; P183-E202 WeakPolarHBondContact CD-O 3.44Å; P183-D204 WeakPolarHBondContact CD-OD2 3.32Å
184	K	97.3	Very high	97.9	Very high	46 Å²	46	44.2 Å²	44.2	20%	0.2	22%	0.221	C	C	.	.	H	α-helix	trans	-72.5	-41.5	-179.8	-174.9	62.1	-170.7	171.1	0	111.4	V83 G182 H186 E187 L188 D204 F206	V83-K184 HydrophobicContact CG1-CG 4.32Å; V83-K184 HydrophobicContact CG2-CB 4.34Å; V83-K184 HydrophobicContact CG2-CG 4.31Å; G182-K184 VanDerWaalsContact C-N 3.34Å; G182-K184 PolarHBondContact O-N 3.15Å; K184-H186 VanDerWaalsContact C-N 3.33Å; K184-E187 WeakPolarHBondContact CD-OE2 3.2Å; K184-E187 IonicContact NZ-OE1 3.3Å; K184-E187 PolarHBondContact NZ-OE1 3.49Å; K184-E187 IonicContact NZ-OE2 2.97Å; K184-E187 PolarHBondContact NZ-OE2 3.03Å; K184-E187 WeakPolarHBondContact O-CB 3.28Å; K184-E187 PolarHBondContact O-N 3Å; K184-L188 HydrophobicContact CG-CD1 4.28Å; K184-L188 VanDerWaalsContact O-CG 3.29Å; K184-L188 WeakPolarHBondContact O-CG 3.35Å; K184-L188 PolarHBondContact O-N 3Å; K184-D204 WeakPolarHBondContact CB-OD2 3.36Å; K184-D204 PolarHBondContact N-OD1 3.27Å; K184-D204 PolarHBondContact N-OD2 2.95Å; K184-F206 HydrophobicContact CB-CZ 4.33Å; K184-F206 HydrophobicContact CG-CE1 4.4Å
185	L	98.4	Very high	97.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.7	-43.3	175.3	-177.7	53	0	0	0	110.7	A81 C82 V83 V156 V181 G182 E187 L188 L189 D204	A81-L185 HydrophobicContact CB-CD2 3.76Å; C82-L185 WeakPolarHBondContact O-CD1 3.47Å; V83-L185 HydrophobicContact CG2-CB 3.63Å; V83-L185 HydrophobicContact CG2-CD1 4.27Å; V83-L185 HydrophobicContact CG2-CG 4.45Å; V156-L185 HydrophobicContact CB-CD1 4.38Å; V156-L185 HydrophobicContact CG1-CD1 4.14Å; V156-L185 HydrophobicContact CG2-CD1 4.19Å; V181-L185 HydrophobicContact CB-CD2 4.45Å; V181-L185 HydrophobicContact CG1-CB 4.26Å; V181-L185 HydrophobicContact CG1-CD2 4.39Å; V181-L185 HydrophobicContact CG1-CG 4.23Å; V181-L185 HydrophobicContact CG2-CD2 4.08Å; G182-L185 PolarHBondContact O-N 3.19Å; L185-E187 VanDerWaalsContact C-N 3.28Å; L185-E187 PolarHBondContact O-N 2.78Å; L185-L188 PolarHBondContact O-N 3.22Å; L185-L189 HydrophobicContact CD1-CD2 4.49Å; L185-L189 HydrophobicContact CD1-CG 4.25Å; L185-L189 HydrophobicContact CG-CD1 4.25Å; L185-L189 HydrophobicContact CG-CG 4.34Å; L185-L189 WeakPolarHBondContact O-CG 3.19Å; L185-L189 PolarHBondContact O-N 3.19Å; L185-D204 WeakPolarHBondContact CB-OD1 3.46Å; L185-D204 PolarHBondContact N-OD1 3.42Å
186	H	98.3	Very high	97.9	Very high	90 Å²	90	39.6 Å²	39.6	42%	0.417	20%	0.202	S	C	.	.	H	α-helix	trans	-59.9	-37.8	177.6	-167.6	-153.9	0	0	0	112.5	V181 G182 K184 L188	V181-H186 HydrophobicContact CG1-CB 3.91Å; G182-H186 WeakPolarHBondContact O-CB 3.49Å; G182-H186 PolarHBondContact O-N 3.36Å; K184-H186 VanDerWaalsContact C-N 3.33Å; H186-L188 VanDerWaalsContact C-N 3.31Å; H186-L188 PolarHBondContact O-N 2.94Å
187	E	97.8	Very high	97.8	Very high	136 Å²	136	43.7 Å²	43.7	64%	0.636	23%	0.229	S	C	*	.	H	α-helix	trans	-63.9	-33.3	172.6	-172	-156.3	141.6	0	0	112.9	P183 K184 L185	P183-E187 PolarHBondContact O-N 3.12Å; P183-E187 VanDerWaalsContact O-N 3.09Å; K184-E187 WeakPolarHBondContact CD-OE2 3.2Å; K184-E187 IonicContact NZ-OE1 3.3Å; K184-E187 PolarHBondContact NZ-OE1 3.49Å; K184-E187 IonicContact NZ-OE2 2.97Å; K184-E187 PolarHBondContact NZ-OE2 3.03Å; K184-E187 WeakPolarHBondContact O-CB 3.28Å; K184-E187 PolarHBondContact O-N 3Å; L185-E187 VanDerWaalsContact C-N 3.28Å; L185-E187 PolarHBondContact O-N 2.78Å
188	L	97.9	Very high	97.7	Very high	43 Å²	43	50.2 Å²	50.2	23%	0.225	26%	0.26	C	S	.	.	H	α-helix	trans	-83.7	-23.1	-177.7	-67.7	169	0	0	0	113.5	V83 H154 V156 K184 L185 H186	V83-L188 HydrophobicContact CG1-CD1 3.78Å; V83-L188 HydrophobicContact CG2-CD1 4.26Å; H154-L188 HydrophobicContact CB-CD1 3.93Å; H154-L188 HydrophobicContact CB-CD2 4.14Å; V156-L188 HydrophobicContact CG2-CB 3.85Å; K184-L188 HydrophobicContact CG-CD1 4.28Å; K184-L188 VanDerWaalsContact O-CG 3.29Å; K184-L188 WeakPolarHBondContact O-CG 3.35Å; K184-L188 PolarHBondContact O-N 3Å; L185-L188 PolarHBondContact O-N 3.22Å; H186-L188 VanDerWaalsContact C-N 3.31Å; H186-L188 PolarHBondContact O-N 2.94Å
189	L	98.4	Very high	97.7	Very high	10 Å²	10	50.2 Å²	50.2	5%	0.052	26%	0.26	C	S	.	.	S	Bend	trans	-68.5	151.1	177.3	-72.3	169.7	0	0	0	110.8	V156 L177 V181 L185 V193 V195	V156-L189 HydrophobicContact CG1-CD2 4.1Å; V156-L189 HydrophobicContact CG2-CD2 4.19Å; L177-L189 HydrophobicContact CD2-CD1 3.78Å; L177-L189 HydrophobicContact CD2-CD2 3.76Å; L177-L189 HydrophobicContact CD2-CG 4.46Å; V181-L189 HydrophobicContact CG1-CD1 4.18Å; L185-L189 HydrophobicContact CD1-CD2 4.49Å; L185-L189 HydrophobicContact CD1-CG 4.25Å; L185-L189 HydrophobicContact CG-CD1 4.25Å; L185-L189 HydrophobicContact CG-CG 4.34Å; L185-L189 WeakPolarHBondContact O-CG 3.19Å; L185-L189 PolarHBondContact O-N 3.19Å; L189-V193 HydrophobicContact CD1-CG1 4.44Å; L189-V195 HydrophobicContact CD1-CG2 3.95Å
190	D	97.8	Very high	97.7	Very high	51 Å²	51	53.7 Å²	53.7	27%	0.273	28%	0.278	S	S	.	.			trans	-65.3	139.9	173.5	-171.1	-75.1	0	0	0	110.6	A168 N192 V193	A168-D190 HydrophobicContact CB-CB 3.94Å; D190-N192 PolarHBondContact O-N 3.01Å; D190-N192 WeakPolarHBondContact OD1-CB 3.47Å; D190-N192 PolarHBondContact OD1-N 3.32Å; D190-N192 PolarHBondContact OD1-ND2 2.82Å; D190-V193 HydrophobicContact CB-CG2 4.22Å; D190-V193 WeakPolarHBondContact O-CB 3.23Å; D190-V193 PolarHBondContact O-N 3.32Å
191	D	96.3	Very high	97.6	Very high	169 Å²	169	56.3 Å²	56.3	90%	0.904	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-20.7	179.3	-68.1	-26.8	0	0	0	113.5	V193	D191-V193 VanDerWaalsContact C-N 3.31Å
192	N	96.6	Very high	97.4	Very high	66 Å²	66	65.1 Å²	65.1	35%	0.353	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-8.1	176.1	-60.6	-65.2	0	0	0	113.8	A168 D190	A168-N192 HydrophobicContact CB-CB 4.34Å; D190-N192 PolarHBondContact O-N 3.01Å; D190-N192 WeakPolarHBondContact OD1-CB 3.47Å; D190-N192 PolarHBondContact OD1-N 3.32Å; D190-N192 PolarHBondContact OD1-ND2 2.82Å
193	V	98.4	Very high	97.1	Very high	11 Å²	11	68.5 Å²	68.5	7%	0.067	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	117.9	173.4	-179.4	0	0	0	0	109.1	A168 L177 L189 D190 D191 V195	A168-V193 HydrophobicContact CB-CG2 3.46Å; A168-V193 VanDerWaalsContact CB-CG2 3.46Å; L177-V193 HydrophobicContact CB-CG1 3.55Å; L177-V193 HydrophobicContact CD2-CG1 4.06Å; L177-V193 HydrophobicContact CG-CG1 4.47Å; L189-V193 HydrophobicContact CD1-CG1 4.44Å; D190-V193 HydrophobicContact CB-CG2 4.22Å; D190-V193 WeakPolarHBondContact O-CB 3.23Å; D190-V193 PolarHBondContact O-N 3.32Å; D191-V193 VanDerWaalsContact C-N 3.31Å; V193-V195 HydrophobicContact CG1-CG2 4.13Å
194	F	98.4	Very high	97	Very high	109 Å²	109	65.3 Å²	65.3	48%	0.478	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	119.2	170.8	174.9	-107.2	0	0	0	110.1	V175 L176 L177 P196	V175-F194 WeakPolarHBondContact O-CB 3.17Å; V175-F194 PolarHBondContact O-N 2.84Å; L176-F194 CarbonylContact C-O 3.55Å; L176-F194 VanDerWaalsContact CA-O 3.32Å; L176-F194 WeakPolarHBondContact CA-O 3.33Å; L176-F194 HydrophobicContact CB-CD1 4.46Å; L176-F194 HydrophobicContact CD1-CD1 4.03Å; L176-F194 HydrophobicContact CD1-CE1 4.17Å; L176-F194 HydrophobicContact CG-CD1 4.19Å; L177-F194 PolarHBondContact N-O 3.18Å; F194-P196 HydrophobicContact CE1-CG 4.01Å
195	V	98.5	Very high	97	Very high	11 Å²	11	64.3 Å²	64.3	7%	0.067	33%	0.326	C	S	.	.			trans	-106.1	119.8	171.9	-176.1	0	0	0	0	108.2	L177 V181 L189 V193 L200	L177-V195 HydrophobicContact CB-CG2 4.5Å; V181-V195 HydrophobicContact CB-CG1 4.08Å; V181-V195 HydrophobicContact CG1-CG1 4.28Å; V181-V195 HydrophobicContact CG1-CG2 4.45Å; V181-V195 HydrophobicContact CG2-CG1 4.05Å; L189-V195 HydrophobicContact CD1-CG2 3.95Å; V193-V195 HydrophobicContact CG1-CG2 4.13Å; V195-L200 HydrophobicContact CB-CD2 4.22Å; V195-L200 HydrophobicContact CG1-CD2 3.72Å; V195-L200 HydrophobicContact CG1-CG 4.16Å
196	P	97.7	Very high	96.9	Very high	5 Å²	5	65.7 Å²	65.7	3%	0.032	33%	0.332	C	S	.	.			trans	-56.9	140.9	175.8	-27.5	37.4	0	0	0	111.3	L176 L177 F194 E198 S199 L200	L176-P196 HydrophobicContact CD1-CG 4.02Å; L176-P196 HydrophobicContact CD2-CG 4.46Å; L176-P196 HydrophobicContact CG-CG 4.18Å; L177-P196 WeakPolarHBondContact O-CD 3.37Å; F194-P196 HydrophobicContact CE1-CG 4.01Å; P196-E198 PolarHBondContact O-N 2.9Å; P196-E198 VanDerWaalsContact O-N 3.15Å; P196-S199 WeakPolarHBondContact O-CA 3.49Å; P196-S199 WeakPolarHBondContact O-CB 3.32Å; P196-S199 PolarHBondContact O-N 3.35Å; P196-L200 PolarHBondContact O-N 2.92Å
197	P	97.3	Very high	96.7	Very high	89 Å²	89	62.2 Å²	62.2	58%	0.578	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-54.2	-34	178.2	-27.4	35.6	0	0	0	113.8	S199 L200	P197-S199 PolarHBondContact O-N 3.21Å; P197-L200 PolarHBondContact O-N 3.36Å; P197-L200 VanDerWaalsContact O-N 3.15Å
198	E	97.2	Very high	96.7	Very high	136 Å²	136	55.7 Å²	55.7	64%	0.636	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-66.4	-17.8	175.9	-61.8	76.6	-168.8	0	0	112.8	P196 V245	P196-E198 PolarHBondContact O-N 2.9Å; P196-E198 VanDerWaalsContact O-N 3.15Å; E198-V245 HydrophobicContact CB-CG1 3.73Å
199	S	97.4	Very high	96.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-95.6	-5.9	176.2	-160.2	0	0	0	0	113.9	C178 G179 V181 P196 P197 M242	C178-S199 WeakPolarHBondContact CA-OG 3.39Å; G179-S199 PolarHBondContact N-OG 3.32Å; G179-S199 VanDerWaalsContact O-O 3.04Å; G179-S199 PolarHBondContact O-OG 3.38Å; V181-S199 PolarHBondContact N-O 3.5Å; P196-S199 WeakPolarHBondContact O-CA 3.49Å; P196-S199 WeakPolarHBondContact O-CB 3.32Å; P196-S199 PolarHBondContact O-N 3.35Å; P197-S199 PolarHBondContact O-N 3.21Å; S199-M242 VanDerWaalsContact CA-CE 3.44Å; S199-M242 WeakPolarHBondContact OG-CE 3.05Å
200	L	97.4	Very high	96.4	Very high	74 Å²	74	53.7 Å²	53.7	39%	0.387	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-83.9	137.5	174.5	-64.4	174.3	0	0	0	110.3	V181 V195 P196 P197	V181-L200 HydrophobicContact CB-CD2 4.29Å; V181-L200 HydrophobicContact CG1-CD2 3.94Å; V181-L200 WeakPolarHBondContact O-CA 3.19Å; V195-L200 HydrophobicContact CB-CD2 4.22Å; V195-L200 HydrophobicContact CG1-CD2 3.72Å; V195-L200 HydrophobicContact CG1-CG 4.16Å; P196-L200 PolarHBondContact O-N 2.92Å; P197-L200 PolarHBondContact O-N 3.36Å; P197-L200 VanDerWaalsContact O-N 3.15Å
201	Q	95.6	Very high	96.2	Very high	55 Å²	55	55 Å²	55	26%	0.257	28%	0.279	S	S	.	.			trans	-130	164.1	178.1	55.4	-177	58.8	0	0	111.8	V181 G182 V203	V181-Q201 WeakPolarHBondContact O-CG 3.35Å; V181-Q201 PolarHBondContact O-N 2.94Å; G182-Q201 WeakPolarHBondContact CA-O 3.1Å; Q201-V203 WeakPolarHBondContact CG-O 3.41Å; Q201-V203 PolarHBondContact NE2-O 2.85Å
202	E	93.6	Very high	96	Very high	185 Å²	185	47 Å²	47	86%	0.864	24%	0.237	S	C	*	.	S	Bend	trans	-73.2	-26.8	-175.9	-65.8	-175.3	169.8	0	0	113.5	P183	P183-E202 WeakPolarHBondContact CD-O 3.44Å
203	V	92.2	Very high	95.8	Very high	73 Å²	73	49 Å²	49	44%	0.442	24%	0.244	S	C	.	.	S	Bend	trans	-128.3	137.1	-172.7	-176.4	0	0	0	0	109.5	Q201	Q201-V203 WeakPolarHBondContact CG-O 3.41Å; Q201-V203 PolarHBondContact NE2-O 2.85Å
204	D	95.5	Very high	95.2	Very high	12 Å²	12	51.5 Å²	51.5	6%	0.064	27%	0.266	C	S	.	.			trans	-77.1	148.5	173.9	-66.6	-84.3	0	0	0	112.5	V83 G182 P183 K184 L185 F206	V83-D204 HydrophobicContact CG2-CB 4.1Å; G182-D204 VanDerWaalsContact CA-CG 3.44Å; G182-D204 WeakPolarHBondContact CA-OD1 3.44Å; G182-D204 PolarHBondContact N-OD1 2.69Å; P183-D204 WeakPolarHBondContact CD-OD2 3.32Å; K184-D204 WeakPolarHBondContact CB-OD2 3.36Å; K184-D204 PolarHBondContact N-OD1 3.27Å; K184-D204 PolarHBondContact N-OD2 2.95Å; L185-D204 WeakPolarHBondContact CB-OD1 3.46Å; L185-D204 PolarHBondContact N-OD1 3.42Å; D204-F206 HydrophobicContact CB-CD2 4.27Å; D204-F206 HydrophobicContact CB-CE1 4.35Å; D204-F206 HydrophobicContact CB-CE2 3.87Å; D204-F206 HydrophobicContact CB-CZ 3.91Å; D204-F206 PolarHBondContact O-N 2.87Å
205	E	95.9	Very high	94.9	Very high	25 Å²	25	47.9 Å²	47.9	12%	0.117	26%	0.259	C	S	.	.			trans	-79.6	108.3	162.7	-64.3	-64.3	170.7	0	0	108.7	C82 V83 P180 S236	C82-E205 CarbonylContact C-O 3.59Å; C82-E205 VanDerWaalsContact CA-O 3.32Å; C82-E205 WeakPolarHBondContact CA-O 3.41Å; C82-E205 HydrophobicContact CB-CB 4.11Å; C82-E205 WeakPolarHBondContact CB-O 3.19Å; V83-E205 PolarHBondContact N-O 3.22Å; P180-E205 HydrophobicContact CB-CG 3.86Å; P180-E205 HydrophobicContact CG-CG 3.83Å; E205-S236 WeakPolarHBondContact OE1-CB 3.34Å; E205-S236 PolarHBondContact OE1-OG 3.1Å
206	F	96.1	Very high	94.7	Very high	29 Å²	29	49.4 Å²	49.4	13%	0.127	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	136.2	178.3	-73.7	-69.9	0	0	0	111.7	V83 V85 F139 A143 K184 D204 L208 S232	V83-F206 HydrophobicContact CB-CD1 3.64Å; V83-F206 HydrophobicContact CB-CE1 3.71Å; V83-F206 HydrophobicContact CG1-CD1 3.89Å; V83-F206 HydrophobicContact CG1-CE1 3.7Å; V83-F206 HydrophobicContact CG2-CD1 4.49Å; V83-F206 HydrophobicContact CG2-CE1 4.2Å; V83-F206 WeakPolarHBondContact O-CA 3.49Å; V85-F206 HydrophobicContact CG2-CD1 3.51Å; V85-F206 HydrophobicContact CG2-CE1 4.03Å; V85-F206 HydrophobicContact CG2-CG 4.44Å; F139-F206 HydrophobicContact CE1-CB 4.45Å; F139-F206 HydrophobicContact CZ-CB 4.38Å; F139-F206 VanDerWaalsContact CZ-O 3.29Å; F139-F206 WeakPolarHBondContact CZ-O 3.18Å; A143-F206 HydrophobicContact CB-CB 4.01Å; A143-F206 HydrophobicContact CB-CD2 4.03Å; A143-F206 HydrophobicContact CB-CG 4.22Å; K184-F206 HydrophobicContact CB-CZ 4.33Å; K184-F206 HydrophobicContact CG-CE1 4.4Å; D204-F206 HydrophobicContact CB-CD2 4.27Å; D204-F206 HydrophobicContact CB-CE1 4.35Å; D204-F206 HydrophobicContact CB-CE2 3.87Å; D204-F206 HydrophobicContact CB-CZ 3.91Å; D204-F206 PolarHBondContact O-N 2.87Å; F206-L208 HydrophobicContact CB-CD2 4.23Å; F206-S232 WeakPolarHBondContact O-CB 3.46Å
207	H	95.4	Very high	94.6	Very high	17 Å²	17	54.8 Å²	54.8	8%	0.079	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	113	170.1	-77.6	-143.8	0	0	0	108	V83 V85 D234	V83-H207 PolarHBondContact O-N 3.4Å; V85-H207 PolarHBondContact N-O 2.86Å; H207-D234 IonicContact CD2-OD2 2.85Å; H207-D234 IonicContact CE1-OD2 3.74Å; H207-D234 IonicContact NE2-OD2 3.21Å; H207-D234 PolarHBondContact NE2-OD2 2.57Å
208	L	96.3	Very high	94.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	114.5	-174.3	-55.3	-174.3	0	0	0	109.4	V85 F139 I142 A143 A146 F206 L210 I230 F231	V85-L208 HydrophobicContact CB-CD2 3.73Å; V85-L208 HydrophobicContact CG1-CD2 4.37Å; V85-L208 HydrophobicContact CG2-CD2 3.92Å; F139-L208 HydrophobicContact CE2-CD1 4.01Å; F139-L208 HydrophobicContact CE2-CG 4.2Å; F139-L208 HydrophobicContact CZ-CD1 4.37Å; F139-L208 HydrophobicContact CZ-CG 4.26Å; I142-L208 HydrophobicContact CG2-CD1 3.8Å; A143-L208 HydrophobicContact CB-CD1 4.14Å; A143-L208 HydrophobicContact CB-CD2 4.21Å; A146-L208 HydrophobicContact CB-CD1 4.22Å; A146-L208 HydrophobicContact CB-CD2 3.94Å; F206-L208 HydrophobicContact CB-CD2 4.23Å; L208-L210 HydrophobicContact CB-CD1 3.87Å; L208-I230 VanDerWaalsContact O-CA 3.3Å; L208-I230 WeakPolarHBondContact O-CA 3.3Å; L208-F231 HydrophobicContact CB-CD1 4.21Å; L208-F231 HydrophobicContact CB-CE1 3.87Å; L208-F231 HydrophobicContact CB-CE2 4.48Å; L208-F231 HydrophobicContact CB-CZ 4.03Å; L208-F231 HydrophobicContact CD1-CE1 4.22Å; L208-F231 HydrophobicContact CD1-CE2 3.73Å; L208-F231 HydrophobicContact CD1-CZ 3.51Å; L208-F231 HydrophobicContact CG-CZ 4.33Å; L208-F231 PolarHBondContact N-O 3.43Å; L208-F231 PolarHBondContact O-N 3.07Å
209	I	95	Very high	94.1	Very high	11 Å²	11	47.3 Å²	47.3	6%	0.056	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	98.8	-177.2	-54.5	-177.5	0	0	0	108.4	D84 V85 V86 L87 E211 R228 I230	D84-I209 HydrophobicContact CB-CD1 3.92Å; V85-I209 PolarHBondContact O-N 3.2Å; V86-I209 HydrophobicContact CG2-CB 4.05Å; V86-I209 HydrophobicContact CG2-CD1 4.05Å; V86-I209 HydrophobicContact CG2-CG1 4.49Å; V86-I209 HydrophobicContact CG2-CG2 4.37Å; L87-I209 PolarHBondContact N-O 3.32Å; L87-I209 VanDerWaalsContact N-O 3.12Å; I209-E211 HydrophobicContact CG2-CG 4.38Å; I209-E211 PolarHBondContact O-N 3.42Å; I209-R228 HydrophobicContact CG2-CB 3.91Å; I209-R228 HydrophobicContact CG2-CG 3.98Å; I209-I230 HydrophobicContact CB-CG1 4.48Å; I209-I230 HydrophobicContact CG1-CD1 4.36Å; I209-I230 HydrophobicContact CG1-CG1 4.15Å; I209-I230 HydrophobicContact CG1-CG2 4.39Å; I209-I230 HydrophobicContact CG2-CG1 4.23Å
210	L	95.8	Very high	93.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	100	-177.9	-80.5	61.1	0	0	0	109.3	L87 L92 F119 L208 R228 F229 F231	L87-L210 HydrophobicContact CD2-CD1 4.08Å; L87-L210 WeakPolarHBondContact O-CA 3.15Å; L92-L210 HydrophobicContact CD2-CD1 3.78Å; L92-L210 HydrophobicContact CD2-CD2 4.05Å; L92-L210 HydrophobicContact CD2-CG 3.97Å; F119-L210 HydrophobicContact CD2-CB 4.1Å; F119-L210 HydrophobicContact CD2-CD2 3.89Å; F119-L210 HydrophobicContact CE2-CB 3.76Å; F119-L210 HydrophobicContact CE2-CD2 4.18Å; L208-L210 HydrophobicContact CB-CD1 3.87Å; L210-R228 CarbonylContact O-C 3.55Å; L210-R228 WeakPolarHBondContact O-CA 3.48Å; L210-F229 HydrophobicContact CB-CB 4.46Å; L210-F229 WeakPolarHBondContact CB-O 2.87Å; L210-F229 PolarHBondContact N-O 3.1Å; L210-F229 PolarHBondContact O-N 3.35Å; L210-F231 HydrophobicContact CD1-CD1 4.16Å; L210-F231 HydrophobicContact CD1-CE1 3.51Å; L210-F231 HydrophobicContact CD1-CZ 4.45Å; L210-F231 HydrophobicContact CD2-CE1 3.95Å; L210-F231 HydrophobicContact CG-CE1 4.37Å
211	E	93.8	Very high	93.4	Very high	77 Å²	77	55.4 Å²	55.4	36%	0.36	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	150.2	177.2	-62.7	-166.2	141.8	0	0	111.8	V86 L87 S88 G89 I209 R228	V86-E211 HydrophobicContact CG1-CG 3.86Å; L87-E211 PolarHBondContact O-N 3.02Å; S88-E211 WeakPolarHBondContact CA-O 3.34Å; G89-E211 PolarHBondContact N-O 3.33Å; I209-E211 HydrophobicContact CG2-CG 4.38Å; I209-E211 PolarHBondContact O-N 3.42Å; E211-R228 HydrophobicContact CG-CB 4.24Å
212	Y	91.9	Very high	93.4	Very high	1 Å²	1	58.3 Å²	58.3	0%	0.004	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	143.1	166.2	47.1	-95.1	0	0	0	110	F119 F122 M123 A127 E216 A223 A226 N227 F229	F119-Y212 AromaticContact CE2-CD1 3.64Å; F119-Y212 HydrophobicContact CE2-CD1 3.64Å; F119-Y212 HydrophobicContact CE2-CE1 4.09Å; F119-Y212 AromaticContact CZ-CD1 3.71Å; F119-Y212 HydrophobicContact CZ-CD1 3.71Å; F119-Y212 HydrophobicContact CZ-CE1 4.48Å; F119-Y212 HydrophobicContact CZ-CG 4.47Å; F122-Y212 PolarHBondContact O-OH 3.3Å; M123-Y212 HydrophobicContact CB-CD1 4.1Å; M123-Y212 HydrophobicContact CB-CD2 4.47Å; M123-Y212 HydrophobicContact CB-CE1 4.09Å; M123-Y212 HydrophobicContact CB-CE2 4.46Å; M123-Y212 HydrophobicContact CB-CG 4.27Å; M123-Y212 HydrophobicContact CG-CD1 4.19Å; M123-Y212 HydrophobicContact CG-CD2 4.05Å; M123-Y212 HydrophobicContact CG-CE2 4.46Å; M123-Y212 HydrophobicContact CG-CG 3.89Å; A127-Y212 PolarHBondContact N-OH 2.93Å; A127-Y212 PolarHBondContact O-OH 3.45Å; Y212-E216 WeakPolarHBondContact CA-OE2 3.17Å; Y212-A223 HydrophobicContact CD2-CB 3.94Å; Y212-A226 CarbonylContact O-C 3.05Å; Y212-A226 WeakPolarHBondContact O-CA 3.44Å; Y212-N227 HydrophobicContact CD2-CB 4.42Å; Y212-N227 HydrophobicContact CE2-CB 3.49Å; Y212-N227 VanDerWaalsContact CE2-CB 3.49Å; Y212-N227 PolarHBondContact N-O 3.43Å; Y212-N227 PolarHBondContact O-N 2.98Å; Y212-N227 WeakPolarHBondContact OH-CB 3.27Å; Y212-F229 HydrophobicContact CE1-CB 4.49Å
213	Q	91.4	Very high	93.4	Very high	108 Å²	108	49.6 Å²	49.6	51%	0.505	27%	0.27	S	S	.	.			trans	-91.7	156.7	-176.9	-60.6	-61.1	-33.6	0	0	111.7	G215 E216 A223	Q213-G215 PolarHBondContact O-N 3.29Å; Q213-E216 HydrophobicContact CB-CB 4.32Å; Q213-E216 PolarHBondContact N-OE2 2.76Å; Q213-E216 VanDerWaalsContact O-CB 3.24Å; Q213-E216 WeakPolarHBondContact O-CB 3.39Å; Q213-E216 PolarHBondContact O-N 3.46Å; Q213-A223 WeakPolarHBondContact O-CB 3.43Å
214	A	87.8	Confident	93.3	Very high	64 Å²	64	49.2 Å²	49.2	53%	0.529	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	125.5	172.3	0	0	0	0	0	109.8	E216 A226	A214-E216 VanDerWaalsContact C-N 3.32Å; A214-A226 HydrophobicContact CB-CB 4.48Å
215	G	91.7	Very high	92.7	Very high	33 Å²	33	54.3 Å²	54.3	34%	0.34	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	2.7	-176.8	0	0	0	0	0	115.4	Q213 K222 A223	Q213-G215 PolarHBondContact O-N 3.29Å; G215-K222 WeakPolarHBondContact O-CE 3.24Å; G215-A223 WeakPolarHBondContact CA-O 3.13Å; G215-A223 PolarHBondContact N-O 3.47Å
216	E	94.4	Very high	92.1	Very high	43 Å²	43	55.7 Å²	55.7	20%	0.201	31%	0.308	C	S	.	.			trans	-63.2	139	172.2	-173.9	167.8	175.2	0	0	110.5	S88 V90 M123 Y212 Q213 A214 K222 A223	S88-E216 PolarHBondContact OG-OE1 3.48Å; V90-E216 HydrophobicContact CG2-CG 4.29Å; V90-E216 WeakPolarHBondContact CG2-OE1 3.35Å; M123-E216 HydrophobicContact CE-CB 4.08Å; M123-E216 HydrophobicContact CE-CG 4.04Å; M123-E216 VanDerWaalsContact CE-O 3.24Å; M123-E216 WeakPolarHBondContact CE-O 3.44Å; Y212-E216 WeakPolarHBondContact CA-OE2 3.17Å; Q213-E216 HydrophobicContact CB-CB 4.32Å; Q213-E216 PolarHBondContact N-OE2 2.76Å; Q213-E216 VanDerWaalsContact O-CB 3.24Å; Q213-E216 WeakPolarHBondContact O-CB 3.39Å; Q213-E216 PolarHBondContact O-N 3.46Å; A214-E216 VanDerWaalsContact C-N 3.32Å; E216-K222 WeakPolarHBondContact O-CA 3.43Å; E216-A223 PolarHBondContact O-N 3.34Å
217	E	95.3	Very high	91.7	Very high	119 Å²	119	56.5 Å²	56.5	56%	0.556	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	139	-172.8	-69.7	176.1	-174.9	0	0	111.7	L221 K222	E217-L221 VanDerWaalsContact CA-O 3.24Å; E217-L221 WeakPolarHBondContact CA-O 3.3Å; E217-K222 HydrophobicContact CG-CB 4.09Å; E217-K222 HydrophobicContact CG-CD 4.17Å; E217-K222 HydrophobicContact CG-CG 3.88Å; E217-K222 WeakPolarHBondContact OE1-CD 3.13Å; E217-K222 WeakPolarHBondContact OE1-CE 3.39Å; E217-K222 IonicContact OE1-NZ 2.75Å; E217-K222 PolarHBondContact OE1-NZ 2.9Å
218	W	94	Very high	91.4	Very high	12 Å²	12	60.3 Å²	60.3	5%	0.045	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	109.6	168.2	-170.6	35.1	0	0	0	110.1	V90 L93 P100 E116 F119 I120 Q220 L221	V90-W218 HydrophobicContact CG1-CB 3.84Å; V90-W218 HydrophobicContact CG1-CD2 4.24Å; V90-W218 HydrophobicContact CG1-CG 3.68Å; V90-W218 HydrophobicContact CG2-CB 3.88Å; V90-W218 HydrophobicContact CG2-CG 4.31Å; L93-W218 HydrophobicContact CB-CH2 3.53Å; L93-W218 HydrophobicContact CB-CZ2 3.92Å; L93-W218 HydrophobicContact CB-CZ3 4.15Å; L93-W218 HydrophobicContact CD1-CE3 4.24Å; L93-W218 HydrophobicContact CD1-CH2 3.53Å; L93-W218 HydrophobicContact CD1-CZ3 3.31Å; L93-W218 HydrophobicContact CG-CH2 4.15Å; L93-W218 HydrophobicContact CG-CZ3 4.37Å; P100-W218 HydrophobicContact CB-CD2 3.91Å; P100-W218 HydrophobicContact CB-CE3 4.34Å; P100-W218 HydrophobicContact CB-CG 4.2Å; P100-W218 HydrophobicContact CB-CZ2 4.29Å; E116-W218 HydrophobicContact CG-CH2 3.67Å; E116-W218 HydrophobicContact CG-CZ3 4.05Å; F119-W218 HydrophobicContact CD1-CZ3 4.35Å; I120-W218 HydrophobicContact CD1-CE3 4.14Å; I120-W218 HydrophobicContact CD1-CH2 4.45Å; I120-W218 HydrophobicContact CD1-CZ3 3.71Å; I120-W218 HydrophobicContact CG1-CE3 3.87Å; I120-W218 HydrophobicContact CG1-CZ3 3.62Å; W218-Q220 PolarHBondContact O-N 2.74Å; W218-L221 PolarHBondContact N-O 3.24Å; W218-L221 WeakPolarHBondContact O-CB 3.46Å; W218-L221 PolarHBondContact O-N 3.3Å; W218-L221 VanDerWaalsContact O-N 3.15Å
219	G	89.4	Confident	91.2	Very high	55 Å²	55	60.3 Å²	60.3	57%	0.567	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	-122.4	-168.9	0	0	0	0	0	111
220	Q	88.1	Confident	91	Very high	209 Å²	209	60.7 Å²	60.7	98%	0.977	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-4.9	175.6	-62	-176.4	1.6	0	0	113	W218	W218-Q220 PolarHBondContact O-N 2.74Å
221	L	92.1	Very high	90.9	Very high	36 Å²	36	60.7 Å²	60.7	19%	0.188	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	137.4	-179.4	-167.4	76.2	0	0	0	110.1	I120 M123 E217 W218	I120-L221 HydrophobicContact CB-CD2 4.27Å; I120-L221 HydrophobicContact CG1-CD2 4.4Å; I120-L221 HydrophobicContact CG2-CD1 4.14Å; I120-L221 HydrophobicContact CG2-CD2 3.88Å; M123-L221 HydrophobicContact CB-CD2 3.85Å; M123-L221 HydrophobicContact CE-CD2 4.35Å; M123-L221 HydrophobicContact CG-CD2 3.71Å; M123-L221 HydrophobicContact SD-CD2 3.65Å; E217-L221 VanDerWaalsContact CA-O 3.24Å; E217-L221 WeakPolarHBondContact CA-O 3.3Å; W218-L221 PolarHBondContact N-O 3.24Å; W218-L221 WeakPolarHBondContact O-CB 3.46Å; W218-L221 PolarHBondContact O-N 3.3Å; W218-L221 VanDerWaalsContact O-N 3.15Å
222	K	94.8	Very high	90.9	Very high	116 Å²	116	57.5 Å²	57.5	50%	0.504	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	125.5	171.5	-172.3	172	-168	139.2	0	110.1	G215 E216 E217	G215-K222 WeakPolarHBondContact O-CE 3.24Å; E216-K222 WeakPolarHBondContact O-CA 3.43Å; E217-K222 HydrophobicContact CG-CB 4.09Å; E217-K222 HydrophobicContact CG-CD 4.17Å; E217-K222 HydrophobicContact CG-CG 3.88Å; E217-K222 WeakPolarHBondContact OE1-CD 3.13Å; E217-K222 WeakPolarHBondContact OE1-CE 3.39Å; E217-K222 IonicContact OE1-NZ 2.75Å; E217-K222 PolarHBondContact OE1-NZ 2.9Å
223	A	94	Very high	90.8	Very high	2 Å²	2	58.5 Å²	58.5	2%	0.017	32%	0.32	C	S	.	.			trans	-70.4	125.3	179.3	0	0	0	0	0	110.8	M123 Y212 Q213 G215 E216 H225	M123-A223 HydrophobicContact CE-CB 4.05Å; M123-A223 HydrophobicContact CG-CB 3.93Å; Y212-A223 HydrophobicContact CD2-CB 3.94Å; Q213-A223 WeakPolarHBondContact O-CB 3.43Å; G215-A223 WeakPolarHBondContact CA-O 3.13Å; G215-A223 PolarHBondContact N-O 3.47Å; E216-A223 PolarHBondContact O-N 3.34Å; A223-H225 VanDerWaalsContact C-N 3.35Å
224	P	90.6	Very high	90.7	Very high	65 Å²	65	53.9 Å²	53.9	42%	0.422	30%	0.299	S	S	.	.	S	Bend	trans	-73.5	-29.1	178.2	28.5	-33.4	0	0	0	112.5	M123	M123-P224 WeakPolarHBondContact O-CD 3.32Å
225	H	82.7	Confident	90.7	Very high	119 Å²	119	54.9 Å²	54.9	55%	0.551	30%	0.295	S	S	*	.	S	Bend	trans	-140.5	153.7	-177.9	-55.5	-52.1	0	0	0	110.1	A223	A223-H225 VanDerWaalsContact C-N 3.35Å
226	A	83.2	Confident	90.7	Very high	53 Å²	53	54.3 Å²	54.3	44%	0.438	29%	0.286	S	S	.	.			trans	-72	134	170.1	0	0	0	0	0	109.5	Y212 A214	Y212-A226 CarbonylContact O-C 3.05Å; Y212-A226 WeakPolarHBondContact O-CA 3.44Å; A214-A226 HydrophobicContact CB-CB 4.48Å
227	N	87.6	Confident	90.6	Very high	47 Å²	47	52.5 Å²	52.5	25%	0.251	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	-172.7	176	-143.1	-41.8	0	0	0	110.2	G126 A128 Y212	G126-N227 PolarHBondContact O-ND2 3.44Å; A128-N227 PolarHBondContact N-ND2 2.96Å; A128-N227 VanDerWaalsContact N-ND2 3.13Å; Y212-N227 HydrophobicContact CD2-CB 4.42Å; Y212-N227 HydrophobicContact CE2-CB 3.49Å; Y212-N227 VanDerWaalsContact CE2-CB 3.49Å; Y212-N227 PolarHBondContact N-O 3.43Å; Y212-N227 PolarHBondContact O-N 2.98Å; Y212-N227 WeakPolarHBondContact OH-CB 3.27Å
228	R	89.3	Confident	90.2	Very high	96 Å²	96	47 Å²	47	36%	0.362	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	152.2	175.8	74.1	-85.1	-178.2	-90.6	-10.1	112.9	I209 L210 E211 I230	I209-R228 HydrophobicContact CG2-CB 3.91Å; I209-R228 HydrophobicContact CG2-CG 3.98Å; L210-R228 CarbonylContact O-C 3.55Å; L210-R228 WeakPolarHBondContact O-CA 3.48Å; E211-R228 HydrophobicContact CG-CB 4.24Å; R228-I230 HydrophobicContact CG-CD1 4.16Å; R228-I230 HydrophobicContact CG-CG1 4.02Å
229	F	91.7	Very high	90	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.4	167.6	-178.8	-89.9	0	0	0	108.7	L109 L115 A118 F119 F122 A129 R131 L210 Y212 F231	L109-F229 HydrophobicContact CD1-CE1 4.15Å; L109-F229 HydrophobicContact CD1-CZ 4.15Å; L115-F229 HydrophobicContact CD1-CD1 4.39Å; L115-F229 HydrophobicContact CD1-CE1 3.78Å; A118-F229 HydrophobicContact CB-CE2 4.1Å; A118-F229 HydrophobicContact CB-CZ 3.92Å; F119-F229 HydrophobicContact CD2-CB 3.81Å; F119-F229 HydrophobicContact CD2-CD1 4.34Å; F119-F229 HydrophobicContact CD2-CG 4.17Å; F119-F229 HydrophobicContact CE2-CB 4.24Å; F122-F229 HydrophobicContact CB-CD2 4.16Å; F122-F229 AromaticContact CD2-CD2 3.68Å; F122-F229 HydrophobicContact CD2-CD2 3.68Å; F122-F229 AromaticContact CD2-CE2 3.56Å; F122-F229 HydrophobicContact CD2-CE2 3.56Å; F122-F229 HydrophobicContact CE2-CE2 4.08Å; F122-F229 HydrophobicContact CG-CD2 4.18Å; F122-F229 HydrophobicContact CG-CE2 4.47Å; A129-F229 HydrophobicContact CB-CD2 3.83Å; A129-F229 HydrophobicContact CB-CE2 3.98Å; A129-F229 WeakPolarHBondContact O-CA 3.45Å; R131-F229 HydrophobicContact CB-CZ 4.1Å; R131-F229 HydrophobicContact CG-CE2 3.93Å; R131-F229 HydrophobicContact CG-CZ 3.62Å; L210-F229 HydrophobicContact CB-CB 4.46Å; L210-F229 WeakPolarHBondContact CB-O 2.87Å; L210-F229 PolarHBondContact N-O 3.1Å; L210-F229 PolarHBondContact O-N 3.35Å; Y212-F229 HydrophobicContact CE1-CB 4.49Å; F229-F231 HydrophobicContact CD1-CD1 4.1Å; F229-F231 HydrophobicContact CE1-CB 4.27Å; F229-F231 AromaticContact CE1-CD1 3.9Å; F229-F231 HydrophobicContact CE1-CD1 3.9Å; F229-F231 HydrophobicContact CE1-CG 4.43Å
230	I	91.8	Very high	90.2	Very high	20 Å²	20	44.5 Å²	44.5	10%	0.103	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.7	-175.7	-54.8	177.4	0	0	0	109.5	A129 E130 R131 L208 I209 R228	A129-I230 PolarHBondContact O-N 3.06Å; E130-I230 CarbonylContact C-O 3.07Å; E130-I230 WeakPolarHBondContact CA-O 3.4Å; E130-I230 HydrophobicContact CB-CB 4.18Å; E130-I230 HydrophobicContact CG-CB 3.93Å; E130-I230 HydrophobicContact CG-CG2 3.99Å; R131-I230 PolarHBondContact N-O 3.08Å; L208-I230 VanDerWaalsContact O-CA 3.3Å; L208-I230 WeakPolarHBondContact O-CA 3.3Å; I209-I230 HydrophobicContact CB-CG1 4.48Å; I209-I230 HydrophobicContact CG1-CD1 4.36Å; I209-I230 HydrophobicContact CG1-CG1 4.15Å; I209-I230 HydrophobicContact CG1-CG2 4.39Å; I209-I230 HydrophobicContact CG2-CG1 4.23Å; R228-I230 HydrophobicContact CG-CD1 4.16Å; R228-I230 HydrophobicContact CG-CG1 4.02Å
231	F	93.6	Very high	90.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	152.6	165.5	68.2	-78.6	0	0	0	112.9	L109 L115 R131 F133 F139 I142 L208 L210 F229	L109-F231 HydrophobicContact CD1-CB 3.98Å; L109-F231 HydrophobicContact CD1-CD2 4.41Å; L109-F231 HydrophobicContact CD1-CG 4.16Å; L115-F231 HydrophobicContact CD1-CD1 3.62Å; L115-F231 HydrophobicContact CD1-CD2 4.49Å; L115-F231 HydrophobicContact CD1-CE1 3.35Å; L115-F231 HydrophobicContact CD1-CE2 4.27Å; L115-F231 HydrophobicContact CD1-CG 4.18Å; L115-F231 HydrophobicContact CD1-CZ 3.7Å; L115-F231 HydrophobicContact CD2-CE1 3.96Å; L115-F231 HydrophobicContact CD2-CE2 4.05Å; L115-F231 HydrophobicContact CD2-CZ 3.47Å; L115-F231 VanDerWaalsContact CD2-CZ 3.47Å; L115-F231 HydrophobicContact CG-CE1 4.31Å; L115-F231 HydrophobicContact CG-CZ 4.25Å; R131-F231 HydrophobicContact CB-CB 4.41Å; R131-F231 WeakPolarHBondContact O-CA 3.32Å; R131-F231 WeakPolarHBondContact O-CB 3.49Å; F133-F231 HydrophobicContact CB-CD2 3.97Å; F133-F231 AromaticContact CD2-CD2 3.83Å; F133-F231 HydrophobicContact CD2-CD2 3.83Å; F133-F231 AromaticContact CD2-CE2 3.93Å; F133-F231 HydrophobicContact CD2-CE2 3.93Å; F133-F231 HydrophobicContact CG-CD2 4.27Å; F139-F231 AromaticContact CD2-CD2 3.89Å; F139-F231 HydrophobicContact CD2-CD2 3.89Å; F139-F231 AromaticContact CD2-CE2 3.82Å; F139-F231 HydrophobicContact CD2-CE2 3.82Å; F139-F231 AromaticContact CE2-CD2 3.67Å; F139-F231 HydrophobicContact CE2-CD2 3.67Å; F139-F231 AromaticContact CE2-CE2 3.74Å; F139-F231 HydrophobicContact CE2-CE2 3.74Å; I142-F231 HydrophobicContact CG2-CE2 4.17Å; I142-F231 HydrophobicContact CG2-CZ 3.83Å; L208-F231 HydrophobicContact CB-CD1 4.21Å; L208-F231 HydrophobicContact CB-CE1 3.87Å; L208-F231 HydrophobicContact CB-CE2 4.48Å; L208-F231 HydrophobicContact CB-CZ 4.03Å; L208-F231 HydrophobicContact CD1-CE1 4.22Å; L208-F231 HydrophobicContact CD1-CE2 3.73Å; L208-F231 HydrophobicContact CD1-CZ 3.51Å; L208-F231 HydrophobicContact CG-CZ 4.33Å; L208-F231 PolarHBondContact N-O 3.43Å; L208-F231 PolarHBondContact O-N 3.07Å; L210-F231 HydrophobicContact CD1-CD1 4.16Å; L210-F231 HydrophobicContact CD1-CE1 3.51Å; L210-F231 HydrophobicContact CD1-CZ 4.45Å; L210-F231 HydrophobicContact CD2-CE1 3.95Å; L210-F231 HydrophobicContact CG-CE1 4.37Å; F229-F231 HydrophobicContact CD1-CD1 4.1Å; F229-F231 HydrophobicContact CE1-CB 4.27Å; F229-F231 AromaticContact CE1-CD1 3.9Å; F229-F231 HydrophobicContact CE1-CD1 3.9Å; F229-F231 HydrophobicContact CE1-CG 4.43Å
232	S	92.9	Very high	90.5	Very high	10 Å²	10	37.2 Å²	37.2	7%	0.07	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	161.2	-179.6	62.8	0	0	0	0	111.7	R131 F132 F133 F206	R131-S232 PolarHBondContact O-N 3.42Å; F132-S232 WeakPolarHBondContact CD2-O 3.3Å; F133-S232 PolarHBondContact N-O 2.9Å; F206-S232 WeakPolarHBondContact O-CB 3.46Å
233	H	91.2	Very high	90.4	Very high	22 Å²	22	31.9 Å²	31.9	10%	0.102	17%	0.173	C	C	.	.			trans	-110.1	54.3	164	-173.5	83.7	0	0	0	109.7	F132 F133 S134 F139 L235	F132-H233 AromaticContact CE2-ND1 3.94Å; F132-H233 AromaticContact CZ-CE1 3.92Å; F132-H233 AromaticContact CZ-ND1 3.67Å; F133-H233 PolarHBondContact O-ND1 2.73Å; S134-H233 PolarHBondContact O-CE1 2.96Å; S134-H233 VanDerWaalsContact O-CE1 3.3Å; F139-H233 HydrophobicContact CB-CB 3.92Å; F139-H233 HydrophobicContact CD1-CB 3.36Å; F139-H233 HydrophobicContact CD2-CB 4.17Å; F139-H233 HydrophobicContact CE1-CB 3.89Å; F139-H233 HydrophobicContact CG-CB 3.52Å; H233-L235 PolarHBondContact O-N 2.97Å
234	D	88.8	Confident	90.3	Very high	10 Å²	10	35.8 Å²	35.8	5%	0.053	19%	0.192	C	C	.	.			trans	-93.1	87.9	-169.9	-169.5	-14.4	0	0	0	112.4	H207 S236 N237	H207-D234 IonicContact CD2-OD2 2.85Å; H207-D234 IonicContact CE1-OD2 3.74Å; H207-D234 IonicContact NE2-OD2 3.21Å; H207-D234 PolarHBondContact NE2-OD2 2.57Å; D234-S236 PolarHBondContact OD1-N 3.35Å; D234-N237 VanDerWaalsContact CG-ND2 3.32Å; D234-N237 VanDerWaalsContact OD1-CB 3.24Å; D234-N237 WeakPolarHBondContact OD1-CB 3.15Å; D234-N237 PolarHBondContact OD1-N 3.2Å; D234-N237 PolarHBondContact OD1-ND2 2.89Å; D234-N237 WeakPolarHBondContact OD2-CB 3.36Å; D234-N237 PolarHBondContact OD2-ND2 2.8Å
235	L	87.5	Confident	90.5	Very high	86 Å²	86	34.2 Å²	34.2	45%	0.45	18%	0.18	S	C	.	.	H	α-helix	trans	-82.7	-29.4	175.7	-61.8	179.6	0	0	0	112	F132 H233 A239	F132-L235 HydrophobicContact CE2-CD2 4.06Å; F132-L235 HydrophobicContact CZ-CD2 3.91Å; H233-L235 PolarHBondContact O-N 2.97Å; L235-A239 WeakPolarHBondContact O-CB 3.49Å; L235-A239 PolarHBondContact O-N 3.23Å
236	S	91.6	Very high	91.1	Very high	21 Å²	21	28.8 Å²	28.8	15%	0.147	16%	0.155	C	C	.	.	H	α-helix	trans	-69.7	-49.2	-173.4	-58.9	0	0	0	0	111.9	E205 D234 M240 N241	E205-S236 WeakPolarHBondContact OE1-CB 3.34Å; E205-S236 PolarHBondContact OE1-OG 3.1Å; D234-S236 PolarHBondContact OD1-N 3.35Å; S236-M240 PolarHBondContact O-N 3.01Å; S236-M240 VanDerWaalsContact O-N 3.14Å; S236-N241 PolarHBondContact O-N 3.11Å
237	N	91.9	Very high	91.4	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-70.6	-38	175.6	-65.9	-51.8	0	0	0	110.6	N80 A81 P180 D234 A239 M240 M265	N80-N237 WeakPolarHBondContact CA-OD1 3.41Å; N80-N237 HydrophobicContact CB-CB 4.3Å; A81-N237 PolarHBondContact N-OD1 2.89Å; A81-N237 VanDerWaalsContact N-OD1 3.1Å; A81-N237 PolarHBondContact O-ND2 3.45Å; P180-N237 WeakPolarHBondContact CD-OD1 3.47Å; P180-N237 WeakPolarHBondContact CG-OD1 3.44Å; D234-N237 VanDerWaalsContact CG-ND2 3.32Å; D234-N237 VanDerWaalsContact OD1-CB 3.24Å; D234-N237 WeakPolarHBondContact OD1-CB 3.15Å; D234-N237 PolarHBondContact OD1-N 3.2Å; D234-N237 PolarHBondContact OD1-ND2 2.89Å; D234-N237 WeakPolarHBondContact OD2-CB 3.36Å; D234-N237 PolarHBondContact OD2-ND2 2.8Å; N237-A239 VanDerWaalsContact C-N 3.26Å; N237-A239 PolarHBondContact O-N 3.47Å; N237-M240 PolarHBondContact O-N 3.31Å; N237-M265 HydrophobicContact CB-CB 4.47Å; N237-M265 HydrophobicContact CB-CE 4.03Å; N237-M265 HydrophobicContact CB-CG 4.35Å; N237-M265 WeakPolarHBondContact O-CB 3.34Å
238	G	88.3	Confident	91.6	Very high	3 Å²	3	29.5 Å²	29.5	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-60	-33	178.7	0	0	0	0	0	114.1	M265 M266 Q269	G238-M265 VanDerWaalsContact CA-O 3.3Å; G238-M265 WeakPolarHBondContact CA-O 3.35Å; G238-M266 WeakPolarHBondContact O-CA 3.09Å; G238-Q269 WeakPolarHBondContact O-CG 3.41Å
239	A	89.3	Confident	91.8	Very high	14 Å²	14	25.7 Å²	25.7	12%	0.116	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	1.8	176.1	0	0	0	0	0	114	L235 N237 N241 L273 R277	L235-A239 WeakPolarHBondContact O-CB 3.49Å; L235-A239 PolarHBondContact O-N 3.23Å; N237-A239 VanDerWaalsContact C-N 3.26Å; N237-A239 PolarHBondContact O-N 3.47Å; A239-N241 VanDerWaalsContact CB-OD1 3.23Å; A239-N241 WeakPolarHBondContact CB-OD1 3.31Å; A239-N241 PolarHBondContact O-N 3.29Å; A239-L273 HydrophobicContact CB-CD2 4.3Å; A239-R277 WeakPolarHBondContact O-CD 3.49Å; A239-R277 PolarHBondContact O-NE 2.79Å
240	M	92.6	Very high	91.9	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	44.6	-172.8	-59.6	-175.4	72.9	0	0	113	V79 S236 N237 M242 L243 L263 M266 V281	V79-M240 HydrophobicContact CG2-CB 4.15Å; V79-M240 HydrophobicContact CG2-CE 3.68Å; V79-M240 HydrophobicContact CG2-CG 4.47Å; S236-M240 PolarHBondContact O-N 3.01Å; S236-M240 VanDerWaalsContact O-N 3.14Å; N237-M240 PolarHBondContact O-N 3.31Å; M240-M242 PolarHBondContact O-N 2.96Å; M240-L243 WeakPolarHBondContact O-CB 3.32Å; M240-L243 PolarHBondContact O-N 2.88Å; M240-L263 HydrophobicContact CE-CD2 3.76Å; M240-L263 HydrophobicContact SD-CD2 3.64Å; M240-M266 HydrophobicContact CG-CG 3.99Å; M240-M266 HydrophobicContact CG-SD 4.3Å; M240-M266 HydrophobicContact SD-CE 4Å; M240-M266 HydrophobicContact SD-CG 4.03Å; M240-M266 HydrophobicContact SD-SD 3.78Å; M240-V281 HydrophobicContact CE-CG2 4.42Å
241	N	92.6	Very high	91.9	Very high	71 Å²	71	33.8 Å²	33.8	38%	0.38	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.7	-171	-73.4	-21.3	0	0	0	114.7	S236 A239	S236-N241 PolarHBondContact O-N 3.11Å; A239-N241 VanDerWaalsContact CB-OD1 3.23Å; A239-N241 WeakPolarHBondContact CB-OD1 3.31Å; A239-N241 PolarHBondContact O-N 3.29Å
242	M	95.2	Very high	91.9	Very high	21 Å²	21	42.4 Å²	42.4	10%	0.103	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	5.5	-178.4	-55.1	-50.4	-67.9	0	0	113.2	V79 P180 S199 M240 V245 F246	V79-M242 HydrophobicContact CB-CB 4.31Å; P180-M242 HydrophobicContact CB-CG 4.46Å; S199-M242 VanDerWaalsContact CA-CE 3.44Å; S199-M242 WeakPolarHBondContact OG-CE 3.05Å; M240-M242 PolarHBondContact O-N 2.96Å; M242-V245 HydrophobicContact CE-CB 4.1Å; M242-V245 HydrophobicContact CE-CG1 4.29Å; M242-V245 HydrophobicContact CE-CG2 3.93Å; M242-V245 PolarHBondContact O-N 2.87Å; M242-F246 WeakPolarHBondContact O-CB 3.33Å; M242-F246 PolarHBondContact O-N 2.86Å
243	L	92.4	Very high	92.1	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-47.4	177.6	-178.7	63.4	0	0	0	111.6	M240 V245 F246 V247 L260 E280 V281	M240-L243 WeakPolarHBondContact O-CB 3.32Å; M240-L243 PolarHBondContact O-N 2.88Å; L243-V245 VanDerWaalsContact C-N 3.35Å; L243-V245 PolarHBondContact O-N 2.88Å; L243-F246 WeakPolarHBondContact O-CB 3.15Å; L243-F246 PolarHBondContact O-N 3.25Å; L243-V247 HydrophobicContact CD1-CG2 4.19Å; L243-V247 HydrophobicContact CG-CG2 4.5Å; L243-V247 WeakPolarHBondContact O-CG2 3.43Å; L243-V247 PolarHBondContact O-N 3.47Å; L243-L260 HydrophobicContact CD1-CD1 4.32Å; L243-E280 HydrophobicContact CD2-CB 4.13Å; L243-V281 HydrophobicContact CD1-CG2 4.11Å; L243-V281 HydrophobicContact CD2-CG2 3.51Å; L243-V281 HydrophobicContact CG-CG2 4.48Å
244	E	91.6	Very high	92.4	Very high	85 Å²	85	48.8 Å²	48.8	40%	0.397	25%	0.254	S	S	.	.	H	α-helix	trans	-64.1	-41.4	-178.2	-65	85.4	166.5	0	0	111.5	V247 S248 R277	E244-V247 PolarHBondContact O-N 2.89Å; E244-S248 WeakPolarHBondContact O-CB 3.1Å; E244-S248 PolarHBondContact O-N 3.4Å; E244-S248 PolarHBondContact O-OG 3.21Å; E244-R277 IonicContact OE1-CZ 3.64Å; E244-R277 IonicContact OE1-NH1 3.02Å; E244-R277 PolarHBondContact OE1-NH1 3.05Å; E244-R277 IonicContact OE1-NH2 2.8Å
245	V	94.5	Very high	92.8	Very high	31 Å²	31	48.6 Å²	48.6	19%	0.188	25%	0.253	C	S	.	.	H	α-helix	trans	-63.1	-47.8	175.5	177.3	0	0	0	0	110.5	E198 M242 L243 V247 S248 S249	E198-V245 HydrophobicContact CB-CG1 3.73Å; M242-V245 HydrophobicContact CE-CB 4.1Å; M242-V245 HydrophobicContact CE-CG1 4.29Å; M242-V245 HydrophobicContact CE-CG2 3.93Å; M242-V245 PolarHBondContact O-N 2.87Å; L243-V245 VanDerWaalsContact C-N 3.35Å; L243-V245 PolarHBondContact O-N 2.88Å; V245-V247 VanDerWaalsContact C-N 3.33Å; V245-V247 PolarHBondContact O-N 2.82Å; V245-S248 PolarHBondContact O-N 3.48Å; V245-S248 PolarHBondContact O-OG 3.12Å; V245-S249 PolarHBondContact O-N 3Å; V245-S249 VanDerWaalsContact O-N 3.13Å
246	F	95.4	Very high	93.2	Very high	5 Å²	5	46.6 Å²	46.6	2%	0.022	24%	0.243	C	C	.	.	H	α-helix	trans	-53.9	-50.6	177.1	178.9	-122.8	0	0	0	111.9	A76 V77 V79 L176 C178 M242 L243 S248 S249 L250 V258 L260	A76-F246 HydrophobicContact CB-CE2 3.89Å; A76-F246 HydrophobicContact CB-CZ 4.15Å; V77-F246 VanDerWaalsContact C-CE2 3.43Å; V77-F246 WeakPolarHBondContact O-CE2 3.29Å; V79-F246 HydrophobicContact CG1-CB 3.55Å; V79-F246 HydrophobicContact CG1-CD1 3.88Å; V79-F246 HydrophobicContact CG1-CG 3.77Å; L176-F246 HydrophobicContact CD2-CD2 4.08Å; L176-F246 HydrophobicContact CD2-CE2 4.05Å; C178-F246 HydrophobicContact CB-CB 3.65Å; C178-F246 HydrophobicContact CB-CD2 3.67Å; C178-F246 HydrophobicContact CB-CG 4.09Å; M242-F246 WeakPolarHBondContact O-CB 3.33Å; M242-F246 PolarHBondContact O-N 2.86Å; L243-F246 WeakPolarHBondContact O-CB 3.15Å; L243-F246 PolarHBondContact O-N 3.25Å; F246-S248 PolarHBondContact O-N 2.95Å; F246-S249 PolarHBondContact O-N 3.31Å; F246-S249 VanDerWaalsContact O-N 3.16Å; F246-S249 PolarHBondContact O-OG 3.02Å; F246-L250 HydrophobicContact CD2-CD2 4.24Å; F246-L250 HydrophobicContact CE1-CD2 4.42Å; F246-L250 HydrophobicContact CE2-CD2 3.88Å; F246-L250 HydrophobicContact CZ-CD2 3.99Å; F246-L250 WeakPolarHBondContact O-CG 3.32Å; F246-L250 PolarHBondContact O-N 3.19Å; F246-V258 HydrophobicContact CE1-CG1 4Å; F246-V258 HydrophobicContact CZ-CG1 3.86Å; F246-L260 HydrophobicContact CE1-CD1 4.29Å
247	V	89.6	Confident	93.6	Very high	33 Å²	33	45.6 Å²	45.6	20%	0.2	24%	0.236	C	C	.	.	H	α-helix	trans	-64.2	-43	-176.9	174	0	0	0	0	111.4	L243 E244 V245 S249 L250 S284	L243-V247 HydrophobicContact CD1-CG2 4.19Å; L243-V247 HydrophobicContact CG-CG2 4.5Å; L243-V247 WeakPolarHBondContact O-CG2 3.43Å; L243-V247 PolarHBondContact O-N 3.47Å; E244-V247 PolarHBondContact O-N 2.89Å; V245-V247 VanDerWaalsContact C-N 3.33Å; V245-V247 PolarHBondContact O-N 2.82Å; V247-S249 PolarHBondContact O-N 3.05Å; V247-L250 WeakPolarHBondContact O-CB 3.43Å; V247-L250 PolarHBondContact O-N 3.24Å; V247-L250 VanDerWaalsContact O-N 3.15Å; V247-S284 WeakPolarHBondContact CG2-OG 3.38Å
248	S	91.6	Very high	93.9	Very high	83 Å²	83	45.6 Å²	45.6	58%	0.58	24%	0.236	S	C	*	.	H	α-helix	trans	-61.4	-30	177.1	70.4	0	0	0	0	113.3	E244 V245 F246 L250	E244-S248 WeakPolarHBondContact O-CB 3.1Å; E244-S248 PolarHBondContact O-N 3.4Å; E244-S248 PolarHBondContact O-OG 3.21Å; V245-S248 PolarHBondContact O-N 3.48Å; V245-S248 PolarHBondContact O-OG 3.12Å; F246-S248 PolarHBondContact O-N 2.95Å; S248-L250 VanDerWaalsContact C-N 3.33Å; S248-L250 PolarHBondContact O-N 3.39Å
249	S	94.8	Very high	94.4	Very high	16 Å²	16	45.4 Å²	45.4	11%	0.112	24%	0.235	C	C	.	.	H	α-helix	trans	-76.7	-17.4	179.5	76.6	0	0	0	0	114	V245 F246 V247 E251 F253	V245-S249 PolarHBondContact O-N 3Å; V245-S249 VanDerWaalsContact O-N 3.13Å; F246-S249 PolarHBondContact O-N 3.31Å; F246-S249 VanDerWaalsContact O-N 3.16Å; F246-S249 PolarHBondContact O-OG 3.02Å; V247-S249 PolarHBondContact O-N 3.05Å; S249-E251 PolarHBondContact O-N 3.09Å; S249-F253 VanDerWaalsContact O-CB 3.28Å; S249-F253 WeakPolarHBondContact O-CB 3.48Å; S249-F253 PolarHBondContact O-N 2.92Å; S249-F253 VanDerWaalsContact O-N 3.08Å
250	L	93.6	Very high	94.7	Very high	18 Å²	18	45 Å²	45	9%	0.094	23%	0.231	C	C	.	.	H	α-helix	trans	-69.6	-33	-174.1	-56.4	-174.2	0	0	0	112.7	A76 F246 V247 S248 Q254 P255 V258 I288	A76-L250 HydrophobicContact CB-CD2 3.53Å; F246-L250 HydrophobicContact CD2-CD2 4.24Å; F246-L250 HydrophobicContact CE1-CD2 4.42Å; F246-L250 HydrophobicContact CE2-CD2 3.88Å; F246-L250 HydrophobicContact CZ-CD2 3.99Å; F246-L250 WeakPolarHBondContact O-CG 3.32Å; F246-L250 PolarHBondContact O-N 3.19Å; V247-L250 WeakPolarHBondContact O-CB 3.43Å; V247-L250 PolarHBondContact O-N 3.24Å; V247-L250 VanDerWaalsContact O-N 3.15Å; S248-L250 VanDerWaalsContact C-N 3.33Å; S248-L250 PolarHBondContact O-N 3.39Å; L250-Q254 PolarHBondContact O-N 2.99Å; L250-P255 HydrophobicContact CD2-CG 4.33Å; L250-P255 WeakPolarHBondContact O-CD 3.26Å; L250-V258 HydrophobicContact CD1-CG2 4.46Å; L250-I288 HydrophobicContact CD1-CD1 3.93Å; L250-I288 HydrophobicContact CD1-CG1 3.92Å
251	E	90.8	Very high	94.9	Very high	171 Å²	171	45 Å²	45	80%	0.799	23%	0.23	S	C	*	.	H	α-helix	trans	-64.2	-45.2	-179.2	-173.8	177.3	-175.6	0	0	111.5	S249 Q254	S249-E251 PolarHBondContact O-N 3.09Å; E251-Q254 VanDerWaalsContact O-CG 3.29Å; E251-Q254 WeakPolarHBondContact O-CG 3.35Å
252	E	94.3	Very high	94.9	Very high	182 Å²	182	41.7 Å²	41.7	85%	0.85	21%	0.213	S	C	*	.	H	α-helix	trans	-73.1	-42.3	177.7	-175.2	175.6	174.8	0	0	111.7	Q254	E252-Q254 PolarHBondContact O-N 3.47Å
253	F	97	Very high	94.8	Very high	32 Å²	32	40.8 Å²	40.8	14%	0.14	21%	0.208	C	C	.	.	H	α-helix	trans	-73.7	-27.3	-175.4	-173	-108.2	0	0	0	113.6	R74 V75 A76 K174 L176 S249 P255	R74-F253 HydrophobicContact CB-CD1 4.46Å; R74-F253 HydrophobicContact CB-CE1 3.72Å; R74-F253 HydrophobicContact CB-CZ 3.85Å; R74-F253 VanDerWaalsContact CD-O 3.28Å; R74-F253 WeakPolarHBondContact CD-O 3.33Å; R74-F253 HydrophobicContact CG-CE1 4.45Å; R74-F253 HydrophobicContact CG-CZ 4.17Å; R74-F253 PolarHBondContact NE-O 2.83Å; V75-F253 WeakPolarHBondContact O-CE1 3.09Å; A76-F253 HydrophobicContact CB-CD1 4.1Å; A76-F253 HydrophobicContact CB-CE1 4.24Å; K174-F253 HydrophobicContact CB-CZ 4.41Å; L176-F253 HydrophobicContact CB-CD1 3.81Å; L176-F253 HydrophobicContact CB-CD2 3.9Å; L176-F253 HydrophobicContact CB-CE1 3.62Å; L176-F253 HydrophobicContact CB-CE2 3.73Å; L176-F253 HydrophobicContact CB-CG 3.94Å; L176-F253 HydrophobicContact CB-CZ 3.58Å; L176-F253 HydrophobicContact CD1-CB 3.65Å; L176-F253 HydrophobicContact CD1-CD1 4.09Å; L176-F253 HydrophobicContact CD1-CD2 3.74Å; L176-F253 HydrophobicContact CD1-CE2 4.4Å; L176-F253 HydrophobicContact CD1-CG 3.55Å; L176-F253 HydrophobicContact CG-CD2 4.48Å; L176-F253 HydrophobicContact CG-CG 4.39Å; S249-F253 VanDerWaalsContact O-CB 3.28Å; S249-F253 WeakPolarHBondContact O-CB 3.48Å; S249-F253 PolarHBondContact O-N 2.92Å; S249-F253 VanDerWaalsContact O-N 3.08Å; F253-P255 HydrophobicContact CD1-CB 3.99Å; F253-P255 HydrophobicContact CE1-CB 4.24Å
254	Q	96.4	Very high	94.6	Very high	134 Å²	134	41.2 Å²	41.2	63%	0.626	21%	0.21	S	C	*	.			trans	49.5	62	179.9	-59.1	-172.7	-20.6	0	0	112.9	R74 L250 E251 E252	R74-Q254 PolarHBondContact NE-O 2.85Å; R74-Q254 PolarHBondContact NH2-O 3.3Å; L250-Q254 PolarHBondContact O-N 2.99Å; E251-Q254 VanDerWaalsContact O-CG 3.29Å; E251-Q254 WeakPolarHBondContact O-CG 3.35Å; E252-Q254 PolarHBondContact O-N 3.47Å
255	P	97.3	Very high	94.5	Very high	6 Å²	6	39.3 Å²	39.3	4%	0.039	20%	0.202	C	C	.	.			trans	-64.8	149.5	-175.9	27.8	-34.9	0	0	0	112.6	A76 L250 F253 L257 V258 I292	A76-P255 HydrophobicContact CB-CB 3.84Å; A76-P255 HydrophobicContact CB-CG 4.08Å; L250-P255 HydrophobicContact CD2-CG 4.33Å; L250-P255 WeakPolarHBondContact O-CD 3.26Å; F253-P255 HydrophobicContact CD1-CB 3.99Å; F253-P255 HydrophobicContact CE1-CB 4.24Å; P255-L257 WeakPolarHBondContact CB-O 3.23Å; P255-V258 HydrophobicContact CB-CG2 4.09Å; P255-V258 HydrophobicContact CG-CG2 3.58Å; P255-I292 WeakPolarHBondContact O-CD1 3.38Å
256	D	97.6	Very high	94.1	Very high	43 Å²	43	37.9 Å²	37.9	23%	0.23	19%	0.193	C	C	.	.	S	Bend	trans	-88.8	-15.8	168.4	-46.5	-51.2	0	0	0	111.7	W72 R73 R74 P293	W72-D256 HydrophobicContact CE3-CB 3.95Å; R73-D256 VanDerWaalsContact CA-OD2 3.31Å; R73-D256 WeakPolarHBondContact CA-OD2 3.41Å; R73-D256 VanDerWaalsContact CB-OD2 3.28Å; R73-D256 WeakPolarHBondContact CB-OD2 3.29Å; R73-D256 PolarHBondContact N-OD2 3.36Å; R74-D256 IonicContact CZ-OD1 3.18Å; R74-D256 PolarHBondContact N-OD2 3.44Å; R74-D256 IonicContact NH2-OD1 2.76Å; R74-D256 PolarHBondContact NH2-OD1 3.05Å; R74-D256 IonicContact NH2-OD2 3.54Å; R74-D256 PolarHBondContact O-N 3.23Å; D256-P293 VanDerWaalsContact O-CD 3.31Å; D256-P293 WeakPolarHBondContact O-CD 3.35Å
257	L	98.4	Very high	93.4	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	135.9	177.3	171.1	67.2	0	0	0	109	W72 R74 V75 A76 F167 P255 V259 P293 L488	W72-L257 HydrophobicContact CD2-CB 4.4Å; W72-L257 HydrophobicContact CE3-CB 4.43Å; R74-L257 PolarHBondContact O-N 3.4Å; V75-L257 WeakPolarHBondContact CA-O 3.38Å; V75-L257 HydrophobicContact CB-CB 4.49Å; V75-L257 HydrophobicContact CG2-CB 4.08Å; V75-L257 HydrophobicContact CG2-CD2 3.86Å; V75-L257 HydrophobicContact CG2-CG 3.91Å; V75-L257 WeakPolarHBondContact CG2-O 3.41Å; A76-L257 PolarHBondContact N-O 2.92Å; F167-L257 HydrophobicContact CZ-CD2 4.05Å; P255-L257 WeakPolarHBondContact CB-O 3.23Å; L257-V259 HydrophobicContact CD1-CG2 4.48Å; L257-V259 HydrophobicContact CD2-CG2 4.15Å; L257-V259 HydrophobicContact CG-CG2 4.06Å; L257-P293 HydrophobicContact CB-CG 4.47Å; L257-P293 HydrophobicContact CD1-CB 4.08Å; L257-P293 HydrophobicContact CD1-CG 3.8Å; L257-L488 HydrophobicContact CD1-CD2 4.4Å; L257-L488 HydrophobicContact CD2-CB 4.09Å; L257-L488 HydrophobicContact CD2-CD1 4.38Å; L257-L488 HydrophobicContact CD2-CD2 4.49Å
258	V	98.3	Very high	92.6	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	134.6	172.1	177.9	0	0	0	0	109.1	A76 F246 L250 P255 I288 I292 P293 V294 H295	A76-V258 CarbonylContact O-C 3.44Å; A76-V258 WeakPolarHBondContact O-CA 3.24Å; F246-V258 HydrophobicContact CE1-CG1 4Å; F246-V258 HydrophobicContact CZ-CG1 3.86Å; L250-V258 HydrophobicContact CD1-CG2 4.46Å; P255-V258 HydrophobicContact CB-CG2 4.09Å; P255-V258 HydrophobicContact CG-CG2 3.58Å; V258-I288 HydrophobicContact CB-CD1 4.34Å; V258-I288 HydrophobicContact CG1-CD1 4.17Å; V258-I288 HydrophobicContact CG2-CD1 4.07Å; V258-I292 HydrophobicContact CG2-CG2 4.11Å; V258-P293 PolarHBondContact N-O 3.25Å; V258-V294 HydrophobicContact CB-CG1 4.48Å; V258-V294 HydrophobicContact CB-CG2 4.25Å; V258-V294 HydrophobicContact CG1-CG1 4.33Å; V258-V294 CarbonylContact O-C 3.5Å; V258-V294 VanDerWaalsContact O-CA 3.32Å; V258-V294 WeakPolarHBondContact O-CA 3.48Å; V258-H295 PolarHBondContact O-N 3.37Å
259	V	98.5	Very high	92.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.8	176.1	-174.8	0	0	0	0	109.8	V75 A76 V77 G78 I163 F167 L257 H295 L488	V75-V259 HydrophobicContact CG2-CG2 4.15Å; A76-V259 PolarHBondContact O-N 2.9Å; V77-V259 CarbonylContact C-O 3.52Å; V77-V259 WeakPolarHBondContact CA-O 3.5Å; V77-V259 HydrophobicContact CG1-CB 4.11Å; V77-V259 HydrophobicContact CG1-CG1 4.37Å; V77-V259 HydrophobicContact CG2-CB 4.26Å; G78-V259 PolarHBondContact N-O 3.39Å; I163-V259 HydrophobicContact CD1-CG1 3.82Å; I163-V259 HydrophobicContact CG2-CB 4.39Å; I163-V259 HydrophobicContact CG2-CG1 3.98Å; F167-V259 HydrophobicContact CE2-CG2 4.07Å; L257-V259 HydrophobicContact CD1-CG2 4.48Å; L257-V259 HydrophobicContact CD2-CG2 4.15Å; L257-V259 HydrophobicContact CG-CG2 4.06Å; V259-H295 CarbonylContact C-O 3.59Å; V259-H295 WeakPolarHBondContact CA-O 3.43Å; V259-H295 HydrophobicContact CG1-CB 4.36Å; V259-H295 HydrophobicContact CG2-CB 4.22Å; V259-L488 HydrophobicContact CG2-CD1 3.98Å
260	L	97.1	Very high	91.9	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137.1	178.9	-168.2	71.9	0	0	0	110.4	G78 L243 F246 V281 H295 L296 E297	G78-L260 CarbonylContact O-C 3.48Å; G78-L260 WeakPolarHBondContact O-CA 3.26Å; L243-L260 HydrophobicContact CD1-CD1 4.32Å; F246-L260 HydrophobicContact CE1-CD1 4.29Å; L260-V281 HydrophobicContact CD2-CG1 3.5Å; L260-V281 VanDerWaalsContact CD2-CG1 3.5Å; L260-V281 HydrophobicContact CD2-CG2 4.3Å; L260-H295 PolarHBondContact N-O 3.32Å; L260-L296 HydrophobicContact CB-CD1 4.46Å; L260-L296 HydrophobicContact CD2-CD1 4.48Å; L260-L296 WeakPolarHBondContact O-CA 3.24Å; L260-E297 PolarHBondContact O-N 3.31Å
261	S	96.6	Very high	91.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.258	C	S	.	.			trans	-149.7	177.5	166.5	-160.8	0	0	0	0	110.7	G78 V79 N159 E297	G78-S261 PolarHBondContact O-N 3.1Å; V79-S261 PolarHBondContact N-O 3.12Å; N159-S261 VanDerWaalsContact CB-OG 3.26Å; N159-S261 WeakPolarHBondContact CB-OG 3.42Å; S261-E297 PolarHBondContact OG-O 2.82Å
262	G	92.9	Very high	91.5	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.01	25%	0.25	C	C	.	.			trans	98	-1.1	-178.9	0	0	0	0	0	115.2	N80 H264 M265	N80-G262 PolarHBondContact OD1-N 3.12Å; G262-H264 PolarHBondContact O-N 3.31Å; G262-M265 VanDerWaalsContact O-CB 3.26Å; G262-M265 WeakPolarHBondContact O-CB 3.43Å; G262-M265 PolarHBondContact O-N 2.95Å
263	L	92.6	Very high	91.2	Very high	2 Å²	2	41 Å²	41	1%	0.01	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-57.6	-34.3	178.5	-62.8	-174.7	0	0	0	112.9	M240 M265 M266 L278 V281 L296 I310 V315	M240-L263 HydrophobicContact CE-CD2 3.76Å; M240-L263 HydrophobicContact SD-CD2 3.64Å; L263-M265 PolarHBondContact O-N 3.38Å; L263-M266 HydrophobicContact CB-CE 4.18Å; L263-M266 HydrophobicContact CD2-CE 3.94Å; L263-M266 WeakPolarHBondContact O-CB 3.46Å; L263-M266 WeakPolarHBondContact O-CE 3.19Å; L263-M266 PolarHBondContact O-N 2.88Å; L263-L278 HydrophobicContact CD1-CD2 4.39Å; L263-L278 HydrophobicContact CD2-CD2 4.3Å; L263-V281 HydrophobicContact CD2-CG2 4.05Å; L263-L296 HydrophobicContact CD1-CD1 3.63Å; L263-L296 HydrophobicContact CD1-CD2 4Å; L263-L296 HydrophobicContact CD1-CG 4.47Å; L263-L296 HydrophobicContact CG-CD1 4.05Å; L263-I310 HydrophobicContact CB-CD1 4.04Å; L263-I310 HydrophobicContact CD1-CD1 4.14Å; L263-I310 HydrophobicContact CD1-CG1 4.22Å; L263-I310 HydrophobicContact CD1-CG2 4.33Å; L263-V315 HydrophobicContact CD1-CG1 4.14Å
264	H	87.8	Confident	90.8	Very high	14 Å²	14	40 Å²	40	7%	0.065	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-66.7	-25.5	178.4	60.1	-89.2	0	0	0	113	N159 G262 M266 E267 A299 M301	N159-H264 PolarHBondContact OD1-CE1 2.97Å; N159-H264 PolarHBondContact OD1-NE2 3.32Å; G262-H264 PolarHBondContact O-N 3.31Å; H264-M266 PolarHBondContact O-N 3.44Å; H264-E267 WeakPolarHBondContact O-CB 3.43Å; H264-E267 PolarHBondContact O-N 3.37Å; H264-A299 WeakPolarHBondContact CB-O 3.49Å; H264-A299 PolarHBondContact ND1-O 3.45Å; H264-M301 VanDerWaalsContact CA-SD 3.59Å; H264-M301 HydrophobicContact CB-CG 4.15Å; H264-M301 HydrophobicContact CB-SD 3.41Å; H264-M301 WeakPolarHBondContact CB-SD 3.39Å
265	M	88.9	Confident	90.4	Very high	44 Å²	44	40.2 Å²	40.2	22%	0.217	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-65.6	-19.3	177.1	-58.4	-65.6	-57.9	0	0	112	N80 N237 G238 G262 L263 E267	N80-M265 HydrophobicContact CB-CG 4.38Å; N237-M265 HydrophobicContact CB-CB 4.47Å; N237-M265 HydrophobicContact CB-CE 4.03Å; N237-M265 HydrophobicContact CB-CG 4.35Å; N237-M265 WeakPolarHBondContact O-CB 3.34Å; G238-M265 VanDerWaalsContact CA-O 3.3Å; G238-M265 WeakPolarHBondContact CA-O 3.35Å; G262-M265 VanDerWaalsContact O-CB 3.26Å; G262-M265 WeakPolarHBondContact O-CB 3.43Å; G262-M265 PolarHBondContact O-N 2.95Å; L263-M265 PolarHBondContact O-N 3.38Å; M265-E267 PolarHBondContact O-N 2.89Å
266	M	87.6	Confident	90.1	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-71.7	-6.4	173.2	-57.7	-171.8	-73	0	0	113.2	G238 M240 L263 H264 G268 Q269 Q274 R277 L278 L306	G238-M266 WeakPolarHBondContact O-CA 3.09Å; M240-M266 HydrophobicContact CG-CG 3.99Å; M240-M266 HydrophobicContact CG-SD 4.3Å; M240-M266 HydrophobicContact SD-CE 4Å; M240-M266 HydrophobicContact SD-CG 4.03Å; M240-M266 HydrophobicContact SD-SD 3.78Å; L263-M266 HydrophobicContact CB-CE 4.18Å; L263-M266 HydrophobicContact CD2-CE 3.94Å; L263-M266 WeakPolarHBondContact O-CB 3.46Å; L263-M266 WeakPolarHBondContact O-CE 3.19Å; L263-M266 PolarHBondContact O-N 2.88Å; H264-M266 PolarHBondContact O-N 3.44Å; M266-G268 PolarHBondContact O-N 3.29Å; M266-Q269 VanDerWaalsContact O-CB 3.23Å; M266-Q269 WeakPolarHBondContact O-CB 3.47Å; M266-Q269 WeakPolarHBondContact O-CG 3.48Å; M266-Q269 PolarHBondContact O-N 3.21Å; M266-Q274 HydrophobicContact CB-CG 4.04Å; M266-Q274 PolarHBondContact O-NE2 3.49Å; M266-R277 HydrophobicContact SD-CB 3.47Å; M266-R277 WeakPolarHBondContact SD-CB 3.23Å; M266-R277 HydrophobicContact SD-CG 4.05Å; M266-L278 HydrophobicContact CE-CD2 3.84Å; M266-L278 HydrophobicContact CE-CG 4.15Å; M266-L306 HydrophobicContact CE-CD1 4.41Å
267	E	79.9	Confident	89.7	Confident	56 Å²	56	43.6 Å²	43.6	26%	0.262	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	133.7	173	-172.2	157.8	-177.7	0	0	110.6	H264 M265 Q269 T302 N303 L306	H264-E267 WeakPolarHBondContact O-CB 3.43Å; H264-E267 PolarHBondContact O-N 3.37Å; M265-E267 PolarHBondContact O-N 2.89Å; E267-Q269 VanDerWaalsContact C-N 3.31Å; E267-Q269 PolarHBondContact O-N 3.1Å; E267-T302 WeakPolarHBondContact OE1-CB 3.21Å; E267-T302 PolarHBondContact OE1-OG1 2.99Å; E267-T302 PolarHBondContact OE2-N 3.17Å; E267-T302 PolarHBondContact OE2-OG1 3.33Å; E267-N303 VanDerWaalsContact CD-N 3.33Å; E267-N303 HydrophobicContact CG-CB 3.91Å; E267-N303 VanDerWaalsContact OE1-CB 3.32Å; E267-N303 WeakPolarHBondContact OE1-CB 3.49Å; E267-N303 PolarHBondContact OE1-N 3.34Å; E267-N303 PolarHBondContact OE2-N 2.84Å; E267-N303 VanDerWaalsContact OE2-N 3.16Å; E267-L306 HydrophobicContact CB-CD2 4.43Å
268	G	73.6	Confident	89.3	Confident	75 Å²	75	43.7 Å²	43.7	77%	0.773	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.2	-12.9	-172.4	0	0	0	0	0	115.2	M266	M266-G268 PolarHBondContact O-N 3.29Å
269	Q	83.3	Confident	88.9	Confident	68 Å²	68	48 Å²	48	32%	0.318	25%	0.246	S	C	.	.	S	Bend	trans	-74.9	166.9	170	-59.8	-59.6	-36.1	0	0	112.5	G238 M266 E267 L273 Q274	G238-Q269 WeakPolarHBondContact O-CG 3.41Å; M266-Q269 VanDerWaalsContact O-CB 3.23Å; M266-Q269 WeakPolarHBondContact O-CB 3.47Å; M266-Q269 WeakPolarHBondContact O-CG 3.48Å; M266-Q269 PolarHBondContact O-N 3.21Å; E267-Q269 VanDerWaalsContact C-N 3.31Å; E267-Q269 PolarHBondContact O-N 3.1Å; Q269-L273 HydrophobicContact CB-CD2 4.01Å; Q269-L273 HydrophobicContact CG-CD2 4.09Å; Q269-Q274 HydrophobicContact CB-CG 4.36Å; Q269-Q274 PolarHBondContact O-NE2 3Å
270	S	86.6	Confident	88.5	Confident	61 Å²	61	50.4 Å²	50.4	43%	0.427	26%	0.257	S	S	.	.			trans	-63.4	146.3	174.8	70.6	0	0	0	0	111.6	E272 L273 Q274	S270-E272 PolarHBondContact O-N 3.27Å; S270-L273 PolarHBondContact O-N 3.04Å; S270-L273 VanDerWaalsContact O-N 3.09Å; S270-L273 WeakPolarHBondContact OG-CB 3.43Å; S270-L273 PolarHBondContact OG-N 3.05Å; S270-Q274 WeakPolarHBondContact O-CG 3.39Å; S270-Q274 PolarHBondContact O-N 3.19Å
271	K	87.4	Confident	88.1	Confident	134 Å²	134	50.1 Å²	50.1	58%	0.583	26%	0.255	S	S	*	.	H	α-helix	trans	-60.7	-33	178.6	-67.7	-175.2	177.3	-174.7	0	111.5	R275	K271-R275 VanDerWaalsContact O-CB 3.32Å; K271-R275 WeakPolarHBondContact O-CB 3.26Å; K271-R275 PolarHBondContact O-N 3.1Å
272	E	89.2	Confident	87.7	Confident	136 Å²	136	51 Å²	51	64%	0.636	26%	0.26	S	S	*	.	H	α-helix	trans	-64.9	-42.8	175.8	-66.3	72.6	-161	0	0	111.7	S270 K276	S270-E272 PolarHBondContact O-N 3.27Å; E272-K276 VanDerWaalsContact O-CB 3.31Å; E272-K276 WeakPolarHBondContact O-CB 3.3Å; E272-K276 PolarHBondContact O-N 2.82Å
273	L	87.8	Confident	87.6	Confident	43 Å²	43	54 Å²	54	23%	0.225	28%	0.279	C	S	.	.	H	α-helix	trans	-66.3	-48	176.2	-176	66.1	0	0	0	110.6	A239 Q269 S270 R275 K276 R277	A239-L273 HydrophobicContact CB-CD2 4.3Å; Q269-L273 HydrophobicContact CB-CD2 4.01Å; Q269-L273 HydrophobicContact CG-CD2 4.09Å; S270-L273 PolarHBondContact O-N 3.04Å; S270-L273 VanDerWaalsContact O-N 3.09Å; S270-L273 WeakPolarHBondContact OG-CB 3.43Å; S270-L273 PolarHBondContact OG-N 3.05Å; L273-R275 PolarHBondContact O-N 3.14Å; L273-K276 PolarHBondContact O-N 2.96Å; L273-R277 HydrophobicContact CD1-CG 4.21Å; L273-R277 HydrophobicContact CG-CG 4.31Å; L273-R277 WeakPolarHBondContact O-CB 3.38Å; L273-R277 WeakPolarHBondContact O-CG 3.38Å; L273-R277 PolarHBondContact O-N 2.96Å
274	Q	89.4	Confident	87.2	Confident	13 Å²	13	54.8 Å²	54.8	6%	0.061	29%	0.285	C	S	.	.	H	α-helix	trans	-54.9	-50.7	176.8	-71.6	171.2	-5.5	0	0	111.3	M266 Q269 S270 K276 R277 L278 L306	M266-Q274 HydrophobicContact CB-CG 4.04Å; M266-Q274 PolarHBondContact O-NE2 3.49Å; Q269-Q274 HydrophobicContact CB-CG 4.36Å; Q269-Q274 PolarHBondContact O-NE2 3Å; S270-Q274 WeakPolarHBondContact O-CG 3.39Å; S270-Q274 PolarHBondContact O-N 3.19Å; Q274-K276 VanDerWaalsContact C-N 3.34Å; Q274-K276 PolarHBondContact O-N 3.28Å; Q274-R277 PolarHBondContact O-N 3.32Å; Q274-L278 WeakPolarHBondContact O-CB 3.48Å; Q274-L278 VanDerWaalsContact O-CG 3.28Å; Q274-L278 WeakPolarHBondContact O-CG 3.37Å; Q274-L278 PolarHBondContact O-N 3.17Å; Q274-L306 HydrophobicContact CB-CD1 4.16Å; Q274-L306 HydrophobicContact CG-CD1 4.14Å
275	R	88.5	Confident	87.2	Confident	137 Å²	137	55 Å²	55	52%	0.517	29%	0.286	S	S	.	.	H	α-helix	trans	-61.8	-41	178.8	-170	-161.2	63.1	70.9	1.8	112.1	K271 L273 L279	K271-R275 VanDerWaalsContact O-CB 3.32Å; K271-R275 WeakPolarHBondContact O-CB 3.26Å; K271-R275 PolarHBondContact O-N 3.1Å; L273-R275 PolarHBondContact O-N 3.14Å; R275-L279 PolarHBondContact O-N 3.41Å
276	K	89.3	Confident	87.1	Confident	100 Å²	100	57 Å²	57	44%	0.435	31%	0.305	S	S	.	.	H	α-helix	trans	-61.6	-50	176.8	178.9	-175.1	165.7	-172.3	0	110.6	E272 L273 Q274 L279 E280	E272-K276 VanDerWaalsContact O-CB 3.31Å; E272-K276 WeakPolarHBondContact O-CB 3.3Å; E272-K276 PolarHBondContact O-N 2.82Å; L273-K276 PolarHBondContact O-N 2.96Å; Q274-K276 VanDerWaalsContact C-N 3.34Å; Q274-K276 PolarHBondContact O-N 3.28Å; K276-L279 WeakPolarHBondContact O-CB 3.28Å; K276-L279 PolarHBondContact O-N 2.77Å; K276-E280 WeakPolarHBondContact CE-OE1 3.31Å; K276-E280 IonicContact NZ-OE1 2.79Å; K276-E280 WeakPolarHBondContact O-CG 3.28Å; K276-E280 PolarHBondContact O-N 3.4Å
277	R	89.8	Confident	87	Confident	21 Å²	21	62.7 Å²	62.7	8%	0.079	34%	0.335	C	S	.	.	H	α-helix	trans	-64.6	-42.2	-178.9	-71.5	-69.2	179.9	-132.5	18.5	112.7	A239 E244 M266 L273 Q274 L279 E280 V281	A239-R277 WeakPolarHBondContact O-CD 3.49Å; A239-R277 PolarHBondContact O-NE 2.79Å; E244-R277 IonicContact OE1-CZ 3.64Å; E244-R277 IonicContact OE1-NH1 3.02Å; E244-R277 PolarHBondContact OE1-NH1 3.05Å; E244-R277 IonicContact OE1-NH2 2.8Å; M266-R277 HydrophobicContact SD-CB 3.47Å; M266-R277 WeakPolarHBondContact SD-CB 3.23Å; M266-R277 HydrophobicContact SD-CG 4.05Å; L273-R277 HydrophobicContact CD1-CG 4.21Å; L273-R277 HydrophobicContact CG-CG 4.31Å; L273-R277 WeakPolarHBondContact O-CB 3.38Å; L273-R277 WeakPolarHBondContact O-CG 3.38Å; L273-R277 PolarHBondContact O-N 2.96Å; Q274-R277 PolarHBondContact O-N 3.32Å; R277-L279 VanDerWaalsContact C-N 3.29Å; R277-L279 PolarHBondContact O-N 3.39Å; R277-E280 WeakPolarHBondContact CD-OE2 3.33Å; R277-E280 IonicContact CZ-OE2 3.56Å; R277-E280 IonicContact NE-OE2 3.66Å; R277-E280 IonicContact NH1-OE1 3.27Å; R277-E280 IonicContact NH1-OE2 3.75Å; R277-E280 PolarHBondContact NH1-OE2 3.26Å; R277-E280 PolarHBondContact O-N 3.1Å; R277-V281 WeakPolarHBondContact O-CG2 3.49Å; R277-V281 PolarHBondContact O-N 3.21Å
278	L	90.9	Very high	87.3	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-60.4	-39.6	174.9	-69.7	174.9	0	0	0	112	L263 M266 Q274 V281 V282 L306 I310 V315	L263-L278 HydrophobicContact CD1-CD2 4.39Å; L263-L278 HydrophobicContact CD2-CD2 4.3Å; M266-L278 HydrophobicContact CE-CD2 3.84Å; M266-L278 HydrophobicContact CE-CG 4.15Å; Q274-L278 WeakPolarHBondContact O-CB 3.48Å; Q274-L278 VanDerWaalsContact O-CG 3.28Å; Q274-L278 WeakPolarHBondContact O-CG 3.37Å; Q274-L278 PolarHBondContact O-N 3.17Å; L278-V281 PolarHBondContact O-N 3.02Å; L278-V282 WeakPolarHBondContact O-CG2 3.28Å; L278-V282 PolarHBondContact O-N 3.06Å; L278-L306 HydrophobicContact CD1-CD1 4.15Å; L278-I310 HydrophobicContact CD1-CG1 4.5Å; L278-I310 HydrophobicContact CD2-CG1 3.85Å; L278-V315 HydrophobicContact CD2-CG2 3.89Å
279	L	89.6	Confident	87.8	Confident	94 Å²	94	61.9 Å²	61.9	49%	0.492	32%	0.319	S	S	.	.	H	α-helix	trans	-65.9	-41	175.7	-178.2	64.1	0	0	0	111.9	R275 K276 R277 V282 T283	R275-L279 PolarHBondContact O-N 3.41Å; K276-L279 WeakPolarHBondContact O-CB 3.28Å; K276-L279 PolarHBondContact O-N 2.77Å; R277-L279 VanDerWaalsContact C-N 3.29Å; R277-L279 PolarHBondContact O-N 3.39Å; L279-V282 PolarHBondContact O-N 2.83Å; L279-T283 WeakPolarHBondContact O-CB 3.49Å; L279-T283 PolarHBondContact O-N 3.46Å; L279-T283 PolarHBondContact O-OG1 3.39Å
280	E	88.8	Confident	87.9	Confident	50 Å²	50	65.9 Å²	65.9	23%	0.234	35%	0.348	C	S	.	.	H	α-helix	trans	-64.1	-41	176	-72.9	162.9	168.3	0	0	111.4	L243 K276 R277 T283 S284	L243-E280 HydrophobicContact CD2-CB 4.13Å; K276-E280 WeakPolarHBondContact CE-OE1 3.31Å; K276-E280 IonicContact NZ-OE1 2.79Å; K276-E280 WeakPolarHBondContact O-CG 3.28Å; K276-E280 PolarHBondContact O-N 3.4Å; R277-E280 WeakPolarHBondContact CD-OE2 3.33Å; R277-E280 IonicContact CZ-OE2 3.56Å; R277-E280 IonicContact NE-OE2 3.66Å; R277-E280 IonicContact NH1-OE1 3.27Å; R277-E280 IonicContact NH1-OE2 3.75Å; R277-E280 PolarHBondContact NH1-OE2 3.26Å; R277-E280 PolarHBondContact O-N 3.1Å; E280-T283 PolarHBondContact O-N 3.06Å; E280-S284 VanDerWaalsContact O-CB 3.25Å; E280-S284 WeakPolarHBondContact O-CB 3.48Å; E280-S284 PolarHBondContact O-N 2.88Å; E280-S284 PolarHBondContact O-OG 3.49Å
281	V	88.9	Confident	87.9	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.006	36%	0.355	C	S	.	.	H	α-helix	trans	-57.7	-51	172.9	167.4	0	0	0	0	110.9	M240 L243 L260 L263 R277 L278 T283 S284 I285	M240-V281 HydrophobicContact CE-CG2 4.42Å; L243-V281 HydrophobicContact CD1-CG2 4.11Å; L243-V281 HydrophobicContact CD2-CG2 3.51Å; L243-V281 HydrophobicContact CG-CG2 4.48Å; L260-V281 HydrophobicContact CD2-CG1 3.5Å; L260-V281 VanDerWaalsContact CD2-CG1 3.5Å; L260-V281 HydrophobicContact CD2-CG2 4.3Å; L263-V281 HydrophobicContact CD2-CG2 4.05Å; R277-V281 WeakPolarHBondContact O-CG2 3.49Å; R277-V281 PolarHBondContact O-N 3.21Å; L278-V281 PolarHBondContact O-N 3.02Å; V281-T283 PolarHBondContact O-N 3.49Å; V281-S284 PolarHBondContact O-N 2.76Å; V281-I285 HydrophobicContact CG1-CD1 3.71Å; V281-I285 HydrophobicContact CG1-CG1 4.48Å; V281-I285 VanDerWaalsContact O-CG1 3.28Å; V281-I285 WeakPolarHBondContact O-CG1 3.5Å; V281-I285 PolarHBondContact O-N 3.17Å
282	V	89.6	Confident	88.2	Confident	17 Å²	17	60.9 Å²	60.9	10%	0.103	34%	0.336	C	S	.	.	H	α-helix	trans	-63	-42.9	-179.4	172.1	0	0	0	0	111.4	L278 L279 S284 I285 S286 Q314 V315	L278-V282 WeakPolarHBondContact O-CG2 3.28Å; L278-V282 PolarHBondContact O-N 3.06Å; L279-V282 PolarHBondContact O-N 2.83Å; V282-S284 VanDerWaalsContact C-N 3.34Å; V282-S284 PolarHBondContact O-N 2.93Å; V282-I285 PolarHBondContact O-N 2.81Å; V282-S286 PolarHBondContact O-N 2.91Å; V282-Q314 HydrophobicContact CG1-CB 4.1Å; V282-Q314 HydrophobicContact CG2-CB 4.08Å; V282-V315 HydrophobicContact CG2-CG2 4.05Å
283	T	89.1	Confident	88.6	Confident	64 Å²	64	54.6 Å²	54.6	39%	0.393	31%	0.307	S	S	.	.	H	α-helix	trans	-60.9	-46.5	177	-54.1	0	0	0	0	110.5	L279 E280 V281 I285 S286 D287	L279-T283 WeakPolarHBondContact O-CB 3.49Å; L279-T283 PolarHBondContact O-N 3.46Å; L279-T283 PolarHBondContact O-OG1 3.39Å; E280-T283 PolarHBondContact O-N 3.06Å; V281-T283 PolarHBondContact O-N 3.49Å; T283-I285 VanDerWaalsContact C-N 3.34Å; T283-I285 PolarHBondContact O-N 3.08Å; T283-S286 PolarHBondContact O-N 2.81Å; T283-S286 PolarHBondContact O-OG 2.85Å; T283-D287 PolarHBondContact O-N 3.15Å; T283-D287 VanDerWaalsContact O-N 3.15Å
284	S	85.5	Confident	89	Confident	20 Å²	20	52.8 Å²	52.8	14%	0.14	30%	0.298	C	S	.	.	H	α-helix	trans	-63.9	-39.5	179.9	-57.2	0	0	0	0	112.5	V247 E280 V281 V282 S286 D287	V247-S284 WeakPolarHBondContact CG2-OG 3.38Å; E280-S284 VanDerWaalsContact O-CB 3.25Å; E280-S284 WeakPolarHBondContact O-CB 3.48Å; E280-S284 PolarHBondContact O-N 2.88Å; E280-S284 PolarHBondContact O-OG 3.49Å; V281-S284 PolarHBondContact O-N 2.76Å; V282-S284 VanDerWaalsContact C-N 3.34Å; V282-S284 PolarHBondContact O-N 2.93Å; S284-S286 VanDerWaalsContact C-N 3.28Å; S284-S286 PolarHBondContact O-N 3.45Å; S284-D287 PolarHBondContact O-N 3.49Å
285	I	87.8	Confident	89.4	Confident	18 Å²	18	52.2 Å²	52.2	9%	0.092	30%	0.295	C	S	.	.	H	α-helix	trans	-64	-37.3	174.4	-68.7	165.2	0	0	0	110.7	V281 V282 T283 D287 I288 V294 A318 V319	V281-I285 HydrophobicContact CG1-CD1 3.71Å; V281-I285 HydrophobicContact CG1-CG1 4.48Å; V281-I285 VanDerWaalsContact O-CG1 3.28Å; V281-I285 WeakPolarHBondContact O-CG1 3.5Å; V281-I285 PolarHBondContact O-N 3.17Å; V282-I285 PolarHBondContact O-N 2.81Å; T283-I285 VanDerWaalsContact C-N 3.34Å; T283-I285 PolarHBondContact O-N 3.08Å; I285-D287 PolarHBondContact O-N 2.71Å; I285-I288 WeakPolarHBondContact O-CB 3.35Å; I285-I288 PolarHBondContact O-N 3.49Å; I285-V294 HydrophobicContact CD1-CG1 4.36Å; I285-V294 HydrophobicContact CG1-CG1 4.33Å; I285-V294 HydrophobicContact CG2-CG2 4.06Å; I285-A318 HydrophobicContact CB-CB 4.28Å; I285-A318 HydrophobicContact CD1-CB 4.19Å; I285-A318 HydrophobicContact CG2-CB 3.83Å; I285-A318 WeakPolarHBondContact CG2-O 3.37Å; I285-V319 HydrophobicContact CD1-CG1 3.92Å
286	S	86.4	Confident	89.9	Confident	87 Å²	87	45.7 Å²	45.7	61%	0.608	27%	0.27	S	S	*	.	H	α-helix	trans	-69.3	-20.6	178.1	71.4	0	0	0	0	114.3	V282 T283 S284	V282-S286 PolarHBondContact O-N 2.91Å; T283-S286 PolarHBondContact O-N 2.81Å; T283-S286 PolarHBondContact O-OG 2.85Å; S284-S286 VanDerWaalsContact C-N 3.28Å; S284-S286 PolarHBondContact O-N 3.45Å
287	D	85.8	Confident	90.3	Very high	120 Å²	120	41.1 Å²	41.1	64%	0.642	25%	0.251	S	S	*	.	H	α-helix	trans	-82.4	-14.4	174.9	-65.7	-29.7	0	0	0	112.6	T283 S284 I285	T283-D287 PolarHBondContact O-N 3.15Å; T283-D287 VanDerWaalsContact O-N 3.15Å; S284-D287 PolarHBondContact O-N 3.49Å; I285-D287 PolarHBondContact O-N 2.71Å
288	I	86.4	Confident	90.5	Very high	23 Å²	23	40.2 Å²	40.2	12%	0.118	25%	0.248	C	C	.	.	S	Bend	trans	-68.7	134.1	174.8	-61.8	170.6	0	0	0	109.1	L250 V258 I285 T290 I292 V294	L250-I288 HydrophobicContact CD1-CD1 3.93Å; L250-I288 HydrophobicContact CD1-CG1 3.92Å; V258-I288 HydrophobicContact CB-CD1 4.34Å; V258-I288 HydrophobicContact CG1-CD1 4.17Å; V258-I288 HydrophobicContact CG2-CD1 4.07Å; I285-I288 WeakPolarHBondContact O-CB 3.35Å; I285-I288 PolarHBondContact O-N 3.49Å; I288-T290 PolarHBondContact O-N 3.13Å; I288-I292 HydrophobicContact CG2-CB 3.76Å; I288-I292 HydrophobicContact CG2-CD1 3.9Å; I288-I292 HydrophobicContact CG2-CG1 4.38Å; I288-I292 HydrophobicContact CG2-CG2 3.97Å; I288-V294 HydrophobicContact CD1-CG2 3.85Å
289	P	84.9	Confident	90.3	Very high	91 Å²	91	40.7 Å²	40.7	59%	0.591	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-49.7	136.3	176.8	-28.5	32.4	0	0	0	113.5	G291 I292	P289-G291 PolarHBondContact O-N 3.46Å; P289-I292 HydrophobicContact CB-CD1 3.81Å; P289-I292 HydrophobicContact CB-CG1 4.48Å; P289-I292 HydrophobicContact CG-CD1 3.94Å; P289-I292 PolarHBondContact O-N 2.66Å
290	T	84.6	Confident	89.9	Confident	151 Å²	151	40.3 Å²	40.3	93%	0.926	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	135.8	-178.4	52.5	0	0	0	0	111.5	I288	I288-T290 PolarHBondContact O-N 3.13Å
291	G	85.3	Confident	89.5	Confident	55 Å²	55	38.3 Å²	38.3	57%	0.567	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.2	-5	-179.8	0	0	0	0	0	115.3	P289 P293	P289-G291 PolarHBondContact O-N 3.46Å; G291-P293 WeakPolarHBondContact O-CD 3.18Å
292	I	94.4	Very high	89	Confident	35 Å²	35	43.2 Å²	43.2	18%	0.179	28%	0.277	C	S	.	.			trans	-79.1	119.5	166.3	-62.9	171	0	0	0	108.5	P255 V258 I288 P289	P255-I292 WeakPolarHBondContact O-CD1 3.38Å; V258-I292 HydrophobicContact CG2-CG2 4.11Å; I288-I292 HydrophobicContact CG2-CB 3.76Å; I288-I292 HydrophobicContact CG2-CD1 3.9Å; I288-I292 HydrophobicContact CG2-CG1 4.38Å; I288-I292 HydrophobicContact CG2-CG2 3.97Å; P289-I292 HydrophobicContact CB-CD1 3.81Å; P289-I292 HydrophobicContact CB-CG1 4.48Å; P289-I292 HydrophobicContact CG-CD1 3.94Å; P289-I292 PolarHBondContact O-N 2.66Å
293	P	96.9	Very high	88.8	Confident	4 Å²	4	44.2 Å²	44.2	3%	0.026	28%	0.282	C	S	.	.			trans	-66.6	135.1	176.6	27.3	-35.1	0	0	0	111.8	W72 D256 L257 V258 G291 T320 W396 V493	W72-P293 HydrophobicContact CH2-CG 4.09Å; W72-P293 HydrophobicContact CZ3-CG 4.18Å; D256-P293 VanDerWaalsContact O-CD 3.31Å; D256-P293 WeakPolarHBondContact O-CD 3.35Å; L257-P293 HydrophobicContact CB-CG 4.47Å; L257-P293 HydrophobicContact CD1-CB 4.08Å; L257-P293 HydrophobicContact CD1-CG 3.8Å; V258-P293 PolarHBondContact N-O 3.25Å; G291-P293 WeakPolarHBondContact O-CD 3.18Å; P293-T320 VanDerWaalsContact CA-OG1 3.28Å; P293-T320 WeakPolarHBondContact CA-OG1 3.38Å; P293-T320 HydrophobicContact CB-CG2 4.31Å; P293-T320 VanDerWaalsContact CB-OG1 3.25Å; P293-T320 WeakPolarHBondContact CB-OG1 3.46Å; P293-W396 HydrophobicContact CB-CH2 4.22Å; P293-V493 HydrophobicContact CB-CG2 4.04Å; P293-V493 HydrophobicContact CG-CG2 3.98Å
294	V	97.5	Very high	88.7	Confident	6 Å²	6	46.4 Å²	46.4	4%	0.036	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.3	168.1	-172.9	0	0	0	0	109.2	V258 I285 I288 V319 T320 S321	V258-V294 HydrophobicContact CB-CG1 4.48Å; V258-V294 HydrophobicContact CB-CG2 4.25Å; V258-V294 HydrophobicContact CG1-CG1 4.33Å; V258-V294 CarbonylContact O-C 3.5Å; V258-V294 VanDerWaalsContact O-CA 3.32Å; V258-V294 WeakPolarHBondContact O-CA 3.48Å; I285-V294 HydrophobicContact CD1-CG1 4.36Å; I285-V294 HydrophobicContact CG1-CG1 4.33Å; I285-V294 HydrophobicContact CG2-CG2 4.06Å; I288-V294 HydrophobicContact CD1-CG2 3.85Å; V294-V319 HydrophobicContact CB-CG1 4.42Å; V294-V319 HydrophobicContact CG1-CG1 3.99Å; V294-T320 PolarHBondContact N-OG1 3.16Å; V294-T320 PolarHBondContact O-N 3.31Å; V294-T320 PolarHBondContact O-OG1 3.46Å; V294-S321 PolarHBondContact O-N 3.04Å
295	H	98.5	Very high	88.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.5	172.7	-179	90	0	0	0	110.4	V258 V259 L260 E297 S321 G323 L488	V258-H295 PolarHBondContact O-N 3.37Å; V259-H295 CarbonylContact C-O 3.59Å; V259-H295 WeakPolarHBondContact CA-O 3.43Å; V259-H295 HydrophobicContact CG1-CB 4.36Å; V259-H295 HydrophobicContact CG2-CB 4.22Å; L260-H295 PolarHBondContact N-O 3.32Å; H295-E297 IonicContact NE2-OE2 3.23Å; H295-E297 PolarHBondContact NE2-OE2 3.39Å; H295-E297 VanDerWaalsContact NE2-OE2 3.14Å; H295-S321 CarbonylContact C-O 3.55Å; H295-S321 WeakPolarHBondContact CA-O 3.5Å; H295-S321 VanDerWaalsContact ND1-CB 3.33Å; H295-S321 WeakPolarHBondContact ND1-CB 3.33Å; H295-S321 PolarHBondContact ND1-OG 2.8Å; H295-G323 PolarHBondContact CE1-N 2.76Å; H295-G323 VanDerWaalsContact CE1-N 3.34Å; H295-L488 HydrophobicContact CB-CD1 3.88Å; H295-L488 HydrophobicContact CB-CD2 4.17Å
296	L	97.9	Very high	88.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119.5	169.8	176.4	65.5	0	0	0	109.9	L260 L263 L298 I310 V315 F316 V319 S321 L322 G323	L260-L296 HydrophobicContact CB-CD1 4.46Å; L260-L296 HydrophobicContact CD2-CD1 4.48Å; L260-L296 WeakPolarHBondContact O-CA 3.24Å; L263-L296 HydrophobicContact CD1-CD1 3.63Å; L263-L296 HydrophobicContact CD1-CD2 4Å; L263-L296 HydrophobicContact CD1-CG 4.47Å; L263-L296 HydrophobicContact CG-CD1 4.05Å; L296-L298 HydrophobicContact CD1-CD2 4.49Å; L296-L298 HydrophobicContact CD2-CD2 3.86Å; L296-L298 HydrophobicContact CD2-CG 4.25Å; L296-L298 HydrophobicContact CG-CD2 4.09Å; L296-L298 HydrophobicContact CG-CG 4.31Å; L296-I310 HydrophobicContact CD2-CG2 4.32Å; L296-V315 HydrophobicContact CD2-CG1 3.78Å; L296-F316 HydrophobicContact CD2-CE1 4.38Å; L296-V319 HydrophobicContact CB-CB 4.5Å; L296-V319 HydrophobicContact CB-CG1 4.16Å; L296-V319 HydrophobicContact CB-CG2 4.31Å; L296-S321 PolarHBondContact N-O 3.14Å; L296-L322 HydrophobicContact CB-CD1 4.33Å; L296-L322 HydrophobicContact CD2-CD1 4.2Å; L296-L322 HydrophobicContact CG-CD1 4.31Å; L296-L322 CarbonylContact O-C 3.53Å; L296-L322 WeakPolarHBondContact O-CA 3.47Å; L296-G323 PolarHBondContact O-N 3.12Å
297	E	98.1	Very high	89	Confident	5 Å²	5	45.3 Å²	45.3	2%	0.023	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	115	167.9	-171.6	70.7	-164.1	0	0	109	I163 L260 S261 H295 G323 H382 S484	I163-E297 HydrophobicContact CD1-CB 3.91Å; I163-E297 HydrophobicContact CD1-CG 4.2Å; L260-E297 PolarHBondContact O-N 3.31Å; S261-E297 PolarHBondContact OG-O 2.82Å; H295-E297 IonicContact NE2-OE2 3.23Å; H295-E297 PolarHBondContact NE2-OE2 3.39Å; H295-E297 VanDerWaalsContact NE2-OE2 3.14Å; E297-G323 WeakPolarHBondContact OE2-CA 3.36Å; E297-H382 IonicContact OE1-CE1 3.87Å; E297-H382 IonicContact OE1-NE2 3.47Å; E297-H382 PolarHBondContact OE1-NE2 3.1Å; E297-S484 VanDerWaalsContact CD-OG 3.31Å; E297-S484 PolarHBondContact OE1-OG 3.32Å; E297-S484 WeakPolarHBondContact OE2-CB 3.08Å; E297-S484 PolarHBondContact OE2-OG 3.16Å
298	L	93.4	Very high	89.1	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.01	25%	0.248	C	C	.	.			trans	-91.2	142.4	171.3	-67.9	-179	0	0	0	110.2	L296 M307 I310 F316 L322 G323 L324 E328	L296-L298 HydrophobicContact CD1-CD2 4.49Å; L296-L298 HydrophobicContact CD2-CD2 3.86Å; L296-L298 HydrophobicContact CD2-CG 4.25Å; L296-L298 HydrophobicContact CG-CD2 4.09Å; L296-L298 HydrophobicContact CG-CG 4.31Å; L298-M307 HydrophobicContact CD1-CE 4.44Å; L298-I310 HydrophobicContact CD2-CG2 4.36Å; L298-F316 HydrophobicContact CD1-CE1 4.14Å; L298-F316 HydrophobicContact CD1-CZ 4.11Å; L298-L322 HydrophobicContact CD1-CD1 3.73Å; L298-L322 HydrophobicContact CG-CD1 3.77Å; L298-G323 PolarHBondContact N-O 2.59Å; L298-L324 HydrophobicContact CB-CB 4.27Å; L298-L324 HydrophobicContact CD1-CD2 4.34Å; L298-E328 HydrophobicContact CB-CG 4.34Å
299	A	87.9	Confident	89.2	Confident	11 Å²	11	41.4 Å²	41.4	9%	0.091	25%	0.25	C	S	.	.			trans	-150.6	157.5	176.5	0	0	0	0	0	110	H264 M301	H264-A299 WeakPolarHBondContact CB-O 3.49Å; H264-A299 PolarHBondContact ND1-O 3.45Å; A299-M301 VanDerWaalsContact C-N 3.32Å; A299-M301 WeakPolarHBondContact O-CG 3.42Å; A299-M301 PolarHBondContact O-N 2.89Å
300	S	81.1	Confident	89.3	Confident	87 Å²	87	37 Å²	37	61%	0.608	22%	0.222	S	C	*	.			trans	43	47	164.1	-58.3	0	0	0	0	115.7	E328	S300-E328 WeakPolarHBondContact CA-OE1 3.22Å; S300-E328 PolarHBondContact N-OE1 3.18Å
301	M	79.4	Confident	89.4	Confident	8 Å²	8	30 Å²	30	4%	0.039	18%	0.179	C	C	.	.			trans	-91.2	123	-178.9	-69.3	-71.7	-61.9	0	0	111.4	H264 A299 L306 M307 I310 E328 F331	H264-M301 VanDerWaalsContact CA-SD 3.59Å; H264-M301 HydrophobicContact CB-CG 4.15Å; H264-M301 HydrophobicContact CB-SD 3.41Å; H264-M301 WeakPolarHBondContact CB-SD 3.39Å; A299-M301 VanDerWaalsContact C-N 3.32Å; A299-M301 WeakPolarHBondContact O-CG 3.42Å; A299-M301 PolarHBondContact O-N 2.89Å; M301-L306 HydrophobicContact CE-CB 4.25Å; M301-L306 HydrophobicContact CE-CD2 4.07Å; M301-L306 HydrophobicContact CE-CG 3.94Å; M301-M307 HydrophobicContact CB-CE 3.61Å; M301-M307 HydrophobicContact CE-CB 3.87Å; M301-M307 HydrophobicContact CE-CE 4.06Å; M301-M307 HydrophobicContact CE-SD 4.47Å; M301-M307 HydrophobicContact CG-CE 3.59Å; M301-I310 HydrophobicContact CE-CD1 3.67Å; M301-I310 HydrophobicContact SD-CD1 4.19Å; M301-E328 HydrophobicContact CB-CG 4.47Å; M301-E328 HydrophobicContact CG-CG 4.42Å; M301-F331 HydrophobicContact CB-CD1 3.94Å; M301-F331 HydrophobicContact CB-CE1 4.2Å; M301-F331 WeakPolarHBondContact O-CD1 3.37Å
302	T	79.6	Confident	88.9	Confident	103 Å²	103	32.4 Å²	32.4	63%	0.632	18%	0.175	S	C	*	.			trans	-122.9	-9.6	172.9	59.1	0	0	0	0	114.7	E267 F331	E267-T302 WeakPolarHBondContact OE1-CB 3.21Å; E267-T302 PolarHBondContact OE1-OG1 2.99Å; E267-T302 PolarHBondContact OE2-N 3.17Å; E267-T302 PolarHBondContact OE2-OG1 3.33Å; T302-F331 WeakPolarHBondContact O-CZ 3.47Å
303	N	84.6	Confident	87.5	Confident	38 Å²	38	34.7 Å²	34.7	20%	0.203	19%	0.185	C	C	.	.			trans	-93	115.5	178.2	-170.6	-65.3	0	0	0	112.6	E267 E305 L306 M307	E267-N303 VanDerWaalsContact CD-N 3.33Å; E267-N303 HydrophobicContact CG-CB 3.91Å; E267-N303 VanDerWaalsContact OE1-CB 3.32Å; E267-N303 WeakPolarHBondContact OE1-CB 3.49Å; E267-N303 PolarHBondContact OE1-N 3.34Å; E267-N303 PolarHBondContact OE2-N 2.84Å; E267-N303 VanDerWaalsContact OE2-N 3.16Å; N303-E305 WeakPolarHBondContact OD1-CB 3.34Å; N303-E305 PolarHBondContact OD1-N 2.82Å; N303-E305 PolarHBondContact OD1-OE2 3Å; N303-L306 HydrophobicContact CB-CB 3.95Å; N303-L306 PolarHBondContact O-N 3.45Å; N303-L306 PolarHBondContact OD1-N 3.3Å; N303-M307 WeakPolarHBondContact O-CB 3.28Å; N303-M307 PolarHBondContact O-N 2.94Å
304	R	87.7	Confident	86.2	Confident	110 Å²	110	40.2 Å²	40.2	42%	0.415	21%	0.21	S	C	.	.	H	α-helix	trans	-67.9	-39.9	-175.7	177	178.2	-72.3	-104	-5.5	111.9	S308 F331 Q334	R304-S308 WeakPolarHBondContact O-CB 3.37Å; R304-S308 PolarHBondContact O-N 3.45Å; R304-F331 HydrophobicContact CB-CZ 4.14Å; R304-Q334 PolarHBondContact NH1-O 2.88Å
305	E	87.5	Confident	85.7	Confident	101 Å²	101	39.9 Å²	39.9	47%	0.472	21%	0.209	S	C	.	.	H	α-helix	trans	-66.5	-39.5	178.9	-66.9	72.8	-162.7	0	0	111.6	N303 S309	N303-E305 WeakPolarHBondContact OD1-CB 3.34Å; N303-E305 PolarHBondContact OD1-N 2.82Å; N303-E305 PolarHBondContact OD1-OE2 3Å; E305-S309 WeakPolarHBondContact O-CB 3.43Å; E305-S309 PolarHBondContact O-N 2.88Å; E305-S309 PolarHBondContact O-OG 3.23Å
306	L	88.6	Confident	85.4	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-67.8	-47.1	175.6	-176.4	61	0	0	0	110.8	M266 E267 Q274 L278 M301 N303 S308 S309 I310	M266-L306 HydrophobicContact CE-CD1 4.41Å; E267-L306 HydrophobicContact CB-CD2 4.43Å; Q274-L306 HydrophobicContact CB-CD1 4.16Å; Q274-L306 HydrophobicContact CG-CD1 4.14Å; L278-L306 HydrophobicContact CD1-CD1 4.15Å; M301-L306 HydrophobicContact CE-CB 4.25Å; M301-L306 HydrophobicContact CE-CD2 4.07Å; M301-L306 HydrophobicContact CE-CG 3.94Å; N303-L306 HydrophobicContact CB-CB 3.95Å; N303-L306 PolarHBondContact O-N 3.45Å; N303-L306 PolarHBondContact OD1-N 3.3Å; L306-S308 VanDerWaalsContact C-N 3.34Å; L306-S308 PolarHBondContact O-N 3.48Å; L306-S309 CarbonylContact O-C 3.57Å; L306-S309 WeakPolarHBondContact O-CA 3.47Å; L306-S309 WeakPolarHBondContact O-CB 3.07Å; L306-S309 PolarHBondContact O-N 2.81Å; L306-I310 HydrophobicContact CD1-CD1 4.49Å; L306-I310 HydrophobicContact CG-CD1 4.15Å; L306-I310 WeakPolarHBondContact O-CG1 3.26Å; L306-I310 PolarHBondContact O-N 3.14Å
307	M	90.1	Very high	85	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-58.1	-47	174.8	178.4	59.2	80.9	0	0	111.4	L298 M301 N303 S309 I310 V311 F331 L332	L298-M307 HydrophobicContact CD1-CE 4.44Å; M301-M307 HydrophobicContact CB-CE 3.61Å; M301-M307 HydrophobicContact CE-CB 3.87Å; M301-M307 HydrophobicContact CE-CE 4.06Å; M301-M307 HydrophobicContact CE-SD 4.47Å; M301-M307 HydrophobicContact CG-CE 3.59Å; N303-M307 WeakPolarHBondContact O-CB 3.28Å; N303-M307 PolarHBondContact O-N 2.94Å; M307-S309 VanDerWaalsContact C-N 3.25Å; M307-S309 PolarHBondContact O-N 2.97Å; M307-I310 PolarHBondContact O-N 3.27Å; M307-V311 WeakPolarHBondContact O-CG2 3.48Å; M307-V311 PolarHBondContact O-N 2.8Å; M307-V311 HydrophobicContact SD-CG2 4.14Å; M307-F331 HydrophobicContact CB-CD1 4.11Å; M307-F331 HydrophobicContact CB-CE1 3.74Å; M307-F331 HydrophobicContact CE-CD1 3.84Å; M307-F331 HydrophobicContact CG-CD1 4.1Å; M307-F331 HydrophobicContact CG-CE1 4.22Å; M307-L332 HydrophobicContact CE-CB 4.42Å; M307-L332 HydrophobicContact SD-CB 4.21Å; M307-L332 HydrophobicContact SD-CD1 4.41Å; M307-L332 HydrophobicContact SD-CG 4.18Å
308	S	87.4	Confident	84.7	Confident	39 Å²	39	42.2 Å²	42.2	27%	0.273	23%	0.226	S	C	.	.	H	α-helix	trans	-58.1	-40	174.4	-173.6	0	0	0	0	111.2	R304 L306 V311 H312	R304-S308 WeakPolarHBondContact O-CB 3.37Å; R304-S308 PolarHBondContact O-N 3.45Å; L306-S308 VanDerWaalsContact C-N 3.34Å; L306-S308 PolarHBondContact O-N 3.48Å; S308-V311 PolarHBondContact O-N 2.75Å; S308-H312 VanDerWaalsContact O-CB 3.27Å; S308-H312 WeakPolarHBondContact O-CB 3.43Å; S308-H312 PolarHBondContact O-CD2 3.23Å; S308-H312 PolarHBondContact O-N 2.78Å; S308-H312 PolarHBondContact OG-CD2 3.32Å; S308-H312 VanDerWaalsContact OG-CD2 3.32Å
309	S	87.7	Confident	84.8	Confident	22 Å²	22	42.1 Å²	42.1	15%	0.154	23%	0.225	C	C	.	.	H	α-helix	trans	-67.8	-40.8	176.2	-59.9	0	0	0	0	112.3	E305 L306 M307 V311 Q313	E305-S309 WeakPolarHBondContact O-CB 3.43Å; E305-S309 PolarHBondContact O-N 2.88Å; E305-S309 PolarHBondContact O-OG 3.23Å; L306-S309 CarbonylContact O-C 3.57Å; L306-S309 WeakPolarHBondContact O-CA 3.47Å; L306-S309 WeakPolarHBondContact O-CB 3.07Å; L306-S309 PolarHBondContact O-N 2.81Å; M307-S309 VanDerWaalsContact C-N 3.25Å; M307-S309 PolarHBondContact O-N 2.97Å; S309-V311 VanDerWaalsContact C-N 3.33Å; S309-V311 PolarHBondContact O-N 3.06Å; S309-Q313 WeakPolarHBondContact O-CA 3.37Å; S309-Q313 WeakPolarHBondContact O-CB 3.49Å; S309-Q313 PolarHBondContact O-N 3.21Å; S309-Q313 PolarHBondContact OG-NE2 2.99Å
310	I	88.1	Confident	85.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-42.3	175.9	-68.3	168.2	0	0	0	110.8	L263 L278 L296 L298 M301 L306 M307 V315 F316	L263-I310 HydrophobicContact CB-CD1 4.04Å; L263-I310 HydrophobicContact CD1-CD1 4.14Å; L263-I310 HydrophobicContact CD1-CG1 4.22Å; L263-I310 HydrophobicContact CD1-CG2 4.33Å; L278-I310 HydrophobicContact CD1-CG1 4.5Å; L278-I310 HydrophobicContact CD2-CG1 3.85Å; L296-I310 HydrophobicContact CD2-CG2 4.32Å; L298-I310 HydrophobicContact CD2-CG2 4.36Å; M301-I310 HydrophobicContact CE-CD1 3.67Å; M301-I310 HydrophobicContact SD-CD1 4.19Å; L306-I310 HydrophobicContact CD1-CD1 4.49Å; L306-I310 HydrophobicContact CG-CD1 4.15Å; L306-I310 WeakPolarHBondContact O-CG1 3.26Å; L306-I310 PolarHBondContact O-N 3.14Å; M307-I310 PolarHBondContact O-N 3.27Å; I310-V315 HydrophobicContact CG2-CB 4.22Å; I310-V315 HydrophobicContact CG2-CG1 4.49Å; I310-V315 WeakPolarHBondContact O-CB 3.34Å; I310-F316 HydrophobicContact CG2-CD1 4.01Å; I310-F316 HydrophobicContact CG2-CE1 3.73Å
311	V	85.1	Confident	86.1	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.018	20%	0.198	C	C	.	.	H	α-helix	trans	-71.9	-45.7	180	175.2	0	0	0	0	112	M307 S308 S309 F316 L332 H366	M307-V311 WeakPolarHBondContact O-CG2 3.48Å; M307-V311 PolarHBondContact O-N 2.8Å; M307-V311 HydrophobicContact SD-CG2 4.14Å; S308-V311 PolarHBondContact O-N 2.75Å; S309-V311 VanDerWaalsContact C-N 3.33Å; S309-V311 PolarHBondContact O-N 3.06Å; V311-F316 HydrophobicContact CG2-CD2 4.44Å; V311-F316 HydrophobicContact CG2-CE1 4.31Å; V311-F316 HydrophobicContact CG2-CE2 4.01Å; V311-F316 HydrophobicContact CG2-CZ 3.94Å; V311-L332 HydrophobicContact CG2-CD1 4.22Å; V311-L332 HydrophobicContact CG2-CG 4.03Å; V311-H366 WeakPolarHBondContact CG1-CE1 3.3Å
312	H	75.5	Confident	87	Confident	106 Å²	106	38.1 Å²	38.1	49%	0.491	20%	0.196	S	C	.	.	H	α-helix	trans	-96.9	-31.4	-172.2	-64.1	-68.6	0	0	0	114.7	S308 Q314	S308-H312 VanDerWaalsContact O-CB 3.27Å; S308-H312 WeakPolarHBondContact O-CB 3.43Å; S308-H312 PolarHBondContact O-CD2 3.23Å; S308-H312 PolarHBondContact O-N 2.78Å; S308-H312 PolarHBondContact OG-CD2 3.32Å; S308-H312 VanDerWaalsContact OG-CD2 3.32Å; H312-Q314 PolarHBondContact O-N 3.48Å; H312-Q314 VanDerWaalsContact O-N 3.11Å
313	Q	65.8	Low	87.9	Confident	83 Å²	83	33.2 Å²	33.2	39%	0.388	17%	0.166	S	C	.	.	S	Bend	trans	-87	45.2	179.3	-54.2	177.4	0.1	0	0	112.2	S309 V315	S309-Q313 WeakPolarHBondContact O-CA 3.37Å; S309-Q313 WeakPolarHBondContact O-CB 3.49Å; S309-Q313 PolarHBondContact O-N 3.21Å; S309-Q313 PolarHBondContact OG-NE2 2.99Å; Q313-V315 PolarHBondContact O-N 3.39Å
314	Q	69.8	Low	88.5	Confident	119 Å²	119	31.4 Å²	31.4	56%	0.556	16%	0.156	S	C	*	.	S	Bend	trans	75.3	-2.3	162.1	-50	-178.4	15.6	0	0	118.8	V282 H312 P317 A318	V282-Q314 HydrophobicContact CG1-CB 4.1Å; V282-Q314 HydrophobicContact CG2-CB 4.08Å; H312-Q314 PolarHBondContact O-N 3.48Å; H312-Q314 VanDerWaalsContact O-N 3.11Å; Q314-P317 WeakPolarHBondContact O-CD 3.41Å; Q314-A318 WeakPolarHBondContact O-CB 2.94Å; Q314-A318 PolarHBondContact O-N 2.92Å
315	V	86.9	Confident	89	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65	-48.8	176.1	-173.2	0	0	0	0	111.2	L263 L278 V282 L296 I310 Q313 A318 V319	L263-V315 HydrophobicContact CD1-CG1 4.14Å; L278-V315 HydrophobicContact CD2-CG2 3.89Å; V282-V315 HydrophobicContact CG2-CG2 4.05Å; L296-V315 HydrophobicContact CD2-CG1 3.78Å; I310-V315 HydrophobicContact CG2-CB 4.22Å; I310-V315 HydrophobicContact CG2-CG1 4.49Å; I310-V315 WeakPolarHBondContact O-CB 3.34Å; Q313-V315 PolarHBondContact O-N 3.39Å; V315-A318 PolarHBondContact O-N 2.96Å; V315-V319 HydrophobicContact CG1-CG1 4.38Å; V315-V319 PolarHBondContact O-N 3.35Å
316	F	90.9	Very high	89.3	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-57.2	-47.5	178.8	-87.2	34.2	0	0	0	112.7	L296 L298 I310 V311 A318 V319 L322 L332 I362 H366 L376	L296-F316 HydrophobicContact CD2-CE1 4.38Å; L298-F316 HydrophobicContact CD1-CE1 4.14Å; L298-F316 HydrophobicContact CD1-CZ 4.11Å; I310-F316 HydrophobicContact CG2-CD1 4.01Å; I310-F316 HydrophobicContact CG2-CE1 3.73Å; V311-F316 HydrophobicContact CG2-CD2 4.44Å; V311-F316 HydrophobicContact CG2-CE1 4.31Å; V311-F316 HydrophobicContact CG2-CE2 4.01Å; V311-F316 HydrophobicContact CG2-CZ 3.94Å; F316-A318 PolarHBondContact O-N 3.41Å; F316-V319 PolarHBondContact O-N 3.34Å; F316-L322 HydrophobicContact CE1-CD1 4.08Å; F316-L322 HydrophobicContact CE1-CD2 4.34Å; F316-L322 HydrophobicContact CE2-CD2 3.83Å; F316-L322 HydrophobicContact CZ-CD1 4.1Å; F316-L322 HydrophobicContact CZ-CD2 3.6Å; F316-L332 HydrophobicContact CE2-CD1 3.81Å; F316-L332 HydrophobicContact CZ-CD1 3.64Å; F316-I362 HydrophobicContact CD2-CG2 4.34Å; F316-I362 HydrophobicContact CE2-CG2 4.02Å; F316-H366 HydrophobicContact CD2-CB 4.1Å; F316-L376 HydrophobicContact CD2-CD2 4.02Å; F316-L376 HydrophobicContact CG-CD2 4.48Å
317	P	90.4	Very high	89.4	Confident	35 Å²	35	30.8 Å²	30.8	23%	0.227	16%	0.159	C	C	.	.	H	α-helix	trans	-57.3	-30.1	172.4	-29.7	35	0	0	0	115.8	Q314 D375	Q314-P317 WeakPolarHBondContact O-CD 3.41Å; P317-D375 PolarHBondContact O-N 3.45Å
318	A	92.2	Very high	89.6	Confident	19 Å²	19	31 Å²	31	16%	0.157	16%	0.161	C	C	.	.	H	α-helix	trans	-83.3	-19.5	-176.5	0	0	0	0	0	113.5	I285 Q314 V315 F316	I285-A318 HydrophobicContact CB-CB 4.28Å; I285-A318 HydrophobicContact CD1-CB 4.19Å; I285-A318 HydrophobicContact CG2-CB 3.83Å; I285-A318 WeakPolarHBondContact CG2-O 3.37Å; Q314-A318 WeakPolarHBondContact O-CB 2.94Å; Q314-A318 PolarHBondContact O-N 2.92Å; V315-A318 PolarHBondContact O-N 2.96Å; F316-A318 PolarHBondContact O-N 3.41Å
319	V	95.1	Very high	90.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.			trans	-101.6	147.8	-176.5	-59.3	0	0	0	0	111.8	I285 V294 L296 V315 F316 D375 L376	I285-V319 HydrophobicContact CD1-CG1 3.92Å; V294-V319 HydrophobicContact CB-CG1 4.42Å; V294-V319 HydrophobicContact CG1-CG1 3.99Å; L296-V319 HydrophobicContact CB-CB 4.5Å; L296-V319 HydrophobicContact CB-CG1 4.16Å; L296-V319 HydrophobicContact CB-CG2 4.31Å; V315-V319 HydrophobicContact CG1-CG1 4.38Å; V315-V319 PolarHBondContact O-N 3.35Å; F316-V319 PolarHBondContact O-N 3.34Å; V319-D375 CarbonylContact O-C 3.58Å; V319-D375 VanDerWaalsContact O-C 3.26Å; V319-L376 HydrophobicContact CG2-CD1 4.49Å; V319-L376 WeakPolarHBondContact O-CA 3.43Å; V319-L376 WeakPolarHBondContact O-CB 3.42Å; V319-L376 PolarHBondContact O-N 2.95Å
320	T	97	Very high	90.4	Very high	20 Å²	20	28.6 Å²	28.6	12%	0.123	14%	0.143	C	C	.	.	S	Bend	trans	-85.9	-27.6	177.8	61.6	0	0	0	0	113.5	P293 V294 D375 T377 R378	P293-T320 VanDerWaalsContact CA-OG1 3.28Å; P293-T320 WeakPolarHBondContact CA-OG1 3.38Å; P293-T320 HydrophobicContact CB-CG2 4.31Å; P293-T320 VanDerWaalsContact CB-OG1 3.25Å; P293-T320 WeakPolarHBondContact CB-OG1 3.46Å; V294-T320 PolarHBondContact N-OG1 3.16Å; V294-T320 PolarHBondContact O-N 3.31Å; V294-T320 PolarHBondContact O-OG1 3.46Å; T320-D375 WeakPolarHBondContact CA-O 3.23Å; T320-D375 HydrophobicContact CG2-CB 4.14Å; T320-T377 PolarHBondContact O-N 3.25Å; T320-T377 PolarHBondContact O-OG1 3.03Å; T320-R378 PolarHBondContact O-N 3.26Å
321	S	98.6	Very high	90.7	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	149.1	-175.7	-175.7	0	0	0	0	111.8	V294 H295 L296 R378	V294-S321 PolarHBondContact O-N 3.04Å; H295-S321 CarbonylContact C-O 3.55Å; H295-S321 WeakPolarHBondContact CA-O 3.5Å; H295-S321 VanDerWaalsContact ND1-CB 3.33Å; H295-S321 WeakPolarHBondContact ND1-CB 3.33Å; H295-S321 PolarHBondContact ND1-OG 2.8Å; L296-S321 PolarHBondContact N-O 3.14Å; S321-R378 CarbonylContact C-O 3.55Å; S321-R378 VanDerWaalsContact CA-O 3.23Å; S321-R378 WeakPolarHBondContact CA-O 3.36Å; S321-R378 WeakPolarHBondContact OG-CD 3.23Å; S321-R378 WeakPolarHBondContact OG-CG 3.33Å; S321-R378 PolarHBondContact OG-NH1 3.32Å
322	L	98.4	Very high	91.1	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	145.6	174.3	-175.2	64.3	0	0	0	110.3	L296 L298 F316 L324 L376 R378 I379 H380	L296-L322 HydrophobicContact CB-CD1 4.33Å; L296-L322 HydrophobicContact CD2-CD1 4.2Å; L296-L322 HydrophobicContact CG-CD1 4.31Å; L296-L322 CarbonylContact O-C 3.53Å; L296-L322 WeakPolarHBondContact O-CA 3.47Å; L298-L322 HydrophobicContact CD1-CD1 3.73Å; L298-L322 HydrophobicContact CG-CD1 3.77Å; F316-L322 HydrophobicContact CE1-CD1 4.08Å; F316-L322 HydrophobicContact CE1-CD2 4.34Å; F316-L322 HydrophobicContact CE2-CD2 3.83Å; F316-L322 HydrophobicContact CZ-CD1 4.1Å; F316-L322 HydrophobicContact CZ-CD2 3.6Å; L322-L324 HydrophobicContact CD1-CD2 4.39Å; L322-L324 HydrophobicContact CD2-CD2 3.46Å; L322-L324 VanDerWaalsContact CD2-CD2 3.46Å; L322-L324 HydrophobicContact CG-CD2 3.76Å; L322-L324 HydrophobicContact CG-CG 4.48Å; L322-L376 HydrophobicContact CB-CD1 4.06Å; L322-R378 PolarHBondContact N-O 2.82Å; L322-I379 HydrophobicContact CB-CG1 4.26Å; L322-I379 HydrophobicContact CB-CG2 4.26Å; L322-I379 HydrophobicContact CD2-CG1 4.48Å; L322-I379 HydrophobicContact CD2-CG2 4.3Å; L322-I379 HydrophobicContact CG-CG2 4.42Å; L322-I379 CarbonylContact O-C 3.57Å; L322-I379 WeakPolarHBondContact O-CA 3.37Å; L322-H380 PolarHBondContact O-N 3.3Å
323	G	98.5	Very high	92	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	136.9	168.5	0	0	0	0	0	110.1	H295 L296 E297 L298 H380	H295-G323 PolarHBondContact CE1-N 2.76Å; H295-G323 VanDerWaalsContact CE1-N 3.34Å; L296-G323 PolarHBondContact O-N 3.12Å; E297-G323 WeakPolarHBondContact OE2-CA 3.36Å; L298-G323 PolarHBondContact N-O 2.59Å; G323-H380 WeakPolarHBondContact CA-O 3.37Å
324	L	97.8	Very high	93.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	162.4	-177.3	55.3	86.6	0	0	0	112.2	L298 L322 E328 L329 H380 F381 H382	L298-L324 HydrophobicContact CB-CB 4.27Å; L298-L324 HydrophobicContact CD1-CD2 4.34Å; L322-L324 HydrophobicContact CD1-CD2 4.39Å; L322-L324 HydrophobicContact CD2-CD2 3.46Å; L322-L324 VanDerWaalsContact CD2-CD2 3.46Å; L322-L324 HydrophobicContact CG-CD2 3.76Å; L322-L324 HydrophobicContact CG-CG 4.48Å; L324-E328 HydrophobicContact CB-CB 3.89Å; L324-L329 HydrophobicContact CD1-CB 3.59Å; L324-L329 HydrophobicContact CD1-CD1 3.86Å; L324-L329 HydrophobicContact CD1-CG 4.25Å; L324-H380 PolarHBondContact N-O 2.75Å; L324-F381 HydrophobicContact CD1-CD2 3.94Å; L324-F381 WeakPolarHBondContact O-CA 3.5Å; L324-H382 PolarHBondContact O-N 2.63Å; L324-H382 VanDerWaalsContact O-N 3.14Å
325	N	96.8	Very high	94.4	Very high	34 Å²	34	17.5 Å²	17.5	18%	0.182	9%	0.092	C	C	.	.			trans	-102.9	-172.5	174.7	74.2	38.9	0	0	0	113.6	Q327 E328 L329 H382	N325-Q327 PolarHBondContact O-N 3.34Å; N325-Q327 WeakPolarHBondContact OD1-CA 3.49Å; N325-Q327 VanDerWaalsContact OD1-CB 3.31Å; N325-Q327 WeakPolarHBondContact OD1-CB 3.34Å; N325-Q327 PolarHBondContact OD1-N 3.4Å; N325-E328 PolarHBondContact ND2-OE2 3.3Å; N325-E328 PolarHBondContact OD1-N 3.4Å; N325-E328 PolarHBondContact OD1-OE2 3.26Å; N325-L329 VanDerWaalsContact O-CB 3.31Å; N325-L329 WeakPolarHBondContact O-CB 3.38Å; N325-L329 PolarHBondContact O-N 2.95Å; N325-H382 WeakPolarHBondContact CA-O 3.38Å; N325-H382 WeakPolarHBondContact CB-O 3.47Å
326	E	95.5	Very high	94.5	Very high	40 Å²	40	18.4 Å²	18.4	19%	0.187	10%	0.099	C	C	.	.	H	α-helix	trans	-63.5	-33.2	179.9	75.4	-73.9	165.6	0	0	115.2	L330 W346 P350 F381 T383	E326-L330 WeakPolarHBondContact O-CB 3.45Å; E326-L330 PolarHBondContact O-N 3.18Å; E326-W346 PolarHBondContact O-NE1 2.88Å; E326-P350 HydrophobicContact CB-CB 4.35Å; E326-P350 HydrophobicContact CB-CG 3.53Å; E326-P350 HydrophobicContact CG-CG 3.8Å; E326-F381 HydrophobicContact CB-CE2 4.21Å; E326-F381 HydrophobicContact CB-CZ 4.03Å; E326-T383 WeakPolarHBondContact OE2-CB 3.47Å; E326-T383 PolarHBondContact OE2-OG1 3.39Å
327	Q	90	Very high	94.5	Very high	125 Å²	125	23.1 Å²	23.1	58%	0.584	13%	0.132	S	C	*	.	H	α-helix	trans	-68.4	-51.7	178.2	-64.1	174.6	62.2	0	0	110	N325 L329 L330 F331	N325-Q327 PolarHBondContact O-N 3.34Å; N325-Q327 WeakPolarHBondContact OD1-CA 3.49Å; N325-Q327 VanDerWaalsContact OD1-CB 3.31Å; N325-Q327 WeakPolarHBondContact OD1-CB 3.34Å; N325-Q327 PolarHBondContact OD1-N 3.4Å; Q327-L329 VanDerWaalsContact C-N 3.34Å; Q327-L329 PolarHBondContact O-N 2.81Å; Q327-L330 PolarHBondContact O-N 3.47Å; Q327-F331 VanDerWaalsContact O-CB 3.27Å; Q327-F331 WeakPolarHBondContact O-CB 3.2Å; Q327-F331 PolarHBondContact O-N 3.12Å
328	E	94.3	Very high	94.7	Very high	6 Å²	6	21.9 Å²	21.9	3%	0.028	13%	0.125	C	C	.	.	H	α-helix	trans	-63	-39.2	176.2	-77.4	77.1	-121.5	0	0	111.9	L298 S300 M301 L324 N325 F331 L332	L298-E328 HydrophobicContact CB-CG 4.34Å; S300-E328 WeakPolarHBondContact CA-OE1 3.22Å; S300-E328 PolarHBondContact N-OE1 3.18Å; M301-E328 HydrophobicContact CB-CG 4.47Å; M301-E328 HydrophobicContact CG-CG 4.42Å; L324-E328 HydrophobicContact CB-CB 3.89Å; N325-E328 PolarHBondContact ND2-OE2 3.3Å; N325-E328 PolarHBondContact OD1-N 3.4Å; N325-E328 PolarHBondContact OD1-OE2 3.26Å; E328-F331 PolarHBondContact O-N 2.86Å; E328-L332 VanDerWaalsContact O-CB 3.22Å; E328-L332 WeakPolarHBondContact O-CB 3.45Å; E328-L332 PolarHBondContact O-N 3Å
329	L	97.2	Very high	94.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.8	-47.5	178.2	-172.1	66.7	0	0	0	111.7	L324 N325 Q327 L332 T333 V355 I358 L359 I362 F381	L324-L329 HydrophobicContact CD1-CB 3.59Å; L324-L329 HydrophobicContact CD1-CD1 3.86Å; L324-L329 HydrophobicContact CD1-CG 4.25Å; N325-L329 VanDerWaalsContact O-CB 3.31Å; N325-L329 WeakPolarHBondContact O-CB 3.38Å; N325-L329 PolarHBondContact O-N 2.95Å; Q327-L329 VanDerWaalsContact C-N 3.34Å; Q327-L329 PolarHBondContact O-N 2.81Å; L329-L332 PolarHBondContact O-N 3.44Å; L329-T333 PolarHBondContact O-N 3.06Å; L329-T333 VanDerWaalsContact O-N 3.16Å; L329-V355 HydrophobicContact CD2-CB 4.14Å; L329-V355 HydrophobicContact CD2-CG1 3.7Å; L329-V355 HydrophobicContact CD2-CG2 4.05Å; L329-I358 HydrophobicContact CD1-CB 4.04Å; L329-I358 HydrophobicContact CD1-CG2 3.47Å; L329-I358 VanDerWaalsContact CD1-CG2 3.47Å; L329-I358 HydrophobicContact CD2-CB 4.3Å; L329-I358 HydrophobicContact CD2-CD1 4.27Å; L329-I358 HydrophobicContact CG-CB 4.15Å; L329-I358 HydrophobicContact CG-CD1 4.17Å; L329-I358 HydrophobicContact CG-CG2 3.82Å; L329-L359 HydrophobicContact CD1-CD2 3.8Å; L329-L359 HydrophobicContact CD1-CG 4.4Å; L329-L359 HydrophobicContact CD2-CD2 4.46Å; L329-L359 HydrophobicContact CD2-CG 4.47Å; L329-I362 HydrophobicContact CD1-CD1 3.76Å; L329-F381 HydrophobicContact CB-CD2 4.4Å; L329-F381 HydrophobicContact CB-CE2 4.09Å; L329-F381 HydrophobicContact CD2-CD2 3.76Å; L329-F381 HydrophobicContact CD2-CE2 3.55Å; L329-F381 HydrophobicContact CD2-CZ 4.37Å; L329-F381 HydrophobicContact CG-CE2 4.43Å
330	L	95.6	Very high	95	Very high	9 Å²	9	24.2 Å²	24.2	5%	0.047	14%	0.136	C	C	.	.	H	α-helix	trans	-65.9	-43.2	178.9	-178.3	58	0	0	0	110.8	E326 Q327 L332 T333 Q334 L343 W346	E326-L330 WeakPolarHBondContact O-CB 3.45Å; E326-L330 PolarHBondContact O-N 3.18Å; Q327-L330 PolarHBondContact O-N 3.47Å; L330-L332 VanDerWaalsContact C-N 3.29Å; L330-L332 PolarHBondContact O-N 2.88Å; L330-T333 HydrophobicContact CD1-CG2 3.98Å; L330-T333 WeakPolarHBondContact O-CG2 3.17Å; L330-T333 PolarHBondContact O-N 2.84Å; L330-Q334 HydrophobicContact CD1-CG 4.32Å; L330-Q334 HydrophobicContact CG-CG 4.42Å; L330-Q334 WeakPolarHBondContact O-CB 3.46Å; L330-Q334 VanDerWaalsContact O-CG 3.23Å; L330-Q334 WeakPolarHBondContact O-CG 3.31Å; L330-Q334 PolarHBondContact O-N 2.93Å; L330-L343 HydrophobicContact CD1-CB 4.16Å; L330-L343 HydrophobicContact CD1-CD2 4.08Å; L330-L343 HydrophobicContact CD1-CG 4.41Å; L330-L343 HydrophobicContact CD2-CD2 4.34Å; L330-W346 HydrophobicContact CB-CZ2 4.02Å; L330-W346 HydrophobicContact CD1-CZ2 4.41Å; L330-W346 HydrophobicContact CD2-CD2 4.43Å; L330-W346 HydrophobicContact CD2-CG 4.33Å
331	F	93.9	Very high	94.9	Very high	29 Å²	29	25.5 Å²	25.5	13%	0.127	15%	0.146	C	C	.	.	H	α-helix	trans	-64	-36.7	179.2	-170.8	-115.2	0	0	0	112.4	M301 T302 R304 M307 Q327 E328 Q334 S335	M301-F331 HydrophobicContact CB-CD1 3.94Å; M301-F331 HydrophobicContact CB-CE1 4.2Å; M301-F331 WeakPolarHBondContact O-CD1 3.37Å; T302-F331 WeakPolarHBondContact O-CZ 3.47Å; R304-F331 HydrophobicContact CB-CZ 4.14Å; M307-F331 HydrophobicContact CB-CD1 4.11Å; M307-F331 HydrophobicContact CB-CE1 3.74Å; M307-F331 HydrophobicContact CE-CD1 3.84Å; M307-F331 HydrophobicContact CG-CD1 4.1Å; M307-F331 HydrophobicContact CG-CE1 4.22Å; Q327-F331 VanDerWaalsContact O-CB 3.27Å; Q327-F331 WeakPolarHBondContact O-CB 3.2Å; Q327-F331 PolarHBondContact O-N 3.12Å; E328-F331 PolarHBondContact O-N 2.86Å; F331-Q334 PolarHBondContact O-N 3.16Å; F331-S335 VanDerWaalsContact O-CB 3.25Å; F331-S335 WeakPolarHBondContact O-CB 3.31Å; F331-S335 PolarHBondContact O-N 3.41Å; F331-S335 PolarHBondContact O-OG 3.29Å
332	L	94	Very high	94.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-51.1	175.2	-171.7	163.3	0	0	0	111	M307 V311 F316 E328 L329 L330 Q334 S335 A336 W361 I362	M307-L332 HydrophobicContact CE-CB 4.42Å; M307-L332 HydrophobicContact SD-CB 4.21Å; M307-L332 HydrophobicContact SD-CD1 4.41Å; M307-L332 HydrophobicContact SD-CG 4.18Å; V311-L332 HydrophobicContact CG2-CD1 4.22Å; V311-L332 HydrophobicContact CG2-CG 4.03Å; F316-L332 HydrophobicContact CE2-CD1 3.81Å; F316-L332 HydrophobicContact CZ-CD1 3.64Å; E328-L332 VanDerWaalsContact O-CB 3.22Å; E328-L332 WeakPolarHBondContact O-CB 3.45Å; E328-L332 PolarHBondContact O-N 3Å; L329-L332 PolarHBondContact O-N 3.44Å; L330-L332 VanDerWaalsContact C-N 3.29Å; L330-L332 PolarHBondContact O-N 2.88Å; L332-Q334 VanDerWaalsContact C-N 3.33Å; L332-Q334 PolarHBondContact O-N 3.29Å; L332-S335 PolarHBondContact O-N 2.84Å; L332-S335 VanDerWaalsContact O-N 3.13Å; L332-A336 PolarHBondContact O-N 3.1Å; L332-W361 HydrophobicContact CD2-CH2 3.94Å; L332-W361 HydrophobicContact CD2-CZ3 3.45Å; L332-W361 VanDerWaalsContact CD2-CZ3 3.45Å; L332-I362 HydrophobicContact CD1-CD1 3.96Å; L332-I362 HydrophobicContact CD2-CD1 3.93Å; L332-I362 HydrophobicContact CD2-CG1 3.93Å
333	T	94.2	Very high	94.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-40.2	178.4	-176	0	0	0	0	112	L329 L330 S335 A336 S337 G338 P339 S341 I358	L329-T333 PolarHBondContact O-N 3.06Å; L329-T333 VanDerWaalsContact O-N 3.16Å; L330-T333 HydrophobicContact CD1-CG2 3.98Å; L330-T333 WeakPolarHBondContact O-CG2 3.17Å; L330-T333 PolarHBondContact O-N 2.84Å; T333-S335 VanDerWaalsContact C-N 3.29Å; T333-S335 PolarHBondContact O-N 2.62Å; T333-A336 PolarHBondContact O-N 3.14Å; T333-S337 WeakPolarHBondContact O-CA 3.05Å; T333-S337 PolarHBondContact O-N 2.91Å; T333-G338 PolarHBondContact O-N 2.95Å; T333-G338 WeakPolarHBondContact OG1-CA 3.2Å; T333-G338 PolarHBondContact OG1-N 3.45Å; T333-G338 PolarHBondContact OG1-O 2.83Å; T333-P339 WeakPolarHBondContact CB-O 3.18Å; T333-P339 WeakPolarHBondContact CG2-O 3.28Å; T333-P339 PolarHBondContact OG1-O 3.06Å; T333-S341 WeakPolarHBondContact O-CB 3.39Å; T333-I358 HydrophobicContact CG2-CD1 3.8Å; T333-I358 HydrophobicContact CG2-CG1 4.27Å; T333-I358 HydrophobicContact CG2-CG2 4.48Å
334	Q	93.4	Very high	94.3	Very high	37 Å²	37	38.4 Å²	38.4	17%	0.173	23%	0.232	C	C	.	.	H	α-helix	trans	-58.9	-42.8	174.1	-74.7	172.9	-7	0	0	111.2	R304 L330 F331 L332 L343 S344	R304-Q334 PolarHBondContact NH1-O 2.88Å; L330-Q334 HydrophobicContact CD1-CG 4.32Å; L330-Q334 HydrophobicContact CG-CG 4.42Å; L330-Q334 WeakPolarHBondContact O-CB 3.46Å; L330-Q334 VanDerWaalsContact O-CG 3.23Å; L330-Q334 WeakPolarHBondContact O-CG 3.31Å; L330-Q334 PolarHBondContact O-N 2.93Å; F331-Q334 PolarHBondContact O-N 3.16Å; L332-Q334 VanDerWaalsContact C-N 3.33Å; L332-Q334 PolarHBondContact O-N 3.29Å; Q334-L343 PolarHBondContact NE2-O 2.99Å; Q334-S344 PolarHBondContact NE2-O 3.49Å
335	S	91.2	Very high	94	Very high	13 Å²	13	41.8 Å²	41.8	9%	0.091	26%	0.255	C	S	.	.	H	α-helix	trans	-70.7	-38.4	-176.7	-63.4	0	0	0	0	113.3	F331 L332 T333	F331-S335 VanDerWaalsContact O-CB 3.25Å; F331-S335 WeakPolarHBondContact O-CB 3.31Å; F331-S335 PolarHBondContact O-N 3.41Å; F331-S335 PolarHBondContact O-OG 3.29Å; L332-S335 PolarHBondContact O-N 2.84Å; L332-S335 VanDerWaalsContact O-N 3.13Å; T333-S335 VanDerWaalsContact C-N 3.29Å; T333-S335 PolarHBondContact O-N 2.62Å
336	A	89.9	Confident	93.8	Very high	18 Å²	18	41.9 Å²	41.9	15%	0.149	25%	0.253	C	S	.	.	H	α-helix	trans	-106.6	13.8	-174.7	0	0	0	0	0	113.8	L332 T333 G338 W361	L332-A336 PolarHBondContact O-N 3.1Å; T333-A336 PolarHBondContact O-N 3.14Å; A336-G338 VanDerWaalsContact C-N 3.29Å; A336-G338 PolarHBondContact O-N 2.74Å; A336-W361 HydrophobicContact CB-CH2 3.7Å; A336-W361 HydrophobicContact CB-CZ2 4.25Å
337	S	91.2	Very high	93.5	Very high	100 Å²	100	47.8 Å²	47.8	70%	0.699	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	39	179.1	-49.5	0	0	0	0	113.8	T333	T333-S337 WeakPolarHBondContact O-CA 3.05Å; T333-S337 PolarHBondContact O-N 2.91Å
338	G	93.8	Very high	93.6	Very high	8 Å²	8	44.7 Å²	44.7	8%	0.082	29%	0.288	C	S	.	.			trans	-78.6	-171.9	177.8	0	0	0	0	0	113.8	T333 A336 S341	T333-G338 PolarHBondContact O-N 2.95Å; T333-G338 WeakPolarHBondContact OG1-CA 3.2Å; T333-G338 PolarHBondContact OG1-N 3.45Å; T333-G338 PolarHBondContact OG1-O 2.83Å; A336-G338 VanDerWaalsContact C-N 3.29Å; A336-G338 PolarHBondContact O-N 2.74Å; G338-S341 WeakPolarHBondContact O-CB 3.43Å; G338-S341 PolarHBondContact O-N 3.32Å; G338-S341 PolarHBondContact O-OG 3.38Å
339	P	97.1	Very high	93.6	Very high	32 Å²	32	47.9 Å²	47.9	21%	0.208	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	139	174.4	-24.6	33.9	0	0	0	112.1	T333 S341 D357 I358 W361	T333-P339 WeakPolarHBondContact CB-O 3.18Å; T333-P339 WeakPolarHBondContact CG2-O 3.28Å; T333-P339 PolarHBondContact OG1-O 3.06Å; P339-S341 PolarHBondContact O-N 2.56Å; P339-S341 VanDerWaalsContact O-N 3.14Å; P339-D357 HydrophobicContact CB-CB 4.27Å; P339-I358 HydrophobicContact CB-CG1 4.29Å; P339-W361 HydrophobicContact CG-CB 3.58Å; P339-W361 HydrophobicContact CG-CD2 4.36Å; P339-W361 HydrophobicContact CG-CG 3.78Å
340	H	96.7	Very high	93.6	Very high	36 Å²	36	48.1 Å²	48.1	17%	0.167	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	18.6	177.7	-46.3	-61.5	0	0	0	114.9	S342 L343 M354 D357	H340-S342 PolarHBondContact O-N 2.92Å; H340-S342 VanDerWaalsContact O-N 3.11Å; H340-L343 VanDerWaalsContact O-CB 3.25Å; H340-L343 WeakPolarHBondContact O-CB 3.41Å; H340-L343 PolarHBondContact O-N 3.21Å; H340-M354 HydrophobicContact CB-CE 3.65Å; H340-D357 IonicContact NE2-OD2 2.88Å; H340-D357 PolarHBondContact NE2-OD2 3.34Å
341	S	95.4	Very high	93.7	Very high	47 Å²	47	50.6 Å²	50.6	33%	0.329	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.3	178.7	51.6	0	0	0	0	115.1	T333 G338 P339 L343	T333-S341 WeakPolarHBondContact O-CB 3.39Å; G338-S341 WeakPolarHBondContact O-CB 3.43Å; G338-S341 PolarHBondContact O-N 3.32Å; G338-S341 PolarHBondContact O-OG 3.38Å; P339-S341 PolarHBondContact O-N 2.56Å; P339-S341 VanDerWaalsContact O-N 3.14Å; S341-L343 VanDerWaalsContact C-N 3.33Å
342	S	95.3	Very high	93.9	Very high	120 Å²	120	49.2 Å²	49.2	84%	0.839	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-14.1	173.7	57.2	0	0	0	0	113.8	H340 S344	H340-S342 PolarHBondContact O-N 2.92Å; H340-S342 VanDerWaalsContact O-N 3.11Å; S342-S344 PolarHBondContact O-N 3.02Å
343	L	94.6	Very high	94.2	Very high	50 Å²	50	49.2 Å²	49.2	26%	0.262	32%	0.317	S	S	.	.			trans	-69.9	124	176.2	-176.6	71.1	0	0	0	109.2	L330 Q334 H340 S341 S345 W346 M354	L330-L343 HydrophobicContact CD1-CB 4.16Å; L330-L343 HydrophobicContact CD1-CD2 4.08Å; L330-L343 HydrophobicContact CD1-CG 4.41Å; L330-L343 HydrophobicContact CD2-CD2 4.34Å; Q334-L343 PolarHBondContact NE2-O 2.99Å; H340-L343 VanDerWaalsContact O-CB 3.25Å; H340-L343 WeakPolarHBondContact O-CB 3.41Å; H340-L343 PolarHBondContact O-N 3.21Å; S341-L343 VanDerWaalsContact C-N 3.33Å; L343-S345 WeakPolarHBondContact CD1-O 3.47Å; L343-S345 WeakPolarHBondContact CG-O 3.32Å; L343-W346 HydrophobicContact CD2-CD2 4.17Å; L343-W346 HydrophobicContact CD2-CE3 3.69Å; L343-W346 HydrophobicContact CD2-CZ3 3.92Å; L343-M354 HydrophobicContact CD2-CE 3.94Å
344	S	91.9	Very high	94.3	Very high	103 Å²	103	50.8 Å²	50.8	72%	0.72	32%	0.324	S	S	*	.			trans	-75.3	-38.5	-179.7	56.7	0	0	0	0	113.1	Q334 S342	Q334-S344 PolarHBondContact NE2-O 3.49Å; S342-S344 PolarHBondContact O-N 3.02Å
345	S	92.2	Very high	94.6	Very high	70 Å²	70	49 Å²	49	49%	0.49	32%	0.316	S	S	.	.	S	Bend	trans	-159	157.8	179.9	57	0	0	0	0	110.1	L343	L343-S345 WeakPolarHBondContact CD1-O 3.47Å; L343-S345 WeakPolarHBondContact CG-O 3.32Å
346	W	91.6	Very high	95	Very high	37 Å²	37	48.4 Å²	48.4	14%	0.14	31%	0.312	C	S	.	.			trans	-67.9	131.8	170.3	-58.8	109.2	0	0	0	110.6	E326 L330 L343 G348 P350 M354 V355 I358	E326-W346 PolarHBondContact O-NE1 2.88Å; L330-W346 HydrophobicContact CB-CZ2 4.02Å; L330-W346 HydrophobicContact CD1-CZ2 4.41Å; L330-W346 HydrophobicContact CD2-CD2 4.43Å; L330-W346 HydrophobicContact CD2-CG 4.33Å; L343-W346 HydrophobicContact CD2-CD2 4.17Å; L343-W346 HydrophobicContact CD2-CE3 3.69Å; L343-W346 HydrophobicContact CD2-CZ3 3.92Å; W346-G348 PolarHBondContact O-N 2.95Å; W346-P350 HydrophobicContact CB-CG 4.38Å; W346-P350 HydrophobicContact CD2-CB 3.75Å; W346-P350 HydrophobicContact CD2-CG 3.99Å; W346-P350 HydrophobicContact CE3-CB 3.72Å; W346-P350 HydrophobicContact CE3-CG 4.4Å; W346-P350 HydrophobicContact CG-CB 4.25Å; W346-P350 HydrophobicContact CG-CG 3.96Å; W346-P350 HydrophobicContact CH2-CB 4.32Å; W346-P350 HydrophobicContact CZ2-CB 4.35Å; W346-P350 HydrophobicContact CZ3-CB 4.02Å; W346-M354 HydrophobicContact CH2-CB 4.33Å; W346-M354 HydrophobicContact CZ3-CB 4.12Å; W346-M354 HydrophobicContact CZ3-CE 4.3Å; W346-M354 HydrophobicContact CZ3-SD 4.39Å; W346-V355 HydrophobicContact CH2-CG2 3.84Å; W346-V355 HydrophobicContact CZ2-CG2 4.19Å; W346-V355 HydrophobicContact CZ3-CG2 4.44Å; W346-I358 HydrophobicContact CH2-CD1 4.16Å; W346-I358 HydrophobicContact CZ2-CD1 4.39Å
347	N	90.3	Very high	95.4	Very high	163 Å²	163	47.7 Å²	47.7	87%	0.872	31%	0.305	S	S	*	.			trans	-94.6	83.3	174.7	-174.3	21.8	0	0	0	110.3
348	G	92.7	Very high	95.7	Very high	60 Å²	60	43 Å²	43	62%	0.619	27%	0.272	S	S	*	.	S	Bend	trans	85.1	-137.7	-173.6	0	0	0	0	0	112.1	W346	W346-G348 PolarHBondContact O-N 2.95Å
349	V	94.2	Very high	96	Very high	73 Å²	73	42.6 Å²	42.6	44%	0.442	27%	0.268	S	S	.	.	S	Bend	trans	-66.3	127.7	179.4	176.6	0	0	0	0	109.6	D351 V385 Y386	V349-D351 PolarHBondContact O-N 2.65Å; V349-V385 HydrophobicContact CB-CG2 4.36Å; V349-V385 HydrophobicContact CG1-CG2 3.48Å; V349-V385 VanDerWaalsContact CG1-CG2 3.48Å; V349-V385 HydrophobicContact CG2-CG1 4.44Å; V349-V385 HydrophobicContact CG2-CG2 3.9Å; V349-Y386 HydrophobicContact CG1-CD1 4.28Å; V349-Y386 HydrophobicContact CG1-CE1 3.89Å
350	P	97.1	Very high	96	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.039	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-57.2	128.1	175.4	-24.5	33.5	0	0	0	111.4	E326 W346 V352 V355 Y386	E326-P350 HydrophobicContact CB-CB 4.35Å; E326-P350 HydrophobicContact CB-CG 3.53Å; E326-P350 HydrophobicContact CG-CG 3.8Å; W346-P350 HydrophobicContact CB-CG 4.38Å; W346-P350 HydrophobicContact CD2-CB 3.75Å; W346-P350 HydrophobicContact CD2-CG 3.99Å; W346-P350 HydrophobicContact CE3-CB 3.72Å; W346-P350 HydrophobicContact CE3-CG 4.4Å; W346-P350 HydrophobicContact CG-CB 4.25Å; W346-P350 HydrophobicContact CG-CG 3.96Å; W346-P350 HydrophobicContact CH2-CB 4.32Å; W346-P350 HydrophobicContact CZ2-CB 4.35Å; W346-P350 HydrophobicContact CZ3-CB 4.02Å; P350-V352 PolarHBondContact O-N 3Å; P350-V355 HydrophobicContact CB-CG2 3.74Å; P350-Y386 VanDerWaalsContact O-CE1 3.28Å; P350-Y386 WeakPolarHBondContact O-CE1 3.44Å; P350-Y386 PolarHBondContact O-OH 3.42Å
351	D	97.9	Very high	96.1	Very high	60 Å²	60	42.1 Å²	42.1	32%	0.321	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-62	128.7	178.3	177.1	-95.1	0	0	0	110.5	V349 G353 M354 V355	V349-D351 PolarHBondContact O-N 2.65Å; D351-G353 VanDerWaalsContact C-N 3.27Å; D351-G353 PolarHBondContact O-N 2.82Å; D351-G353 VanDerWaalsContact OD1-CA 3.31Å; D351-G353 WeakPolarHBondContact OD1-CA 3.44Å; D351-G353 PolarHBondContact OD1-N 2.85Å; D351-M354 HydrophobicContact CB-CB 4.11Å; D351-M354 HydrophobicContact CB-CG 3.9Å; D351-M354 HydrophobicContact CB-SD 3.86Å; D351-M354 PolarHBondContact O-N 3.5Å; D351-M354 PolarHBondContact OD1-N 3.27Å; D351-V355 WeakPolarHBondContact O-CG2 3.3Å; D351-V355 PolarHBondContact O-N 2.61Å
352	V	98.4	Very high	96.1	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-37.6	-174.6	178.1	0	0	0	0	111.3	P350 S356 Y386 I388 P430 F433 W455 F464	P350-V352 PolarHBondContact O-N 3Å; V352-S356 VanDerWaalsContact O-CB 3.26Å; V352-S356 WeakPolarHBondContact O-CB 3.36Å; V352-S356 PolarHBondContact O-N 2.81Å; V352-S356 PolarHBondContact O-OG 3Å; V352-Y386 HydrophobicContact CG2-CD1 4.36Å; V352-Y386 HydrophobicContact CG2-CE1 3.94Å; V352-Y386 HydrophobicContact CG2-CE2 4.21Å; V352-I388 HydrophobicContact CG1-CD1 4.06Å; V352-P430 HydrophobicContact CG2-CG 4.33Å; V352-F433 HydrophobicContact CB-CB 4.03Å; V352-F433 HydrophobicContact CB-CD2 3.66Å; V352-F433 HydrophobicContact CB-CE2 4.3Å; V352-F433 HydrophobicContact CB-CG 3.94Å; V352-F433 HydrophobicContact CG1-CD2 3.41Å; V352-F433 VanDerWaalsContact CG1-CD2 3.41Å; V352-F433 HydrophobicContact CG1-CE2 3.57Å; V352-F433 HydrophobicContact CG1-CG 4.13Å; V352-F433 HydrophobicContact CG1-CZ 4.39Å; V352-F433 HydrophobicContact CG2-CB 4.05Å; V352-F433 HydrophobicContact CG2-CD1 4.38Å; V352-F433 HydrophobicContact CG2-CD2 4.08Å; V352-F433 HydrophobicContact CG2-CG 3.93Å; V352-W455 HydrophobicContact CG1-CH2 4.43Å; V352-F464 HydrophobicContact CG1-CD2 4Å; V352-F464 HydrophobicContact CG1-CE2 4.11Å; V352-F464 HydrophobicContact CG2-CD2 4.42Å; V352-F464 HydrophobicContact CG2-CE2 3.71Å; V352-F464 HydrophobicContact CG2-CZ 4.47Å
353	G	98.3	Very high	96.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.5	-45.2	178.8	0	0	0	0	0	111.7	D351 S356 D357 M434	D351-G353 VanDerWaalsContact C-N 3.27Å; D351-G353 PolarHBondContact O-N 2.82Å; D351-G353 VanDerWaalsContact OD1-CA 3.31Å; D351-G353 WeakPolarHBondContact OD1-CA 3.44Å; D351-G353 PolarHBondContact OD1-N 2.85Å; G353-S356 PolarHBondContact O-N 2.81Å; G353-D357 PolarHBondContact O-N 3.42Å; G353-M434 VanDerWaalsContact CA-O 3.23Å; G353-M434 WeakPolarHBondContact CA-O 3.38Å; G353-M434 PolarHBondContact N-O 3.38Å; G353-M434 VanDerWaalsContact N-O 3.16Å
354	M	98.4	Very high	96.3	Very high	32 Å²	32	35.9 Å²	35.9	16%	0.158	21%	0.211	C	C	.	.	H	α-helix	trans	-61.6	-45.7	175.9	-64.9	178.3	72.1	0	0	112.2	H340 L343 W346 D351 S356 D357 I358 H437	H340-M354 HydrophobicContact CB-CE 3.65Å; L343-M354 HydrophobicContact CD2-CE 3.94Å; W346-M354 HydrophobicContact CH2-CB 4.33Å; W346-M354 HydrophobicContact CZ3-CB 4.12Å; W346-M354 HydrophobicContact CZ3-CE 4.3Å; W346-M354 HydrophobicContact CZ3-SD 4.39Å; D351-M354 HydrophobicContact CB-CB 4.11Å; D351-M354 HydrophobicContact CB-CG 3.9Å; D351-M354 HydrophobicContact CB-SD 3.86Å; D351-M354 PolarHBondContact O-N 3.5Å; D351-M354 PolarHBondContact OD1-N 3.27Å; M354-S356 VanDerWaalsContact C-N 3.33Å; M354-S356 PolarHBondContact O-N 3.04Å; M354-D357 PolarHBondContact O-N 2.88Å; M354-I358 WeakPolarHBondContact O-CG1 3.29Å; M354-I358 PolarHBondContact O-N 3.37Å; M354-H437 HydrophobicContact CG-CB 3.89Å
355	V	98.7	Very high	96.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.9	-47.2	174.7	166	0	0	0	0	110.4	L329 W346 P350 D351 D357 I358 L359 F381 Y386 I388	L329-V355 HydrophobicContact CD2-CB 4.14Å; L329-V355 HydrophobicContact CD2-CG1 3.7Å; L329-V355 HydrophobicContact CD2-CG2 4.05Å; W346-V355 HydrophobicContact CH2-CG2 3.84Å; W346-V355 HydrophobicContact CZ2-CG2 4.19Å; W346-V355 HydrophobicContact CZ3-CG2 4.44Å; P350-V355 HydrophobicContact CB-CG2 3.74Å; D351-V355 WeakPolarHBondContact O-CG2 3.3Å; D351-V355 PolarHBondContact O-N 2.61Å; V355-D357 VanDerWaalsContact C-N 3.31Å; V355-D357 PolarHBondContact O-N 2.68Å; V355-I358 PolarHBondContact O-N 2.83Å; V355-I358 VanDerWaalsContact O-N 3.16Å; V355-L359 HydrophobicContact CG1-CD1 3.85Å; V355-L359 HydrophobicContact CG1-CG 4.27Å; V355-L359 WeakPolarHBondContact O-CG 3.48Å; V355-L359 PolarHBondContact O-N 2.87Å; V355-F381 HydrophobicContact CG1-CD1 3.7Å; V355-F381 HydrophobicContact CG1-CD2 4.12Å; V355-F381 HydrophobicContact CG1-CE1 3.6Å; V355-F381 HydrophobicContact CG1-CE2 4.01Å; V355-F381 HydrophobicContact CG1-CG 3.96Å; V355-F381 HydrophobicContact CG1-CZ 3.75Å; V355-F381 HydrophobicContact CG2-CE1 4.29Å; V355-F381 HydrophobicContact CG2-CE2 4.46Å; V355-F381 HydrophobicContact CG2-CZ 3.9Å; V355-Y386 VanDerWaalsContact CG2-OH 3.31Å; V355-Y386 WeakPolarHBondContact CG2-OH 3.46Å; V355-I388 HydrophobicContact CG1-CD1 3.91Å
356	S	98.8	Very high	96.4	Very high	1 Å²	1	33 Å²	33	1%	0.007	18%	0.179	C	C	.	.	H	α-helix	trans	-62.8	-36.2	-179.9	-57.9	0	0	0	0	112.6	V352 G353 M354 F360 T435 W455	V352-S356 VanDerWaalsContact O-CB 3.26Å; V352-S356 WeakPolarHBondContact O-CB 3.36Å; V352-S356 PolarHBondContact O-N 2.81Å; V352-S356 PolarHBondContact O-OG 3Å; G353-S356 PolarHBondContact O-N 2.81Å; M354-S356 VanDerWaalsContact C-N 3.33Å; M354-S356 PolarHBondContact O-N 3.04Å; S356-F360 WeakPolarHBondContact O-CB 3.28Å; S356-F360 PolarHBondContact O-N 2.9Å; S356-T435 VanDerWaalsContact CB-O 3.31Å; S356-T435 WeakPolarHBondContact CB-O 3.05Å; S356-W455 WeakPolarHBondContact OG-CZ2 3.41Å
357	D	98.6	Very high	96.6	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.016	17%	0.172	C	C	.	.	H	α-helix	trans	-63.2	-41.7	174.6	-69.8	-34	0	0	0	112.1	P339 H340 G353 M354 V355 W361 S436 H437 S438 R457	P339-D357 HydrophobicContact CB-CB 4.27Å; H340-D357 IonicContact NE2-OD2 2.88Å; H340-D357 PolarHBondContact NE2-OD2 3.34Å; G353-D357 PolarHBondContact O-N 3.42Å; M354-D357 PolarHBondContact O-N 2.88Å; V355-D357 VanDerWaalsContact C-N 3.31Å; V355-D357 PolarHBondContact O-N 2.68Å; D357-W361 VanDerWaalsContact O-CB 3.31Å; D357-W361 WeakPolarHBondContact O-CB 3.43Å; D357-W361 PolarHBondContact O-N 3.38Å; D357-S436 WeakPolarHBondContact OD1-CB 3.45Å; D357-S436 PolarHBondContact OD1-OG 3.31Å; D357-S436 PolarHBondContact OD2-OG 3.32Å; D357-H437 PolarHBondContact OD2-N 3.49Å; D357-S438 WeakPolarHBondContact OD2-CB 3.33Å; D357-S438 PolarHBondContact OD2-N 3.28Å; D357-S438 PolarHBondContact OD2-OG 2.92Å; D357-R457 IonicContact OD1-CZ 2.95Å; D357-R457 IonicContact OD1-NH1 3.88Å; D357-R457 PolarHBondContact OD1-NH1 3.32Å; D357-R457 IonicContact OD1-NH2 2.71Å
358	I	98.6	Very high	96.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-69	-46.5	178	-56.9	162.6	0	0	0	110.2	L329 T333 P339 W346 M354 V355 F360 W361 I362	L329-I358 HydrophobicContact CD1-CB 4.04Å; L329-I358 HydrophobicContact CD1-CG2 3.47Å; L329-I358 VanDerWaalsContact CD1-CG2 3.47Å; L329-I358 HydrophobicContact CD2-CB 4.3Å; L329-I358 HydrophobicContact CD2-CD1 4.27Å; L329-I358 HydrophobicContact CG-CB 4.15Å; L329-I358 HydrophobicContact CG-CD1 4.17Å; L329-I358 HydrophobicContact CG-CG2 3.82Å; T333-I358 HydrophobicContact CG2-CD1 3.8Å; T333-I358 HydrophobicContact CG2-CG1 4.27Å; T333-I358 HydrophobicContact CG2-CG2 4.48Å; P339-I358 HydrophobicContact CB-CG1 4.29Å; W346-I358 HydrophobicContact CH2-CD1 4.16Å; W346-I358 HydrophobicContact CZ2-CD1 4.39Å; M354-I358 WeakPolarHBondContact O-CG1 3.29Å; M354-I358 PolarHBondContact O-N 3.37Å; V355-I358 PolarHBondContact O-N 2.83Å; V355-I358 VanDerWaalsContact O-N 3.16Å; I358-F360 VanDerWaalsContact C-N 3.33Å; I358-F360 PolarHBondContact O-N 2.84Å; I358-W361 HydrophobicContact CG2-CE3 4.22Å; I358-W361 PolarHBondContact O-N 2.86Å; I358-I362 HydrophobicContact CG2-CD1 4.07Å; I358-I362 HydrophobicContact CG2-CG1 4.41Å; I358-I362 WeakPolarHBondContact O-CG1 3.35Å; I358-I362 PolarHBondContact O-N 2.88Å
359	L	98.7	Very high	96.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.6	-43.5	177.6	-66.6	175.9	0	0	0	111.9	L329 V355 I362 L363 I379 F381 I388 A390 F462	L329-L359 HydrophobicContact CD1-CD2 3.8Å; L329-L359 HydrophobicContact CD1-CG 4.4Å; L329-L359 HydrophobicContact CD2-CD2 4.46Å; L329-L359 HydrophobicContact CD2-CG 4.47Å; V355-L359 HydrophobicContact CG1-CD1 3.85Å; V355-L359 HydrophobicContact CG1-CG 4.27Å; V355-L359 WeakPolarHBondContact O-CG 3.48Å; V355-L359 PolarHBondContact O-N 2.87Å; L359-I362 PolarHBondContact O-N 2.88Å; L359-L363 PolarHBondContact O-N 2.92Å; L359-L363 VanDerWaalsContact O-N 3.14Å; L359-I379 HydrophobicContact CD2-CB 4.15Å; L359-I379 HydrophobicContact CD2-CD1 4.15Å; L359-I379 HydrophobicContact CD2-CG2 3.58Å; L359-F381 HydrophobicContact CD1-CB 3.84Å; L359-F381 HydrophobicContact CD1-CG 4.28Å; L359-F381 HydrophobicContact CD2-CB 4.09Å; L359-I388 HydrophobicContact CD1-CB 4.12Å; L359-I388 HydrophobicContact CD1-CD1 4.49Å; L359-I388 HydrophobicContact CD1-CG2 3.83Å; L359-A390 HydrophobicContact CB-CB 4.32Å; L359-A390 HydrophobicContact CD1-CB 4.4Å; L359-F462 HydrophobicContact CB-CE1 4.03Å
360	F	98.4	Very high	96.2	Very high	17 Å²	17	33.7 Å²	33.7	8%	0.075	16%	0.156	C	C	.	.	H	α-helix	trans	-57.7	-51.5	173.3	177.9	-108.3	0	0	0	111	S356 I358 I362 L363 K364 R457 E458 I460 F462	S356-F360 WeakPolarHBondContact O-CB 3.28Å; S356-F360 PolarHBondContact O-N 2.9Å; I358-F360 VanDerWaalsContact C-N 3.33Å; I358-F360 PolarHBondContact O-N 2.84Å; F360-I362 VanDerWaalsContact C-N 3.35Å; F360-I362 PolarHBondContact O-N 2.87Å; F360-L363 PolarHBondContact O-N 2.84Å; F360-K364 HydrophobicContact CD1-CG 4.12Å; F360-K364 HydrophobicContact CD2-CG 4.07Å; F360-K364 HydrophobicContact CE1-CD 4.38Å; F360-K364 HydrophobicContact CE1-CG 3.79Å; F360-K364 HydrophobicContact CE2-CD 3.8Å; F360-K364 HydrophobicContact CE2-CG 3.72Å; F360-K364 HydrophobicContact CG-CG 4.27Å; F360-K364 HydrophobicContact CZ-CD 3.71Å; F360-K364 HydrophobicContact CZ-CG 3.58Å; F360-K364 VanDerWaalsContact O-CG 3.24Å; F360-K364 WeakPolarHBondContact O-CG 3.31Å; F360-K364 PolarHBondContact O-N 2.8Å; F360-R457 VanDerWaalsContact CD1-CZ 3.42Å; F360-R457 HydrophobicContact CD2-CB 4.29Å; F360-R457 HydrophobicContact CD2-CG 3.95Å; F360-R457 HydrophobicContact CE2-CB 4.21Å; F360-R457 HydrophobicContact CE2-CG 3.64Å; F360-R457 HydrophobicContact CZ-CG 4.04Å; F360-E458 HydrophobicContact CE2-CB 4.13Å; F360-E458 HydrophobicContact CZ-CB 4.24Å; F360-E458 HydrophobicContact CZ-CG 4.36Å; F360-I460 HydrophobicContact CD2-CD1 3.64Å; F360-I460 HydrophobicContact CE2-CD1 3.84Å; F360-F462 HydrophobicContact CB-CZ 3.89Å; F360-F462 HydrophobicContact CD2-CZ 4.38Å
361	W	97.7	Very high	95.7	Very high	42 Å²	42	39 Å²	39	16%	0.159	19%	0.193	C	C	.	.	H	α-helix	trans	-59.8	-41.8	179.6	166.1	81.4	0	0	0	112.4	L332 A336 P339 D357 I358 L363 K364 E365	L332-W361 HydrophobicContact CD2-CH2 3.94Å; L332-W361 HydrophobicContact CD2-CZ3 3.45Å; L332-W361 VanDerWaalsContact CD2-CZ3 3.45Å; A336-W361 HydrophobicContact CB-CH2 3.7Å; A336-W361 HydrophobicContact CB-CZ2 4.25Å; P339-W361 HydrophobicContact CG-CB 3.58Å; P339-W361 HydrophobicContact CG-CD2 4.36Å; P339-W361 HydrophobicContact CG-CG 3.78Å; D357-W361 VanDerWaalsContact O-CB 3.31Å; D357-W361 WeakPolarHBondContact O-CB 3.43Å; D357-W361 PolarHBondContact O-N 3.38Å; I358-W361 HydrophobicContact CG2-CE3 4.22Å; I358-W361 PolarHBondContact O-N 2.86Å; W361-L363 PolarHBondContact O-N 2.92Å; W361-K364 PolarHBondContact O-N 2.81Å; W361-E365 VanDerWaalsContact CD1-CG 3.46Å; W361-E365 HydrophobicContact CG-CG 4.29Å; W361-E365 VanDerWaalsContact NE1-CG 3.28Å; W361-E365 WeakPolarHBondContact O-CB 3.28Å; W361-E365 PolarHBondContact O-N 3.31Å
362	I	96.8	Very high	95.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59	-48.7	175.7	-65.5	165.8	0	0	0	110.5	F316 L329 L332 I358 L359 F360 K364 H366 G367 L376 I379	F316-I362 HydrophobicContact CD2-CG2 4.34Å; F316-I362 HydrophobicContact CE2-CG2 4.02Å; L329-I362 HydrophobicContact CD1-CD1 3.76Å; L332-I362 HydrophobicContact CD1-CD1 3.96Å; L332-I362 HydrophobicContact CD2-CD1 3.93Å; L332-I362 HydrophobicContact CD2-CG1 3.93Å; I358-I362 HydrophobicContact CG2-CD1 4.07Å; I358-I362 HydrophobicContact CG2-CG1 4.41Å; I358-I362 WeakPolarHBondContact O-CG1 3.35Å; I358-I362 PolarHBondContact O-N 2.88Å; L359-I362 PolarHBondContact O-N 2.88Å; F360-I362 VanDerWaalsContact C-N 3.35Å; F360-I362 PolarHBondContact O-N 2.87Å; I362-K364 VanDerWaalsContact C-N 3.31Å; I362-K364 PolarHBondContact O-N 2.98Å; I362-H366 WeakPolarHBondContact O-CA 3.4Å; I362-H366 WeakPolarHBondContact O-CB 3.25Å; I362-H366 PolarHBondContact O-N 3.18Å; I362-G367 PolarHBondContact O-N 3.41Å; I362-G367 VanDerWaalsContact O-N 3.15Å; I362-L376 HydrophobicContact CG2-CD2 4.08Å; I362-I379 HydrophobicContact CB-CD1 3.77Å; I362-I379 HydrophobicContact CD1-CD1 4.28Å; I362-I379 HydrophobicContact CG2-CD1 3.57Å
363	L	97.5	Very high	94.7	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-67.6	-30.1	180	-71	179.2	0	0	0	112.7	L359 F360 W361 G367 L376 I379 A390 V392 I460	L359-L363 PolarHBondContact O-N 2.92Å; L359-L363 VanDerWaalsContact O-N 3.14Å; F360-L363 PolarHBondContact O-N 2.84Å; W361-L363 PolarHBondContact O-N 2.92Å; L363-G367 WeakPolarHBondContact O-CA 3.47Å; L363-G367 PolarHBondContact O-N 2.92Å; L363-G367 VanDerWaalsContact O-N 3.08Å; L363-L376 HydrophobicContact CD2-CG 4.13Å; L363-I379 HydrophobicContact CD2-CD1 3.94Å; L363-I379 HydrophobicContact CD2-CG1 3.89Å; L363-I379 HydrophobicContact CG-CD1 3.79Å; L363-I379 HydrophobicContact CG-CG1 4.15Å; L363-A390 HydrophobicContact CD1-CB 4.08Å; L363-V392 HydrophobicContact CB-CG2 4.41Å; L363-V392 HydrophobicContact CD1-CG2 4.34Å; L363-V392 HydrophobicContact CD2-CG2 4.17Å; L363-I460 HydrophobicContact CB-CD1 3.61Å; L363-I460 HydrophobicContact CB-CG1 4.41Å; L363-I460 HydrophobicContact CD1-CD1 4.24Å; L363-I460 HydrophobicContact CD1-CG1 4.35Å; L363-I460 HydrophobicContact CD1-CG2 3.68Å
364	K	95.4	Very high	94.4	Very high	81 Å²	81	44.8 Å²	44.8	35%	0.352	23%	0.232	S	C	.	.	H	α-helix	trans	-76.9	-43.6	176	-66.3	-73.8	-67	-154.9	0	112.5	F360 W361 I362 R372 E458 I460	F360-K364 HydrophobicContact CD1-CG 4.12Å; F360-K364 HydrophobicContact CD2-CG 4.07Å; F360-K364 HydrophobicContact CE1-CD 4.38Å; F360-K364 HydrophobicContact CE1-CG 3.79Å; F360-K364 HydrophobicContact CE2-CD 3.8Å; F360-K364 HydrophobicContact CE2-CG 3.72Å; F360-K364 HydrophobicContact CG-CG 4.27Å; F360-K364 HydrophobicContact CZ-CD 3.71Å; F360-K364 HydrophobicContact CZ-CG 3.58Å; F360-K364 VanDerWaalsContact O-CG 3.24Å; F360-K364 WeakPolarHBondContact O-CG 3.31Å; F360-K364 PolarHBondContact O-N 2.8Å; W361-K364 PolarHBondContact O-N 2.81Å; I362-K364 VanDerWaalsContact C-N 3.31Å; I362-K364 PolarHBondContact O-N 2.98Å; K364-R372 PolarHBondContact O-NH1 3.09Å; K364-E458 IonicContact NZ-OE2 3.07Å; K364-E458 PolarHBondContact NZ-OE2 3.11Å; K364-I460 HydrophobicContact CD-CD1 3.98Å; K364-I460 HydrophobicContact CG-CD1 4.01Å
365	E	93.4	Very high	94.2	Very high	93 Å²	93	46.4 Å²	46.4	44%	0.435	24%	0.242	S	C	.	.	H	α-helix	trans	-89.1	-21.9	-175.2	-68.8	-50.6	137.8	0	0	114.5	W361 R372	W361-E365 VanDerWaalsContact CD1-CG 3.46Å; W361-E365 HydrophobicContact CG-CG 4.29Å; W361-E365 VanDerWaalsContact NE1-CG 3.28Å; W361-E365 WeakPolarHBondContact O-CB 3.28Å; W361-E365 PolarHBondContact O-N 3.31Å; E365-R372 PolarHBondContact O-NE 2.94Å; E365-R372 PolarHBondContact O-NH1 3.4Å; E365-R372 PolarHBondContact O-NH2 3.39Å; E365-R372 IonicContact OE2-NH2 3.62Å
366	H	93.7	Very high	94.1	Very high	21 Å²	21	46.4 Å²	46.4	10%	0.097	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.6	-17.4	-177.9	-56.3	-72.5	0	0	0	113.4	V311 F316 I362 S374	V311-H366 WeakPolarHBondContact CG1-CE1 3.3Å; F316-H366 HydrophobicContact CD2-CB 4.1Å; I362-H366 WeakPolarHBondContact O-CA 3.4Å; I362-H366 WeakPolarHBondContact O-CB 3.25Å; I362-H366 PolarHBondContact O-N 3.18Å; H366-S374 VanDerWaalsContact O-CB 3.28Å; H366-S374 WeakPolarHBondContact O-CB 3.34Å; H366-S374 PolarHBondContact O-OG 3.16Å
367	G	94.4	Very high	94.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-74.9	174.1	176.6	0	0	0	0	0	114.6	I362 L363 S369 R372 L376	I362-G367 PolarHBondContact O-N 3.41Å; I362-G367 VanDerWaalsContact O-N 3.15Å; L363-G367 WeakPolarHBondContact O-CA 3.47Å; L363-G367 PolarHBondContact O-N 2.92Å; L363-G367 VanDerWaalsContact O-N 3.08Å; G367-S369 PolarHBondContact O-N 2.98Å; G367-R372 PolarHBondContact O-NH1 3.23Å; G367-L376 CarbonylContact C-O 3.54Å; G367-L376 WeakPolarHBondContact CA-O 3.42Å
368	R	94	Very high	94.1	Very high	72 Å²	72	46.4 Å²	46.4	27%	0.272	24%	0.242	S	C	.	.			trans	-58.5	129.9	177.8	-177.6	168.2	-91.3	-171.7	-7	111	S374 D375 L376 T377 H395 H496	R368-S374 VanDerWaalsContact CA-O 3.27Å; R368-S374 WeakPolarHBondContact CA-O 3.32Å; R368-S374 WeakPolarHBondContact CB-O 3.46Å; R368-S374 WeakPolarHBondContact CG-O 3.35Å; R368-S374 PolarHBondContact NE-O 3.25Å; R368-D375 IonicContact CZ-OD1 3.5Å; R368-D375 IonicContact NE-OD1 3.64Å; R368-D375 IonicContact NH2-OD1 3.65Å; R368-D375 PolarHBondContact NH2-OD1 2.82Å; R368-L376 PolarHBondContact N-O 2.79Å; R368-T377 HydrophobicContact CB-CG2 3.62Å; R368-T377 HydrophobicContact CG-CG2 4.38Å; R368-H395 PolarHBondContact NH1-CE1 3.41Å; R368-H496 PolarHBondContact NH1-CE1 3.14Å; R368-H496 PolarHBondContact NH1-NE2 3.36Å
369	S	89.9	Confident	94.1	Very high	47 Å²	47	46.4 Å²	46.4	33%	0.329	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-149.1	166.7	173.7	81.2	0	0	0	0	110.7	G367 S371 R372	G367-S369 PolarHBondContact O-N 2.98Å; S369-S371 PolarHBondContact O-N 2.9Å; S369-S371 VanDerWaalsContact O-N 3.14Å; S369-S371 PolarHBondContact OG-N 3.34Å; S369-S371 PolarHBondContact OG-OG 2.73Å; S369-R372 PolarHBondContact O-N 3.39Å; S369-R372 WeakPolarHBondContact OG-CB 3.25Å; S369-R372 PolarHBondContact OG-N 3.4Å
370	K	86.1	Confident	94.1	Very high	227 Å²	227	46.4 Å²	46.4	99%	0.987	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.7	179.2	-69.2	-175.2	178.8	179.8	0	113.6
371	S	86.5	Confident	94.1	Very high	117 Å²	117	45.6 Å²	45.6	82%	0.818	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-6.4	-177.7	54.3	0	0	0	0	113.7	S369	S369-S371 PolarHBondContact O-N 2.9Å; S369-S371 VanDerWaalsContact O-N 3.14Å; S369-S371 PolarHBondContact OG-N 3.34Å; S369-S371 PolarHBondContact OG-OG 2.73Å
372	R	87.4	Confident	94.2	Very high	79 Å²	79	44.2 Å²	44.2	30%	0.298	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-124	125.3	-175.8	-168.8	179.9	-62.8	123.8	-3	110.9	K364 E365 G367 S369 S374	K364-R372 PolarHBondContact O-NH1 3.09Å; E365-R372 PolarHBondContact O-NE 2.94Å; E365-R372 PolarHBondContact O-NH1 3.4Å; E365-R372 PolarHBondContact O-NH2 3.39Å; E365-R372 IonicContact OE2-NH2 3.62Å; G367-R372 PolarHBondContact O-NH1 3.23Å; S369-R372 PolarHBondContact O-N 3.39Å; S369-R372 WeakPolarHBondContact OG-CB 3.25Å; S369-R372 PolarHBondContact OG-N 3.4Å; R372-S374 PolarHBondContact O-N 3.03Å
373	A	87.8	Confident	94.2	Very high	103 Å²	103	44.8 Å²	44.8	85%	0.851	24%	0.237	S	C	*	.			trans	-75.7	76.5	167.6	0	0	0	0	0	109.5
374	S	92.6	Very high	94	Very high	1 Å²	1	50 Å²	50	1%	0.007	26%	0.264	C	S	.	.			trans	-129.2	141.9	172.8	170.9	0	0	0	0	108.6	H366 R368 R372 L376	H366-S374 VanDerWaalsContact O-CB 3.28Å; H366-S374 WeakPolarHBondContact O-CB 3.34Å; H366-S374 PolarHBondContact O-OG 3.16Å; R368-S374 VanDerWaalsContact CA-O 3.27Å; R368-S374 WeakPolarHBondContact CA-O 3.32Å; R368-S374 WeakPolarHBondContact CB-O 3.46Å; R368-S374 WeakPolarHBondContact CG-O 3.35Å; R368-S374 PolarHBondContact NE-O 3.25Å; R372-S374 PolarHBondContact O-N 3.03Å; S374-L376 PolarHBondContact OG-N 2.87Å
375	D	93.9	Very high	94	Very high	66 Å²	66	46.5 Å²	46.5	35%	0.353	25%	0.25	S	S	.	.			trans	-98	-8.1	177.7	-70.8	-20.5	0	0	0	112.9	P317 V319 T320 R368 T377	P317-D375 PolarHBondContact O-N 3.45Å; V319-D375 CarbonylContact O-C 3.58Å; V319-D375 VanDerWaalsContact O-C 3.26Å; T320-D375 WeakPolarHBondContact CA-O 3.23Å; T320-D375 HydrophobicContact CG2-CB 4.14Å; R368-D375 IonicContact CZ-OD1 3.5Å; R368-D375 IonicContact NE-OD1 3.64Å; R368-D375 IonicContact NH2-OD1 3.65Å; R368-D375 PolarHBondContact NH2-OD1 2.82Å; D375-T377 WeakPolarHBondContact O-CG2 2.84Å; D375-T377 PolarHBondContact O-N 3.44Å; D375-T377 VanDerWaalsContact O-N 3.11Å; D375-T377 PolarHBondContact O-OG1 2.85Å
376	L	96.8	Very high	94.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.229	C	C	.	.			trans	-66	113.9	-176.9	177.1	66.5	0	0	0	110.8	F316 V319 L322 I362 L363 G367 R368 S374 R378	F316-L376 HydrophobicContact CD2-CD2 4.02Å; F316-L376 HydrophobicContact CG-CD2 4.48Å; V319-L376 HydrophobicContact CG2-CD1 4.49Å; V319-L376 WeakPolarHBondContact O-CA 3.43Å; V319-L376 WeakPolarHBondContact O-CB 3.42Å; V319-L376 PolarHBondContact O-N 2.95Å; L322-L376 HydrophobicContact CB-CD1 4.06Å; I362-L376 HydrophobicContact CG2-CD2 4.08Å; L363-L376 HydrophobicContact CD2-CG 4.13Å; G367-L376 CarbonylContact C-O 3.54Å; G367-L376 WeakPolarHBondContact CA-O 3.42Å; R368-L376 PolarHBondContact N-O 2.79Å; S374-L376 PolarHBondContact OG-N 2.87Å; L376-R378 WeakPolarHBondContact CD1-O 3.39Å
377	T	97.9	Very high	94.5	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.031	23%	0.225	C	C	.	.			trans	-134.9	-1	-175.5	50.5	0	0	0	0	113.1	T320 R368 D375 T391 V392 H395 W396	T320-T377 PolarHBondContact O-N 3.25Å; T320-T377 PolarHBondContact O-OG1 3.03Å; R368-T377 HydrophobicContact CB-CG2 3.62Å; R368-T377 HydrophobicContact CG-CG2 4.38Å; D375-T377 WeakPolarHBondContact O-CG2 2.84Å; D375-T377 PolarHBondContact O-N 3.44Å; D375-T377 VanDerWaalsContact O-N 3.11Å; D375-T377 PolarHBondContact O-OG1 2.85Å; T377-T391 CarbonylContact O-C 3.54Å; T377-T391 VanDerWaalsContact O-CA 3.23Å; T377-T391 WeakPolarHBondContact O-CA 3.35Å; T377-V392 HydrophobicContact CG2-CB 4.09Å; T377-V392 HydrophobicContact CG2-CG2 4.3Å; T377-V392 PolarHBondContact O-N 3.05Å; T377-H395 HydrophobicContact CG2-CB 4.21Å; T377-H395 VanDerWaalsContact CG2-CD2 3.49Å; T377-H395 WeakPolarHBondContact CG2-CD2 3.09Å; T377-W396 PolarHBondContact OG1-NE1 3.36Å
378	R	98.8	Very high	94.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	136.3	-178.6	176.9	179.2	180	-68.3	-2.1	111.6	T320 S321 L322 L376 L389 A390 T391 W396 G487 S491	T320-R378 PolarHBondContact O-N 3.26Å; S321-R378 CarbonylContact C-O 3.55Å; S321-R378 VanDerWaalsContact CA-O 3.23Å; S321-R378 WeakPolarHBondContact CA-O 3.36Å; S321-R378 WeakPolarHBondContact OG-CD 3.23Å; S321-R378 WeakPolarHBondContact OG-CG 3.33Å; S321-R378 PolarHBondContact OG-NH1 3.32Å; L322-R378 PolarHBondContact N-O 2.82Å; L376-R378 WeakPolarHBondContact CD1-O 3.39Å; R378-L389 HydrophobicContact CG-CD1 4.06Å; R378-A390 CarbonylContact C-O 3.52Å; R378-A390 WeakPolarHBondContact CA-O 3.43Å; R378-T391 HydrophobicContact CB-CG2 4.16Å; R378-T391 HydrophobicContact CG-CG2 4.02Å; R378-W396 HydrophobicContact CB-CD2 4.25Å; R378-W396 HydrophobicContact CB-CG 4.48Å; R378-W396 HydrophobicContact CB-CZ2 3.9Å; R378-W396 HydrophobicContact CG-CD2 4.48Å; R378-W396 HydrophobicContact CG-CZ2 4.44Å; R378-G487 PolarHBondContact NH2-O 3.28Å; R378-S491 PolarHBondContact NE-OG 2.79Å; R378-S491 PolarHBondContact NH2-OG 2.88Å
379	I	98.9	Very high	95	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	122.6	167.8	-49.7	175.8	0	0	0	108.2	L322 L359 I362 L363 A390	L322-I379 HydrophobicContact CB-CG1 4.26Å; L322-I379 HydrophobicContact CB-CG2 4.26Å; L322-I379 HydrophobicContact CD2-CG1 4.48Å; L322-I379 HydrophobicContact CD2-CG2 4.3Å; L322-I379 HydrophobicContact CG-CG2 4.42Å; L322-I379 CarbonylContact O-C 3.57Å; L322-I379 WeakPolarHBondContact O-CA 3.37Å; L359-I379 HydrophobicContact CD2-CB 4.15Å; L359-I379 HydrophobicContact CD2-CD1 4.15Å; L359-I379 HydrophobicContact CD2-CG2 3.58Å; I362-I379 HydrophobicContact CB-CD1 3.77Å; I362-I379 HydrophobicContact CD1-CD1 4.28Å; I362-I379 HydrophobicContact CG2-CD1 3.57Å; L363-I379 HydrophobicContact CD2-CD1 3.94Å; L363-I379 HydrophobicContact CD2-CG1 3.89Å; L363-I379 HydrophobicContact CG-CD1 3.79Å; L363-I379 HydrophobicContact CG-CG1 4.15Å; I379-A390 PolarHBondContact N-O 3.46Å; I379-A390 PolarHBondContact O-N 3.01Å
380	H	98.9	Very high	95.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	98.5	170.8	-167.6	-166.7	0	0	0	108.9	L322 G323 L324 L389 I483	L322-H380 PolarHBondContact O-N 3.3Å; G323-H380 WeakPolarHBondContact CA-O 3.37Å; L324-H380 PolarHBondContact N-O 2.75Å; H380-L389 HydrophobicContact CB-CD1 3.63Å; H380-I483 PolarHBondContact CE1-O 3.41Å
381	F	98.9	Very high	96	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	129.1	174.7	173.8	-96.1	0	0	0	109.9	L324 E326 L329 V355 L359 T383 Y386 H387 I388	L324-F381 HydrophobicContact CD1-CD2 3.94Å; L324-F381 WeakPolarHBondContact O-CA 3.5Å; E326-F381 HydrophobicContact CB-CE2 4.21Å; E326-F381 HydrophobicContact CB-CZ 4.03Å; L329-F381 HydrophobicContact CB-CD2 4.4Å; L329-F381 HydrophobicContact CB-CE2 4.09Å; L329-F381 HydrophobicContact CD2-CD2 3.76Å; L329-F381 HydrophobicContact CD2-CE2 3.55Å; L329-F381 HydrophobicContact CD2-CZ 4.37Å; L329-F381 HydrophobicContact CG-CE2 4.43Å; V355-F381 HydrophobicContact CG1-CD1 3.7Å; V355-F381 HydrophobicContact CG1-CD2 4.12Å; V355-F381 HydrophobicContact CG1-CE1 3.6Å; V355-F381 HydrophobicContact CG1-CE2 4.01Å; V355-F381 HydrophobicContact CG1-CG 3.96Å; V355-F381 HydrophobicContact CG1-CZ 3.75Å; V355-F381 HydrophobicContact CG2-CE1 4.29Å; V355-F381 HydrophobicContact CG2-CE2 4.46Å; V355-F381 HydrophobicContact CG2-CZ 3.9Å; L359-F381 HydrophobicContact CD1-CB 3.84Å; L359-F381 HydrophobicContact CD1-CG 4.28Å; L359-F381 HydrophobicContact CD2-CB 4.09Å; F381-T383 HydrophobicContact CE1-CG2 3.81Å; F381-T383 HydrophobicContact CZ-CG2 4.15Å; F381-Y386 HydrophobicContact CD1-CE2 4.05Å; F381-Y386 HydrophobicContact CE1-CD2 4.26Å; F381-Y386 AromaticContact CE1-CE2 3.51Å; F381-Y386 HydrophobicContact CE1-CE2 3.51Å; F381-Y386 AromaticContact CE1-CZ 3.98Å; F381-H387 CarbonylContact O-C 3.58Å; F381-H387 WeakPolarHBondContact O-CA 3.34Å; F381-H387 WeakPolarHBondContact O-CB 3.38Å; F381-I388 HydrophobicContact CB-CB 4.27Å; F381-I388 WeakPolarHBondContact CB-O 3.28Å; F381-I388 HydrophobicContact CD1-CB 4.23Å; F381-I388 HydrophobicContact CD1-CG1 4.36Å; F381-I388 PolarHBondContact N-O 3.2Å; F381-I388 PolarHBondContact O-N 2.92Å
382	H	98.4	Very high	96.6	Very high	13 Å²	13	20.4 Å²	20.4	6%	0.06	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	125.1	177.1	50	80	0	0	0	110.8	E297 L324 N325 I483	E297-H382 IonicContact OE1-CE1 3.87Å; E297-H382 IonicContact OE1-NE2 3.47Å; E297-H382 PolarHBondContact OE1-NE2 3.1Å; L324-H382 PolarHBondContact O-N 2.63Å; L324-H382 VanDerWaalsContact O-N 3.14Å; N325-H382 WeakPolarHBondContact CA-O 3.38Å; N325-H382 WeakPolarHBondContact CB-O 3.47Å; H382-I483 HydrophobicContact CB-CD1 4.39Å; H382-I483 HydrophobicContact CB-CG2 3.82Å
383	T	96.3	Very high	97	Very high	11 Å²	11	19.7 Å²	19.7	7%	0.067	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	170.9	168.7	-168.3	0	0	0	0	109.5	E326 F381 V385 Y386 H387	E326-T383 WeakPolarHBondContact OE2-CB 3.47Å; E326-T383 PolarHBondContact OE2-OG1 3.39Å; F381-T383 HydrophobicContact CE1-CG2 3.81Å; F381-T383 HydrophobicContact CZ-CG2 4.15Å; T383-V385 PolarHBondContact O-N 3.22Å; T383-Y386 HydrophobicContact CG2-CD1 3.74Å; T383-Y386 HydrophobicContact CG2-CD2 4.13Å; T383-Y386 HydrophobicContact CG2-CE1 3.63Å; T383-Y386 HydrophobicContact CG2-CE2 4.04Å; T383-Y386 HydrophobicContact CG2-CG 3.98Å; T383-Y386 WeakPolarHBondContact CG2-O 3.32Å; T383-Y386 PolarHBondContact N-O 3.26Å; T383-Y386 VanDerWaalsContact N-O 3.1Å; T383-Y386 PolarHBondContact O-N 3.41Å; T383-Y386 VanDerWaalsContact O-O 3.11Å; T383-H387 PolarHBondContact O-CD2 3.28Å
384	L	93.3	Very high	97.4	Very high	114 Å²	114	17.7 Å²	17.7	60%	0.597	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-40.4	-171.7	179	63.3	0	0	0	114.1	V469	L384-V469 HydrophobicContact CD1-CG1 3.97Å; L384-V469 HydrophobicContact CG-CG1 4.41Å; L384-V469 VanDerWaalsContact O-CG2 3.3Å; L384-V469 WeakPolarHBondContact O-CG2 3.33Å
385	V	97.1	Very high	97.6	Very high	8 Å²	8	19.1 Å²	19.1	5%	0.048	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-8.6	-168.5	-49	0	0	0	0	114.5	V349 T383 R428 P466 V467 V469	V349-V385 HydrophobicContact CB-CG2 4.36Å; V349-V385 HydrophobicContact CG1-CG2 3.48Å; V349-V385 VanDerWaalsContact CG1-CG2 3.48Å; V349-V385 HydrophobicContact CG2-CG1 4.44Å; V349-V385 HydrophobicContact CG2-CG2 3.9Å; T383-V385 PolarHBondContact O-N 3.22Å; V385-R428 HydrophobicContact CB-CB 4.12Å; V385-R428 HydrophobicContact CG1-CB 3.7Å; V385-P466 CarbonylContact O-C 3.55Å; V385-P466 WeakPolarHBondContact O-CA 3.23Å; V385-V467 PolarHBondContact O-N 2.9Å; V385-V469 HydrophobicContact CG1-CG2 4.23Å
386	Y	98.8	Very high	97.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	155.9	175	69.1	-96.5	0	0	0	111.4	V349 P350 V352 V355 F381 T383 I388 F464 T465	V349-Y386 HydrophobicContact CG1-CD1 4.28Å; V349-Y386 HydrophobicContact CG1-CE1 3.89Å; P350-Y386 VanDerWaalsContact O-CE1 3.28Å; P350-Y386 WeakPolarHBondContact O-CE1 3.44Å; P350-Y386 PolarHBondContact O-OH 3.42Å; V352-Y386 HydrophobicContact CG2-CD1 4.36Å; V352-Y386 HydrophobicContact CG2-CE1 3.94Å; V352-Y386 HydrophobicContact CG2-CE2 4.21Å; V355-Y386 VanDerWaalsContact CG2-OH 3.31Å; V355-Y386 WeakPolarHBondContact CG2-OH 3.46Å; F381-Y386 HydrophobicContact CD1-CE2 4.05Å; F381-Y386 HydrophobicContact CE1-CD2 4.26Å; F381-Y386 AromaticContact CE1-CE2 3.51Å; F381-Y386 HydrophobicContact CE1-CE2 3.51Å; F381-Y386 AromaticContact CE1-CZ 3.98Å; T383-Y386 HydrophobicContact CG2-CD1 3.74Å; T383-Y386 HydrophobicContact CG2-CD2 4.13Å; T383-Y386 HydrophobicContact CG2-CE1 3.63Å; T383-Y386 HydrophobicContact CG2-CE2 4.04Å; T383-Y386 HydrophobicContact CG2-CG 3.98Å; T383-Y386 WeakPolarHBondContact CG2-O 3.32Å; T383-Y386 PolarHBondContact N-O 3.26Å; T383-Y386 VanDerWaalsContact N-O 3.1Å; T383-Y386 PolarHBondContact O-N 3.41Å; T383-Y386 VanDerWaalsContact O-O 3.11Å; Y386-I388 HydrophobicContact CD2-CD1 4.24Å; Y386-I388 HydrophobicContact CD2-CG1 3.96Å; Y386-I388 HydrophobicContact CE2-CD1 3.75Å; Y386-I388 HydrophobicContact CE2-CG1 3.94Å; Y386-F464 VanDerWaalsContact CB-CE2 3.45Å; Y386-F464 HydrophobicContact CD1-CE2 4.17Å; Y386-F464 AromaticContact CD2-CD2 3.87Å; Y386-F464 HydrophobicContact CD2-CD2 3.87Å; Y386-F464 AromaticContact CD2-CE2 3.42Å; Y386-F464 HydrophobicContact CD2-CE2 3.42Å; Y386-F464 VanDerWaalsContact CD2-CE2 3.42Å; Y386-F464 HydrophobicContact CD2-CZ 4.39Å; Y386-F464 HydrophobicContact CE2-CE2 4.17Å; Y386-F464 HydrophobicContact CG-CD2 4.29Å; Y386-F464 AromaticContact CG-CE2 3.43Å; Y386-F464 HydrophobicContact CG-CE2 3.43Å; Y386-F464 VanDerWaalsContact CG-CE2 3.43Å; Y386-F464 AromaticContact CG-CZ 3.99Å; Y386-F464 HydrophobicContact CG-CZ 3.99Å; Y386-T465 WeakPolarHBondContact CA-O 3.25Å; Y386-T465 WeakPolarHBondContact CB-O 3.43Å
387	H	98.9	Very high	97.8	Very high	2 Å²	2	18 Å²	18	1%	0.009	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	153.5	171.5	-57.5	168.3	0	0	0	110.4	F381 T383 V403 G406 A407 F464 T465 V467 I483	F381-H387 CarbonylContact O-C 3.58Å; F381-H387 WeakPolarHBondContact O-CA 3.34Å; F381-H387 WeakPolarHBondContact O-CB 3.38Å; T383-H387 PolarHBondContact O-CD2 3.28Å; H387-V403 HydrophobicContact CB-CG2 3.92Å; H387-G406 PolarHBondContact CE1-O 2.84Å; H387-A407 VanDerWaalsContact CE1-CA 3.49Å; H387-A407 WeakPolarHBondContact CE1-CA 3.14Å; H387-A407 WeakPolarHBondContact ND1-CA 3.43Å; H387-A407 PolarHBondContact ND1-N 3.21Å; H387-F464 WeakPolarHBondContact O-CA 3.48Å; H387-T465 PolarHBondContact N-O 3.05Å; H387-T465 PolarHBondContact O-N 2.53Å; H387-T465 VanDerWaalsContact O-N 3.12Å; H387-V467 WeakPolarHBondContact NE2-CG2 3.25Å; H387-I483 WeakPolarHBondContact CE1-CG2 3.44Å
388	I	98.9	Very high	97.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	128.8	172.6	-60.5	176.4	0	0	0	109	V352 V355 L359 F381 Y386 W455 F462 H463 F464	V352-I388 HydrophobicContact CG1-CD1 4.06Å; V355-I388 HydrophobicContact CG1-CD1 3.91Å; L359-I388 HydrophobicContact CD1-CB 4.12Å; L359-I388 HydrophobicContact CD1-CD1 4.49Å; L359-I388 HydrophobicContact CD1-CG2 3.83Å; F381-I388 HydrophobicContact CB-CB 4.27Å; F381-I388 WeakPolarHBondContact CB-O 3.28Å; F381-I388 HydrophobicContact CD1-CB 4.23Å; F381-I388 HydrophobicContact CD1-CG1 4.36Å; F381-I388 PolarHBondContact N-O 3.2Å; F381-I388 PolarHBondContact O-N 2.92Å; Y386-I388 HydrophobicContact CD2-CD1 4.24Å; Y386-I388 HydrophobicContact CD2-CG1 3.96Å; Y386-I388 HydrophobicContact CE2-CD1 3.75Å; Y386-I388 HydrophobicContact CE2-CG1 3.94Å; I388-W455 HydrophobicContact CD1-CH2 4.4Å; I388-F462 HydrophobicContact CG2-CD1 3.97Å; I388-H463 CarbonylContact C-O 3.56Å; I388-H463 VanDerWaalsContact CA-O 3.32Å; I388-H463 WeakPolarHBondContact CA-O 3.49Å; I388-F464 HydrophobicContact CD1-CD2 4.23Å; I388-F464 HydrophobicContact CG1-CB 4.41Å; I388-F464 HydrophobicContact CG1-CD2 3.85Å
389	L	98.9	Very high	97.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	104.8	169.9	-166.5	56.7	0	0	0	108.9	R378 H380 Q399 A402 V403 H463	R378-L389 HydrophobicContact CG-CD1 4.06Å; H380-L389 HydrophobicContact CB-CD1 3.63Å; L389-Q399 HydrophobicContact CD2-CB 4.04Å; L389-A402 HydrophobicContact CD2-CB 3.83Å; L389-V403 HydrophobicContact CB-CB 3.83Å; L389-V403 HydrophobicContact CB-CG2 3.86Å; L389-V403 HydrophobicContact CD2-CB 4.2Å; L389-H463 HydrophobicContact CB-CB 4.31Å; L389-H463 PolarHBondContact N-O 2.68Å; L389-H463 PolarHBondContact O-N 3.11Å; L389-H463 PolarHBondContact O-ND1 3.3Å
390	A	98.9	Very high	97.8	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	129.5	179.3	0	0	0	0	0	110	L359 L363 R378 I379 S461 F462	L359-A390 HydrophobicContact CB-CB 4.32Å; L359-A390 HydrophobicContact CD1-CB 4.4Å; L363-A390 HydrophobicContact CD1-CB 4.08Å; R378-A390 CarbonylContact C-O 3.52Å; R378-A390 WeakPolarHBondContact CA-O 3.43Å; I379-A390 PolarHBondContact N-O 3.46Å; I379-A390 PolarHBondContact O-N 3.01Å; A390-S461 CarbonylContact C-O 3.59Å; A390-S461 WeakPolarHBondContact CA-O 3.13Å; A390-F462 HydrophobicContact CB-CD1 3.82Å; A390-F462 HydrophobicContact CB-CE1 3.79Å; A390-F462 HydrophobicContact CB-CZ 4.49Å
391	T	98.7	Very high	97.8	Very high	5 Å²	5	23 Å²	23	3%	0.031	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	138.9	-176.5	51.8	0	0	0	0	112	T377 R378 W396 Q399 I460 S461	T377-T391 CarbonylContact O-C 3.54Å; T377-T391 VanDerWaalsContact O-CA 3.23Å; T377-T391 WeakPolarHBondContact O-CA 3.35Å; R378-T391 HydrophobicContact CB-CG2 4.16Å; R378-T391 HydrophobicContact CG-CG2 4.02Å; T391-W396 HydrophobicContact CG2-CB 4.05Å; T391-W396 HydrophobicContact CG2-CG 4.12Å; T391-Q399 HydrophobicContact CG2-CG 4.16Å; T391-I460 CarbonylContact O-C 3.56Å; T391-I460 WeakPolarHBondContact O-CA 3.31Å; T391-S461 PolarHBondContact N-O 3.44Å; T391-S461 PolarHBondContact O-N 3.5Å
392	V	98.2	Very high	97.8	Very high	21 Å²	21	23 Å²	23	13%	0.127	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	130.3	164.8	-177.8	0	0	0	0	108.3	L363 T377 I460	L363-V392 HydrophobicContact CB-CG2 4.41Å; L363-V392 HydrophobicContact CD1-CG2 4.34Å; L363-V392 HydrophobicContact CD2-CG2 4.17Å; T377-V392 HydrophobicContact CG2-CB 4.09Å; T377-V392 HydrophobicContact CG2-CG2 4.3Å; T377-V392 PolarHBondContact O-N 3.05Å; V392-I460 HydrophobicContact CG2-CG1 4.41Å
393	D	97.1	Very high	97.8	Very high	65 Å²	65	22.4 Å²	22.4	35%	0.348	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	143.8	-171.5	-67.1	-8.1	0	0	0	112.2	H395 G459 S461	D393-H395 VanDerWaalsContact C-N 3.33Å; D393-H395 PolarHBondContact O-N 3.15Å; D393-G459 WeakPolarHBondContact CB-O 3.49Å; D393-G459 PolarHBondContact N-O 3.06Å; D393-G459 VanDerWaalsContact OD2-C 3.27Å; D393-G459 VanDerWaalsContact OD2-CA 3.25Å; D393-G459 WeakPolarHBondContact OD2-CA 3.44Å; D393-S461 WeakPolarHBondContact OD1-CB 3.31Å; D393-S461 PolarHBondContact OD1-N 3.36Å; D393-S461 PolarHBondContact OD1-OG 3.26Å
394	G	95.4	Very high	98	Very high	60 Å²	60	21.9 Å²	21.9	62%	0.619	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.7	2.1	176	0	0	0	0	0	115.7	H494	G394-H494 PolarHBondContact O-CD2 3.46Å
395	H	95.8	Very high	98.2	Very high	32 Å²	32	16.5 Å²	16.5	15%	0.148	10%	0.104	C	C	.	.	S	Bend	trans	-103.6	-27.6	179	-68.7	-66.4	0	0	0	114.6	R368 T377 D393 H494 H496	R368-H395 PolarHBondContact NH1-CE1 3.41Å; T377-H395 HydrophobicContact CG2-CB 4.21Å; T377-H395 VanDerWaalsContact CG2-CD2 3.49Å; T377-H395 WeakPolarHBondContact CG2-CD2 3.09Å; D393-H395 VanDerWaalsContact C-N 3.33Å; D393-H395 PolarHBondContact O-N 3.15Å; H395-H494 PolarHBondContact O-N 3.07Å; H395-H496 AromaticContact ND1-CE1 3.5Å; H395-H496 PolarHBondContact ND1-CE1 3.26Å; H395-H496 AromaticContact ND1-ND1 3.97Å
396	W	97.9	Very high	98.3	Very high	17 Å²	17	16.1 Å²	16.1	6%	0.064	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.4	-172.8	-63.9	88	0	0	0	112.1	P293 T377 R378 T391 Q399 E492 V493	P293-W396 HydrophobicContact CB-CH2 4.22Å; T377-W396 PolarHBondContact OG1-NE1 3.36Å; R378-W396 HydrophobicContact CB-CD2 4.25Å; R378-W396 HydrophobicContact CB-CG 4.48Å; R378-W396 HydrophobicContact CB-CZ2 3.9Å; R378-W396 HydrophobicContact CG-CD2 4.48Å; R378-W396 HydrophobicContact CG-CZ2 4.44Å; T391-W396 HydrophobicContact CG2-CB 4.05Å; T391-W396 HydrophobicContact CG2-CG 4.12Å; W396-Q399 HydrophobicContact CB-CG 4.04Å; W396-E492 CarbonylContact C-O 3.59Å; W396-E492 VanDerWaalsContact CA-O 3.3Å; W396-E492 WeakPolarHBondContact CA-O 3.36Å; W396-V493 HydrophobicContact CD2-CG2 4.01Å; W396-V493 HydrophobicContact CE3-CG2 3.55Å; W396-V493 HydrophobicContact CH2-CG2 3.31Å; W396-V493 HydrophobicContact CZ2-CG2 3.76Å; W396-V493 HydrophobicContact CZ3-CG2 3.2Å
397	A	98	Very high	98.3	Very high	24 Å²	24	16.1 Å²	16.1	20%	0.198	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	161.2	176.6	0	0	0	0	0	112	Q399 E492	A397-Q399 VanDerWaalsContact C-N 3.3Å; A397-Q399 PolarHBondContact O-N 2.91Å; A397-Q399 PolarHBondContact O-OE1 3.49Å; A397-E492 HydrophobicContact CB-CB 4.15Å; A397-E492 PolarHBondContact N-O 2.71Å; A397-E492 PolarHBondContact O-N 3.32Å
398	N	98.4	Very high	98.3	Very high	44 Å²	44	18.5 Å²	18.5	24%	0.235	11%	0.111	C	C	.	.			trans	68.3	22.6	-178.1	-156.9	43.1	0	0	0	114.8	V66 P68 L400 A401 A402 Y490	V66-N398 PolarHBondContact O-ND2 3.08Å; P68-N398 HydrophobicContact CB-CB 4.18Å; N398-L400 VanDerWaalsContact C-N 3.32Å; N398-L400 PolarHBondContact O-N 3.3Å; N398-A401 PolarHBondContact O-N 2.64Å; N398-A401 WeakPolarHBondContact OD1-CB 3.23Å; N398-A402 WeakPolarHBondContact O-CB 3.34Å; N398-A402 PolarHBondContact O-N 2.97Å; N398-Y490 WeakPolarHBondContact CB-O 3.37Å; N398-Y490 PolarHBondContact ND2-O 3.23Å
399	Q	98.6	Very high	98.3	Very high	7 Å²	7	18.7 Å²	18.7	3%	0.033	11%	0.112	C	C	.	.	H	α-helix	trans	-66.6	-29	-173.2	-56	-52.1	99.7	0	0	114	L389 T391 W396 A397 A402 V403 H463	L389-Q399 HydrophobicContact CD2-CB 4.04Å; T391-Q399 HydrophobicContact CG2-CG 4.16Å; W396-Q399 HydrophobicContact CB-CG 4.04Å; A397-Q399 VanDerWaalsContact C-N 3.3Å; A397-Q399 PolarHBondContact O-N 2.91Å; A397-Q399 PolarHBondContact O-OE1 3.49Å; Q399-A402 PolarHBondContact O-N 3.39Å; Q399-V403 PolarHBondContact O-N 3.46Å; Q399-H463 VanDerWaalsContact CB-CE1 3.42Å; Q399-H463 WeakPolarHBondContact CB-CE1 3.4Å
400	L	98.8	Very high	98.2	Very high	59 Å²	59	19 Å²	19	31%	0.309	11%	0.114	S	C	.	.	H	α-helix	trans	-61.9	-47.9	173.5	-67.7	173.7	0	0	0	111.9	N398 A404 V452 E454	N398-L400 VanDerWaalsContact C-N 3.32Å; N398-L400 PolarHBondContact O-N 3.3Å; L400-A404 WeakPolarHBondContact O-CB 3.27Å; L400-A404 PolarHBondContact O-N 2.85Å; L400-V452 HydrophobicContact CB-CG1 4.34Å; L400-V452 HydrophobicContact CD2-CB 4.27Å; L400-V452 HydrophobicContact CD2-CG1 3.44Å; L400-V452 VanDerWaalsContact CD2-CG1 3.44Å; L400-E454 HydrophobicContact CD2-CB 4.35Å
401	A	98.8	Very high	98	Very high	2 Å²	2	19 Å²	19	2%	0.017	11%	0.114	C	C	.	.	H	α-helix	trans	-69.4	-37.7	176.3	0	0	0	0	0	111.1	N398 A404 A405	N398-A401 PolarHBondContact O-N 2.64Å; N398-A401 WeakPolarHBondContact OD1-CB 3.23Å; A401-A404 PolarHBondContact O-N 3.35Å; A401-A405 VanDerWaalsContact O-CB 3.29Å; A401-A405 WeakPolarHBondContact O-CB 3.47Å; A401-A405 PolarHBondContact O-N 3.39Å
402	A	98.8	Very high	97.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.9	-49.3	179.8	0	0	0	0	0	113.2	L389 N398 Q399 A404 A405 G406 G487	L389-A402 HydrophobicContact CD2-CB 3.83Å; N398-A402 WeakPolarHBondContact O-CB 3.34Å; N398-A402 PolarHBondContact O-N 2.97Å; Q399-A402 PolarHBondContact O-N 3.39Å; A402-A404 VanDerWaalsContact C-N 3.33Å; A402-A404 PolarHBondContact O-N 3.38Å; A402-A405 PolarHBondContact O-N 2.91Å; A402-G406 PolarHBondContact O-N 3.03Å; A402-G487 WeakPolarHBondContact CB-O 3.2Å
403	V	98.9	Very high	97.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.8	-36	179.2	76.5	0	0	0	0	111.5	H387 L389 Q399 G406 A407 V452 H463 T465	H387-V403 HydrophobicContact CB-CG2 3.92Å; L389-V403 HydrophobicContact CB-CB 3.83Å; L389-V403 HydrophobicContact CB-CG2 3.86Å; L389-V403 HydrophobicContact CD2-CB 4.2Å; Q399-V403 PolarHBondContact O-N 3.46Å; V403-G406 PolarHBondContact O-N 3.19Å; V403-A407 WeakPolarHBondContact O-CB 3.37Å; V403-A407 PolarHBondContact O-N 2.94Å; V403-V452 HydrophobicContact CG1-CG1 3.8Å; V403-H463 HydrophobicContact CG1-CB 3.9Å; V403-T465 HydrophobicContact CB-CG2 4.43Å; V403-T465 HydrophobicContact CG1-CG2 4.03Å; V403-T465 HydrophobicContact CG2-CG2 3.97Å; V403-T465 WeakPolarHBondContact O-CG2 3.34Å
404	A	98.9	Very high	97.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64	-42.9	173.4	0	0	0	0	0	112.4	W61 L64 I65 L400 A401 A402 A407 R408 V452	W61-A404 HydrophobicContact CG-CB 4.27Å; L64-A404 HydrophobicContact CD2-CB 4.32Å; I65-A404 HydrophobicContact CD1-CB 3.95Å; I65-A404 HydrophobicContact CG1-CB 3.69Å; L400-A404 WeakPolarHBondContact O-CB 3.27Å; L400-A404 PolarHBondContact O-N 2.85Å; A401-A404 PolarHBondContact O-N 3.35Å; A402-A404 VanDerWaalsContact C-N 3.33Å; A402-A404 PolarHBondContact O-N 3.38Å; A404-A407 PolarHBondContact O-N 2.96Å; A404-R408 WeakPolarHBondContact O-CB 3.39Å; A404-R408 PolarHBondContact O-N 3.36Å; A404-V452 HydrophobicContact CB-CG2 3.91Å
405	A	98.9	Very high	97.5	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.6	-44.7	176.9	0	0	0	0	0	111.2	I65 A401 A402 A407 R408 V409 E486 Y490	I65-A405 HydrophobicContact CD1-CB 4.42Å; I65-A405 HydrophobicContact CG2-CB 4.03Å; A401-A405 VanDerWaalsContact O-CB 3.29Å; A401-A405 WeakPolarHBondContact O-CB 3.47Å; A401-A405 PolarHBondContact O-N 3.39Å; A402-A405 PolarHBondContact O-N 2.91Å; A405-A407 PolarHBondContact O-N 3.05Å; A405-R408 PolarHBondContact O-N 3.37Å; A405-V409 PolarHBondContact O-N 2.74Å; A405-E486 HydrophobicContact CB-CG 3.82Å; A405-Y490 HydrophobicContact CB-CD1 4.3Å; A405-Y490 HydrophobicContact CB-CD2 3.53Å; A405-Y490 HydrophobicContact CB-CE2 3.78Å; A405-Y490 HydrophobicContact CB-CG 3.81Å
406	G	98.7	Very high	97.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-55.1	-47.3	171.2	0	0	0	0	0	112.5	H387 A402 V403 V409 A410	H387-G406 PolarHBondContact CE1-O 2.84Å; A402-G406 PolarHBondContact O-N 3.03Å; V403-G406 PolarHBondContact O-N 3.19Å; G406-V409 WeakPolarHBondContact O-CG1 3.41Å; G406-A410 PolarHBondContact O-N 3.02Å
407	A	98.8	Very high	97.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-68.9	-33	178.1	0	0	0	0	0	113.8	W61 H387 V403 A404 A405 A410 T465 V467	W61-A407 HydrophobicContact CH2-CB 3.7Å; W61-A407 HydrophobicContact CZ2-CB 3.5Å; H387-A407 VanDerWaalsContact CE1-CA 3.49Å; H387-A407 WeakPolarHBondContact CE1-CA 3.14Å; H387-A407 WeakPolarHBondContact ND1-CA 3.43Å; H387-A407 PolarHBondContact ND1-N 3.21Å; V403-A407 WeakPolarHBondContact O-CB 3.37Å; V403-A407 PolarHBondContact O-N 2.94Å; A404-A407 PolarHBondContact O-N 2.96Å; A405-A407 PolarHBondContact O-N 3.05Å; A407-A410 WeakPolarHBondContact O-CB 3.33Å; A407-T465 HydrophobicContact CB-CG2 3.5Å; A407-V467 HydrophobicContact CB-CG2 4.18Å
408	R	98.7	Very high	97.1	Very high	53 Å²	53	27.1 Å²	27.1	20%	0.2	15%	0.146	C	C	.	.	H	α-helix	trans	-68.1	-45	175.9	-172.5	176.6	67.1	-178.1	-2.6	111.2	W61 D62 I65 A404 A405 A410 G411 T412 I420	W61-R408 HydrophobicContact CE3-CB 4.06Å; W61-R408 HydrophobicContact CE3-CG 4.33Å; W61-R408 HydrophobicContact CZ3-CB 4.23Å; D62-R408 IonicContact OD1-NH1 3.65Å; D62-R408 PolarHBondContact OD1-NH1 3.27Å; I65-R408 HydrophobicContact CD1-CB 4.2Å; A404-R408 WeakPolarHBondContact O-CB 3.39Å; A404-R408 PolarHBondContact O-N 3.36Å; A405-R408 PolarHBondContact O-N 3.37Å; R408-A410 PolarHBondContact O-N 3.22Å; R408-G411 PolarHBondContact O-N 3.28Å; R408-G411 VanDerWaalsContact O-N 3.1Å; R408-T412 HydrophobicContact CG-CG2 4.38Å; R408-T412 PolarHBondContact O-N 3Å; R408-T412 PolarHBondContact O-OG1 2.85Å; R408-I420 HydrophobicContact CG-CD1 4.22Å; R408-I420 HydrophobicContact CG-CG1 3.98Å
409	V	98.3	Very high	97	Very high	4 Å²	4	30 Å²	30	2%	0.024	17%	0.165	C	C	.	.	H	α-helix	trans	-63	-33.4	179.9	71.2	0	0	0	0	111.8	K166 A405 G406 G411 T412 Q413 I483 E486	K166-V409 HydrophobicContact CD-CG2 4.44Å; A405-V409 PolarHBondContact O-N 2.74Å; G406-V409 WeakPolarHBondContact O-CG1 3.41Å; V409-G411 VanDerWaalsContact C-N 3.29Å; V409-G411 PolarHBondContact O-N 3.24Å; V409-T412 WeakPolarHBondContact CA-OG1 3.37Å; V409-T412 PolarHBondContact O-N 3.41Å; V409-T412 PolarHBondContact O-OG1 3.29Å; V409-Q413 HydrophobicContact CG2-CB 4.35Å; V409-Q413 WeakPolarHBondContact O-CB 3.17Å; V409-Q413 PolarHBondContact O-N 3.08Å; V409-I483 HydrophobicContact CG1-CG1 4.12Å; V409-E486 HydrophobicContact CB-CB 4.33Å; V409-E486 HydrophobicContact CB-CG 4.2Å; V409-E486 HydrophobicContact CG1-CB 3.72Å; V409-E486 HydrophobicContact CG1-CG 4.06Å
410	A	96.8	Very high	97	Very high	5 Å²	5	30.8 Å²	30.8	4%	0.041	17%	0.169	C	C	.	.	H	α-helix	trans	-56	-43.7	173.6	0	0	0	0	0	112.2	G406 A407 R408 A414 V467 L479 I483	G406-A410 PolarHBondContact O-N 3.02Å; A407-A410 WeakPolarHBondContact O-CB 3.33Å; R408-A410 PolarHBondContact O-N 3.22Å; A410-A414 WeakPolarHBondContact O-CB 3.42Å; A410-A414 PolarHBondContact O-N 2.82Å; A410-V467 HydrophobicContact CB-CG1 3.91Å; A410-L479 HydrophobicContact CB-CD2 4.28Å; A410-L479 HydrophobicContact CB-CG 4.49Å; A410-I483 HydrophobicContact CB-CD1 3.77Å; A410-I483 HydrophobicContact CB-CG1 3.95Å
411	G	95.9	Very high	96.8	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-71.5	-49.8	177.9	0	0	0	0	0	112.9	R408 V409 C415 L468	R408-G411 PolarHBondContact O-N 3.28Å; R408-G411 VanDerWaalsContact O-N 3.1Å; V409-G411 VanDerWaalsContact C-N 3.29Å; V409-G411 PolarHBondContact O-N 3.24Å; G411-C415 WeakPolarHBondContact O-CB 3.23Å; G411-C415 PolarHBondContact O-N 3.19Å; G411-C415 VanDerWaalsContact O-N 3.11Å; G411-L468 WeakPolarHBondContact CA-O 3.49Å
412	T	97.2	Very high	96.7	Very high	18 Å²	18	33.5 Å²	33.5	11%	0.11	19%	0.186	C	C	.	.	H	α-helix	trans	-66.6	-43.3	-175.9	54.9	0	0	0	0	112.4	R408 V409 A416 T417 I420	R408-T412 HydrophobicContact CG-CG2 4.38Å; R408-T412 PolarHBondContact O-N 3Å; R408-T412 PolarHBondContact O-OG1 2.85Å; V409-T412 WeakPolarHBondContact CA-OG1 3.37Å; V409-T412 PolarHBondContact O-N 3.41Å; V409-T412 PolarHBondContact O-OG1 3.29Å; T412-A416 WeakPolarHBondContact O-CA 3.45Å; T412-A416 PolarHBondContact O-N 3.19Å; T412-T417 VanDerWaalsContact CB-O 3.25Å; T412-T417 WeakPolarHBondContact CB-O 3.46Å; T412-T417 PolarHBondContact O-N 2.72Å; T412-I420 HydrophobicContact CG2-CD1 3.63Å; T412-I420 HydrophobicContact CG2-CG1 3.97Å
413	Q	95.4	Very high	96.5	Very high	65 Å²	65	37.1 Å²	37.1	30%	0.304	21%	0.211	S	C	.	.	H	α-helix	trans	-70.6	-43.1	-179.9	-176.9	168.3	-48.1	0	0	111.5	V409 C415 A416 L479	V409-Q413 HydrophobicContact CG2-CB 4.35Å; V409-Q413 WeakPolarHBondContact O-CB 3.17Å; V409-Q413 PolarHBondContact O-N 3.08Å; Q413-C415 VanDerWaalsContact C-N 3.29Å; Q413-C415 PolarHBondContact O-N 2.85Å; Q413-A416 PolarHBondContact O-N 2.82Å; Q413-A416 VanDerWaalsContact O-N 3.08Å; Q413-L479 HydrophobicContact CB-CD1 3.72Å; Q413-L479 HydrophobicContact CG-CD1 3.86Å
414	A	92.2	Very high	96.4	Very high	5 Å²	5	39.8 Å²	39.8	4%	0.041	22%	0.222	C	C	.	.	H	α-helix	trans	-60.8	-39.3	177	0	0	0	0	0	112.3	A410 A416 C470 P473 I474 T476 L479	A410-A414 WeakPolarHBondContact O-CB 3.42Å; A410-A414 PolarHBondContact O-N 2.82Å; A414-A416 VanDerWaalsContact C-N 3.34Å; A414-C470 HydrophobicContact CB-CB 3.69Å; A414-P473 HydrophobicContact CB-CB 4.35Å; A414-P473 CarbonylContact O-C 3.38Å; A414-P473 VanDerWaalsContact O-CA 3.28Å; A414-P473 WeakPolarHBondContact O-CA 3.37Å; A414-I474 PolarHBondContact O-N 2.83Å; A414-T476 HydrophobicContact CB-CG2 4.39Å; A414-L479 HydrophobicContact CB-CD2 4.23Å
415	C	94.1	Very high	96.3	Very high	1 Å²	1	40 Å²	40	1%	0.007	22%	0.223	C	C	.	.	H	α-helix	trans	-82.4	-7.7	176.7	-82.3	0	0	0	0	114.3	G411 Q413 T417 R424 C470	G411-C415 WeakPolarHBondContact O-CB 3.23Å; G411-C415 PolarHBondContact O-N 3.19Å; G411-C415 VanDerWaalsContact O-N 3.11Å; Q413-C415 VanDerWaalsContact C-N 3.29Å; Q413-C415 PolarHBondContact O-N 2.85Å; C415-T417 HydrophobicContact CB-CG2 4.25Å; C415-R424 PolarHBondContact O-NH1 3.45Å; C415-R424 PolarHBondContact O-NH2 2.96Å; C415-C470 WeakPolarHBondContact CA-SG 3.28Å; C415-C470 HydrophobicContact CB-CB 4.12Å; C415-C470 WeakPolarHBondContact CB-SG 3.48Å; C415-C470 PolarHBondContact N-SG 3.11Å; C415-C470 WeakPolarHBondContact SG-CB 3.38Å; C415-C470 CovalentContact SG-SG 2.04Å; C415-C470 PolarHBondContact SG-SG 3.44Å
416	A	94.2	Very high	96.3	Very high	68 Å²	68	41.4 Å²	41.4	56%	0.562	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	49.9	-171.4	0	0	0	0	0	113.4	T412 Q413 A414 I474	T412-A416 WeakPolarHBondContact O-CA 3.45Å; T412-A416 PolarHBondContact O-N 3.19Å; Q413-A416 PolarHBondContact O-N 2.82Å; Q413-A416 VanDerWaalsContact O-N 3.08Å; A414-A416 VanDerWaalsContact C-N 3.34Å; A416-I474 HydrophobicContact CB-CB 4.39Å; A416-I474 HydrophobicContact CB-CD1 3.79Å; A416-I474 HydrophobicContact CB-CG1 4.38Å
417	T	95.2	Very high	96.2	Very high	39 Å²	39	42.4 Å²	42.4	24%	0.239	24%	0.238	C	C	.	.			trans	-124.3	146.5	179.4	53	0	0	0	0	110.2	T412 C415 T419 D421	T412-T417 VanDerWaalsContact CB-O 3.25Å; T412-T417 WeakPolarHBondContact CB-O 3.46Å; T412-T417 PolarHBondContact O-N 2.72Å; C415-T417 HydrophobicContact CB-CG2 4.25Å; T417-T419 VanDerWaalsContact C-N 3.33Å; T417-T419 VanDerWaalsContact CB-O 3.25Å; T417-T419 WeakPolarHBondContact CB-O 3.08Å; T417-T419 PolarHBondContact O-N 3.42Å; T417-T419 PolarHBondContact OG1-O 2.94Å; T417-D421 HydrophobicContact CG2-CB 4.41Å
418	E	94.2	Very high	96.2	Very high	198 Å²	198	48.2 Å²	48.2	93%	0.925	26%	0.26	S	S	*	.	S	Bend	trans	-66.4	-35.9	177.6	-66.2	-178	172.8	0	0	112.8
419	T	96.5	Very high	96.1	Very high	105 Å²	105	46 Å²	46	64%	0.644	25%	0.253	S	S	*	.	S	Bend	trans	-126.6	170.8	177.4	58.6	0	0	0	0	110.2	T417 D421	T417-T419 VanDerWaalsContact C-N 3.33Å; T417-T419 VanDerWaalsContact CB-O 3.25Å; T417-T419 WeakPolarHBondContact CB-O 3.08Å; T417-T419 PolarHBondContact O-N 3.42Å; T417-T419 PolarHBondContact OG1-O 2.94Å; T419-D421 PolarHBondContact O-N 2.88Å
420	I	97.1	Very high	96	Very high	24 Å²	24	48 Å²	48	12%	0.123	27%	0.265	C	S	.	.			trans	-69.5	113.6	-179.5	-65.8	-68.6	0	0	0	110.3	A58 R408 T412 T422 V425 L468	A58-I420 HydrophobicContact CB-CB 4.23Å; A58-I420 HydrophobicContact CB-CG2 4.04Å; R408-I420 HydrophobicContact CG-CD1 4.22Å; R408-I420 HydrophobicContact CG-CG1 3.98Å; T412-I420 HydrophobicContact CG2-CD1 3.63Å; T412-I420 HydrophobicContact CG2-CG1 3.97Å; I420-T422 HydrophobicContact CG2-CG2 4.28Å; I420-T422 PolarHBondContact O-N 2.96Å; I420-V425 HydrophobicContact CG2-CG1 4.35Å; I420-V425 HydrophobicContact CG2-CG2 3.99Å; I420-L468 HydrophobicContact CG2-CD1 3.8Å
421	D	96.1	Very high	95.9	Very high	54 Å²	54	53.3 Å²	53.3	29%	0.289	29%	0.29	S	S	.	.			trans	-78.5	97.3	163.9	-177.1	-10.4	0	0	0	109.8	T417 T419 S423 R424 V425	T417-D421 HydrophobicContact CG2-CB 4.41Å; T419-D421 PolarHBondContact O-N 2.88Å; D421-S423 PolarHBondContact O-N 3.42Å; D421-S423 WeakPolarHBondContact OD1-CB 3.48Å; D421-S423 PolarHBondContact OD1-N 3.34Å; D421-S423 PolarHBondContact OD1-OG 3.06Å; D421-S423 PolarHBondContact OD2-OG 2.86Å; D421-R424 HydrophobicContact CB-CB 4.25Å; D421-R424 HydrophobicContact CB-CG 4.45Å; D421-R424 PolarHBondContact O-N 3.44Å; D421-R424 VanDerWaalsContact OD2-CD 3.22Å; D421-R424 WeakPolarHBondContact OD2-CD 3.47Å; D421-R424 WeakPolarHBondContact OD2-CG 3.37Å; D421-V425 PolarHBondContact O-N 3.18Å
422	T	96	Very high	96	Very high	63 Å²	63	58 Å²	58	39%	0.387	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-20.9	-179.4	61.9	0	0	0	0	113.9	A58 I420	A58-T422 HydrophobicContact CB-CG2 4.43Å; I420-T422 HydrophobicContact CG2-CG2 4.28Å; I420-T422 PolarHBondContact O-N 2.96Å
423	S	95.5	Very high	96	Very high	76 Å²	76	57.7 Å²	57.7	53%	0.531	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-21.1	177.2	78.4	0	0	0	0	113	D421 K471	D421-S423 PolarHBondContact O-N 3.42Å; D421-S423 WeakPolarHBondContact OD1-CB 3.48Å; D421-S423 PolarHBondContact OD1-N 3.34Å; D421-S423 PolarHBondContact OD1-OG 3.06Å; D421-S423 PolarHBondContact OD2-OG 2.86Å; S423-K471 WeakPolarHBondContact O-CE 3.31Å; S423-K471 PolarHBondContact O-NZ 2.84Å
424	R	95.8	Very high	96.1	Very high	57 Å²	57	58.3 Å²	58.3	22%	0.215	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-5.5	-176.6	-69.7	-176.4	66.3	-154.6	-3.9	114	C415 D421 K471 D472	C415-R424 PolarHBondContact O-NH1 3.45Å; C415-R424 PolarHBondContact O-NH2 2.96Å; D421-R424 HydrophobicContact CB-CB 4.25Å; D421-R424 HydrophobicContact CB-CG 4.45Å; D421-R424 PolarHBondContact O-N 3.44Å; D421-R424 VanDerWaalsContact OD2-CD 3.22Å; D421-R424 WeakPolarHBondContact OD2-CD 3.47Å; D421-R424 WeakPolarHBondContact OD2-CG 3.37Å; R424-K471 VanDerWaalsContact C-CE 3.4Å; R424-K471 WeakPolarHBondContact O-CB 3.27Å; R424-K471 WeakPolarHBondContact O-CE 3.25Å; R424-K471 WeakPolarHBondContact O-CG 3.13Å; R424-K471 PolarHBondContact O-N 3.23Å; R424-D472 PolarHBondContact NH2-O 2.85Å
425	V	97.4	Very high	96.4	Very high	5 Å²	5	58.6 Å²	58.6	3%	0.03	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	167.2	178.4	-61.5	0	0	0	0	112.7	E54 I420 D421 L468 V469	E54-V425 HydrophobicContact CB-CG2 4.08Å; E54-V425 HydrophobicContact CG-CG2 4.17Å; I420-V425 HydrophobicContact CG2-CG1 4.35Å; I420-V425 HydrophobicContact CG2-CG2 3.99Å; D421-V425 PolarHBondContact O-N 3.18Å; V425-L468 HydrophobicContact CB-CB 3.91Å; V425-L468 HydrophobicContact CG1-CB 4.2Å; V425-L468 HydrophobicContact CG2-CB 3.99Å; V425-L468 HydrophobicContact CG2-CD1 4.32Å; V425-V469 CarbonylContact C-O 3.55Å; V425-V469 VanDerWaalsContact CA-O 3.24Å; V425-V469 WeakPolarHBondContact CA-O 3.46Å
426	S	97.9	Very high	96.5	Very high	29 Å²	29	58.8 Å²	58.8	20%	0.203	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	132.8	178.1	173.6	0	0	0	0	110.5	R428 V469	S426-R428 PolarHBondContact O-N 2.73Å; S426-V469 PolarHBondContact N-O 3.21Å; S426-V469 PolarHBondContact O-N 3.3Å
427	L	97.9	Very high	96.4	Very high	21 Å²	21	61.6 Å²	61.6	11%	0.11	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	112.9	172.2	-179.3	62	0	0	0	110.1	P53 E54 L57 A429 P466 L468	P53-L427 HydrophobicContact CB-CD2 4.32Å; E54-L427 HydrophobicContact CG-CB 4.25Å; E54-L427 PolarHBondContact OE1-N 2.84Å; L57-L427 HydrophobicContact CD1-CD1 4.06Å; L57-L427 HydrophobicContact CD1-CD2 4.47Å; L427-A429 HydrophobicContact CD1-CB 4.49Å; L427-P466 HydrophobicContact CD1-CB 3.51Å; L427-P466 HydrophobicContact CD1-CG 3.71Å; L427-L468 HydrophobicContact CB-CD2 4.45Å
428	R	97.1	Very high	95.9	Very high	122 Å²	122	63.3 Å²	63.3	46%	0.46	33%	0.33	S	S	.	.			trans	-119.2	0.5	-173.9	-62.5	-175.1	-177.5	-179.1	3.5	115.1	V385 S426 V469	V385-R428 HydrophobicContact CB-CB 4.12Å; V385-R428 HydrophobicContact CG1-CB 3.7Å; S426-R428 PolarHBondContact O-N 2.73Å; R428-V469 HydrophobicContact CB-CG2 4.39Å; R428-V469 HydrophobicContact CG-CG2 4.48Å
429	A	97	Very high	95.5	Very high	6 Å²	6	58.6 Å²	58.6	5%	0.05	31%	0.308	C	S	.	.	S	Bend	trans	-65.3	153.5	173.5	0	0	0	0	0	111.5	L427 Q431 L446 P466	L427-A429 HydrophobicContact CD1-CB 4.49Å; A429-Q431 PolarHBondContact O-N 3.43Å; A429-L446 HydrophobicContact CB-CD1 3.82Å; A429-P466 HydrophobicContact CB-CB 3.42Å; A429-P466 VanDerWaalsContact CB-CB 3.42Å
430	P	96.5	Very high	94.9	Very high	45 Å²	45	58.9 Å²	58.9	29%	0.292	32%	0.321	S	S	.	.			trans	-60.8	132.6	175.2	27	-35.4	0	0	0	110.6	V352 E432 F433 L446	V352-P430 HydrophobicContact CG2-CG 4.33Å; P430-E432 PolarHBondContact O-N 3Å; P430-F433 HydrophobicContact CG-CB 4.35Å; P430-L446 WeakPolarHBondContact O-CD1 3.22Å; P430-L446 WeakPolarHBondContact O-CG 3.34Å
431	Q	95.1	Very high	94.4	Very high	117 Å²	117	58.6 Å²	58.6	55%	0.547	32%	0.324	S	S	.	.	S	Bend	trans	-61.4	-27.7	-179.9	-68.2	-63.5	-39.1	0	0	112.5	A429 V445 L446	A429-Q431 PolarHBondContact O-N 3.43Å; Q431-V445 WeakPolarHBondContact O-CA 3.31Å; Q431-L446 PolarHBondContact O-N 3.13Å
432	E	97.3	Very high	94.3	Very high	99 Å²	99	59.5 Å²	59.5	46%	0.463	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	147.6	174	61.3	-177.5	-159.6	0	0	111.1	P430 R443 I444 V445	P430-E432 PolarHBondContact O-N 3Å; E432-R443 IonicContact OE1-CZ 3.66Å; E432-R443 IonicContact OE1-NH2 3.29Å; E432-R443 PolarHBondContact OE1-NH2 2.61Å; E432-R443 VanDerWaalsContact OE1-NH2 3.1Å; E432-R443 IonicContact OE2-CZ 3.93Å; E432-R443 VanDerWaalsContact OE2-CZ 3.3Å; E432-R443 IonicContact OE2-NE 3.74Å; E432-R443 PolarHBondContact OE2-NE 3.21Å; E432-R443 IonicContact OE2-NH2 3.11Å; E432-R443 PolarHBondContact OE2-NH2 2.74Å; E432-I444 CarbonylContact C-O 3.59Å; E432-I444 WeakPolarHBondContact CA-O 3.35Å; E432-I444 WeakPolarHBondContact CB-O 3.33Å; E432-V445 HydrophobicContact CB-CG2 4.31Å
433	F	97.6	Very high	94.3	Very high	12 Å²	12	64.3 Å²	64.3	5%	0.053	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	163.5	179.4	61.9	-92.6	0	0	0	111.4	V352 P430 I444 L446 W455 F464	V352-F433 HydrophobicContact CB-CB 4.03Å; V352-F433 HydrophobicContact CB-CD2 3.66Å; V352-F433 HydrophobicContact CB-CE2 4.3Å; V352-F433 HydrophobicContact CB-CG 3.94Å; V352-F433 HydrophobicContact CG1-CD2 3.41Å; V352-F433 VanDerWaalsContact CG1-CD2 3.41Å; V352-F433 HydrophobicContact CG1-CE2 3.57Å; V352-F433 HydrophobicContact CG1-CG 4.13Å; V352-F433 HydrophobicContact CG1-CZ 4.39Å; V352-F433 HydrophobicContact CG2-CB 4.05Å; V352-F433 HydrophobicContact CG2-CD1 4.38Å; V352-F433 HydrophobicContact CG2-CD2 4.08Å; V352-F433 HydrophobicContact CG2-CG 3.93Å; P430-F433 HydrophobicContact CG-CB 4.35Å; F433-I444 HydrophobicContact CD1-CB 4.37Å; F433-I444 HydrophobicContact CD2-CB 4.21Å; F433-I444 HydrophobicContact CD2-CG1 4.44Å; F433-I444 HydrophobicContact CE1-CB 3.96Å; F433-I444 HydrophobicContact CE1-CG2 3.74Å; F433-I444 HydrophobicContact CE2-CB 3.79Å; F433-I444 HydrophobicContact CE2-CG1 3.84Å; F433-I444 HydrophobicContact CE2-CG2 4.19Å; F433-I444 HydrophobicContact CG-CB 4.49Å; F433-I444 HydrophobicContact CZ-CB 3.67Å; F433-I444 HydrophobicContact CZ-CG1 4.07Å; F433-I444 HydrophobicContact CZ-CG2 3.55Å; F433-I444 PolarHBondContact N-O 3.38Å; F433-I444 PolarHBondContact O-N 2.92Å; F433-L446 HydrophobicContact CE1-CD2 3.84Å; F433-W455 HydrophobicContact CE2-CZ3 4.46Å; F433-F464 HydrophobicContact CD1-CZ 4.47Å; F433-F464 HydrophobicContact CE1-CD1 4.11Å; F433-F464 AromaticContact CE1-CE1 3.78Å; F433-F464 HydrophobicContact CE1-CE1 3.78Å; F433-F464 HydrophobicContact CE1-CE2 4.29Å; F433-F464 AromaticContact CE1-CZ 3.87Å; F433-F464 HydrophobicContact CE1-CZ 3.87Å; F433-F464 AromaticContact CZ-CD1 3.87Å; F433-F464 HydrophobicContact CZ-CD1 3.87Å; F433-F464 HydrophobicContact CZ-CD2 4.18Å; F433-F464 HydrophobicContact CZ-CE1 4.01Å; F433-F464 HydrophobicContact CZ-CE2 4.26Å; F433-F464 AromaticContact CZ-CG 3.98Å; F433-F464 HydrophobicContact CZ-CG 3.98Å; F433-F464 HydrophobicContact CZ-CZ 4.2Å
434	M	98	Very high	94.4	Very high	78 Å²	78	62.2 Å²	62.2	38%	0.384	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	142.3	172	-63.8	-63	-67.2	0	0	110	G353 S436 G441 S442 R443	G353-M434 VanDerWaalsContact CA-O 3.23Å; G353-M434 WeakPolarHBondContact CA-O 3.38Å; G353-M434 PolarHBondContact N-O 3.38Å; G353-M434 VanDerWaalsContact N-O 3.16Å; M434-S436 VanDerWaalsContact C-N 3.25Å; M434-S436 PolarHBondContact O-N 3.37Å; M434-G441 WeakPolarHBondContact CE-O 3.41Å; M434-S442 WeakPolarHBondContact CA-O 3.32Å; M434-R443 HydrophobicContact SD-CB 3.72Å; M434-R443 HydrophobicContact SD-CG 4.27Å
435	T	97.6	Very high	94.5	Very high	11 Å²	11	64 Å²	64	7%	0.067	35%	0.345	C	S	.	.	S	Bend	trans	-76.2	-9.2	179	62.1	0	0	0	0	114.4	S356 G441 S442 I444 W455	S356-T435 VanDerWaalsContact CB-O 3.31Å; S356-T435 WeakPolarHBondContact CB-O 3.05Å; T435-G441 WeakPolarHBondContact OG1-CA 3.21Å; T435-S442 PolarHBondContact N-O 3.45Å; T435-S442 PolarHBondContact OG1-N 2.64Å; T435-I444 HydrophobicContact CG2-CD1 4.25Å; T435-I444 HydrophobicContact CG2-CG1 3.72Å; T435-W455 HydrophobicContact CG2-CB 4.4Å; T435-W455 HydrophobicContact CG2-CD2 3.7Å; T435-W455 HydrophobicContact CG2-CE3 4.06Å; T435-W455 HydrophobicContact CG2-CG 3.85Å
436	S	96.9	Very high	94.5	Very high	6 Å²	6	64.6 Å²	64.6	4%	0.042	35%	0.348	C	S	.	.			trans	-157.4	145	174.3	173.1	0	0	0	0	108.4	D357 M434 S438 E439	D357-S436 WeakPolarHBondContact OD1-CB 3.45Å; D357-S436 PolarHBondContact OD1-OG 3.31Å; D357-S436 PolarHBondContact OD2-OG 3.32Å; M434-S436 VanDerWaalsContact C-N 3.25Å; M434-S436 PolarHBondContact O-N 3.37Å; S436-S438 PolarHBondContact OG-N 2.9Å; S436-E439 PolarHBondContact OG-N 3.16Å
437	H	91.2	Very high	94.4	Very high	126 Å²	126	66.9 Å²	66.9	58%	0.583	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-29	173.4	-167.7	-70.1	0	0	0	111.4	M354 D357	M354-H437 HydrophobicContact CG-CB 3.89Å; D357-H437 PolarHBondContact OD2-N 3.49Å
438	S	84.8	Confident	94.4	Very high	76 Å²	76	66.6 Å²	66.6	53%	0.531	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-25.4	178.9	-65.1	0	0	0	0	114	D357 S436	D357-S438 WeakPolarHBondContact OD2-CB 3.33Å; D357-S438 PolarHBondContact OD2-N 3.28Å; D357-S438 PolarHBondContact OD2-OG 2.92Å; S436-S438 PolarHBondContact OG-N 2.9Å
439	E	86.8	Confident	94.4	Very high	98 Å²	98	65.3 Å²	65.3	46%	0.458	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	174.7	179.5	-73	176.3	-163.4	0	0	111.8	S436 G441 R457	S436-E439 PolarHBondContact OG-N 3.16Å; E439-G441 PolarHBondContact O-N 3.18Å; E439-R457 IonicContact OE1-CZ 3.57Å; E439-R457 IonicContact OE1-NE 3.14Å; E439-R457 IonicContact OE1-NH2 3.8Å; E439-R457 PolarHBondContact OE1-NH2 3Å; E439-R457 IonicContact OE2-CZ 2.68Å; E439-R457 VanDerWaalsContact OE2-CZ 3.27Å; E439-R457 IonicContact OE2-NE 2.78Å; E439-R457 PolarHBondContact OE2-NE 3.14Å; E439-R457 IonicContact OE2-NH2 2.72Å; E439-R457 PolarHBondContact OE2-NH2 2.95Å
440	A	84.2	Confident	94.4	Very high	112 Å²	112	72.4 Å²	72.4	93%	0.926	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	78.7	172.5	0	0	0	0	0	110.7
441	G	86.4	Confident	94.5	Very high	17 Å²	17	70.5 Å²	70.5	18%	0.175	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-70.3	163.6	174.8	0	0	0	0	0	113	M434 T435 E439	M434-G441 WeakPolarHBondContact CE-O 3.41Å; T435-G441 WeakPolarHBondContact OG1-CA 3.21Å; E439-G441 PolarHBondContact O-N 3.18Å
442	S	93.3	Very high	94.6	Very high	73 Å²	73	65.4 Å²	65.4	51%	0.51	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-82.9	142.8	171	-66.2	0	0	0	0	110.3	M434 T435	M434-S442 WeakPolarHBondContact CA-O 3.32Å; T435-S442 PolarHBondContact N-O 3.45Å; T435-S442 PolarHBondContact OG1-N 2.64Å
443	R	96.9	Very high	94.7	Very high	165 Å²	165	61.8 Å²	61.8	62%	0.623	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	123.1	168.3	-176.7	176.5	176.5	169.5	-1.5	109.3	E432 M434	E432-R443 IonicContact OE1-CZ 3.66Å; E432-R443 IonicContact OE1-NH2 3.29Å; E432-R443 PolarHBondContact OE1-NH2 2.61Å; E432-R443 VanDerWaalsContact OE1-NH2 3.1Å; E432-R443 IonicContact OE2-CZ 3.93Å; E432-R443 VanDerWaalsContact OE2-CZ 3.3Å; E432-R443 IonicContact OE2-NE 3.74Å; E432-R443 PolarHBondContact OE2-NE 3.21Å; E432-R443 IonicContact OE2-NH2 3.11Å; E432-R443 PolarHBondContact OE2-NH2 2.74Å; M434-R443 HydrophobicContact SD-CB 3.72Å; M434-R443 HydrophobicContact SD-CG 4.27Å
444	I	97.5	Very high	94.7	Very high	31 Å²	31	65.7 Å²	65.7	16%	0.159	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140.7	177.3	-56.5	-57.5	0	0	0	109	E432 F433 T435 V453	E432-I444 CarbonylContact C-O 3.59Å; E432-I444 WeakPolarHBondContact CA-O 3.35Å; E432-I444 WeakPolarHBondContact CB-O 3.33Å; F433-I444 HydrophobicContact CD1-CB 4.37Å; F433-I444 HydrophobicContact CD2-CB 4.21Å; F433-I444 HydrophobicContact CD2-CG1 4.44Å; F433-I444 HydrophobicContact CE1-CB 3.96Å; F433-I444 HydrophobicContact CE1-CG2 3.74Å; F433-I444 HydrophobicContact CE2-CB 3.79Å; F433-I444 HydrophobicContact CE2-CG1 3.84Å; F433-I444 HydrophobicContact CE2-CG2 4.19Å; F433-I444 HydrophobicContact CG-CB 4.49Å; F433-I444 HydrophobicContact CZ-CB 3.67Å; F433-I444 HydrophobicContact CZ-CG1 4.07Å; F433-I444 HydrophobicContact CZ-CG2 3.55Å; F433-I444 PolarHBondContact N-O 3.38Å; F433-I444 PolarHBondContact O-N 2.92Å; T435-I444 HydrophobicContact CG2-CD1 4.25Å; T435-I444 HydrophobicContact CG2-CG1 3.72Å; I444-V453 HydrophobicContact CD1-CG1 4.17Å; I444-V453 HydrophobicContact CG1-CG1 4.3Å; I444-V453 HydrophobicContact CG2-CB 4.5Å; I444-V453 HydrophobicContact CG2-CG1 3.89Å; I444-V453 HydrophobicContact CG2-CG2 4.01Å
445	V	97.9	Very high	94.7	Very high	96 Å²	96	63.1 Å²	63.1	58%	0.582	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118	129	170.8	-179.2	0	0	0	0	108.2	Q431 E432 N447	Q431-V445 WeakPolarHBondContact O-CA 3.31Å; E432-V445 HydrophobicContact CB-CG2 4.31Å; V445-N447 PolarHBondContact O-N 2.9Å
446	L	96.2	Very high	94.8	Very high	16 Å²	16	68 Å²	68	8%	0.084	37%	0.365	C	S	.	.			trans	-65.2	129.1	-177.8	-69.1	-174.2	0	0	0	111.7	A429 P430 Q431 F433 F464	A429-L446 HydrophobicContact CB-CD1 3.82Å; P430-L446 WeakPolarHBondContact O-CD1 3.22Å; P430-L446 WeakPolarHBondContact O-CG 3.34Å; Q431-L446 PolarHBondContact O-N 3.13Å; F433-L446 HydrophobicContact CE1-CD2 3.84Å; L446-F464 HydrophobicContact CD2-CD1 4.49Å; L446-F464 HydrophobicContact CD2-CE1 3.68Å; L446-F464 HydrophobicContact CD2-CZ 4.43Å
447	N	97.1	Very high	94.8	Very high	77 Å²	77	69.1 Å²	69.1	41%	0.412	37%	0.368	S	S	.	.			trans	-117.6	109.5	171.6	-179.9	-2.3	0	0	0	109.4	V445 N449 K450	V445-N447 PolarHBondContact O-N 2.9Å; N447-N449 PolarHBondContact O-N 3.42Å; N447-N449 PolarHBondContact OD1-N 3.48Å; N447-K450 CarbonylContact O-C 3.54Å; N447-K450 PolarHBondContact O-N 3.48Å; N447-K450 VanDerWaalsContact O-O 3.12Å
448	P	97.1	Very high	95	Very high	15 Å²	15	69 Å²	69	10%	0.097	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.3	179.2	-28.2	35.8	0	0	0	114.9	P53 R56 L57 K450	P53-P448 HydrophobicContact CB-CG 4.03Å; P53-P448 WeakPolarHBondContact O-CB 3.42Å; R56-P448 CarbonylContact C-O 3.5Å; R56-P448 HydrophobicContact CB-CB 4.05Å; L57-P448 VanDerWaalsContact CA-O 3.23Å; L57-P448 WeakPolarHBondContact CA-O 3.33Å; L57-P448 HydrophobicContact CB-CB 4.34Å; L57-P448 PolarHBondContact N-O 2.97Å; P448-K450 VanDerWaalsContact C-N 3.33Å
449	N	97.3	Very high	95.5	Very high	96 Å²	96	67.1 Å²	67.1	51%	0.513	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-11.7	176.6	-61.3	-57.1	0	0	0	113.3	R56 N447	R56-N449 WeakPolarHBondContact CD-OD1 3.43Å; R56-N449 PolarHBondContact NH1-ND2 2.96Å; N447-N449 PolarHBondContact O-N 3.42Å; N447-N449 PolarHBondContact OD1-N 3.48Å
450	K	97.4	Very high	96	Very high	154 Å²	154	62.7 Å²	62.7	67%	0.67	34%	0.34	S	S	*	.	S	Bend	trans	-139.9	69.2	174.9	-169.5	-176.8	178.4	-176.5	0	108.4	N447 P448 V452	N447-K450 CarbonylContact O-C 3.54Å; N447-K450 PolarHBondContact O-N 3.48Å; N447-K450 VanDerWaalsContact O-O 3.12Å; P448-K450 VanDerWaalsContact C-N 3.33Å; K450-V452 PolarHBondContact O-N 2.93Å
451	P	97.4	Very high	96.7	Very high	6 Å²	6	57.9 Å²	57.9	4%	0.039	30%	0.299	C	S	.	.			trans	-78.4	-19.8	-164.6	31.2	-36.8	0	0	0	114.3	L57 A60 P466	L57-P451 HydrophobicContact CD1-CB 3.72Å; L57-P451 HydrophobicContact CD2-CB 4.19Å; L57-P451 HydrophobicContact CD2-CG 4.45Å; L57-P451 HydrophobicContact CG-CB 3.56Å; L57-P451 HydrophobicContact CG-CG 4.01Å; A60-P451 HydrophobicContact CB-CG 3.92Å; P451-P466 WeakPolarHBondContact O-CD 3.31Å
452	V	98.5	Very high	97.3	Very high	9 Å²	9	57.1 Å²	57.1	6%	0.055	29%	0.291	C	S	.	.			trans	-90.3	119.7	174.1	-167.4	0	0	0	0	109.4	L64 L400 V403 A404 K450 F464	L64-V452 HydrophobicContact CD2-CB 3.94Å; L64-V452 HydrophobicContact CD2-CG2 3.29Å; L400-V452 HydrophobicContact CB-CG1 4.34Å; L400-V452 HydrophobicContact CD2-CB 4.27Å; L400-V452 HydrophobicContact CD2-CG1 3.44Å; L400-V452 VanDerWaalsContact CD2-CG1 3.44Å; V403-V452 HydrophobicContact CG1-CG1 3.8Å; A404-V452 HydrophobicContact CB-CG2 3.91Å; K450-V452 PolarHBondContact O-N 2.93Å; V452-F464 CarbonylContact C-O 3.53Å; V452-F464 VanDerWaalsContact CA-O 3.26Å; V452-F464 WeakPolarHBondContact CA-O 3.15Å
453	V	98.4	Very high	97.6	Very high	24 Å²	24	54.1 Å²	54.1	15%	0.145	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135.3	-179.9	-177.8	0	0	0	0	108.8	I444 W455 H463 F464	I444-V453 HydrophobicContact CD1-CG1 4.17Å; I444-V453 HydrophobicContact CG1-CG1 4.3Å; I444-V453 HydrophobicContact CG2-CB 4.5Å; I444-V453 HydrophobicContact CG2-CG1 3.89Å; I444-V453 HydrophobicContact CG2-CG2 4.01Å; V453-W455 HydrophobicContact CG1-CE3 4.34Å; V453-H463 CarbonylContact O-C 3.26Å; V453-H463 WeakPolarHBondContact O-CA 3.48Å; V453-F464 HydrophobicContact CB-CB 4.46Å; V453-F464 PolarHBondContact N-O 2.91Å; V453-F464 PolarHBondContact O-N 2.97Å
454	E	98.4	Very high	97.7	Very high	94 Å²	94	46.3 Å²	46.3	44%	0.439	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	137.8	177.4	-175.5	179.1	-162.7	0	0	110	L400 H456 F462 H463	L400-E454 HydrophobicContact CD2-CB 4.35Å; E454-H456 IonicContact OE1-CE1 3.92Å; E454-H456 PolarHBondContact OE1-CE1 3.16Å; E454-H456 VanDerWaalsContact OE1-CE1 3.29Å; E454-H456 IonicContact OE1-NE2 3.83Å; E454-F462 VanDerWaalsContact CA-O 3.31Å; E454-F462 WeakPolarHBondContact CA-O 3.41Å; E454-H463 IonicContact OE1-NE2 4Å
455	W	98.3	Very high	97.7	Very high	23 Å²	23	44.8 Å²	44.8	9%	0.087	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	161.6	164.8	70.8	92.5	0	0	0	110.8	V352 S356 I388 F433 T435 V453 F462 F464	V352-W455 HydrophobicContact CG1-CH2 4.43Å; S356-W455 WeakPolarHBondContact OG-CZ2 3.41Å; I388-W455 HydrophobicContact CD1-CH2 4.4Å; F433-W455 HydrophobicContact CE2-CZ3 4.46Å; T435-W455 HydrophobicContact CG2-CB 4.4Å; T435-W455 HydrophobicContact CG2-CD2 3.7Å; T435-W455 HydrophobicContact CG2-CE3 4.06Å; T435-W455 HydrophobicContact CG2-CG 3.85Å; V453-W455 HydrophobicContact CG1-CE3 4.34Å; W455-F462 AromaticContact CD1-CD2 3.88Å; W455-F462 HydrophobicContact CD2-CB 3.62Å; W455-F462 HydrophobicContact CD2-CG 4.35Å; W455-F462 AromaticContact CE2-CD2 3.98Å; W455-F462 AromaticContact CE2-CG 3.52Å; W455-F462 HydrophobicContact CE3-CB 4.06Å; W455-F462 HydrophobicContact CG-CB 4.21Å; W455-F462 HydrophobicContact CH2-CB 3.77Å; W455-F462 HydrophobicContact CH2-CG 4.49Å; W455-F462 HydrophobicContact CZ2-CB 3.27Å; W455-F462 AromaticContact CZ2-CD1 3.78Å; W455-F462 HydrophobicContact CZ2-CD1 3.78Å; W455-F462 HydrophobicContact CZ2-CD2 4.45Å; W455-F462 AromaticContact CZ2-CG 3.6Å; W455-F462 HydrophobicContact CZ2-CG 3.6Å; W455-F462 HydrophobicContact CZ3-CB 4.14Å; W455-F462 PolarHBondContact N-O 3.46Å; W455-F462 VanDerWaalsContact N-O 3.08Å; W455-F462 AromaticContact NE1-CD2 3.38Å; W455-F462 AromaticContact NE1-CG 3.42Å; W455-F462 PolarHBondContact O-N 2.93Å; W455-F464 HydrophobicContact CH2-CB 3.83Å; W455-F464 HydrophobicContact CZ3-CB 3.46Å; W455-F464 VanDerWaalsContact CZ3-CB 3.46Å; W455-F464 HydrophobicContact CZ3-CG 4.42Å
456	H	97.8	Very high	97.8	Very high	114 Å²	114	40.3 Å²	40.3	53%	0.528	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	145.2	-178	-52.6	-87.1	0	0	0	110.8	E454 I460 S461	E454-H456 IonicContact OE1-CE1 3.92Å; E454-H456 PolarHBondContact OE1-CE1 3.16Å; E454-H456 VanDerWaalsContact OE1-CE1 3.29Å; E454-H456 IonicContact OE1-NE2 3.83Å; H456-I460 CarbonylContact C-O 3.58Å; H456-I460 WeakPolarHBondContact CA-O 3.38Å; H456-S461 PolarHBondContact CE1-OG 3.28Å; H456-S461 VanDerWaalsContact CE1-OG 3.23Å; H456-S461 PolarHBondContact ND1-OG 2.88Å
457	R	97	Very high	97.9	Very high	30 Å²	30	39.8 Å²	39.8	11%	0.113	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	109.6	173.4	-173.4	179.3	177.3	-174.1	-6.2	109.2	D357 F360 E439 G459 I460 F462	D357-R457 IonicContact OD1-CZ 2.95Å; D357-R457 IonicContact OD1-NH1 3.88Å; D357-R457 PolarHBondContact OD1-NH1 3.32Å; D357-R457 IonicContact OD1-NH2 2.71Å; F360-R457 VanDerWaalsContact CD1-CZ 3.42Å; F360-R457 HydrophobicContact CD2-CB 4.29Å; F360-R457 HydrophobicContact CD2-CG 3.95Å; F360-R457 HydrophobicContact CE2-CB 4.21Å; F360-R457 HydrophobicContact CE2-CG 3.64Å; F360-R457 HydrophobicContact CZ-CG 4.04Å; E439-R457 IonicContact OE1-CZ 3.57Å; E439-R457 IonicContact OE1-NE 3.14Å; E439-R457 IonicContact OE1-NH2 3.8Å; E439-R457 PolarHBondContact OE1-NH2 3Å; E439-R457 IonicContact OE2-CZ 2.68Å; E439-R457 VanDerWaalsContact OE2-CZ 3.27Å; E439-R457 IonicContact OE2-NE 2.78Å; E439-R457 PolarHBondContact OE2-NE 3.14Å; E439-R457 IonicContact OE2-NH2 2.72Å; E439-R457 PolarHBondContact OE2-NH2 2.95Å; R457-G459 PolarHBondContact O-N 2.66Å; R457-I460 PolarHBondContact N-O 3.06Å; R457-I460 WeakPolarHBondContact O-CB 3.26Å; R457-I460 PolarHBondContact O-N 3.05Å; R457-F462 HydrophobicContact CB-CE2 4.14Å
458	E	95.6	Very high	98	Very high	122 Å²	122	36.1 Å²	36.1	57%	0.57	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	49.6	173.2	-59.8	178.5	-135.7	0	0	115.9	F360 K364 I460	F360-E458 HydrophobicContact CE2-CB 4.13Å; F360-E458 HydrophobicContact CZ-CB 4.24Å; F360-E458 HydrophobicContact CZ-CG 4.36Å; K364-E458 IonicContact NZ-OE2 3.07Å; K364-E458 PolarHBondContact NZ-OE2 3.11Å; E458-I460 VanDerWaalsContact C-N 3.31Å
459	G	95.9	Very high	98	Very high	37 Å²	37	35.9 Å²	35.9	38%	0.381	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	14.5	179.6	0	0	0	0	0	114.1	D393 R457	D393-G459 WeakPolarHBondContact CB-O 3.49Å; D393-G459 PolarHBondContact N-O 3.06Å; D393-G459 VanDerWaalsContact OD2-C 3.27Å; D393-G459 VanDerWaalsContact OD2-CA 3.25Å; D393-G459 WeakPolarHBondContact OD2-CA 3.44Å; R457-G459 PolarHBondContact O-N 2.66Å
460	I	98.4	Very high	97.8	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.026	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.3	169.9	-63.4	164.5	0	0	0	108.2	F360 L363 K364 T391 V392 H456 R457 E458 F462	F360-I460 HydrophobicContact CD2-CD1 3.64Å; F360-I460 HydrophobicContact CE2-CD1 3.84Å; L363-I460 HydrophobicContact CB-CD1 3.61Å; L363-I460 HydrophobicContact CB-CG1 4.41Å; L363-I460 HydrophobicContact CD1-CD1 4.24Å; L363-I460 HydrophobicContact CD1-CG1 4.35Å; L363-I460 HydrophobicContact CD1-CG2 3.68Å; K364-I460 HydrophobicContact CD-CD1 3.98Å; K364-I460 HydrophobicContact CG-CD1 4.01Å; T391-I460 CarbonylContact O-C 3.56Å; T391-I460 WeakPolarHBondContact O-CA 3.31Å; V392-I460 HydrophobicContact CG2-CG1 4.41Å; H456-I460 CarbonylContact C-O 3.58Å; H456-I460 WeakPolarHBondContact CA-O 3.38Å; R457-I460 PolarHBondContact N-O 3.06Å; R457-I460 WeakPolarHBondContact O-CB 3.26Å; R457-I460 PolarHBondContact O-N 3.05Å; E458-I460 VanDerWaalsContact C-N 3.31Å; I460-F462 HydrophobicContact CB-CE2 4.14Å; I460-F462 HydrophobicContact CG2-CD2 4.13Å; I460-F462 HydrophobicContact CG2-CE2 3.48Å; I460-F462 VanDerWaalsContact CG2-CE2 3.48Å; I460-F462 HydrophobicContact CG2-CZ 3.75Å
461	S	98.6	Very high	97.5	Very high	11 Å²	11	29.1 Å²	29.1	8%	0.077	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.9	175.2	-61.5	0	0	0	0	110.8	A390 T391 D393 H456	A390-S461 CarbonylContact C-O 3.59Å; A390-S461 WeakPolarHBondContact CA-O 3.13Å; T391-S461 PolarHBondContact N-O 3.44Å; T391-S461 PolarHBondContact O-N 3.5Å; D393-S461 WeakPolarHBondContact OD1-CB 3.31Å; D393-S461 PolarHBondContact OD1-N 3.36Å; D393-S461 PolarHBondContact OD1-OG 3.26Å; H456-S461 PolarHBondContact CE1-OG 3.28Å; H456-S461 VanDerWaalsContact CE1-OG 3.23Å; H456-S461 PolarHBondContact ND1-OG 2.88Å
462	F	98.9	Very high	97.2	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.7	178	-66.3	-100.9	0	0	0	109.4	L359 F360 I388 A390 E454 W455 R457 I460	L359-F462 HydrophobicContact CB-CE1 4.03Å; F360-F462 HydrophobicContact CB-CZ 3.89Å; F360-F462 HydrophobicContact CD2-CZ 4.38Å; I388-F462 HydrophobicContact CG2-CD1 3.97Å; A390-F462 HydrophobicContact CB-CD1 3.82Å; A390-F462 HydrophobicContact CB-CE1 3.79Å; A390-F462 HydrophobicContact CB-CZ 4.49Å; E454-F462 VanDerWaalsContact CA-O 3.31Å; E454-F462 WeakPolarHBondContact CA-O 3.41Å; W455-F462 AromaticContact CD1-CD2 3.88Å; W455-F462 HydrophobicContact CD2-CB 3.62Å; W455-F462 HydrophobicContact CD2-CG 4.35Å; W455-F462 AromaticContact CE2-CD2 3.98Å; W455-F462 AromaticContact CE2-CG 3.52Å; W455-F462 HydrophobicContact CE3-CB 4.06Å; W455-F462 HydrophobicContact CG-CB 4.21Å; W455-F462 HydrophobicContact CH2-CB 3.77Å; W455-F462 HydrophobicContact CH2-CG 4.49Å; W455-F462 HydrophobicContact CZ2-CB 3.27Å; W455-F462 AromaticContact CZ2-CD1 3.78Å; W455-F462 HydrophobicContact CZ2-CD1 3.78Å; W455-F462 HydrophobicContact CZ2-CD2 4.45Å; W455-F462 AromaticContact CZ2-CG 3.6Å; W455-F462 HydrophobicContact CZ2-CG 3.6Å; W455-F462 HydrophobicContact CZ3-CB 4.14Å; W455-F462 PolarHBondContact N-O 3.46Å; W455-F462 VanDerWaalsContact N-O 3.08Å; W455-F462 AromaticContact NE1-CD2 3.38Å; W455-F462 AromaticContact NE1-CG 3.42Å; W455-F462 PolarHBondContact O-N 2.93Å; R457-F462 HydrophobicContact CB-CE2 4.14Å; I460-F462 HydrophobicContact CB-CE2 4.14Å; I460-F462 HydrophobicContact CG2-CD2 4.13Å; I460-F462 HydrophobicContact CG2-CE2 3.48Å; I460-F462 VanDerWaalsContact CG2-CE2 3.48Å; I460-F462 HydrophobicContact CG2-CZ 3.75Å
463	H	98.8	Very high	96.5	Very high	11 Å²	11	36.7 Å²	36.7	5%	0.051	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	110.5	178	-44.1	81	0	0	0	108	I388 L389 Q399 V403 V453 E454	I388-H463 CarbonylContact C-O 3.56Å; I388-H463 VanDerWaalsContact CA-O 3.32Å; I388-H463 WeakPolarHBondContact CA-O 3.49Å; L389-H463 HydrophobicContact CB-CB 4.31Å; L389-H463 PolarHBondContact N-O 2.68Å; L389-H463 PolarHBondContact O-N 3.11Å; L389-H463 PolarHBondContact O-ND1 3.3Å; Q399-H463 VanDerWaalsContact CB-CE1 3.42Å; Q399-H463 WeakPolarHBondContact CB-CE1 3.4Å; V403-H463 HydrophobicContact CG1-CB 3.9Å; V453-H463 CarbonylContact O-C 3.26Å; V453-H463 WeakPolarHBondContact O-CA 3.48Å; E454-H463 IonicContact OE1-NE2 4Å
464	F	98.9	Very high	95.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	143.6	179.7	171.3	-80.1	0	0	0	110.2	V352 Y386 H387 I388 F433 L446 V452 V453 W455 P466	V352-F464 HydrophobicContact CG1-CD2 4Å; V352-F464 HydrophobicContact CG1-CE2 4.11Å; V352-F464 HydrophobicContact CG2-CD2 4.42Å; V352-F464 HydrophobicContact CG2-CE2 3.71Å; V352-F464 HydrophobicContact CG2-CZ 4.47Å; Y386-F464 VanDerWaalsContact CB-CE2 3.45Å; Y386-F464 HydrophobicContact CD1-CE2 4.17Å; Y386-F464 AromaticContact CD2-CD2 3.87Å; Y386-F464 HydrophobicContact CD2-CD2 3.87Å; Y386-F464 AromaticContact CD2-CE2 3.42Å; Y386-F464 HydrophobicContact CD2-CE2 3.42Å; Y386-F464 VanDerWaalsContact CD2-CE2 3.42Å; Y386-F464 HydrophobicContact CD2-CZ 4.39Å; Y386-F464 HydrophobicContact CE2-CE2 4.17Å; Y386-F464 HydrophobicContact CG-CD2 4.29Å; Y386-F464 AromaticContact CG-CE2 3.43Å; Y386-F464 HydrophobicContact CG-CE2 3.43Å; Y386-F464 VanDerWaalsContact CG-CE2 3.43Å; Y386-F464 AromaticContact CG-CZ 3.99Å; Y386-F464 HydrophobicContact CG-CZ 3.99Å; H387-F464 WeakPolarHBondContact O-CA 3.48Å; I388-F464 HydrophobicContact CD1-CD2 4.23Å; I388-F464 HydrophobicContact CG1-CB 4.41Å; I388-F464 HydrophobicContact CG1-CD2 3.85Å; F433-F464 HydrophobicContact CD1-CZ 4.47Å; F433-F464 HydrophobicContact CE1-CD1 4.11Å; F433-F464 AromaticContact CE1-CE1 3.78Å; F433-F464 HydrophobicContact CE1-CE1 3.78Å; F433-F464 HydrophobicContact CE1-CE2 4.29Å; F433-F464 AromaticContact CE1-CZ 3.87Å; F433-F464 HydrophobicContact CE1-CZ 3.87Å; F433-F464 AromaticContact CZ-CD1 3.87Å; F433-F464 HydrophobicContact CZ-CD1 3.87Å; F433-F464 HydrophobicContact CZ-CD2 4.18Å; F433-F464 HydrophobicContact CZ-CE1 4.01Å; F433-F464 HydrophobicContact CZ-CE2 4.26Å; F433-F464 AromaticContact CZ-CG 3.98Å; F433-F464 HydrophobicContact CZ-CG 3.98Å; F433-F464 HydrophobicContact CZ-CZ 4.2Å; L446-F464 HydrophobicContact CD2-CD1 4.49Å; L446-F464 HydrophobicContact CD2-CE1 3.68Å; L446-F464 HydrophobicContact CD2-CZ 4.43Å; V452-F464 CarbonylContact C-O 3.53Å; V452-F464 VanDerWaalsContact CA-O 3.26Å; V452-F464 WeakPolarHBondContact CA-O 3.15Å; V453-F464 HydrophobicContact CB-CB 4.46Å; V453-F464 PolarHBondContact N-O 2.91Å; V453-F464 PolarHBondContact O-N 2.97Å; W455-F464 HydrophobicContact CH2-CB 3.83Å; W455-F464 HydrophobicContact CZ3-CB 3.46Å; W455-F464 VanDerWaalsContact CZ3-CB 3.46Å; W455-F464 HydrophobicContact CZ3-CG 4.42Å; F464-P466 HydrophobicContact CE1-CB 4.5Å
465	T	98.9	Very high	94.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	142.9	163.1	-174.1	0	0	0	0	109.1	W61 Y386 H387 V403 A407	W61-T465 HydrophobicContact CZ2-CG2 4.34Å; W61-T465 WeakPolarHBondContact CZ2-OG1 3.39Å; W61-T465 PolarHBondContact NE1-OG1 3.35Å; W61-T465 VanDerWaalsContact NE1-OG1 3.1Å; Y386-T465 WeakPolarHBondContact CA-O 3.25Å; Y386-T465 WeakPolarHBondContact CB-O 3.43Å; H387-T465 PolarHBondContact N-O 3.05Å; H387-T465 PolarHBondContact O-N 2.53Å; H387-T465 VanDerWaalsContact O-N 3.12Å; V403-T465 HydrophobicContact CB-CG2 4.43Å; V403-T465 HydrophobicContact CG1-CG2 4.03Å; V403-T465 HydrophobicContact CG2-CG2 3.97Å; V403-T465 WeakPolarHBondContact O-CG2 3.34Å; A407-T465 HydrophobicContact CB-CG2 3.5Å
466	P	98.7	Very high	93.5	Very high	2 Å²	2	43 Å²	43	1%	0.013	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	165.1	172.1	35.9	-39.8	0	0	0	110.5	L57 W61 V385 L427 A429 P451 F464	L57-P466 HydrophobicContact CD1-CG 3.54Å; W61-P466 WeakPolarHBondContact CH2-O 3.42Å; W61-P466 WeakPolarHBondContact CZ2-O 3.48Å; V385-P466 CarbonylContact O-C 3.55Å; V385-P466 WeakPolarHBondContact O-CA 3.23Å; L427-P466 HydrophobicContact CD1-CB 3.51Å; L427-P466 HydrophobicContact CD1-CG 3.71Å; A429-P466 HydrophobicContact CB-CB 3.42Å; A429-P466 VanDerWaalsContact CB-CB 3.42Å; P451-P466 WeakPolarHBondContact O-CD 3.31Å; F464-P466 HydrophobicContact CE1-CB 4.5Å
467	V	98.5	Very high	92.7	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.024	22%	0.22	C	C	.	.			trans	-101.6	141.7	174	176.9	0	0	0	0	109.9	V385 H387 A407 A410 V469	V385-V467 PolarHBondContact O-N 2.9Å; H387-V467 WeakPolarHBondContact NE2-CG2 3.25Å; A407-V467 HydrophobicContact CB-CG2 4.18Å; A410-V467 HydrophobicContact CB-CG1 3.91Å; V467-V469 HydrophobicContact CB-CG2 4.3Å; V467-V469 HydrophobicContact CG1-CG2 4.11Å; V467-V469 PolarHBondContact O-N 2.62Å
468	L	98.4	Very high	92.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	89.1	166.2	-66.8	-176.3	0	0	0	108.7	E54 L57 A58 W61 G411 I420 V425 L427 C470	E54-L468 HydrophobicContact CB-CD2 3.99Å; E54-L468 HydrophobicContact CG-CD2 3.86Å; L57-L468 HydrophobicContact CB-CD2 4.42Å; L57-L468 HydrophobicContact CD1-CD2 4.41Å; L57-L468 HydrophobicContact CD2-CD1 3.9Å; L57-L468 HydrophobicContact CD2-CD2 4.03Å; L57-L468 HydrophobicContact CD2-CG 3.82Å; A58-L468 HydrophobicContact CB-CD1 4Å; W61-L468 HydrophobicContact CE3-CD1 4.2Å; W61-L468 HydrophobicContact CH2-CB 4.49Å; W61-L468 HydrophobicContact CH2-CG 4.02Å; W61-L468 HydrophobicContact CZ3-CB 4.19Å; W61-L468 HydrophobicContact CZ3-CD1 3.71Å; W61-L468 HydrophobicContact CZ3-CG 3.68Å; G411-L468 WeakPolarHBondContact CA-O 3.49Å; I420-L468 HydrophobicContact CG2-CD1 3.8Å; V425-L468 HydrophobicContact CB-CB 3.91Å; V425-L468 HydrophobicContact CG1-CB 4.2Å; V425-L468 HydrophobicContact CG2-CB 3.99Å; V425-L468 HydrophobicContact CG2-CD1 4.32Å; L427-L468 HydrophobicContact CB-CD2 4.45Å; L468-C470 PolarHBondContact O-N 2.88Å
469	V	97	Very high	91.8	Very high	11 Å²	11	35.3 Å²	35.3	7%	0.067	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	124.4	-170.4	-173.8	0	0	0	0	110.2	L384 V385 V425 S426 R428 V467 K471	L384-V469 HydrophobicContact CD1-CG1 3.97Å; L384-V469 HydrophobicContact CG-CG1 4.41Å; L384-V469 VanDerWaalsContact O-CG2 3.3Å; L384-V469 WeakPolarHBondContact O-CG2 3.33Å; V385-V469 HydrophobicContact CG1-CG2 4.23Å; V425-V469 CarbonylContact C-O 3.55Å; V425-V469 VanDerWaalsContact CA-O 3.24Å; V425-V469 WeakPolarHBondContact CA-O 3.46Å; S426-V469 PolarHBondContact N-O 3.21Å; S426-V469 PolarHBondContact O-N 3.3Å; R428-V469 HydrophobicContact CB-CG2 4.39Å; R428-V469 HydrophobicContact CG-CG2 4.48Å; V467-V469 HydrophobicContact CB-CG2 4.3Å; V467-V469 HydrophobicContact CG1-CG2 4.11Å; V467-V469 PolarHBondContact O-N 2.62Å; V469-K471 PolarHBondContact O-N 2.78Å
470	C	95	Very high	91.6	Very high	10 Å²	10	34.5 Å²	34.5	7%	0.068	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	127	173.8	-166.3	0	0	0	0	110.3	A414 C415 L468 P473	A414-C470 HydrophobicContact CB-CB 3.69Å; C415-C470 WeakPolarHBondContact CA-SG 3.28Å; C415-C470 HydrophobicContact CB-CB 4.12Å; C415-C470 WeakPolarHBondContact CB-SG 3.48Å; C415-C470 PolarHBondContact N-SG 3.11Å; C415-C470 WeakPolarHBondContact SG-CB 3.38Å; C415-C470 CovalentContact SG-SG 2.04Å; C415-C470 PolarHBondContact SG-SG 3.44Å; L468-C470 PolarHBondContact O-N 2.88Å; C470-P473 HydrophobicContact CB-CB 4.43Å
471	K	90.9	Very high	91.6	Very high	97 Å²	97	34.9 Å²	34.9	42%	0.422	19%	0.193	S	C	.	.	S	Bend	trans	-73.5	-37.4	180	-68.2	-178.7	-70.8	174.6	0	111.9	S423 R424 V469 P473	S423-K471 WeakPolarHBondContact O-CE 3.31Å; S423-K471 PolarHBondContact O-NZ 2.84Å; R424-K471 VanDerWaalsContact C-CE 3.4Å; R424-K471 WeakPolarHBondContact O-CB 3.27Å; R424-K471 WeakPolarHBondContact O-CE 3.25Å; R424-K471 WeakPolarHBondContact O-CG 3.13Å; R424-K471 PolarHBondContact O-N 3.23Å; V469-K471 PolarHBondContact O-N 2.78Å; K471-P473 WeakPolarHBondContact O-CD 3.42Å
472	D	89.4	Confident	91.5	Very high	105 Å²	105	34.4 Å²	34.4	56%	0.561	19%	0.19	S	C	*	.	S	Bend	trans	-125.8	73.3	-176.3	-49.9	-58.9	0	0	0	108.7	R424	R424-D472 PolarHBondContact NH2-O 2.85Å
473	P	84.7	Confident	91.5	Very high	69 Å²	69	34.7 Å²	34.7	45%	0.448	19%	0.191	S	C	.	.			trans	-70.2	142	-174.8	29.8	-34.9	0	0	0	111.3	A414 C470 K471 T476	A414-P473 HydrophobicContact CB-CB 4.35Å; A414-P473 CarbonylContact O-C 3.38Å; A414-P473 VanDerWaalsContact O-CA 3.28Å; A414-P473 WeakPolarHBondContact O-CA 3.37Å; C470-P473 HydrophobicContact CB-CB 4.43Å; K471-P473 WeakPolarHBondContact O-CD 3.42Å; P473-T476 HydrophobicContact CB-CG2 3.66Å; P473-T476 HydrophobicContact CG-CG2 4.21Å
474	I	82.9	Confident	91.5	Very high	121 Å²	121	34.2 Å²	34.2	62%	0.621	19%	0.189	S	C	*	.	S	Bend	trans	-89.8	-41.4	174.6	-54.8	-170	0	0	0	110.2	A414 A416	A414-I474 PolarHBondContact O-N 2.83Å; A416-I474 HydrophobicContact CB-CB 4.39Å; A416-I474 HydrophobicContact CB-CD1 3.79Å; A416-I474 HydrophobicContact CB-CG1 4.38Å
475	R	73.1	Confident	91.5	Very high	72 Å²	72	34.2 Å²	34.2	27%	0.272	19%	0.189	S	C	.	.			trans	-151	127.7	178.9	-176	176.6	176	-161.4	-2.9	110.4	V156	V156-R475 PolarHBondContact O-NH2 2.04Å; V156-R475 VanDerWaalsContact O-NH2 3.07Å
476	T	76.4	Confident	91.5	Very high	80 Å²	80	35 Å²	35	49%	0.491	19%	0.193	S	C	.	.			trans	-120.8	-6.9	176.7	58.1	0	0	0	0	113.4	A414 P473 G478 L479	A414-T476 HydrophobicContact CB-CG2 4.39Å; P473-T476 HydrophobicContact CB-CG2 3.66Å; P473-T476 HydrophobicContact CG-CG2 4.21Å; T476-G478 PolarHBondContact O-N 3.41Å; T476-L479 VanDerWaalsContact O-CB 3.32Å; T476-L479 WeakPolarHBondContact O-CB 3.28Å; T476-L479 PolarHBondContact O-N 2.91Å
477	V	80.4	Confident	91.5	Very high	68 Å²	68	35 Å²	35	41%	0.412	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	132.2	171.4	-179.1	0	0	0	0	108.6	L479	V477-L479 VanDerWaalsContact C-N 3.32Å; V477-L479 PolarHBondContact O-N 3.02Å
478	G	84.6	Confident	91.5	Very high	10 Å²	10	34.8 Å²	34.8	10%	0.103	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	11.5	-178.3	0	0	0	0	0	115.5	T476 D481 A482	T476-G478 PolarHBondContact O-N 3.41Å; G478-D481 WeakPolarHBondContact CA-OD2 3.16Å; G478-D481 PolarHBondContact O-N 3.23Å; G478-A482 PolarHBondContact O-N 2.8Å
479	L	90.1	Very high	91.5	Very high	28 Å²	28	34.8 Å²	34.8	15%	0.147	19%	0.192	C	C	.	.	H	α-helix	trans	-68	-40.1	-177.5	-161.3	65.9	0	0	0	112	A410 Q413 A414 T476 V477 D481 A482 I483	A410-L479 HydrophobicContact CB-CD2 4.28Å; A410-L479 HydrophobicContact CB-CG 4.49Å; Q413-L479 HydrophobicContact CB-CD1 3.72Å; Q413-L479 HydrophobicContact CG-CD1 3.86Å; A414-L479 HydrophobicContact CB-CD2 4.23Å; T476-L479 VanDerWaalsContact O-CB 3.32Å; T476-L479 WeakPolarHBondContact O-CB 3.28Å; T476-L479 PolarHBondContact O-N 2.91Å; V477-L479 VanDerWaalsContact C-N 3.32Å; V477-L479 PolarHBondContact O-N 3.02Å; L479-D481 VanDerWaalsContact C-N 3.32Å; L479-D481 PolarHBondContact O-N 3.08Å; L479-A482 PolarHBondContact O-N 2.82Å; L479-I483 HydrophobicContact CG-CD1 4.07Å; L479-I483 VanDerWaalsContact O-CD1 3.3Å; L479-I483 WeakPolarHBondContact O-CD1 3.39Å; L479-I483 WeakPolarHBondContact O-CG1 3.44Å; L479-I483 PolarHBondContact O-N 3.45Å
480	G	92	Very high	91.6	Very high	20 Å²	20	35.6 Å²	35.6	21%	0.206	19%	0.194	C	C	.	.	H	α-helix	trans	-57.7	-44.2	175.1	0	0	0	0	0	112.5	A482 I483 S484	G480-A482 PolarHBondContact O-N 3.26Å; G480-I483 WeakPolarHBondContact O-CB 3.33Å; G480-I483 PolarHBondContact O-N 2.88Å; G480-I483 VanDerWaalsContact O-N 3.17Å; G480-S484 PolarHBondContact O-N 2.8Å
481	D	96.9	Very high	91.8	Very high	12 Å²	12	35.1 Å²	35.1	6%	0.064	19%	0.19	C	C	.	.	H	α-helix	trans	-59	-46.8	176.9	-58.2	-54.3	0	0	0	111.8	N159 L162 I163 G478 L479 I483 S484 A485	N159-D481 WeakPolarHBondContact CA-OD1 3.35Å; N159-D481 VanDerWaalsContact CB-OD1 3.24Å; N159-D481 WeakPolarHBondContact CB-OD1 3.2Å; N159-D481 PolarHBondContact ND2-OD1 3.14Å; N159-D481 PolarHBondContact ND2-OD2 3.15Å; L162-D481 HydrophobicContact CB-CB 3.8Å; L162-D481 WeakPolarHBondContact CD1-OD2 3.17Å; I163-D481 HydrophobicContact CG1-CB 3.87Å; G478-D481 WeakPolarHBondContact CA-OD2 3.16Å; G478-D481 PolarHBondContact O-N 3.23Å; L479-D481 VanDerWaalsContact C-N 3.32Å; L479-D481 PolarHBondContact O-N 3.08Å; D481-I483 PolarHBondContact O-N 3.22Å; D481-S484 PolarHBondContact O-N 2.96Å; D481-A485 WeakPolarHBondContact O-CB 3.35Å; D481-A485 PolarHBondContact O-N 3.02Å
482	A	97.5	Very high	92.1	Very high	2 Å²	2	31.5 Å²	31.5	2%	0.017	18%	0.175	C	C	.	.	H	α-helix	trans	-65.9	-37.2	176.7	0	0	0	0	0	112.7	K166 G478 L479 G480 E486	K166-A482 HydrophobicContact CB-CB 4.42Å; K166-A482 HydrophobicContact CD-CB 4.17Å; K166-A482 HydrophobicContact CG-CB 4.07Å; G478-A482 PolarHBondContact O-N 2.8Å; L479-A482 PolarHBondContact O-N 2.82Å; G480-A482 PolarHBondContact O-N 3.26Å; A482-E486 WeakPolarHBondContact O-CB 3.19Å; A482-E486 PolarHBondContact O-N 2.78Å
483	I	98.6	Very high	92.3	Very high	7 Å²	7	27.5 Å²	27.5	4%	0.036	15%	0.154	C	C	.	.	H	α-helix	trans	-61.8	-48	175	-69.4	159.3	0	0	0	110.3	H380 H382 H387 V409 A410 L479 G480 D481 E486 G487	H380-I483 PolarHBondContact CE1-O 3.41Å; H382-I483 HydrophobicContact CB-CD1 4.39Å; H382-I483 HydrophobicContact CB-CG2 3.82Å; H387-I483 WeakPolarHBondContact CE1-CG2 3.44Å; V409-I483 HydrophobicContact CG1-CG1 4.12Å; A410-I483 HydrophobicContact CB-CD1 3.77Å; A410-I483 HydrophobicContact CB-CG1 3.95Å; L479-I483 HydrophobicContact CG-CD1 4.07Å; L479-I483 VanDerWaalsContact O-CD1 3.3Å; L479-I483 WeakPolarHBondContact O-CD1 3.39Å; L479-I483 WeakPolarHBondContact O-CG1 3.44Å; L479-I483 PolarHBondContact O-N 3.45Å; G480-I483 WeakPolarHBondContact O-CB 3.33Å; G480-I483 PolarHBondContact O-N 2.88Å; G480-I483 VanDerWaalsContact O-N 3.17Å; D481-I483 PolarHBondContact O-N 3.22Å; I483-E486 PolarHBondContact O-N 3.02Å; I483-G487 PolarHBondContact O-N 3.41Å
484	S	98.8	Very high	92.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.9	-44.6	178.5	-82.4	0	0	0	0	112.5	E297 G480 D481 G487 L488	E297-S484 VanDerWaalsContact CD-OG 3.31Å; E297-S484 PolarHBondContact OE1-OG 3.32Å; E297-S484 WeakPolarHBondContact OE2-CB 3.08Å; E297-S484 PolarHBondContact OE2-OG 3.16Å; G480-S484 PolarHBondContact O-N 2.8Å; D481-S484 PolarHBondContact O-N 2.96Å; S484-G487 PolarHBondContact O-N 3.48Å; S484-L488 WeakPolarHBondContact O-CG 3.4Å; S484-L488 PolarHBondContact O-N 2.87Å
485	A	98.8	Very high	91.7	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-58.3	-48.8	175.1	0	0	0	0	0	111.7	I163 K166 F167 D481 G487 L488 F489	I163-A485 HydrophobicContact CG2-CB 4.09Å; K166-A485 HydrophobicContact CB-CB 3.84Å; K166-A485 HydrophobicContact CG-CB 3.79Å; F167-A485 HydrophobicContact CD1-CB 4.44Å; F167-A485 HydrophobicContact CD2-CB 4.29Å; F167-A485 HydrophobicContact CE1-CB 4.24Å; F167-A485 WeakPolarHBondContact CE1-O 3.36Å; F167-A485 HydrophobicContact CE2-CB 4.08Å; F167-A485 HydrophobicContact CG-CB 4.47Å; F167-A485 HydrophobicContact CZ-CB 4.05Å; D481-A485 WeakPolarHBondContact O-CB 3.35Å; D481-A485 PolarHBondContact O-N 3.02Å; A485-G487 PolarHBondContact O-N 2.79Å; A485-L488 PolarHBondContact O-N 2.57Å; A485-F489 WeakPolarHBondContact O-CB 3.27Å; A485-F489 PolarHBondContact O-N 3.37Å
486	E	98.8	Very high	91.1	Very high	17 Å²	17	26 Å²	26	8%	0.079	15%	0.147	C	C	.	.	H	α-helix	trans	-63.8	-42.6	178.2	-161	80.2	176.1	0	0	111.1	K166 A405 V409 A482 I483 L488 F489 Y490	K166-E486 WeakPolarHBondContact CE-OE2 3.36Å; K166-E486 IonicContact NZ-OE2 3.29Å; A405-E486 HydrophobicContact CB-CG 3.82Å; V409-E486 HydrophobicContact CB-CB 4.33Å; V409-E486 HydrophobicContact CB-CG 4.2Å; V409-E486 HydrophobicContact CG1-CB 3.72Å; V409-E486 HydrophobicContact CG1-CG 4.06Å; A482-E486 WeakPolarHBondContact O-CB 3.19Å; A482-E486 PolarHBondContact O-N 2.78Å; I483-E486 PolarHBondContact O-N 3.02Å; E486-L488 VanDerWaalsContact C-N 3.32Å; E486-L488 PolarHBondContact O-N 2.92Å; E486-F489 PolarHBondContact O-N 2.88Å; E486-Y490 HydrophobicContact CG-CD2 4.11Å; E486-Y490 HydrophobicContact CG-CE2 4.06Å; E486-Y490 VanDerWaalsContact O-CD2 3.32Å; E486-Y490 WeakPolarHBondContact O-CD2 3.08Å; E486-Y490 PolarHBondContact O-N 3.2Å; E486-Y490 VanDerWaalsContact O-N 3.14Å; E486-Y490 VanDerWaalsContact OE1-CE2 3.31Å; E486-Y490 WeakPolarHBondContact OE1-CE2 3.5Å
487	G	98.8	Very high	89.3	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.2	-41	175.6	0	0	0	0	0	112.6	R378 A402 I483 S484 A485 S491	R378-G487 PolarHBondContact NH2-O 3.28Å; A402-G487 WeakPolarHBondContact CB-O 3.2Å; I483-G487 PolarHBondContact O-N 3.41Å; S484-G487 PolarHBondContact O-N 3.48Å; A485-G487 PolarHBondContact O-N 2.79Å; G487-S491 WeakPolarHBondContact O-CB 3.22Å; G487-S491 PolarHBondContact O-N 2.93Å; G487-S491 PolarHBondContact O-OG 3.06Å
488	L	98.8	Very high	89.8	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-70.2	-42.3	176	-74.2	165.4	0	0	0	112.1	W72 F167 L257 V259 H295 S484 A485 E486 Y490 S491	W72-L488 PolarHBondContact NE1-O 3.25Å; F167-L488 HydrophobicContact CE1-CB 4.26Å; F167-L488 HydrophobicContact CZ-CB 3.88Å; F167-L488 HydrophobicContact CZ-CD1 4.14Å; L257-L488 HydrophobicContact CD1-CD2 4.4Å; L257-L488 HydrophobicContact CD2-CB 4.09Å; L257-L488 HydrophobicContact CD2-CD1 4.38Å; L257-L488 HydrophobicContact CD2-CD2 4.49Å; V259-L488 HydrophobicContact CG2-CD1 3.98Å; H295-L488 HydrophobicContact CB-CD1 3.88Å; H295-L488 HydrophobicContact CB-CD2 4.17Å; S484-L488 WeakPolarHBondContact O-CG 3.4Å; S484-L488 PolarHBondContact O-N 2.87Å; A485-L488 PolarHBondContact O-N 2.57Å; E486-L488 VanDerWaalsContact C-N 3.32Å; E486-L488 PolarHBondContact O-N 2.92Å; L488-Y490 PolarHBondContact O-N 3.47Å; L488-S491 WeakPolarHBondContact O-CB 3.24Å; L488-S491 PolarHBondContact O-N 3.31Å
489	F	98.7	Very high	90.1	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-58.6	-33.8	-179.9	-175.8	-119	0	0	0	113.4	R67 F167 N170 L173 A485 E486	R67-F489 VanDerWaalsContact CZ-CE2 3.44Å; R67-F489 VanDerWaalsContact NH1-CE1 3.31Å; F167-F489 HydrophobicContact CD1-CB 4.24Å; F167-F489 HydrophobicContact CD1-CD2 4.31Å; F167-F489 HydrophobicContact CE1-CB 3.91Å; N170-F489 HydrophobicContact CB-CE1 4.29Å; N170-F489 HydrophobicContact CB-CE2 3.79Å; N170-F489 HydrophobicContact CB-CZ 3.41Å; N170-F489 VanDerWaalsContact CB-CZ 3.41Å; N170-F489 VanDerWaalsContact CG-CE1 3.44Å; N170-F489 WeakPolarHBondContact OD1-CE1 3.4Å; N170-F489 WeakPolarHBondContact OD1-CZ 3.14Å; L173-F489 HydrophobicContact CB-CE2 4.25Å; L173-F489 HydrophobicContact CD2-CD2 3.77Å; L173-F489 HydrophobicContact CD2-CE2 3.79Å; A485-F489 WeakPolarHBondContact O-CB 3.27Å; A485-F489 PolarHBondContact O-N 3.37Å; E486-F489 PolarHBondContact O-N 2.88Å
490	Y	98.8	Very high	90.1	Very high	27 Å²	27	35.8 Å²	35.8	11%	0.106	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-5	175.9	-77.2	-94.9	0	0	0	113.9	I65 V66 R67 N398 A405 E486 L488	I65-Y490 HydrophobicContact CG2-CD1 3.95Å; I65-Y490 HydrophobicContact CG2-CE1 3.37Å; V66-Y490 WeakPolarHBondContact O-CD1 3.31Å; R67-Y490 HydrophobicContact CG-CE1 4.11Å; N398-Y490 WeakPolarHBondContact CB-O 3.37Å; N398-Y490 PolarHBondContact ND2-O 3.23Å; A405-Y490 HydrophobicContact CB-CD1 4.3Å; A405-Y490 HydrophobicContact CB-CD2 3.53Å; A405-Y490 HydrophobicContact CB-CE2 3.78Å; A405-Y490 HydrophobicContact CB-CG 3.81Å; E486-Y490 HydrophobicContact CG-CD2 4.11Å; E486-Y490 HydrophobicContact CG-CE2 4.06Å; E486-Y490 VanDerWaalsContact O-CD2 3.32Å; E486-Y490 WeakPolarHBondContact O-CD2 3.08Å; E486-Y490 PolarHBondContact O-N 3.2Å; E486-Y490 VanDerWaalsContact O-N 3.14Å; E486-Y490 VanDerWaalsContact OE1-CE2 3.31Å; E486-Y490 WeakPolarHBondContact OE1-CE2 3.5Å; L488-Y490 PolarHBondContact O-N 3.47Å
491	S	98.6	Very high	89.9	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.167	C	C	.	.			trans	-83.5	151.9	175.2	-63	0	0	0	0	111.3	W72 R378 G487 L488	W72-S491 VanDerWaalsContact CZ2-O 3.28Å; W72-S491 WeakPolarHBondContact CZ2-O 3.46Å; W72-S491 PolarHBondContact NE1-O 2.83Å; R378-S491 PolarHBondContact NE-OG 2.79Å; R378-S491 PolarHBondContact NH2-OG 2.88Å; G487-S491 WeakPolarHBondContact O-CB 3.22Å; G487-S491 PolarHBondContact O-N 2.93Å; G487-S491 PolarHBondContact O-OG 3.06Å; L488-S491 WeakPolarHBondContact O-CB 3.24Å; L488-S491 PolarHBondContact O-N 3.31Å
492	E	96.9	Very high	89.5	Confident	22 Å²	22	38.3 Å²	38.3	10%	0.103	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.5	170.1	179.5	173	159.4	0	0	110	P68 V69 R70 W396 A397	P68-E492 HydrophobicContact CB-CB 3.71Å; V69-E492 PolarHBondContact N-OE2 2.91Å; V69-E492 VanDerWaalsContact N-OE2 3.12Å; R70-E492 HydrophobicContact CB-CG 4.06Å; R70-E492 VanDerWaalsContact CD-OE1 3.3Å; R70-E492 WeakPolarHBondContact CD-OE1 3.32Å; R70-E492 WeakPolarHBondContact CG-OE1 3.24Å; R70-E492 PolarHBondContact N-OE2 2.93Å; W396-E492 CarbonylContact C-O 3.59Å; W396-E492 VanDerWaalsContact CA-O 3.3Å; W396-E492 WeakPolarHBondContact CA-O 3.36Å; A397-E492 HydrophobicContact CB-CB 4.15Å; A397-E492 PolarHBondContact N-O 2.71Å; A397-E492 PolarHBondContact O-N 3.32Å
493	V	94.1	Very high	89	Confident	21 Å²	21	40.7 Å²	40.7	13%	0.127	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	130.4	172.1	173.8	0	0	0	0	109.9	W72 P293 W396	W72-V493 HydrophobicContact CH2-CB 3.91Å; W72-V493 HydrophobicContact CH2-CG2 3.69Å; W72-V493 HydrophobicContact CZ2-CG2 4.33Å; P293-V493 HydrophobicContact CB-CG2 4.04Å; P293-V493 HydrophobicContact CG-CG2 3.98Å; W396-V493 HydrophobicContact CD2-CG2 4.01Å; W396-V493 HydrophobicContact CE3-CG2 3.55Å; W396-V493 HydrophobicContact CH2-CG2 3.31Å; W396-V493 HydrophobicContact CZ2-CG2 3.76Å; W396-V493 HydrophobicContact CZ3-CG2 3.2Å
494	H	87.8	Confident	88.3	Confident	69 Å²	69	43.1 Å²	43.1	32%	0.319	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-70.2	133.3	171.1	-72.6	-53.8	0	0	0	110.3	G394 H395 H496	G394-H494 PolarHBondContact O-CD2 3.46Å; H395-H494 PolarHBondContact O-N 3.07Å; H494-H496 PolarHBondContact O-N 2.72Å
495	P	67.5	Low	87.5	Confident	62 Å²	62	46.4 Å²	46.4	40%	0.403	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-62.9	129.3	174.1	23.7	-22.6	0	0	0	108.7	Y497	P495-Y497 HydrophobicContact CG-CE2 4.03Å; P495-Y497 PolarHBondContact O-N 3.23Å
496	H	60.5	Low	86.5	Confident	98 Å²	98	50.2 Å²	50.2	45%	0.454	23%	0.226	S	C	.	.			trans	-67.3	113	170.8	-61.6	-32.3	0	0	0	108	R368 H395 H494	R368-H496 PolarHBondContact NH1-CE1 3.14Å; R368-H496 PolarHBondContact NH1-NE2 3.36Å; H395-H496 AromaticContact ND1-CE1 3.5Å; H395-H496 PolarHBondContact ND1-CE1 3.26Å; H395-H496 AromaticContact ND1-ND1 3.97Å; H494-H496 PolarHBondContact O-N 2.72Å
497	Y	39.3	Very low	85.4	Confident	285 Å²	285	53.2 Å²	53.2	100%	1.118	24%	0.239	S	C	*	.			trans	-93.3	0	167.7	-81.1	-74.9	0	0	0	110.5	P495	P495-Y497 HydrophobicContact CG-CE2 4.03Å; P495-Y497 PolarHBondContact O-N 3.23Å

Retrieved 497 of 497 residues in 1981.1 ms (Link to these results)

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