A0A096N9P7_PAPAN Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession A0A096N9P7, Species PAPAN (Papio anubis, Olive baboon), Gene GALNT6, Length 622 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.3	Very low	44.9	Very low	232 Å²	232	171.5 Å²	171.5	100%	1.143	80%	0.8	S	S	*	*				0	119.6	0	-103	170.2	165	0	0	108.5
2	R	34.9	Very low	45.5	Very low	223 Å²	223	173.8 Å²	173.8	84%	0.842	80%	0.795	S	S	*	*			trans	44.2	134.6	140.3	-68.7	177.8	-179.3	-175.9	0.7	118.3
3	L	36	Very low	46.7	Very low	148 Å²	148	170.5 Å²	170.5	78%	0.775	79%	0.787	S	S	*	*			cis	-174.4	152.8	18.9	-118.9	153.1	0	0	0	107.8
4	L	46.4	Very low	48.2	Very low	159 Å²	159	162.3 Å²	162.3	83%	0.832	76%	0.764	S	S	*	*			trans	-53.9	148.2	175.3	-72.4	98.1	0	0	0	114.5
5	R	35.2	Very low	49.6	Very low	252 Å²	252	158 Å²	158	95%	0.951	75%	0.746	S	S	*	*			trans	-149.9	101.1	148	-130.1	174.3	-175.3	-179.2	1	114.6
6	R	41.5	Very low	50.9	Low	230 Å²	230	154.3 Å²	154.3	87%	0.868	74%	0.737	S	S	*	*			trans	-1.9	132.2	156.6	-85.4	173.1	165.1	170.7	-5.2	120.6
7	H	48.7	Very low	52.3	Low	177 Å²	177	147.2 Å²	147.2	82%	0.819	72%	0.715	S	S	*	*			trans	-45.4	130.2	148.7	-77.8	-64.8	0	0	0	113.6
8	H	48.2	Very low	53.3	Low	150 Å²	150	144.2 Å²	144.2	69%	0.694	71%	0.71	S	S	*	*			trans	-174.9	81.5	147.3	-87.9	-55.7	0	0	0	109.5
9	T	58.5	Low	54.2	Low	99 Å²	99	141.1 Å²	141.1	61%	0.607	70%	0.7	S	S	*	*			trans	-122.4	-31.4	177.4	3.3	0	0	0	0	115.2
10	P	54.8	Low	55	Low	102 Å²	102	140.6 Å²	140.6	66%	0.662	69%	0.694	S	S	*	*	H	α-helix	trans	-78.8	-29	-175.2	26.7	-30.3	0	0	0	113.9	L13 A14	P10-L13 PolarHBondContact O-N 3.14Å; P10-A14 PolarHBondContact O-N 3.5Å; P10-A14 VanDerWaalsContact O-N 3.14Å
11	L	55.8	Low	56	Low	115 Å²	115	138.5 Å²	138.5	60%	0.602	69%	0.688	S	S	*	*	H	α-helix	trans	-71	-33.7	-176.6	-167.6	68.9	0	0	0	113	I15	L11-I15 HydrophobicContact CG-CD1 4.26Å; L11-I15 WeakPolarHBondContact O-CD1 3.46Å; L11-I15 VanDerWaalsContact O-CG1 3.27Å; L11-I15 WeakPolarHBondContact O-CG1 3.27Å; L11-I15 PolarHBondContact O-N 3.16Å; L11-I15 VanDerWaalsContact O-N 3.16Å
12	R	51.4	Low	57.8	Low	198 Å²	198	134 Å²	134	75%	0.747	66%	0.663	S	S	*	*	H	α-helix	trans	-72.9	-36.5	178.1	-73.6	-172.7	176	-172.4	-1.6	112.2	I15 V16	R12-I15 PolarHBondContact O-N 3.35Å; R12-V16 VanDerWaalsContact O-CG2 3.31Å; R12-V16 WeakPolarHBondContact O-CG2 3.45Å; R12-V16 PolarHBondContact O-N 3.43Å; R12-V16 VanDerWaalsContact O-N 3.1Å
13	L	61.2	Low	59.5	Low	131 Å²	131	129.5 Å²	129.5	69%	0.686	65%	0.65	S	S	*	*	H	α-helix	trans	-66.6	-39.3	174.6	-96.2	140.8	0	0	0	111.9	P10 V16 G17	P10-L13 PolarHBondContact O-N 3.14Å; L13-V16 PolarHBondContact O-N 2.94Å; L13-G17 PolarHBondContact O-N 2.97Å
14	A	67.6	Low	60.9	Low	56 Å²	56	126.7 Å²	126.7	46%	0.463	64%	0.635	S	S	.	*	H	α-helix	trans	-64	-42.3	175.2	0	0	0	0	0	112.4	P10 G17 C18	P10-A14 PolarHBondContact O-N 3.5Å; P10-A14 VanDerWaalsContact O-N 3.14Å; A14-G17 PolarHBondContact O-N 3.1Å; A14-C18 PolarHBondContact O-N 2.97Å; A14-C18 PolarHBondContact O-SG 3.37Å
15	I	69.7	Low	62	Low	98 Å²	98	126 Å²	126	50%	0.503	63%	0.625	S	S	.	*	H	α-helix	trans	-64.4	-42.8	177.9	-67.6	165.7	0	0	0	111	L11 R12 C18 T19	L11-I15 HydrophobicContact CG-CD1 4.26Å; L11-I15 WeakPolarHBondContact O-CD1 3.46Å; L11-I15 VanDerWaalsContact O-CG1 3.27Å; L11-I15 WeakPolarHBondContact O-CG1 3.27Å; L11-I15 PolarHBondContact O-N 3.16Å; L11-I15 VanDerWaalsContact O-N 3.16Å; R12-I15 PolarHBondContact O-N 3.35Å; I15-C18 PolarHBondContact O-N 3.47Å; I15-T19 WeakPolarHBondContact O-CG2 3.42Å; I15-T19 PolarHBondContact O-N 3.46Å; I15-T19 PolarHBondContact O-OG1 3.01Å; I15-T19 VanDerWaalsContact O-OG1 3.1Å
16	V	70.5	Confident	63.3	Low	98 Å²	98	118 Å²	118	59%	0.594	60%	0.601	S	S	*	*	H	α-helix	trans	-63.5	-42.9	176.9	173.6	0	0	0	0	111.1	R12 L13 T19 F20	R12-V16 VanDerWaalsContact O-CG2 3.31Å; R12-V16 WeakPolarHBondContact O-CG2 3.45Å; R12-V16 PolarHBondContact O-N 3.43Å; R12-V16 VanDerWaalsContact O-N 3.1Å; L13-V16 PolarHBondContact O-N 2.94Å; V16-T19 WeakPolarHBondContact CA-OG1 3.41Å; V16-T19 PolarHBondContact O-N 3.46Å; V16-T19 PolarHBondContact O-OG1 3.01Å; V16-F20 PolarHBondContact O-N 3.1Å
17	G	73.6	Confident	64.3	Low	35 Å²	35	111.4 Å²	111.4	36%	0.361	58%	0.583	S	S	.	*	H	α-helix	trans	-59.9	-46.3	175.2	0	0	0	0	0	112.9	L13 A14 T19 F20 V21	L13-G17 PolarHBondContact O-N 2.97Å; A14-G17 PolarHBondContact O-N 3.1Å; G17-T19 PolarHBondContact O-N 3.44Å; G17-F20 PolarHBondContact O-N 2.79Å; G17-V21 WeakPolarHBondContact O-CG2 3.31Å; G17-V21 PolarHBondContact O-N 3.03Å; G17-V21 VanDerWaalsContact O-N 3.08Å
18	C	71.4	Confident	64.3	Low	93 Å²	93	109.8 Å²	109.8	63%	0.628	58%	0.575	S	S	*	*	H	α-helix	trans	-64.9	-39.5	177.3	-72	0	0	0	0	112.6	A14 I15 F20 V21 F22	A14-C18 PolarHBondContact O-N 2.97Å; A14-C18 PolarHBondContact O-SG 3.37Å; I15-C18 PolarHBondContact O-N 3.47Å; C18-F20 VanDerWaalsContact C-N 3.32Å; C18-F20 PolarHBondContact O-N 3.35Å; C18-V21 PolarHBondContact O-N 3.08Å; C18-F22 WeakPolarHBondContact O-CB 3.36Å; C18-F22 PolarHBondContact O-N 3.3Å
19	T	70.4	Confident	64.2	Low	85 Å²	85	111.4 Å²	111.4	52%	0.521	58%	0.575	S	S	.	*	H	α-helix	trans	-65.3	-35.2	176.1	49.7	0	0	0	0	112.6	I15 V16 G17 F23	I15-T19 WeakPolarHBondContact O-CG2 3.42Å; I15-T19 PolarHBondContact O-N 3.46Å; I15-T19 PolarHBondContact O-OG1 3.01Å; I15-T19 VanDerWaalsContact O-OG1 3.1Å; V16-T19 WeakPolarHBondContact CA-OG1 3.41Å; V16-T19 PolarHBondContact O-N 3.46Å; V16-T19 PolarHBondContact O-OG1 3.01Å; G17-T19 PolarHBondContact O-N 3.44Å; T19-F23 WeakPolarHBondContact O-CB 3.41Å; T19-F23 PolarHBondContact O-N 3.5Å
20	F	69.4	Low	63.6	Low	131 Å²	131	112.8 Å²	112.8	58%	0.575	58%	0.579	S	S	*	*	H	α-helix	trans	-70.5	-42	178.1	-173.3	-106.2	0	0	0	112	V16 G17 C18 F23 L24	V16-F20 PolarHBondContact O-N 3.1Å; G17-F20 PolarHBondContact O-N 2.79Å; C18-F20 VanDerWaalsContact C-N 3.32Å; C18-F20 PolarHBondContact O-N 3.35Å; F20-F23 PolarHBondContact O-N 3.36Å; F20-L24 HydrophobicContact CD1-CD1 3.91Å; F20-L24 HydrophobicContact CE1-CD1 3.56Å; F20-L24 HydrophobicContact CE1-CG 4.28Å; F20-L24 HydrophobicContact CZ-CD1 4.16Å; F20-L24 HydrophobicContact CZ-CG 4.49Å; F20-L24 WeakPolarHBondContact O-CG 3.45Å; F20-L24 PolarHBondContact O-N 3.44Å
21	V	75.9	Confident	63.1	Low	96 Å²	96	113.1 Å²	113.1	58%	0.582	58%	0.579	S	S	*	*	H	α-helix	trans	-66.1	-38.8	175.8	175.7	0	0	0	0	111.2	G17 C18 F23 L24 F25	G17-V21 WeakPolarHBondContact O-CG2 3.31Å; G17-V21 PolarHBondContact O-N 3.03Å; G17-V21 VanDerWaalsContact O-N 3.08Å; C18-V21 PolarHBondContact O-N 3.08Å; V21-F23 VanDerWaalsContact C-N 3.34Å; V21-F23 PolarHBondContact O-N 2.98Å; V21-L24 PolarHBondContact O-N 3.39Å; V21-F25 PolarHBondContact O-N 2.97Å
22	F	71.8	Confident	62.3	Low	138 Å²	138	112.2 Å²	112.2	61%	0.605	58%	0.582	S	S	*	*	H	α-helix	trans	-65.3	-37.7	175.2	-158.4	-95.7	0	0	0	112	C18 F25 L26	C18-F22 WeakPolarHBondContact O-CB 3.36Å; C18-F22 PolarHBondContact O-N 3.3Å; F22-F25 PolarHBondContact O-N 3.49Å; F22-L26 HydrophobicContact CD1-CD1 3.91Å; F22-L26 HydrophobicContact CD1-CG 4.27Å; F22-L26 HydrophobicContact CE1-CD1 3.92Å; F22-L26 HydrophobicContact CE1-CD2 4.5Å; F22-L26 HydrophobicContact CE1-CG 4.23Å; F22-L26 WeakPolarHBondContact O-CG 3.43Å; F22-L26 PolarHBondContact O-N 3.3Å
23	F	71.6	Confident	61.5	Low	129 Å²	129	109.8 Å²	109.8	57%	0.566	58%	0.584	S	S	*	*	H	α-helix	trans	-66.5	-40.2	175.4	-162	-97.3	0	0	0	112.4	T19 F20 V21 F25 L26 L27	T19-F23 WeakPolarHBondContact O-CB 3.41Å; T19-F23 PolarHBondContact O-N 3.5Å; F20-F23 PolarHBondContact O-N 3.36Å; V21-F23 VanDerWaalsContact C-N 3.34Å; V21-F23 PolarHBondContact O-N 2.98Å; F23-F25 VanDerWaalsContact C-N 3.32Å; F23-F25 PolarHBondContact O-N 3.01Å; F23-L26 PolarHBondContact O-N 3.29Å; F23-L27 HydrophobicContact CD1-CD1 3.75Å; F23-L27 HydrophobicContact CD1-CG 4.38Å; F23-L27 HydrophobicContact CE1-CD1 3.7Å; F23-L27 HydrophobicContact CE1-CG 4.25Å; F23-L27 PolarHBondContact O-N 2.96Å
24	L	65.9	Low	60.2	Low	88 Å²	88	114.5 Å²	114.5	46%	0.461	59%	0.593	S	S	.	*	H	α-helix	trans	-64.3	-36.5	172.8	-73.1	173.5	0	0	0	112.1	F20 V21 L27 H28	F20-L24 HydrophobicContact CD1-CD1 3.91Å; F20-L24 HydrophobicContact CE1-CD1 3.56Å; F20-L24 HydrophobicContact CE1-CG 4.28Å; F20-L24 HydrophobicContact CZ-CD1 4.16Å; F20-L24 HydrophobicContact CZ-CG 4.49Å; F20-L24 WeakPolarHBondContact O-CG 3.45Å; F20-L24 PolarHBondContact O-N 3.44Å; V21-L24 PolarHBondContact O-N 3.39Å; L24-L27 PolarHBondContact O-N 3.08Å; L24-H28 WeakPolarHBondContact O-CB 3.38Å; L24-H28 PolarHBondContact O-N 3.3Å
25	F	68.6	Low	58.7	Low	144 Å²	144	120.9 Å²	120.9	63%	0.632	61%	0.613	S	S	*	*	H	α-helix	trans	-68.3	-37.9	176.9	-154.7	-90.3	0	0	0	112.3	V21 F22 F23 H28 R29	V21-F25 PolarHBondContact O-N 2.97Å; F22-F25 PolarHBondContact O-N 3.49Å; F23-F25 VanDerWaalsContact C-N 3.32Å; F23-F25 PolarHBondContact O-N 3.01Å; F25-H28 PolarHBondContact O-N 3.42Å; F25-R29 WeakPolarHBondContact O-CB 3.4Å; F25-R29 PolarHBondContact O-N 3.02Å
26	L	62.5	Low	57.1	Low	85 Å²	85	125.6 Å²	125.6	45%	0.445	63%	0.633	S	S	.	*	H	α-helix	trans	-66.1	-43.5	173.2	-71.2	173.4	0	0	0	111.9	F22 F23 H28 R29 D30	F22-L26 HydrophobicContact CD1-CD1 3.91Å; F22-L26 HydrophobicContact CD1-CG 4.27Å; F22-L26 HydrophobicContact CE1-CD1 3.92Å; F22-L26 HydrophobicContact CE1-CD2 4.5Å; F22-L26 HydrophobicContact CE1-CG 4.23Å; F22-L26 WeakPolarHBondContact O-CG 3.43Å; F22-L26 PolarHBondContact O-N 3.3Å; F23-L26 PolarHBondContact O-N 3.29Å; L26-H28 VanDerWaalsContact C-N 3.29Å; L26-H28 PolarHBondContact O-N 3.3Å; L26-R29 PolarHBondContact O-N 3.46Å; L26-D30 PolarHBondContact O-N 3.45Å; L26-D30 VanDerWaalsContact O-N 3.08Å
27	L	62.3	Low	55.2	Low	92 Å²	92	125.8 Å²	125.8	48%	0.482	64%	0.644	S	S	.	*	H	α-helix	trans	-61.7	-36.6	174.7	-80.3	168.6	0	0	0	112.5	F23 L24 V31	F23-L27 HydrophobicContact CD1-CD1 3.75Å; F23-L27 HydrophobicContact CD1-CG 4.38Å; F23-L27 HydrophobicContact CE1-CD1 3.7Å; F23-L27 HydrophobicContact CE1-CG 4.25Å; F23-L27 PolarHBondContact O-N 2.96Å; L24-L27 PolarHBondContact O-N 3.08Å; L27-V31 WeakPolarHBondContact O-CG2 3.45Å
28	H	48.6	Very low	53.3	Low	143 Å²	143	130.4 Å²	130.4	66%	0.662	67%	0.666	S	S	*	*	H	α-helix	trans	-74.1	-35.2	178.8	-153	53.1	0	0	0	112.2	L24 F25 L26 V31	L24-H28 WeakPolarHBondContact O-CB 3.38Å; L24-H28 PolarHBondContact O-N 3.3Å; F25-H28 PolarHBondContact O-N 3.42Å; L26-H28 VanDerWaalsContact C-N 3.29Å; L26-H28 PolarHBondContact O-N 3.3Å; H28-V31 PolarHBondContact O-N 3Å
29	R	46.5	Very low	52.1	Low	183 Å²	183	135.3 Å²	135.3	69%	0.691	68%	0.68	S	S	*	*	H	α-helix	trans	-70.3	-31.1	177.5	-171.7	173.7	145.5	150.1	-2.8	112.9	F25 L26 V31 S32	F25-R29 WeakPolarHBondContact O-CB 3.4Å; F25-R29 PolarHBondContact O-N 3.02Å; L26-R29 PolarHBondContact O-N 3.46Å; R29-V31 VanDerWaalsContact C-N 3.27Å; R29-V31 PolarHBondContact O-N 3.38Å; R29-S32 PolarHBondContact O-N 3.49Å
30	D	46.6	Very low	50.6	Low	128 Å²	128	137.9 Å²	137.9	68%	0.684	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-15.3	174.4	-84.9	-9.9	0	0	0	113.7	L26	L26-D30 PolarHBondContact O-N 3.45Å; L26-D30 VanDerWaalsContact O-N 3.08Å
31	V	44.7	Very low	49.1	Very low	109 Å²	109	137.4 Å²	137.4	66%	0.661	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-23.6	175.7	174.3	0	0	0	0	112.1	L27 H28 R29	L27-V31 WeakPolarHBondContact O-CG2 3.45Å; H28-V31 PolarHBondContact O-N 3Å; R29-V31 VanDerWaalsContact C-N 3.27Å; R29-V31 PolarHBondContact O-N 3.38Å
32	S	38	Very low	47.3	Very low	97 Å²	97	140 Å²	140	68%	0.678	69%	0.693	S	S	*	*	S	Bend	trans	-85.1	-9.7	-177.9	-74.1	0	0	0	0	115.5	R29	R29-S32 PolarHBondContact O-N 3.49Å
33	N	34.6	Very low	45.7	Very low	147 Å²	147	138.1 Å²	138.1	79%	0.786	69%	0.689	S	S	*	*			trans	-112	82.4	174.2	-90.7	-0.1	0	0	0	110.6
34	R	35.1	Very low	44.2	Very low	230 Å²	230	140.7 Å²	140.7	87%	0.868	70%	0.7	S	S	*	*			trans	-133.4	73.7	164.6	-90.5	-171.2	171.2	-172.4	-1.9	110.1
35	E	34.1	Very low	42.8	Very low	189 Å²	189	139.6 Å²	139.6	88%	0.883	70%	0.7	S	S	*	*	S	Bend	trans	-118.5	134.9	147.5	-79	-176.8	160.2	0	0	107.4
36	E	36.4	Very low	41.3	Very low	197 Å²	197	137 Å²	137	92%	0.921	69%	0.691	S	S	*	*			trans	65.8	102.9	177	-62.8	-175.3	153.2	0	0	118.4
37	A	30.8	Very low	40.4	Very low	102 Å²	102	137.2 Å²	137.2	84%	0.843	70%	0.697	S	S	*	*			trans	-165	123.6	138.7	0	0	0	0	0	112.3
38	T	34.3	Very low	39.5	Very low	132 Å²	132	136.5 Å²	136.5	81%	0.81	70%	0.699	S	S	*	*			trans	-59.4	159.2	171	31.9	0	0	0	0	114.6	K40	T38-K40 PolarHBondContact O-N 3.39Å
39	E	46.5	Very low	39.2	Very low	197 Å²	197	138.6 Å²	138.6	92%	0.921	70%	0.701	S	S	*	*			trans	-39.2	126.6	177.9	-65.3	-177.8	135.8	0	0	114.4
40	K	37.6	Very low	39.2	Very low	139 Å²	139	136.8 Å²	136.8	60%	0.604	70%	0.698	S	S	*	*			trans	-136.5	132.6	163.3	-68.9	-169.8	178.7	176.7	0	112.8	T38 W42	T38-K40 PolarHBondContact O-N 3.39Å; K40-W42 VanDerWaalsContact C-N 3.3Å; K40-W42 VanDerWaalsContact CB-CD1 3.44Å; K40-W42 PolarHBondContact O-N 3.25Å; K40-W42 VanDerWaalsContact O-N 3.16Å
41	P	38.6	Very low	39	Very low	120 Å²	120	135.1 Å²	135.1	78%	0.779	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-11.4	-174.3	-23.6	33.8	0	0	0	117.8	L43 K44	P41-L43 VanDerWaalsContact C-N 3.29Å; P41-L43 PolarHBondContact O-N 3.49Å; P41-K44 PolarHBondContact O-N 3.11Å
42	W	38.3	Very low	38.9	Very low	150 Å²	150	135.9 Å²	135.9	57%	0.568	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-17	-177.4	65.5	-85.5	0	0	0	113.6	K40 K44 S45 L46	K40-W42 VanDerWaalsContact C-N 3.3Å; K40-W42 VanDerWaalsContact CB-CD1 3.44Å; K40-W42 PolarHBondContact O-N 3.25Å; K40-W42 VanDerWaalsContact O-N 3.16Å; W42-K44 VanDerWaalsContact C-N 3.27Å; W42-K44 PolarHBondContact O-N 3.36Å; W42-S45 PolarHBondContact O-N 3.16Å; W42-S45 PolarHBondContact O-OG 3.12Å; W42-S45 VanDerWaalsContact O-OG 3.12Å; W42-L46 HydrophobicContact CE3-CD1 3.38Å; W42-L46 HydrophobicContact CH2-CD1 4.36Å; W42-L46 HydrophobicContact CZ3-CD1 3.19Å
43	L	37.6	Very low	39.3	Very low	100 Å²	100	135.1 Å²	135.1	52%	0.524	68%	0.677	S	S	.	*	H	α-helix	trans	-65.7	-27.4	176.2	-87.4	153.2	0	0	0	112.8	P41 S45 L46 V47	P41-L43 VanDerWaalsContact C-N 3.29Å; P41-L43 PolarHBondContact O-N 3.49Å; L43-S45 VanDerWaalsContact C-N 3.31Å; L43-S45 PolarHBondContact O-N 3.43Å; L43-L46 PolarHBondContact O-N 3.47Å; L43-V47 PolarHBondContact O-N 3.11Å
44	K	40.7	Very low	39.9	Very low	183 Å²	183	132.6 Å²	132.6	80%	0.796	66%	0.662	S	S	*	*	H	α-helix	trans	-66.5	-29.1	175.7	-79.6	-176.8	175.4	178.6	0	113	P41 W42	P41-K44 PolarHBondContact O-N 3.11Å; W42-K44 VanDerWaalsContact C-N 3.27Å; W42-K44 PolarHBondContact O-N 3.36Å
45	S	37.3	Very low	40.3	Very low	65 Å²	65	126.4 Å²	126.4	46%	0.455	65%	0.646	S	S	.	*	H	α-helix	trans	-82.2	-18.8	179.2	80.1	0	0	0	0	113.6	W42 L43 R49	W42-S45 PolarHBondContact O-N 3.16Å; W42-S45 PolarHBondContact O-OG 3.12Å; W42-S45 VanDerWaalsContact O-OG 3.12Å; L43-S45 VanDerWaalsContact C-N 3.31Å; L43-S45 PolarHBondContact O-N 3.43Å; S45-R49 WeakPolarHBondContact O-CG 3.34Å; S45-R49 PolarHBondContact O-N 3.48Å
46	L	36.1	Very low	41.4	Very low	88 Å²	88	121.7 Å²	121.7	46%	0.461	63%	0.627	S	S	.	*	H	α-helix	trans	-79.3	-31.4	173.2	-90.9	147.2	0	0	0	112.8	W42 L43 K50	W42-L46 HydrophobicContact CE3-CD1 3.38Å; W42-L46 HydrophobicContact CH2-CD1 4.36Å; W42-L46 HydrophobicContact CZ3-CD1 3.19Å; L43-L46 PolarHBondContact O-N 3.47Å; L46-K50 PolarHBondContact O-N 3.26Å
47	V	44.5	Very low	41.5	Very low	91 Å²	91	118.2 Å²	118.2	55%	0.552	61%	0.612	S	S	*	*	H	α-helix	trans	-69	-44.1	175.5	178.9	0	0	0	0	110.5	L43 R49 K50 D51	L43-V47 PolarHBondContact O-N 3.11Å; V47-R49 VanDerWaalsContact C-N 3.3Å; V47-R49 PolarHBondContact O-N 2.93Å; V47-K50 WeakPolarHBondContact O-CB 3.42Å; V47-K50 PolarHBondContact O-N 3.42Å; V47-K50 VanDerWaalsContact O-N 3.1Å; V47-D51 PolarHBondContact O-N 3.03Å
48	S	43.8	Very low	42.4	Very low	76 Å²	76	117.4 Å²	117.4	53%	0.531	59%	0.593	S	S	.	*	H	α-helix	trans	-67.8	-28.8	176.8	93.8	0	0	0	0	113.3	H52	S48-H52 PolarHBondContact O-N 2.98Å
49	R	41.9	Very low	42.9	Very low	187 Å²	187	117.5 Å²	117.5	71%	0.706	58%	0.584	S	S	*	*	H	α-helix	trans	-73.1	-29.8	172.7	-82.3	-177.7	175.6	-174.3	-0.3	112.5	S45 V47 V53	S45-R49 WeakPolarHBondContact O-CG 3.34Å; S45-R49 PolarHBondContact O-N 3.48Å; V47-R49 VanDerWaalsContact C-N 3.3Å; V47-R49 PolarHBondContact O-N 2.93Å; R49-V53 VanDerWaalsContact O-CG2 3.26Å; R49-V53 WeakPolarHBondContact O-CG2 3.5Å; R49-V53 PolarHBondContact O-N 3.2Å; R49-V53 VanDerWaalsContact O-N 3.14Å
50	K	46.1	Very low	42.8	Very low	146 Å²	146	110.4 Å²	110.4	64%	0.635	56%	0.559	S	S	*	*	H	α-helix	trans	-69.3	-40.4	177.1	-165.6	-178	176.8	-175.5	0	111.4	L46 V47 V53 L54	L46-K50 PolarHBondContact O-N 3.26Å; V47-K50 WeakPolarHBondContact O-CB 3.42Å; V47-K50 PolarHBondContact O-N 3.42Å; V47-K50 VanDerWaalsContact O-N 3.1Å; K50-V53 PolarHBondContact O-N 3.01Å; K50-L54 PolarHBondContact O-N 3.43Å
51	D	41.8	Very low	43.1	Very low	93 Å²	93	110.1 Å²	110.1	50%	0.497	56%	0.562	S	S	.	*	H	α-helix	trans	-66.2	-40.1	177.3	-61.7	-28.8	0	0	0	111.2	V47 V53 L54 D55	V47-D51 PolarHBondContact O-N 3.03Å; D51-V53 PolarHBondContact O-N 3.14Å; D51-L54 WeakPolarHBondContact O-CB 3.36Å; D51-L54 PolarHBondContact O-N 3.35Å; D51-D55 PolarHBondContact O-N 3.22Å
52	H	44	Very low	43.4	Very low	125 Å²	125	109 Å²	109	58%	0.579	55%	0.549	S	S	*	.	H	α-helix	trans	-66.7	-33.9	176.4	-161.5	59.5	0	0	0	113.4	S48 I56	S48-H52 PolarHBondContact O-N 2.98Å; H52-I56 WeakPolarHBondContact O-CD1 3.26Å; H52-I56 VanDerWaalsContact O-CG1 3.31Å; H52-I56 WeakPolarHBondContact O-CG1 3.45Å; H52-I56 PolarHBondContact O-N 3.1Å
53	V	46.4	Very low	43.5	Very low	81 Å²	81	107.5 Å²	107.5	49%	0.491	55%	0.552	S	S	.	*	H	α-helix	trans	-73.6	-32	174.6	173.1	0	0	0	0	111.3	R49 K50 D51 M57	R49-V53 VanDerWaalsContact O-CG2 3.26Å; R49-V53 WeakPolarHBondContact O-CG2 3.5Å; R49-V53 PolarHBondContact O-N 3.2Å; R49-V53 VanDerWaalsContact O-N 3.14Å; K50-V53 PolarHBondContact O-N 3.01Å; D51-V53 PolarHBondContact O-N 3.14Å; V53-M57 HydrophobicContact CG1-SD 4.5Å; V53-M57 WeakPolarHBondContact O-CB 3.46Å; V53-M57 WeakPolarHBondContact O-CG 3.48Å; V53-M57 PolarHBondContact O-N 3.35Å
54	L	45.3	Very low	43.7	Very low	93 Å²	93	108.2 Å²	108.2	49%	0.487	56%	0.556	S	S	.	*	H	α-helix	trans	-66.1	-41.6	174.3	-132.7	91.6	0	0	0	111.5	K50 D51 M57 L58	K50-L54 PolarHBondContact O-N 3.43Å; D51-L54 WeakPolarHBondContact O-CB 3.36Å; D51-L54 PolarHBondContact O-N 3.35Å; L54-M57 PolarHBondContact O-N 3.36Å; L54-L58 WeakPolarHBondContact O-CB 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.42Å; L54-L58 PolarHBondContact O-N 3.41Å
55	D	44.7	Very low	43.8	Very low	100 Å²	100	108.6 Å²	108.6	54%	0.535	55%	0.553	S	S	.	*	H	α-helix	trans	-64.9	-42.3	177.2	-80.9	-17.5	0	0	0	112.1	D51 M57 L58 E59	D51-D55 PolarHBondContact O-N 3.22Å; D55-M57 VanDerWaalsContact C-N 3.3Å; D55-M57 PolarHBondContact O-N 3.41Å; D55-L58 PolarHBondContact O-N 3.5Å; D55-E59 PolarHBondContact O-N 3.38Å
56	I	55.8	Low	44.1	Very low	91 Å²	91	112.5 Å²	112.5	47%	0.467	57%	0.568	S	S	.	*	H	α-helix	trans	-64.7	-36.4	175	-66.5	167.6	0	0	0	110.9	H52 A60	H52-I56 WeakPolarHBondContact O-CD1 3.26Å; H52-I56 VanDerWaalsContact O-CG1 3.31Å; H52-I56 WeakPolarHBondContact O-CG1 3.45Å; H52-I56 PolarHBondContact O-N 3.1Å; I56-A60 WeakPolarHBondContact O-CB 3.47Å; I56-A60 PolarHBondContact O-N 3.05Å
57	M	40.4	Very low	44.1	Very low	123 Å²	123	112.1 Å²	112.1	61%	0.606	57%	0.573	S	S	*	*	H	α-helix	trans	-69	-36.2	174.7	-79.6	-175.1	149.3	0	0	112.6	V53 L54 D55 A60 M61	V53-M57 HydrophobicContact CG1-SD 4.5Å; V53-M57 WeakPolarHBondContact O-CB 3.46Å; V53-M57 WeakPolarHBondContact O-CG 3.48Å; V53-M57 PolarHBondContact O-N 3.35Å; L54-M57 PolarHBondContact O-N 3.36Å; D55-M57 VanDerWaalsContact C-N 3.3Å; D55-M57 PolarHBondContact O-N 3.41Å; M57-A60 PolarHBondContact O-N 3.37Å; M57-M61 WeakPolarHBondContact O-CB 3.44Å; M57-M61 PolarHBondContact O-N 3.12Å
58	L	48.3	Very low	43.7	Very low	85 Å²	85	114.4 Å²	114.4	45%	0.445	58%	0.579	S	S	.	*	H	α-helix	trans	-68.6	-40.4	175	-80.5	157.9	0	0	0	111.8	L54 D55 M61 N62	L54-L58 WeakPolarHBondContact O-CB 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.42Å; L54-L58 PolarHBondContact O-N 3.41Å; D55-L58 PolarHBondContact O-N 3.5Å; L58-M61 PolarHBondContact O-N 3.49Å; L58-N62 WeakPolarHBondContact O-CB 3.44Å; L58-N62 PolarHBondContact O-N 3.39Å; L58-N62 PolarHBondContact O-ND2 3.19Å
59	E	44.6	Very low	43.1	Very low	134 Å²	134	116.5 Å²	116.5	63%	0.626	59%	0.591	S	S	*	*	H	α-helix	trans	-65	-41.3	172.2	-92.2	-173	150.8	0	0	112.4	D55 N62 N63	D55-E59 PolarHBondContact O-N 3.38Å; E59-N62 PolarHBondContact O-N 3.29Å; E59-N63 PolarHBondContact O-N 3.48Å; E59-N63 PolarHBondContact O-ND2 3.17Å
60	A	44.7	Very low	42.9	Very low	49 Å²	49	116.9 Å²	116.9	41%	0.405	60%	0.598	S	S	.	*	H	α-helix	trans	-66.6	-36.8	176.1	0	0	0	0	0	112.5	I56 M57 L64	I56-A60 WeakPolarHBondContact O-CB 3.47Å; I56-A60 PolarHBondContact O-N 3.05Å; M57-A60 PolarHBondContact O-N 3.37Å; A60-L64 PolarHBondContact O-N 3.43Å; A60-L64 VanDerWaalsContact O-N 3.11Å
61	M	43.4	Very low	42.3	Very low	132 Å²	132	118.1 Å²	118.1	65%	0.65	61%	0.61	S	S	*	*	H	α-helix	trans	-68.4	-36.6	174	-87	-177.9	62.5	0	0	112.7	M57 L58 L64 R65	M57-M61 WeakPolarHBondContact O-CB 3.44Å; M57-M61 PolarHBondContact O-N 3.12Å; L58-M61 PolarHBondContact O-N 3.49Å; M61-L64 PolarHBondContact O-N 3.34Å; M61-R65 PolarHBondContact O-N 3.06Å; M61-R65 VanDerWaalsContact O-N 3.17Å
62	N	45.3	Very low	41.9	Very low	97 Å²	97	121 Å²	121	52%	0.519	62%	0.621	S	S	.	*	H	α-helix	trans	-67.2	-39.2	175.9	-76.3	-24.5	0	0	0	111.7	L58 E59 L64 R65	L58-N62 WeakPolarHBondContact O-CB 3.44Å; L58-N62 PolarHBondContact O-N 3.39Å; L58-N62 PolarHBondContact O-ND2 3.19Å; E59-N62 PolarHBondContact O-N 3.29Å; N62-L64 PolarHBondContact O-N 3.49Å; N62-R65 PolarHBondContact O-N 3.3Å
63	N	41.5	Very low	41.5	Very low	118 Å²	118	123.1 Å²	123.1	63%	0.631	64%	0.635	S	S	*	*	H	α-helix	trans	-70.2	-28.3	175.3	-76.3	-37.5	0	0	0	113.8	E59 S67	E59-N63 PolarHBondContact O-N 3.48Å; E59-N63 PolarHBondContact O-ND2 3.17Å; N63-S67 PolarHBondContact O-OG 2.99Å
64	L	40.6	Very low	40.8	Very low	116 Å²	116	128.5 Å²	128.5	61%	0.607	65%	0.646	S	S	*	*	H	α-helix	trans	-76	-25.1	174.3	-83.5	160.3	0	0	0	113.1	A60 M61 N62 D66 S67	A60-L64 PolarHBondContact O-N 3.43Å; A60-L64 VanDerWaalsContact O-N 3.11Å; M61-L64 PolarHBondContact O-N 3.34Å; N62-L64 PolarHBondContact O-N 3.49Å; L64-D66 VanDerWaalsContact C-N 3.31Å; L64-D66 PolarHBondContact O-N 3.4Å; L64-S67 PolarHBondContact O-N 3.36Å; L64-S67 PolarHBondContact O-OG 3.43Å; L64-S67 VanDerWaalsContact O-OG 3.11Å
65	R	42.9	Very low	40.3	Very low	191 Å²	191	127.8 Å²	127.8	72%	0.721	65%	0.654	S	S	*	*	H	α-helix	trans	-68.3	-30.1	177.4	-169.7	176.4	176.8	177.6	-1.2	112.6	M61 N62 S67	M61-R65 PolarHBondContact O-N 3.06Å; M61-R65 VanDerWaalsContact O-N 3.17Å; N62-R65 PolarHBondContact O-N 3.3Å; R65-S67 VanDerWaalsContact C-N 3.31Å; R65-S67 PolarHBondContact O-N 3.29Å
66	D	43.5	Very low	39.8	Very low	147 Å²	147	129.2 Å²	129.2	79%	0.786	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-5.2	179.2	-76.4	-20.9	0	0	0	114.2	L64	L64-D66 VanDerWaalsContact C-N 3.31Å; L64-D66 PolarHBondContact O-N 3.4Å
67	S	37.7	Very low	38.8	Very low	80 Å²	80	132.4 Å²	132.4	56%	0.559	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	8.8	-176.7	44.7	0	0	0	0	115.1	N63 L64 R65	N63-S67 PolarHBondContact O-OG 2.99Å; L64-S67 PolarHBondContact O-N 3.36Å; L64-S67 PolarHBondContact O-OG 3.43Å; L64-S67 VanDerWaalsContact O-OG 3.11Å; R65-S67 VanDerWaalsContact C-N 3.31Å; R65-S67 PolarHBondContact O-N 3.29Å
68	M	34.1	Very low	38.6	Very low	139 Å²	139	131 Å²	131	69%	0.685	69%	0.689	S	S	*	*	S	Bend	trans	-95.3	129.4	175	-72	-166	-67.5	0	0	112.9	K70	M68-K70 PolarHBondContact O-N 3.35Å
69	P	31.7	Very low	37.7	Very low	119 Å²	119	135.2 Å²	135.2	77%	0.773	71%	0.707	S	S	*	*			trans	-69.2	127.8	177.5	26.9	-31.7	0	0	0	111.3	L71	P69-L71 PolarHBondContact O-N 2.91Å; P69-L71 VanDerWaalsContact O-N 3.12Å
70	K	37.6	Very low	37.2	Very low	195 Å²	195	134.3 Å²	134.3	85%	0.848	71%	0.712	S	S	*	*			trans	-70.5	100.6	177.9	-68.4	179.1	-179.6	175.7	0	110.8	M68 Q72	M68-K70 PolarHBondContact O-N 3.35Å; K70-Q72 PolarHBondContact O-N 2.88Å
71	L	33.4	Very low	36.5	Very low	172 Å²	172	137 Å²	137	90%	0.901	72%	0.724	S	S	*	*			trans	-79.8	96	162	-81.7	158.2	0	0	0	108.7	P69 I73	P69-L71 PolarHBondContact O-N 2.91Å; P69-L71 VanDerWaalsContact O-N 3.12Å; L71-I73 PolarHBondContact O-N 3.22Å
72	Q	33.4	Very low	35.9	Very low	155 Å²	155	139 Å²	139	72%	0.724	74%	0.737	S	S	*	*			trans	-81	107.9	171.9	-80.7	-179.4	-26.2	0	0	110.1	K70	K70-Q72 PolarHBondContact O-N 2.88Å
73	I	36.2	Very low	35.3	Very low	169 Å²	169	142.9 Å²	142.9	87%	0.867	75%	0.749	S	S	*	*			trans	-87.7	108.1	149.2	-65.1	165.1	0	0	0	105	L71 A75	L71-I73 PolarHBondContact O-N 3.22Å; I73-A75 PolarHBondContact O-N 3.23Å
74	R	32.6	Very low	35	Very low	194 Å²	194	141.9 Å²	141.9	73%	0.732	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-62.9	120.9	176.3	-76.6	-179.5	177.6	-176.9	-3	109
75	A	33.1	Very low	34.8	Very low	78 Å²	78	144.3 Å²	144.3	65%	0.645	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-59.5	148.5	157.8	0	0	0	0	0	108.8	I73 E77	I73-A75 PolarHBondContact O-N 3.23Å; A75-E77 PolarHBondContact O-N 3.03Å; A75-E77 VanDerWaalsContact O-N 3.09Å
76	P	35.8	Very low	34.8	Very low	129 Å²	129	142.1 Å²	142.1	84%	0.838	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-58.2	122	177.2	20.4	-25.5	0	0	0	108.6	A78	P76-A78 PolarHBondContact O-N 2.64Å; P76-A78 VanDerWaalsContact O-N 3.08Å
77	E	34.4	Very low	35.4	Very low	159 Å²	159	142.8 Å²	142.8	74%	0.743	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-54.1	116.7	171.1	-77.9	171.1	174.3	0	0	107.3	A75 Q79	A75-E77 PolarHBondContact O-N 3.03Å; A75-E77 VanDerWaalsContact O-N 3.09Å; E77-Q79 PolarHBondContact O-N 3.36Å
78	A	36.6	Very low	36.7	Very low	93 Å²	93	143 Å²	143	77%	0.769	77%	0.765	S	S	*	*			trans	-54.9	115.3	161.9	0	0	0	0	0	105.7	P76	P76-A78 PolarHBondContact O-N 2.64Å; P76-A78 VanDerWaalsContact O-N 3.08Å
79	Q	28.9	Very low	38.9	Very low	174 Å²	174	140.1 Å²	140.1	81%	0.813	76%	0.758	S	S	*	*			trans	-47.3	129.7	170.3	-73.7	179.4	-24.6	0	0	106.9	E77 T81	E77-Q79 PolarHBondContact O-N 3.36Å; Q79-T81 VanDerWaalsContact C-N 3.32Å; Q79-T81 PolarHBondContact O-N 3.07Å
80	P	33.1	Very low	41.7	Very low	115 Å²	115	138.8 Å²	138.8	75%	0.747	74%	0.744	S	S	*	*			trans	-58.8	109.4	168	24.7	-29.8	0	0	0	104.9	L82	P80-L82 PolarHBondContact O-N 3.27Å
81	T	31.7	Very low	44.4	Very low	106 Å²	106	134.8 Å²	134.8	65%	0.65	74%	0.738	S	S	*	*			trans	-49.1	119.5	155.8	38.3	0	0	0	0	104.1	Q79 F83	Q79-T81 VanDerWaalsContact C-N 3.32Å; Q79-T81 PolarHBondContact O-N 3.07Å; T81-F83 PolarHBondContact O-N 3.27Å
82	L	29.6	Very low	47.4	Very low	174 Å²	174	128.6 Å²	128.6	91%	0.911	72%	0.716	S	S	*	*			trans	-54.1	96.1	169.6	-96.3	107.1	0	0	0	105.8	P80 S84	P80-L82 PolarHBondContact O-N 3.27Å; L82-S84 VanDerWaalsContact C-N 3.33Å; L82-S84 PolarHBondContact O-N 3Å
83	F	33.3	Very low	50.4	Low	178 Å²	178	126 Å²	126	78%	0.781	70%	0.702	S	S	*	*			trans	-59.3	108.7	163.2	-88.1	-87.1	0	0	0	104.1	T81 I85	T81-F83 PolarHBondContact O-N 3.27Å; F83-I85 WeakPolarHBondContact O-CG1 3.3Å; F83-I85 PolarHBondContact O-N 2.92Å
84	S	34.1	Very low	53.3	Low	96 Å²	96	119.4 Å²	119.4	67%	0.671	67%	0.667	S	S	*	*			trans	-48.4	106.3	165.7	151.9	0	0	0	0	107.8	L82 N86	L82-S84 VanDerWaalsContact C-N 3.33Å; L82-S84 PolarHBondContact O-N 3Å; S84-N86 PolarHBondContact O-N 3.24Å
85	I	37.4	Very low	56.4	Low	167 Å²	167	113 Å²	113	86%	0.856	65%	0.649	S	S	*	*	S	Bend	trans	-72.9	52.9	173	-56.4	170.5	0	0	0	108.7	F83	F83-I85 WeakPolarHBondContact O-CG1 3.3Å; F83-I85 PolarHBondContact O-N 2.92Å
86	N	43.4	Very low	59.4	Low	146 Å²	146	114.2 Å²	114.2	78%	0.781	65%	0.651	S	S	*	*			trans	-147.2	41.3	178.2	-99.5	-13.4	0	0	0	110.8	S84 S88	S84-N86 PolarHBondContact O-N 3.24Å; N86-S88 PolarHBondContact O-N 2.99Å
87	Q	55.4	Low	62.2	Low	160 Å²	160	111.2 Å²	111.2	75%	0.748	64%	0.637	S	S	*	*			trans	-77.2	111.1	157.1	-109.5	176.8	-12.5	0	0	107.7	C89	Q87-C89 VanDerWaalsContact C-N 3.29Å; Q87-C89 PolarHBondContact O-N 3.45Å
88	S	64.6	Low	65.2	Low	84 Å²	84	106.7 Å²	106.7	59%	0.587	62%	0.615	S	S	*	*			trans	-57.6	79.8	179.5	55	0	0	0	0	112.3	N86 L90	N86-S88 PolarHBondContact O-N 2.99Å; S88-L90 PolarHBondContact O-N 3.48Å
89	C	81.2	Confident	68	Low	80 Å²	80	103.7 Å²	103.7	54%	0.541	59%	0.586	S	S	.	*			trans	-72.9	82.8	166.6	171.6	0	0	0	0	107.7	Q87 C173	Q87-C89 VanDerWaalsContact C-N 3.29Å; Q87-C89 PolarHBondContact O-N 3.45Å; C89-C173 HydrophobicContact CB-CB 4.05Å; C89-C173 WeakPolarHBondContact CB-SG 3.47Å; C89-C173 WeakPolarHBondContact SG-CB 3.46Å; C89-C173 CovalentContact SG-SG 2.02Å; C89-C173 PolarHBondContact SG-SG 3.18Å
90	L	90.9	Very high	71.3	Confident	91 Å²	91	100.9 Å²	100.9	48%	0.476	57%	0.571	S	S	.	*			trans	-71.9	141	176.6	-63.9	175.9	0	0	0	109.3	S88 R172	S88-L90 PolarHBondContact O-N 3.48Å; L90-R172 HydrophobicContact CB-CB 4Å; L90-R172 VanDerWaalsContact O-CB 3.22Å; L90-R172 WeakPolarHBondContact O-CB 3.35Å
91	P	93.5	Very high	74.3	Confident	111 Å²	111	97.5 Å²	97.5	72%	0.721	55%	0.549	S	S	*	.			trans	-73.5	165.1	175.8	30.6	-34.6	0	0	0	112	R172	P91-R172 PolarHBondContact O-NH1 3.22Å
92	G	95.6	Very high	77.2	Confident	42 Å²	42	95 Å²	95	43%	0.433	53%	0.53	S	S	.	.	S	Bend	trans	77.2	-157.3	173.5	0	0	0	0	0	114.5	R172	G92-R172 PolarHBondContact O-N 2.77Å
93	F	97.7	Very high	80.2	Confident	101 Å²	101	90.5 Å²	90.5	44%	0.443	50%	0.501	S	S	.	.	B	Isolated β-bridge	trans	-120.3	145.1	-172.5	-59.3	-91.7	0	0	0	111.6	T95 K169 F170 R171 R172	F93-T95 PolarHBondContact O-N 3.18Å; F93-K169 HydrophobicContact CB-CB 4.05Å; F93-K169 HydrophobicContact CD1-CB 3.45Å; F93-K169 VanDerWaalsContact CD1-CB 3.45Å; F93-K169 HydrophobicContact CE1-CB 4.02Å; F93-K169 HydrophobicContact CG-CB 3.83Å; F93-F170 CarbonylContact C-O 3.53Å; F93-F170 WeakPolarHBondContact CA-O 3.26Å; F93-F170 WeakPolarHBondContact CB-O 3.49Å; F93-R171 HydrophobicContact CD1-CG 3.99Å; F93-R171 HydrophobicContact CE1-CG 3.58Å; F93-R171 HydrophobicContact CZ-CG 4.28Å; F93-R172 PolarHBondContact O-NH1 3.21Å; F93-R172 PolarHBondContact O-NH2 2.74Å
94	Y	97.6	Very high	83.2	Confident	30 Å²	30	89.3 Å²	89.3	12%	0.118	50%	0.497	C	S	.	.			trans	-54.8	135.8	172.2	-69	-87.1	0	0	0	110.8	E98 L99 F170 R171 R172 L176 I207	Y94-E98 HydrophobicContact CD1-CB 4.28Å; Y94-L99 HydrophobicContact CD1-CD2 4.37Å; Y94-L99 HydrophobicContact CG-CD2 4.25Å; Y94-F170 HydrophobicContact CD2-CB 4.17Å; Y94-F170 WeakPolarHBondContact CD2-O 3.36Å; Y94-F170 PolarHBondContact N-O 3.44Å; Y94-R171 VanDerWaalsContact CE2-O 3.32Å; Y94-R171 WeakPolarHBondContact CE2-O 3.38Å; Y94-R172 HydrophobicContact CD1-CG 4.16Å; Y94-R172 HydrophobicContact CD2-CG 3.9Å; Y94-R172 HydrophobicContact CE1-CG 4.17Å; Y94-R172 HydrophobicContact CE2-CB 4.26Å; Y94-R172 HydrophobicContact CE2-CG 3.89Å; Y94-R172 HydrophobicContact CG-CG 4.04Å; Y94-L176 HydrophobicContact CD2-CD1 4.15Å; Y94-L176 HydrophobicContact CD2-CG 4.33Å; Y94-L176 HydrophobicContact CE2-CB 4.21Å; Y94-L176 HydrophobicContact CE2-CD1 3.99Å; Y94-L176 HydrophobicContact CE2-CG 3.72Å; Y94-L176 PolarHBondContact OH-N 3.19Å; Y94-I207 HydrophobicContact CD1-CD1 3.89Å; Y94-I207 HydrophobicContact CE1-CD1 3.74Å
95	T	97.3	Very high	86.1	Confident	58 Å²	58	87.7 Å²	87.7	36%	0.356	48%	0.477	S	S	.	.			trans	-82.8	157.6	174.9	63.5	0	0	0	0	110.6	F93 A97 E98 L99	F93-T95 PolarHBondContact O-N 3.18Å; T95-A97 PolarHBondContact O-N 2.76Å; T95-A97 VanDerWaalsContact O-N 3.15Å; T95-E98 VanDerWaalsContact CB-OE2 3.32Å; T95-E98 WeakPolarHBondContact CB-OE2 3.4Å; T95-E98 WeakPolarHBondContact CG2-OE2 2.78Å; T95-E98 PolarHBondContact N-OE2 3.46Å; T95-E98 PolarHBondContact O-N 2.88Å; T95-E98 VanDerWaalsContact O-N 3.09Å; T95-E98 WeakPolarHBondContact OG1-CG 3.43Å; T95-E98 PolarHBondContact OG1-N 3.27Å; T95-E98 PolarHBondContact OG1-OE2 2.95Å; T95-L99 PolarHBondContact O-N 3.09Å; T95-L99 VanDerWaalsContact O-N 3.08Å
96	P	94.8	Very high	88.9	Confident	105 Å²	105	82.1 Å²	82.1	68%	0.682	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.7	172.1	-26.1	35.4	0	0	0	113.7	L99 K100	P96-L99 CarbonylContact O-C 3.32Å; P96-L99 PolarHBondContact O-N 3.44Å; P96-K100 PolarHBondContact O-N 3.33Å
97	A	95.7	Very high	91.3	Very high	66 Å²	66	81.5 Å²	81.5	55%	0.545	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-37.1	176.9	0	0	0	0	0	112.5	T95 L99 K100	T95-A97 PolarHBondContact O-N 2.76Å; T95-A97 VanDerWaalsContact O-N 3.15Å; A97-L99 VanDerWaalsContact C-N 3.35Å; A97-K100 WeakPolarHBondContact O-CG 3.18Å
98	E	96.3	Very high	93.2	Very high	63 Å²	63	76.4 Å²	76.4	29%	0.294	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-33.2	173.1	-73.9	159.8	110.2	0	0	111.7	Y94 T95 K100 R172 I207	Y94-E98 HydrophobicContact CD1-CB 4.28Å; T95-E98 VanDerWaalsContact CB-OE2 3.32Å; T95-E98 WeakPolarHBondContact CB-OE2 3.4Å; T95-E98 WeakPolarHBondContact CG2-OE2 2.78Å; T95-E98 PolarHBondContact N-OE2 3.46Å; T95-E98 PolarHBondContact O-N 2.88Å; T95-E98 VanDerWaalsContact O-N 3.09Å; T95-E98 WeakPolarHBondContact OG1-CG 3.43Å; T95-E98 PolarHBondContact OG1-N 3.27Å; T95-E98 PolarHBondContact OG1-OE2 2.95Å; E98-K100 VanDerWaalsContact C-N 3.29Å; E98-K100 PolarHBondContact O-N 3.33Å; E98-R172 IonicContact OE1-CZ 2.93Å; E98-R172 IonicContact OE1-NE 3.02Å; E98-R172 PolarHBondContact OE1-NE 3.15Å; E98-R172 IonicContact OE1-NH2 3.61Å; E98-R172 PolarHBondContact OE1-NH2 3.26Å; E98-R172 IonicContact OE2-CZ 2.76Å; E98-R172 IonicContact OE2-NE 3.36Å; E98-R172 IonicContact OE2-NH2 3.49Å; E98-R172 PolarHBondContact OE2-NH2 3.25Å; E98-I207 HydrophobicContact CB-CD1 4.33Å; E98-I207 WeakPolarHBondContact O-CD1 3.14Å
99	L	96.9	Very high	94.6	Very high	30 Å²	30	76.8 Å²	76.8	16%	0.157	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	21.6	179.7	-61.7	178	0	0	0	113.8	Y94 T95 P96 A97 F170 P205 I207 L208 E280	Y94-L99 HydrophobicContact CD1-CD2 4.37Å; Y94-L99 HydrophobicContact CG-CD2 4.25Å; T95-L99 PolarHBondContact O-N 3.09Å; T95-L99 VanDerWaalsContact O-N 3.08Å; P96-L99 CarbonylContact O-C 3.32Å; P96-L99 PolarHBondContact O-N 3.44Å; A97-L99 VanDerWaalsContact C-N 3.35Å; L99-F170 HydrophobicContact CD1-CD2 4.13Å; L99-P205 HydrophobicContact CB-CB 4.43Å; L99-P205 HydrophobicContact CB-CG 4.2Å; L99-P205 HydrophobicContact CD2-CB 4.12Å; L99-P205 HydrophobicContact CD2-CG 4.09Å; L99-I207 HydrophobicContact CD2-CD1 4.25Å; L99-L208 HydrophobicContact CD2-CD1 4.33Å; L99-E280 HydrophobicContact CD1-CG 4.5Å; L99-E280 HydrophobicContact CD2-CG 4.45Å
100	K	96.6	Very high	95.3	Very high	115 Å²	115	76.7 Å²	76.7	50%	0.5	43%	0.425	S	S	.	.			trans	-62.4	140.3	173.8	-77.3	-178.1	177.8	-164.3	0	110.8	P96 A97 E98 P205 A206	P96-K100 PolarHBondContact O-N 3.33Å; A97-K100 WeakPolarHBondContact O-CG 3.18Å; E98-K100 VanDerWaalsContact C-N 3.29Å; E98-K100 PolarHBondContact O-N 3.33Å; K100-P205 CarbonylContact O-C 3.57Å; K100-P205 VanDerWaalsContact O-CA 3.28Å; K100-P205 WeakPolarHBondContact O-CA 3.45Å; K100-A206 PolarHBondContact O-N 3.09Å
101	P	96.3	Very high	95.5	Very high	44 Å²	44	79.1 Å²	79.1	29%	0.286	44%	0.439	S	S	.	.	B	Isolated β-bridge	trans	-62.7	159.5	-179.8	28.5	-35.5	0	0	0	111.2	W103 H202 T204	P101-W103 VanDerWaalsContact C-N 3.31Å; P101-W103 PolarHBondContact O-N 2.9Å; P101-H202 VanDerWaalsContact CB-O 3.29Å; P101-H202 WeakPolarHBondContact CB-O 2.82Å; P101-T204 CarbonylContact C-O 3.49Å; P101-T204 VanDerWaalsContact CA-O 3.24Å; P101-T204 WeakPolarHBondContact CA-O 3.43Å
102	F	92.3	Very high	95.6	Very high	55 Å²	55	75.4 Å²	75.4	24%	0.241	42%	0.418	C	S	.	.	S	Bend	trans	-55.9	-48.5	176.4	-169.6	-100.6	0	0	0	110.9	L201 T204 A206 L209 V237	F102-L201 HydrophobicContact CD1-CD2 3.66Å; F102-L201 HydrophobicContact CE1-CD2 4.22Å; F102-L201 HydrophobicContact CG-CD2 4.47Å; F102-L201 PolarHBondContact N-O 3.18Å; F102-T204 PolarHBondContact N-O 3.14Å; F102-A206 HydrophobicContact CB-CB 4.43Å; F102-A206 HydrophobicContact CD2-CB 4.1Å; F102-L209 HydrophobicContact CB-CD2 4.19Å; F102-L209 HydrophobicContact CG-CD2 4.29Å; F102-V237 HydrophobicContact CD1-CG2 4.05Å; F102-V237 HydrophobicContact CE1-CB 4.42Å; F102-V237 HydrophobicContact CE1-CG1 3.97Å; F102-V237 HydrophobicContact CE1-CG2 3.58Å; F102-V237 HydrophobicContact CE2-CG1 3.65Å; F102-V237 HydrophobicContact CE2-CG2 4.46Å; F102-V237 HydrophobicContact CZ-CB 4.21Å; F102-V237 HydrophobicContact CZ-CG1 3.3Å; F102-V237 HydrophobicContact CZ-CG2 3.85Å
103	W	94.2	Very high	95.7	Very high	78 Å²	78	76.5 Å²	76.5	30%	0.295	42%	0.417	S	S	.	.	S	Bend	trans	-121	131.6	174.9	-77.5	20.7	0	0	0	111.8	P101 R105 Y198 L201 H202 L235	P101-W103 VanDerWaalsContact C-N 3.31Å; P101-W103 PolarHBondContact O-N 2.9Å; W103-R105 PolarHBondContact O-N 2.98Å; W103-Y198 HydrophobicContact CE3-CE1 4.33Å; W103-Y198 HydrophobicContact CZ3-CE1 4.02Å; W103-L201 HydrophobicContact CB-CB 4.45Å; W103-L201 PolarHBondContact N-O 2.77Å; W103-H202 WeakPolarHBondContact O-CA 3.41Å; W103-H202 PolarHBondContact O-ND1 3.3Å; W103-H202 VanDerWaalsContact O-ND1 3.11Å; W103-L235 HydrophobicContact CH2-CD2 3.43Å; W103-L235 VanDerWaalsContact CH2-CD2 3.43Å; W103-L235 HydrophobicContact CZ2-CD2 4.08Å; W103-L235 HydrophobicContact CZ3-CD2 3.84Å
104	E	94.8	Very high	95.7	Very high	153 Å²	153	72 Å²	72	72%	0.715	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-66.9	130.2	168.6	-68	-172.2	174.5	0	0	110
105	R	95.6	Very high	95.7	Very high	63 Å²	63	70.9 Å²	70.9	24%	0.238	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-69.6	129.4	177.7	-177.9	179.6	-76.3	144	-2.3	109	W103 Q153 R154 H202	W103-R105 PolarHBondContact O-N 2.98Å; R105-Q153 VanDerWaalsContact CD-O 3.26Å; R105-Q153 WeakPolarHBondContact CD-O 3.25Å; R105-Q153 PolarHBondContact NE-O 2.93Å; R105-R154 PolarHBondContact NE-O 3Å; R105-R154 PolarHBondContact NH2-O 3.31Å; R105-H202 HydrophobicContact CB-CB 4.34Å
106	P	95.6	Very high	95.7	Very high	49 Å²	49	69.8 Å²	69.8	32%	0.318	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-64.7	155.1	176.2	25.4	-32.2	0	0	0	111.1	Q108 Q153	P106-Q108 PolarHBondContact O-N 3.42Å; P106-Q108 PolarHBondContact O-NE2 2.9Å; P106-Q153 HydrophobicContact CG-CB 4.47Å
107	P	94.8	Very high	95.8	Very high	133 Å²	133	64.9 Å²	64.9	86%	0.864	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-51.7	130.5	173.2	-25.4	34.4	0	0	0	111.2
108	Q	94.2	Very high	95.9	Very high	54 Å²	54	67.2 Å²	67.2	25%	0.252	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-101.8	143.5	178.8	-59.3	-60	-69.8	0	0	109.8	P106 P110 S151 Q153	P106-Q108 PolarHBondContact O-N 3.42Å; P106-Q108 PolarHBondContact O-NE2 2.9Å; Q108-P110 WeakPolarHBondContact O-CD 3.39Å; Q108-S151 PolarHBondContact OE1-OG 3.17Å; Q108-S151 VanDerWaalsContact OE1-OG 3.11Å; Q108-Q153 PolarHBondContact OE1-O 3.08Å
109	D	95.6	Very high	96	Very high	91 Å²	91	65.2 Å²	65.2	49%	0.487	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-73.7	118.2	169.4	173	9.8	0	0	0	109.3	N111 A112 A115	D109-N111 PolarHBondContact O-N 2.97Å; D109-N111 VanDerWaalsContact O-N 3.17Å; D109-N111 WeakPolarHBondContact OD1-CB 3.5Å; D109-N111 PolarHBondContact OD1-N 2.81Å; D109-A112 HydrophobicContact CB-CB 4.02Å; D109-A112 VanDerWaalsContact O-CB 3.29Å; D109-A112 WeakPolarHBondContact O-CB 3.4Å; D109-A112 PolarHBondContact O-N 3.1Å; D109-A115 WeakPolarHBondContact O-CB 3.44Å
110	P	94.8	Very high	96	Very high	79 Å²	79	65 Å²	65	51%	0.513	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-15.6	-178.8	28.6	-36.4	0	0	0	113.6	Q108	Q108-P110 WeakPolarHBondContact O-CD 3.39Å
111	N	95.1	Very high	95.7	Very high	142 Å²	142	67.9 Å²	67.9	76%	0.759	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-4.4	176.7	-58.1	-47	0	0	0	112.9	D109	D109-N111 PolarHBondContact O-N 2.97Å; D109-N111 VanDerWaalsContact O-N 3.17Å; D109-N111 WeakPolarHBondContact OD1-CB 3.5Å; D109-N111 PolarHBondContact OD1-N 2.81Å
112	A	96.8	Very high	95.5	Very high	33 Å²	33	68.8 Å²	68.8	27%	0.273	36%	0.361	S	S	.	.	S	Bend	trans	-64	152.4	177.4	0	0	0	0	0	111.4	D109 G114 A115	D109-A112 HydrophobicContact CB-CB 4.02Å; D109-A112 VanDerWaalsContact O-CB 3.29Å; D109-A112 WeakPolarHBondContact O-CB 3.4Å; D109-A112 PolarHBondContact O-N 3.1Å; A112-G114 PolarHBondContact O-N 2.88Å; A112-A115 HydrophobicContact CB-CB 4.48Å; A112-A115 VanDerWaalsContact O-CB 3.23Å; A112-A115 WeakPolarHBondContact O-CB 3.48Å; A112-A115 PolarHBondContact O-N 2.96Å; A112-A115 VanDerWaalsContact O-N 3.08Å
113	P	97.5	Very high	95.2	Very high	65 Å²	65	71.8 Å²	71.8	42%	0.422	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	127.6	179.9	-21.4	31.5	0	0	0	112.1	A115 F120	P113-A115 PolarHBondContact O-N 2.88Å; P113-F120 HydrophobicContact CB-CD2 3.61Å; P113-F120 HydrophobicContact CB-CE2 3.67Å; P113-F120 HydrophobicContact CG-CE2 4.42Å
114	G	97.3	Very high	95.1	Very high	5 Å²	5	76.4 Å²	76.4	5%	0.052	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	14.3	180	0	0	0	0	0	115.3	A112 G117 K118 R154	A112-G114 PolarHBondContact O-N 2.88Å; G114-G117 PolarHBondContact O-N 3.3Å; G114-K118 WeakPolarHBondContact CA-O 3.34Å; G114-R154 WeakPolarHBondContact O-CD 3.49Å; G114-R154 PolarHBondContact O-NH1 2.65Å
115	A	97.3	Very high	95	Very high	7 Å²	7	73 Å²	73	6%	0.058	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-54.8	143.7	176	0	0	0	0	0	111.6	D109 A112 P113 G117 K118	D109-A115 WeakPolarHBondContact O-CB 3.44Å; A112-A115 HydrophobicContact CB-CB 4.48Å; A112-A115 VanDerWaalsContact O-CB 3.23Å; A112-A115 WeakPolarHBondContact O-CB 3.48Å; A112-A115 PolarHBondContact O-N 2.96Å; A112-A115 VanDerWaalsContact O-N 3.08Å; P113-A115 PolarHBondContact O-N 2.88Å; A115-G117 PolarHBondContact O-N 3.08Å; A115-G117 VanDerWaalsContact O-N 3.16Å; A115-K118 WeakPolarHBondContact O-CB 3.5Å; A115-K118 VanDerWaalsContact O-CG 3.3Å; A115-K118 WeakPolarHBondContact O-CG 3.34Å; A115-K118 PolarHBondContact O-N 3.29Å; A115-K118 VanDerWaalsContact O-N 3.1Å
116	D	96.9	Very high	95	Very high	36 Å²	36	73.3 Å²	73.3	19%	0.193	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	55.5	26.6	-176.9	-64.2	-36.1	0	0	0	115.1	K118 S155 L156 G157 K310	D116-K118 PolarHBondContact O-N 2.75Å; D116-S155 CarbonylContact C-O 3.58Å; D116-S155 WeakPolarHBondContact CA-O 3.44Å; D116-S155 PolarHBondContact N-O 3.41Å; D116-S155 WeakPolarHBondContact OD1-CB 3.48Å; D116-S155 PolarHBondContact OD1-OG 3.47Å; D116-L156 CarbonylContact O-C 3.42Å; D116-G157 VanDerWaalsContact OD1-CA 3.26Å; D116-G157 WeakPolarHBondContact OD1-CA 3.4Å; D116-G157 PolarHBondContact OD1-N 3.42Å; D116-K310 WeakPolarHBondContact O-CE 3.4Å; D116-K310 PolarHBondContact O-NZ 2.89Å
117	G	97.5	Very high	95	Very high	1 Å²	1	76.5 Å²	76.5	1%	0.01	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	73.4	12.4	-178.7	0	0	0	0	0	114.3	G114 A115 S155 E307 F308	G114-G117 PolarHBondContact O-N 3.3Å; A115-G117 PolarHBondContact O-N 3.08Å; A115-G117 VanDerWaalsContact O-N 3.16Å; G117-S155 PolarHBondContact N-O 3.08Å; G117-E307 WeakPolarHBondContact O-CA 3.24Å; G117-F308 PolarHBondContact O-N 3.34Å
118	K	97.9	Very high	95.1	Very high	115 Å²	115	76.2 Å²	76.2	50%	0.5	41%	0.411	S	S	.	.			trans	-68.9	158	176.7	-64.7	170.1	-172.4	164.7	0	111	G114 A115 D116 F120	G114-K118 WeakPolarHBondContact CA-O 3.34Å; A115-K118 WeakPolarHBondContact O-CB 3.5Å; A115-K118 VanDerWaalsContact O-CG 3.3Å; A115-K118 WeakPolarHBondContact O-CG 3.34Å; A115-K118 PolarHBondContact O-N 3.29Å; A115-K118 VanDerWaalsContact O-N 3.1Å; D116-K118 PolarHBondContact O-N 2.75Å; K118-F120 PolarHBondContact O-N 2.92Å
119	A	97.8	Very high	95.1	Very high	22 Å²	22	75.6 Å²	75.6	18%	0.182	41%	0.409	C	S	.	.			trans	-57.5	134.2	172.4	0	0	0	0	0	111.9	Q121 T305 E307	A119-Q121 PolarHBondContact O-N 3.47Å; A119-T305 HydrophobicContact CB-CG2 4.44Å; A119-E307 HydrophobicContact CB-CB 3.99Å; A119-E307 HydrophobicContact CB-CG 4.39Å
120	F	97.1	Very high	95.1	Very high	24 Å²	24	74 Å²	74	11%	0.105	40%	0.402	C	S	.	.			trans	-66.9	114.6	165.2	179	-95.4	0	0	0	109.5	P113 K118 K122 W125 F145 A146 R149 I150 T305	P113-F120 HydrophobicContact CB-CD2 3.61Å; P113-F120 HydrophobicContact CB-CE2 3.67Å; P113-F120 HydrophobicContact CG-CE2 4.42Å; K118-F120 PolarHBondContact O-N 2.92Å; F120-K122 HydrophobicContact CE1-CB 3.8Å; F120-K122 HydrophobicContact CE1-CD 4.32Å; F120-K122 HydrophobicContact CZ-CB 4.32Å; F120-K122 HydrophobicContact CZ-CD 4.42Å; F120-W125 HydrophobicContact CE1-CH2 4.37Å; F120-F145 HydrophobicContact CE1-CD1 4.41Å; F120-F145 HydrophobicContact CE1-CE1 4.31Å; F120-F145 HydrophobicContact CZ-CD1 4.49Å; F120-F145 HydrophobicContact CZ-CE1 4.15Å; F120-A146 HydrophobicContact CB-CB 4.18Å; F120-A146 HydrophobicContact CD1-CB 3.67Å; F120-A146 HydrophobicContact CD2-CB 4.46Å; F120-A146 HydrophobicContact CE1-CB 4.15Å; F120-A146 HydrophobicContact CG-CB 3.86Å; F120-R149 HydrophobicContact CE2-CB 4.08Å; F120-I150 HydrophobicContact CB-CD1 4.21Å; F120-I150 HydrophobicContact CD2-CG1 4.25Å; F120-T305 WeakPolarHBondContact CB-O 3.35Å; F120-T305 PolarHBondContact N-O 2.84Å
121	Q	90.9	Very high	95.1	Very high	176 Å²	176	75.4 Å²	75.4	82%	0.822	40%	0.402	S	S	*	.			trans	-105.8	121.9	-178	-63.3	-176.2	12.7	0	0	110.6	A119	A119-Q121 PolarHBondContact O-N 3.47Å
122	K	91.3	Very high	95.2	Very high	64 Å²	64	71.9 Å²	71.9	28%	0.278	38%	0.381	S	S	.	.			trans	-143.7	114.1	170.4	-177.7	170.6	167.2	72.4	0	109.7	F120 K124 W125 E129 F145	F120-K122 HydrophobicContact CE1-CB 3.8Å; F120-K122 HydrophobicContact CE1-CD 4.32Å; F120-K122 HydrophobicContact CZ-CB 4.32Å; F120-K122 HydrophobicContact CZ-CD 4.42Å; K122-K124 WeakPolarHBondContact CE-O 3.41Å; K122-K124 WeakPolarHBondContact CG-O 3.41Å; K122-K124 PolarHBondContact NZ-O 2.91Å; K122-W125 HydrophobicContact CB-CH2 4.37Å; K122-W125 HydrophobicContact CB-CZ2 3.85Å; K122-W125 HydrophobicContact CD-CD2 4.11Å; K122-W125 HydrophobicContact CD-CE3 4Å; K122-W125 HydrophobicContact CD-CH2 3.84Å; K122-W125 HydrophobicContact CD-CZ2 3.95Å; K122-W125 HydrophobicContact CD-CZ3 3.87Å; K122-W125 HydrophobicContact CG-CD2 4.32Å; K122-W125 HydrophobicContact CG-CH2 4.42Å; K122-W125 HydrophobicContact CG-CZ2 4.02Å; K122-W125 PolarHBondContact O-NE1 3.47Å; K122-E129 VanDerWaalsContact CE-CD 3.42Å; K122-E129 VanDerWaalsContact CE-OE1 3.28Å; K122-E129 WeakPolarHBondContact CE-OE1 3.39Å; K122-E129 VanDerWaalsContact CE-OE2 3.26Å; K122-E129 WeakPolarHBondContact CE-OE2 3.38Å; K122-E129 IonicContact NZ-OE1 2.72Å; K122-E129 PolarHBondContact NZ-OE1 2.83Å; K122-E129 IonicContact NZ-OE2 2.92Å; K122-E129 PolarHBondContact NZ-OE2 3.46Å; K122-F145 HydrophobicContact CD-CE1 3.99Å; K122-F145 HydrophobicContact CD-CZ 4.37Å
123	S	86.1	Confident	95.1	Very high	117 Å²	117	72.6 Å²	72.6	82%	0.818	38%	0.378	S	S	*	.			trans	-90.8	-26.2	-175.2	55	0	0	0	0	113.7
124	K	91.4	Very high	95	Very high	175 Å²	175	74.5 Å²	74.5	76%	0.761	38%	0.381	S	S	*	.			trans	-121	129.7	-179.9	-63.8	-176.7	-178.1	-179.9	0	110.6	K122	K122-K124 WeakPolarHBondContact CE-O 3.41Å; K122-K124 WeakPolarHBondContact CG-O 3.41Å; K122-K124 PolarHBondContact NZ-O 2.91Å
125	W	93.6	Very high	94.9	Very high	83 Å²	83	79.4 Å²	79.4	31%	0.314	40%	0.403	S	S	.	.			trans	-118.3	127.7	-179.4	-61.7	85.5	0	0	0	109.2	F120 K122 E129 T130 K133 F145	F120-W125 HydrophobicContact CE1-CH2 4.37Å; K122-W125 HydrophobicContact CB-CH2 4.37Å; K122-W125 HydrophobicContact CB-CZ2 3.85Å; K122-W125 HydrophobicContact CD-CD2 4.11Å; K122-W125 HydrophobicContact CD-CE3 4Å; K122-W125 HydrophobicContact CD-CH2 3.84Å; K122-W125 HydrophobicContact CD-CZ2 3.95Å; K122-W125 HydrophobicContact CD-CZ3 3.87Å; K122-W125 HydrophobicContact CG-CD2 4.32Å; K122-W125 HydrophobicContact CG-CH2 4.42Å; K122-W125 HydrophobicContact CG-CZ2 4.02Å; K122-W125 PolarHBondContact O-NE1 3.47Å; W125-E129 HydrophobicContact CE3-CB 4.04Å; W125-T130 WeakPolarHBondContact CB-OG1 3.41Å; W125-K133 HydrophobicContact CE3-CD 4.34Å; W125-K133 HydrophobicContact CH2-CD 3.85Å; W125-K133 HydrophobicContact CZ2-CD 4.29Å; W125-K133 HydrophobicContact CZ3-CB 4.22Å; W125-K133 HydrophobicContact CZ3-CD 3.87Å; W125-F145 HydrophobicContact CE3-CE1 4.46Å; W125-F145 AromaticContact CH2-CD1 3.82Å; W125-F145 HydrophobicContact CH2-CD1 3.82Å; W125-F145 AromaticContact CH2-CE1 3.87Å; W125-F145 HydrophobicContact CH2-CE1 3.87Å; W125-F145 AromaticContact CZ3-CD1 3.58Å; W125-F145 HydrophobicContact CZ3-CD1 3.58Å; W125-F145 HydrophobicContact CZ3-CD2 4.45Å; W125-F145 AromaticContact CZ3-CE1 3.46Å; W125-F145 HydrophobicContact CZ3-CE1 3.46Å; W125-F145 VanDerWaalsContact CZ3-CE1 3.46Å; W125-F145 HydrophobicContact CZ3-CE2 4.35Å; W125-F145 HydrophobicContact CZ3-CG 4.12Å; W125-F145 AromaticContact CZ3-CZ 3.88Å; W125-F145 HydrophobicContact CZ3-CZ 3.88Å
126	T	96	Very high	94.7	Very high	69 Å²	69	79.5 Å²	79.5	42%	0.423	40%	0.404	S	S	.	.			trans	-74.5	161.3	165.8	63.6	0	0	0	0	109.9	L128 E129 T130	T126-L128 VanDerWaalsContact C-N 3.26Å; T126-L128 PolarHBondContact O-N 3.29Å; T126-E129 PolarHBondContact N-OE2 3.3Å; T126-E129 PolarHBondContact O-N 3.09Å; T126-E129 WeakPolarHBondContact OG1-CB 3.4Å; T126-E129 VanDerWaalsContact OG1-CD 3.32Å; T126-E129 WeakPolarHBondContact OG1-CG 3.47Å; T126-E129 PolarHBondContact OG1-N 3.47Å; T126-E129 PolarHBondContact OG1-OE2 3.12Å; T126-T130 PolarHBondContact O-N 2.72Å; T126-T130 PolarHBondContact O-OG1 3.41Å
127	P	95.6	Very high	94.6	Very high	116 Å²	116	80 Å²	80	75%	0.753	40%	0.403	S	S	*	.	H	α-helix	trans	-55.9	-40.9	175.8	-27.3	35.9	0	0	0	112.9	T130 Q131	P127-T130 PolarHBondContact O-N 3.16Å; P127-Q131 PolarHBondContact O-N 3.03Å
128	L	95.7	Very high	94.3	Very high	126 Å²	126	88.9 Å²	88.9	66%	0.66	44%	0.442	S	S	*	.	H	α-helix	trans	-66.3	-44.8	179.4	-174.5	66.4	0	0	0	112.3	T126 T130 Q131 E132	T126-L128 VanDerWaalsContact C-N 3.26Å; T126-L128 PolarHBondContact O-N 3.29Å; L128-T130 VanDerWaalsContact C-N 3.28Å; L128-T130 PolarHBondContact O-N 3.32Å; L128-Q131 WeakPolarHBondContact O-CB 3.36Å; L128-Q131 PolarHBondContact O-N 3.03Å; L128-E132 PolarHBondContact O-N 3.5Å
129	E	95.3	Very high	94.1	Very high	42 Å²	42	87.7 Å²	87.7	20%	0.196	44%	0.437	C	S	.	.	H	α-helix	trans	-65.8	-33.8	177.1	-68.3	170.1	132.7	0	0	112.1	K122 W125 T126 K133 F145	K122-E129 VanDerWaalsContact CE-CD 3.42Å; K122-E129 VanDerWaalsContact CE-OE1 3.28Å; K122-E129 WeakPolarHBondContact CE-OE1 3.39Å; K122-E129 VanDerWaalsContact CE-OE2 3.26Å; K122-E129 WeakPolarHBondContact CE-OE2 3.38Å; K122-E129 IonicContact NZ-OE1 2.72Å; K122-E129 PolarHBondContact NZ-OE1 2.83Å; K122-E129 IonicContact NZ-OE2 2.92Å; K122-E129 PolarHBondContact NZ-OE2 3.46Å; W125-E129 HydrophobicContact CE3-CB 4.04Å; T126-E129 PolarHBondContact N-OE2 3.3Å; T126-E129 PolarHBondContact O-N 3.09Å; T126-E129 WeakPolarHBondContact OG1-CB 3.4Å; T126-E129 VanDerWaalsContact OG1-CD 3.32Å; T126-E129 WeakPolarHBondContact OG1-CG 3.47Å; T126-E129 PolarHBondContact OG1-N 3.47Å; T126-E129 PolarHBondContact OG1-OE2 3.12Å; E129-K133 WeakPolarHBondContact O-CB 3.42Å; E129-K133 PolarHBondContact O-N 2.92Å; E129-F145 HydrophobicContact CB-CE2 3.66Å; E129-F145 HydrophobicContact CB-CZ 3.9Å; E129-F145 HydrophobicContact CG-CE2 3.76Å; E129-F145 HydrophobicContact CG-CZ 3.84Å
130	T	94.3	Very high	93.9	Very high	56 Å²	56	87.4 Å²	87.4	34%	0.344	43%	0.432	S	S	.	.	H	α-helix	trans	-64.7	-44.8	175.2	-54.5	0	0	0	0	109.8	W125 T126 P127 L128 K133 E134	W125-T130 WeakPolarHBondContact CB-OG1 3.41Å; T126-T130 PolarHBondContact O-N 2.72Å; T126-T130 PolarHBondContact O-OG1 3.41Å; P127-T130 PolarHBondContact O-N 3.16Å; L128-T130 VanDerWaalsContact C-N 3.28Å; L128-T130 PolarHBondContact O-N 3.32Å; T130-K133 PolarHBondContact O-N 3.37Å; T130-E134 WeakPolarHBondContact O-CG 3.25Å; T130-E134 PolarHBondContact O-N 3.31Å
131	Q	96.4	Very high	93.9	Very high	110 Å²	110	87.5 Å²	87.5	51%	0.514	44%	0.435	S	S	.	.	H	α-helix	trans	-60.6	-49.1	175.3	-177	179.4	2.2	0	0	112	P127 L128 K133 E134 E135	P127-Q131 PolarHBondContact O-N 3.03Å; L128-Q131 WeakPolarHBondContact O-CB 3.36Å; L128-Q131 PolarHBondContact O-N 3.03Å; Q131-K133 VanDerWaalsContact C-N 3.29Å; Q131-K133 PolarHBondContact O-N 2.95Å; Q131-E134 PolarHBondContact O-N 3.1Å; Q131-E135 HydrophobicContact CG-CG 4.41Å; Q131-E135 WeakPolarHBondContact CG-OE1 3.4Å; Q131-E135 PolarHBondContact NE2-OE1 3.25Å; Q131-E135 WeakPolarHBondContact O-CB 3.4Å; Q131-E135 WeakPolarHBondContact O-CG 3.34Å; Q131-E135 PolarHBondContact O-N 3.02Å
132	E	96.2	Very high	94.1	Very high	68 Å²	68	79.1 Å²	79.1	32%	0.318	40%	0.396	S	S	.	.	H	α-helix	trans	-57.3	-42.9	177.9	-174.1	-168.8	154.2	0	0	111.5	L128 G136 F145 R149	L128-E132 PolarHBondContact O-N 3.5Å; E132-G136 PolarHBondContact O-N 3Å; E132-F145 HydrophobicContact CB-CD2 3.97Å; E132-F145 HydrophobicContact CB-CE2 4.48Å; E132-F145 HydrophobicContact CG-CD2 3.82Å; E132-F145 WeakPolarHBondContact OE1-CD2 3.44Å; E132-F145 WeakPolarHBondContact OE2-CD2 3.43Å; E132-F145 WeakPolarHBondContact OE2-CE2 3.1Å; E132-R149 IonicContact OE1-CZ 3.66Å; E132-R149 IonicContact OE1-NH1 3.88Å; E132-R149 PolarHBondContact OE1-NH1 2.95Å; E132-R149 IonicContact OE1-NH2 3.77Å; E132-R149 PolarHBondContact OE1-NH2 3.1Å; E132-R149 VanDerWaalsContact OE1-NH2 3.13Å; E132-R149 IonicContact OE2-CZ 3.93Å; E132-R149 IonicContact OE2-NH1 3.41Å; E132-R149 IonicContact OE2-NH2 3.98Å; E132-R149 PolarHBondContact OE2-NH2 2.87Å
133	K	94.6	Very high	94.4	Very high	47 Å²	47	76.3 Å²	76.3	20%	0.204	38%	0.384	C	S	.	.	H	α-helix	trans	-60.2	-52.7	175.1	176.7	-173.1	172	-164.5	0	111.6	W125 E129 T130 Q131 E135 G136 Y137 F145	W125-K133 HydrophobicContact CE3-CD 4.34Å; W125-K133 HydrophobicContact CH2-CD 3.85Å; W125-K133 HydrophobicContact CZ2-CD 4.29Å; W125-K133 HydrophobicContact CZ3-CB 4.22Å; W125-K133 HydrophobicContact CZ3-CD 3.87Å; E129-K133 WeakPolarHBondContact O-CB 3.42Å; E129-K133 PolarHBondContact O-N 2.92Å; T130-K133 PolarHBondContact O-N 3.37Å; Q131-K133 VanDerWaalsContact C-N 3.29Å; Q131-K133 PolarHBondContact O-N 2.95Å; K133-E135 VanDerWaalsContact C-N 3.32Å; K133-E135 PolarHBondContact O-N 3.44Å; K133-G136 PolarHBondContact O-N 2.9Å; K133-G136 VanDerWaalsContact O-N 3.17Å; K133-Y137 HydrophobicContact CD-CE2 4.36Å; K133-Y137 HydrophobicContact CG-CD2 3.92Å; K133-Y137 HydrophobicContact CG-CE2 3.83Å; K133-Y137 WeakPolarHBondContact O-CD2 3.46Å; K133-Y137 PolarHBondContact O-N 2.87Å; K133-F145 HydrophobicContact CB-CB 4.07Å; K133-F145 HydrophobicContact CB-CG 4.39Å
134	E	95.3	Very high	94.9	Very high	105 Å²	105	71 Å²	71	49%	0.491	35%	0.347	S	S	.	.	H	α-helix	trans	-64.4	-36.6	-177.7	-67	-52	142.2	0	0	112.2	T130 Q131 Y137 K138	T130-E134 WeakPolarHBondContact O-CG 3.25Å; T130-E134 PolarHBondContact O-N 3.31Å; Q131-E134 PolarHBondContact O-N 3.1Å; E134-Y137 PolarHBondContact O-N 2.76Å; E134-K138 WeakPolarHBondContact O-CB 3.25Å; E134-K138 PolarHBondContact O-N 2.85Å
135	E	95.3	Very high	95.2	Very high	109 Å²	109	62.7 Å²	62.7	51%	0.509	31%	0.311	S	S	.	.	H	α-helix	trans	-62.8	-42.8	172.5	-73.5	175.6	-173.4	0	0	111.5	Q131 K133 K138 K139	Q131-E135 HydrophobicContact CG-CG 4.41Å; Q131-E135 WeakPolarHBondContact CG-OE1 3.4Å; Q131-E135 PolarHBondContact NE2-OE1 3.25Å; Q131-E135 WeakPolarHBondContact O-CB 3.4Å; Q131-E135 WeakPolarHBondContact O-CG 3.34Å; Q131-E135 PolarHBondContact O-N 3.02Å; K133-E135 VanDerWaalsContact C-N 3.32Å; K133-E135 PolarHBondContact O-N 3.44Å; E135-K138 PolarHBondContact O-N 3.08Å; E135-K139 WeakPolarHBondContact O-CB 3.5Å; E135-K139 PolarHBondContact O-N 2.89Å
136	G	94.1	Very high	95.4	Very high	9 Å²	9	58.8 Å²	58.8	9%	0.093	30%	0.296	C	S	.	.	H	α-helix	trans	-57.8	-47.2	172.6	0	0	0	0	0	112.9	E132 K133 K139 H140 F142	E132-G136 PolarHBondContact O-N 3Å; K133-G136 PolarHBondContact O-N 2.9Å; K133-G136 VanDerWaalsContact O-N 3.17Å; G136-K139 PolarHBondContact O-N 3.17Å; G136-H140 WeakPolarHBondContact O-CB 3.18Å; G136-H140 PolarHBondContact O-N 3.07Å; G136-F142 CarbonylContact C-O 3.56Å
137	Y	93.4	Very high	95.5	Very high	45 Å²	45	55.5 Å²	55.5	18%	0.176	28%	0.276	C	S	.	.	H	α-helix	trans	-63.8	-42.6	175.9	-89	-83.6	0	0	0	112.6	K133 E134 K139 C141 F142 N143 L303 N304	K133-Y137 HydrophobicContact CD-CE2 4.36Å; K133-Y137 HydrophobicContact CG-CD2 3.92Å; K133-Y137 HydrophobicContact CG-CE2 3.83Å; K133-Y137 WeakPolarHBondContact O-CD2 3.46Å; K133-Y137 PolarHBondContact O-N 2.87Å; E134-Y137 PolarHBondContact O-N 2.76Å; Y137-K139 PolarHBondContact O-N 3.19Å; Y137-C141 WeakPolarHBondContact O-CA 3.37Å; Y137-C141 PolarHBondContact O-N 2.04Å; Y137-F142 WeakPolarHBondContact CA-O 3.3Å; Y137-N143 HydrophobicContact CD2-CB 4.47Å; Y137-N143 HydrophobicContact CE2-CB 3.54Å; Y137-L303 HydrophobicContact CE1-CD1 4.18Å; Y137-N304 VanDerWaalsContact OH-CA 3.28Å; Y137-N304 WeakPolarHBondContact OH-CA 3.27Å; Y137-N304 VanDerWaalsContact OH-CB 3.28Å; Y137-N304 WeakPolarHBondContact OH-CB 3.22Å; Y137-N304 VanDerWaalsContact OH-CG 3.28Å; Y137-N304 PolarHBondContact OH-OD1 3Å
138	K	92.8	Very high	95.7	Very high	189 Å²	189	54.1 Å²	54.1	82%	0.822	26%	0.262	S	S	*	.	H	α-helix	trans	-60.7	-37.9	178.4	-175.6	179.7	177.4	-176.3	0	111.4	E134 E135	E134-K138 WeakPolarHBondContact O-CB 3.25Å; E134-K138 PolarHBondContact O-N 2.85Å; E135-K138 PolarHBondContact O-N 3.08Å
139	K	93.3	Very high	95.8	Very high	90 Å²	90	52.6 Å²	52.6	39%	0.391	25%	0.248	S	C	.	.	H	α-helix	trans	-83.1	-43.8	-177	-170.4	172.5	-178.6	172.2	0	113.4	E135 G136 Y137 E221	E135-K139 WeakPolarHBondContact O-CB 3.5Å; E135-K139 PolarHBondContact O-N 2.89Å; G136-K139 PolarHBondContact O-N 3.17Å; Y137-K139 PolarHBondContact O-N 3.19Å; K139-E221 VanDerWaalsContact CE-CD 3.41Å; K139-E221 WeakPolarHBondContact CE-OE1 3.35Å; K139-E221 IonicContact NZ-OE1 2.74Å; K139-E221 PolarHBondContact NZ-OE1 3.34Å; K139-E221 IonicContact NZ-OE2 3.67Å; K139-E221 PolarHBondContact NZ-OE2 3.08Å
140	H	94.4	Very high	95.9	Very high	16 Å²	16	50.9 Å²	50.9	7%	0.074	24%	0.24	C	C	.	.	H	α-helix	trans	-113.1	-8.6	-169	-59.9	-65	0	0	0	114	G136 F142 N187 R410	G136-H140 WeakPolarHBondContact O-CB 3.18Å; G136-H140 PolarHBondContact O-N 3.07Å; H140-F142 HydrophobicContact CB-CD1 3.93Å; H140-F142 HydrophobicContact CB-CD2 4.38Å; H140-F142 HydrophobicContact CB-CE1 3.61Å; H140-F142 HydrophobicContact CB-CE2 4.07Å; H140-F142 HydrophobicContact CB-CG 4.3Å; H140-F142 HydrophobicContact CB-CZ 3.67Å; H140-F142 WeakPolarHBondContact O-CD1 3.5Å; H140-F142 PolarHBondContact O-N 3.23Å; H140-N187 PolarHBondContact CE1-O 2.74Å; H140-R410 PolarHBondContact O-NH1 3.17Å
141	C	95.4	Very high	96.1	Very high	25 Å²	25	50.3 Å²	50.3	17%	0.169	24%	0.238	C	C	.	.	S	Bend	trans	59.7	24.5	-174.6	-58.5	0	0	0	0	114.2	Y137 R410 P414	Y137-C141 WeakPolarHBondContact O-CA 3.37Å; Y137-C141 PolarHBondContact O-N 2.04Å; C141-R410 HydrophobicContact CB-CB 4.41Å; C141-P414 HydrophobicContact CB-CB 4.46Å
142	F	96.6	Very high	96.2	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-150.6	170	169.8	62.4	-106.8	0	0	0	109.8	G136 Y137 H140 A144 A189 T192 L303 F306 V408	G136-F142 CarbonylContact C-O 3.56Å; Y137-F142 WeakPolarHBondContact CA-O 3.3Å; H140-F142 HydrophobicContact CB-CD1 3.93Å; H140-F142 HydrophobicContact CB-CD2 4.38Å; H140-F142 HydrophobicContact CB-CE1 3.61Å; H140-F142 HydrophobicContact CB-CE2 4.07Å; H140-F142 HydrophobicContact CB-CG 4.3Å; H140-F142 HydrophobicContact CB-CZ 3.67Å; H140-F142 WeakPolarHBondContact O-CD1 3.5Å; H140-F142 PolarHBondContact O-N 3.23Å; F142-A144 VanDerWaalsContact C-N 3.34Å; F142-A144 HydrophobicContact CD2-CB 4.49Å; F142-A144 HydrophobicContact CE2-CB 4.1Å; F142-A144 PolarHBondContact O-N 2.99Å; F142-A189 HydrophobicContact CE2-CB 4.29Å; F142-A189 HydrophobicContact CZ-CB 3.87Å; F142-T192 HydrophobicContact CE2-CG2 3.79Å; F142-T192 HydrophobicContact CZ-CG2 3.67Å; F142-L303 HydrophobicContact CB-CB 3.88Å; F142-F306 HydrophobicContact CD2-CE2 4.01Å; F142-F306 AromaticContact CD2-CZ 3.63Å; F142-F306 HydrophobicContact CD2-CZ 3.63Å; F142-F306 AromaticContact CE2-CZ 3.96Å; F142-F306 HydrophobicContact CE2-CZ 3.96Å; F142-F306 HydrophobicContact CG-CZ 4.4Å; F142-V408 HydrophobicContact CB-CG1 4.02Å; F142-V408 HydrophobicContact CD1-CG1 4.21Å; F142-V408 HydrophobicContact CG-CG1 4.2Å
143	N	96.8	Very high	96.3	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.027	22%	0.221	C	C	.	.			trans	-74	78.4	-179.4	-167.1	-8.5	0	0	0	112.8	Y137 F145 A146 S147 L303 N304 F306	Y137-N143 HydrophobicContact CD2-CB 4.47Å; Y137-N143 HydrophobicContact CE2-CB 3.54Å; N143-F145 PolarHBondContact O-N 2.81Å; N143-F145 WeakPolarHBondContact OD1-CB 3.33Å; N143-F145 PolarHBondContact OD1-N 3.42Å; N143-A146 HydrophobicContact CB-CB 4.14Å; N143-A146 PolarHBondContact O-N 2.93Å; N143-A146 PolarHBondContact OD1-N 3.42Å; N143-A146 VanDerWaalsContact OD1-N 3.15Å; N143-S147 PolarHBondContact O-N 3.09Å; N143-L303 WeakPolarHBondContact CB-O 3.38Å; N143-L303 PolarHBondContact N-O 3.37Å; N143-N304 WeakPolarHBondContact CB-O 3.44Å; N143-N304 PolarHBondContact ND2-O 2.86Å; N143-F306 HydrophobicContact CB-CE2 4.38Å; N143-F306 VanDerWaalsContact O-CE2 3.25Å; N143-F306 WeakPolarHBondContact O-CE2 3.28Å
144	A	97.1	Very high	96.4	Very high	5 Å²	5	44.5 Å²	44.5	4%	0.041	21%	0.212	C	C	.	.	H	α-helix	trans	-58.9	-34.8	177.5	0	0	0	0	0	112.4	F142 A146 S147 D148	F142-A144 VanDerWaalsContact C-N 3.34Å; F142-A144 HydrophobicContact CD2-CB 4.49Å; F142-A144 HydrophobicContact CE2-CB 4.1Å; F142-A144 PolarHBondContact O-N 2.99Å; A144-A146 VanDerWaalsContact C-N 3.3Å; A144-A146 PolarHBondContact O-N 3.1Å; A144-S147 CarbonylContact O-C 3.57Å; A144-S147 WeakPolarHBondContact O-CB 3.02Å; A144-S147 PolarHBondContact O-N 3.12Å; A144-S147 VanDerWaalsContact O-N 3.08Å; A144-D148 VanDerWaalsContact O-CG 3.22Å; A144-D148 PolarHBondContact O-N 2.87Å
145	F	97.6	Very high	96.5	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.009	20%	0.195	C	C	.	.	H	α-helix	trans	-54.3	-44.8	175	176.9	-77	0	0	0	112.6	F120 K122 W125 E129 E132 K133 N143 R149	F120-F145 HydrophobicContact CE1-CD1 4.41Å; F120-F145 HydrophobicContact CE1-CE1 4.31Å; F120-F145 HydrophobicContact CZ-CD1 4.49Å; F120-F145 HydrophobicContact CZ-CE1 4.15Å; K122-F145 HydrophobicContact CD-CE1 3.99Å; K122-F145 HydrophobicContact CD-CZ 4.37Å; W125-F145 HydrophobicContact CE3-CE1 4.46Å; W125-F145 AromaticContact CH2-CD1 3.82Å; W125-F145 HydrophobicContact CH2-CD1 3.82Å; W125-F145 AromaticContact CH2-CE1 3.87Å; W125-F145 HydrophobicContact CH2-CE1 3.87Å; W125-F145 AromaticContact CZ3-CD1 3.58Å; W125-F145 HydrophobicContact CZ3-CD1 3.58Å; W125-F145 HydrophobicContact CZ3-CD2 4.45Å; W125-F145 AromaticContact CZ3-CE1 3.46Å; W125-F145 HydrophobicContact CZ3-CE1 3.46Å; W125-F145 VanDerWaalsContact CZ3-CE1 3.46Å; W125-F145 HydrophobicContact CZ3-CE2 4.35Å; W125-F145 HydrophobicContact CZ3-CG 4.12Å; W125-F145 AromaticContact CZ3-CZ 3.88Å; W125-F145 HydrophobicContact CZ3-CZ 3.88Å; E129-F145 HydrophobicContact CB-CE2 3.66Å; E129-F145 HydrophobicContact CB-CZ 3.9Å; E129-F145 HydrophobicContact CG-CE2 3.76Å; E129-F145 HydrophobicContact CG-CZ 3.84Å; E132-F145 HydrophobicContact CB-CD2 3.97Å; E132-F145 HydrophobicContact CB-CE2 4.48Å; E132-F145 HydrophobicContact CG-CD2 3.82Å; E132-F145 WeakPolarHBondContact OE1-CD2 3.44Å; E132-F145 WeakPolarHBondContact OE2-CD2 3.43Å; E132-F145 WeakPolarHBondContact OE2-CE2 3.1Å; K133-F145 HydrophobicContact CB-CB 4.07Å; K133-F145 HydrophobicContact CB-CG 4.39Å; N143-F145 PolarHBondContact O-N 2.81Å; N143-F145 WeakPolarHBondContact OD1-CB 3.33Å; N143-F145 PolarHBondContact OD1-N 3.42Å; F145-R149 VanDerWaalsContact CD2-NH1 3.3Å; F145-R149 VanDerWaalsContact CZ-NE 3.29Å; F145-R149 PolarHBondContact O-NH1 3.37Å; F145-R149 VanDerWaalsContact O-NH1 3.16Å
146	A	97.9	Very high	96.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-67.1	-47.3	176	0	0	0	0	0	110.5	F120 N143 A144 D148 R149 I150 F306	F120-A146 HydrophobicContact CB-CB 4.18Å; F120-A146 HydrophobicContact CD1-CB 3.67Å; F120-A146 HydrophobicContact CD2-CB 4.46Å; F120-A146 HydrophobicContact CE1-CB 4.15Å; F120-A146 HydrophobicContact CG-CB 3.86Å; N143-A146 HydrophobicContact CB-CB 4.14Å; N143-A146 PolarHBondContact O-N 2.93Å; N143-A146 PolarHBondContact OD1-N 3.42Å; N143-A146 VanDerWaalsContact OD1-N 3.15Å; A144-A146 VanDerWaalsContact C-N 3.3Å; A144-A146 PolarHBondContact O-N 3.1Å; A146-D148 VanDerWaalsContact C-N 3.31Å; A146-D148 PolarHBondContact O-N 2.9Å; A146-R149 PolarHBondContact O-N 3Å; A146-R149 VanDerWaalsContact O-N 3.11Å; A146-I150 WeakPolarHBondContact O-CD1 3.32Å; A146-I150 VanDerWaalsContact O-CG1 3.28Å; A146-I150 WeakPolarHBondContact O-CG1 3.29Å; A146-I150 PolarHBondContact O-N 3.13Å; A146-F306 HydrophobicContact CB-CD2 4.15Å
147	S	98.4	Very high	96.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-55.5	-44.2	178.1	-173.2	0	0	0	0	112.4	N143 A144 R149 I150 S191 T192 R195 F306	N143-S147 PolarHBondContact O-N 3.09Å; A144-S147 CarbonylContact O-C 3.57Å; A144-S147 WeakPolarHBondContact O-CB 3.02Å; A144-S147 PolarHBondContact O-N 3.12Å; A144-S147 VanDerWaalsContact O-N 3.08Å; S147-R149 PolarHBondContact O-N 3.28Å; S147-R149 VanDerWaalsContact O-N 3.17Å; S147-I150 PolarHBondContact O-N 3.22Å; S147-I150 VanDerWaalsContact O-N 3.16Å; S147-S191 WeakPolarHBondContact CB-OG 3.43Å; S147-S191 WeakPolarHBondContact OG-CB 3.31Å; S147-S191 PolarHBondContact OG-OG 3.24Å; S147-T192 WeakPolarHBondContact OG-CG2 3.36Å; S147-R195 PolarHBondContact O-NH2 3.02Å; S147-R195 PolarHBondContact OG-NH1 2.83Å; S147-R195 PolarHBondContact OG-NH2 3.48Å; S147-F306 VanDerWaalsContact CB-CZ 3.49Å
148	D	98.3	Very high	96.8	Very high	88 Å²	88	37.8 Å²	37.8	47%	0.471	19%	0.194	S	C	.	.	H	α-helix	trans	-67.2	-18.2	-176.7	-66.2	-18.9	0	0	0	113.1	A144 A146 S191	A144-D148 VanDerWaalsContact O-CG 3.22Å; A144-D148 PolarHBondContact O-N 2.87Å; A146-D148 VanDerWaalsContact C-N 3.31Å; A146-D148 PolarHBondContact O-N 2.9Å; D148-S191 WeakPolarHBondContact OD1-CB 3.49Å; D148-S191 PolarHBondContact OD1-OG 3.01Å
149	R	97.8	Very high	97	Very high	94 Å²	94	30.9 Å²	30.9	36%	0.355	17%	0.166	S	C	.	.	H	α-helix	trans	-103	-2.6	178.7	-70.2	164.4	178.3	75.1	-3.3	113.6	F120 E132 F145 A146 S147	F120-R149 HydrophobicContact CE2-CB 4.08Å; E132-R149 IonicContact OE1-CZ 3.66Å; E132-R149 IonicContact OE1-NH1 3.88Å; E132-R149 PolarHBondContact OE1-NH1 2.95Å; E132-R149 IonicContact OE1-NH2 3.77Å; E132-R149 PolarHBondContact OE1-NH2 3.1Å; E132-R149 VanDerWaalsContact OE1-NH2 3.13Å; E132-R149 IonicContact OE2-CZ 3.93Å; E132-R149 IonicContact OE2-NH1 3.41Å; E132-R149 IonicContact OE2-NH2 3.98Å; E132-R149 PolarHBondContact OE2-NH2 2.87Å; F145-R149 VanDerWaalsContact CD2-NH1 3.3Å; F145-R149 VanDerWaalsContact CZ-NE 3.29Å; F145-R149 PolarHBondContact O-NH1 3.37Å; F145-R149 VanDerWaalsContact O-NH1 3.16Å; A146-R149 PolarHBondContact O-N 3Å; A146-R149 VanDerWaalsContact O-N 3.11Å; S147-R149 PolarHBondContact O-N 3.28Å; S147-R149 VanDerWaalsContact O-N 3.17Å
150	I	98.5	Very high	97.2	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.031	16%	0.157	C	C	.	.	S	Bend	trans	-96.7	134.1	173.5	-67.7	164.8	0	0	0	108.8	F120 A146 S147 L152 R154 R195 F306	F120-I150 HydrophobicContact CB-CD1 4.21Å; F120-I150 HydrophobicContact CD2-CG1 4.25Å; A146-I150 WeakPolarHBondContact O-CD1 3.32Å; A146-I150 VanDerWaalsContact O-CG1 3.28Å; A146-I150 WeakPolarHBondContact O-CG1 3.29Å; A146-I150 PolarHBondContact O-N 3.13Å; S147-I150 PolarHBondContact O-N 3.22Å; S147-I150 VanDerWaalsContact O-N 3.16Å; I150-L152 PolarHBondContact O-N 3.05Å; I150-R154 VanDerWaalsContact CG2-CD 3.43Å; I150-R154 HydrophobicContact CG2-CG 4.46Å; I150-R195 PolarHBondContact O-NH2 3.17Å; I150-F306 HydrophobicContact CD1-CB 3.4Å; I150-F306 VanDerWaalsContact CD1-CB 3.4Å; I150-F306 HydrophobicContact CD1-CD1 4.49Å; I150-F306 HydrophobicContact CD1-CG 3.94Å
151	S	98.3	Very high	97.3	Very high	44 Å²	44	28.2 Å²	28.2	31%	0.308	16%	0.156	S	C	.	.			trans	-48.8	136.4	177.3	175.8	0	0	0	0	112.2	Q108 Q153 R154 R195	Q108-S151 PolarHBondContact OE1-OG 3.17Å; Q108-S151 VanDerWaalsContact OE1-OG 3.11Å; S151-Q153 PolarHBondContact O-N 2.85Å; S151-Q153 PolarHBondContact OG-N 3.48Å; S151-Q153 VanDerWaalsContact OG-N 3.11Å; S151-R154 PolarHBondContact OG-N 3Å; S151-R195 PolarHBondContact O-NE 2.86Å; S151-R195 VanDerWaalsContact O-NE 3.12Å
152	L	98.3	Very high	97.4	Very high	39 Å²	39	27.7 Å²	27.7	20%	0.204	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-20.3	171.9	-56.1	-179.2	0	0	0	111.9	I150 S191 L194 R195 Y198	I150-L152 PolarHBondContact O-N 3.05Å; L152-S191 VanDerWaalsContact CD2-O 3.28Å; L152-S191 WeakPolarHBondContact CD2-O 3.34Å; L152-L194 HydrophobicContact CD1-CB 4.02Å; L152-L194 HydrophobicContact CD1-CD1 4.07Å; L152-L194 HydrophobicContact CD2-CB 4.37Å; L152-R195 HydrophobicContact CD2-CB 4.44Å; L152-Y198 HydrophobicContact CB-CD2 3.93Å; L152-Y198 HydrophobicContact CB-CE2 4.38Å; L152-Y198 HydrophobicContact CD1-CE2 4.3Å; L152-Y198 WeakPolarHBondContact O-CB 3.45Å
153	Q	97.6	Very high	97.4	Very high	56 Å²	56	30.5 Å²	30.5	26%	0.262	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	18	-173.4	-61.8	177.4	70.1	0	0	112	R105 P106 Q108 S151 Y198 H202	R105-Q153 VanDerWaalsContact CD-O 3.26Å; R105-Q153 WeakPolarHBondContact CD-O 3.25Å; R105-Q153 PolarHBondContact NE-O 2.93Å; P106-Q153 HydrophobicContact CG-CB 4.47Å; Q108-Q153 PolarHBondContact OE1-O 3.08Å; S151-Q153 PolarHBondContact O-N 2.85Å; S151-Q153 PolarHBondContact OG-N 3.48Å; S151-Q153 VanDerWaalsContact OG-N 3.11Å; Q153-Y198 HydrophobicContact CG-CD1 3.77Å; Q153-Y198 HydrophobicContact CG-CD2 4.29Å; Q153-Y198 HydrophobicContact CG-CE1 4.21Å; Q153-Y198 HydrophobicContact CG-CG 3.83Å; Q153-H202 PolarHBondContact OE1-NE2 3.3Å
154	R	98	Very high	97.4	Very high	8 Å²	8	33.3 Å²	33.3	3%	0.03	18%	0.184	C	C	.	.			trans	-54.3	144.5	-174.5	80.2	179.4	-164.7	166	-9.5	111.9	R105 G114 I150 S151 E273 F306	R105-R154 PolarHBondContact NE-O 3Å; R105-R154 PolarHBondContact NH2-O 3.31Å; G114-R154 WeakPolarHBondContact O-CD 3.49Å; G114-R154 PolarHBondContact O-NH1 2.65Å; I150-R154 VanDerWaalsContact CG2-CD 3.43Å; I150-R154 HydrophobicContact CG2-CG 4.46Å; S151-R154 PolarHBondContact OG-N 3Å; R154-E273 IonicContact CZ-OE1 3.1Å; R154-E273 IonicContact CZ-OE2 3.79Å; R154-E273 IonicContact NE-OE1 2.7Å; R154-E273 PolarHBondContact NE-OE1 2.93Å; R154-E273 IonicContact NE-OE2 3Å; R154-E273 PolarHBondContact NE-OE2 2.66Å; R154-E273 IonicContact NH2-OE1 3.05Å; R154-E273 PolarHBondContact NH2-OE1 3.46Å; R154-E273 IonicContact NH2-OE2 3.32Å; R154-E273 PolarHBondContact NH2-OE2 2.95Å; R154-F306 PolarHBondContact NH1-O 2.89Å; R154-F306 PolarHBondContact NH2-O 3.45Å
155	S	96.9	Very high	97.4	Very high	19 Å²	19	33.3 Å²	33.3	13%	0.133	18%	0.183	C	C	.	.			trans	-75.3	162	164.6	49.3	0	0	0	0	110.9	D116 G117	D116-S155 CarbonylContact C-O 3.58Å; D116-S155 WeakPolarHBondContact CA-O 3.44Å; D116-S155 PolarHBondContact N-O 3.41Å; D116-S155 WeakPolarHBondContact OD1-CB 3.48Å; D116-S155 PolarHBondContact OD1-OG 3.47Å; G117-S155 PolarHBondContact N-O 3.08Å
156	L	97.9	Very high	97.3	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.016	20%	0.202	C	C	.	.			trans	-108	21.7	171.3	-58.9	177.3	0	0	0	111.4	D116 E273 F275 F308 K310	D116-L156 CarbonylContact O-C 3.42Å; L156-E273 HydrophobicContact CD1-CB 4.29Å; L156-F275 HydrophobicContact CB-CD2 3.87Å; L156-F275 HydrophobicContact CB-CE2 3.72Å; L156-F275 HydrophobicContact CD1-CD2 3.69Å; L156-F275 HydrophobicContact CD1-CE2 4.39Å; L156-F275 HydrophobicContact CG-CD2 4.44Å; L156-F308 HydrophobicContact CD1-CD2 3.84Å; L156-F308 HydrophobicContact CD1-CE1 4.37Å; L156-F308 HydrophobicContact CD1-CE2 3.58Å; L156-F308 HydrophobicContact CD1-CG 4.34Å; L156-F308 HydrophobicContact CD1-CZ 3.88Å; L156-F308 HydrophobicContact CD2-CB 4.12Å; L156-F308 HydrophobicContact CD2-CD2 3.84Å; L156-F308 HydrophobicContact CD2-CE2 4.44Å; L156-F308 HydrophobicContact CD2-CG 3.99Å; L156-F308 HydrophobicContact CG-CD2 4.47Å; L156-K310 WeakPolarHBondContact O-CE 3.28Å; L156-K310 PolarHBondContact O-NZ 3.24Å
157	G	96	Very high	97.2	Very high	12 Å²	12	41.6 Å²	41.6	12%	0.124	23%	0.23	C	C	.	.			trans	71.1	-159.1	-177.9	0	0	0	0	0	113.9	D116 H276	D116-G157 VanDerWaalsContact OD1-CA 3.26Å; D116-G157 WeakPolarHBondContact OD1-CA 3.4Å; D116-G157 PolarHBondContact OD1-N 3.42Å; G157-H276 PolarHBondContact O-NE2 2.87Å
158	P	95.9	Very high	97.2	Very high	93 Å²	93	44 Å²	44	60%	0.604	24%	0.241	S	C	*	.	S	Bend	trans	-65.2	154.9	180	28.3	-35	0	0	0	111.6	T160	P158-T160 HydrophobicContact CG-CG2 4.45Å; P158-T160 PolarHBondContact O-N 3.02Å
159	D	96.8	Very high	97.1	Very high	44 Å²	44	45.5 Å²	45.5	24%	0.235	24%	0.244	C	C	.	.			trans	-70.9	112	172.8	-166.8	-14.6	0	0	0	110	R161 F275 H276	D159-R161 VanDerWaalsContact OD1-CB 3.27Å; D159-R161 WeakPolarHBondContact OD1-CB 3.34Å; D159-R161 VanDerWaalsContact OD1-CG 3.28Å; D159-R161 WeakPolarHBondContact OD1-CG 3.48Å; D159-R161 PolarHBondContact OD1-N 3.3Å; D159-R161 IonicContact OD1-NE 2.88Å; D159-R161 PolarHBondContact OD1-NE 3.03Å; D159-R161 IonicContact OD2-CZ 2.8Å; D159-R161 IonicContact OD2-NE 2.81Å; D159-R161 PolarHBondContact OD2-NE 3.41Å; D159-R161 VanDerWaalsContact OD2-NE 3.1Å; D159-R161 IonicContact OD2-NH2 3.24Å; D159-R161 PolarHBondContact OD2-NH2 3.16Å; D159-F275 WeakPolarHBondContact OD1-CE1 3.47Å; D159-H276 HydrophobicContact CB-CB 4.37Å
160	T	96.9	Very high	97.1	Very high	34 Å²	34	42 Å²	42	21%	0.209	23%	0.231	C	C	.	.			trans	-106.2	13.3	-178.4	56.2	0	0	0	0	112.8	P158 P311 V312 Q313	P158-T160 HydrophobicContact CG-CG2 4.45Å; P158-T160 PolarHBondContact O-N 3.02Å; T160-P311 WeakPolarHBondContact CB-O 3.36Å; T160-P311 CarbonylContact O-C 3.47Å; T160-P311 VanDerWaalsContact O-O 3.12Å; T160-P311 PolarHBondContact OG1-O 3.48Å; T160-V312 CarbonylContact O-C 3.58Å; T160-V312 VanDerWaalsContact O-C 3.32Å; T160-Q313 WeakPolarHBondContact O-CG 3.45Å; T160-Q313 PolarHBondContact O-N 3.39Å
161	R	97.4	Very high	97	Very high	15 Å²	15	50 Å²	50	6%	0.057	26%	0.261	C	S	.	.	S	Bend	trans	-63.7	160.5	172.8	-69.4	179.5	-60.6	160.8	3.8	111.2	D159 C165 V166 F275 H276 G277 P311 C402 V404	D159-R161 VanDerWaalsContact OD1-CB 3.27Å; D159-R161 WeakPolarHBondContact OD1-CB 3.34Å; D159-R161 VanDerWaalsContact OD1-CG 3.28Å; D159-R161 WeakPolarHBondContact OD1-CG 3.48Å; D159-R161 PolarHBondContact OD1-N 3.3Å; D159-R161 IonicContact OD1-NE 2.88Å; D159-R161 PolarHBondContact OD1-NE 3.03Å; D159-R161 IonicContact OD2-CZ 2.8Å; D159-R161 IonicContact OD2-NE 2.81Å; D159-R161 PolarHBondContact OD2-NE 3.41Å; D159-R161 VanDerWaalsContact OD2-NE 3.1Å; D159-R161 IonicContact OD2-NH2 3.24Å; D159-R161 PolarHBondContact OD2-NH2 3.16Å; R161-C165 HydrophobicContact CB-CB 4.09Å; R161-V166 HydrophobicContact CB-CG2 4.2Å; R161-F275 HydrophobicContact CG-CD1 4.03Å; R161-F275 HydrophobicContact CG-CE1 3.99Å; R161-H276 PolarHBondContact NE-O 3.06Å; R161-H276 PolarHBondContact NH1-O 3.17Å; R161-H276 VanDerWaalsContact NH1-O 3.08Å; R161-H276 PolarHBondContact NH2-O 2.82Å; R161-G277 PolarHBondContact NH1-O 2.85Å; R161-G277 VanDerWaalsContact NH1-O 3.13Å; R161-P311 HydrophobicContact CG-CB 4.14Å; R161-P311 HydrophobicContact CG-CG 3.63Å; R161-C402 WeakPolarHBondContact CD-O 3.32Å; R161-C402 PolarHBondContact NH1-O 2.91Å; R161-V404 HydrophobicContact CG-CG2 4.43Å
162	P	96.6	Very high	96.9	Very high	14 Å²	14	49.9 Å²	49.9	9%	0.091	25%	0.254	C	S	.	.			trans	-50	140.4	170	-27	35	0	0	0	112	E164 C165 V166 E345	P162-E164 HydrophobicContact CB-CG 4.23Å; P162-E164 WeakPolarHBondContact CB-OE2 3.36Å; P162-E164 PolarHBondContact O-N 3.24Å; P162-C165 VanDerWaalsContact O-CB 3.3Å; P162-C165 WeakPolarHBondContact O-CB 3.45Å; P162-C165 PolarHBondContact O-N 3.38Å; P162-V166 PolarHBondContact O-N 3.29Å; P162-E345 HydrophobicContact CB-CB 4Å; P162-E345 HydrophobicContact CB-CG 3.97Å; P162-E345 HydrophobicContact CG-CB 3.9Å; P162-E345 HydrophobicContact CG-CG 3.69Å
163	P	96.4	Very high	96.7	Very high	59 Å²	59	50.2 Å²	50.2	38%	0.383	26%	0.259	S	S	.	.	H	α-helix	trans	-52.8	-39.9	-176.6	-28.4	35.6	0	0	0	113.9	C165 V166 D167	P163-C165 PolarHBondContact O-N 2.9Å; P163-V166 PolarHBondContact O-N 2.82Å; P163-D167 WeakPolarHBondContact O-CB 3.31Å; P163-D167 PolarHBondContact O-N 2.71Å
164	E	96.1	Very high	96.6	Very high	64 Å²	64	50.6 Å²	50.6	30%	0.299	27%	0.266	S	S	.	.	H	α-helix	trans	-60.2	-28.3	177.1	61.9	-93.3	-142.7	0	0	113.6	P162 Q168 D344 E345 T346	P162-E164 HydrophobicContact CB-CG 4.23Å; P162-E164 WeakPolarHBondContact CB-OE2 3.36Å; P162-E164 PolarHBondContact O-N 3.24Å; E164-Q168 WeakPolarHBondContact O-CB 3.19Å; E164-Q168 PolarHBondContact O-N 3.07Å; E164-D344 HydrophobicContact CG-CB 4.11Å; E164-E345 HydrophobicContact CG-CB 4.09Å; E164-E345 WeakPolarHBondContact OE1-CB 3.29Å; E164-E345 WeakPolarHBondContact OE1-CG 3.26Å; E164-E345 PolarHBondContact OE1-N 2.04Å; E164-E345 VanDerWaalsContact OE1-N 3.16Å; E164-T346 HydrophobicContact CB-CG2 4.07Å; E164-T346 HydrophobicContact CG-CG2 4.04Å
165	C	97.1	Very high	96.4	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.034	28%	0.282	C	S	.	.	H	α-helix	trans	-77.2	-37.6	174.6	-65.7	0	0	0	0	111.8	R161 P162 P163 C402	R161-C165 HydrophobicContact CB-CB 4.09Å; P162-C165 VanDerWaalsContact O-CB 3.3Å; P162-C165 WeakPolarHBondContact O-CB 3.45Å; P162-C165 PolarHBondContact O-N 3.38Å; P163-C165 PolarHBondContact O-N 2.9Å; C165-C402 WeakPolarHBondContact CA-SG 3.33Å; C165-C402 HydrophobicContact CB-CB 3.55Å; C165-C402 WeakPolarHBondContact CB-SG 3.38Å; C165-C402 WeakPolarHBondContact SG-CA 3.42Å; C165-C402 WeakPolarHBondContact SG-CB 3.26Å; C165-C402 CovalentContact SG-SG 2.04Å; C165-C402 PolarHBondContact SG-SG 2.95Å
166	V	96.5	Very high	96.5	Very high	66 Å²	66	52.6 Å²	52.6	40%	0.4	28%	0.279	S	S	.	.	H	α-helix	trans	-70.9	-39.8	178.8	-178	0	0	0	0	110.5	R161 P162 P163 Q168	R161-V166 HydrophobicContact CB-CG2 4.2Å; P162-V166 PolarHBondContact O-N 3.29Å; P163-V166 PolarHBondContact O-N 2.82Å; V166-Q168 VanDerWaalsContact C-N 3.33Å
167	D	96.3	Very high	96.4	Very high	110 Å²	110	53.2 Å²	53.2	59%	0.588	29%	0.285	S	S	*	.	S	Bend	trans	-84.1	-7.9	-177.8	-67.6	-30.5	0	0	0	113.4	P163 K169	P163-D167 WeakPolarHBondContact O-CB 3.31Å; P163-D167 PolarHBondContact O-N 2.71Å; D167-K169 WeakPolarHBondContact O-CE 3.41Å; D167-K169 PolarHBondContact O-N 2.72Å
168	Q	97	Very high	96.5	Very high	51 Å²	51	54.7 Å²	54.7	24%	0.238	29%	0.291	C	S	.	.			trans	-53.8	133	-178	-166	175.5	15.5	0	0	111.5	E164 V166 F170	E164-Q168 WeakPolarHBondContact O-CB 3.19Å; E164-Q168 PolarHBondContact O-N 3.07Å; V166-Q168 VanDerWaalsContact C-N 3.33Å; Q168-F170 HydrophobicContact CB-CZ 4.3Å; Q168-F170 HydrophobicContact CG-CE1 3.97Å; Q168-F170 HydrophobicContact CG-CZ 3.98Å
169	K	97.5	Very high	96.7	Very high	119 Å²	119	50.3 Å²	50.3	52%	0.517	26%	0.263	S	S	.	.			trans	-113.6	137	175.5	-55.8	-57.5	174.4	-155.2	0	110.2	F93 D167	F93-K169 HydrophobicContact CB-CB 4.05Å; F93-K169 HydrophobicContact CD1-CB 3.45Å; F93-K169 VanDerWaalsContact CD1-CB 3.45Å; F93-K169 HydrophobicContact CE1-CB 4.02Å; F93-K169 HydrophobicContact CG-CB 3.83Å; D167-K169 WeakPolarHBondContact O-CE 3.41Å; D167-K169 PolarHBondContact O-N 2.72Å
170	F	97.6	Very high	96.8	Very high	21 Å²	21	48.2 Å²	48.2	9%	0.092	25%	0.251	C	S	.	.			trans	-102	127.8	-178.4	-55.9	-73.8	0	0	0	110.6	F93 Y94 L99 Q168 L176 E280 P281 A284	F93-F170 CarbonylContact C-O 3.53Å; F93-F170 WeakPolarHBondContact CA-O 3.26Å; F93-F170 WeakPolarHBondContact CB-O 3.49Å; Y94-F170 HydrophobicContact CD2-CB 4.17Å; Y94-F170 WeakPolarHBondContact CD2-O 3.36Å; Y94-F170 PolarHBondContact N-O 3.44Å; L99-F170 HydrophobicContact CD1-CD2 4.13Å; Q168-F170 HydrophobicContact CB-CZ 4.3Å; Q168-F170 HydrophobicContact CG-CE1 3.97Å; Q168-F170 HydrophobicContact CG-CZ 3.98Å; F170-L176 HydrophobicContact CB-CD1 3.94Å; F170-L176 HydrophobicContact CB-CG 4.5Å; F170-L176 HydrophobicContact CG-CD1 4.29Å; F170-E280 HydrophobicContact CD1-CB 4.27Å; F170-E280 HydrophobicContact CD2-CB 3.67Å; F170-E280 HydrophobicContact CD2-CG 4.32Å; F170-E280 HydrophobicContact CE1-CB 3.96Å; F170-E280 HydrophobicContact CE2-CB 3.32Å; F170-E280 HydrophobicContact CE2-CG 4.11Å; F170-E280 HydrophobicContact CG-CB 4.14Å; F170-E280 HydrophobicContact CZ-CB 3.48Å; F170-E280 VanDerWaalsContact CZ-CB 3.48Å; F170-P281 HydrophobicContact CE1-CG 4.29Å; F170-P281 HydrophobicContact CZ-CG 3.95Å; F170-A284 HydrophobicContact CD1-CB 3.62Å; F170-A284 HydrophobicContact CE1-CB 4.02Å
171	R	96.4	Very high	96.9	Very high	174 Å²	174	46.6 Å²	46.6	66%	0.657	24%	0.242	S	C	*	.	B	Isolated β-bridge	trans	-68.3	144.4	179.4	-65.3	-179.4	-179.8	-179.9	1.7	109.6	F93 Y94 C173	F93-R171 HydrophobicContact CD1-CG 3.99Å; F93-R171 HydrophobicContact CE1-CG 3.58Å; F93-R171 HydrophobicContact CZ-CG 4.28Å; Y94-R171 VanDerWaalsContact CE2-O 3.32Å; Y94-R171 WeakPolarHBondContact CE2-O 3.38Å; R171-C173 PolarHBondContact O-N 2.81Å
172	R	95.9	Very high	96.9	Very high	41 Å²	41	45.9 Å²	45.9	16%	0.155	24%	0.239	C	C	.	.	S	Bend	trans	-78	-7.8	169.7	-66.5	-167.6	-170.8	82.6	6.5	113.2	L90 P91 G92 F93 Y94 E98 P174 P175	L90-R172 HydrophobicContact CB-CB 4Å; L90-R172 VanDerWaalsContact O-CB 3.22Å; L90-R172 WeakPolarHBondContact O-CB 3.35Å; P91-R172 PolarHBondContact O-NH1 3.22Å; G92-R172 PolarHBondContact O-N 2.77Å; F93-R172 PolarHBondContact O-NH1 3.21Å; F93-R172 PolarHBondContact O-NH2 2.74Å; Y94-R172 HydrophobicContact CD1-CG 4.16Å; Y94-R172 HydrophobicContact CD2-CG 3.9Å; Y94-R172 HydrophobicContact CE1-CG 4.17Å; Y94-R172 HydrophobicContact CE2-CB 4.26Å; Y94-R172 HydrophobicContact CE2-CG 3.89Å; Y94-R172 HydrophobicContact CG-CG 4.04Å; E98-R172 IonicContact OE1-CZ 2.93Å; E98-R172 IonicContact OE1-NE 3.02Å; E98-R172 PolarHBondContact OE1-NE 3.15Å; E98-R172 IonicContact OE1-NH2 3.61Å; E98-R172 PolarHBondContact OE1-NH2 3.26Å; E98-R172 IonicContact OE2-CZ 2.76Å; E98-R172 IonicContact OE2-NE 3.36Å; E98-R172 IonicContact OE2-NH2 3.49Å; E98-R172 PolarHBondContact OE2-NH2 3.25Å; R172-P174 CarbonylContact O-C 3.57Å; R172-P175 WeakPolarHBondContact O-CA 3.5Å
173	C	94	Very high	97.1	Very high	46 Å²	46	45.2 Å²	45.2	31%	0.311	24%	0.235	S	C	.	.	S	Bend	trans	-139.1	122.6	176.6	-165	0	0	0	0	112.1	C89 R171	C89-C173 HydrophobicContact CB-CB 4.05Å; C89-C173 WeakPolarHBondContact CB-SG 3.47Å; C89-C173 WeakPolarHBondContact SG-CB 3.46Å; C89-C173 CovalentContact SG-SG 2.02Å; C89-C173 PolarHBondContact SG-SG 3.18Å; R171-C173 PolarHBondContact O-N 2.81Å
174	P	94.4	Very high	97.2	Very high	64 Å²	64	43.1 Å²	43.1	42%	0.416	22%	0.221	S	C	.	.	S	Bend	cis	-57	145.9	-11	27.1	-33.9	0	0	0	110.9	R172 A287	R172-P174 CarbonylContact O-C 3.57Å; P174-A287 HydrophobicContact CB-CB 4.41Å; P174-A287 HydrophobicContact CG-CB 4.05Å; P174-A287 WeakPolarHBondContact CG-O 3.47Å
175	P	95.8	Very high	97.3	Very high	55 Å²	55	40.3 Å²	40.3	36%	0.357	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-66.6	151.7	-178.5	28	-34.7	0	0	0	110.8	R172 A177	R172-P175 WeakPolarHBondContact O-CA 3.5Å; P175-A177 PolarHBondContact O-N 2.82Å
176	L	97.2	Very high	97.3	Very high	14 Å²	14	41 Å²	41	7%	0.073	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-68.7	120.2	170.6	-64.1	-177.1	0	0	0	108.9	Y94 F170 L208 E280 L283 A284	Y94-L176 HydrophobicContact CD2-CD1 4.15Å; Y94-L176 HydrophobicContact CD2-CG 4.33Å; Y94-L176 HydrophobicContact CE2-CB 4.21Å; Y94-L176 HydrophobicContact CE2-CD1 3.99Å; Y94-L176 HydrophobicContact CE2-CG 3.72Å; Y94-L176 PolarHBondContact OH-N 3.19Å; F170-L176 HydrophobicContact CB-CD1 3.94Å; F170-L176 HydrophobicContact CB-CG 4.5Å; F170-L176 HydrophobicContact CG-CD1 4.29Å; L176-L208 HydrophobicContact CB-CD1 4.47Å; L176-L208 HydrophobicContact CB-CD2 3.58Å; L176-L208 HydrophobicContact CD1-CD1 3.94Å; L176-L208 HydrophobicContact CD1-CD2 4.37Å; L176-E280 HydrophobicContact CD1-CB 4.46Å; L176-L283 HydrophobicContact CD2-CB 4.28Å; L176-A284 VanDerWaalsContact CD2-CA 3.45Å; L176-A284 HydrophobicContact CD2-CB 3.77Å
177	A	97.1	Very high	97.3	Very high	17 Å²	17	39.6 Å²	39.6	14%	0.14	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-70.3	148.9	179.6	0	0	0	0	0	111.2	P175 E263 V264 L283	P175-A177 PolarHBondContact O-N 2.82Å; A177-E263 HydrophobicContact CB-CB 3.99Å; A177-V264 HydrophobicContact CB-CG2 3.87Å; A177-L283 WeakPolarHBondContact O-CD1 3.29Å
178	T	98.5	Very high	97.4	Very high	43 Å²	43	34.6 Å²	34.6	26%	0.264	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-68.8	153.2	172	60.3	0	0	0	0	111.3	L208 A262 E263 V264	T178-L208 CarbonylContact C-O 3.27Å; T178-L208 WeakPolarHBondContact CA-O 3.21Å; T178-A262 WeakPolarHBondContact O-CB 3.47Å; T178-E263 PolarHBondContact O-N 2.84Å; T178-V264 PolarHBondContact O-N 2.92Å
179	T	98.8	Very high	97.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	145	177.3	-167.8	0	0	0	0	113.4	V181 L208 K210 V264 T266 L279	T179-V181 HydrophobicContact CG2-CG2 4.15Å; T179-L208 PolarHBondContact N-O 3.3Å; T179-K210 WeakPolarHBondContact O-CB 3.48Å; T179-K210 PolarHBondContact O-N 2.9Å; T179-V264 VanDerWaalsContact CA-O 3.29Å; T179-V264 WeakPolarHBondContact CA-O 3.44Å; T179-V264 PolarHBondContact OG1-O 3.08Å; T179-T266 WeakPolarHBondContact OG1-CB 3.41Å; T179-T266 PolarHBondContact OG1-N 3.47Å; T179-T266 PolarHBondContact OG1-OG1 3.4Å; T179-L279 HydrophobicContact CG2-CD1 4.14Å; T179-L279 HydrophobicContact CG2-CD2 3.7Å
180	S	98.9	Very high	97.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	113.2	165.3	-66.2	0	0	0	0	107.1	E211 Q261 A262 V264 T266	S180-E211 WeakPolarHBondContact OG-CG 3.42Å; S180-E211 PolarHBondContact OG-OE1 2.83Å; S180-Q261 PolarHBondContact OG-N 3.03Å; S180-A262 WeakPolarHBondContact OG-CB 3.48Å; S180-A262 PolarHBondContact OG-N 3.13Å; S180-A262 VanDerWaalsContact OG-N 3.09Å; S180-V264 PolarHBondContact N-O 2.97Å; S180-T266 PolarHBondContact O-N 3.19Å
181	V	98.9	Very high	97.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	119.2	178.1	178.3	0	0	0	0	108.8	T179 I183 V200 L209 E211 I212 I213 T266 L268	T179-V181 HydrophobicContact CG2-CG2 4.15Å; V181-I183 HydrophobicContact CG1-CD1 4.31Å; V181-I183 HydrophobicContact CG1-CG1 4.14Å; V181-V200 HydrophobicContact CB-CG1 4.48Å; V181-V200 HydrophobicContact CG1-CG1 4.37Å; V181-V200 HydrophobicContact CG1-CG2 4.29Å; V181-V200 HydrophobicContact CG2-CG1 4.04Å; V181-L209 HydrophobicContact CB-CD1 4.49Å; V181-L209 HydrophobicContact CG2-CD1 3.75Å; V181-E211 PolarHBondContact N-O 3.29Å; V181-I212 HydrophobicContact CB-CG1 4.34Å; V181-I212 CarbonylContact O-C 3.52Å; V181-I212 WeakPolarHBondContact O-CA 3.02Å; V181-I213 PolarHBondContact O-N 2.78Å; V181-T266 CarbonylContact C-O 3.52Å; V181-T266 VanDerWaalsContact CA-O 3.27Å; V181-T266 WeakPolarHBondContact CA-O 3.21Å; V181-L268 HydrophobicContact CG1-CD1 3.93Å; V181-L268 HydrophobicContact CG1-CG 4.39Å
182	I	98.9	Very high	97.6	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.3	-177.6	-61	163.5	0	0	0	109	I213 V215 A257 A260 L265 T266 F267 L268	I182-I213 WeakPolarHBondContact CA-O 3.44Å; I182-I213 HydrophobicContact CG1-CB 4.26Å; I182-I213 HydrophobicContact CG1-CD1 4.18Å; I182-I213 HydrophobicContact CG1-CG1 4.36Å; I182-V215 HydrophobicContact CG2-CG2 4.22Å; I182-A257 HydrophobicContact CD1-CB 4.27Å; I182-A260 HydrophobicContact CD1-CB 4.38Å; I182-L265 HydrophobicContact CD1-CB 4.4Å; I182-L265 HydrophobicContact CD1-CD2 4.09Å; I182-T266 PolarHBondContact N-O 2.88Å; I182-F267 HydrophobicContact CB-CD1 3.82Å; I182-F267 HydrophobicContact CB-CE1 3.98Å; I182-F267 HydrophobicContact CD1-CD1 4.26Å; I182-F267 HydrophobicContact CD1-CE1 3.6Å; I182-F267 HydrophobicContact CD1-CZ 3.9Å; I182-F267 HydrophobicContact CG1-CE1 4.41Å; I182-F267 HydrophobicContact CG2-CD1 3.94Å; I182-F267 HydrophobicContact CG2-CE1 3.96Å; I182-F267 WeakPolarHBondContact O-CA 3.38Å; I182-L268 PolarHBondContact O-N 2.96Å
183	I	98.9	Very high	97.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	110	179.3	-57.3	168.1	0	0	0	108.2	V181 L193 T196 V197 I212 I213 L214 V215 L268 A270	V181-I183 HydrophobicContact CG1-CD1 4.31Å; V181-I183 HydrophobicContact CG1-CG1 4.14Å; I183-L193 HydrophobicContact CG2-CD1 4.43Å; I183-T196 HydrophobicContact CD1-CG2 3.9Å; I183-V197 HydrophobicContact CD1-CG2 4.41Å; I183-I212 HydrophobicContact CD1-CG2 3.96Å; I183-I213 PolarHBondContact N-O 2.88Å; I183-L214 HydrophobicContact CB-CD2 3.73Å; I183-L214 HydrophobicContact CD1-CD2 3.89Å; I183-L214 HydrophobicContact CG1-CD2 4.31Å; I183-L214 HydrophobicContact CG2-CD2 4.18Å; I183-L214 CarbonylContact O-C 3.48Å; I183-L214 WeakPolarHBondContact O-CA 3.39Å; I183-V215 PolarHBondContact O-N 3.3Å; I183-L268 WeakPolarHBondContact CA-O 3.4Å; I183-L268 HydrophobicContact CG1-CB 4.15Å; I183-A270 HydrophobicContact CG2-CB 3.82Å
184	V	98.6	Very high	98	Very high	15 Å²	15	16.4 Å²	16.4	9%	0.091	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	138.7	173.6	177	0	0	0	0	109.3	V215 D217 L249 A252 R253	V184-V215 WeakPolarHBondContact CA-O 3.12Å; V184-V215 HydrophobicContact CG2-CB 4.19Å; V184-D217 HydrophobicContact CG1-CB 4.48Å; V184-L249 HydrophobicContact CB-CD1 3.83Å; V184-L249 HydrophobicContact CG1-CD1 3.9Å; V184-L249 HydrophobicContact CG2-CD1 4.21Å; V184-A252 HydrophobicContact CB-CB 4.34Å; V184-A252 HydrophobicContact CG1-CB 3.49Å; V184-A252 VanDerWaalsContact CG1-CB 3.49Å; V184-A252 HydrophobicContact CG2-CB 3.85Å; V184-R253 HydrophobicContact CG2-CB 4.43Å; V184-R253 HydrophobicContact CG2-CG 3.6Å
185	F	98.3	Very high	98.2	Very high	5 Å²	5	13.7 Å²	13.7	2%	0.022	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	150.5	175.3	70.2	-82.6	0	0	0	112.3	E188 L193 L214 V215 D216 D217 L224 L228 A270	F185-E188 HydrophobicContact CB-CB 4.15Å; F185-L193 HydrophobicContact CB-CD1 4.35Å; F185-L193 HydrophobicContact CD1-CD1 4.25Å; F185-L193 HydrophobicContact CD2-CD2 4.22Å; F185-L193 HydrophobicContact CE2-CD2 4.31Å; F185-L193 HydrophobicContact CG-CD1 4.26Å; F185-L193 HydrophobicContact CG-CD2 4.34Å; F185-L214 HydrophobicContact CD1-CB 4.44Å; F185-L214 HydrophobicContact CE1-CB 3.91Å; F185-V215 WeakPolarHBondContact CD1-O 3.5Å; F185-V215 PolarHBondContact N-O 3.49Å; F185-D216 HydrophobicContact CE1-CB 3.93Å; F185-D216 HydrophobicContact CE2-CB 3.91Å; F185-D216 HydrophobicContact CZ-CB 3.46Å; F185-D216 VanDerWaalsContact CZ-CB 3.46Å; F185-D217 PolarHBondContact O-N 3.43Å; F185-L224 HydrophobicContact CD2-CD1 4.1Å; F185-L224 HydrophobicContact CD2-CD2 4.38Å; F185-L224 HydrophobicContact CE2-CB 4.12Å; F185-L224 HydrophobicContact CE2-CD1 4.03Å; F185-L224 HydrophobicContact CE2-CD2 4.05Å; F185-L224 HydrophobicContact CE2-CG 4.28Å; F185-L228 HydrophobicContact CE1-CD2 4.32Å; F185-L228 HydrophobicContact CE2-CD2 4.12Å; F185-L228 HydrophobicContact CZ-CD2 3.58Å; F185-A270 HydrophobicContact CB-CB 3.71Å
186	H	97.1	Very high	98.3	Very high	19 Å²	19	11 Å²	11	9%	0.088	6%	0.059	C	C	.	.	S	Bend	trans	-143.2	114.8	170.7	176.5	73.1	0	0	0	108.5	E188 D217 A218 S219 R246 H415	H186-E188 PolarHBondContact O-N 3.07Å; H186-D217 HydrophobicContact CB-CB 4.34Å; H186-D217 PolarHBondContact ND1-O 3.21Å; H186-A218 PolarHBondContact CE1-O 3.05Å; H186-S219 WeakPolarHBondContact CA-OG 3.35Å; H186-R246 PolarHBondContact CE1-NE 3.06Å; H186-R246 PolarHBondContact NE2-NE 3.3Å; H186-R246 VanDerWaalsContact NE2-NE 3.16Å; H186-H415 AromaticContact CD2-ND1 3.56Å; H186-H415 PolarHBondContact O-CE1 2.95Å; H186-H415 VanDerWaalsContact O-CE1 3.24Å
187	N	96.8	Very high	98.4	Very high	36 Å²	36	10.4 Å²	10.4	19%	0.193	6%	0.055	C	C	.	.	S	Bend	trans	53.6	35.2	-179.9	-68.6	-14.6	0	0	0	114.3	H140 S219 T220 E221	H140-N187 PolarHBondContact CE1-O 2.74Å; N187-S219 PolarHBondContact N-OG 2.93Å; N187-S219 WeakPolarHBondContact OD1-CA 3.18Å; N187-S219 VanDerWaalsContact OD1-CB 3.31Å; N187-S219 WeakPolarHBondContact OD1-CB 3.29Å; N187-T220 PolarHBondContact ND2-OG1 2.04Å; N187-T220 VanDerWaalsContact ND2-OG1 3.08Å; N187-T220 PolarHBondContact OD1-N 2.89Å; N187-T220 PolarHBondContact OD1-OG1 3.36Å; N187-E221 HydrophobicContact CB-CG 4.28Å
188	E	98.1	Very high	98.5	Very high	6 Å²	6	10.2 Å²	10.2	3%	0.028	5%	0.051	C	C	.	.			trans	-72.2	149.4	178.3	-167.4	59.1	-91.1	0	0	111.9	F185 H186 T192 L193 H223 A270 H271 R410	F185-E188 HydrophobicContact CB-CB 4.15Å; H186-E188 PolarHBondContact O-N 3.07Å; E188-T192 PolarHBondContact OE1-OG1 3.46Å; E188-L193 HydrophobicContact CB-CB 4.43Å; E188-L193 HydrophobicContact CG-CB 4.08Å; E188-H223 PolarHBondContact O-NE2 3.48Å; E188-A270 HydrophobicContact CB-CB 4.3Å; E188-A270 HydrophobicContact CG-CB 3.82Å; E188-H271 IonicContact OE2-CE1 2.69Å; E188-H271 IonicContact OE2-CG 3.9Å; E188-H271 IonicContact OE2-ND1 3.46Å; E188-H271 PolarHBondContact OE2-ND1 2.77Å; E188-R410 IonicContact OE1-NH1 2.93Å; E188-R410 IonicContact OE1-NH2 3.71Å; E188-R410 PolarHBondContact OE1-NH2 3.37Å; E188-R410 IonicContact OE2-CZ 3.13Å; E188-R410 IonicContact OE2-NH2 2.99Å; E188-R410 PolarHBondContact OE2-NH2 3.41Å
189	A	98	Very high	98.5	Very high	4 Å²	4	8.4 Å²	8.4	3%	0.033	4%	0.04	C	C	.	.			trans	-64.3	140.5	172.8	0	0	0	0	0	110.5	F142 S191 T192 L193	F142-A189 HydrophobicContact CE2-CB 4.29Å; F142-A189 HydrophobicContact CZ-CB 3.87Å; A189-S191 VanDerWaalsContact C-N 3.28Å; A189-S191 PolarHBondContact O-N 2.88Å; A189-T192 PolarHBondContact O-N 2.98Å; A189-T192 PolarHBondContact O-OG1 3.46Å; A189-T192 VanDerWaalsContact O-OG1 3.08Å; A189-L193 WeakPolarHBondContact O-CB 3.38Å; A189-L193 PolarHBondContact O-N 2.96Å; A189-L193 VanDerWaalsContact O-N 3.08Å
190	W	98.5	Very high	98.5	Very high	59 Å²	59	8.4 Å²	8.4	22%	0.223	4%	0.04	C	C	.	.	H	α-helix	trans	-56.2	-43.7	-178.5	176.4	-91.4	0	0	0	112.1	L194 H223 K227 L228 Y231	W190-L194 HydrophobicContact CD2-CD1 3.95Å; W190-L194 HydrophobicContact CG-CD1 4.37Å; W190-L194 HydrophobicContact CH2-CD1 4.24Å; W190-L194 HydrophobicContact CZ2-CD1 3.47Å; W190-L194 VanDerWaalsContact CZ2-CD1 3.47Å; W190-L194 VanDerWaalsContact NE1-CD1 3.32Å; W190-L194 WeakPolarHBondContact O-CB 3.4Å; W190-L194 PolarHBondContact O-N 3.32Å; W190-L194 VanDerWaalsContact O-N 3.08Å; W190-H223 HydrophobicContact CE3-CB 4.24Å; W190-H223 AromaticContact CE3-CD2 3.94Å; W190-H223 VanDerWaalsContact CZ3-O 3.23Å; W190-H223 WeakPolarHBondContact CZ3-O 3.4Å; W190-K227 HydrophobicContact CH2-CD 4.4Å; W190-K227 HydrophobicContact CH2-CG 4Å; W190-K227 HydrophobicContact CZ3-CD 4.38Å; W190-K227 HydrophobicContact CZ3-CG 4.15Å; W190-L228 HydrophobicContact CZ3-CB 4.11Å; W190-L228 HydrophobicContact CZ3-CD1 4.05Å; W190-Y231 HydrophobicContact CH2-CD1 4.44Å; W190-Y231 HydrophobicContact CH2-CD2 4.22Å; W190-Y231 AromaticContact CH2-CG 3.89Å; W190-Y231 HydrophobicContact CH2-CG 3.89Å; W190-Y231 HydrophobicContact CZ2-CD1 4.33Å; W190-Y231 AromaticContact CZ2-CD2 3.85Å; W190-Y231 HydrophobicContact CZ2-CD2 3.85Å; W190-Y231 HydrophobicContact CZ2-CE2 4.25Å; W190-Y231 AromaticContact CZ2-CG 3.88Å; W190-Y231 HydrophobicContact CZ2-CG 3.88Å
191	S	98.5	Very high	98.4	Very high	4 Å²	4	8.4 Å²	8.4	3%	0.028	4%	0.04	C	C	.	.	H	α-helix	trans	-67	-42.1	-176.9	55.9	0	0	0	0	113.1	S147 D148 L152 A189 R195	S147-S191 WeakPolarHBondContact CB-OG 3.43Å; S147-S191 WeakPolarHBondContact OG-CB 3.31Å; S147-S191 PolarHBondContact OG-OG 3.24Å; D148-S191 WeakPolarHBondContact OD1-CB 3.49Å; D148-S191 PolarHBondContact OD1-OG 3.01Å; L152-S191 VanDerWaalsContact CD2-O 3.28Å; L152-S191 WeakPolarHBondContact CD2-O 3.34Å; A189-S191 VanDerWaalsContact C-N 3.28Å; A189-S191 PolarHBondContact O-N 2.88Å; S191-R195 WeakPolarHBondContact O-CB 3.26Å; S191-R195 PolarHBondContact O-N 2.72Å
192	T	98.4	Very high	98.4	Very high	3 Å²	3	9 Å²	9	2%	0.018	4%	0.043	C	C	.	.	H	α-helix	trans	-71.9	-42.5	178.9	47.2	0	0	0	0	112.2	F142 S147 E188 A189 R195 T196 A270 F306	F142-T192 HydrophobicContact CE2-CG2 3.79Å; F142-T192 HydrophobicContact CZ-CG2 3.67Å; S147-T192 WeakPolarHBondContact OG-CG2 3.36Å; E188-T192 PolarHBondContact OE1-OG1 3.46Å; A189-T192 PolarHBondContact O-N 2.98Å; A189-T192 PolarHBondContact O-OG1 3.46Å; A189-T192 VanDerWaalsContact O-OG1 3.08Å; T192-R195 PolarHBondContact O-N 3.18Å; T192-T196 PolarHBondContact O-N 3.29Å; T192-T196 PolarHBondContact O-OG1 3.31Å; T192-A270 CarbonylContact C-O 3.52Å; T192-A270 VanDerWaalsContact C-O 3.27Å; T192-F306 HydrophobicContact CG2-CE1 3.88Å; T192-F306 HydrophobicContact CG2-CZ 4.07Å
193	L	98.8	Very high	98.4	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-58.2	-53	176.7	174.6	61.6	0	0	0	111.1	I183 F185 E188 A189 T196 V197 L214 L224 L228 A270	I183-L193 HydrophobicContact CG2-CD1 4.43Å; F185-L193 HydrophobicContact CB-CD1 4.35Å; F185-L193 HydrophobicContact CD1-CD1 4.25Å; F185-L193 HydrophobicContact CD2-CD2 4.22Å; F185-L193 HydrophobicContact CE2-CD2 4.31Å; F185-L193 HydrophobicContact CG-CD1 4.26Å; F185-L193 HydrophobicContact CG-CD2 4.34Å; E188-L193 HydrophobicContact CB-CB 4.43Å; E188-L193 HydrophobicContact CG-CB 4.08Å; A189-L193 WeakPolarHBondContact O-CB 3.38Å; A189-L193 PolarHBondContact O-N 2.96Å; A189-L193 VanDerWaalsContact O-N 3.08Å; L193-T196 WeakPolarHBondContact O-CB 3.22Å; L193-T196 PolarHBondContact O-N 3.49Å; L193-V197 PolarHBondContact O-N 3.31Å; L193-L214 HydrophobicContact CD1-CD2 4.4Å; L193-L224 HydrophobicContact CD2-CD2 3.72Å; L193-L228 HydrophobicContact CD2-CD1 4.12Å; L193-L228 HydrophobicContact CD2-CD2 3.89Å; L193-A270 VanDerWaalsContact CA-O 3.3Å; L193-A270 WeakPolarHBondContact CA-O 3.36Å; L193-A270 HydrophobicContact CD1-CB 3.89Å; L193-A270 PolarHBondContact N-O 2.64Å
194	L	98.7	Very high	98.3	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-70.8	-34.2	-178.8	-71.3	-175.7	0	0	0	113.1	L152 W190 T196 V197 Y198 L228 Y231 V232	L152-L194 HydrophobicContact CD1-CB 4.02Å; L152-L194 HydrophobicContact CD1-CD1 4.07Å; L152-L194 HydrophobicContact CD2-CB 4.37Å; W190-L194 HydrophobicContact CD2-CD1 3.95Å; W190-L194 HydrophobicContact CG-CD1 4.37Å; W190-L194 HydrophobicContact CH2-CD1 4.24Å; W190-L194 HydrophobicContact CZ2-CD1 3.47Å; W190-L194 VanDerWaalsContact CZ2-CD1 3.47Å; W190-L194 VanDerWaalsContact NE1-CD1 3.32Å; W190-L194 WeakPolarHBondContact O-CB 3.4Å; W190-L194 PolarHBondContact O-N 3.32Å; W190-L194 VanDerWaalsContact O-N 3.08Å; L194-T196 PolarHBondContact O-N 3.08Å; L194-V197 PolarHBondContact O-N 3.03Å; L194-V197 VanDerWaalsContact O-N 3.16Å; L194-Y198 HydrophobicContact CB-CD2 4.45Å; L194-Y198 VanDerWaalsContact O-CD2 3.28Å; L194-Y198 WeakPolarHBondContact O-CD2 3.31Å; L194-Y198 PolarHBondContact O-N 3.4Å; L194-L228 HydrophobicContact CD2-CD1 4.14Å; L194-Y231 HydrophobicContact CD1-CD1 3.8Å; L194-Y231 HydrophobicContact CD1-CE1 3.36Å; L194-Y231 HydrophobicContact CD1-CE2 4.42Å; L194-Y231 HydrophobicContact CD1-CG 4.49Å; L194-Y231 HydrophobicContact CD2-CD1 3.77Å; L194-Y231 HydrophobicContact CD2-CE1 3.67Å; L194-Y231 HydrophobicContact CG-CD1 4.46Å; L194-Y231 HydrophobicContact CG-CE1 4.14Å; L194-V232 HydrophobicContact CD2-CG1 4.42Å
195	R	98.8	Very high	98.3	Very high	6 Å²	6	9 Å²	9	2%	0.023	4%	0.043	C	C	.	.	H	α-helix	trans	-60	-37.6	173.1	-172.6	177.7	-56.2	110.8	8.2	111.1	S147 I150 S151 L152 S191 T192 S199 E273	S147-R195 PolarHBondContact O-NH2 3.02Å; S147-R195 PolarHBondContact OG-NH1 2.83Å; S147-R195 PolarHBondContact OG-NH2 3.48Å; I150-R195 PolarHBondContact O-NH2 3.17Å; S151-R195 PolarHBondContact O-NE 2.86Å; S151-R195 VanDerWaalsContact O-NE 3.12Å; L152-R195 HydrophobicContact CD2-CB 4.44Å; S191-R195 WeakPolarHBondContact O-CB 3.26Å; S191-R195 PolarHBondContact O-N 2.72Å; T192-R195 PolarHBondContact O-N 3.18Å; R195-S199 WeakPolarHBondContact O-CB 3.45Å; R195-S199 PolarHBondContact O-N 3.36Å; R195-E273 VanDerWaalsContact CD-CD 3.48Å; R195-E273 WeakPolarHBondContact CD-OE2 3.33Å; R195-E273 HydrophobicContact CG-CG 4.12Å
196	T	98.9	Very high	98.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-60.9	-49.1	173.2	-53	0	0	0	0	111.3	I183 T192 L193 L194 S199 V200 D269 A270 H271 C272	I183-T196 HydrophobicContact CD1-CG2 3.9Å; T192-T196 PolarHBondContact O-N 3.29Å; T192-T196 PolarHBondContact O-OG1 3.31Å; L193-T196 WeakPolarHBondContact O-CB 3.22Å; L193-T196 PolarHBondContact O-N 3.49Å; L194-T196 PolarHBondContact O-N 3.08Å; T196-S199 WeakPolarHBondContact O-CB 3.29Å; T196-S199 PolarHBondContact O-N 3.39Å; T196-V200 WeakPolarHBondContact O-CG2 3.1Å; T196-V200 PolarHBondContact O-N 2.78Å; T196-D269 WeakPolarHBondContact CG2-O 3.22Å; T196-A270 PolarHBondContact OG1-O 2.53Å; T196-A270 VanDerWaalsContact OG1-O 3.12Å; T196-H271 PolarHBondContact OG1-N 3.48Å; T196-C272 VanDerWaalsContact CA-O 3.3Å; T196-C272 WeakPolarHBondContact CA-O 3.49Å; T196-C272 HydrophobicContact CG2-CB 4.01Å; T196-C272 PolarHBondContact OG1-N 3.41Å; T196-C272 PolarHBondContact OG1-O 3.04Å
197	V	98.8	Very high	98.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.4	-50.9	178.5	175.8	0	0	0	0	111.6	I183 L193 L194 S199 V200 L201 I212 L214 L235 V238	I183-V197 HydrophobicContact CD1-CG2 4.41Å; L193-V197 PolarHBondContact O-N 3.31Å; L194-V197 PolarHBondContact O-N 3.03Å; L194-V197 VanDerWaalsContact O-N 3.16Å; V197-S199 VanDerWaalsContact C-N 3.29Å; V197-S199 PolarHBondContact O-N 3.22Å; V197-V200 PolarHBondContact O-N 2.86Å; V197-L201 HydrophobicContact CG1-CD1 4Å; V197-L201 WeakPolarHBondContact O-CG 3.35Å; V197-L201 PolarHBondContact O-N 3.3Å; V197-I212 HydrophobicContact CG1-CD1 4.34Å; V197-L214 HydrophobicContact CG2-CD1 4.09Å; V197-L214 HydrophobicContact CG2-CD2 3.83Å; V197-L214 HydrophobicContact CG2-CG 4.48Å; V197-L235 HydrophobicContact CG1-CD1 3.83Å; V197-V238 HydrophobicContact CG1-CG1 4.44Å; V197-V238 HydrophobicContact CG1-CG2 3.92Å
198	Y	98.6	Very high	98.4	Very high	13 Å²	13	12.3 Å²	12.3	5%	0.051	7%	0.067	C	C	.	.	H	α-helix	trans	-62.3	-38	177.5	-83.3	-67.5	0	0	0	112.1	W103 L152 Q153 L194 V200 L201 H202 Y231 L235	W103-Y198 HydrophobicContact CE3-CE1 4.33Å; W103-Y198 HydrophobicContact CZ3-CE1 4.02Å; L152-Y198 HydrophobicContact CB-CD2 3.93Å; L152-Y198 HydrophobicContact CB-CE2 4.38Å; L152-Y198 HydrophobicContact CD1-CE2 4.3Å; L152-Y198 WeakPolarHBondContact O-CB 3.45Å; Q153-Y198 HydrophobicContact CG-CD1 3.77Å; Q153-Y198 HydrophobicContact CG-CD2 4.29Å; Q153-Y198 HydrophobicContact CG-CE1 4.21Å; Q153-Y198 HydrophobicContact CG-CG 3.83Å; L194-Y198 HydrophobicContact CB-CD2 4.45Å; L194-Y198 VanDerWaalsContact O-CD2 3.28Å; L194-Y198 WeakPolarHBondContact O-CD2 3.31Å; L194-Y198 PolarHBondContact O-N 3.4Å; Y198-V200 VanDerWaalsContact C-N 3.33Å; Y198-V200 PolarHBondContact O-N 3.01Å; Y198-L201 HydrophobicContact CD1-CD1 4.43Å; Y198-L201 PolarHBondContact O-N 2.92Å; Y198-H202 AromaticContact CD1-NE2 3.71Å; Y198-H202 WeakPolarHBondContact O-CB 3.41Å; Y198-H202 PolarHBondContact O-CD2 2.94Å; Y198-H202 VanDerWaalsContact O-CG 3.28Å; Y198-H202 PolarHBondContact O-N 2.77Å; Y198-Y231 HydrophobicContact CE2-CE1 4.2Å; Y198-Y231 WeakPolarHBondContact CE2-OH 3.2Å; Y198-Y231 PolarHBondContact OH-OH 2.04Å; Y198-L235 HydrophobicContact CE1-CD2 4.12Å
199	S	98.8	Very high	98.4	Very high	6 Å²	6	12.5 Å²	12.5	4%	0.042	7%	0.068	C	C	.	.	H	α-helix	trans	-59.9	-44.6	177.1	-168.6	0	0	0	0	111.5	R195 T196 V197 H202 T203 C274	R195-S199 WeakPolarHBondContact O-CB 3.45Å; R195-S199 PolarHBondContact O-N 3.36Å; T196-S199 WeakPolarHBondContact O-CB 3.29Å; T196-S199 PolarHBondContact O-N 3.39Å; V197-S199 VanDerWaalsContact C-N 3.29Å; V197-S199 PolarHBondContact O-N 3.22Å; S199-H202 PolarHBondContact O-N 3.39Å; S199-T203 WeakPolarHBondContact O-CB 3.46Å; S199-T203 WeakPolarHBondContact O-CG2 3.08Å; S199-T203 PolarHBondContact O-N 2.96Å; S199-T203 VanDerWaalsContact O-N 3.16Å; S199-T203 PolarHBondContact O-OG1 3.18Å; S199-C274 PolarHBondContact OG-N 3.26Å; S199-C274 PolarHBondContact OG-O 2.81Å
200	V	98.8	Very high	98.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.7	-51.3	173.2	175.2	0	0	0	0	110.8	V181 T196 V197 Y198 H202 T203 T204 L209 I212 L268 W278	V181-V200 HydrophobicContact CB-CG1 4.48Å; V181-V200 HydrophobicContact CG1-CG1 4.37Å; V181-V200 HydrophobicContact CG1-CG2 4.29Å; V181-V200 HydrophobicContact CG2-CG1 4.04Å; T196-V200 WeakPolarHBondContact O-CG2 3.1Å; T196-V200 PolarHBondContact O-N 2.78Å; V197-V200 PolarHBondContact O-N 2.86Å; Y198-V200 VanDerWaalsContact C-N 3.33Å; Y198-V200 PolarHBondContact O-N 3.01Å; V200-H202 VanDerWaalsContact C-N 3.25Å; V200-H202 PolarHBondContact O-N 2.87Å; V200-T203 PolarHBondContact O-N 3.01Å; V200-T204 VanDerWaalsContact O-CB 3.23Å; V200-T204 WeakPolarHBondContact O-CB 3.4Å; V200-T204 PolarHBondContact O-N 3.24Å; V200-T204 PolarHBondContact O-OG1 2.77Å; V200-T204 VanDerWaalsContact O-OG1 3.13Å; V200-L209 HydrophobicContact CG1-CD1 4.26Å; V200-L209 HydrophobicContact CG1-CD2 4.43Å; V200-I212 HydrophobicContact CB-CD1 4Å; V200-I212 HydrophobicContact CG1-CD1 3.63Å; V200-I212 HydrophobicContact CG1-CG1 4.13Å; V200-L268 HydrophobicContact CG2-CD1 3.66Å; V200-W278 HydrophobicContact CG2-CZ2 4.47Å
201	L	98.3	Very high	98.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-57.9	-36.1	-178.7	-67.1	170	0	0	0	113.2	F102 W103 V197 Y198 L209 I212 L235 V237	F102-L201 HydrophobicContact CD1-CD2 3.66Å; F102-L201 HydrophobicContact CE1-CD2 4.22Å; F102-L201 HydrophobicContact CG-CD2 4.47Å; F102-L201 PolarHBondContact N-O 3.18Å; W103-L201 HydrophobicContact CB-CB 4.45Å; W103-L201 PolarHBondContact N-O 2.77Å; V197-L201 HydrophobicContact CG1-CD1 4Å; V197-L201 WeakPolarHBondContact O-CG 3.35Å; V197-L201 PolarHBondContact O-N 3.3Å; Y198-L201 HydrophobicContact CD1-CD1 4.43Å; Y198-L201 PolarHBondContact O-N 2.92Å; L201-L209 HydrophobicContact CD2-CD2 4.09Å; L201-I212 HydrophobicContact CD2-CD1 3.75Å; L201-I212 HydrophobicContact CG-CD1 3.91Å; L201-L235 HydrophobicContact CD1-CB 4.38Å; L201-L235 HydrophobicContact CD1-CD1 4.23Å; L201-L235 HydrophobicContact CD1-CD2 4.32Å; L201-V237 HydrophobicContact CD2-CG2 3.63Å
202	H	98.2	Very high	98.4	Very high	12 Å²	12	14.9 Å²	14.9	6%	0.056	8%	0.079	C	C	.	.	H	α-helix	trans	-85	-15.4	-178.1	-68.4	-45.6	0	0	0	115	P101 W103 R105 Q153 Y198 S199 V200	P101-H202 VanDerWaalsContact CB-O 3.29Å; P101-H202 WeakPolarHBondContact CB-O 2.82Å; W103-H202 WeakPolarHBondContact O-CA 3.41Å; W103-H202 PolarHBondContact O-ND1 3.3Å; W103-H202 VanDerWaalsContact O-ND1 3.11Å; R105-H202 HydrophobicContact CB-CB 4.34Å; Q153-H202 PolarHBondContact OE1-NE2 3.3Å; Y198-H202 AromaticContact CD1-NE2 3.71Å; Y198-H202 WeakPolarHBondContact O-CB 3.41Å; Y198-H202 PolarHBondContact O-CD2 2.94Å; Y198-H202 VanDerWaalsContact O-CG 3.28Å; Y198-H202 PolarHBondContact O-N 2.77Å; S199-H202 PolarHBondContact O-N 3.39Å; V200-H202 VanDerWaalsContact C-N 3.25Å; V200-H202 PolarHBondContact O-N 2.87Å
203	T	98.1	Very high	98.5	Very high	15 Å²	15	14.8 Å²	14.8	9%	0.092	8%	0.078	C	C	.	.	H	α-helix	trans	-121.7	-8.2	-172.6	61.5	0	0	0	0	113.6	S199 V200 C274 W278	S199-T203 WeakPolarHBondContact O-CB 3.46Å; S199-T203 WeakPolarHBondContact O-CG2 3.08Å; S199-T203 PolarHBondContact O-N 2.96Å; S199-T203 VanDerWaalsContact O-N 3.16Å; S199-T203 PolarHBondContact O-OG1 3.18Å; V200-T203 PolarHBondContact O-N 3.01Å; T203-C274 HydrophobicContact CG2-CB 4.47Å; T203-C274 VanDerWaalsContact OG1-CB 3.25Å; T203-C274 WeakPolarHBondContact OG1-CB 3.27Å; T203-W278 PolarHBondContact OG1-NE1 2.96Å
204	T	98.3	Very high	98.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	-99.8	127.3	178.2	-62.5	0	0	0	0	111.5	P101 F102 V200 A206 L209 W278 L279	P101-T204 CarbonylContact C-O 3.49Å; P101-T204 VanDerWaalsContact CA-O 3.24Å; P101-T204 WeakPolarHBondContact CA-O 3.43Å; F102-T204 PolarHBondContact N-O 3.14Å; V200-T204 VanDerWaalsContact O-CB 3.23Å; V200-T204 WeakPolarHBondContact O-CB 3.4Å; V200-T204 PolarHBondContact O-N 3.24Å; V200-T204 PolarHBondContact O-OG1 2.77Å; V200-T204 VanDerWaalsContact O-OG1 3.13Å; T204-A206 PolarHBondContact O-N 2.69Å; T204-L209 HydrophobicContact CG2-CB 3.7Å; T204-L209 HydrophobicContact CG2-CD1 4.27Å; T204-L209 HydrophobicContact CG2-CG 4.38Å; T204-W278 PolarHBondContact OG1-NE1 3.1Å; T204-L279 HydrophobicContact CG2-CD2 3.32Å
205	P	98.3	Very high	98.5	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-54.8	134.6	174.2	-29.6	37.3	0	0	0	113.9	L99 K100 I207 L208 L209 E280	L99-P205 HydrophobicContact CB-CB 4.43Å; L99-P205 HydrophobicContact CB-CG 4.2Å; L99-P205 HydrophobicContact CD2-CB 4.12Å; L99-P205 HydrophobicContact CD2-CG 4.09Å; K100-P205 CarbonylContact O-C 3.57Å; K100-P205 VanDerWaalsContact O-CA 3.28Å; K100-P205 WeakPolarHBondContact O-CA 3.45Å; P205-I207 HydrophobicContact CB-CG1 4.49Å; P205-I207 PolarHBondContact O-N 2.9Å; P205-L208 HydrophobicContact CB-CB 4.37Å; P205-L208 HydrophobicContact CB-CD1 3.95Å; P205-L208 HydrophobicContact CB-CG 3.99Å; P205-L208 HydrophobicContact CG-CD1 3.94Å; P205-L208 PolarHBondContact O-N 3.33Å; P205-L209 PolarHBondContact O-N 3.23Å; P205-L209 VanDerWaalsContact O-N 3.14Å; P205-E280 HydrophobicContact CG-CG 3.99Å
206	A	97.4	Very high	98.5	Very high	44 Å²	44	14.5 Å²	14.5	36%	0.364	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-36.5	-175.5	0	0	0	0	0	113	K100 F102 T204 L208	K100-A206 PolarHBondContact O-N 3.09Å; F102-A206 HydrophobicContact CB-CB 4.43Å; F102-A206 HydrophobicContact CD2-CB 4.1Å; T204-A206 PolarHBondContact O-N 2.69Å; A206-L208 PolarHBondContact O-N 3.22Å
207	I	97.4	Very high	98.4	Very high	83 Å²	83	14.8 Å²	14.8	43%	0.426	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-16.5	179.7	66.8	172.8	0	0	0	113.4	Y94 E98 L99 P205	Y94-I207 HydrophobicContact CD1-CD1 3.89Å; Y94-I207 HydrophobicContact CE1-CD1 3.74Å; E98-I207 HydrophobicContact CB-CD1 4.33Å; E98-I207 WeakPolarHBondContact O-CD1 3.14Å; L99-I207 HydrophobicContact CD2-CD1 4.25Å; P205-I207 HydrophobicContact CB-CG1 4.49Å; P205-I207 PolarHBondContact O-N 2.9Å
208	L	98.4	Very high	98.3	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.01	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-27	-177.1	-54.9	-179.2	0	0	0	112.1	L99 L176 T178 T179 P205 A206 K210 L279 E280 L283	L99-L208 HydrophobicContact CD2-CD1 4.33Å; L176-L208 HydrophobicContact CB-CD1 4.47Å; L176-L208 HydrophobicContact CB-CD2 3.58Å; L176-L208 HydrophobicContact CD1-CD1 3.94Å; L176-L208 HydrophobicContact CD1-CD2 4.37Å; T178-L208 CarbonylContact C-O 3.27Å; T178-L208 WeakPolarHBondContact CA-O 3.21Å; T179-L208 PolarHBondContact N-O 3.3Å; P205-L208 HydrophobicContact CB-CB 4.37Å; P205-L208 HydrophobicContact CB-CD1 3.95Å; P205-L208 HydrophobicContact CB-CG 3.99Å; P205-L208 HydrophobicContact CG-CD1 3.94Å; P205-L208 PolarHBondContact O-N 3.33Å; A206-L208 PolarHBondContact O-N 3.22Å; L208-K210 PolarHBondContact O-N 3.43Å; L208-L279 HydrophobicContact CB-CD2 4.24Å; L208-E280 HydrophobicContact CD1-CG 4.1Å; L208-L283 HydrophobicContact CB-CD1 4.04Å; L208-L283 HydrophobicContact CD1-CD1 3.94Å; L208-L283 HydrophobicContact CD2-CD1 4.5Å; L208-L283 HydrophobicContact CG-CD1 4.36Å
209	L	98.5	Very high	98.3	Very high	10 Å²	10	15.3 Å²	15.3	5%	0.052	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	105.9	179.2	-171.4	59.9	0	0	0	111.3	F102 V181 V200 L201 T204 P205 I212 V237	F102-L209 HydrophobicContact CB-CD2 4.19Å; F102-L209 HydrophobicContact CG-CD2 4.29Å; V181-L209 HydrophobicContact CB-CD1 4.49Å; V181-L209 HydrophobicContact CG2-CD1 3.75Å; V200-L209 HydrophobicContact CG1-CD1 4.26Å; V200-L209 HydrophobicContact CG1-CD2 4.43Å; L201-L209 HydrophobicContact CD2-CD2 4.09Å; T204-L209 HydrophobicContact CG2-CB 3.7Å; T204-L209 HydrophobicContact CG2-CD1 4.27Å; T204-L209 HydrophobicContact CG2-CG 4.38Å; P205-L209 PolarHBondContact O-N 3.23Å; P205-L209 VanDerWaalsContact O-N 3.14Å; L209-I212 HydrophobicContact CD1-CG1 4.03Å; L209-I212 HydrophobicContact CD2-CD1 4.25Å; L209-I212 HydrophobicContact CD2-CG1 4.24Å; L209-V237 HydrophobicContact CD2-CG2 4.26Å
210	K	98.4	Very high	98.1	Very high	105 Å²	105	20.1 Å²	20.1	46%	0.457	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-46.7	174	-176.3	61	176	179.7	0	111.5	T179 L208 A262	T179-K210 WeakPolarHBondContact O-CB 3.48Å; T179-K210 PolarHBondContact O-N 2.9Å; L208-K210 PolarHBondContact O-N 3.43Å; K210-A262 HydrophobicContact CB-CB 3.76Å; K210-A262 HydrophobicContact CG-CB 4.11Å
211	E	98.5	Very high	98	Very high	13 Å²	13	22.2 Å²	22.2	6%	0.061	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	159.3	-174.6	59.2	-170.1	159.5	0	0	111.5	S180 V181 I213 V237 K239 A260 Q261	S180-E211 WeakPolarHBondContact OG-CG 3.42Å; S180-E211 PolarHBondContact OG-OE1 2.83Å; V181-E211 PolarHBondContact N-O 3.29Å; E211-I213 HydrophobicContact CG-CD1 4.16Å; E211-I213 HydrophobicContact CG-CG1 4.01Å; E211-V237 CarbonylContact C-O 3.57Å; E211-V237 WeakPolarHBondContact CA-O 3.29Å; E211-K239 IonicContact OE1-NZ 2.87Å; E211-K239 WeakPolarHBondContact OE2-CE 3.37Å; E211-K239 IonicContact OE2-NZ 2.77Å; E211-K239 PolarHBondContact OE2-NZ 3.39Å; E211-A260 WeakPolarHBondContact OE1-CA 3.25Å; E211-Q261 WeakPolarHBondContact OE1-CB 2.99Å; E211-Q261 PolarHBondContact OE1-N 3.13Å
212	I	98.8	Very high	97.9	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.7	167.3	-55.9	178	0	0	0	107.9	V181 I183 V197 V200 L201 L209 L214 V237 V238 K239	V181-I212 HydrophobicContact CB-CG1 4.34Å; V181-I212 CarbonylContact O-C 3.52Å; V181-I212 WeakPolarHBondContact O-CA 3.02Å; I183-I212 HydrophobicContact CD1-CG2 3.96Å; V197-I212 HydrophobicContact CG1-CD1 4.34Å; V200-I212 HydrophobicContact CB-CD1 4Å; V200-I212 HydrophobicContact CG1-CD1 3.63Å; V200-I212 HydrophobicContact CG1-CG1 4.13Å; L201-I212 HydrophobicContact CD2-CD1 3.75Å; L201-I212 HydrophobicContact CG-CD1 3.91Å; L209-I212 HydrophobicContact CD1-CG1 4.03Å; L209-I212 HydrophobicContact CD2-CD1 4.25Å; L209-I212 HydrophobicContact CD2-CG1 4.24Å; I212-L214 HydrophobicContact CG2-CD2 4.1Å; I212-V237 PolarHBondContact N-O 2.86Å; I212-V238 HydrophobicContact CB-CG1 4.4Å; I212-V238 HydrophobicContact CB-CG2 4.16Å; I212-V238 HydrophobicContact CD1-CG2 4.18Å; I212-V238 HydrophobicContact CG2-CG1 4.4Å; I212-V238 CarbonylContact O-C 3.57Å; I212-V238 WeakPolarHBondContact O-CA 3.26Å; I212-K239 PolarHBondContact O-N 2.91Å
213	I	98.9	Very high	97.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	105.2	-176.3	-41.4	-169.6	0	0	0	108.1	V181 I182 I183 E211 V215 K239 V241 V259 A260	V181-I213 PolarHBondContact O-N 2.78Å; I182-I213 WeakPolarHBondContact CA-O 3.44Å; I182-I213 HydrophobicContact CG1-CB 4.26Å; I182-I213 HydrophobicContact CG1-CD1 4.18Å; I182-I213 HydrophobicContact CG1-CG1 4.36Å; I183-I213 PolarHBondContact N-O 2.88Å; E211-I213 HydrophobicContact CG-CD1 4.16Å; E211-I213 HydrophobicContact CG-CG1 4.01Å; I213-V215 HydrophobicContact CG2-CG2 4.07Å; I213-K239 HydrophobicContact CB-CG 4.44Å; I213-K239 VanDerWaalsContact CD1-CE 3.46Å; I213-K239 VanDerWaalsContact CG1-CE 3.49Å; I213-K239 HydrophobicContact CG1-CG 4.38Å; I213-K239 HydrophobicContact CG2-CG 4.21Å; I213-V241 HydrophobicContact CG2-CG2 3.7Å; I213-V259 HydrophobicContact CD1-CG2 4.22Å; I213-V259 HydrophobicContact CG2-CG2 4.08Å; I213-A260 HydrophobicContact CD1-CB 3.83Å
214	L	98.9	Very high	97.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	114.5	173	-58.7	-173.1	0	0	0	108.8	I183 F185 L193 V197 I212 V232 V238 K239 V240 V241	I183-L214 HydrophobicContact CB-CD2 3.73Å; I183-L214 HydrophobicContact CD1-CD2 3.89Å; I183-L214 HydrophobicContact CG1-CD2 4.31Å; I183-L214 HydrophobicContact CG2-CD2 4.18Å; I183-L214 CarbonylContact O-C 3.48Å; I183-L214 WeakPolarHBondContact O-CA 3.39Å; F185-L214 HydrophobicContact CD1-CB 4.44Å; F185-L214 HydrophobicContact CE1-CB 3.91Å; L193-L214 HydrophobicContact CD1-CD2 4.4Å; V197-L214 HydrophobicContact CG2-CD1 4.09Å; V197-L214 HydrophobicContact CG2-CD2 3.83Å; V197-L214 HydrophobicContact CG2-CG 4.48Å; I212-L214 HydrophobicContact CG2-CD2 4.1Å; L214-V232 HydrophobicContact CD1-CG1 4.19Å; L214-V238 HydrophobicContact CD1-CG1 3.87Å; L214-V238 HydrophobicContact CG-CG1 3.95Å; L214-K239 PolarHBondContact N-O 3.18Å; L214-V240 HydrophobicContact CB-CG2 4.4Å; L214-V240 HydrophobicContact CD1-CG2 4.48Å; L214-V240 CarbonylContact O-C 3.55Å; L214-V240 WeakPolarHBondContact O-CA 3.2Å; L214-V241 PolarHBondContact O-N 2.88Å
215	V	98.8	Very high	97.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	111.2	178.6	-169	0	0	0	0	109.7	I182 I183 V184 F185 I213 D217 V241 A252 L255	I182-V215 HydrophobicContact CG2-CG2 4.22Å; I183-V215 PolarHBondContact O-N 3.3Å; V184-V215 WeakPolarHBondContact CA-O 3.12Å; V184-V215 HydrophobicContact CG2-CB 4.19Å; F185-V215 WeakPolarHBondContact CD1-O 3.5Å; F185-V215 PolarHBondContact N-O 3.49Å; I213-V215 HydrophobicContact CG2-CG2 4.07Å; V215-D217 PolarHBondContact O-N 3.27Å; V215-V241 CarbonylContact C-O 3.47Å; V215-V241 WeakPolarHBondContact CA-O 3.45Å; V215-V241 HydrophobicContact CG2-CB 4.43Å; V215-A252 HydrophobicContact CG1-CB 3.85Å; V215-L255 HydrophobicContact CG1-CD2 4.07Å; V215-L255 HydrophobicContact CG1-CG 4.43Å
216	D	98.6	Very high	97.6	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	109.3	174	-177.5	16.9	0	0	0	110.1	F185 A218 S219 K225 V241 R242 Q243	F185-D216 HydrophobicContact CE1-CB 3.93Å; F185-D216 HydrophobicContact CE2-CB 3.91Å; F185-D216 HydrophobicContact CZ-CB 3.46Å; F185-D216 VanDerWaalsContact CZ-CB 3.46Å; D216-A218 PolarHBondContact O-N 3.08Å; D216-S219 WeakPolarHBondContact OD1-CA 3.23Å; D216-S219 WeakPolarHBondContact OD1-CB 3.42Å; D216-S219 PolarHBondContact OD1-N 2.84Å; D216-S219 PolarHBondContact OD1-OG 3.04Å; D216-K225 IonicContact OD2-NZ 3.7Å; D216-K225 PolarHBondContact OD2-NZ 3.08Å; D216-V241 PolarHBondContact N-O 3.4Å; D216-R242 VanDerWaalsContact CG-NH1 3.3Å; D216-R242 IonicContact OD2-CZ 3.94Å; D216-R242 IonicContact OD2-NH1 2.76Å; D216-R242 PolarHBondContact OD2-NH1 3.12Å; D216-Q243 VanDerWaalsContact O-CB 3.31Å; D216-Q243 WeakPolarHBondContact O-CB 3.44Å; D216-Q243 PolarHBondContact O-N 3.07Å
217	D	97.7	Very high	97.6	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.032	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	67.9	171.5	-180	30.1	0	0	0	110.5	V184 F185 H186 V215 S219 Q243 R246 K247 G248 A252	V184-D217 HydrophobicContact CG1-CB 4.48Å; F185-D217 PolarHBondContact O-N 3.43Å; H186-D217 HydrophobicContact CB-CB 4.34Å; H186-D217 PolarHBondContact ND1-O 3.21Å; V215-D217 PolarHBondContact O-N 3.27Å; D217-S219 PolarHBondContact O-N 3.45Å; D217-Q243 PolarHBondContact OD1-NE2 2.98Å; D217-R246 WeakPolarHBondContact OD1-CA 3.41Å; D217-K247 PolarHBondContact OD1-N 3.42Å; D217-G248 PolarHBondContact OD1-N 3.03Å; D217-G248 WeakPolarHBondContact OD2-CA 3.37Å; D217-G248 PolarHBondContact OD2-N 3.32Å; D217-A252 HydrophobicContact CB-CB 4.15Å
218	A	97.2	Very high	97.7	Very high	18 Å²	18	38.6 Å²	38.6	15%	0.149	19%	0.187	C	C	.	.	S	Bend	trans	50.4	51.6	177.1	0	0	0	0	0	114.5	H186 D216 Q243 E245 R246	H186-A218 PolarHBondContact CE1-O 3.05Å; D216-A218 PolarHBondContact O-N 3.08Å; A218-Q243 PolarHBondContact N-O 3.38Å; A218-E245 VanDerWaalsContact CB-C 3.49Å; A218-R246 HydrophobicContact CB-CB 4.02Å
219	S	97.6	Very high	97.5	Very high	5 Å²	5	41.7 Å²	41.7	4%	0.035	20%	0.202	C	C	.	.			trans	-58.4	150.8	171.1	-61.2	0	0	0	0	111.3	H186 N187 D216 D217 K225	H186-S219 WeakPolarHBondContact CA-OG 3.35Å; N187-S219 PolarHBondContact N-OG 2.93Å; N187-S219 WeakPolarHBondContact OD1-CA 3.18Å; N187-S219 VanDerWaalsContact OD1-CB 3.31Å; N187-S219 WeakPolarHBondContact OD1-CB 3.29Å; D216-S219 WeakPolarHBondContact OD1-CA 3.23Å; D216-S219 WeakPolarHBondContact OD1-CB 3.42Å; D216-S219 PolarHBondContact OD1-N 2.84Å; D216-S219 PolarHBondContact OD1-OG 3.04Å; D217-S219 PolarHBondContact O-N 3.45Å; S219-K225 WeakPolarHBondContact O-CE 3.42Å; S219-K225 PolarHBondContact O-NZ 3.39Å
220	T	96.1	Very high	97.5	Very high	107 Å²	107	47.2 Å²	47.2	66%	0.656	23%	0.227	S	C	*	.			trans	-105	-11.5	178.3	53.3	0	0	0	0	112.9	N187	N187-T220 PolarHBondContact ND2-OG1 2.04Å; N187-T220 VanDerWaalsContact ND2-OG1 3.08Å; N187-T220 PolarHBondContact OD1-N 2.89Å; N187-T220 PolarHBondContact OD1-OG1 3.36Å
221	E	95.6	Very high	97.4	Very high	44 Å²	44	45.1 Å²	45.1	21%	0.206	22%	0.217	C	C	.	.			trans	-77.7	128.6	-177.3	-60.1	-65.3	154	0	0	112.4	K139 N187 H223 L224	K139-E221 VanDerWaalsContact CE-CD 3.41Å; K139-E221 WeakPolarHBondContact CE-OE1 3.35Å; K139-E221 IonicContact NZ-OE1 2.74Å; K139-E221 PolarHBondContact NZ-OE1 3.34Å; K139-E221 IonicContact NZ-OE2 3.67Å; K139-E221 PolarHBondContact NZ-OE2 3.08Å; N187-E221 HydrophobicContact CB-CG 4.28Å; E221-H223 VanDerWaalsContact C-N 3.31Å; E221-H223 VanDerWaalsContact CB-CE1 3.45Å; E221-H223 WeakPolarHBondContact CB-CE1 3.4Å; E221-H223 PolarHBondContact O-N 3.45Å; E221-H223 IonicContact OE2-CE1 2.66Å; E221-L224 HydrophobicContact CB-CD1 4.02Å; E221-L224 HydrophobicContact CB-CG 4.15Å; E221-L224 HydrophobicContact CG-CD1 4.45Å; E221-L224 WeakPolarHBondContact O-CB 3.48Å; E221-L224 PolarHBondContact O-N 3.15Å
222	E	96.7	Very high	97.3	Very high	142 Å²	142	44.7 Å²	44.7	66%	0.664	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-61.3	-37.1	-175.3	-169.3	55.2	-139.2	0	0	112.8	L224 K225	E222-L224 PolarHBondContact O-N 2.91Å; E222-L224 VanDerWaalsContact O-N 3.11Å; E222-K225 PolarHBondContact O-N 2.86Å
223	H	96.5	Very high	97.1	Very high	44 Å²	44	52 Å²	52	20%	0.204	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-63.7	-20.2	178.1	65.3	-94.8	0	0	0	113.1	E188 W190 E221 K227 L228	E188-H223 PolarHBondContact O-NE2 3.48Å; W190-H223 HydrophobicContact CE3-CB 4.24Å; W190-H223 AromaticContact CE3-CD2 3.94Å; W190-H223 VanDerWaalsContact CZ3-O 3.23Å; W190-H223 WeakPolarHBondContact CZ3-O 3.4Å; E221-H223 VanDerWaalsContact C-N 3.31Å; E221-H223 VanDerWaalsContact CB-CE1 3.45Å; E221-H223 WeakPolarHBondContact CB-CE1 3.4Å; E221-H223 PolarHBondContact O-N 3.45Å; E221-H223 IonicContact OE2-CE1 2.66Å; H223-K227 HydrophobicContact CB-CD 4.3Å; H223-L228 PolarHBondContact O-N 3.34Å
224	L	97.8	Very high	96.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-87.5	-6.5	177.9	-63.2	177.6	0	0	0	112.9	F185 L193 E221 E222 L228 R242	F185-L224 HydrophobicContact CD2-CD1 4.1Å; F185-L224 HydrophobicContact CD2-CD2 4.38Å; F185-L224 HydrophobicContact CE2-CB 4.12Å; F185-L224 HydrophobicContact CE2-CD1 4.03Å; F185-L224 HydrophobicContact CE2-CD2 4.05Å; F185-L224 HydrophobicContact CE2-CG 4.28Å; L193-L224 HydrophobicContact CD2-CD2 3.72Å; E221-L224 HydrophobicContact CB-CD1 4.02Å; E221-L224 HydrophobicContact CB-CG 4.15Å; E221-L224 HydrophobicContact CG-CD1 4.45Å; E221-L224 WeakPolarHBondContact O-CB 3.48Å; E221-L224 PolarHBondContact O-N 3.15Å; E222-L224 PolarHBondContact O-N 2.91Å; E222-L224 VanDerWaalsContact O-N 3.11Å; L224-L228 HydrophobicContact CD2-CD2 4.33Å; L224-R242 PolarHBondContact O-NH1 3.28Å; L224-R242 PolarHBondContact O-NH2 3.15Å
225	K	96.4	Very high	96.5	Very high	59 Å²	59	57.4 Å²	57.4	26%	0.257	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-124.1	-178.9	-58	-55.6	-178.6	-176.6	0	111.3	D216 S219 E222 K227 L228 E229 R242	D216-K225 IonicContact OD2-NZ 3.7Å; D216-K225 PolarHBondContact OD2-NZ 3.08Å; S219-K225 WeakPolarHBondContact O-CE 3.42Å; S219-K225 PolarHBondContact O-NZ 3.39Å; E222-K225 PolarHBondContact O-N 2.86Å; K225-K227 PolarHBondContact O-N 2.87Å; K225-L228 PolarHBondContact O-N 2.86Å; K225-L228 VanDerWaalsContact O-N 3.13Å; K225-E229 PolarHBondContact O-N 2.96Å; K225-R242 PolarHBondContact O-NH2 2.93Å
226	E	96.3	Very high	96.1	Very high	130 Å²	130	65.2 Å²	65.2	61%	0.607	31%	0.309	S	S	*	.	H	α-helix	trans	-58	-36.2	-175.1	-63.1	-174.8	178.3	0	0	112.3	L228 E229 Q230	E226-L228 VanDerWaalsContact C-N 3.32Å; E226-L228 PolarHBondContact O-N 2.94Å; E226-E229 PolarHBondContact O-N 3.02Å; E226-Q230 WeakPolarHBondContact O-CB 3.38Å; E226-Q230 VanDerWaalsContact O-CG 3.32Å; E226-Q230 WeakPolarHBondContact O-CG 3.22Å; E226-Q230 PolarHBondContact O-N 2.83Å
227	K	97.5	Very high	96	Very high	124 Å²	124	66.5 Å²	66.5	54%	0.539	32%	0.317	S	S	.	.	H	α-helix	trans	-58.1	-42.4	178.3	-174.9	179.3	179.3	179.8	0	112.4	W190 H223 K225 Y231	W190-K227 HydrophobicContact CH2-CD 4.4Å; W190-K227 HydrophobicContact CH2-CG 4Å; W190-K227 HydrophobicContact CZ3-CD 4.38Å; W190-K227 HydrophobicContact CZ3-CG 4.15Å; H223-K227 HydrophobicContact CB-CD 4.3Å; K225-K227 PolarHBondContact O-N 2.87Å; K227-Y231 VanDerWaalsContact O-CB 3.3Å; K227-Y231 WeakPolarHBondContact O-CB 3.1Å; K227-Y231 PolarHBondContact O-N 3.17Å
228	L	98.1	Very high	96	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-67	-46	177.6	179.2	64.1	0	0	0	110.9	F185 W190 L193 L194 H223 L224 K225 E226 Q230 Y231 V232 V240	F185-L228 HydrophobicContact CE1-CD2 4.32Å; F185-L228 HydrophobicContact CE2-CD2 4.12Å; F185-L228 HydrophobicContact CZ-CD2 3.58Å; W190-L228 HydrophobicContact CZ3-CB 4.11Å; W190-L228 HydrophobicContact CZ3-CD1 4.05Å; L193-L228 HydrophobicContact CD2-CD1 4.12Å; L193-L228 HydrophobicContact CD2-CD2 3.89Å; L194-L228 HydrophobicContact CD2-CD1 4.14Å; H223-L228 PolarHBondContact O-N 3.34Å; L224-L228 HydrophobicContact CD2-CD2 4.33Å; K225-L228 PolarHBondContact O-N 2.86Å; K225-L228 VanDerWaalsContact O-N 3.13Å; E226-L228 VanDerWaalsContact C-N 3.32Å; E226-L228 PolarHBondContact O-N 2.94Å; L228-Q230 VanDerWaalsContact C-N 3.35Å; L228-Q230 PolarHBondContact O-N 2.95Å; L228-Y231 PolarHBondContact O-N 3.41Å; L228-V232 HydrophobicContact CD1-CG1 3.92Å; L228-V232 HydrophobicContact CG-CG1 4.45Å; L228-V232 WeakPolarHBondContact O-CG1 3.44Å; L228-V232 WeakPolarHBondContact O-CG2 3.12Å; L228-V232 PolarHBondContact O-N 2.8Å; L228-V240 HydrophobicContact CG-CG2 4.45Å
229	E	95.6	Very high	96	Very high	68 Å²	68	68.7 Å²	68.7	32%	0.318	32%	0.324	S	S	.	.	H	α-helix	trans	-59.9	-44.6	178.8	-79.8	169	-151.1	0	0	112.3	K225 E226 K233 V240 R242	K225-E229 PolarHBondContact O-N 2.96Å; E226-E229 PolarHBondContact O-N 3.02Å; E229-K233 VanDerWaalsContact O-CG 3.32Å; E229-K233 WeakPolarHBondContact O-CG 3.26Å; E229-K233 PolarHBondContact O-N 3.38Å; E229-V240 HydrophobicContact CG-CB 4Å; E229-V240 HydrophobicContact CG-CG1 4.38Å; E229-V240 HydrophobicContact CG-CG2 4.01Å; E229-R242 IonicContact OE1-CZ 3.43Å; E229-R242 VanDerWaalsContact OE1-CZ 3.24Å; E229-R242 IonicContact OE1-NE 3.76Å; E229-R242 PolarHBondContact OE1-NE 3.49Å; E229-R242 IonicContact OE1-NH2 3.14Å; E229-R242 PolarHBondContact OE1-NH2 3.27Å
230	Q	96.5	Very high	96	Very high	125 Å²	125	70 Å²	70	58%	0.584	33%	0.331	S	S	*	.	H	α-helix	trans	-63.6	-42.4	175.8	-69.5	175.7	10.2	0	0	111.4	E226 L228	E226-Q230 WeakPolarHBondContact O-CB 3.38Å; E226-Q230 VanDerWaalsContact O-CG 3.32Å; E226-Q230 WeakPolarHBondContact O-CG 3.22Å; E226-Q230 PolarHBondContact O-N 2.83Å; L228-Q230 VanDerWaalsContact C-N 3.35Å; L228-Q230 PolarHBondContact O-N 2.95Å
231	Y	97.3	Very high	96.1	Very high	61 Å²	61	66.1 Å²	66.1	24%	0.239	31%	0.307	C	S	.	.	H	α-helix	trans	-64.1	-42.7	179.8	-175.3	-89.3	0	0	0	112.8	W190 L194 Y198 K227 L228 Q234	W190-Y231 HydrophobicContact CH2-CD1 4.44Å; W190-Y231 HydrophobicContact CH2-CD2 4.22Å; W190-Y231 AromaticContact CH2-CG 3.89Å; W190-Y231 HydrophobicContact CH2-CG 3.89Å; W190-Y231 HydrophobicContact CZ2-CD1 4.33Å; W190-Y231 AromaticContact CZ2-CD2 3.85Å; W190-Y231 HydrophobicContact CZ2-CD2 3.85Å; W190-Y231 HydrophobicContact CZ2-CE2 4.25Å; W190-Y231 AromaticContact CZ2-CG 3.88Å; W190-Y231 HydrophobicContact CZ2-CG 3.88Å; L194-Y231 HydrophobicContact CD1-CD1 3.8Å; L194-Y231 HydrophobicContact CD1-CE1 3.36Å; L194-Y231 HydrophobicContact CD1-CE2 4.42Å; L194-Y231 HydrophobicContact CD1-CG 4.49Å; L194-Y231 HydrophobicContact CD2-CD1 3.77Å; L194-Y231 HydrophobicContact CD2-CE1 3.67Å; L194-Y231 HydrophobicContact CG-CD1 4.46Å; L194-Y231 HydrophobicContact CG-CE1 4.14Å; Y198-Y231 HydrophobicContact CE2-CE1 4.2Å; Y198-Y231 WeakPolarHBondContact CE2-OH 3.2Å; Y198-Y231 PolarHBondContact OH-OH 2.04Å; K227-Y231 VanDerWaalsContact O-CB 3.3Å; K227-Y231 WeakPolarHBondContact O-CB 3.1Å; K227-Y231 PolarHBondContact O-N 3.17Å; L228-Y231 PolarHBondContact O-N 3.41Å; Y231-Q234 VanDerWaalsContact O-CG 3.26Å; Y231-Q234 WeakPolarHBondContact O-CG 3.37Å; Y231-Q234 PolarHBondContact O-NE2 3.26Å
232	V	96.8	Very high	96.2	Very high	4 Å²	4	67.2 Å²	67.2	2%	0.024	31%	0.309	C	S	.	.	H	α-helix	trans	-80.6	-16.3	-175	-57.6	0	0	0	0	113.8	L194 L214 L228 Q234 L235 V238 V240	L194-V232 HydrophobicContact CD2-CG1 4.42Å; L214-V232 HydrophobicContact CD1-CG1 4.19Å; L228-V232 HydrophobicContact CD1-CG1 3.92Å; L228-V232 HydrophobicContact CG-CG1 4.45Å; L228-V232 WeakPolarHBondContact O-CG1 3.44Å; L228-V232 WeakPolarHBondContact O-CG2 3.12Å; L228-V232 PolarHBondContact O-N 2.8Å; V232-Q234 PolarHBondContact O-N 3.47Å; V232-L235 HydrophobicContact CB-CD1 4.32Å; V232-L235 HydrophobicContact CG1-CD1 4.29Å; V232-L235 VanDerWaalsContact O-CB 3.32Å; V232-L235 WeakPolarHBondContact O-CB 3.13Å; V232-L235 PolarHBondContact O-N 3Å; V232-V238 HydrophobicContact CB-CB 4.11Å; V232-V238 HydrophobicContact CB-CG1 3.83Å; V232-V238 HydrophobicContact CG1-CG1 4.09Å; V232-V238 HydrophobicContact CG2-CG1 4.23Å; V232-V240 HydrophobicContact CG2-CG2 3.68Å
233	K	93.6	Very high	96.2	Very high	155 Å²	155	61.2 Å²	61.2	67%	0.674	28%	0.281	S	S	*	.	H	α-helix	trans	-54	-36.2	175	-83.4	172.2	-172.7	-179.2	0	112.8	E229 L235 Q236	E229-K233 VanDerWaalsContact O-CG 3.32Å; E229-K233 WeakPolarHBondContact O-CG 3.26Å; E229-K233 PolarHBondContact O-N 3.38Å; K233-L235 PolarHBondContact O-N 2.74Å; K233-Q236 PolarHBondContact O-N 3.37Å
234	Q	93.1	Very high	96.1	Very high	112 Å²	112	68.1 Å²	68.1	52%	0.523	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-17	178.2	78.3	-163.6	-29.9	0	0	113.5	Y231 V232 Q236	Y231-Q234 VanDerWaalsContact O-CG 3.26Å; Y231-Q234 WeakPolarHBondContact O-CG 3.37Å; Y231-Q234 PolarHBondContact O-NE2 3.26Å; V232-Q234 PolarHBondContact O-N 3.47Å; Q234-Q236 VanDerWaalsContact C-N 3.29Å
235	L	93.4	Very high	95.9	Very high	0 Å²	0	74 Å²	74	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-3.8	-179.1	-52.5	179.8	0	0	0	112.7	W103 V197 Y198 L201 V232 K233 V237 V238	W103-L235 HydrophobicContact CH2-CD2 3.43Å; W103-L235 VanDerWaalsContact CH2-CD2 3.43Å; W103-L235 HydrophobicContact CZ2-CD2 4.08Å; W103-L235 HydrophobicContact CZ3-CD2 3.84Å; V197-L235 HydrophobicContact CG1-CD1 3.83Å; Y198-L235 HydrophobicContact CE1-CD2 4.12Å; L201-L235 HydrophobicContact CD1-CB 4.38Å; L201-L235 HydrophobicContact CD1-CD1 4.23Å; L201-L235 HydrophobicContact CD1-CD2 4.32Å; V232-L235 HydrophobicContact CB-CD1 4.32Å; V232-L235 HydrophobicContact CG1-CD1 4.29Å; V232-L235 VanDerWaalsContact O-CB 3.32Å; V232-L235 WeakPolarHBondContact O-CB 3.13Å; V232-L235 PolarHBondContact O-N 3Å; K233-L235 PolarHBondContact O-N 2.74Å; L235-V237 PolarHBondContact O-N 2.98Å; L235-V238 HydrophobicContact CB-CB 4.14Å; L235-V238 HydrophobicContact CB-CG2 3.56Å; L235-V238 HydrophobicContact CD1-CG2 3.97Å; L235-V238 HydrophobicContact CG-CG2 4.42Å
236	Q	90.2	Very high	95.8	Very high	164 Å²	164	73.8 Å²	73.8	77%	0.766	34%	0.339	S	S	*	.	S	Bend	trans	60.8	-53.5	174.3	-60.9	-175.7	-28.6	0	0	116.9	K233 Q234 V238	K233-Q236 PolarHBondContact O-N 3.37Å; Q234-Q236 VanDerWaalsContact C-N 3.29Å; Q236-V238 VanDerWaalsContact C-N 3.32Å
237	V	95.9	Very high	95.6	Very high	28 Å²	28	72.3 Å²	72.3	17%	0.17	33%	0.33	C	S	.	.	S	Bend	trans	-88.6	2.4	-178	-66.3	0	0	0	0	113.3	F102 L201 L209 E211 I212 L235	F102-V237 HydrophobicContact CD1-CG2 4.05Å; F102-V237 HydrophobicContact CE1-CB 4.42Å; F102-V237 HydrophobicContact CE1-CG1 3.97Å; F102-V237 HydrophobicContact CE1-CG2 3.58Å; F102-V237 HydrophobicContact CE2-CG1 3.65Å; F102-V237 HydrophobicContact CE2-CG2 4.46Å; F102-V237 HydrophobicContact CZ-CB 4.21Å; F102-V237 HydrophobicContact CZ-CG1 3.3Å; F102-V237 HydrophobicContact CZ-CG2 3.85Å; L201-V237 HydrophobicContact CD2-CG2 3.63Å; L209-V237 HydrophobicContact CD2-CG2 4.26Å; E211-V237 CarbonylContact C-O 3.57Å; E211-V237 WeakPolarHBondContact CA-O 3.29Å; I212-V237 PolarHBondContact N-O 2.86Å; L235-V237 PolarHBondContact O-N 2.98Å
238	V	97.9	Very high	95.5	Very high	12 Å²	12	66.4 Å²	66.4	7%	0.073	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.8	-177	-171.2	0	0	0	0	109.9	V197 I212 L214 V232 L235 Q236	V197-V238 HydrophobicContact CG1-CG1 4.44Å; V197-V238 HydrophobicContact CG1-CG2 3.92Å; I212-V238 HydrophobicContact CB-CG1 4.4Å; I212-V238 HydrophobicContact CB-CG2 4.16Å; I212-V238 HydrophobicContact CD1-CG2 4.18Å; I212-V238 HydrophobicContact CG2-CG1 4.4Å; I212-V238 CarbonylContact O-C 3.57Å; I212-V238 WeakPolarHBondContact O-CA 3.26Å; L214-V238 HydrophobicContact CD1-CG1 3.87Å; L214-V238 HydrophobicContact CG-CG1 3.95Å; V232-V238 HydrophobicContact CB-CB 4.11Å; V232-V238 HydrophobicContact CB-CG1 3.83Å; V232-V238 HydrophobicContact CG1-CG1 4.09Å; V232-V238 HydrophobicContact CG2-CG1 4.23Å; L235-V238 HydrophobicContact CB-CB 4.14Å; L235-V238 HydrophobicContact CB-CG2 3.56Å; L235-V238 HydrophobicContact CD1-CG2 3.97Å; L235-V238 HydrophobicContact CG-CG2 4.42Å; Q236-V238 VanDerWaalsContact C-N 3.32Å
239	K	96.9	Very high	95.3	Very high	59 Å²	59	67.6 Å²	67.6	26%	0.257	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	143.9	174.9	67.1	-175.8	-176.2	-170.6	0	111.2	E211 I212 I213 L214 V259	E211-K239 IonicContact OE1-NZ 2.87Å; E211-K239 WeakPolarHBondContact OE2-CE 3.37Å; E211-K239 IonicContact OE2-NZ 2.77Å; E211-K239 PolarHBondContact OE2-NZ 3.39Å; I212-K239 PolarHBondContact O-N 2.91Å; I213-K239 HydrophobicContact CB-CG 4.44Å; I213-K239 VanDerWaalsContact CD1-CE 3.46Å; I213-K239 VanDerWaalsContact CG1-CE 3.49Å; I213-K239 HydrophobicContact CG1-CG 4.38Å; I213-K239 HydrophobicContact CG2-CG 4.21Å; L214-K239 PolarHBondContact N-O 3.18Å; K239-V259 PolarHBondContact NZ-O 3.38Å
240	V	98.4	Very high	95.3	Very high	32 Å²	32	64.4 Å²	64.4	19%	0.194	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	132.3	172.3	-171.5	0	0	0	0	109	L214 L228 E229 V232	L214-V240 HydrophobicContact CB-CG2 4.4Å; L214-V240 HydrophobicContact CD1-CG2 4.48Å; L214-V240 CarbonylContact O-C 3.55Å; L214-V240 WeakPolarHBondContact O-CA 3.2Å; L228-V240 HydrophobicContact CG-CG2 4.45Å; E229-V240 HydrophobicContact CG-CB 4Å; E229-V240 HydrophobicContact CG-CG1 4.38Å; E229-V240 HydrophobicContact CG-CG2 4.01Å; V232-V240 HydrophobicContact CG2-CG2 3.68Å
241	V	98.3	Very high	95.3	Very high	26 Å²	26	60.2 Å²	60.2	16%	0.158	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.9	174.5	-176.8	0	0	0	0	107.2	I213 L214 V215 D216 L255 V259	I213-V241 HydrophobicContact CG2-CG2 3.7Å; L214-V241 PolarHBondContact O-N 2.88Å; V215-V241 CarbonylContact C-O 3.47Å; V215-V241 WeakPolarHBondContact CA-O 3.45Å; V215-V241 HydrophobicContact CG2-CB 4.43Å; D216-V241 PolarHBondContact N-O 3.4Å; V241-L255 HydrophobicContact CG1-CD1 4.16Å; V241-L255 HydrophobicContact CG1-CD2 3.76Å; V241-L255 HydrophobicContact CG1-CG 3.74Å; V241-V259 HydrophobicContact CG2-CG2 4.01Å
242	R	97.9	Very high	95.3	Very high	66 Å²	66	57.3 Å²	57.3	25%	0.249	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	128.5	-176.7	-59.2	-60	-172.5	174.3	-5.7	110.4	D216 L224 K225 E229	D216-R242 VanDerWaalsContact CG-NH1 3.3Å; D216-R242 IonicContact OD2-CZ 3.94Å; D216-R242 IonicContact OD2-NH1 2.76Å; D216-R242 PolarHBondContact OD2-NH1 3.12Å; L224-R242 PolarHBondContact O-NH1 3.28Å; L224-R242 PolarHBondContact O-NH2 3.15Å; K225-R242 PolarHBondContact O-NH2 2.93Å; E229-R242 IonicContact OE1-CZ 3.43Å; E229-R242 VanDerWaalsContact OE1-CZ 3.24Å; E229-R242 IonicContact OE1-NE 3.76Å; E229-R242 PolarHBondContact OE1-NE 3.49Å; E229-R242 IonicContact OE1-NH2 3.14Å; E229-R242 PolarHBondContact OE1-NH2 3.27Å
243	Q	95.9	Very high	95.4	Very high	16 Å²	16	57.3 Å²	57.3	8%	0.075	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.9	161.6	-159.1	166.7	-106.1	0	0	107.8	D216 D217 A218 E245 T251 L255	D216-Q243 VanDerWaalsContact O-CB 3.31Å; D216-Q243 WeakPolarHBondContact O-CB 3.44Å; D216-Q243 PolarHBondContact O-N 3.07Å; D217-Q243 PolarHBondContact OD1-NE2 2.98Å; A218-Q243 PolarHBondContact N-O 3.38Å; Q243-E245 VanDerWaalsContact C-N 3.29Å; Q243-E245 WeakPolarHBondContact CG-O 3.49Å; Q243-E245 PolarHBondContact NE2-O 3.33Å; Q243-E245 PolarHBondContact O-N 3.08Å; Q243-T251 VanDerWaalsContact OE1-CG2 3.28Å; Q243-L255 HydrophobicContact CB-CD2 4.14Å; Q243-L255 HydrophobicContact CG-CD2 4.36Å
244	E	93.9	Very high	95.6	Very high	190 Å²	190	51.5 Å²	51.5	89%	0.888	24%	0.244	S	C	*	.	S	Bend	trans	-65.5	-34.5	-174.1	-63.7	-179.2	173.2	0	0	112.4
245	E	94.4	Very high	95.8	Very high	123 Å²	123	48.4 Å²	48.4	58%	0.575	23%	0.231	S	C	*	.	S	Bend	trans	-117.7	149.8	179.9	-61.7	177.8	152.7	0	0	110.9	A218 Q243 K247	A218-E245 VanDerWaalsContact CB-C 3.49Å; Q243-E245 VanDerWaalsContact C-N 3.29Å; Q243-E245 WeakPolarHBondContact CG-O 3.49Å; Q243-E245 PolarHBondContact NE2-O 3.33Å; Q243-E245 PolarHBondContact O-N 3.08Å; E245-K247 HydrophobicContact CB-CG 4.36Å; E245-K247 PolarHBondContact O-N 2.72Å; E245-K247 WeakPolarHBondContact OE2-CE 3.45Å; E245-K247 IonicContact OE2-NZ 3.91Å; E245-K247 PolarHBondContact OE2-NZ 3.39Å
246	R	93.9	Very high	96.1	Very high	55 Å²	55	48.4 Å²	48.4	21%	0.208	23%	0.231	C	C	.	.			trans	-73.7	99.9	178	-169.7	174.1	-177.9	-84.4	2.7	110.9	H186 D217 A218 I378 T416	H186-R246 PolarHBondContact CE1-NE 3.06Å; H186-R246 PolarHBondContact NE2-NE 3.3Å; H186-R246 VanDerWaalsContact NE2-NE 3.16Å; D217-R246 WeakPolarHBondContact OD1-CA 3.41Å; A218-R246 HydrophobicContact CB-CB 4.02Å; R246-I378 VanDerWaalsContact NH1-CD1 3.33Å; R246-T416 VanDerWaalsContact CZ-O 3.25Å; R246-T416 PolarHBondContact NH1-O 3.19Å; R246-T416 PolarHBondContact NH2-O 3.07Å
247	K	93	Very high	96.5	Very high	98 Å²	98	41 Å²	41	43%	0.426	20%	0.197	S	C	.	.			trans	-113.1	-3.7	-178.1	-58.9	-179.2	178.4	176.5	0	113.5	D217 E245 T251	D217-K247 PolarHBondContact OD1-N 3.42Å; E245-K247 HydrophobicContact CB-CG 4.36Å; E245-K247 PolarHBondContact O-N 2.72Å; E245-K247 WeakPolarHBondContact OE2-CE 3.45Å; E245-K247 IonicContact OE2-NZ 3.91Å; E245-K247 PolarHBondContact OE2-NZ 3.39Å; K247-T251 HydrophobicContact CB-CG2 3.84Å; K247-T251 HydrophobicContact CD-CG2 3.97Å; K247-T251 PolarHBondContact O-OG1 3.49Å
248	G	93.8	Very high	96.6	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.01	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	94.6	174.6	174.6	0	0	0	0	0	115.2	D217 I250 T251 A252 I378	D217-G248 PolarHBondContact OD1-N 3.03Å; D217-G248 WeakPolarHBondContact OD2-CA 3.37Å; D217-G248 PolarHBondContact OD2-N 3.32Å; G248-I250 VanDerWaalsContact C-N 3.34Å; G248-I250 PolarHBondContact O-N 3.44Å; G248-T251 PolarHBondContact O-N 2.71Å; G248-A252 WeakPolarHBondContact O-CB 3.38Å; G248-A252 PolarHBondContact O-N 3.32Å; G248-I378 CarbonylContact C-O 3.52Å; G248-I378 VanDerWaalsContact CA-O 3.22Å; G248-I378 WeakPolarHBondContact CA-O 3.31Å
249	L	94.6	Very high	96.6	Very high	25 Å²	25	45.5 Å²	45.5	13%	0.131	23%	0.228	C	C	.	.	H	α-helix	trans	-54.8	-46.7	-178	179.8	64.3	0	0	0	112.2	V184 A252 R253 I378	V184-L249 HydrophobicContact CB-CD1 3.83Å; V184-L249 HydrophobicContact CG1-CD1 3.9Å; V184-L249 HydrophobicContact CG2-CD1 4.21Å; L249-A252 PolarHBondContact O-N 3.25Å; L249-R253 HydrophobicContact CD1-CG 4.12Å; L249-R253 HydrophobicContact CG-CG 4.45Å; L249-R253 WeakPolarHBondContact O-CB 3.31Å; L249-R253 WeakPolarHBondContact O-CG 3.39Å; L249-R253 PolarHBondContact O-N 2.91Å; L249-I378 PolarHBondContact N-O 2.96Å
250	I	95.1	Very high	96.7	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-60.4	-54.5	-175.6	-62.6	118.8	0	0	0	110.8	G248 A252 R253 L254 Y372 M376 E382	G248-I250 VanDerWaalsContact C-N 3.34Å; G248-I250 PolarHBondContact O-N 3.44Å; I250-A252 VanDerWaalsContact C-N 3.33Å; I250-A252 PolarHBondContact O-N 2.61Å; I250-R253 PolarHBondContact O-N 3.29Å; I250-L254 HydrophobicContact CG2-CD1 4.19Å; I250-L254 WeakPolarHBondContact O-CG 3.47Å; I250-L254 PolarHBondContact O-N 3.26Å; I250-Y372 VanDerWaalsContact CG2-CB 3.49Å; I250-Y372 HydrophobicContact CG2-CD2 4.43Å; I250-Y372 HydrophobicContact CG2-CG 4.01Å; I250-M376 HydrophobicContact CD1-CB 3.65Å; I250-M376 HydrophobicContact CG1-CB 4.32Å; I250-E382 HydrophobicContact CD1-CB 4.16Å; I250-E382 HydrophobicContact CD1-CG 4.45Å; I250-E382 HydrophobicContact CG1-CB 3.76Å; I250-E382 HydrophobicContact CG1-CG 3.9Å
251	T	96.2	Very high	96.7	Very high	36 Å²	36	47.8 Å²	47.8	22%	0.221	24%	0.238	C	C	.	.	H	α-helix	trans	-62.4	-41.8	-179.2	-46.9	0	0	0	0	111.4	Q243 K247 G248 R253 L254 L255	Q243-T251 VanDerWaalsContact OE1-CG2 3.28Å; K247-T251 HydrophobicContact CB-CG2 3.84Å; K247-T251 HydrophobicContact CD-CG2 3.97Å; K247-T251 PolarHBondContact O-OG1 3.49Å; G248-T251 PolarHBondContact O-N 2.71Å; T251-R253 PolarHBondContact O-N 2.8Å; T251-L254 PolarHBondContact O-N 2.94Å; T251-L255 PolarHBondContact O-N 3.48Å
252	A	97.9	Very high	96.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.5	-37.9	177.8	0	0	0	0	0	112.4	V184 V215 D217 G248 L249 I250 L255 G256	V184-A252 HydrophobicContact CB-CB 4.34Å; V184-A252 HydrophobicContact CG1-CB 3.49Å; V184-A252 VanDerWaalsContact CG1-CB 3.49Å; V184-A252 HydrophobicContact CG2-CB 3.85Å; V215-A252 HydrophobicContact CG1-CB 3.85Å; D217-A252 HydrophobicContact CB-CB 4.15Å; G248-A252 WeakPolarHBondContact O-CB 3.38Å; G248-A252 PolarHBondContact O-N 3.32Å; L249-A252 PolarHBondContact O-N 3.25Å; I250-A252 VanDerWaalsContact C-N 3.33Å; I250-A252 PolarHBondContact O-N 2.61Å; A252-L255 PolarHBondContact O-N 3.48Å; A252-G256 PolarHBondContact O-N 2.88Å
253	R	98.3	Very high	96.7	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.015	24%	0.242	C	C	.	.	H	α-helix	trans	-64.8	-40.8	173.2	-77.4	-173.8	177.6	179.1	-2.9	112.2	V184 L249 I250 T251 L255 G256 A257 F267 D269 G356 G357 Y372	V184-R253 HydrophobicContact CG2-CB 4.43Å; V184-R253 HydrophobicContact CG2-CG 3.6Å; L249-R253 HydrophobicContact CD1-CG 4.12Å; L249-R253 HydrophobicContact CG-CG 4.45Å; L249-R253 WeakPolarHBondContact O-CB 3.31Å; L249-R253 WeakPolarHBondContact O-CG 3.39Å; L249-R253 PolarHBondContact O-N 2.91Å; I250-R253 PolarHBondContact O-N 3.29Å; T251-R253 PolarHBondContact O-N 2.8Å; R253-L255 VanDerWaalsContact C-N 3.33Å; R253-G256 PolarHBondContact O-N 2.87Å; R253-A257 WeakPolarHBondContact O-CB 3.36Å; R253-A257 PolarHBondContact O-N 3.24Å; R253-F267 HydrophobicContact CB-CD1 4.24Å; R253-F267 HydrophobicContact CB-CE1 3.79Å; R253-F267 HydrophobicContact CG-CD1 3.82Å; R253-F267 HydrophobicContact CG-CE1 3.91Å; R253-D269 IonicContact NH2-OD1 2.79Å; R253-G356 VanDerWaalsContact CZ-O 3.27Å; R253-G356 PolarHBondContact NH1-O 3.35Å; R253-G356 PolarHBondContact NH2-O 2.65Å; R253-G357 VanDerWaalsContact NH2-CA 3.33Å; R253-G357 PolarHBondContact NH2-O 3.16Å; R253-Y372 HydrophobicContact CB-CE2 4.23Å; R253-Y372 PolarHBondContact NH1-OH 2.63Å
254	L	98.1	Very high	96.8	Very high	34 Å²	34	47.6 Å²	47.6	18%	0.178	24%	0.239	C	C	.	.	H	α-helix	trans	-63.6	-39.7	175.2	-67.8	171	0	0	0	111.6	I250 T251 A257 S258 F366 T371 Y372 N374	I250-L254 HydrophobicContact CG2-CD1 4.19Å; I250-L254 WeakPolarHBondContact O-CG 3.47Å; I250-L254 PolarHBondContact O-N 3.26Å; T251-L254 PolarHBondContact O-N 2.94Å; L254-A257 PolarHBondContact O-N 3.34Å; L254-S258 WeakPolarHBondContact O-CB 3.37Å; L254-S258 PolarHBondContact O-N 3.46Å; L254-F366 HydrophobicContact CD2-CE1 4.24Å; L254-F366 HydrophobicContact CD2-CZ 4.11Å; L254-T371 HydrophobicContact CD2-CG2 4.4Å; L254-T371 WeakPolarHBondContact CD2-OG1 3.38Å; L254-Y372 HydrophobicContact CD2-CD2 4.32Å; L254-Y372 HydrophobicContact CG-CD2 4.5Å; L254-N374 HydrophobicContact CD1-CB 3.88Å
255	L	98.4	Very high	97.1	Very high	47 Å²	47	38.5 Å²	38.5	25%	0.246	20%	0.197	C	C	.	.	H	α-helix	trans	-63.1	-42.8	173.4	179.2	58.8	0	0	0	111.9	V215 V241 Q243 T251 A252 R253 S258 V259	V215-L255 HydrophobicContact CG1-CD2 4.07Å; V215-L255 HydrophobicContact CG1-CG 4.43Å; V241-L255 HydrophobicContact CG1-CD1 4.16Å; V241-L255 HydrophobicContact CG1-CD2 3.76Å; V241-L255 HydrophobicContact CG1-CG 3.74Å; Q243-L255 HydrophobicContact CB-CD2 4.14Å; Q243-L255 HydrophobicContact CG-CD2 4.36Å; T251-L255 PolarHBondContact O-N 3.48Å; A252-L255 PolarHBondContact O-N 3.48Å; R253-L255 VanDerWaalsContact C-N 3.33Å; L255-S258 PolarHBondContact O-OG 3.28Å; L255-V259 PolarHBondContact O-N 3.44Å
256	G	98.5	Very high	97.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.4	-43.1	173.4	0	0	0	0	0	112.6	A252 R253 V259 A260	A252-G256 PolarHBondContact O-N 2.88Å; R253-G256 PolarHBondContact O-N 2.87Å; G256-V259 WeakPolarHBondContact O-CG2 3.39Å; G256-V259 PolarHBondContact O-N 2.9Å; G256-A260 PolarHBondContact O-N 3.43Å; G256-A260 VanDerWaalsContact O-N 3.16Å
257	A	98.4	Very high	97.5	Very high	7 Å²	7	30.1 Å²	30.1	6%	0.058	16%	0.16	C	C	.	.	H	α-helix	trans	-67.4	-36.4	-179.9	0	0	0	0	0	112.9	I182 R253 L254 V259 A260 L265 F267 F366	I182-A257 HydrophobicContact CD1-CB 4.27Å; R253-A257 WeakPolarHBondContact O-CB 3.36Å; R253-A257 PolarHBondContact O-N 3.24Å; L254-A257 PolarHBondContact O-N 3.34Å; A257-V259 VanDerWaalsContact C-N 3.31Å; A257-V259 PolarHBondContact O-N 3.03Å; A257-A260 WeakPolarHBondContact O-CB 3.1Å; A257-A260 PolarHBondContact O-N 2.81Å; A257-L265 HydrophobicContact CB-CD1 3.77Å; A257-F267 HydrophobicContact CB-CZ 4.43Å; A257-F366 HydrophobicContact CB-CD1 4.45Å; A257-F366 HydrophobicContact CB-CE1 3.91Å
258	S	98.1	Very high	97.8	Very high	82 Å²	82	25.6 Å²	25.6	57%	0.573	14%	0.14	S	C	*	.	H	α-helix	trans	-66.8	-32.7	-179.8	71.7	0	0	0	0	112.6	L254 L255	L254-S258 WeakPolarHBondContact O-CB 3.37Å; L254-S258 PolarHBondContact O-N 3.46Å; L255-S258 PolarHBondContact O-OG 3.28Å
259	V	98.4	Very high	98	Very high	54 Å²	54	26.9 Å²	26.9	33%	0.327	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-0.7	177.8	-53.1	0	0	0	0	113.9	I213 K239 V241 L255 G256 A257	I213-V259 HydrophobicContact CD1-CG2 4.22Å; I213-V259 HydrophobicContact CG2-CG2 4.08Å; K239-V259 PolarHBondContact NZ-O 3.38Å; V241-V259 HydrophobicContact CG2-CG2 4.01Å; L255-V259 PolarHBondContact O-N 3.44Å; G256-V259 WeakPolarHBondContact O-CG2 3.39Å; G256-V259 PolarHBondContact O-N 2.9Å; A257-V259 VanDerWaalsContact C-N 3.31Å; A257-V259 PolarHBondContact O-N 3.03Å
260	A	98.6	Very high	98.2	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.033	14%	0.142	C	C	.	.			trans	-72.2	136.9	177.3	0	0	0	0	0	111.2	I182 E211 I213 G256 A257 L265 K363	I182-A260 HydrophobicContact CD1-CB 4.38Å; E211-A260 WeakPolarHBondContact OE1-CA 3.25Å; I213-A260 HydrophobicContact CD1-CB 3.83Å; G256-A260 PolarHBondContact O-N 3.43Å; G256-A260 VanDerWaalsContact O-N 3.16Å; A257-A260 WeakPolarHBondContact O-CB 3.1Å; A257-A260 PolarHBondContact O-N 2.81Å; A260-L265 HydrophobicContact CB-CD2 3.45Å; A260-L265 VanDerWaalsContact CB-CD2 3.45Å; A260-K363 PolarHBondContact O-NZ 3.29Å
261	Q	98.3	Very high	98.3	Very high	135 Å²	135	26.8 Å²	26.8	63%	0.631	15%	0.146	S	C	*	.			trans	-106.4	-14.3	-175	-60.5	-176.9	-5	0	0	113.6	S180 E211	S180-Q261 PolarHBondContact OG-N 3.03Å; E211-Q261 WeakPolarHBondContact OE1-CB 2.99Å; E211-Q261 PolarHBondContact OE1-N 3.13Å
262	A	98.3	Very high	98.5	Very high	4 Å²	4	25.1 Å²	25.1	3%	0.033	14%	0.136	C	C	.	.	S	Bend	trans	-82.6	166.3	-177.9	0	0	0	0	0	113.2	T178 S180 K210	T178-A262 WeakPolarHBondContact O-CB 3.47Å; S180-A262 WeakPolarHBondContact OG-CB 3.48Å; S180-A262 PolarHBondContact OG-N 3.13Å; S180-A262 VanDerWaalsContact OG-N 3.09Å; K210-A262 HydrophobicContact CB-CB 3.76Å; K210-A262 HydrophobicContact CG-CB 4.11Å
263	E	98.3	Very high	98.5	Very high	97 Å²	97	25.4 Å²	25.4	45%	0.453	14%	0.138	S	C	.	.	S	Bend	trans	-74.2	-27.5	178.4	-70.2	-179.1	-110.3	0	0	113	A177 T178 K363	A177-E263 HydrophobicContact CB-CB 3.99Å; T178-E263 PolarHBondContact O-N 2.84Å; E263-K363 WeakPolarHBondContact O-CB 3.15Å; E263-K363 PolarHBondContact O-N 3.38Å
264	V	98.9	Very high	98.5	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.012	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	141.5	176.8	177.2	0	0	0	0	109.8	A177 T178 T179 S180 L283 I286 I361	A177-V264 HydrophobicContact CB-CG2 3.87Å; T178-V264 PolarHBondContact O-N 2.92Å; T179-V264 VanDerWaalsContact CA-O 3.29Å; T179-V264 WeakPolarHBondContact CA-O 3.44Å; T179-V264 PolarHBondContact OG1-O 3.08Å; S180-V264 PolarHBondContact N-O 2.97Å; V264-L283 HydrophobicContact CB-CD2 3.91Å; V264-L283 HydrophobicContact CG1-CD2 3.61Å; V264-L283 HydrophobicContact CG2-CD2 4Å; V264-I286 HydrophobicContact CG1-CD1 3.77Å; V264-I286 HydrophobicContact CG2-CD1 4.39Å; V264-I286 HydrophobicContact CG2-CG2 4.09Å; V264-I361 WeakPolarHBondContact CA-O 3.38Å; V264-I361 WeakPolarHBondContact CG1-O 3.32Å
265	L	98.9	Very high	98.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127.2	169.4	-53.1	-179.9	0	0	0	108	I182 A257 A260 F267 S360 I361 K363 F366	I182-L265 HydrophobicContact CD1-CB 4.4Å; I182-L265 HydrophobicContact CD1-CD2 4.09Å; A257-L265 HydrophobicContact CB-CD1 3.77Å; A260-L265 HydrophobicContact CB-CD2 3.45Å; A260-L265 VanDerWaalsContact CB-CD2 3.45Å; L265-F267 HydrophobicContact CB-CD2 4.46Å; L265-F267 HydrophobicContact CB-CE2 3.77Å; L265-F267 HydrophobicContact CB-CZ 4.17Å; L265-F267 HydrophobicContact CD1-CE2 4.23Å; L265-F267 HydrophobicContact CD1-CZ 4.07Å; L265-S360 CarbonylContact O-C 3.56Å; L265-S360 VanDerWaalsContact O-CA 3.22Å; L265-S360 WeakPolarHBondContact O-CA 3.34Å; L265-I361 HydrophobicContact CB-CG2 4.17Å; L265-I361 PolarHBondContact N-O 2.74Å; L265-I361 PolarHBondContact O-N 2.86Å; L265-K363 HydrophobicContact CD1-CB 4.39Å; L265-K363 HydrophobicContact CD1-CG 4.23Å; L265-K363 HydrophobicContact CD2-CB 4.16Å; L265-K363 HydrophobicContact CD2-CD 4.23Å; L265-K363 HydrophobicContact CD2-CG 4.13Å; L265-K363 HydrophobicContact CG-CB 3.96Å; L265-K363 HydrophobicContact CG-CG 4.19Å; L265-F366 HydrophobicContact CD1-CB 4.33Å; L265-F366 HydrophobicContact CD1-CD1 3.66Å; L265-F366 HydrophobicContact CD1-CE1 4.22Å; L265-F366 HydrophobicContact CD1-CG 4.12Å
266	T	98.9	Very high	98.5	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	108.5	173.5	-61.6	0	0	0	0	109.2	T179 S180 V181 I182 W278 L279 F359 S360	T179-T266 WeakPolarHBondContact OG1-CB 3.41Å; T179-T266 PolarHBondContact OG1-N 3.47Å; T179-T266 PolarHBondContact OG1-OG1 3.4Å; S180-T266 PolarHBondContact O-N 3.19Å; V181-T266 CarbonylContact C-O 3.52Å; V181-T266 VanDerWaalsContact CA-O 3.27Å; V181-T266 WeakPolarHBondContact CA-O 3.21Å; I182-T266 PolarHBondContact N-O 2.88Å; T266-W278 HydrophobicContact CG2-CH2 3.67Å; T266-W278 HydrophobicContact CG2-CZ3 3.82Å; T266-L279 HydrophobicContact CG2-CD1 4.43Å; T266-F359 CarbonylContact C-O 3.33Å; T266-F359 WeakPolarHBondContact CA-O 3.31Å; T266-S360 WeakPolarHBondContact CB-OG 3.47Å; T266-S360 VanDerWaalsContact CG2-OG 3.32Å; T266-S360 WeakPolarHBondContact CG2-OG 3.42Å; T266-S360 PolarHBondContact OG1-OG 3.3Å
267	F	98.9	Very high	98.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	135.6	178.5	-62.6	-85.5	0	0	0	110.3	I182 R253 A257 L265 L358 F359 I361 F366	I182-F267 HydrophobicContact CB-CD1 3.82Å; I182-F267 HydrophobicContact CB-CE1 3.98Å; I182-F267 HydrophobicContact CD1-CD1 4.26Å; I182-F267 HydrophobicContact CD1-CE1 3.6Å; I182-F267 HydrophobicContact CD1-CZ 3.9Å; I182-F267 HydrophobicContact CG1-CE1 4.41Å; I182-F267 HydrophobicContact CG2-CD1 3.94Å; I182-F267 HydrophobicContact CG2-CE1 3.96Å; I182-F267 WeakPolarHBondContact O-CA 3.38Å; R253-F267 HydrophobicContact CB-CD1 4.24Å; R253-F267 HydrophobicContact CB-CE1 3.79Å; R253-F267 HydrophobicContact CG-CD1 3.82Å; R253-F267 HydrophobicContact CG-CE1 3.91Å; A257-F267 HydrophobicContact CB-CZ 4.43Å; L265-F267 HydrophobicContact CB-CD2 4.46Å; L265-F267 HydrophobicContact CB-CE2 3.77Å; L265-F267 HydrophobicContact CB-CZ 4.17Å; L265-F267 HydrophobicContact CD1-CE2 4.23Å; L265-F267 HydrophobicContact CD1-CZ 4.07Å; F267-L358 VanDerWaalsContact O-CA 3.31Å; F267-L358 WeakPolarHBondContact O-CA 3.07Å; F267-F359 HydrophobicContact CB-CD1 4.04Å; F267-F359 HydrophobicContact CB-CE1 3.84Å; F267-F359 HydrophobicContact CB-CZ 4.4Å; F267-F359 HydrophobicContact CD2-CD1 4.17Å; F267-F359 HydrophobicContact CD2-CD2 4.16Å; F267-F359 AromaticContact CD2-CE1 3.55Å; F267-F359 HydrophobicContact CD2-CE1 3.55Å; F267-F359 AromaticContact CD2-CE2 3.54Å; F267-F359 HydrophobicContact CD2-CE2 3.54Å; F267-F359 HydrophobicContact CD2-CG 4.46Å; F267-F359 AromaticContact CD2-CZ 3.2Å; F267-F359 HydrophobicContact CD2-CZ 3.2Å; F267-F359 HydrophobicContact CE2-CE1 4.35Å; F267-F359 AromaticContact CE2-CE2 3.84Å; F267-F359 HydrophobicContact CE2-CE2 3.84Å; F267-F359 AromaticContact CE2-CZ 3.6Å; F267-F359 HydrophobicContact CE2-CZ 3.6Å; F267-F359 HydrophobicContact CG-CD1 4.47Å; F267-F359 AromaticContact CG-CE1 3.87Å; F267-F359 HydrophobicContact CG-CE1 3.87Å; F267-F359 AromaticContact CG-CZ 3.96Å; F267-F359 HydrophobicContact CG-CZ 3.96Å; F267-F359 PolarHBondContact N-O 3.41Å; F267-F359 PolarHBondContact O-N 2.85Å; F267-I361 HydrophobicContact CE2-CG2 4.28Å; F267-F366 HydrophobicContact CZ-CZ 4.48Å
268	L	98.8	Very high	98.5	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.016	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	151.8	171.8	-66.3	176.9	0	0	0	109.9	V181 I182 I183 V200 W278 L358 V405	V181-L268 HydrophobicContact CG1-CD1 3.93Å; V181-L268 HydrophobicContact CG1-CG 4.39Å; I182-L268 PolarHBondContact O-N 2.96Å; I183-L268 WeakPolarHBondContact CA-O 3.4Å; I183-L268 HydrophobicContact CG1-CB 4.15Å; V200-L268 HydrophobicContact CG2-CD1 3.66Å; L268-W278 HydrophobicContact CD1-CH2 3.88Å; L268-W278 HydrophobicContact CD1-CZ2 4.41Å; L268-W278 HydrophobicContact CD2-CH2 4.41Å; L268-W278 HydrophobicContact CD2-CZ3 4.25Å; L268-W278 HydrophobicContact CG-CH2 4.44Å; L268-L358 HydrophobicContact CD2-CB 4.15Å; L268-L358 HydrophobicContact CD2-CD2 3.87Å; L268-L358 HydrophobicContact CD2-CG 3.85Å; L268-V405 HydrophobicContact CD2-CG1 4.33Å
269	D	98.2	Very high	98.5	Very high	29 Å²	29	20.8 Å²	20.8	16%	0.155	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	160.3	168.3	-71.2	-7.2	0	0	0	110.4	T196 R253 H271 H407	T196-D269 WeakPolarHBondContact CG2-O 3.22Å; R253-D269 IonicContact NH2-OD1 2.79Å; D269-H271 PolarHBondContact O-N 2.89Å; D269-H271 VanDerWaalsContact O-N 3.09Å; D269-H407 IonicContact OD2-CD2 3.84Å; D269-H407 IonicContact OD2-CE1 3.43Å; D269-H407 IonicContact OD2-NE2 2.74Å; D269-H407 PolarHBondContact OD2-NE2 3.08Å
270	A	98.4	Very high	98.5	Very high	2 Å²	2	19.1 Å²	19.1	2%	0.017	10%	0.097	C	C	.	.	S	Bend	trans	-77.2	12.4	-175	0	0	0	0	0	115.6	I183 F185 E188 T192 L193 T196	I183-A270 HydrophobicContact CG2-CB 3.82Å; F185-A270 HydrophobicContact CB-CB 3.71Å; E188-A270 HydrophobicContact CB-CB 4.3Å; E188-A270 HydrophobicContact CG-CB 3.82Å; T192-A270 CarbonylContact C-O 3.52Å; T192-A270 VanDerWaalsContact C-O 3.27Å; L193-A270 VanDerWaalsContact CA-O 3.3Å; L193-A270 WeakPolarHBondContact CA-O 3.36Å; L193-A270 HydrophobicContact CD1-CB 3.89Å; L193-A270 PolarHBondContact N-O 2.64Å; T196-A270 PolarHBondContact OG1-O 2.53Å; T196-A270 VanDerWaalsContact OG1-O 3.12Å
271	H	98.4	Very high	98.5	Very high	22 Å²	22	19.2 Å²	19.2	10%	0.102	10%	0.097	C	C	.	.	S	Bend	trans	-142	53.3	-177.1	42	-87.9	0	0	0	109.9	E188 T196 D269 H407 V408 R410	E188-H271 IonicContact OE2-CE1 2.69Å; E188-H271 IonicContact OE2-CG 3.9Å; E188-H271 IonicContact OE2-ND1 3.46Å; E188-H271 PolarHBondContact OE2-ND1 2.77Å; T196-H271 PolarHBondContact OG1-N 3.48Å; D269-H271 PolarHBondContact O-N 2.89Å; D269-H271 VanDerWaalsContact O-N 3.09Å; H271-H407 AromaticContact CD2-CD2 3.9Å; H271-H407 AromaticContact CD2-CE1 3.81Å; H271-H407 AromaticContact CD2-NE2 3.49Å; H271-H407 PolarHBondContact CD2-NE2 3.37Å; H271-H407 AromaticContact NE2-CE1 3.56Å; H271-H407 AromaticContact NE2-NE2 3.19Å; H271-H407 PolarHBondContact NE2-NE2 3.1Å; H271-H407 VanDerWaalsContact NE2-NE2 3.19Å; H271-V408 HydrophobicContact CB-CB 4.25Å; H271-V408 HydrophobicContact CB-CG2 4.23Å; H271-V408 PolarHBondContact O-N 3.31Å; H271-R410 PolarHBondContact CE1-NH2 2.67Å; H271-R410 PolarHBondContact ND1-NH2 3.16Å
272	C	98.8	Very high	98.5	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.007	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	154.8	-177.9	-70.2	0	0	0	0	112.2	T196 V405 G406	T196-C272 VanDerWaalsContact CA-O 3.3Å; T196-C272 WeakPolarHBondContact CA-O 3.49Å; T196-C272 HydrophobicContact CG2-CB 4.01Å; T196-C272 PolarHBondContact OG1-N 3.41Å; T196-C272 PolarHBondContact OG1-O 3.04Å; C272-V405 HydrophobicContact CB-CG1 3.99Å; C272-G406 CarbonylContact C-O 3.57Å; C272-G406 WeakPolarHBondContact CA-O 3.25Å; C272-G406 WeakPolarHBondContact CB-O 3.41Å
273	E	98.9	Very high	98.6	Very high	6 Å²	6	12.7 Å²	12.7	3%	0.028	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	117.5	168.7	-62.6	-177.3	-108.8	0	0	109.2	R154 L156 R195 I301 F308 G406	R154-E273 IonicContact CZ-OE1 3.1Å; R154-E273 IonicContact CZ-OE2 3.79Å; R154-E273 IonicContact NE-OE1 2.7Å; R154-E273 PolarHBondContact NE-OE1 2.93Å; R154-E273 IonicContact NE-OE2 3Å; R154-E273 PolarHBondContact NE-OE2 2.66Å; R154-E273 IonicContact NH2-OE1 3.05Å; R154-E273 PolarHBondContact NH2-OE1 3.46Å; R154-E273 IonicContact NH2-OE2 3.32Å; R154-E273 PolarHBondContact NH2-OE2 2.95Å; L156-E273 HydrophobicContact CD1-CB 4.29Å; R195-E273 VanDerWaalsContact CD-CD 3.48Å; R195-E273 WeakPolarHBondContact CD-OE2 3.33Å; R195-E273 HydrophobicContact CG-CG 4.12Å; E273-I301 HydrophobicContact CB-CD1 3.92Å; E273-I301 HydrophobicContact CG-CD1 3.83Å; E273-F308 HydrophobicContact CB-CD2 4.35Å; E273-F308 HydrophobicContact CB-CE2 4.19Å; E273-F308 WeakPolarHBondContact O-CE2 3.33Å; E273-G406 PolarHBondContact N-O 3.2Å; E273-G406 PolarHBondContact O-N 2.9Å
274	C	98.8	Very high	98.6	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.007	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	134.1	179.5	-60.4	0	0	0	0	110.9	S199 T203 W278	S199-C274 PolarHBondContact OG-N 3.26Å; S199-C274 PolarHBondContact OG-O 2.81Å; T203-C274 HydrophobicContact CG2-CB 4.47Å; T203-C274 VanDerWaalsContact OG1-CB 3.25Å; T203-C274 WeakPolarHBondContact OG1-CB 3.27Å; C274-W278 HydrophobicContact CB-CD2 4.04Å; C274-W278 HydrophobicContact CB-CG 3.86Å; C274-W278 VanDerWaalsContact SG-CE2 3.54Å
275	F	98.5	Very high	98.6	Very high	1 Å²	1	10.6 Å²	10.6	0%	0.004	6%	0.057	C	C	.	.			trans	-84.1	175	174.2	-153.1	-113.5	0	0	0	111.2	L156 D159 R161 G277 F308 P311 V404	L156-F275 HydrophobicContact CB-CD2 3.87Å; L156-F275 HydrophobicContact CB-CE2 3.72Å; L156-F275 HydrophobicContact CD1-CD2 3.69Å; L156-F275 HydrophobicContact CD1-CE2 4.39Å; L156-F275 HydrophobicContact CG-CD2 4.44Å; D159-F275 WeakPolarHBondContact OD1-CE1 3.47Å; R161-F275 HydrophobicContact CG-CD1 4.03Å; R161-F275 HydrophobicContact CG-CE1 3.99Å; F275-G277 PolarHBondContact O-N 3.28Å; F275-F308 HydrophobicContact CB-CZ 4.35Å; F275-F308 AromaticContact CD2-CE1 3.72Å; F275-F308 HydrophobicContact CD2-CE1 3.72Å; F275-F308 AromaticContact CD2-CZ 3.88Å; F275-F308 HydrophobicContact CD2-CZ 3.88Å; F275-F308 HydrophobicContact CE2-CE1 4.12Å; F275-F308 HydrophobicContact CG-CZ 4.46Å; F275-P311 HydrophobicContact CD1-CG 3.98Å; F275-P311 HydrophobicContact CE1-CG 3.6Å; F275-P311 HydrophobicContact CZ-CG 4.05Å; F275-V404 HydrophobicContact CB-CB 3.85Å; F275-V404 HydrophobicContact CB-CG1 4.11Å; F275-V404 WeakPolarHBondContact CB-O 3.44Å; F275-V404 HydrophobicContact CD1-CB 4.49Å; F275-V404 HydrophobicContact CG-CB 4.4Å; F275-V404 HydrophobicContact CG-CG1 4.5Å; F275-V404 PolarHBondContact N-O 3.3Å
276	H	97.3	Very high	98.5	Very high	56 Å²	56	10.8 Å²	10.8	26%	0.259	6%	0.059	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	137.3	177.7	-56.3	-75.7	0	0	0	111.2	G157 D159 R161 W278	G157-H276 PolarHBondContact O-NE2 2.87Å; D159-H276 HydrophobicContact CB-CB 4.37Å; R161-H276 PolarHBondContact NE-O 3.06Å; R161-H276 PolarHBondContact NH1-O 3.17Å; R161-H276 VanDerWaalsContact NH1-O 3.08Å; R161-H276 PolarHBondContact NH2-O 2.82Å; H276-W278 VanDerWaalsContact C-N 3.26Å; H276-W278 PolarHBondContact O-N 2.85Å
277	G	97.4	Very high	98.5	Very high	18 Å²	18	11.8 Å²	11.8	19%	0.186	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	34.9	174.1	0	0	0	0	0	114.7	R161 F275 E280 P281	R161-G277 PolarHBondContact NH1-O 2.85Å; R161-G277 VanDerWaalsContact NH1-O 3.13Å; F275-G277 PolarHBondContact O-N 3.28Å; G277-E280 VanDerWaalsContact CA-OE2 3.31Å; G277-E280 WeakPolarHBondContact CA-OE2 3.23Å; G277-P281 WeakPolarHBondContact O-CD 3.34Å
278	W	98.7	Very high	98.4	Very high	1 Å²	1	18.3 Å²	18.3	0%	0.004	10%	0.097	C	C	.	.			trans	-75.2	-30	-174	74.6	-78.2	0	0	0	113.1	V200 T203 T204 T266 L268 C274 H276 L282 S403 V405	V200-W278 HydrophobicContact CG2-CZ2 4.47Å; T203-W278 PolarHBondContact OG1-NE1 2.96Å; T204-W278 PolarHBondContact OG1-NE1 3.1Å; T266-W278 HydrophobicContact CG2-CH2 3.67Å; T266-W278 HydrophobicContact CG2-CZ3 3.82Å; L268-W278 HydrophobicContact CD1-CH2 3.88Å; L268-W278 HydrophobicContact CD1-CZ2 4.41Å; L268-W278 HydrophobicContact CD2-CH2 4.41Å; L268-W278 HydrophobicContact CD2-CZ3 4.25Å; L268-W278 HydrophobicContact CG-CH2 4.44Å; C274-W278 HydrophobicContact CB-CD2 4.04Å; C274-W278 HydrophobicContact CB-CG 3.86Å; C274-W278 VanDerWaalsContact SG-CE2 3.54Å; H276-W278 VanDerWaalsContact C-N 3.26Å; H276-W278 PolarHBondContact O-N 2.85Å; W278-L282 HydrophobicContact CE3-CD1 4.03Å; W278-L282 HydrophobicContact CZ3-CD1 4.08Å; W278-S403 WeakPolarHBondContact O-CB 3.37Å; W278-S403 PolarHBondContact O-OG 2.7Å; W278-V405 HydrophobicContact CB-CG2 4.36Å; W278-V405 HydrophobicContact CD2-CG2 4.13Å; W278-V405 HydrophobicContact CE3-CG2 3.63Å; W278-V405 HydrophobicContact CG-CG2 4.46Å; W278-V405 HydrophobicContact CZ3-CG2 4.27Å
279	L	98.8	Very high	98.4	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-89.4	-40.7	-167.7	-177.4	67.5	0	0	0	112.4	T179 T204 L208 T266 L282 L283	T179-L279 HydrophobicContact CG2-CD1 4.14Å; T179-L279 HydrophobicContact CG2-CD2 3.7Å; T204-L279 HydrophobicContact CG2-CD2 3.32Å; L208-L279 HydrophobicContact CB-CD2 4.24Å; T266-L279 HydrophobicContact CG2-CD1 4.43Å; L279-L282 WeakPolarHBondContact O-CB 3.45Å; L279-L282 PolarHBondContact O-N 2.88Å; L279-L283 HydrophobicContact CD1-CD1 4.13Å; L279-L283 HydrophobicContact CD1-CD2 4.29Å; L279-L283 HydrophobicContact CD1-CG 3.98Å; L279-L283 HydrophobicContact CD2-CD1 3.67Å; L279-L283 HydrophobicContact CD2-CG 4.42Å; L279-L283 HydrophobicContact CG-CD1 3.62Å; L279-L283 HydrophobicContact CG-CG 3.86Å; L279-L283 PolarHBondContact O-N 3.19Å
280	E	98.6	Very high	98.4	Very high	19 Å²	19	24.5 Å²	24.5	9%	0.089	12%	0.124	C	C	.	.	H	α-helix	trans	-57.6	-43.1	-172.9	-52.6	93.5	128.7	0	0	112.7	L99 F170 L176 P205 L208 G277 L282 L283 A284	L99-E280 HydrophobicContact CD1-CG 4.5Å; L99-E280 HydrophobicContact CD2-CG 4.45Å; F170-E280 HydrophobicContact CD1-CB 4.27Å; F170-E280 HydrophobicContact CD2-CB 3.67Å; F170-E280 HydrophobicContact CD2-CG 4.32Å; F170-E280 HydrophobicContact CE1-CB 3.96Å; F170-E280 HydrophobicContact CE2-CB 3.32Å; F170-E280 HydrophobicContact CE2-CG 4.11Å; F170-E280 HydrophobicContact CG-CB 4.14Å; F170-E280 HydrophobicContact CZ-CB 3.48Å; F170-E280 VanDerWaalsContact CZ-CB 3.48Å; L176-E280 HydrophobicContact CD1-CB 4.46Å; P205-E280 HydrophobicContact CG-CG 3.99Å; L208-E280 HydrophobicContact CD1-CG 4.1Å; G277-E280 VanDerWaalsContact CA-OE2 3.31Å; G277-E280 WeakPolarHBondContact CA-OE2 3.23Å; E280-L282 VanDerWaalsContact C-N 3.3Å; E280-L282 PolarHBondContact O-N 2.8Å; E280-L283 PolarHBondContact O-N 3.28Å; E280-A284 WeakPolarHBondContact O-CB 3.44Å; E280-A284 PolarHBondContact O-N 3.18Å
281	P	98.8	Very high	98.3	Very high	6 Å²	6	26.7 Å²	26.7	4%	0.039	14%	0.138	C	C	.	.	H	α-helix	trans	-61.3	-35.5	174.4	-22.7	34.1	0	0	0	113.7	F170 G277 R285 I400 C402	F170-P281 HydrophobicContact CE1-CG 4.29Å; F170-P281 HydrophobicContact CZ-CG 3.95Å; G277-P281 WeakPolarHBondContact O-CD 3.34Å; P281-R285 PolarHBondContact O-N 2.84Å; P281-I400 HydrophobicContact CB-CG2 3.54Å; P281-C402 HydrophobicContact CB-CB 4.29Å; P281-C402 HydrophobicContact CG-CB 4Å
282	L	98.8	Very high	98.4	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-67.7	-49.6	178	-56.9	179	0	0	0	110.4	W278 L279 E280 R285 I286 V294 I400 S403	W278-L282 HydrophobicContact CE3-CD1 4.03Å; W278-L282 HydrophobicContact CZ3-CD1 4.08Å; L279-L282 WeakPolarHBondContact O-CB 3.45Å; L279-L282 PolarHBondContact O-N 2.88Å; E280-L282 VanDerWaalsContact C-N 3.3Å; E280-L282 PolarHBondContact O-N 2.8Å; L282-R285 PolarHBondContact O-N 2.68Å; L282-I286 WeakPolarHBondContact O-CG1 3.45Å; L282-I286 PolarHBondContact O-N 2.8Å; L282-I286 VanDerWaalsContact O-N 3.17Å; L282-V294 HydrophobicContact CB-CG2 3.87Å; L282-V294 HydrophobicContact CD2-CB 4.1Å; L282-V294 HydrophobicContact CD2-CG2 3.98Å; L282-V294 HydrophobicContact CG-CG2 4.49Å; L282-I400 HydrophobicContact CD2-CB 3.86Å; L282-I400 HydrophobicContact CD2-CG1 3.72Å; L282-S403 WeakPolarHBondContact CD1-OG 3.27Å; L282-S403 WeakPolarHBondContact CG-OG 3.5Å
283	L	98.8	Very high	98.4	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-67.8	-36.7	-178.8	-62.3	-177.6	0	0	0	112.2	L176 A177 L208 V264 L279 E280 R285 I286 A287	L176-L283 HydrophobicContact CD2-CB 4.28Å; A177-L283 WeakPolarHBondContact O-CD1 3.29Å; L208-L283 HydrophobicContact CB-CD1 4.04Å; L208-L283 HydrophobicContact CD1-CD1 3.94Å; L208-L283 HydrophobicContact CD2-CD1 4.5Å; L208-L283 HydrophobicContact CG-CD1 4.36Å; V264-L283 HydrophobicContact CB-CD2 3.91Å; V264-L283 HydrophobicContact CG1-CD2 3.61Å; V264-L283 HydrophobicContact CG2-CD2 4Å; L279-L283 HydrophobicContact CD1-CD1 4.13Å; L279-L283 HydrophobicContact CD1-CD2 4.29Å; L279-L283 HydrophobicContact CD1-CG 3.98Å; L279-L283 HydrophobicContact CD2-CD1 3.67Å; L279-L283 HydrophobicContact CD2-CG 4.42Å; L279-L283 HydrophobicContact CG-CD1 3.62Å; L279-L283 HydrophobicContact CG-CG 3.86Å; L279-L283 PolarHBondContact O-N 3.19Å; E280-L283 PolarHBondContact O-N 3.28Å; L283-R285 VanDerWaalsContact C-N 3.32Å; L283-R285 PolarHBondContact O-N 2.88Å; L283-I286 PolarHBondContact O-N 2.9Å; L283-A287 WeakPolarHBondContact O-CB 3.49Å; L283-A287 PolarHBondContact O-N 3.33Å
284	A	98.6	Very high	98.4	Very high	16 Å²	16	25.3 Å²	25.3	13%	0.132	13%	0.132	C	C	.	.	H	α-helix	trans	-61.1	-43.7	175.7	0	0	0	0	0	111.2	F170 L176 E280 A287 E288	F170-A284 HydrophobicContact CD1-CB 3.62Å; F170-A284 HydrophobicContact CE1-CB 4.02Å; L176-A284 VanDerWaalsContact CD2-CA 3.45Å; L176-A284 HydrophobicContact CD2-CB 3.77Å; E280-A284 WeakPolarHBondContact O-CB 3.44Å; E280-A284 PolarHBondContact O-N 3.18Å; A284-A287 WeakPolarHBondContact O-CB 3.46Å; A284-A287 PolarHBondContact O-N 2.96Å; A284-E288 WeakPolarHBondContact O-CG 3.28Å; A284-E288 PolarHBondContact O-N 3.42Å; A284-E288 VanDerWaalsContact O-N 3.08Å
285	R	98.6	Very high	98.4	Very high	38 Å²	38	25.6 Å²	25.6	14%	0.143	13%	0.133	C	C	.	.	H	α-helix	trans	-65.6	-40.3	178.7	-175.2	65.9	-160.5	111.7	13.3	112.5	P281 L282 L283 A287 E288 D289 V292 V294 E398 I400	P281-R285 PolarHBondContact O-N 2.84Å; L282-R285 PolarHBondContact O-N 2.68Å; L283-R285 VanDerWaalsContact C-N 3.32Å; L283-R285 PolarHBondContact O-N 2.88Å; R285-A287 VanDerWaalsContact C-N 3.32Å; R285-E288 IonicContact CZ-OE2 3.52Å; R285-E288 IonicContact NH1-OE2 2.89Å; R285-E288 PolarHBondContact NH1-OE2 3.3Å; R285-E288 PolarHBondContact O-N 2.87Å; R285-D289 IonicContact NH2-OD2 3.53Å; R285-D289 PolarHBondContact O-N 3.12Å; R285-D289 VanDerWaalsContact O-N 3.1Å; R285-V292 HydrophobicContact CG-CG2 3.96Å; R285-V294 HydrophobicContact CB-CG1 4.03Å; R285-V294 HydrophobicContact CG-CG1 3.65Å; R285-E398 WeakPolarHBondContact CD-OE2 3.35Å; R285-E398 WeakPolarHBondContact CG-OE2 3.27Å; R285-E398 IonicContact CZ-OE1 3.8Å; R285-E398 IonicContact CZ-OE2 3.75Å; R285-E398 IonicContact NE-OE1 3.16Å; R285-E398 IonicContact NE-OE2 3.08Å; R285-E398 PolarHBondContact NE-OE2 3.22Å; R285-E398 IonicContact NH2-OE1 2.8Å; R285-E398 PolarHBondContact NH2-OE1 3.1Å; R285-E398 IonicContact NH2-OE2 2.71Å; R285-I400 HydrophobicContact CB-CD1 4.29Å; R285-I400 HydrophobicContact CG-CD1 4.11Å
286	I	98.8	Very high	98.4	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.026	13%	0.134	C	C	.	.	H	α-helix	trans	-66.8	-34.6	174.4	-64.5	167.8	0	0	0	111.5	V264 L282 L283 E288 D289 K290 V292 V294	V264-I286 HydrophobicContact CG1-CD1 3.77Å; V264-I286 HydrophobicContact CG2-CD1 4.39Å; V264-I286 HydrophobicContact CG2-CG2 4.09Å; L282-I286 WeakPolarHBondContact O-CG1 3.45Å; L282-I286 PolarHBondContact O-N 2.8Å; L282-I286 VanDerWaalsContact O-N 3.17Å; L283-I286 PolarHBondContact O-N 2.9Å; I286-E288 VanDerWaalsContact C-N 3.31Å; I286-E288 PolarHBondContact O-N 2.95Å; I286-D289 CarbonylContact O-C 3.46Å; I286-D289 PolarHBondContact O-N 3.28Å; I286-K290 PolarHBondContact O-N 3Å; I286-V292 HydrophobicContact CG1-CG2 4.2Å; I286-V294 HydrophobicContact CD1-CG2 3.74Å; I286-V294 HydrophobicContact CG1-CG2 3.8Å
287	A	97.8	Very high	98.4	Very high	22 Å²	22	23.9 Å²	23.9	18%	0.182	13%	0.126	C	C	.	.	H	α-helix	trans	-66.4	-34.2	177.1	0	0	0	0	0	112	P174 L283 A284 R285	P174-A287 HydrophobicContact CB-CB 4.41Å; P174-A287 HydrophobicContact CG-CB 4.05Å; P174-A287 WeakPolarHBondContact CG-O 3.47Å; L283-A287 WeakPolarHBondContact O-CB 3.49Å; L283-A287 PolarHBondContact O-N 3.33Å; A284-A287 WeakPolarHBondContact O-CB 3.46Å; A284-A287 PolarHBondContact O-N 2.96Å; R285-A287 VanDerWaalsContact C-N 3.32Å
288	E	97.4	Very high	98.4	Very high	136 Å²	136	24 Å²	24	64%	0.636	12%	0.123	S	C	*	.	H	α-helix	trans	-71.2	-39.2	173.1	-69.4	171.4	176.5	0	0	112.8	A284 R285 I286	A284-E288 WeakPolarHBondContact O-CG 3.28Å; A284-E288 PolarHBondContact O-N 3.42Å; A284-E288 VanDerWaalsContact O-N 3.08Å; R285-E288 IonicContact CZ-OE2 3.52Å; R285-E288 IonicContact NH1-OE2 2.89Å; R285-E288 PolarHBondContact NH1-OE2 3.3Å; R285-E288 PolarHBondContact O-N 2.87Å; I286-E288 VanDerWaalsContact C-N 3.31Å; I286-E288 PolarHBondContact O-N 2.95Å
289	D	97.9	Very high	98.3	Very high	40 Å²	40	24.3 Å²	24.3	21%	0.214	12%	0.124	C	C	.	.			trans	-146.4	107.6	-179.1	-177	-9.2	0	0	0	110.6	R285 I286 T291 V292	R285-D289 IonicContact NH2-OD2 3.53Å; R285-D289 PolarHBondContact O-N 3.12Å; R285-D289 VanDerWaalsContact O-N 3.1Å; I286-D289 CarbonylContact O-C 3.46Å; I286-D289 PolarHBondContact O-N 3.28Å; D289-T291 PolarHBondContact O-N 2.67Å; D289-T291 VanDerWaalsContact O-N 3.14Å; D289-T291 WeakPolarHBondContact OD1-CB 3.39Å; D289-T291 PolarHBondContact OD1-N 2.88Å; D289-T291 PolarHBondContact OD1-OG1 3.13Å; D289-V292 HydrophobicContact CB-CG1 3.94Å; D289-V292 HydrophobicContact CB-CG2 4.49Å; D289-V292 WeakPolarHBondContact O-CG2 3.19Å; D289-V292 PolarHBondContact O-N 3.11Å
290	K	97.6	Very high	98.2	Very high	122 Å²	122	27.5 Å²	27.5	53%	0.53	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-11.2	-177	-67	-171.8	176.2	-171.9	0	113.9	I286 Y365	I286-K290 PolarHBondContact O-N 3Å; K290-Y365 VanDerWaalsContact O-CB 3.28Å; K290-Y365 WeakPolarHBondContact O-CB 3.47Å
291	T	98.3	Very high	98.2	Very high	49 Å²	49	26.6 Å²	26.6	30%	0.301	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-1.7	-178.3	72.1	0	0	0	0	113.4	D289 Y365 G395 Q396	D289-T291 PolarHBondContact O-N 2.67Å; D289-T291 VanDerWaalsContact O-N 3.14Å; D289-T291 WeakPolarHBondContact OD1-CB 3.39Å; D289-T291 PolarHBondContact OD1-N 2.88Å; D289-T291 PolarHBondContact OD1-OG1 3.13Å; T291-Y365 VanDerWaalsContact C-CE1 3.5Å; T291-Y365 HydrophobicContact CG2-CD2 4.31Å; T291-Y365 HydrophobicContact CG2-CE2 4.04Å; T291-Y365 WeakPolarHBondContact O-CE1 3.33Å; T291-Y365 VanDerWaalsContact O-CZ 3.3Å; T291-Y365 PolarHBondContact O-OH 2.9Å; T291-G395 WeakPolarHBondContact O-CA 3.48Å; T291-Q396 PolarHBondContact O-N 2.93Å
292	V	98.6	Very high	98.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	143.8	176	-59.1	0	0	0	0	112.3	R285 I286 D289 V294 Q396	R285-V292 HydrophobicContact CG-CG2 3.96Å; I286-V292 HydrophobicContact CG1-CG2 4.2Å; D289-V292 HydrophobicContact CB-CG1 3.94Å; D289-V292 HydrophobicContact CB-CG2 4.49Å; D289-V292 WeakPolarHBondContact O-CG2 3.19Å; D289-V292 PolarHBondContact O-N 3.11Å; V292-V294 HydrophobicContact CB-CG1 4.28Å; V292-V294 HydrophobicContact CG2-CG1 3.84Å; V292-Q396 WeakPolarHBondContact CA-O 3.33Å; V292-Q396 HydrophobicContact CG1-CB 4.12Å
293	V	98.9	Very high	98.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	118.4	167.6	-173	0	0	0	0	107	F354 F359 I361 Y365 M386 V390 Q396 L397 E398	V293-F354 HydrophobicContact CG1-CE2 4.44Å; V293-F359 HydrophobicContact CG1-CB 4.38Å; V293-F359 HydrophobicContact CG1-CD2 3.52Å; V293-F359 HydrophobicContact CG1-CE2 4.12Å; V293-F359 HydrophobicContact CG1-CG 4.26Å; V293-I361 HydrophobicContact CG1-CB 4.37Å; V293-I361 HydrophobicContact CG1-CD1 4.44Å; V293-I361 HydrophobicContact CG2-CD1 3.52Å; V293-I361 HydrophobicContact CG2-CG1 3.96Å; V293-Y365 HydrophobicContact CG2-CE1 4.25Å; V293-M386 HydrophobicContact CG1-CE 4.25Å; V293-M386 HydrophobicContact CG2-CE 4.36Å; V293-V390 HydrophobicContact CG2-CG1 3.98Å; V293-V390 HydrophobicContact CG2-CG2 3.77Å; V293-Q396 PolarHBondContact N-O 3.2Å; V293-L397 HydrophobicContact CB-CD2 3.73Å; V293-L397 HydrophobicContact CG1-CD2 4.19Å; V293-L397 HydrophobicContact CG2-CD2 4.21Å; V293-L397 WeakPolarHBondContact O-CA 3.26Å; V293-E398 PolarHBondContact O-N 3.24Å
294	V	98.8	Very high	97.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.1	-169.2	-66.9	0	0	0	0	110.6	L282 R285 I286 V292 F359 S360 E398 I400	L282-V294 HydrophobicContact CB-CG2 3.87Å; L282-V294 HydrophobicContact CD2-CB 4.1Å; L282-V294 HydrophobicContact CD2-CG2 3.98Å; L282-V294 HydrophobicContact CG-CG2 4.49Å; R285-V294 HydrophobicContact CB-CG1 4.03Å; R285-V294 HydrophobicContact CG-CG1 3.65Å; I286-V294 HydrophobicContact CD1-CG2 3.74Å; I286-V294 HydrophobicContact CG1-CG2 3.8Å; V292-V294 HydrophobicContact CB-CG1 4.28Å; V292-V294 HydrophobicContact CG2-CG1 3.84Å; V294-F359 CarbonylContact O-C 3.59Å; V294-F359 VanDerWaalsContact O-CA 3.26Å; V294-F359 WeakPolarHBondContact O-CA 3.5Å; V294-F359 WeakPolarHBondContact O-CB 3.5Å; V294-S360 PolarHBondContact N-O 2.92Å; V294-S360 PolarHBondContact O-N 3.31Å; V294-E398 CarbonylContact C-O 3.5Å; V294-E398 VanDerWaalsContact CA-O 3.32Å; V294-E398 WeakPolarHBondContact CA-O 3.38Å; V294-E398 HydrophobicContact CG1-CB 4.26Å; V294-I400 HydrophobicContact CB-CD1 4.44Å; V294-I400 HydrophobicContact CB-CG1 3.95Å; V294-I400 HydrophobicContact CG1-CD1 4.12Å; V294-I400 HydrophobicContact CG1-CG1 4.16Å
295	S	98.6	Very high	97.9	Very high	6 Å²	6	34.1 Å²	34.1	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	145.7	176.3	-54.1	0	0	0	0	110.1	E398 I399 I400	S295-E398 PolarHBondContact N-O 3.45Å; S295-I399 CarbonylContact O-C 3.56Å; S295-I399 WeakPolarHBondContact O-CA 3.32Å; S295-I400 PolarHBondContact O-N 2.85Å
296	P	98.6	Very high	97.9	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.019	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	160.1	165.3	31.2	-34.6	0	0	0	110.2	I298 L358 S403 V405	P296-I298 HydrophobicContact CG-CG1 4.26Å; P296-I298 PolarHBondContact O-N 2.85Å; P296-L358 WeakPolarHBondContact CD-O 3.46Å; P296-L358 HydrophobicContact CG-CB 3.83Å; P296-L358 HydrophobicContact CG-CD2 4.19Å; P296-S403 CarbonylContact C-O 3.5Å; P296-S403 WeakPolarHBondContact CA-O 3.37Å; P296-S403 WeakPolarHBondContact CB-O 3.12Å; P296-S403 WeakPolarHBondContact CB-OG 3.31Å; P296-V405 HydrophobicContact CB-CB 4.18Å; P296-V405 HydrophobicContact CB-CG2 3.75Å; P296-V405 HydrophobicContact CG-CB 4.08Å; P296-V405 HydrophobicContact CG-CG2 3.86Å
297	D	97.4	Very high	97.9	Very high	18 Å²	18	37 Å²	37	10%	0.096	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	105.5	159.5	176.8	23.4	0	0	0	109.2	R316 I399 S403 V404 V405	D297-R316 VanDerWaalsContact CG-NH2 3.3Å; D297-R316 IonicContact OD1-CZ 2.78Å; D297-R316 IonicContact OD1-NH2 3.88Å; D297-R316 PolarHBondContact OD1-NH2 3.47Å; D297-R316 VanDerWaalsContact OD1-NH2 3.14Å; D297-R316 IonicContact OD2-CZ 2.82Å; D297-R316 IonicContact OD2-NE 2.94Å; D297-R316 IonicContact OD2-NH1 2.7Å; D297-R316 PolarHBondContact OD2-NH1 2.95Å; D297-R316 IonicContact OD2-NH2 3.91Å; D297-R316 PolarHBondContact OD2-NH2 2.91Å; D297-I399 HydrophobicContact CB-CG2 4.25Å; D297-S403 PolarHBondContact N-O 3.38Å; D297-V404 WeakPolarHBondContact O-CA 3.45Å; D297-V405 PolarHBondContact O-N 3.39Å
298	I	97.8	Very high	97.9	Very high	22 Å²	22	36.2 Å²	36.2	11%	0.113	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	121.6	-173.3	-53	172.2	0	0	0	109.1	P296 A355 L358 V405 H407 F409	P296-I298 HydrophobicContact CG-CG1 4.26Å; P296-I298 PolarHBondContact O-N 2.85Å; I298-A355 HydrophobicContact CD1-CB 3.95Å; I298-L358 HydrophobicContact CD1-CB 4.27Å; I298-L358 HydrophobicContact CD1-CD1 4.16Å; I298-L358 HydrophobicContact CG1-CD2 4.41Å; I298-V405 WeakPolarHBondContact CA-O 3.41Å; I298-H407 HydrophobicContact CG2-CB 3.68Å; I298-F409 HydrophobicContact CG2-CE2 4.02Å; I298-F409 HydrophobicContact CG2-CZ 3.62Å
299	V	96.8	Very high	97.9	Very high	6 Å²	6	32 Å²	32	4%	0.036	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	154.3	176.5	-64.6	0	0	0	0	111.7	F308 A309 V404 V405 G406 H407	V299-F308 HydrophobicContact CG2-CD1 4.33Å; V299-F308 HydrophobicContact CG2-CE1 3.57Å; V299-F308 HydrophobicContact CG2-CE2 3.99Å; V299-F308 HydrophobicContact CG2-CZ 3.36Å; V299-A309 HydrophobicContact CB-CB 4.34Å; V299-A309 VanDerWaalsContact CB-O 3.29Å; V299-A309 WeakPolarHBondContact CB-O 3.28Å; V299-A309 WeakPolarHBondContact CG1-O 3.49Å; V299-A309 WeakPolarHBondContact CG2-O 3.32Å; V299-V404 HydrophobicContact CB-CG1 4.41Å; V299-V404 HydrophobicContact CG1-CG1 3.79Å; V299-V404 HydrophobicContact CG2-CG1 3.72Å; V299-V405 PolarHBondContact N-O 2.94Å; V299-G406 CarbonylContact O-C 3.6Å; V299-G406 VanDerWaalsContact O-CA 3.28Å; V299-G406 WeakPolarHBondContact O-CA 3.44Å; V299-H407 PolarHBondContact O-N 3.41Å
300	T	97.3	Very high	97.8	Very high	67 Å²	67	33.2 Å²	33.2	41%	0.411	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	130.8	179.2	-58.2	0	0	0	0	111.1	A309 F409	T300-A309 VanDerWaalsContact O-CB 3.29Å; T300-A309 WeakPolarHBondContact O-CB 3.4Å; T300-A309 PolarHBondContact O-N 3.47Å; T300-F409 HydrophobicContact CG2-CD2 4.07Å
301	I	98.6	Very high	97.6	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	118.2	154.7	-59.6	167.4	0	0	0	106.1	E273 L303 F306 E307 F308 G406 H407 V408	E273-I301 HydrophobicContact CB-CD1 3.92Å; E273-I301 HydrophobicContact CG-CD1 3.83Å; I301-L303 PolarHBondContact O-N 3.38Å; I301-F306 HydrophobicContact CG2-CB 4.35Å; I301-F306 HydrophobicContact CG2-CD1 4.02Å; I301-F306 HydrophobicContact CG2-CG 4.38Å; I301-E307 CarbonylContact C-O 3.44Å; I301-E307 WeakPolarHBondContact CA-O 3.29Å; I301-F308 HydrophobicContact CD1-CD2 4.26Å; I301-F308 HydrophobicContact CG1-CD2 3.83Å; I301-F308 HydrophobicContact CG1-CE2 4.41Å; I301-G406 VanDerWaalsContact CD1-C 3.48Å; I301-H407 PolarHBondContact N-O 2.82Å; I301-V408 HydrophobicContact CB-CG2 3.89Å; I301-V408 HydrophobicContact CD1-CG2 4.3Å; I301-V408 HydrophobicContact CG2-CG2 3.85Å
302	D	98.2	Very high	97.3	Very high	48 Å²	48	28.6 Å²	28.6	26%	0.257	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-61.2	125.2	-176.4	-177.3	-90.2	0	0	0	110.6	N304 T305 F306 E307	D302-N304 PolarHBondContact O-N 3.34Å; D302-N304 VanDerWaalsContact O-N 3.1Å; D302-N304 VanDerWaalsContact OD1-CA 3.27Å; D302-N304 WeakPolarHBondContact OD1-CA 3.42Å; D302-N304 VanDerWaalsContact OD1-CB 3.23Å; D302-N304 WeakPolarHBondContact OD1-CB 3.46Å; D302-N304 PolarHBondContact OD1-N 3.32Å; D302-N304 PolarHBondContact OD1-ND2 2.71Å; D302-T305 WeakPolarHBondContact CB-OG1 3.19Å; D302-T305 PolarHBondContact OD1-N 3.37Å; D302-T305 PolarHBondContact OD1-OG1 3.25Å; D302-F306 WeakPolarHBondContact O-CA 3.25Å; D302-F306 PolarHBondContact O-N 2.82Å; D302-E307 HydrophobicContact CB-CB 4.33Å; D302-E307 PolarHBondContact N-O 3.17Å
303	L	96.6	Very high	96.8	Very high	27 Å²	27	34.1 Å²	34.1	14%	0.141	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-15.2	-175.8	69.1	136.8	0	0	0	113.9	Y137 F142 N143 I301 V408 F409	Y137-L303 HydrophobicContact CE1-CD1 4.18Å; F142-L303 HydrophobicContact CB-CB 3.88Å; N143-L303 WeakPolarHBondContact CB-O 3.38Å; N143-L303 PolarHBondContact N-O 3.37Å; I301-L303 PolarHBondContact O-N 3.38Å; L303-V408 HydrophobicContact CB-CG1 4.07Å; L303-F409 WeakPolarHBondContact CD2-O 3.44Å
304	N	95.6	Very high	96.1	Very high	66 Å²	66	44.8 Å²	44.8	35%	0.353	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-43.4	-177.4	-46	-72.5	0	0	0	112.1	Y137 N143 D302	Y137-N304 VanDerWaalsContact OH-CA 3.28Å; Y137-N304 WeakPolarHBondContact OH-CA 3.27Å; Y137-N304 VanDerWaalsContact OH-CB 3.28Å; Y137-N304 WeakPolarHBondContact OH-CB 3.22Å; Y137-N304 VanDerWaalsContact OH-CG 3.28Å; Y137-N304 PolarHBondContact OH-OD1 3Å; N143-N304 WeakPolarHBondContact CB-O 3.44Å; N143-N304 PolarHBondContact ND2-O 2.86Å; D302-N304 PolarHBondContact O-N 3.34Å; D302-N304 VanDerWaalsContact O-N 3.1Å; D302-N304 VanDerWaalsContact OD1-CA 3.27Å; D302-N304 WeakPolarHBondContact OD1-CA 3.42Å; D302-N304 VanDerWaalsContact OD1-CB 3.23Å; D302-N304 WeakPolarHBondContact OD1-CB 3.46Å; D302-N304 PolarHBondContact OD1-N 3.32Å; D302-N304 PolarHBondContact OD1-ND2 2.71Å
305	T	97.4	Very high	94.8	Very high	41 Å²	41	48.5 Å²	48.5	25%	0.252	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-12.2	-173.9	69.3	0	0	0	0	113.3	A119 F120 D302 E307	A119-T305 HydrophobicContact CB-CG2 4.44Å; F120-T305 WeakPolarHBondContact CB-O 3.35Å; F120-T305 PolarHBondContact N-O 2.84Å; D302-T305 WeakPolarHBondContact CB-OG1 3.19Å; D302-T305 PolarHBondContact OD1-N 3.37Å; D302-T305 PolarHBondContact OD1-OG1 3.25Å; T305-E307 PolarHBondContact O-N 3.2Å; T305-E307 WeakPolarHBondContact OG1-CB 3.43Å; T305-E307 PolarHBondContact OG1-N 2.86Å
306	F	98.4	Very high	93.9	Very high	1 Å²	1	51.3 Å²	51.3	0%	0.004	27%	0.274	C	S	.	.			trans	57.4	23.9	-172	-79.4	-105.9	0	0	0	113.6	F142 N143 A146 S147 I150 R154 T192 I301 D302 F308 V408	F142-F306 HydrophobicContact CD2-CE2 4.01Å; F142-F306 AromaticContact CD2-CZ 3.63Å; F142-F306 HydrophobicContact CD2-CZ 3.63Å; F142-F306 AromaticContact CE2-CZ 3.96Å; F142-F306 HydrophobicContact CE2-CZ 3.96Å; F142-F306 HydrophobicContact CG-CZ 4.4Å; N143-F306 HydrophobicContact CB-CE2 4.38Å; N143-F306 VanDerWaalsContact O-CE2 3.25Å; N143-F306 WeakPolarHBondContact O-CE2 3.28Å; A146-F306 HydrophobicContact CB-CD2 4.15Å; S147-F306 VanDerWaalsContact CB-CZ 3.49Å; I150-F306 HydrophobicContact CD1-CB 3.4Å; I150-F306 VanDerWaalsContact CD1-CB 3.4Å; I150-F306 HydrophobicContact CD1-CD1 4.49Å; I150-F306 HydrophobicContact CD1-CG 3.94Å; R154-F306 PolarHBondContact NH1-O 2.89Å; R154-F306 PolarHBondContact NH2-O 3.45Å; T192-F306 HydrophobicContact CG2-CE1 3.88Å; T192-F306 HydrophobicContact CG2-CZ 4.07Å; I301-F306 HydrophobicContact CG2-CB 4.35Å; I301-F306 HydrophobicContact CG2-CD1 4.02Å; I301-F306 HydrophobicContact CG2-CG 4.38Å; D302-F306 WeakPolarHBondContact O-CA 3.25Å; D302-F306 PolarHBondContact O-N 2.82Å; F306-F308 PolarHBondContact O-N 3.47Å; F306-V408 HydrophobicContact CE1-CG2 4.05Å; F306-V408 HydrophobicContact CZ-CG2 4.49Å
307	E	98.6	Very high	93.3	Very high	102 Å²	102	56.1 Å²	56.1	48%	0.477	30%	0.303	S	S	.	.			trans	-65.3	130.3	168.9	-174.8	168	-151.8	0	0	109.9	G117 A119 I301 D302 T305	G117-E307 WeakPolarHBondContact O-CA 3.24Å; A119-E307 HydrophobicContact CB-CB 3.99Å; A119-E307 HydrophobicContact CB-CG 4.39Å; I301-E307 CarbonylContact C-O 3.44Å; I301-E307 WeakPolarHBondContact CA-O 3.29Å; D302-E307 HydrophobicContact CB-CB 4.33Å; D302-E307 PolarHBondContact N-O 3.17Å; T305-E307 PolarHBondContact O-N 3.2Å; T305-E307 WeakPolarHBondContact OG1-CB 3.43Å; T305-E307 PolarHBondContact OG1-N 2.86Å
308	F	98.6	Very high	93.1	Very high	5 Å²	5	56 Å²	56	2%	0.022	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-91.4	119.2	177.3	-173.2	-78.7	0	0	0	109.4	G117 L156 E273 F275 V299 I301 F306 K310 V404 G406	G117-F308 PolarHBondContact O-N 3.34Å; L156-F308 HydrophobicContact CD1-CD2 3.84Å; L156-F308 HydrophobicContact CD1-CE1 4.37Å; L156-F308 HydrophobicContact CD1-CE2 3.58Å; L156-F308 HydrophobicContact CD1-CG 4.34Å; L156-F308 HydrophobicContact CD1-CZ 3.88Å; L156-F308 HydrophobicContact CD2-CB 4.12Å; L156-F308 HydrophobicContact CD2-CD2 3.84Å; L156-F308 HydrophobicContact CD2-CE2 4.44Å; L156-F308 HydrophobicContact CD2-CG 3.99Å; L156-F308 HydrophobicContact CG-CD2 4.47Å; E273-F308 HydrophobicContact CB-CD2 4.35Å; E273-F308 HydrophobicContact CB-CE2 4.19Å; E273-F308 WeakPolarHBondContact O-CE2 3.33Å; F275-F308 HydrophobicContact CB-CZ 4.35Å; F275-F308 AromaticContact CD2-CE1 3.72Å; F275-F308 HydrophobicContact CD2-CE1 3.72Å; F275-F308 AromaticContact CD2-CZ 3.88Å; F275-F308 HydrophobicContact CD2-CZ 3.88Å; F275-F308 HydrophobicContact CE2-CE1 4.12Å; F275-F308 HydrophobicContact CG-CZ 4.46Å; V299-F308 HydrophobicContact CG2-CD1 4.33Å; V299-F308 HydrophobicContact CG2-CE1 3.57Å; V299-F308 HydrophobicContact CG2-CE2 3.99Å; V299-F308 HydrophobicContact CG2-CZ 3.36Å; I301-F308 HydrophobicContact CD1-CD2 4.26Å; I301-F308 HydrophobicContact CG1-CD2 3.83Å; I301-F308 HydrophobicContact CG1-CE2 4.41Å; F306-F308 PolarHBondContact O-N 3.47Å; F308-K310 HydrophobicContact CD1-CG 3.91Å; F308-K310 PolarHBondContact O-N 3.35Å; F308-V404 HydrophobicContact CZ-CG1 4.3Å; F308-G406 VanDerWaalsContact CE2-CA 3.48Å
309	A	97	Very high	92.9	Very high	48 Å²	48	57.1 Å²	57.1	40%	0.397	31%	0.312	S	S	.	.			trans	-71	89.9	175.2	0	0	0	0	0	110.6	V299 T300	V299-A309 HydrophobicContact CB-CB 4.34Å; V299-A309 VanDerWaalsContact CB-O 3.29Å; V299-A309 WeakPolarHBondContact CB-O 3.28Å; V299-A309 WeakPolarHBondContact CG1-O 3.49Å; V299-A309 WeakPolarHBondContact CG2-O 3.32Å; T300-A309 VanDerWaalsContact O-CB 3.29Å; T300-A309 WeakPolarHBondContact O-CB 3.4Å; T300-A309 PolarHBondContact O-N 3.47Å
310	K	95.7	Very high	92.9	Very high	65 Å²	65	57.2 Å²	57.2	28%	0.283	31%	0.311	S	S	.	.			trans	-63.7	146.4	-175.5	-62.5	-171.9	-170.9	-166.4	0	112.2	D116 L156 F308	D116-K310 WeakPolarHBondContact O-CE 3.4Å; D116-K310 PolarHBondContact O-NZ 2.89Å; L156-K310 WeakPolarHBondContact O-CE 3.28Å; L156-K310 PolarHBondContact O-NZ 3.24Å; F308-K310 HydrophobicContact CD1-CG 3.91Å; F308-K310 PolarHBondContact O-N 3.35Å
311	P	94.1	Very high	92.9	Very high	3 Å²	3	54 Å²	54	2%	0.019	29%	0.292	C	S	.	.			trans	-61.4	151.9	169.6	27.9	-33.2	0	0	0	109.9	T160 R161 F275 V404	T160-P311 WeakPolarHBondContact CB-O 3.36Å; T160-P311 CarbonylContact O-C 3.47Å; T160-P311 VanDerWaalsContact O-O 3.12Å; T160-P311 PolarHBondContact OG1-O 3.48Å; R161-P311 HydrophobicContact CG-CB 4.14Å; R161-P311 HydrophobicContact CG-CG 3.63Å; F275-P311 HydrophobicContact CD1-CG 3.98Å; F275-P311 HydrophobicContact CE1-CG 3.6Å; F275-P311 HydrophobicContact CZ-CG 4.05Å; P311-V404 HydrophobicContact CB-CG2 4.22Å; P311-V404 HydrophobicContact CG-CG2 4.26Å
312	V	91.3	Very high	92.7	Very high	72 Å²	72	55.3 Å²	55.3	44%	0.436	30%	0.299	S	S	.	.			trans	-110	147.3	176.1	-63.8	0	0	0	0	110.2	T160 R314 R316	T160-V312 CarbonylContact O-C 3.58Å; T160-V312 VanDerWaalsContact O-C 3.32Å; V312-R314 VanDerWaalsContact C-N 3.31Å; V312-R314 PolarHBondContact O-N 3.49Å; V312-R316 HydrophobicContact CG2-CB 3.76Å; V312-R316 HydrophobicContact CG2-CG 4.24Å
313	Q	87.6	Confident	92.6	Very high	116 Å²	116	53.1 Å²	53.1	54%	0.542	29%	0.287	S	S	.	.	S	Bend	trans	-68.4	-26.9	-175.7	-67.8	-175.3	-24	0	0	113.9	T160	T160-Q313 WeakPolarHBondContact O-CG 3.45Å; T160-Q313 PolarHBondContact O-N 3.39Å
314	R	84.2	Confident	92.4	Very high	224 Å²	224	53.9 Å²	53.9	85%	0.845	29%	0.291	S	S	*	.	S	Bend	trans	-145.7	153.2	-177.7	-65.5	-174.1	-177.4	-178.2	0.8	111.6	V312 R316	V312-R314 VanDerWaalsContact C-N 3.31Å; V312-R314 PolarHBondContact O-N 3.49Å; R314-R316 VanDerWaalsContact C-N 3.28Å; R314-R316 PolarHBondContact O-N 3.43Å
315	G	72.8	Confident	92.2	Very high	77 Å²	77	50.9 Å²	50.9	79%	0.794	28%	0.275	S	S	*	.			trans	72.2	17.3	168.5	0	0	0	0	0	114.8	V317	G315-V317 PolarHBondContact O-N 3.31Å
316	R	80.4	Confident	91.9	Very high	66 Å²	66	50 Å²	50	25%	0.249	27%	0.27	C	S	.	.			trans	-68.7	126.4	176.1	-167.1	167.8	-177.3	-173.5	-10.6	110	D297 V312 R314 H318	D297-R316 VanDerWaalsContact CG-NH2 3.3Å; D297-R316 IonicContact OD1-CZ 2.78Å; D297-R316 IonicContact OD1-NH2 3.88Å; D297-R316 PolarHBondContact OD1-NH2 3.47Å; D297-R316 VanDerWaalsContact OD1-NH2 3.14Å; D297-R316 IonicContact OD2-CZ 2.82Å; D297-R316 IonicContact OD2-NE 2.94Å; D297-R316 IonicContact OD2-NH1 2.7Å; D297-R316 PolarHBondContact OD2-NH1 2.95Å; D297-R316 IonicContact OD2-NH2 3.91Å; D297-R316 PolarHBondContact OD2-NH2 2.91Å; V312-R316 HydrophobicContact CG2-CB 3.76Å; V312-R316 HydrophobicContact CG2-CG 4.24Å; R314-R316 VanDerWaalsContact C-N 3.28Å; R314-R316 PolarHBondContact O-N 3.43Å; R316-H318 PolarHBondContact O-N 2.98Å
317	V	85.7	Confident	91.7	Very high	103 Å²	103	50 Å²	50	62%	0.624	27%	0.27	S	S	*	.			trans	-84.8	114	168.2	-178.7	0	0	0	0	107.3	G315 T333	G315-V317 PolarHBondContact O-N 3.31Å; V317-T333 HydrophobicContact CG1-CG2 4.21Å
318	H	92.3	Very high	91.3	Very high	15 Å²	15	48.7 Å²	48.7	7%	0.069	27%	0.269	C	S	.	.			trans	-82.9	150.9	175.5	-63.3	-71.2	0	0	0	111.5	R316 L334 R342 E345 I349	R316-H318 PolarHBondContact O-N 2.98Å; H318-L334 HydrophobicContact CB-CD1 3.77Å; H318-L334 HydrophobicContact CB-CG 4.01Å; H318-R342 PolarHBondContact CD2-NH1 3.46Å; H318-E345 IonicContact CD2-OE1 2.79Å; H318-E345 IonicContact CD2-OE2 2.68Å; H318-E345 IonicContact CE1-OE1 3.82Å; H318-E345 IonicContact CE1-OE2 3.55Å; H318-E345 PolarHBondContact CE1-OE2 3.04Å; H318-E345 IonicContact NE2-OE1 3.24Å; H318-E345 PolarHBondContact NE2-OE1 3.21Å; H318-E345 IonicContact NE2-OE2 3.24Å; H318-E345 PolarHBondContact NE2-OE2 3.04Å; H318-I349 HydrophobicContact CB-CD1 3.77Å
319	S	93.8	Very high	91.1	Very high	47 Å²	47	50.9 Å²	50.9	33%	0.329	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	150.7	171.3	-60.6	0	0	0	0	109.8	E332	S319-E332 CarbonylContact C-O 3.06Å; S319-E332 WeakPolarHBondContact CA-O 3.44Å; S319-E332 WeakPolarHBondContact CB-O 3.26Å
320	R	96.1	Very high	91	Very high	7 Å²	7	49.4 Å²	49.4	3%	0.026	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	159.2	167.1	69	-178.4	-170.3	175.4	-0.9	109.8	W331 E332 L334 P335 I349 I399 E487	R320-W331 WeakPolarHBondContact O-CA 3.39Å; R320-E332 HydrophobicContact CG-CG 3.83Å; R320-E332 IonicContact CZ-OE1 2.67Å; R320-E332 VanDerWaalsContact CZ-OE1 3.24Å; R320-E332 PolarHBondContact N-O 3.24Å; R320-E332 IonicContact NE-OE1 2.64Å; R320-E332 PolarHBondContact NE-OE1 2.94Å; R320-E332 IonicContact NH2-OE1 3.78Å; R320-E332 PolarHBondContact NH2-OE1 3.01Å; R320-E332 PolarHBondContact O-N 3.01Å; R320-L334 HydrophobicContact CB-CD2 3.74Å; R320-L334 HydrophobicContact CG-CD2 4.01Å; R320-P335 VanDerWaalsContact CZ-CD 3.5Å; R320-I349 HydrophobicContact CB-CG2 4.24Å; R320-I399 HydrophobicContact CB-CD1 4.45Å; R320-E487 IonicContact CZ-OE2 2.85Å; R320-E487 IonicContact NH1-OE2 2.82Å; R320-E487 IonicContact NH2-OE2 3.61Å; R320-E487 PolarHBondContact NH2-OE2 3.21Å
321	G	97.3	Very high	90.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	137.8	177	0	0	0	0	0	111.9	G330 S351 P352 T353	G321-G330 WeakPolarHBondContact CA-O 3.45Å; G321-S351 PolarHBondContact N-OG 2.99Å; G321-P352 VanDerWaalsContact O-CD 3.32Å; G321-P352 WeakPolarHBondContact O-CD 3.5Å; G321-T353 WeakPolarHBondContact CA-O 3.43Å; G321-T353 PolarHBondContact O-N 2.81Å; G321-T353 PolarHBondContact O-OG1 2.91Å
322	N	96.1	Very high	90.8	Very high	28 Å²	28	53.3 Å²	53.3	15%	0.15	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	-174.3	168.8	70.2	10.5	0	0	0	111.8	F329 G330 W331 E332 T353 Y485	N322-F329 WeakPolarHBondContact O-CD2 3.43Å; N322-G330 PolarHBondContact N-O 3.37Å; N322-G330 PolarHBondContact O-N 2.63Å; N322-G330 VanDerWaalsContact O-N 3.09Å; N322-G330 WeakPolarHBondContact OD1-CA 3.3Å; N322-G330 PolarHBondContact OD1-N 2.92Å; N322-G330 PolarHBondContact OD1-O 3.34Å; N322-G330 VanDerWaalsContact OD1-O 3.13Å; N322-W331 PolarHBondContact OD1-N 2.97Å; N322-E332 HydrophobicContact CB-CG 4.04Å; N322-E332 WeakPolarHBondContact ND2-CB 3.44Å; N322-E332 PolarHBondContact ND2-OE2 3.43Å; N322-T353 WeakPolarHBondContact CA-OG1 3.46Å; N322-T353 PolarHBondContact N-OG1 3Å; N322-T353 VanDerWaalsContact N-OG1 3.07Å; N322-T353 PolarHBondContact O-OG1 2.98Å; N322-Y485 HydrophobicContact CB-CE1 3.99Å; N322-Y485 VanDerWaalsContact CB-OH 3.28Å; N322-Y485 WeakPolarHBondContact CB-OH 3.34Å
323	F	95.3	Very high	91	Very high	3 Å²	3	54.2 Å²	54.2	1%	0.013	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	154.3	168.5	68.2	-76.4	0	0	0	109.4	L327 T328 T353 F388 F477 Y480 L481 Y485 M488	F323-L327 HydrophobicContact CD2-CD2 4.06Å; F323-L327 HydrophobicContact CE2-CD2 4.39Å; F323-T328 CarbonylContact C-O 3.57Å; F323-T328 WeakPolarHBondContact CA-O 3.25Å; F323-T353 HydrophobicContact CB-CG2 4.26Å; F323-T353 HydrophobicContact CD1-CG2 3.79Å; F323-T353 HydrophobicContact CG-CG2 4.43Å; F323-F388 AromaticContact CD1-CE1 3.87Å; F323-F388 HydrophobicContact CD1-CE1 3.87Å; F323-F388 HydrophobicContact CD1-CZ 4.04Å; F323-F388 HydrophobicContact CD2-CZ 4.01Å; F323-F388 AromaticContact CE1-CE1 3.68Å; F323-F388 HydrophobicContact CE1-CE1 3.68Å; F323-F388 AromaticContact CE1-CZ 3.88Å; F323-F388 HydrophobicContact CE1-CZ 3.88Å; F323-F388 AromaticContact CE2-CZ 3.87Å; F323-F388 HydrophobicContact CE2-CZ 3.87Å; F323-F388 HydrophobicContact CG-CE1 4.38Å; F323-F388 HydrophobicContact CG-CZ 4.12Å; F323-F388 HydrophobicContact CZ-CE1 4.04Å; F323-F388 AromaticContact CZ-CZ 3.8Å; F323-F388 HydrophobicContact CZ-CZ 3.8Å; F323-F477 HydrophobicContact CE2-CZ 4.3Å; F323-F477 AromaticContact CZ-CZ 3.82Å; F323-F477 HydrophobicContact CZ-CZ 3.82Å; F323-Y480 AromaticContact CE1-CE1 3.88Å; F323-Y480 HydrophobicContact CE1-CE1 3.88Å; F323-Y480 HydrophobicContact CZ-CE1 4.36Å; F323-L481 HydrophobicContact CZ-CD2 4.45Å; F323-Y485 HydrophobicContact CD1-CD1 4.34Å; F323-Y485 HydrophobicContact CD1-CE1 4.28Å; F323-Y485 AromaticContact CE1-CD1 3.85Å; F323-Y485 HydrophobicContact CE1-CD1 3.85Å; F323-Y485 HydrophobicContact CE1-CE1 4.13Å; F323-M488 HydrophobicContact CD1-CE 4.23Å; F323-M488 HydrophobicContact CD2-CE 4.32Å; F323-M488 HydrophobicContact CE1-CE 3.98Å; F323-M488 HydrophobicContact CE2-CE 4.07Å; F323-M488 HydrophobicContact CG-CE 4.38Å; F323-M488 HydrophobicContact CZ-CE 3.88Å; F323-M488 WeakPolarHBondContact O-CE 2.88Å
324	D	91.9	Very high	91.3	Very high	43 Å²	43	49 Å²	49	23%	0.23	26%	0.264	C	S	.	.			trans	-95.8	171.7	166.5	67.6	18.3	0	0	0	111.5	S326 L327 T328	D324-S326 PolarHBondContact O-N 3.22Å; D324-S326 VanDerWaalsContact O-N 3.08Å; D324-S326 VanDerWaalsContact OD1-C 3.25Å; D324-S326 VanDerWaalsContact OD1-CA 3.25Å; D324-S326 WeakPolarHBondContact OD1-CA 3.35Å; D324-S326 VanDerWaalsContact OD1-CB 3.26Å; D324-S326 WeakPolarHBondContact OD1-CB 3.19Å; D324-S326 PolarHBondContact OD1-N 3.3Å; D324-L327 WeakPolarHBondContact O-CA 3.38Å; D324-L327 PolarHBondContact O-N 2.74Å; D324-L327 PolarHBondContact OD1-N 3.33Å; D324-L327 VanDerWaalsContact OD1-N 3.13Å; D324-T328 PolarHBondContact N-O 3.29Å; D324-T328 WeakPolarHBondContact OD1-CB 3.21Å; D324-T328 PolarHBondContact OD1-N 2.86Å
325	W	92.4	Very high	91.8	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.011	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	2.4	177.6	-68.2	102.5	0	0	0	114.2	L327 M436 Y439 I442 F443 F477 L481 M488 F489 V490 P491	W325-L327 VanDerWaalsContact C-N 3.32Å; W325-M436 HydrophobicContact CE3-CE 4.36Å; W325-M436 HydrophobicContact CZ3-CE 4.05Å; W325-Y439 HydrophobicContact CH2-CD1 4.27Å; W325-I442 HydrophobicContact CB-CG2 3.95Å; W325-I442 HydrophobicContact CD2-CB 4.46Å; W325-I442 HydrophobicContact CD2-CG2 3.68Å; W325-I442 HydrophobicContact CE3-CB 3.88Å; W325-I442 HydrophobicContact CE3-CD1 4.11Å; W325-I442 HydrophobicContact CE3-CG2 3.58Å; W325-I442 HydrophobicContact CG-CG2 3.84Å; W325-I442 HydrophobicContact CH2-CD1 3.99Å; W325-I442 HydrophobicContact CZ2-CD1 4.44Å; W325-I442 HydrophobicContact CZ3-CB 4.27Å; W325-I442 HydrophobicContact CZ3-CD1 3.81Å; W325-I442 HydrophobicContact CZ3-CG2 4.33Å; W325-F443 WeakPolarHBondContact O-CA 3.38Å; W325-F477 HydrophobicContact CH2-CE1 4.24Å; W325-F477 HydrophobicContact CZ3-CE1 4.3Å; W325-L481 HydrophobicContact CH2-CD1 4.19Å; W325-L481 HydrophobicContact CH2-CD2 4.47Å; W325-M488 HydrophobicContact CZ2-CG 3.99Å; W325-M488 HydrophobicContact CZ2-SD 4.48Å; W325-F489 PolarHBondContact NE1-O 3.17Å; W325-V490 HydrophobicContact CH2-CG1 4.04Å; W325-V490 HydrophobicContact CZ2-CB 4.12Å; W325-V490 HydrophobicContact CZ2-CG1 3.86Å; W325-V490 HydrophobicContact CZ2-CG2 4.07Å; W325-P491 HydrophobicContact CD2-CG 4.48Å; W325-P491 HydrophobicContact CG-CG 4.2Å
326	S	90.1	Very high	92.7	Very high	21 Å²	21	39.8 Å²	39.8	15%	0.147	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	7.2	164.6	-57	0	0	0	0	111.9	D324 T328 Q428 I548	D324-S326 PolarHBondContact O-N 3.22Å; D324-S326 VanDerWaalsContact O-N 3.08Å; D324-S326 VanDerWaalsContact OD1-C 3.25Å; D324-S326 VanDerWaalsContact OD1-CA 3.25Å; D324-S326 WeakPolarHBondContact OD1-CA 3.35Å; D324-S326 VanDerWaalsContact OD1-CB 3.26Å; D324-S326 WeakPolarHBondContact OD1-CB 3.19Å; D324-S326 PolarHBondContact OD1-N 3.3Å; S326-T328 PolarHBondContact O-N 3.04Å; S326-Q428 PolarHBondContact O-NE2 2.8Å; S326-Q428 VanDerWaalsContact O-NE2 3.13Å; S326-I548 PolarHBondContact OG-O 3.3Å
327	L	94	Very high	93.3	Very high	3 Å²	3	41 Å²	41	2%	0.016	23%	0.228	C	C	.	.			trans	59	33.5	-178.2	-57.6	176.6	0	0	0	113.4	F323 D324 W325 F388 Q428 L431 A432 M436 F443	F323-L327 HydrophobicContact CD2-CD2 4.06Å; F323-L327 HydrophobicContact CE2-CD2 4.39Å; D324-L327 WeakPolarHBondContact O-CA 3.38Å; D324-L327 PolarHBondContact O-N 2.74Å; D324-L327 PolarHBondContact OD1-N 3.33Å; D324-L327 VanDerWaalsContact OD1-N 3.13Å; W325-L327 VanDerWaalsContact C-N 3.32Å; L327-F388 HydrophobicContact CD2-CE2 4.42Å; L327-Q428 HydrophobicContact CB-CG 4.16Å; L327-Q428 HydrophobicContact CD1-CB 4.12Å; L327-Q428 PolarHBondContact O-NE2 2.81Å; L327-L431 HydrophobicContact CD1-CD1 3.9Å; L327-L431 HydrophobicContact CD1-CG 4.42Å; L327-L431 HydrophobicContact CD2-CD1 4.45Å; L327-A432 HydrophobicContact CD1-CB 4.13Å; L327-M436 HydrophobicContact CD1-SD 3.85Å; L327-M436 HydrophobicContact CD2-CE 3.86Å; L327-M436 HydrophobicContact CD2-SD 3.61Å; L327-M436 HydrophobicContact CG-SD 4.3Å; L327-F443 HydrophobicContact CB-CD2 4.44Å; L327-F443 HydrophobicContact CB-CE2 4.37Å; L327-F443 HydrophobicContact CD1-CB 4.35Å; L327-F443 HydrophobicContact CD1-CD1 3.69Å; L327-F443 HydrophobicContact CD1-CD2 3.8Å; L327-F443 HydrophobicContact CD1-CE1 3.83Å; L327-F443 HydrophobicContact CD1-CE2 3.94Å; L327-F443 HydrophobicContact CD1-CG 3.68Å; L327-F443 HydrophobicContact CD1-CZ 3.96Å; L327-F443 HydrophobicContact CG-CB 4.43Å; L327-F443 HydrophobicContact CG-CD2 3.79Å; L327-F443 HydrophobicContact CG-CE2 4.13Å; L327-F443 HydrophobicContact CG-CG 4.01Å
328	T	91.3	Very high	93.6	Very high	73 Å²	73	36.3 Å²	36.3	45%	0.448	20%	0.199	S	C	.	.			trans	-95.8	134.1	173.5	-50.7	0	0	0	0	109.4	F323 D324 S326	F323-T328 CarbonylContact C-O 3.57Å; F323-T328 WeakPolarHBondContact CA-O 3.25Å; D324-T328 PolarHBondContact N-O 3.29Å; D324-T328 WeakPolarHBondContact OD1-CB 3.21Å; D324-T328 PolarHBondContact OD1-N 2.86Å; S326-T328 PolarHBondContact O-N 3.04Å
329	F	94.1	Very high	93.5	Very high	51 Å²	51	41.2 Å²	41.2	22%	0.224	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	144	173.3	172.2	-97.4	0	0	0	111.6	N322 W331 T353 F354 A355	N322-F329 WeakPolarHBondContact O-CD2 3.43Å; F329-W331 HydrophobicContact CE1-CD2 4.14Å; F329-W331 AromaticContact CE1-CE2 3.57Å; F329-W331 HydrophobicContact CE1-CG 4.44Å; F329-W331 AromaticContact CE1-CZ2 3.87Å; F329-W331 HydrophobicContact CE1-CZ2 3.87Å; F329-W331 AromaticContact CE1-NE1 3.52Å; F329-W331 AromaticContact CZ-CD2 3.91Å; F329-W331 HydrophobicContact CZ-CD2 3.91Å; F329-W331 AromaticContact CZ-CE2 3.6Å; F329-W331 HydrophobicContact CZ-CE3 4.23Å; F329-W331 HydrophobicContact CZ-CH2 4.04Å; F329-W331 AromaticContact CZ-CZ2 3.68Å; F329-W331 HydrophobicContact CZ-CZ2 3.68Å; F329-W331 HydrophobicContact CZ-CZ3 4.29Å; F329-T353 WeakPolarHBondContact CD2-OG1 3Å; F329-F354 WeakPolarHBondContact CD2-O 3.48Å; F329-F354 WeakPolarHBondContact CE2-O 3.45Å; F329-A355 HydrophobicContact CE1-CB 3.89Å; F329-A355 HydrophobicContact CE2-CB 4.42Å; F329-A355 HydrophobicContact CZ-CB 3.79Å
330	G	93.6	Very high	93.5	Very high	18 Å²	18	46.7 Å²	46.7	19%	0.186	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	-176.9	172.2	0	0	0	0	0	112.6	G321 N322	G321-G330 WeakPolarHBondContact CA-O 3.45Å; N322-G330 PolarHBondContact N-O 3.37Å; N322-G330 PolarHBondContact O-N 2.63Å; N322-G330 VanDerWaalsContact O-N 3.09Å; N322-G330 WeakPolarHBondContact OD1-CA 3.3Å; N322-G330 PolarHBondContact OD1-N 2.92Å; N322-G330 PolarHBondContact OD1-O 3.34Å; N322-G330 VanDerWaalsContact OD1-O 3.13Å
331	W	93.9	Very high	93.5	Very high	108 Å²	108	50.8 Å²	50.8	41%	0.409	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	138.7	176.9	-64.1	102.4	0	0	0	109.9	R320 N322 F329 A355 I399	R320-W331 WeakPolarHBondContact O-CA 3.39Å; N322-W331 PolarHBondContact OD1-N 2.97Å; F329-W331 HydrophobicContact CE1-CD2 4.14Å; F329-W331 AromaticContact CE1-CE2 3.57Å; F329-W331 HydrophobicContact CE1-CG 4.44Å; F329-W331 AromaticContact CE1-CZ2 3.87Å; F329-W331 HydrophobicContact CE1-CZ2 3.87Å; F329-W331 AromaticContact CE1-NE1 3.52Å; F329-W331 AromaticContact CZ-CD2 3.91Å; F329-W331 HydrophobicContact CZ-CD2 3.91Å; F329-W331 AromaticContact CZ-CE2 3.6Å; F329-W331 HydrophobicContact CZ-CE3 4.23Å; F329-W331 HydrophobicContact CZ-CH2 4.04Å; F329-W331 AromaticContact CZ-CZ2 3.68Å; F329-W331 HydrophobicContact CZ-CZ2 3.68Å; F329-W331 HydrophobicContact CZ-CZ3 4.29Å; W331-A355 HydrophobicContact CH2-CB 4.48Å; W331-A355 HydrophobicContact CZ2-CB 4.12Å; W331-I399 HydrophobicContact CZ3-CD1 4.11Å
332	E	93.4	Very high	93.4	Very high	41 Å²	41	52.1 Å²	52.1	19%	0.192	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	159.1	171.2	61.4	177.7	-154.4	0	0	111.6	S319 R320 N322 Y485	S319-E332 CarbonylContact C-O 3.06Å; S319-E332 WeakPolarHBondContact CA-O 3.44Å; S319-E332 WeakPolarHBondContact CB-O 3.26Å; R320-E332 HydrophobicContact CG-CG 3.83Å; R320-E332 IonicContact CZ-OE1 2.67Å; R320-E332 VanDerWaalsContact CZ-OE1 3.24Å; R320-E332 PolarHBondContact N-O 3.24Å; R320-E332 IonicContact NE-OE1 2.64Å; R320-E332 PolarHBondContact NE-OE1 2.94Å; R320-E332 IonicContact NH2-OE1 3.78Å; R320-E332 PolarHBondContact NH2-OE1 3.01Å; R320-E332 PolarHBondContact O-N 3.01Å; N322-E332 HydrophobicContact CB-CG 4.04Å; N322-E332 WeakPolarHBondContact ND2-CB 3.44Å; N322-E332 PolarHBondContact ND2-OE2 3.43Å; E332-Y485 VanDerWaalsContact CD-OH 3.29Å; E332-Y485 WeakPolarHBondContact OE1-CE2 3.38Å; E332-Y485 PolarHBondContact OE2-OH 3.5Å
333	T	94.9	Very high	93.3	Very high	91 Å²	91	59 Å²	59	56%	0.558	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	152.7	175.9	57.5	0	0	0	0	111.1	V317	V317-T333 HydrophobicContact CG1-CG2 4.21Å
334	L	94.8	Very high	93.2	Very high	6 Å²	6	61.6 Å²	61.6	3%	0.031	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-64.9	136.2	178.9	-54.2	-172.1	0	0	0	112	H318 R320 K339 I349	H318-L334 HydrophobicContact CB-CD1 3.77Å; H318-L334 HydrophobicContact CB-CG 4.01Å; R320-L334 HydrophobicContact CB-CD2 3.74Å; R320-L334 HydrophobicContact CG-CD2 4.01Å; L334-K339 HydrophobicContact CB-CG 4.01Å; L334-K339 VanDerWaalsContact O-CE 3.26Å; L334-K339 WeakPolarHBondContact O-CE 3.1Å; L334-I349 HydrophobicContact CD1-CD1 3.96Å; L334-I349 HydrophobicContact CD1-CG1 4.1Å; L334-I349 HydrophobicContact CD1-CG2 4.16Å; L334-I349 HydrophobicContact CD2-CG2 3.46Å; L334-I349 VanDerWaalsContact CD2-CG2 3.46Å; L334-I349 HydrophobicContact CG-CG2 4.46Å
335	P	93.3	Very high	93.4	Very high	12 Å²	12	61.2 Å²	61.2	8%	0.078	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-67.9	157.6	174.5	29.5	-35.7	0	0	0	111.4	R320 H337 E338 K339 E487	R320-P335 VanDerWaalsContact CZ-CD 3.5Å; P335-H337 VanDerWaalsContact C-N 3.3Å; P335-H337 WeakPolarHBondContact CG-CE1 3.31Å; P335-H337 PolarHBondContact O-N 2.99Å; P335-E338 HydrophobicContact CG-CB 3.9Å; P335-E338 PolarHBondContact O-N 3.14Å; P335-E338 VanDerWaalsContact O-N 3.15Å; P335-K339 PolarHBondContact O-N 2.75Å; P335-E487 HydrophobicContact CB-CG 4.14Å
336	P	92.1	Very high	93.6	Very high	96 Å²	96	63 Å²	63	62%	0.623	31%	0.312	S	S	*	.	H	α-helix	trans	-56.8	-39.2	-176.6	-27.1	35.2	0	0	0	114.2	E338 K339 Q340	P336-E338 VanDerWaalsContact C-N 3.31Å; P336-E338 PolarHBondContact O-N 2.89Å; P336-K339 PolarHBondContact O-N 3.42Å; P336-Q340 WeakPolarHBondContact O-CG 2.98Å; P336-Q340 PolarHBondContact O-N 2.87Å
337	H	91.9	Very high	93.9	Very high	92 Å²	92	65.4 Å²	65.4	43%	0.426	32%	0.319	S	S	.	.	H	α-helix	trans	-63.8	-37.3	-179.3	74.9	-96.3	0	0	0	111.8	P335 Q340 R341 E487	P335-H337 VanDerWaalsContact C-N 3.3Å; P335-H337 WeakPolarHBondContact CG-CE1 3.31Å; P335-H337 PolarHBondContact O-N 2.99Å; H337-Q340 PolarHBondContact O-N 3.42Å; H337-R341 PolarHBondContact O-N 3.35Å; H337-E487 IonicContact CE1-OE1 3.36Å; H337-E487 PolarHBondContact CE1-OE1 3.38Å; H337-E487 IonicContact ND1-OE1 3.36Å; H337-E487 PolarHBondContact ND1-OE1 2.57Å
338	E	93.4	Very high	94.1	Very high	4 Å²	4	66.4 Å²	66.4	2%	0.019	33%	0.325	C	S	.	.	H	α-helix	trans	-72.6	-35.7	178.9	-177.2	61.7	-177.6	0	0	111.2	P335 P336 Q340 R341 R342 I349 K350	P335-E338 HydrophobicContact CG-CB 3.9Å; P335-E338 PolarHBondContact O-N 3.14Å; P335-E338 VanDerWaalsContact O-N 3.15Å; P336-E338 VanDerWaalsContact C-N 3.31Å; P336-E338 PolarHBondContact O-N 2.89Å; E338-Q340 VanDerWaalsContact C-N 3.32Å; E338-Q340 PolarHBondContact O-N 3.06Å; E338-R341 PolarHBondContact O-N 2.82Å; E338-R341 IonicContact OE1-CZ 2.63Å; E338-R341 IonicContact OE1-NE 3.71Å; E338-R341 IonicContact OE1-NH2 3.79Å; E338-R341 PolarHBondContact OE1-NH2 2.99Å; E338-R341 IonicContact OE2-CZ 3.77Å; E338-R341 IonicContact OE2-NE 2.77Å; E338-R341 PolarHBondContact OE2-NE 2.93Å; E338-R341 IonicContact OE2-NH2 3.49Å; E338-R341 PolarHBondContact OE2-NH2 3.33Å; E338-R342 WeakPolarHBondContact O-CG 3.41Å; E338-R342 PolarHBondContact O-N 2.92Å; E338-I349 WeakPolarHBondContact OE1-CA 3.42Å; E338-K350 PolarHBondContact OE1-N 2.92Å
339	K	90.8	Very high	94.4	Very high	118 Å²	118	63 Å²	63	51%	0.513	30%	0.304	S	S	.	.	H	α-helix	trans	-63.4	-37.6	171.1	-67.5	179.2	179.4	173.1	0	112.3	L334 P335 P336	L334-K339 HydrophobicContact CB-CG 4.01Å; L334-K339 VanDerWaalsContact O-CE 3.26Å; L334-K339 WeakPolarHBondContact O-CE 3.1Å; P335-K339 PolarHBondContact O-N 2.75Å; P336-K339 PolarHBondContact O-N 3.42Å
340	Q	93.3	Very high	94.6	Very high	163 Å²	163	64.2 Å²	64.2	76%	0.762	31%	0.309	S	S	*	.	H	α-helix	trans	-72.7	-32.8	178.3	-72.2	171	4.3	0	0	112.9	P336 H337 E338	P336-Q340 WeakPolarHBondContact O-CG 2.98Å; P336-Q340 PolarHBondContact O-N 2.87Å; H337-Q340 PolarHBondContact O-N 3.42Å; E338-Q340 VanDerWaalsContact C-N 3.32Å; E338-Q340 PolarHBondContact O-N 3.06Å
341	R	95.4	Very high	94.8	Very high	93 Å²	93	63.4 Å²	63.4	35%	0.351	30%	0.301	S	S	.	.	H	α-helix	trans	-67	-36	179	-171.1	-170.7	65.7	74.6	1.2	112.5	H337 E338 P348	H337-R341 PolarHBondContact O-N 3.35Å; E338-R341 PolarHBondContact O-N 2.82Å; E338-R341 IonicContact OE1-CZ 2.63Å; E338-R341 IonicContact OE1-NE 3.71Å; E338-R341 IonicContact OE1-NH2 3.79Å; E338-R341 PolarHBondContact OE1-NH2 2.99Å; E338-R341 IonicContact OE2-CZ 3.77Å; E338-R341 IonicContact OE2-NE 2.77Å; E338-R341 PolarHBondContact OE2-NE 2.93Å; E338-R341 IonicContact OE2-NH2 3.49Å; E338-R341 PolarHBondContact OE2-NH2 3.33Å; R341-P348 PolarHBondContact NH2-O 2.69Å
342	R	94.8	Very high	95	Very high	28 Å²	28	58.3 Å²	58.3	11%	0.106	28%	0.282	C	S	.	.			trans	-83.2	122.5	-175.5	-64.6	174.9	64.1	-131.3	-14	110.1	H318 E338 E345 Y347 I349 P401	H318-R342 PolarHBondContact CD2-NH1 3.46Å; E338-R342 WeakPolarHBondContact O-CG 3.41Å; E338-R342 PolarHBondContact O-N 2.92Å; R342-E345 IonicContact CZ-OE2 2.72Å; R342-E345 IonicContact NH1-OE2 3.64Å; R342-E345 IonicContact NH2-OE1 3.52Å; R342-E345 IonicContact NH2-OE2 3.64Å; R342-E345 PolarHBondContact NH2-OE2 3.26Å; R342-Y347 PolarHBondContact NE-O 3.05Å; R342-I349 VanDerWaalsContact CZ-CG1 3.48Å; R342-P401 VanDerWaalsContact NH2-CG 3.34Å
343	K	93.7	Very high	95.3	Very high	172 Å²	172	56.4 Å²	56.4	75%	0.748	27%	0.273	S	S	*	.	S	Bend	trans	-82.8	-34.1	179.6	-60.8	-174.3	-172.6	170.2	0	112.7	Y347	K343-Y347 HydrophobicContact CB-CD2 4.37Å; K343-Y347 HydrophobicContact CB-CE2 3.94Å; K343-Y347 HydrophobicContact CD-CE2 4.46Å; K343-Y347 WeakPolarHBondContact CD-OH 3.21Å; K343-Y347 HydrophobicContact CG-CE1 4.4Å; K343-Y347 HydrophobicContact CG-CE2 4.33Å
344	D	94.4	Very high	95.4	Very high	57 Å²	57	52.2 Å²	52.2	31%	0.305	25%	0.247	S	C	.	.	S	Bend	trans	-155.6	-178	-178.2	60.1	55	0	0	0	109.7	E164 T346 Y347	E164-D344 HydrophobicContact CG-CB 4.11Å; D344-T346 VanDerWaalsContact C-N 3.27Å; D344-T346 PolarHBondContact O-N 2.91Å; D344-T346 WeakPolarHBondContact OD1-CA 3.5Å; D344-T346 VanDerWaalsContact OD1-CB 3.26Å; D344-T346 WeakPolarHBondContact OD1-CB 3.13Å; D344-T346 PolarHBondContact OD1-N 3.48Å; D344-T346 PolarHBondContact OD1-OG1 3.12Å; D344-Y347 PolarHBondContact O-N 3.3Å; D344-Y347 WeakPolarHBondContact OD1-CD2 2.93Å
345	E	95.3	Very high	95.4	Very high	36 Å²	36	53.3 Å²	53.3	17%	0.168	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-8.5	-175.3	-64.2	-68.5	172.5	0	0	114.7	P162 E164 H318 R342 Y347 P401 C402	P162-E345 HydrophobicContact CB-CB 4Å; P162-E345 HydrophobicContact CB-CG 3.97Å; P162-E345 HydrophobicContact CG-CB 3.9Å; P162-E345 HydrophobicContact CG-CG 3.69Å; E164-E345 HydrophobicContact CG-CB 4.09Å; E164-E345 WeakPolarHBondContact OE1-CB 3.29Å; E164-E345 WeakPolarHBondContact OE1-CG 3.26Å; E164-E345 PolarHBondContact OE1-N 2.04Å; E164-E345 VanDerWaalsContact OE1-N 3.16Å; H318-E345 IonicContact CD2-OE1 2.79Å; H318-E345 IonicContact CD2-OE2 2.68Å; H318-E345 IonicContact CE1-OE1 3.82Å; H318-E345 IonicContact CE1-OE2 3.55Å; H318-E345 PolarHBondContact CE1-OE2 3.04Å; H318-E345 IonicContact NE2-OE1 3.24Å; H318-E345 PolarHBondContact NE2-OE1 3.21Å; H318-E345 IonicContact NE2-OE2 3.24Å; H318-E345 PolarHBondContact NE2-OE2 3.04Å; R342-E345 IonicContact CZ-OE2 2.72Å; R342-E345 IonicContact NH1-OE2 3.64Å; R342-E345 IonicContact NH2-OE1 3.52Å; R342-E345 IonicContact NH2-OE2 3.64Å; R342-E345 PolarHBondContact NH2-OE2 3.26Å; E345-Y347 VanDerWaalsContact C-N 3.26Å; E345-Y347 PolarHBondContact O-N 2.86Å; E345-P401 WeakPolarHBondContact O-CG 3.4Å; E345-P401 WeakPolarHBondContact OE2-CB 3.22Å; E345-C402 PolarHBondContact O-SG 3.46Å; E345-C402 VanDerWaalsContact O-SG 3.36Å
346	T	96.3	Very high	95.3	Very high	40 Å²	40	52.8 Å²	52.8	25%	0.245	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-17.4	172.8	75.4	0	0	0	0	112.5	E164 D344	E164-T346 HydrophobicContact CB-CG2 4.07Å; E164-T346 HydrophobicContact CG-CG2 4.04Å; D344-T346 VanDerWaalsContact C-N 3.27Å; D344-T346 PolarHBondContact O-N 2.91Å; D344-T346 WeakPolarHBondContact OD1-CA 3.5Å; D344-T346 VanDerWaalsContact OD1-CB 3.26Å; D344-T346 WeakPolarHBondContact OD1-CB 3.13Å; D344-T346 PolarHBondContact OD1-N 3.48Å; D344-T346 PolarHBondContact OD1-OG1 3.12Å
347	Y	97.2	Very high	95.2	Very high	72 Å²	72	48.8 Å²	48.8	28%	0.282	23%	0.23	S	C	.	.	S	Bend	trans	-75.6	130.9	178.3	-79.9	-117.2	0	0	0	110.8	R342 K343 D344 E345	R342-Y347 PolarHBondContact NE-O 3.05Å; K343-Y347 HydrophobicContact CB-CD2 4.37Å; K343-Y347 HydrophobicContact CB-CE2 3.94Å; K343-Y347 HydrophobicContact CD-CE2 4.46Å; K343-Y347 WeakPolarHBondContact CD-OH 3.21Å; K343-Y347 HydrophobicContact CG-CE1 4.4Å; K343-Y347 HydrophobicContact CG-CE2 4.33Å; D344-Y347 PolarHBondContact O-N 3.3Å; D344-Y347 WeakPolarHBondContact OD1-CD2 2.93Å; E345-Y347 VanDerWaalsContact C-N 3.26Å; E345-Y347 PolarHBondContact O-N 2.86Å
348	P	97.8	Very high	95.5	Very high	23 Å²	23	44.6 Å²	44.6	15%	0.149	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-59.7	152.1	176	25.4	-34.1	0	0	0	110.7	R341 E398 I400	R341-P348 PolarHBondContact NH2-O 2.69Å; P348-E398 HydrophobicContact CB-CB 3.93Å; P348-E398 HydrophobicContact CB-CG 4.04Å; P348-E398 VanDerWaalsContact CB-OE2 3.22Å; P348-E398 WeakPolarHBondContact CB-OE2 3.41Å; P348-I400 HydrophobicContact CB-CD1 3.63Å
349	I	98.3	Very high	95.8	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.5	170.3	-64.6	166.3	0	0	0	108.1	H318 R320 L334 E338 R342 S351 E398 I399 P401	H318-I349 HydrophobicContact CB-CD1 3.77Å; R320-I349 HydrophobicContact CB-CG2 4.24Å; L334-I349 HydrophobicContact CD1-CD1 3.96Å; L334-I349 HydrophobicContact CD1-CG1 4.1Å; L334-I349 HydrophobicContact CD1-CG2 4.16Å; L334-I349 HydrophobicContact CD2-CG2 3.46Å; L334-I349 VanDerWaalsContact CD2-CG2 3.46Å; L334-I349 HydrophobicContact CG-CG2 4.46Å; E338-I349 WeakPolarHBondContact OE1-CA 3.42Å; R342-I349 VanDerWaalsContact CZ-CG1 3.48Å; I349-S351 PolarHBondContact O-N 2.73Å; I349-E398 CarbonylContact O-C 3.53Å; I349-E398 VanDerWaalsContact O-CA 3.26Å; I349-E398 WeakPolarHBondContact O-CA 3.37Å; I349-I399 HydrophobicContact CB-CB 4.23Å; I349-I399 PolarHBondContact N-O 2.99Å; I349-I399 PolarHBondContact O-N 3.35Å; I349-P401 HydrophobicContact CD1-CG 3.78Å; I349-P401 HydrophobicContact CG1-CG 4.09Å
350	K	98	Very high	96.2	Very high	78 Å²	78	38.9 Å²	38.9	34%	0.339	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	128.4	173.2	-69.1	-171.1	173.2	-158	0	110.5	E338 W391	E338-K350 PolarHBondContact OE1-N 2.92Å; K350-W391 HydrophobicContact CB-CH2 4.42Å; K350-W391 HydrophobicContact CB-CZ2 4.5Å; K350-W391 HydrophobicContact CD-CH2 4.17Å; K350-W391 HydrophobicContact CG-CH2 4.38Å
351	S	98.3	Very high	96.4	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.007	15%	0.149	C	C	.	.			trans	-123.4	122.7	-172.9	-161.1	0	0	0	0	111.2	G321 I349 T353 W391 L397	G321-S351 PolarHBondContact N-OG 2.99Å; I349-S351 PolarHBondContact O-N 2.73Å; S351-T353 VanDerWaalsContact C-N 3.27Å; S351-T353 WeakPolarHBondContact CB-O 3.04Å; S351-T353 PolarHBondContact O-N 3.08Å; S351-T353 PolarHBondContact OG-O 3.13Å; S351-W391 PolarHBondContact O-NE1 2.72Å; S351-L397 PolarHBondContact N-O 3.49Å; S351-L397 WeakPolarHBondContact O-CB 3.08Å
352	P	98.4	Very high	96.6	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	13%	0.134	C	C	.	.	S	Bend	trans	-53.5	-45.6	175.9	-29.2	34.4	0	0	0	112.8	G321 W391 Y480 V484 Y485	G321-P352 VanDerWaalsContact O-CD 3.32Å; G321-P352 WeakPolarHBondContact O-CD 3.5Å; P352-W391 PolarHBondContact O-NE1 3.44Å; P352-Y480 PolarHBondContact O-OH 3.35Å; P352-V484 HydrophobicContact CB-CG1 4.48Å; P352-Y485 HydrophobicContact CB-CD1 3.79Å; P352-Y485 HydrophobicContact CB-CD2 4.42Å; P352-Y485 HydrophobicContact CB-CE1 4.38Å; P352-Y485 HydrophobicContact CB-CG 3.82Å; P352-Y485 HydrophobicContact CG-CD1 4.07Å; P352-Y485 HydrophobicContact CG-CD2 3.79Å; P352-Y485 HydrophobicContact CG-CE2 4.3Å; P352-Y485 HydrophobicContact CG-CG 3.68Å
353	T	98.3	Very high	96.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-130.4	174.1	173.4	67.5	0	0	0	0	110.6	G321 N322 F323 F329 S351 S387 F388	G321-T353 WeakPolarHBondContact CA-O 3.43Å; G321-T353 PolarHBondContact O-N 2.81Å; G321-T353 PolarHBondContact O-OG1 2.91Å; N322-T353 WeakPolarHBondContact CA-OG1 3.46Å; N322-T353 PolarHBondContact N-OG1 3Å; N322-T353 VanDerWaalsContact N-OG1 3.07Å; N322-T353 PolarHBondContact O-OG1 2.98Å; F323-T353 HydrophobicContact CB-CG2 4.26Å; F323-T353 HydrophobicContact CD1-CG2 3.79Å; F323-T353 HydrophobicContact CG-CG2 4.43Å; F329-T353 WeakPolarHBondContact CD2-OG1 3Å; S351-T353 VanDerWaalsContact C-N 3.27Å; S351-T353 WeakPolarHBondContact CB-O 3.04Å; S351-T353 PolarHBondContact O-N 3.08Å; S351-T353 PolarHBondContact OG-O 3.13Å; T353-S387 VanDerWaalsContact CA-OG 3.28Å; T353-S387 WeakPolarHBondContact CA-OG 3.31Å; T353-S387 WeakPolarHBondContact CB-OG 3.45Å; T353-F388 HydrophobicContact CG2-CE1 4.4Å
354	F	97.5	Very high	97	Very high	3 Å²	3	22.7 Å²	22.7	1%	0.013	13%	0.125	C	C	.	.			trans	-134.2	159.2	173.8	75.2	-44.3	0	0	0	110.2	V293 F329 G356 F359 N383 M386 S387 L397	V293-F354 HydrophobicContact CG1-CE2 4.44Å; F329-F354 WeakPolarHBondContact CD2-O 3.48Å; F329-F354 WeakPolarHBondContact CE2-O 3.45Å; F354-G356 PolarHBondContact O-N 2.89Å; F354-F359 HydrophobicContact CD2-CB 4.16Å; F354-F359 HydrophobicContact CD2-CD1 4.42Å; F354-F359 HydrophobicContact CD2-CG 4.35Å; F354-F359 HydrophobicContact CE2-CB 3.97Å; F354-F359 AromaticContact CE2-CD1 3.59Å; F354-F359 HydrophobicContact CE2-CD1 3.59Å; F354-F359 HydrophobicContact CE2-CD2 4.19Å; F354-F359 HydrophobicContact CE2-CE1 4.03Å; F354-F359 AromaticContact CE2-CG 3.66Å; F354-F359 HydrophobicContact CE2-CG 3.66Å; F354-F359 HydrophobicContact CE2-CZ 4.48Å; F354-F359 HydrophobicContact CZ-CD1 4.45Å; F354-F359 HydrophobicContact CZ-CE1 4.47Å; F354-N383 HydrophobicContact CE1-CB 4.35Å; F354-N383 VanDerWaalsContact CE1-O 3.25Å; F354-N383 WeakPolarHBondContact CE1-O 3.03Å; F354-N383 PolarHBondContact O-ND2 3.06Å; F354-N383 VanDerWaalsContact O-ND2 3.12Å; F354-M386 HydrophobicContact CE1-CB 4.11Å; F354-M386 HydrophobicContact CE1-CG 4.15Å; F354-M386 HydrophobicContact CZ-CB 4.3Å; F354-M386 HydrophobicContact CZ-CG 4.02Å; F354-M386 HydrophobicContact CZ-SD 3.83Å; F354-S387 VanDerWaalsContact CD1-OG 3.29Å; F354-S387 WeakPolarHBondContact CD1-OG 3.42Å; F354-S387 PolarHBondContact N-OG 3.07Å; F354-L397 HydrophobicContact CD1-CD1 4.24Å; F354-L397 HydrophobicContact CD1-CD2 4.48Å
355	A	94.5	Very high	97.2	Very high	30 Å²	30	20.7 Å²	20.7	25%	0.248	11%	0.114	C	C	.	.			trans	-64.4	-25.4	-179.1	0	0	0	0	0	112.4	I298 F329 W331 G357	I298-A355 HydrophobicContact CD1-CB 3.95Å; F329-A355 HydrophobicContact CE1-CB 3.89Å; F329-A355 HydrophobicContact CE2-CB 4.42Å; F329-A355 HydrophobicContact CZ-CB 3.79Å; W331-A355 HydrophobicContact CH2-CB 4.48Å; W331-A355 HydrophobicContact CZ2-CB 4.12Å; A355-G357 PolarHBondContact O-N 3.4Å
356	G	90.6	Very high	97.4	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.01	11%	0.106	C	C	.	.	S	Bend	trans	82	-20.8	176.6	0	0	0	0	0	115.1	R253 F354	R253-G356 VanDerWaalsContact CZ-O 3.27Å; R253-G356 PolarHBondContact NH1-O 3.35Å; R253-G356 PolarHBondContact NH2-O 2.65Å; F354-G356 PolarHBondContact O-N 2.89Å
357	G	91.4	Very high	97.5	Very high	12 Å²	12	22.2 Å²	22.2	12%	0.124	12%	0.118	C	C	.	.	S	Bend	trans	-63.4	-48.4	176.9	0	0	0	0	0	113.5	R253 A355	R253-G357 VanDerWaalsContact NH2-CA 3.33Å; R253-G357 PolarHBondContact NH2-O 3.16Å; A355-G357 PolarHBondContact O-N 3.4Å
358	L	98.3	Very high	97.6	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.021	13%	0.13	C	C	.	.	S	Bend	trans	-126.5	116.6	-170.1	-63.3	73.8	0	0	0	110.4	F267 L268 P296 I298 V405	F267-L358 VanDerWaalsContact O-CA 3.31Å; F267-L358 WeakPolarHBondContact O-CA 3.07Å; L268-L358 HydrophobicContact CD2-CB 4.15Å; L268-L358 HydrophobicContact CD2-CD2 3.87Å; L268-L358 HydrophobicContact CD2-CG 3.85Å; P296-L358 WeakPolarHBondContact CD-O 3.46Å; P296-L358 HydrophobicContact CG-CB 3.83Å; P296-L358 HydrophobicContact CG-CD2 4.19Å; I298-L358 HydrophobicContact CD1-CB 4.27Å; I298-L358 HydrophobicContact CD1-CD1 4.16Å; I298-L358 HydrophobicContact CG1-CD2 4.41Å; L358-V405 HydrophobicContact CD2-CB 3.66Å; L358-V405 HydrophobicContact CD2-CG1 3.37Å; L358-V405 HydrophobicContact CD2-CG2 4.48Å
359	F	98.8	Very high	97.6	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	162.5	176.3	68.8	-79.6	0	0	0	112.2	T266 F267 V293 V294 F354 I361 Y372 M386	T266-F359 CarbonylContact C-O 3.33Å; T266-F359 WeakPolarHBondContact CA-O 3.31Å; F267-F359 HydrophobicContact CB-CD1 4.04Å; F267-F359 HydrophobicContact CB-CE1 3.84Å; F267-F359 HydrophobicContact CB-CZ 4.4Å; F267-F359 HydrophobicContact CD2-CD1 4.17Å; F267-F359 HydrophobicContact CD2-CD2 4.16Å; F267-F359 AromaticContact CD2-CE1 3.55Å; F267-F359 HydrophobicContact CD2-CE1 3.55Å; F267-F359 AromaticContact CD2-CE2 3.54Å; F267-F359 HydrophobicContact CD2-CE2 3.54Å; F267-F359 HydrophobicContact CD2-CG 4.46Å; F267-F359 AromaticContact CD2-CZ 3.2Å; F267-F359 HydrophobicContact CD2-CZ 3.2Å; F267-F359 HydrophobicContact CE2-CE1 4.35Å; F267-F359 AromaticContact CE2-CE2 3.84Å; F267-F359 HydrophobicContact CE2-CE2 3.84Å; F267-F359 AromaticContact CE2-CZ 3.6Å; F267-F359 HydrophobicContact CE2-CZ 3.6Å; F267-F359 HydrophobicContact CG-CD1 4.47Å; F267-F359 AromaticContact CG-CE1 3.87Å; F267-F359 HydrophobicContact CG-CE1 3.87Å; F267-F359 AromaticContact CG-CZ 3.96Å; F267-F359 HydrophobicContact CG-CZ 3.96Å; F267-F359 PolarHBondContact N-O 3.41Å; F267-F359 PolarHBondContact O-N 2.85Å; V293-F359 HydrophobicContact CG1-CB 4.38Å; V293-F359 HydrophobicContact CG1-CD2 3.52Å; V293-F359 HydrophobicContact CG1-CE2 4.12Å; V293-F359 HydrophobicContact CG1-CG 4.26Å; V294-F359 CarbonylContact O-C 3.59Å; V294-F359 VanDerWaalsContact O-CA 3.26Å; V294-F359 WeakPolarHBondContact O-CA 3.5Å; V294-F359 WeakPolarHBondContact O-CB 3.5Å; F354-F359 HydrophobicContact CD2-CB 4.16Å; F354-F359 HydrophobicContact CD2-CD1 4.42Å; F354-F359 HydrophobicContact CD2-CG 4.35Å; F354-F359 HydrophobicContact CE2-CB 3.97Å; F354-F359 AromaticContact CE2-CD1 3.59Å; F354-F359 HydrophobicContact CE2-CD1 3.59Å; F354-F359 HydrophobicContact CE2-CD2 4.19Å; F354-F359 HydrophobicContact CE2-CE1 4.03Å; F354-F359 AromaticContact CE2-CG 3.66Å; F354-F359 HydrophobicContact CE2-CG 3.66Å; F354-F359 HydrophobicContact CE2-CZ 4.48Å; F354-F359 HydrophobicContact CZ-CD1 4.45Å; F354-F359 HydrophobicContact CZ-CE1 4.47Å; F359-I361 HydrophobicContact CD2-CB 4.27Å; F359-I361 HydrophobicContact CD2-CG2 4.24Å; F359-I361 HydrophobicContact CE2-CB 4.18Å; F359-I361 HydrophobicContact CE2-CG2 3.76Å; F359-Y372 WeakPolarHBondContact CE1-OH 3.45Å; F359-Y372 WeakPolarHBondContact CZ-OH 3.48Å; F359-M386 HydrophobicContact CE2-CE 3.83Å; F359-M386 HydrophobicContact CE2-SD 4.42Å; F359-M386 HydrophobicContact CZ-CE 4.18Å; F359-M386 HydrophobicContact CZ-SD 4.21Å
360	S	98.9	Very high	97.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	144.7	168.8	-57.1	0	0	0	0	111.4	L265 T266 V294	L265-S360 CarbonylContact O-C 3.56Å; L265-S360 VanDerWaalsContact O-CA 3.22Å; L265-S360 WeakPolarHBondContact O-CA 3.34Å; T266-S360 WeakPolarHBondContact CB-OG 3.47Å; T266-S360 VanDerWaalsContact CG2-OG 3.32Å; T266-S360 WeakPolarHBondContact CG2-OG 3.42Å; T266-S360 PolarHBondContact OG1-OG 3.3Å; V294-S360 PolarHBondContact N-O 2.92Å; V294-S360 PolarHBondContact O-N 3.31Å
361	I	98.9	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	144	179.4	-170.4	171.2	0	0	0	110.3	V264 L265 F267 V293 F359 K363 Y365 F366 I369 M386	V264-I361 WeakPolarHBondContact CA-O 3.38Å; V264-I361 WeakPolarHBondContact CG1-O 3.32Å; L265-I361 HydrophobicContact CB-CG2 4.17Å; L265-I361 PolarHBondContact N-O 2.74Å; L265-I361 PolarHBondContact O-N 2.86Å; F267-I361 HydrophobicContact CE2-CG2 4.28Å; V293-I361 HydrophobicContact CG1-CB 4.37Å; V293-I361 HydrophobicContact CG1-CD1 4.44Å; V293-I361 HydrophobicContact CG2-CD1 3.52Å; V293-I361 HydrophobicContact CG2-CG1 3.96Å; F359-I361 HydrophobicContact CD2-CB 4.27Å; F359-I361 HydrophobicContact CD2-CG2 4.24Å; F359-I361 HydrophobicContact CE2-CB 4.18Å; F359-I361 HydrophobicContact CE2-CG2 3.76Å; I361-K363 PolarHBondContact O-N 3.08Å; I361-Y365 HydrophobicContact CD1-CD1 3.89Å; I361-Y365 HydrophobicContact CD1-CE1 4.44Å; I361-Y365 HydrophobicContact CG1-CD1 3.98Å; I361-F366 HydrophobicContact CD1-CB 3.89Å; I361-F366 HydrophobicContact CD1-CD2 4.07Å; I361-F366 HydrophobicContact CD1-CG 4.48Å; I361-F366 HydrophobicContact CG1-CB 4.24Å; I361-F366 HydrophobicContact CG2-CB 3.94Å; I361-F366 HydrophobicContact CG2-CD2 4.18Å; I361-F366 HydrophobicContact CG2-CG 4.26Å; I361-I369 HydrophobicContact CD1-CD1 3.94Å; I361-M386 HydrophobicContact CD1-CE 3.72Å
362	S	98.8	Very high	97.5	Very high	5 Å²	5	22 Å²	22	4%	0.035	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	130	168.9	171.3	0	0	0	0	110.1	S364 Y365 F366	S362-S364 VanDerWaalsContact C-N 3.33Å; S362-S364 PolarHBondContact O-N 3.44Å; S362-S364 PolarHBondContact OG-OG 3.47Å; S362-S364 VanDerWaalsContact OG-OG 3.04Å; S362-Y365 PolarHBondContact O-N 2.87Å; S362-Y365 VanDerWaalsContact O-N 3.11Å; S362-F366 WeakPolarHBondContact O-CB 3.48Å; S362-F366 PolarHBondContact O-N 2.95Å
363	K	98.8	Very high	97.5	Very high	43 Å²	43	22 Å²	22	19%	0.187	13%	0.125	C	C	.	.	H	α-helix	trans	-57.5	-46.3	180	-177.6	178.8	178	-176.4	0	111.5	A260 E263 L265 I361 Y365 F366 E367	A260-K363 PolarHBondContact O-NZ 3.29Å; E263-K363 WeakPolarHBondContact O-CB 3.15Å; E263-K363 PolarHBondContact O-N 3.38Å; L265-K363 HydrophobicContact CD1-CB 4.39Å; L265-K363 HydrophobicContact CD1-CG 4.23Å; L265-K363 HydrophobicContact CD2-CB 4.16Å; L265-K363 HydrophobicContact CD2-CD 4.23Å; L265-K363 HydrophobicContact CD2-CG 4.13Å; L265-K363 HydrophobicContact CG-CB 3.96Å; L265-K363 HydrophobicContact CG-CG 4.19Å; I361-K363 PolarHBondContact O-N 3.08Å; K363-Y365 VanDerWaalsContact C-N 3.29Å; K363-Y365 PolarHBondContact O-N 3.04Å; K363-F366 WeakPolarHBondContact O-CB 3.5Å; K363-F366 PolarHBondContact O-N 2.65Å; K363-E367 WeakPolarHBondContact CE-OE1 3.47Å; K363-E367 WeakPolarHBondContact O-CG 3.36Å; K363-E367 PolarHBondContact O-N 3.04Å
364	S	98.6	Very high	97.3	Very high	68 Å²	68	25.5 Å²	25.5	48%	0.476	14%	0.143	S	C	.	.	H	α-helix	trans	-63.2	-36	177.7	55.2	0	0	0	0	112.3	S362 H368	S362-S364 VanDerWaalsContact C-N 3.33Å; S362-S364 PolarHBondContact O-N 3.44Å; S362-S364 PolarHBondContact OG-OG 3.47Å; S362-S364 VanDerWaalsContact OG-OG 3.04Å; S364-H368 WeakPolarHBondContact O-CB 3.28Å; S364-H368 PolarHBondContact O-N 3.09Å
365	Y	98.8	Very high	97.2	Very high	16 Å²	16	29.8 Å²	29.8	6%	0.063	16%	0.163	C	C	.	.	H	α-helix	trans	-71.7	-41.6	176.1	-174.6	-118.8	0	0	0	111.5	K290 T291 V293 I361 S362 K363 E367 H368 I369 G395	K290-Y365 VanDerWaalsContact O-CB 3.28Å; K290-Y365 WeakPolarHBondContact O-CB 3.47Å; T291-Y365 VanDerWaalsContact C-CE1 3.5Å; T291-Y365 HydrophobicContact CG2-CD2 4.31Å; T291-Y365 HydrophobicContact CG2-CE2 4.04Å; T291-Y365 WeakPolarHBondContact O-CE1 3.33Å; T291-Y365 VanDerWaalsContact O-CZ 3.3Å; T291-Y365 PolarHBondContact O-OH 2.9Å; V293-Y365 HydrophobicContact CG2-CE1 4.25Å; I361-Y365 HydrophobicContact CD1-CD1 3.89Å; I361-Y365 HydrophobicContact CD1-CE1 4.44Å; I361-Y365 HydrophobicContact CG1-CD1 3.98Å; S362-Y365 PolarHBondContact O-N 2.87Å; S362-Y365 VanDerWaalsContact O-N 3.11Å; K363-Y365 VanDerWaalsContact C-N 3.29Å; K363-Y365 PolarHBondContact O-N 3.04Å; Y365-E367 VanDerWaalsContact C-N 3.29Å; Y365-E367 PolarHBondContact O-N 3.14Å; Y365-H368 PolarHBondContact O-N 2.84Å; Y365-I369 HydrophobicContact CD1-CD1 4.26Å; Y365-I369 HydrophobicContact CD1-CG2 4.45Å; Y365-I369 HydrophobicContact CD2-CG2 3.88Å; Y365-I369 HydrophobicContact CE1-CD1 3.91Å; Y365-I369 HydrophobicContact CE1-CG2 3.97Å; Y365-I369 HydrophobicContact CE2-CG2 3.32Å; Y365-I369 HydrophobicContact CG-CG2 4.4Å; Y365-I369 VanDerWaalsContact O-CG1 3.32Å; Y365-I369 WeakPolarHBondContact O-CG1 3.32Å; Y365-I369 PolarHBondContact O-N 2.86Å; Y365-G395 WeakPolarHBondContact OH-CA 3.22Å; Y365-G395 PolarHBondContact OH-N 3.22Å
366	F	98.7	Very high	97.2	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.009	15%	0.152	C	C	.	.	H	α-helix	trans	-55.6	-43.6	174.3	-179	-111.6	0	0	0	112	L254 A257 L265 F267 I361 S362 K363 T371 Y372 M386	L254-F366 HydrophobicContact CD2-CE1 4.24Å; L254-F366 HydrophobicContact CD2-CZ 4.11Å; A257-F366 HydrophobicContact CB-CD1 4.45Å; A257-F366 HydrophobicContact CB-CE1 3.91Å; L265-F366 HydrophobicContact CD1-CB 4.33Å; L265-F366 HydrophobicContact CD1-CD1 3.66Å; L265-F366 HydrophobicContact CD1-CE1 4.22Å; L265-F366 HydrophobicContact CD1-CG 4.12Å; F267-F366 HydrophobicContact CZ-CZ 4.48Å; I361-F366 HydrophobicContact CD1-CB 3.89Å; I361-F366 HydrophobicContact CD1-CD2 4.07Å; I361-F366 HydrophobicContact CD1-CG 4.48Å; I361-F366 HydrophobicContact CG1-CB 4.24Å; I361-F366 HydrophobicContact CG2-CB 3.94Å; I361-F366 HydrophobicContact CG2-CD2 4.18Å; I361-F366 HydrophobicContact CG2-CG 4.26Å; S362-F366 WeakPolarHBondContact O-CB 3.48Å; S362-F366 PolarHBondContact O-N 2.95Å; K363-F366 WeakPolarHBondContact O-CB 3.5Å; K363-F366 PolarHBondContact O-N 2.65Å; F366-T371 HydrophobicContact CD1-CG2 3.85Å; F366-T371 HydrophobicContact CE1-CG2 3.69Å; F366-T371 HydrophobicContact CZ-CG2 4.3Å; F366-T371 VanDerWaalsContact O-CA 3.28Å; F366-T371 WeakPolarHBondContact O-CA 3.34Å; F366-T371 PolarHBondContact O-N 2.95Å; F366-Y372 HydrophobicContact CE2-CD2 4.14Å; F366-Y372 HydrophobicContact CE2-CE2 4.14Å; F366-Y372 AromaticContact CZ-CD2 3.87Å; F366-Y372 HydrophobicContact CZ-CD2 3.87Å; F366-Y372 HydrophobicContact CZ-CE2 4.13Å; F366-M386 HydrophobicContact CD2-CE 4.18Å; F366-M386 HydrophobicContact CE2-CE 4.35Å
367	E	98.6	Very high	97.3	Very high	105 Å²	105	30.7 Å²	30.7	49%	0.491	16%	0.162	S	C	.	.	H	α-helix	trans	-67.6	-46.1	174.5	-69.9	168.5	175.6	0	0	111.9	K363 Y365 I369 G370 T371	K363-E367 WeakPolarHBondContact CE-OE1 3.47Å; K363-E367 WeakPolarHBondContact O-CG 3.36Å; K363-E367 PolarHBondContact O-N 3.04Å; Y365-E367 VanDerWaalsContact C-N 3.29Å; Y365-E367 PolarHBondContact O-N 3.14Å; E367-I369 VanDerWaalsContact C-N 3.34Å; E367-I369 PolarHBondContact O-N 3.44Å; E367-G370 PolarHBondContact O-N 3.33Å; E367-T371 HydrophobicContact CG-CG2 4.41Å
368	H	98.4	Very high	97.2	Very high	117 Å²	117	30.9 Å²	30.9	54%	0.542	16%	0.16	S	C	.	.	H	α-helix	trans	-58.5	-41.8	179.8	176.9	66.1	0	0	0	113	S364 Y365 G370	S364-H368 WeakPolarHBondContact O-CB 3.28Å; S364-H368 PolarHBondContact O-N 3.09Å; Y365-H368 PolarHBondContact O-N 2.84Å; H368-G370 PolarHBondContact O-N 3.33Å
369	I	98	Very high	96.9	Very high	2 Å²	2	37 Å²	37	1%	0.01	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	13	177.4	70.6	-179.6	0	0	0	113.3	I361 Y365 E367 M386 R389 V390	I361-I369 HydrophobicContact CD1-CD1 3.94Å; Y365-I369 HydrophobicContact CD1-CD1 4.26Å; Y365-I369 HydrophobicContact CD1-CG2 4.45Å; Y365-I369 HydrophobicContact CD2-CG2 3.88Å; Y365-I369 HydrophobicContact CE1-CD1 3.91Å; Y365-I369 HydrophobicContact CE1-CG2 3.97Å; Y365-I369 HydrophobicContact CE2-CG2 3.32Å; Y365-I369 HydrophobicContact CG-CG2 4.4Å; Y365-I369 VanDerWaalsContact O-CG1 3.32Å; Y365-I369 WeakPolarHBondContact O-CG1 3.32Å; Y365-I369 PolarHBondContact O-N 2.86Å; E367-I369 VanDerWaalsContact C-N 3.34Å; E367-I369 PolarHBondContact O-N 3.44Å; I369-M386 HydrophobicContact CD1-CE 4.38Å; I369-R389 WeakPolarHBondContact O-CD 3.48Å; I369-R389 PolarHBondContact O-NE 2.87Å; I369-V390 HydrophobicContact CD1-CG2 3.77Å
370	G	97.8	Very high	96.5	Very high	15 Å²	15	37 Å²	37	16%	0.155	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	22.8	172.6	0	0	0	0	0	115.9	E367 H368 Y372 R465	E367-G370 PolarHBondContact O-N 3.33Å; H368-G370 PolarHBondContact O-N 3.33Å; G370-Y372 PolarHBondContact O-N 3.38Å; G370-R465 PolarHBondContact O-NH1 3.14Å
371	T	98	Very high	96.3	Very high	36 Å²	36	37.3 Å²	37.3	22%	0.221	19%	0.187	C	C	.	.			trans	52.2	-128.8	175.8	70.3	0	0	0	0	112.8	L254 F366 E367 R389	L254-T371 HydrophobicContact CD2-CG2 4.4Å; L254-T371 WeakPolarHBondContact CD2-OG1 3.38Å; F366-T371 HydrophobicContact CD1-CG2 3.85Å; F366-T371 HydrophobicContact CE1-CG2 3.69Å; F366-T371 HydrophobicContact CZ-CG2 4.3Å; F366-T371 VanDerWaalsContact O-CA 3.28Å; F366-T371 WeakPolarHBondContact O-CA 3.34Å; F366-T371 PolarHBondContact O-N 2.95Å; E367-T371 HydrophobicContact CG-CG2 4.41Å; T371-R389 PolarHBondContact O-NH1 3.46Å; T371-R389 PolarHBondContact O-NH2 3.29Å
372	Y	97.9	Very high	96.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-106.3	161.8	168.3	-78.8	-69.2	0	0	0	110.9	I250 R253 L254 F359 F366 G370 N374 E382 M386 R465	I250-Y372 VanDerWaalsContact CG2-CB 3.49Å; I250-Y372 HydrophobicContact CG2-CD2 4.43Å; I250-Y372 HydrophobicContact CG2-CG 4.01Å; R253-Y372 HydrophobicContact CB-CE2 4.23Å; R253-Y372 PolarHBondContact NH1-OH 2.63Å; L254-Y372 HydrophobicContact CD2-CD2 4.32Å; L254-Y372 HydrophobicContact CG-CD2 4.5Å; F359-Y372 WeakPolarHBondContact CE1-OH 3.45Å; F359-Y372 WeakPolarHBondContact CZ-OH 3.48Å; F366-Y372 HydrophobicContact CE2-CD2 4.14Å; F366-Y372 HydrophobicContact CE2-CE2 4.14Å; F366-Y372 AromaticContact CZ-CD2 3.87Å; F366-Y372 HydrophobicContact CZ-CD2 3.87Å; F366-Y372 HydrophobicContact CZ-CE2 4.13Å; G370-Y372 PolarHBondContact O-N 3.38Å; Y372-N374 PolarHBondContact O-N 2.9Å; Y372-E382 HydrophobicContact CD1-CB 4.12Å; Y372-E382 HydrophobicContact CD1-CG 4.42Å; Y372-E382 HydrophobicContact CE1-CB 4.08Å; Y372-E382 HydrophobicContact CE1-CG 3.95Å; Y372-M386 HydrophobicContact CD1-SD 4.47Å; Y372-M386 HydrophobicContact CE1-CB 4.23Å; Y372-M386 HydrophobicContact CE1-SD 3.7Å; Y372-R465 VanDerWaalsContact O-CZ 3.24Å; Y372-R465 PolarHBondContact O-NH1 2.56Å; Y372-R465 PolarHBondContact O-NH2 2.96Å
373	D	97.6	Very high	96.1	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.016	19%	0.189	C	C	.	.			trans	-63.3	94.2	162.3	-170.2	11.8	0	0	0	111.9	Q375 M376 R430 R465	D373-Q375 PolarHBondContact O-N 2.76Å; D373-Q375 PolarHBondContact OD1-N 3.37Å; D373-M376 HydrophobicContact CB-CE 4.13Å; D373-M376 HydrophobicContact CB-CG 3.87Å; D373-M376 HydrophobicContact CB-SD 4.17Å; D373-M376 VanDerWaalsContact O-CB 3.31Å; D373-M376 WeakPolarHBondContact O-CB 3.33Å; D373-M376 PolarHBondContact O-N 2.86Å; D373-R430 IonicContact OD1-CZ 3.27Å; D373-R430 IonicContact OD1-NE 2.72Å; D373-R430 IonicContact OD1-NH2 2.97Å; D373-R430 PolarHBondContact OD1-NH2 3.09Å; D373-R430 VanDerWaalsContact OD1-NH2 3.1Å; D373-R430 IonicContact OD2-CZ 3.83Å; D373-R430 VanDerWaalsContact OD2-CZ 3.27Å; D373-R430 IonicContact OD2-NE 2.82Å; D373-R430 PolarHBondContact OD2-NE 2.82Å; D373-R430 IonicContact OD2-NH2 3.93Å; D373-R430 PolarHBondContact OD2-NH2 2.88Å; D373-R465 VanDerWaalsContact CA-NH2 3.34Å; D373-R465 IonicContact OD1-CZ 3.23Å; D373-R465 IonicContact OD1-NE 3.29Å; D373-R465 PolarHBondContact OD1-NE 3.26Å; D373-R465 IonicContact OD1-NH2 3.52Å
374	N	93.9	Very high	96.1	Very high	72 Å²	72	35.8 Å²	35.8	39%	0.385	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-9.8	-179.6	65.7	-22.4	0	0	0	114.1	L254 Y372 R465	L254-N374 HydrophobicContact CD1-CB 3.88Å; Y372-N374 PolarHBondContact O-N 2.9Å; N374-R465 PolarHBondContact OD1-NH2 3.24Å
375	Q	95.6	Very high	96.1	Very high	93 Å²	93	32.7 Å²	32.7	44%	0.435	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-3	172.3	-61.4	-62	-50.1	0	0	112.8	D373 R426 R430	D373-Q375 PolarHBondContact O-N 2.76Å; D373-Q375 PolarHBondContact OD1-N 3.37Å; Q375-R426 PolarHBondContact O-NH1 2.95Å; Q375-R426 PolarHBondContact O-NH2 2.79Å; Q375-R430 VanDerWaalsContact CB-CZ 3.43Å; Q375-R430 VanDerWaalsContact CB-NH2 3.29Å
376	M	95.3	Very high	96.1	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.015	16%	0.156	C	C	.	.			trans	-73.4	138.1	167	-71.3	-174.6	177.6	0	0	110	I250 D373 E382 E385 N427 L431	I250-M376 HydrophobicContact CD1-CB 3.65Å; I250-M376 HydrophobicContact CG1-CB 4.32Å; D373-M376 HydrophobicContact CB-CE 4.13Å; D373-M376 HydrophobicContact CB-CG 3.87Å; D373-M376 HydrophobicContact CB-SD 4.17Å; D373-M376 VanDerWaalsContact O-CB 3.31Å; D373-M376 WeakPolarHBondContact O-CB 3.33Å; D373-M376 PolarHBondContact O-N 2.86Å; M376-E382 HydrophobicContact SD-CB 3.95Å; M376-E385 HydrophobicContact CE-CB 3.77Å; M376-E385 HydrophobicContact CE-CG 3.68Å; M376-N427 WeakPolarHBondContact CA-OD1 3.48Å; M376-N427 HydrophobicContact CB-CB 4.4Å; M376-N427 HydrophobicContact CE-CB 4.48Å; M376-N427 HydrophobicContact CG-CB 4Å; M376-N427 HydrophobicContact SD-CB 4.16Å; M376-L431 HydrophobicContact CE-CB 4.03Å
377	E	91.3	Very high	96.1	Very high	47 Å²	47	31.8 Å²	31.8	22%	0.22	16%	0.155	C	C	.	.			trans	-111.8	147	-172.4	-59	179.5	-155.7	0	0	111.4	W379 K419 V423 R426 N427	E377-W379 PolarHBondContact O-N 3.16Å; E377-K419 VanDerWaalsContact CD-NZ 3.29Å; E377-K419 IonicContact OE1-NZ 3.75Å; E377-K419 PolarHBondContact OE1-NZ 3.03Å; E377-K419 VanDerWaalsContact OE1-NZ 3.16Å; E377-K419 WeakPolarHBondContact OE2-CD 3.39Å; E377-K419 WeakPolarHBondContact OE2-CE 3.03Å; E377-K419 IonicContact OE2-NZ 2.96Å; E377-K419 PolarHBondContact OE2-NZ 2.98Å; E377-V423 HydrophobicContact CB-CG1 3.68Å; E377-V423 WeakPolarHBondContact O-CG1 3.44Å; E377-R426 IonicContact OE1-CZ 3.1Å; E377-R426 IonicContact OE1-NH1 3.89Å; E377-R426 IonicContact OE1-NH2 2.65Å; E377-N427 PolarHBondContact N-OD1 2.56Å; E377-N427 VanDerWaalsContact N-OD1 3.08Å; E377-N427 PolarHBondContact O-ND2 2.8Å
378	I	90.4	Very high	96.1	Very high	17 Å²	17	26.8 Å²	26.8	9%	0.087	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	59.7	-82.7	172.9	-52.1	-49	0	0	0	114	R246 G248 L249 F417 V423	R246-I378 VanDerWaalsContact NH1-CD1 3.33Å; G248-I378 CarbonylContact C-O 3.52Å; G248-I378 VanDerWaalsContact CA-O 3.22Å; G248-I378 WeakPolarHBondContact CA-O 3.31Å; L249-I378 PolarHBondContact N-O 2.96Å; I378-F417 HydrophobicContact CG2-CD1 3.96Å; I378-F417 HydrophobicContact CG2-CE1 3.97Å; I378-V423 HydrophobicContact CB-CG1 4.2Å; I378-V423 HydrophobicContact CG1-CG1 4.34Å
379	W	91.9	Very high	96.1	Very high	131 Å²	131	21.2 Å²	21.2	50%	0.496	11%	0.106	S	C	.	.	S	Bend	trans	-168	150	-173.7	179.4	83.2	0	0	0	110.4	E377 I424	E377-W379 PolarHBondContact O-N 3.16Å; W379-I424 HydrophobicContact CE3-CD1 4.29Å; W379-I424 HydrophobicContact CZ3-CD1 4.25Å
380	G	90.8	Very high	96.2	Very high	3 Å²	3	21.1 Å²	21.1	3%	0.031	11%	0.105	C	C	.	.	S	Bend	trans	107.4	133.6	167.7	0	0	0	0	0	112.3	E382 N427	G380-E382 VanDerWaalsContact C-N 3.28Å; G380-E382 VanDerWaalsContact CA-OE2 3.3Å; G380-E382 WeakPolarHBondContact CA-OE2 3.24Å; G380-E382 PolarHBondContact N-OE2 3.29Å; G380-E382 PolarHBondContact O-N 2.77Å; G380-N427 WeakPolarHBondContact O-CB 3.32Å; G380-N427 PolarHBondContact O-ND2 2.87Å
381	G	93.9	Very high	96.2	Very high	6 Å²	6	21.3 Å²	21.3	6%	0.062	10%	0.101	C	C	.	.	S	Bend	trans	87.3	-20.7	178.3	0	0	0	0	0	114.3	N383 V384 E385 L431	G381-N383 VanDerWaalsContact C-N 3.29Å; G381-N383 PolarHBondContact O-N 3.34Å; G381-V384 PolarHBondContact O-N 3.25Å; G381-E385 WeakPolarHBondContact O-CB 3.47Å; G381-E385 PolarHBondContact O-N 3.43Å; G381-L431 VanDerWaalsContact O-CD2 3.31Å; G381-L431 WeakPolarHBondContact O-CD2 3.37Å
382	E	97	Very high	96.3	Very high	3 Å²	3	19.6 Å²	19.6	1%	0.014	9%	0.091	C	C	.	.	H	α-helix	trans	-65.7	-32.5	-176.2	80.7	-65.7	162.4	0	0	112.8	I250 Y372 M376 G380 M386	I250-E382 HydrophobicContact CD1-CB 4.16Å; I250-E382 HydrophobicContact CD1-CG 4.45Å; I250-E382 HydrophobicContact CG1-CB 3.76Å; I250-E382 HydrophobicContact CG1-CG 3.9Å; Y372-E382 HydrophobicContact CD1-CB 4.12Å; Y372-E382 HydrophobicContact CD1-CG 4.42Å; Y372-E382 HydrophobicContact CE1-CB 4.08Å; Y372-E382 HydrophobicContact CE1-CG 3.95Å; M376-E382 HydrophobicContact SD-CB 3.95Å; G380-E382 VanDerWaalsContact C-N 3.28Å; G380-E382 VanDerWaalsContact CA-OE2 3.3Å; G380-E382 WeakPolarHBondContact CA-OE2 3.24Å; G380-E382 PolarHBondContact N-OE2 3.29Å; G380-E382 PolarHBondContact O-N 2.77Å; E382-M386 VanDerWaalsContact O-CB 3.25Å; E382-M386 WeakPolarHBondContact O-CB 3.5Å; E382-M386 PolarHBondContact O-N 3.25Å
383	N	97.4	Very high	96.3	Very high	12 Å²	12	20.7 Å²	20.7	6%	0.064	10%	0.098	C	C	.	.	H	α-helix	trans	-69.9	-42.2	176.7	67.9	-48.3	0	0	0	111.4	F354 G381 S387	F354-N383 HydrophobicContact CE1-CB 4.35Å; F354-N383 VanDerWaalsContact CE1-O 3.25Å; F354-N383 WeakPolarHBondContact CE1-O 3.03Å; F354-N383 PolarHBondContact O-ND2 3.06Å; F354-N383 VanDerWaalsContact O-ND2 3.12Å; G381-N383 VanDerWaalsContact C-N 3.29Å; G381-N383 PolarHBondContact O-N 3.34Å; N383-S387 WeakPolarHBondContact O-CB 3.44Å; N383-S387 PolarHBondContact O-N 3.12Å; N383-S387 PolarHBondContact O-OG 3.37Å
384	V	98.3	Very high	96.3	Very high	1 Å²	1	23 Å²	23	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-69.3	-41.7	175.9	-179.7	0	0	0	0	110.7	G381 S387 F388 L431	G381-V384 PolarHBondContact O-N 3.25Å; V384-S387 WeakPolarHBondContact O-CB 3.44Å; V384-S387 PolarHBondContact O-N 2.78Å; V384-F388 HydrophobicContact CG1-CD1 4.46Å; V384-F388 HydrophobicContact CG1-CD2 4.22Å; V384-F388 HydrophobicContact CG1-CE1 3.9Å; V384-F388 HydrophobicContact CG1-CE2 3.64Å; V384-F388 HydrophobicContact CG1-CZ 3.46Å; V384-F388 VanDerWaalsContact CG1-CZ 3.46Å; V384-F388 WeakPolarHBondContact O-CG 3.26Å; V384-F388 PolarHBondContact O-N 3.09Å; V384-L431 HydrophobicContact CB-CD2 4.29Å; V384-L431 HydrophobicContact CG1-CD1 4.43Å; V384-L431 HydrophobicContact CG1-CD2 4.46Å
385	E	98.7	Very high	96.5	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.009	11%	0.106	C	C	.	.	H	α-helix	trans	-58.3	-52.6	175.5	-172.3	-84.7	154.5	0	0	111.8	M376 G381 S387 F388 R389 L431 W435	M376-E385 HydrophobicContact CE-CB 3.77Å; M376-E385 HydrophobicContact CE-CG 3.68Å; G381-E385 WeakPolarHBondContact O-CB 3.47Å; G381-E385 PolarHBondContact O-N 3.43Å; E385-S387 PolarHBondContact O-N 2.69Å; E385-F388 PolarHBondContact O-N 2.99Å; E385-R389 WeakPolarHBondContact O-CB 3.45Å; E385-R389 PolarHBondContact O-N 2.56Å; E385-R389 IonicContact OE1-CZ 2.74Å; E385-R389 IonicContact OE1-NH1 3.94Å; E385-R389 PolarHBondContact OE1-NH1 3.21Å; E385-R389 IonicContact OE2-CZ 3.18Å; E385-R389 IonicContact OE2-NH1 3.49Å; E385-R389 PolarHBondContact OE2-NH1 3.13Å; E385-R389 IonicContact OE2-NH2 3.92Å; E385-L431 HydrophobicContact CB-CB 3.6Å; E385-L431 HydrophobicContact CB-CD2 4.2Å; E385-L431 HydrophobicContact CB-CG 4.45Å; E385-L431 HydrophobicContact CG-CB 3.63Å; E385-W435 PolarHBondContact OE1-NE1 3.33Å
386	M	98.7	Very high	96.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.9	-33.6	177.8	-179.6	165.5	-176.8	0	0	111.4	V293 F354 F359 I361 F366 I369 Y372 E382 R389 V390	V293-M386 HydrophobicContact CG1-CE 4.25Å; V293-M386 HydrophobicContact CG2-CE 4.36Å; F354-M386 HydrophobicContact CE1-CB 4.11Å; F354-M386 HydrophobicContact CE1-CG 4.15Å; F354-M386 HydrophobicContact CZ-CB 4.3Å; F354-M386 HydrophobicContact CZ-CG 4.02Å; F354-M386 HydrophobicContact CZ-SD 3.83Å; F359-M386 HydrophobicContact CE2-CE 3.83Å; F359-M386 HydrophobicContact CE2-SD 4.42Å; F359-M386 HydrophobicContact CZ-CE 4.18Å; F359-M386 HydrophobicContact CZ-SD 4.21Å; I361-M386 HydrophobicContact CD1-CE 3.72Å; F366-M386 HydrophobicContact CD2-CE 4.18Å; F366-M386 HydrophobicContact CE2-CE 4.35Å; I369-M386 HydrophobicContact CD1-CE 4.38Å; Y372-M386 HydrophobicContact CD1-SD 4.47Å; Y372-M386 HydrophobicContact CE1-CB 4.23Å; Y372-M386 HydrophobicContact CE1-SD 3.7Å; E382-M386 VanDerWaalsContact O-CB 3.25Å; E382-M386 WeakPolarHBondContact O-CB 3.5Å; E382-M386 PolarHBondContact O-N 3.25Å; M386-R389 PolarHBondContact O-N 3.23Å; M386-V390 HydrophobicContact CE-CG2 4.4Å; M386-V390 HydrophobicContact CG-CG2 4.06Å; M386-V390 WeakPolarHBondContact O-CB 2.94Å; M386-V390 WeakPolarHBondContact O-CG2 3.33Å; M386-V390 PolarHBondContact O-N 3.45Å
387	S	98.8	Very high	96.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.1	-51	175.6	-58.2	0	0	0	0	111.9	T353 F354 N383 V384 E385 R389 W391 L397	T353-S387 VanDerWaalsContact CA-OG 3.28Å; T353-S387 WeakPolarHBondContact CA-OG 3.31Å; T353-S387 WeakPolarHBondContact CB-OG 3.45Å; F354-S387 VanDerWaalsContact CD1-OG 3.29Å; F354-S387 WeakPolarHBondContact CD1-OG 3.42Å; F354-S387 PolarHBondContact N-OG 3.07Å; N383-S387 WeakPolarHBondContact O-CB 3.44Å; N383-S387 PolarHBondContact O-N 3.12Å; N383-S387 PolarHBondContact O-OG 3.37Å; V384-S387 WeakPolarHBondContact O-CB 3.44Å; V384-S387 PolarHBondContact O-N 2.78Å; E385-S387 PolarHBondContact O-N 2.69Å; S387-R389 VanDerWaalsContact C-N 3.34Å; S387-R389 PolarHBondContact O-N 2.87Å; S387-W391 PolarHBondContact O-N 3.42Å; S387-L397 VanDerWaalsContact CA-CD1 3.41Å; S387-L397 VanDerWaalsContact CB-CD1 3.46Å
388	F	98.8	Very high	97.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.5	-42.3	179.7	-68.4	-8	0	0	0	111.3	F323 L327 T353 V384 E385 Q392 L431 W435 M436 F477 Y480	F323-F388 AromaticContact CD1-CE1 3.87Å; F323-F388 HydrophobicContact CD1-CE1 3.87Å; F323-F388 HydrophobicContact CD1-CZ 4.04Å; F323-F388 HydrophobicContact CD2-CZ 4.01Å; F323-F388 AromaticContact CE1-CE1 3.68Å; F323-F388 HydrophobicContact CE1-CE1 3.68Å; F323-F388 AromaticContact CE1-CZ 3.88Å; F323-F388 HydrophobicContact CE1-CZ 3.88Å; F323-F388 AromaticContact CE2-CZ 3.87Å; F323-F388 HydrophobicContact CE2-CZ 3.87Å; F323-F388 HydrophobicContact CG-CE1 4.38Å; F323-F388 HydrophobicContact CG-CZ 4.12Å; F323-F388 HydrophobicContact CZ-CE1 4.04Å; F323-F388 AromaticContact CZ-CZ 3.8Å; F323-F388 HydrophobicContact CZ-CZ 3.8Å; L327-F388 HydrophobicContact CD2-CE2 4.42Å; T353-F388 HydrophobicContact CG2-CE1 4.4Å; V384-F388 HydrophobicContact CG1-CD1 4.46Å; V384-F388 HydrophobicContact CG1-CD2 4.22Å; V384-F388 HydrophobicContact CG1-CE1 3.9Å; V384-F388 HydrophobicContact CG1-CE2 3.64Å; V384-F388 HydrophobicContact CG1-CZ 3.46Å; V384-F388 VanDerWaalsContact CG1-CZ 3.46Å; V384-F388 WeakPolarHBondContact O-CG 3.26Å; V384-F388 PolarHBondContact O-N 3.09Å; E385-F388 PolarHBondContact O-N 2.99Å; F388-Q392 WeakPolarHBondContact O-CB 3.49Å; F388-Q392 VanDerWaalsContact O-CG 3.26Å; F388-Q392 WeakPolarHBondContact O-CG 3.37Å; F388-Q392 PolarHBondContact O-N 2.88Å; F388-Q392 PolarHBondContact O-NE2 2.93Å; F388-L431 HydrophobicContact CD2-CD1 4.05Å; F388-L431 HydrophobicContact CE2-CD1 3.88Å; F388-W435 HydrophobicContact CB-CB 4Å; F388-W435 HydrophobicContact CB-CG 4.26Å; F388-W435 HydrophobicContact CD2-CB 4.1Å; F388-M436 HydrophobicContact CD2-CG 4.31Å; F388-M436 HydrophobicContact CE2-CG 3.92Å; F388-M436 HydrophobicContact CE2-SD 4.3Å; F388-F477 AromaticContact CD1-CE2 3.99Å; F388-F477 HydrophobicContact CD1-CE2 3.99Å; F388-F477 HydrophobicContact CD2-CD2 4.48Å; F388-F477 AromaticContact CD2-CE2 3.76Å; F388-F477 HydrophobicContact CD2-CE2 3.76Å; F388-F477 AromaticContact CE1-CE2 3.84Å; F388-F477 HydrophobicContact CE1-CE2 3.84Å; F388-F477 HydrophobicContact CE1-CZ 4.23Å; F388-F477 AromaticContact CE2-CE2 3.59Å; F388-F477 HydrophobicContact CE2-CE2 3.59Å; F388-F477 AromaticContact CE2-CZ 3.98Å; F388-F477 HydrophobicContact CE2-CZ 3.98Å; F388-F477 AromaticContact CG-CE2 3.96Å; F388-F477 HydrophobicContact CG-CE2 3.96Å; F388-F477 AromaticContact CZ-CE2 3.64Å; F388-F477 HydrophobicContact CZ-CE2 3.64Å; F388-F477 AromaticContact CZ-CZ 3.79Å; F388-F477 HydrophobicContact CZ-CZ 3.79Å; F388-Y480 AromaticContact CD1-CE1 3.98Å; F388-Y480 HydrophobicContact CD1-CE1 3.98Å; F388-Y480 HydrophobicContact CD1-CE2 4.11Å; F388-Y480 AromaticContact CD1-CZ 3.71Å; F388-Y480 AromaticContact CE1-CE1 3.79Å; F388-Y480 HydrophobicContact CE1-CE1 3.79Å; F388-Y480 AromaticContact CE1-CZ 3.77Å
389	R	98.7	Very high	97.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.5	-52.2	177.5	-179.4	171.5	72.3	-129.4	-11.3	112	I369 T371 E385 M386 S387 W391 Q392 C393 W435	I369-R389 WeakPolarHBondContact O-CD 3.48Å; I369-R389 PolarHBondContact O-NE 2.87Å; T371-R389 PolarHBondContact O-NH1 3.46Å; T371-R389 PolarHBondContact O-NH2 3.29Å; E385-R389 WeakPolarHBondContact O-CB 3.45Å; E385-R389 PolarHBondContact O-N 2.56Å; E385-R389 IonicContact OE1-CZ 2.74Å; E385-R389 IonicContact OE1-NH1 3.94Å; E385-R389 PolarHBondContact OE1-NH1 3.21Å; E385-R389 IonicContact OE2-CZ 3.18Å; E385-R389 IonicContact OE2-NH1 3.49Å; E385-R389 PolarHBondContact OE2-NH1 3.13Å; E385-R389 IonicContact OE2-NH2 3.92Å; M386-R389 PolarHBondContact O-N 3.23Å; S387-R389 VanDerWaalsContact C-N 3.34Å; S387-R389 PolarHBondContact O-N 2.87Å; R389-W391 VanDerWaalsContact C-N 3.33Å; R389-W391 PolarHBondContact O-N 2.78Å; R389-Q392 PolarHBondContact O-N 2.85Å; R389-C393 WeakPolarHBondContact O-CB 3.29Å; R389-C393 PolarHBondContact O-N 2.94Å; R389-C393 PolarHBondContact O-SG 2.8Å; R389-W435 HydrophobicContact CB-CD2 4.34Å; R389-W435 HydrophobicContact CB-CH2 3.82Å; R389-W435 HydrophobicContact CB-CZ2 3.57Å; R389-W435 HydrophobicContact CB-CZ3 4.25Å; R389-W435 HydrophobicContact CG-CH2 3.46Å; R389-W435 VanDerWaalsContact CG-CH2 3.46Å; R389-W435 HydrophobicContact CG-CZ2 3.45Å; R389-W435 VanDerWaalsContact CG-CZ2 3.45Å; R389-W435 HydrophobicContact CG-CZ3 4.22Å
390	V	98.8	Very high	97.9	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-56.3	-50.2	-177.7	168.5	0	0	0	0	110.4	V293 I369 M386 G394 G395 L397	V293-V390 HydrophobicContact CG2-CG1 3.98Å; V293-V390 HydrophobicContact CG2-CG2 3.77Å; I369-V390 HydrophobicContact CD1-CG2 3.77Å; M386-V390 HydrophobicContact CE-CG2 4.4Å; M386-V390 HydrophobicContact CG-CG2 4.06Å; M386-V390 WeakPolarHBondContact O-CB 2.94Å; M386-V390 WeakPolarHBondContact O-CG2 3.33Å; M386-V390 PolarHBondContact O-N 3.45Å; V390-G394 PolarHBondContact O-N 2.58Å; V390-G395 CarbonylContact O-C 3.52Å; V390-G395 WeakPolarHBondContact O-CA 3.26Å; V390-G395 PolarHBondContact O-N 3.03Å; V390-L397 HydrophobicContact CB-CD2 3.9Å; V390-L397 HydrophobicContact CB-CG 4.27Å; V390-L397 HydrophobicContact CG1-CD2 3.75Å; V390-L397 HydrophobicContact CG1-CG 4.06Å; V390-L397 HydrophobicContact CG2-CD2 4.09Å
391	W	98.8	Very high	98.2	Very high	18 Å²	18	9.1 Å²	9.1	7%	0.068	6%	0.062	C	C	.	.	H	α-helix	trans	-67	-47.9	-179.8	-81.8	116.7	0	0	0	113.1	K350 S351 P352 S387 R389 C393 G394 Q396 L397 W479 Y480 V484	K350-W391 HydrophobicContact CB-CH2 4.42Å; K350-W391 HydrophobicContact CB-CZ2 4.5Å; K350-W391 HydrophobicContact CD-CH2 4.17Å; K350-W391 HydrophobicContact CG-CH2 4.38Å; S351-W391 PolarHBondContact O-NE1 2.72Å; P352-W391 PolarHBondContact O-NE1 3.44Å; S387-W391 PolarHBondContact O-N 3.42Å; R389-W391 VanDerWaalsContact C-N 3.33Å; R389-W391 PolarHBondContact O-N 2.78Å; W391-C393 VanDerWaalsContact C-N 3.27Å; W391-C393 PolarHBondContact O-N 3.07Å; W391-G394 PolarHBondContact O-N 3.13Å; W391-Q396 HydrophobicContact CH2-CB 3.85Å; W391-Q396 HydrophobicContact CH2-CG 4.16Å; W391-Q396 HydrophobicContact CZ2-CB 4.47Å; W391-Q396 HydrophobicContact CZ3-CB 3.98Å; W391-Q396 HydrophobicContact CZ3-CG 3.88Å; W391-L397 HydrophobicContact CZ2-CB 4.24Å; W391-L397 WeakPolarHBondContact CZ2-O 3.15Å; W391-W479 WeakPolarHBondContact O-CZ3 2.99Å; W391-Y480 HydrophobicContact CB-CD2 3.72Å; W391-Y480 HydrophobicContact CB-CE2 3.9Å; W391-Y480 AromaticContact CD1-CE2 3.77Å; W391-Y480 HydrophobicContact CG-CD2 4.24Å; W391-Y480 AromaticContact CG-CE2 3.99Å; W391-Y480 HydrophobicContact CG-CE2 3.99Å; W391-V484 HydrophobicContact CB-CG2 4.08Å; W391-V484 HydrophobicContact CD2-CB 4.3Å; W391-V484 HydrophobicContact CD2-CG1 3.57Å; W391-V484 HydrophobicContact CD2-CG2 3.71Å; W391-V484 VanDerWaalsContact CE2-CG1 3.49Å; W391-V484 HydrophobicContact CE3-CG1 4.15Å; W391-V484 HydrophobicContact CE3-CG2 3.61Å; W391-V484 HydrophobicContact CG-CB 4.46Å; W391-V484 HydrophobicContact CG-CG1 3.76Å; W391-V484 HydrophobicContact CG-CG2 3.95Å; W391-V484 HydrophobicContact CZ2-CG1 4.05Å; W391-V484 HydrophobicContact CZ3-CG2 4.29Å
392	Q	98.8	Very high	98.4	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-66.7	-31	-177.6	-73.2	178.3	86.5	0	0	111.8	F388 R389 G394 W435 C474 H475 S476 F477	F388-Q392 WeakPolarHBondContact O-CB 3.49Å; F388-Q392 VanDerWaalsContact O-CG 3.26Å; F388-Q392 WeakPolarHBondContact O-CG 3.37Å; F388-Q392 PolarHBondContact O-N 2.88Å; F388-Q392 PolarHBondContact O-NE2 2.93Å; R389-Q392 PolarHBondContact O-N 2.85Å; Q392-G394 VanDerWaalsContact C-N 3.32Å; Q392-G394 PolarHBondContact O-N 2.79Å; Q392-W435 HydrophobicContact CB-CE3 4.48Å; Q392-W435 HydrophobicContact CB-CZ3 4.45Å; Q392-W435 PolarHBondContact NE2-O 2.86Å; Q392-W435 VanDerWaalsContact NE2-O 3.15Å; Q392-W435 PolarHBondContact OE1-O 2.82Å; Q392-C474 HydrophobicContact CB-CB 4.17Å; Q392-C474 CarbonylContact O-C 3.15Å; Q392-C474 VanDerWaalsContact O-CA 3.26Å; Q392-C474 WeakPolarHBondContact O-CA 3.48Å; Q392-H475 PolarHBondContact O-CD2 2.98Å; Q392-H475 PolarHBondContact O-N 3.08Å; Q392-H475 PolarHBondContact OE1-O 3.41Å; Q392-S476 PolarHBondContact OE1-O 2.7Å; Q392-F477 VanDerWaalsContact OE1-N 3.14Å
393	C	98.7	Very high	98.5	Very high	23 Å²	23	8.7 Å²	8.7	16%	0.155	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	20.3	-179	-51.6	0	0	0	0	113.5	R389 W391 L472 C474	R389-C393 WeakPolarHBondContact O-CB 3.29Å; R389-C393 PolarHBondContact O-N 2.94Å; R389-C393 PolarHBondContact O-SG 2.8Å; W391-C393 VanDerWaalsContact C-N 3.27Å; W391-C393 PolarHBondContact O-N 3.07Å; C393-L472 HydrophobicContact CB-CB 4.35Å; C393-L472 HydrophobicContact CB-CD1 4.27Å; C393-C474 HydrophobicContact CB-CB 4.02Å; C393-C474 WeakPolarHBondContact CB-SG 3.41Å; C393-C474 WeakPolarHBondContact SG-CB 3.45Å; C393-C474 CovalentContact SG-SG 2.04Å; C393-C474 PolarHBondContact SG-SG 3.08Å
394	G	97.9	Very high	98.5	Very high	52 Å²	52	8.1 Å²	8.1	54%	0.536	6%	0.055	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.9	1.1	167.3	0	0	0	0	0	116.6	V390 W391 Q392	V390-G394 PolarHBondContact O-N 2.58Å; W391-G394 PolarHBondContact O-N 3.13Å; Q392-G394 VanDerWaalsContact C-N 3.32Å; Q392-G394 PolarHBondContact O-N 2.79Å
395	G	98.4	Very high	98.5	Very high	3 Å²	3	8 Å²	8	3%	0.031	6%	0.055	C	C	.	.			trans	-87	-173.8	172.2	0	0	0	0	0	113.7	T291 Y365 V390	T291-G395 WeakPolarHBondContact O-CA 3.48Å; Y365-G395 WeakPolarHBondContact OH-CA 3.22Å; Y365-G395 PolarHBondContact OH-N 3.22Å; V390-G395 CarbonylContact O-C 3.52Å; V390-G395 WeakPolarHBondContact O-CA 3.26Å; V390-G395 PolarHBondContact O-N 3.03Å
396	Q	98.3	Very high	98.5	Very high	43 Å²	43	8 Å²	8	20%	0.201	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	141.7	177.5	-51.6	-178.9	66.5	0	0	111.1	T291 V292 V293 W391 E398	T291-Q396 PolarHBondContact O-N 2.93Å; V292-Q396 WeakPolarHBondContact CA-O 3.33Å; V292-Q396 HydrophobicContact CG1-CB 4.12Å; V293-Q396 PolarHBondContact N-O 3.2Å; W391-Q396 HydrophobicContact CH2-CB 3.85Å; W391-Q396 HydrophobicContact CH2-CG 4.16Å; W391-Q396 HydrophobicContact CZ2-CB 4.47Å; W391-Q396 HydrophobicContact CZ3-CB 3.98Å; W391-Q396 HydrophobicContact CZ3-CG 3.88Å; Q396-E398 HydrophobicContact CB-CG 4.43Å
397	L	98.7	Very high	98.5	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.01	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	124.6	168.1	-61.9	178.3	0	0	0	109.6	V293 S351 F354 S387 V390 W391	V293-L397 HydrophobicContact CB-CD2 3.73Å; V293-L397 HydrophobicContact CG1-CD2 4.19Å; V293-L397 HydrophobicContact CG2-CD2 4.21Å; V293-L397 WeakPolarHBondContact O-CA 3.26Å; S351-L397 PolarHBondContact N-O 3.49Å; S351-L397 WeakPolarHBondContact O-CB 3.08Å; F354-L397 HydrophobicContact CD1-CD1 4.24Å; F354-L397 HydrophobicContact CD1-CD2 4.48Å; S387-L397 VanDerWaalsContact CA-CD1 3.41Å; S387-L397 VanDerWaalsContact CB-CD1 3.46Å; V390-L397 HydrophobicContact CB-CD2 3.9Å; V390-L397 HydrophobicContact CB-CG 4.27Å; V390-L397 HydrophobicContact CG1-CD2 3.75Å; V390-L397 HydrophobicContact CG1-CG 4.06Å; V390-L397 HydrophobicContact CG2-CD2 4.09Å; W391-L397 HydrophobicContact CZ2-CB 4.24Å; W391-L397 WeakPolarHBondContact CZ2-O 3.15Å
398	E	98.7	Very high	98.5	Very high	6 Å²	6	9 Å²	9	3%	0.028	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.7	-175.6	-66.3	178.6	179.2	0	0	111.3	R285 V293 V294 S295 P348 I349 Q396 I400	R285-E398 WeakPolarHBondContact CD-OE2 3.35Å; R285-E398 WeakPolarHBondContact CG-OE2 3.27Å; R285-E398 IonicContact CZ-OE1 3.8Å; R285-E398 IonicContact CZ-OE2 3.75Å; R285-E398 IonicContact NE-OE1 3.16Å; R285-E398 IonicContact NE-OE2 3.08Å; R285-E398 PolarHBondContact NE-OE2 3.22Å; R285-E398 IonicContact NH2-OE1 2.8Å; R285-E398 PolarHBondContact NH2-OE1 3.1Å; R285-E398 IonicContact NH2-OE2 2.71Å; V293-E398 PolarHBondContact O-N 3.24Å; V294-E398 CarbonylContact C-O 3.5Å; V294-E398 VanDerWaalsContact CA-O 3.32Å; V294-E398 WeakPolarHBondContact CA-O 3.38Å; V294-E398 HydrophobicContact CG1-CB 4.26Å; S295-E398 PolarHBondContact N-O 3.45Å; P348-E398 HydrophobicContact CB-CB 3.93Å; P348-E398 HydrophobicContact CB-CG 4.04Å; P348-E398 VanDerWaalsContact CB-OE2 3.22Å; P348-E398 WeakPolarHBondContact CB-OE2 3.41Å; I349-E398 CarbonylContact O-C 3.53Å; I349-E398 VanDerWaalsContact O-CA 3.26Å; I349-E398 WeakPolarHBondContact O-CA 3.37Å; Q396-E398 HydrophobicContact CB-CG 4.43Å; E398-I400 HydrophobicContact CB-CD1 4.36Å
399	I	98.7	Very high	98.2	Very high	8 Å²	8	12.3 Å²	12.3	4%	0.041	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	130.6	167	-61.5	166.1	0	0	0	107.3	S295 D297 R320 W331 I349 P401	S295-I399 CarbonylContact O-C 3.56Å; S295-I399 WeakPolarHBondContact O-CA 3.32Å; D297-I399 HydrophobicContact CB-CG2 4.25Å; R320-I399 HydrophobicContact CB-CD1 4.45Å; W331-I399 HydrophobicContact CZ3-CD1 4.11Å; I349-I399 HydrophobicContact CB-CB 4.23Å; I349-I399 PolarHBondContact N-O 2.99Å; I349-I399 PolarHBondContact O-N 3.35Å; I399-P401 WeakPolarHBondContact O-CD 3.46Å
400	I	98.4	Very high	97.7	Very high	6 Å²	6	14.7 Å²	14.7	3%	0.031	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	104.2	-179.3	-51.1	-56	0	0	0	109.4	P281 L282 R285 V294 S295 P348 E398 C402 S403	P281-I400 HydrophobicContact CB-CG2 3.54Å; L282-I400 HydrophobicContact CD2-CB 3.86Å; L282-I400 HydrophobicContact CD2-CG1 3.72Å; R285-I400 HydrophobicContact CB-CD1 4.29Å; R285-I400 HydrophobicContact CG-CD1 4.11Å; V294-I400 HydrophobicContact CB-CD1 4.44Å; V294-I400 HydrophobicContact CB-CG1 3.95Å; V294-I400 HydrophobicContact CG1-CD1 4.12Å; V294-I400 HydrophobicContact CG1-CG1 4.16Å; S295-I400 PolarHBondContact O-N 2.85Å; P348-I400 HydrophobicContact CB-CD1 3.63Å; E398-I400 HydrophobicContact CB-CD1 4.36Å; I400-C402 VanDerWaalsContact C-N 3.28Å; I400-C402 PolarHBondContact O-N 3.45Å; I400-S403 WeakPolarHBondContact O-CB 3.4Å; I400-S403 PolarHBondContact O-N 3.04Å; I400-S403 VanDerWaalsContact O-O 3.09Å
401	P	97.4	Very high	96.6	Very high	6 Å²	6	20.3 Å²	20.3	4%	0.039	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	-31.2	-173.1	-20.4	30.5	0	0	0	114.5	R342 E345 I349 I399 S403	R342-P401 VanDerWaalsContact NH2-CG 3.34Å; E345-P401 WeakPolarHBondContact O-CG 3.4Å; E345-P401 WeakPolarHBondContact OE2-CB 3.22Å; I349-P401 HydrophobicContact CD1-CG 3.78Å; I349-P401 HydrophobicContact CG1-CG 4.09Å; I399-P401 WeakPolarHBondContact O-CD 3.46Å; P401-S403 PolarHBondContact O-N 3.16Å
402	C	98.1	Very high	95.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-17.2	176.1	-62.5	0	0	0	0	113.3	R161 C165 P281 E345 I400	R161-C402 WeakPolarHBondContact CD-O 3.32Å; R161-C402 PolarHBondContact NH1-O 2.91Å; C165-C402 WeakPolarHBondContact CA-SG 3.33Å; C165-C402 HydrophobicContact CB-CB 3.55Å; C165-C402 WeakPolarHBondContact CB-SG 3.38Å; C165-C402 WeakPolarHBondContact SG-CA 3.42Å; C165-C402 WeakPolarHBondContact SG-CB 3.26Å; C165-C402 CovalentContact SG-SG 2.04Å; C165-C402 PolarHBondContact SG-SG 2.95Å; P281-C402 HydrophobicContact CB-CB 4.29Å; P281-C402 HydrophobicContact CG-CB 4Å; E345-C402 PolarHBondContact O-SG 3.46Å; E345-C402 VanDerWaalsContact O-SG 3.36Å; I400-C402 VanDerWaalsContact C-N 3.28Å; I400-C402 PolarHBondContact O-N 3.45Å
403	S	98.6	Very high	94.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	112.3	174	-179.2	0	0	0	0	109.4	W278 L282 P296 D297 I400 P401	W278-S403 WeakPolarHBondContact O-CB 3.37Å; W278-S403 PolarHBondContact O-OG 2.7Å; L282-S403 WeakPolarHBondContact CD1-OG 3.27Å; L282-S403 WeakPolarHBondContact CG-OG 3.5Å; P296-S403 CarbonylContact C-O 3.5Å; P296-S403 WeakPolarHBondContact CA-O 3.37Å; P296-S403 WeakPolarHBondContact CB-O 3.12Å; P296-S403 WeakPolarHBondContact CB-OG 3.31Å; D297-S403 PolarHBondContact N-O 3.38Å; I400-S403 WeakPolarHBondContact O-CB 3.4Å; I400-S403 PolarHBondContact O-N 3.04Å; I400-S403 VanDerWaalsContact O-O 3.09Å; P401-S403 PolarHBondContact O-N 3.16Å
404	V	98.6	Very high	93.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.6	-177.6	-179.9	0	0	0	0	109.9	R161 F275 D297 V299 F308 P311	R161-V404 HydrophobicContact CG-CG2 4.43Å; F275-V404 HydrophobicContact CB-CB 3.85Å; F275-V404 HydrophobicContact CB-CG1 4.11Å; F275-V404 WeakPolarHBondContact CB-O 3.44Å; F275-V404 HydrophobicContact CD1-CB 4.49Å; F275-V404 HydrophobicContact CG-CB 4.4Å; F275-V404 HydrophobicContact CG-CG1 4.5Å; F275-V404 PolarHBondContact N-O 3.3Å; D297-V404 WeakPolarHBondContact O-CA 3.45Å; V299-V404 HydrophobicContact CB-CG1 4.41Å; V299-V404 HydrophobicContact CG1-CG1 3.79Å; V299-V404 HydrophobicContact CG2-CG1 3.72Å; F308-V404 HydrophobicContact CZ-CG1 4.3Å; P311-V404 HydrophobicContact CB-CG2 4.22Å; P311-V404 HydrophobicContact CG-CG2 4.26Å
405	V	98.8	Very high	92.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	127.4	174.7	-175.5	0	0	0	0	109.1	L268 C272 W278 P296 D297 I298 V299 L358	L268-V405 HydrophobicContact CD2-CG1 4.33Å; C272-V405 HydrophobicContact CB-CG1 3.99Å; W278-V405 HydrophobicContact CB-CG2 4.36Å; W278-V405 HydrophobicContact CD2-CG2 4.13Å; W278-V405 HydrophobicContact CE3-CG2 3.63Å; W278-V405 HydrophobicContact CG-CG2 4.46Å; W278-V405 HydrophobicContact CZ3-CG2 4.27Å; P296-V405 HydrophobicContact CB-CB 4.18Å; P296-V405 HydrophobicContact CB-CG2 3.75Å; P296-V405 HydrophobicContact CG-CB 4.08Å; P296-V405 HydrophobicContact CG-CG2 3.86Å; D297-V405 PolarHBondContact O-N 3.39Å; I298-V405 WeakPolarHBondContact CA-O 3.41Å; V299-V405 PolarHBondContact N-O 2.94Å; L358-V405 HydrophobicContact CD2-CB 3.66Å; L358-V405 HydrophobicContact CD2-CG1 3.37Å; L358-V405 HydrophobicContact CD2-CG2 4.48Å
406	G	98.5	Very high	91.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	143.2	174	0	0	0	0	0	111.6	C272 E273 V299 I301 F308	C272-G406 CarbonylContact C-O 3.57Å; C272-G406 WeakPolarHBondContact CA-O 3.25Å; C272-G406 WeakPolarHBondContact CB-O 3.41Å; E273-G406 PolarHBondContact N-O 3.2Å; E273-G406 PolarHBondContact O-N 2.9Å; V299-G406 CarbonylContact O-C 3.6Å; V299-G406 VanDerWaalsContact O-CA 3.28Å; V299-G406 WeakPolarHBondContact O-CA 3.44Å; I301-G406 VanDerWaalsContact CD1-C 3.48Å; F308-G406 VanDerWaalsContact CE2-CA 3.48Å
407	H	98.5	Very high	90.6	Very high	19 Å²	19	36 Å²	36	9%	0.088	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	135.7	176.7	-178.8	-88	0	0	0	110.5	D269 H271 I298 V299 I301 F409	D269-H407 IonicContact OD2-CD2 3.84Å; D269-H407 IonicContact OD2-CE1 3.43Å; D269-H407 IonicContact OD2-NE2 2.74Å; D269-H407 PolarHBondContact OD2-NE2 3.08Å; H271-H407 AromaticContact CD2-CD2 3.9Å; H271-H407 AromaticContact CD2-CE1 3.81Å; H271-H407 AromaticContact CD2-NE2 3.49Å; H271-H407 PolarHBondContact CD2-NE2 3.37Å; H271-H407 AromaticContact NE2-CE1 3.56Å; H271-H407 AromaticContact NE2-NE2 3.19Å; H271-H407 PolarHBondContact NE2-NE2 3.1Å; H271-H407 VanDerWaalsContact NE2-NE2 3.19Å; I298-H407 HydrophobicContact CG2-CB 3.68Å; V299-H407 PolarHBondContact O-N 3.41Å; I301-H407 PolarHBondContact N-O 2.82Å; H407-F409 HydrophobicContact CB-CE2 4.14Å; H407-F409 HydrophobicContact CB-CZ 4.29Å; H407-F409 AromaticContact ND1-CD1 3.64Å; H407-F409 AromaticContact ND1-CE1 3.82Å; H407-F409 AromaticContact ND1-CG 3.79Å; H407-F409 WeakPolarHBondContact O-CD2 3.46Å; H407-F409 PolarHBondContact O-N 2.89Å; H407-F409 VanDerWaalsContact O-N 3.09Å
408	V	98.1	Very high	89.2	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	91.1	173.3	-175.8	0	0	0	0	109.6	F142 H271 I301 L303 F306 R410	F142-V408 HydrophobicContact CB-CG1 4.02Å; F142-V408 HydrophobicContact CD1-CG1 4.21Å; F142-V408 HydrophobicContact CG-CG1 4.2Å; H271-V408 HydrophobicContact CB-CB 4.25Å; H271-V408 HydrophobicContact CB-CG2 4.23Å; H271-V408 PolarHBondContact O-N 3.31Å; I301-V408 HydrophobicContact CB-CG2 3.89Å; I301-V408 HydrophobicContact CD1-CG2 4.3Å; I301-V408 HydrophobicContact CG2-CG2 3.85Å; L303-V408 HydrophobicContact CB-CG1 4.07Å; F306-V408 HydrophobicContact CE1-CG2 4.05Å; F306-V408 HydrophobicContact CZ-CG2 4.49Å; V408-R410 PolarHBondContact O-N 3.22Å
409	F	92.3	Very high	87.9	Confident	71 Å²	71	46.3 Å²	46.3	31%	0.311	24%	0.242	S	C	.	.			trans	-70	120.1	176.9	-70.1	-78.7	0	0	0	111.1	I298 T300 L303 H407	I298-F409 HydrophobicContact CG2-CE2 4.02Å; I298-F409 HydrophobicContact CG2-CZ 3.62Å; T300-F409 HydrophobicContact CG2-CD2 4.07Å; L303-F409 WeakPolarHBondContact CD2-O 3.44Å; H407-F409 HydrophobicContact CB-CE2 4.14Å; H407-F409 HydrophobicContact CB-CZ 4.29Å; H407-F409 AromaticContact ND1-CD1 3.64Å; H407-F409 AromaticContact ND1-CE1 3.82Å; H407-F409 AromaticContact ND1-CG 3.79Å; H407-F409 WeakPolarHBondContact O-CD2 3.46Å; H407-F409 PolarHBondContact O-N 2.89Å; H407-F409 VanDerWaalsContact O-N 3.09Å
410	R	88.8	Confident	87.1	Confident	50 Å²	50	47.4 Å²	47.4	19%	0.189	26%	0.256	C	S	.	.			trans	-94.9	148.7	178.8	-53.1	178.4	-158.8	-154.5	9	110.2	H140 C141 E188 H271 V408 K412	H140-R410 PolarHBondContact O-NH1 3.17Å; C141-R410 HydrophobicContact CB-CB 4.41Å; E188-R410 IonicContact OE1-NH1 2.93Å; E188-R410 IonicContact OE1-NH2 3.71Å; E188-R410 PolarHBondContact OE1-NH2 3.37Å; E188-R410 IonicContact OE2-CZ 3.13Å; E188-R410 IonicContact OE2-NH2 2.99Å; E188-R410 PolarHBondContact OE2-NH2 3.41Å; H271-R410 PolarHBondContact CE1-NH2 2.67Å; H271-R410 PolarHBondContact ND1-NH2 3.16Å; V408-R410 PolarHBondContact O-N 3.22Å; R410-K412 WeakPolarHBondContact CB-O 3.14Å
411	T	76.6	Confident	86.1	Confident	118 Å²	118	51.9 Å²	51.9	72%	0.724	28%	0.283	S	S	*	.	S	Bend	trans	-81.8	-20.4	175.6	53.8	0	0	0	0	113
412	K	76.9	Confident	85.5	Confident	156 Å²	156	53.5 Å²	53.5	68%	0.678	30%	0.295	S	S	*	.	S	Bend	trans	-140.5	151.1	178.6	-64.2	-177.7	-178.3	178.1	0	109.3	R410	R410-K412 WeakPolarHBondContact CB-O 3.14Å
413	S	78.3	Confident	85.1	Confident	63 Å²	63	53.7 Å²	53.7	44%	0.441	30%	0.296	S	S	.	.			trans	-69	130.3	171.2	-179	0	0	0	0	109.5	H415	S413-H415 PolarHBondContact O-N 2.76Å; S413-H415 PolarHBondContact OG-N 2.93Å
414	P	74.4	Confident	84.8	Confident	39 Å²	39	55.6 Å²	55.6	25%	0.253	31%	0.306	S	S	.	.			trans	-76.5	-9.6	174.6	37.3	-42.3	0	0	0	112.1	C141	C141-P414 HydrophobicContact CB-CB 4.46Å
415	H	80.5	Confident	84.5	Confident	67 Å²	67	55.8 Å²	55.8	31%	0.31	31%	0.308	S	S	.	.	S	Bend	trans	-95.5	144.3	-167.1	-57.2	-50.4	0	0	0	112.2	H186 S413	H186-H415 AromaticContact CD2-ND1 3.56Å; H186-H415 PolarHBondContact O-CE1 2.95Å; H186-H415 VanDerWaalsContact O-CE1 3.24Å; S413-H415 PolarHBondContact O-N 2.76Å; S413-H415 PolarHBondContact OG-N 2.93Å
416	T	76.8	Confident	84.3	Confident	101 Å²	101	57.2 Å²	57.2	62%	0.62	31%	0.313	S	S	*	.			trans	-72.8	148.5	168.1	58.4	0	0	0	0	110.1	R246 P418	R246-T416 VanDerWaalsContact CZ-O 3.25Å; R246-T416 PolarHBondContact NH1-O 3.19Å; R246-T416 PolarHBondContact NH2-O 3.07Å; T416-P418 WeakPolarHBondContact O-CD 3.47Å
417	F	77.7	Confident	84.2	Confident	42 Å²	42	57.2 Å²	57.2	18%	0.184	31%	0.313	C	S	.	.			trans	-111.3	98.4	172.7	-71.8	-98.2	0	0	0	107.5	I378 K419 G420 I424	I378-F417 HydrophobicContact CG2-CD1 3.96Å; I378-F417 HydrophobicContact CG2-CE1 3.97Å; F417-K419 PolarHBondContact O-N 3.43Å; F417-K419 VanDerWaalsContact O-N 3.08Å; F417-G420 WeakPolarHBondContact O-CA 3.32Å; F417-G420 PolarHBondContact O-N 3Å; F417-I424 HydrophobicContact CE1-CD1 4.07Å; F417-I424 HydrophobicContact CE1-CG1 4.21Å; F417-I424 HydrophobicContact CZ-CD1 4.29Å
418	P	68.8	Low	84.2	Confident	90 Å²	90	57 Å²	57	58%	0.584	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-32	-172.9	-29.4	34.5	0	0	0	114.1	T416	T416-P418 WeakPolarHBondContact O-CD 3.47Å
419	K	71.8	Confident	84.2	Confident	134 Å²	134	56.9 Å²	56.9	58%	0.583	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	13.3	176.9	-60.2	-179.6	-174.3	170.2	0	113.4	E377 F417 S422 V423	E377-K419 VanDerWaalsContact CD-NZ 3.29Å; E377-K419 IonicContact OE1-NZ 3.75Å; E377-K419 PolarHBondContact OE1-NZ 3.03Å; E377-K419 VanDerWaalsContact OE1-NZ 3.16Å; E377-K419 WeakPolarHBondContact OE2-CD 3.39Å; E377-K419 WeakPolarHBondContact OE2-CE 3.03Å; E377-K419 IonicContact OE2-NZ 2.96Å; E377-K419 PolarHBondContact OE2-NZ 2.98Å; F417-K419 PolarHBondContact O-N 3.43Å; F417-K419 VanDerWaalsContact O-N 3.08Å; K419-S422 PolarHBondContact O-OG 2.94Å; K419-V423 HydrophobicContact CB-CG2 3.72Å
420	G	80.4	Confident	84.4	Confident	31 Å²	31	53.7 Å²	53.7	32%	0.32	30%	0.297	S	S	.	.			trans	76.9	-178.7	-175.3	0	0	0	0	0	114.3	F417 S422 V423	F417-G420 WeakPolarHBondContact O-CA 3.32Å; F417-G420 PolarHBondContact O-N 3Å; G420-S422 PolarHBondContact O-N 2.89Å; G420-V423 WeakPolarHBondContact O-CG2 3.44Å; G420-V423 PolarHBondContact O-N 2.84Å
421	T	78.7	Confident	84.9	Confident	100 Å²	100	51.3 Å²	51.3	61%	0.613	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-10.7	-178.5	52.1	0	0	0	0	113.7	V423 I424	T421-V423 PolarHBondContact O-N 3.49Å; T421-V423 VanDerWaalsContact O-N 3.12Å; T421-I424 PolarHBondContact O-N 3.02Å
422	S	84.8	Confident	85.9	Confident	40 Å²	40	45.7 Å²	45.7	28%	0.28	25%	0.254	S	S	.	.	H	α-helix	trans	-56.6	-24.3	173.3	59.5	0	0	0	0	113	K419 G420 I424 A425 R426	K419-S422 PolarHBondContact O-OG 2.94Å; G420-S422 PolarHBondContact O-N 2.89Å; S422-I424 VanDerWaalsContact C-N 3.3Å; S422-I424 PolarHBondContact O-N 3.47Å; S422-A425 PolarHBondContact O-N 3.36Å; S422-R426 PolarHBondContact O-N 2.75Å
423	V	89.9	Confident	87	Confident	5 Å²	5	40.4 Å²	40.4	3%	0.03	23%	0.231	C	C	.	.	H	α-helix	trans	-58.6	-40.5	174.6	173	0	0	0	0	111.9	E377 I378 K419 G420 T421 R426 N427	E377-V423 HydrophobicContact CB-CG1 3.68Å; E377-V423 WeakPolarHBondContact O-CG1 3.44Å; I378-V423 HydrophobicContact CB-CG1 4.2Å; I378-V423 HydrophobicContact CG1-CG1 4.34Å; K419-V423 HydrophobicContact CB-CG2 3.72Å; G420-V423 WeakPolarHBondContact O-CG2 3.44Å; G420-V423 PolarHBondContact O-N 2.84Å; T421-V423 PolarHBondContact O-N 3.49Å; T421-V423 VanDerWaalsContact O-N 3.12Å; V423-R426 WeakPolarHBondContact O-CB 3.48Å; V423-R426 PolarHBondContact O-N 2.93Å; V423-N427 VanDerWaalsContact O-CG 3.28Å; V423-N427 PolarHBondContact O-N 2.76Å; V423-N427 PolarHBondContact O-OD1 2.8Å
424	I	90.8	Very high	87.9	Confident	39 Å²	39	37.5 Å²	37.5	20%	0.2	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-47.2	179	-60.1	170.2	0	0	0	109.5	W379 F417 T421 S422 R426 N427 Q428	W379-I424 HydrophobicContact CE3-CD1 4.29Å; W379-I424 HydrophobicContact CZ3-CD1 4.25Å; F417-I424 HydrophobicContact CE1-CD1 4.07Å; F417-I424 HydrophobicContact CE1-CG1 4.21Å; F417-I424 HydrophobicContact CZ-CD1 4.29Å; T421-I424 PolarHBondContact O-N 3.02Å; S422-I424 VanDerWaalsContact C-N 3.3Å; S422-I424 PolarHBondContact O-N 3.47Å; I424-R426 PolarHBondContact O-N 3.04Å; I424-N427 PolarHBondContact O-N 2.81Å; I424-Q428 WeakPolarHBondContact O-CG 3.48Å; I424-Q428 PolarHBondContact O-N 2.81Å
425	A	92.3	Very high	89.1	Confident	5 Å²	5	35.6 Å²	35.6	4%	0.041	20%	0.199	C	C	.	.	H	α-helix	trans	-59.6	-38.3	175.9	0	0	0	0	0	111.3	S422 Q428 V429 Q449	S422-A425 PolarHBondContact O-N 3.36Å; A425-Q428 PolarHBondContact O-N 2.88Å; A425-V429 VanDerWaalsContact O-CG2 3.25Å; A425-V429 WeakPolarHBondContact O-CG2 3.46Å; A425-V429 PolarHBondContact O-N 3.03Å; A425-Q449 HydrophobicContact CB-CG 4.49Å
426	R	95.6	Very high	90	Very high	29 Å²	29	32.4 Å²	32.4	11%	0.109	18%	0.184	C	C	.	.	H	α-helix	trans	-60.7	-50.1	174.5	-173.4	-176.9	158.9	-77	5.2	112.5	Q375 E377 S422 V423 I424 Q428 V429 R430 M453 F459	Q375-R426 PolarHBondContact O-NH1 2.95Å; Q375-R426 PolarHBondContact O-NH2 2.79Å; E377-R426 IonicContact OE1-CZ 3.1Å; E377-R426 IonicContact OE1-NH1 3.89Å; E377-R426 IonicContact OE1-NH2 2.65Å; S422-R426 PolarHBondContact O-N 2.75Å; V423-R426 WeakPolarHBondContact O-CB 3.48Å; V423-R426 PolarHBondContact O-N 2.93Å; I424-R426 PolarHBondContact O-N 3.04Å; R426-Q428 VanDerWaalsContact C-N 3.28Å; R426-Q428 PolarHBondContact O-N 2.75Å; R426-V429 PolarHBondContact O-N 2.74Å; R426-R430 WeakPolarHBondContact O-CG 3.3Å; R426-R430 PolarHBondContact O-N 3.17Å; R426-M453 WeakPolarHBondContact CA-SD 3.45Å; R426-M453 HydrophobicContact CB-CE 3.88Å; R426-M453 HydrophobicContact CB-SD 3.58Å; R426-M453 VanDerWaalsContact CB-SD 3.58Å; R426-M453 HydrophobicContact CG-CE 4.5Å; R426-M453 HydrophobicContact CG-SD 3.76Å; R426-F459 HydrophobicContact CG-CB 4.32Å; R426-F459 PolarHBondContact NE-O 3.47Å
427	N	96.7	Very high	91	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.2	-39.9	178.1	-62.2	-12.1	0	0	0	111.1	M376 E377 G380 V423 I424 R430 L431	M376-N427 WeakPolarHBondContact CA-OD1 3.48Å; M376-N427 HydrophobicContact CB-CB 4.4Å; M376-N427 HydrophobicContact CE-CB 4.48Å; M376-N427 HydrophobicContact CG-CB 4Å; M376-N427 HydrophobicContact SD-CB 4.16Å; E377-N427 PolarHBondContact N-OD1 2.56Å; E377-N427 VanDerWaalsContact N-OD1 3.08Å; E377-N427 PolarHBondContact O-ND2 2.8Å; G380-N427 WeakPolarHBondContact O-CB 3.32Å; G380-N427 PolarHBondContact O-ND2 2.87Å; V423-N427 VanDerWaalsContact O-CG 3.28Å; V423-N427 PolarHBondContact O-N 2.76Å; V423-N427 PolarHBondContact O-OD1 2.8Å; I424-N427 PolarHBondContact O-N 2.81Å; N427-R430 PolarHBondContact O-N 2.94Å; N427-L431 PolarHBondContact O-N 2.9Å
428	Q	97.3	Very high	91.9	Very high	15 Å²	15	30.5 Å²	30.5	7%	0.07	18%	0.176	C	C	.	.	H	α-helix	trans	-65.9	-35.8	174.8	-71.3	176.5	-34	0	0	113.4	S326 L327 I424 A425 R426 L431 A432 F443	S326-Q428 PolarHBondContact O-NE2 2.8Å; S326-Q428 VanDerWaalsContact O-NE2 3.13Å; L327-Q428 HydrophobicContact CB-CG 4.16Å; L327-Q428 HydrophobicContact CD1-CB 4.12Å; L327-Q428 PolarHBondContact O-NE2 2.81Å; I424-Q428 WeakPolarHBondContact O-CG 3.48Å; I424-Q428 PolarHBondContact O-N 2.81Å; A425-Q428 PolarHBondContact O-N 2.88Å; R426-Q428 VanDerWaalsContact C-N 3.28Å; R426-Q428 PolarHBondContact O-N 2.75Å; Q428-L431 WeakPolarHBondContact O-CG 3.23Å; Q428-A432 WeakPolarHBondContact O-CB 3.21Å; Q428-A432 PolarHBondContact O-N 3.34Å; Q428-F443 HydrophobicContact CB-CE1 4.21Å; Q428-F443 HydrophobicContact CB-CE2 4.49Å; Q428-F443 HydrophobicContact CB-CZ 3.72Å
429	V	98.1	Very high	93.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.9	-43.3	173.4	173.4	0	0	0	0	110.2	A425 R426 L431 A432 E433 F443 Y444 A450 M453 A454 F459	A425-V429 VanDerWaalsContact O-CG2 3.25Å; A425-V429 WeakPolarHBondContact O-CG2 3.46Å; A425-V429 PolarHBondContact O-N 3.03Å; R426-V429 PolarHBondContact O-N 2.74Å; V429-L431 PolarHBondContact O-N 3.44Å; V429-A432 PolarHBondContact O-N 3.23Å; V429-E433 HydrophobicContact CG1-CG 4.13Å; V429-E433 WeakPolarHBondContact O-CB 3.48Å; V429-E433 WeakPolarHBondContact O-CG 3.17Å; V429-E433 PolarHBondContact O-N 2.95Å; V429-F443 HydrophobicContact CG2-CE1 4.3Å; V429-Y444 HydrophobicContact CG1-CE1 4.44Å; V429-Y444 HydrophobicContact CG2-CE1 4.11Å; V429-A450 HydrophobicContact CG2-CB 3.6Å; V429-M453 HydrophobicContact CB-SD 4.35Å; V429-M453 HydrophobicContact CG2-CB 4.33Å; V429-M453 HydrophobicContact CG2-SD 4.14Å; V429-A454 HydrophobicContact CG1-CB 4.08Å; V429-F459 HydrophobicContact CB-CB 4.1Å; V429-F459 HydrophobicContact CB-CG 4.49Å; V429-F459 HydrophobicContact CG1-CB 3.66Å; V429-F459 HydrophobicContact CG1-CD1 3.37Å; V429-F459 HydrophobicContact CG1-CD2 4.43Å; V429-F459 HydrophobicContact CG1-CE1 4.08Å; V429-F459 HydrophobicContact CG1-CG 3.57Å
430	R	98.4	Very high	94.5	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.011	14%	0.136	C	C	.	.	H	α-helix	trans	-58	-49.5	177.7	-66.5	178.5	66	73	8.7	111.8	D373 Q375 R426 N427 A432 E433 V434 F459 D461 I462	D373-R430 IonicContact OD1-CZ 3.27Å; D373-R430 IonicContact OD1-NE 2.72Å; D373-R430 IonicContact OD1-NH2 2.97Å; D373-R430 PolarHBondContact OD1-NH2 3.09Å; D373-R430 VanDerWaalsContact OD1-NH2 3.1Å; D373-R430 IonicContact OD2-CZ 3.83Å; D373-R430 VanDerWaalsContact OD2-CZ 3.27Å; D373-R430 IonicContact OD2-NE 2.82Å; D373-R430 PolarHBondContact OD2-NE 2.82Å; D373-R430 IonicContact OD2-NH2 3.93Å; D373-R430 PolarHBondContact OD2-NH2 2.88Å; Q375-R430 VanDerWaalsContact CB-CZ 3.43Å; Q375-R430 VanDerWaalsContact CB-NH2 3.29Å; R426-R430 WeakPolarHBondContact O-CG 3.3Å; R426-R430 PolarHBondContact O-N 3.17Å; N427-R430 PolarHBondContact O-N 2.94Å; R430-A432 VanDerWaalsContact C-N 3.34Å; R430-A432 PolarHBondContact O-N 2.83Å; R430-E433 PolarHBondContact O-N 2.97Å; R430-V434 VanDerWaalsContact O-CG2 3.31Å; R430-V434 WeakPolarHBondContact O-CG2 3.33Å; R430-V434 PolarHBondContact O-N 2.72Å; R430-F459 WeakPolarHBondContact CD-O 3.36Å; R430-F459 HydrophobicContact CG-CB 4.06Å; R430-F459 HydrophobicContact CG-CD2 4.27Å; R430-F459 WeakPolarHBondContact CG-O 3.43Å; R430-F459 PolarHBondContact NH1-O 2.85Å; R430-D461 VanDerWaalsContact CZ-O 3.31Å; R430-D461 PolarHBondContact NH1-O 2.65Å; R430-D461 PolarHBondContact NH2-O 2.7Å; R430-I462 HydrophobicContact CB-CG2 4.41Å; R430-I462 HydrophobicContact CG-CG2 4.32Å
431	L	98	Very high	95.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-65.2	-38.4	178.4	82.2	81.2	0	0	0	111.8	L327 M376 G381 V384 E385 F388 N427 Q428 V429 V434 W435 M436	L327-L431 HydrophobicContact CD1-CD1 3.9Å; L327-L431 HydrophobicContact CD1-CG 4.42Å; L327-L431 HydrophobicContact CD2-CD1 4.45Å; M376-L431 HydrophobicContact CE-CB 4.03Å; G381-L431 VanDerWaalsContact O-CD2 3.31Å; G381-L431 WeakPolarHBondContact O-CD2 3.37Å; V384-L431 HydrophobicContact CB-CD2 4.29Å; V384-L431 HydrophobicContact CG1-CD1 4.43Å; V384-L431 HydrophobicContact CG1-CD2 4.46Å; E385-L431 HydrophobicContact CB-CB 3.6Å; E385-L431 HydrophobicContact CB-CD2 4.2Å; E385-L431 HydrophobicContact CB-CG 4.45Å; E385-L431 HydrophobicContact CG-CB 3.63Å; F388-L431 HydrophobicContact CD2-CD1 4.05Å; F388-L431 HydrophobicContact CE2-CD1 3.88Å; N427-L431 PolarHBondContact O-N 2.9Å; Q428-L431 WeakPolarHBondContact O-CG 3.23Å; V429-L431 PolarHBondContact O-N 3.44Å; L431-V434 PolarHBondContact O-N 3.33Å; L431-W435 WeakPolarHBondContact O-CB 3.36Å; L431-W435 PolarHBondContact O-N 3.31Å; L431-M436 HydrophobicContact CD1-SD 4.23Å
432	A	98.5	Very high	96	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66.8	-41.6	-179.6	0	0	0	0	0	112	L327 Q428 V429 R430 V434 M436 K440 F443	L327-A432 HydrophobicContact CD1-CB 4.13Å; Q428-A432 WeakPolarHBondContact O-CB 3.21Å; Q428-A432 PolarHBondContact O-N 3.34Å; V429-A432 PolarHBondContact O-N 3.23Å; R430-A432 VanDerWaalsContact C-N 3.34Å; R430-A432 PolarHBondContact O-N 2.83Å; A432-V434 VanDerWaalsContact C-N 3.32Å; A432-V434 PolarHBondContact O-N 3.12Å; A432-M436 HydrophobicContact CB-CG 4.4Å; A432-M436 HydrophobicContact CB-SD 3.6Å; A432-M436 VanDerWaalsContact CB-SD 3.6Å; A432-M436 WeakPolarHBondContact O-CB 3.2Å; A432-M436 PolarHBondContact O-N 3.19Å; A432-K440 HydrophobicContact CB-CB 3.95Å; A432-F443 HydrophobicContact CB-CD1 4.08Å; A432-F443 HydrophobicContact CB-CE1 4.45Å
433	E	98.5	Very high	96.4	Very high	44 Å²	44	20.9 Å²	20.9	21%	0.206	10%	0.102	C	C	.	.	H	α-helix	trans	-63.7	-36.7	177	-77.3	-64.3	134.3	0	0	112.4	V429 R430 K440 Y444 F459 I462	V429-E433 HydrophobicContact CG1-CG 4.13Å; V429-E433 WeakPolarHBondContact O-CB 3.48Å; V429-E433 WeakPolarHBondContact O-CG 3.17Å; V429-E433 PolarHBondContact O-N 2.95Å; R430-E433 PolarHBondContact O-N 2.97Å; E433-K440 WeakPolarHBondContact OE1-CD 3.38Å; E433-K440 WeakPolarHBondContact OE1-CE 3.37Å; E433-K440 IonicContact OE1-NZ 2.72Å; E433-K440 PolarHBondContact OE1-NZ 3.19Å; E433-K440 IonicContact OE2-NZ 3.56Å; E433-K440 PolarHBondContact OE2-NZ 2.93Å; E433-Y444 WeakPolarHBondContact CG-OH 3.4Å; E433-Y444 PolarHBondContact OE1-OH 3.33Å; E433-F459 HydrophobicContact CB-CE2 4.45Å; E433-F459 HydrophobicContact CG-CE1 4.08Å; E433-F459 HydrophobicContact CG-CE2 4.1Å; E433-F459 HydrophobicContact CG-CZ 3.77Å; E433-I462 HydrophobicContact CB-CD1 3.63Å
434	V	98.7	Very high	96.6	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.012	11%	0.105	C	C	.	.	H	α-helix	trans	-82.7	-41.6	-178.7	179	0	0	0	0	112.5	R430 L431 A432 I462 R465 L466 R469	R430-V434 VanDerWaalsContact O-CG2 3.31Å; R430-V434 WeakPolarHBondContact O-CG2 3.33Å; R430-V434 PolarHBondContact O-N 2.72Å; L431-V434 PolarHBondContact O-N 3.33Å; A432-V434 VanDerWaalsContact C-N 3.32Å; A432-V434 PolarHBondContact O-N 3.12Å; V434-I462 HydrophobicContact CG2-CB 4.01Å; V434-I462 HydrophobicContact CG2-CD1 4.04Å; V434-I462 HydrophobicContact CG2-CG2 4.31Å; V434-R465 HydrophobicContact CG1-CB 3.99Å; V434-R465 HydrophobicContact CG2-CB 3.7Å; V434-L466 HydrophobicContact CG1-CD2 4.49Å; V434-L466 HydrophobicContact CG2-CD2 4.41Å; V434-R469 VanDerWaalsContact O-CD 3.26Å; V434-R469 WeakPolarHBondContact O-CD 3.22Å; V434-R469 PolarHBondContact O-NH1 2.9Å
435	W	98.8	Very high	96.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-117.3	-11.7	-161.1	-62.9	110	0	0	0	116.1	E385 F388 R389 Q392 L431 R469 C474 F477	E385-W435 PolarHBondContact OE1-NE1 3.33Å; F388-W435 HydrophobicContact CB-CB 4Å; F388-W435 HydrophobicContact CB-CG 4.26Å; F388-W435 HydrophobicContact CD2-CB 4.1Å; R389-W435 HydrophobicContact CB-CD2 4.34Å; R389-W435 HydrophobicContact CB-CH2 3.82Å; R389-W435 HydrophobicContact CB-CZ2 3.57Å; R389-W435 HydrophobicContact CB-CZ3 4.25Å; R389-W435 HydrophobicContact CG-CH2 3.46Å; R389-W435 VanDerWaalsContact CG-CH2 3.46Å; R389-W435 HydrophobicContact CG-CZ2 3.45Å; R389-W435 VanDerWaalsContact CG-CZ2 3.45Å; R389-W435 HydrophobicContact CG-CZ3 4.22Å; Q392-W435 HydrophobicContact CB-CE3 4.48Å; Q392-W435 HydrophobicContact CB-CZ3 4.45Å; Q392-W435 PolarHBondContact NE2-O 2.86Å; Q392-W435 VanDerWaalsContact NE2-O 3.15Å; Q392-W435 PolarHBondContact OE1-O 2.82Å; L431-W435 WeakPolarHBondContact O-CB 3.36Å; L431-W435 PolarHBondContact O-N 3.31Å; W435-R469 HydrophobicContact CE3-CG 4.29Å; W435-R469 HydrophobicContact CH2-CB 3.95Å; W435-R469 HydrophobicContact CH2-CG 4.07Å; W435-R469 HydrophobicContact CZ3-CB 4.1Å; W435-R469 HydrophobicContact CZ3-CG 3.68Å; W435-C474 HydrophobicContact CZ3-CB 4.12Å; W435-F477 WeakPolarHBondContact O-CB 3.47Å; W435-F477 WeakPolarHBondContact O-CD2 3.14Å
436	M	98.6	Very high	96.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.101	C	C	.	.			trans	-105.1	0.9	-171.5	-66.4	178.8	70.1	0	0	115.1	W325 L327 F388 L431 A432 S438 Y439 K440 F443 F477	W325-M436 HydrophobicContact CE3-CE 4.36Å; W325-M436 HydrophobicContact CZ3-CE 4.05Å; L327-M436 HydrophobicContact CD1-SD 3.85Å; L327-M436 HydrophobicContact CD2-CE 3.86Å; L327-M436 HydrophobicContact CD2-SD 3.61Å; L327-M436 HydrophobicContact CG-SD 4.3Å; F388-M436 HydrophobicContact CD2-CG 4.31Å; F388-M436 HydrophobicContact CE2-CG 3.92Å; F388-M436 HydrophobicContact CE2-SD 4.3Å; L431-M436 HydrophobicContact CD1-SD 4.23Å; A432-M436 HydrophobicContact CB-CG 4.4Å; A432-M436 HydrophobicContact CB-SD 3.6Å; A432-M436 VanDerWaalsContact CB-SD 3.6Å; A432-M436 WeakPolarHBondContact O-CB 3.2Å; A432-M436 PolarHBondContact O-N 3.19Å; M436-S438 PolarHBondContact O-N 3.36Å; M436-Y439 WeakPolarHBondContact O-CA 3.44Å; M436-Y439 VanDerWaalsContact O-CB 3.29Å; M436-Y439 WeakPolarHBondContact O-CB 3.36Å; M436-Y439 WeakPolarHBondContact O-CD2 3.48Å; M436-Y439 PolarHBondContact O-N 3.49Å; M436-K440 HydrophobicContact CB-CB 4.07Å; M436-F443 HydrophobicContact CE-CB 4.49Å; M436-F477 HydrophobicContact CB-CD1 4.43Å; M436-F477 HydrophobicContact CB-CG 4.39Å; M436-F477 HydrophobicContact CE-CE1 4.31Å; M436-F477 HydrophobicContact CE-CZ 4.37Å; M436-F477 HydrophobicContact CG-CD2 4.3Å; M436-F477 HydrophobicContact CG-CE1 4.4Å; M436-F477 HydrophobicContact CG-CE2 4.08Å; M436-F477 HydrophobicContact CG-CZ 4.12Å
437	D	98.5	Very high	96	Very high	49 Å²	49	22 Å²	22	26%	0.262	11%	0.105	S	C	.	.	G	3₁₀ helix	trans	49	-129.5	-179.7	-55.1	-32.6	0	0	0	112	Y439 K440 R469 S476 F477	D437-Y439 VanDerWaalsContact C-N 3.28Å; D437-Y439 PolarHBondContact O-N 3.14Å; D437-K440 WeakPolarHBondContact O-CD 3.38Å; D437-K440 WeakPolarHBondContact O-CE 3.33Å; D437-K440 VanDerWaalsContact O-CG 3.24Å; D437-K440 WeakPolarHBondContact O-CG 3.36Å; D437-R469 IonicContact OD1-CZ 3.95Å; D437-R469 VanDerWaalsContact OD1-CZ 3.23Å; D437-R469 IonicContact OD1-NH1 3.79Å; D437-R469 PolarHBondContact OD1-NH1 3.16Å; D437-R469 IonicContact OD1-NH2 3.16Å; D437-R469 PolarHBondContact OD1-NH2 3.19Å; D437-R469 IonicContact OD2-NH2 2.72Å; D437-R469 PolarHBondContact OD2-NH2 3.06Å; D437-S476 WeakPolarHBondContact OD2-CA 3.19Å; D437-S476 WeakPolarHBondContact OD2-CB 3.44Å; D437-F477 HydrophobicContact CB-CB 4.43Å; D437-F477 PolarHBondContact OD2-N 3.37Å
438	S	97.5	Very high	95.6	Very high	53 Å²	53	25.8 Å²	25.8	37%	0.371	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-71.2	-18.8	176.1	54	0	0	0	0	114.2	M436 K440 K441	M436-S438 PolarHBondContact O-N 3.36Å; S438-K440 PolarHBondContact O-N 3.47Å; S438-K441 WeakPolarHBondContact O-CB 3.43Å; S438-K441 WeakPolarHBondContact O-CG 3.37Å; S438-K441 PolarHBondContact O-N 3.18Å
439	Y	97.9	Very high	95.3	Very high	30 Å²	30	29.6 Å²	29.6	12%	0.118	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-71.8	-17.5	-176	-60.3	-94.2	0	0	0	113	W325 M436 D437 K441 I442 F477 S478 L481 V490 L493	W325-Y439 HydrophobicContact CH2-CD1 4.27Å; M436-Y439 WeakPolarHBondContact O-CA 3.44Å; M436-Y439 VanDerWaalsContact O-CB 3.29Å; M436-Y439 WeakPolarHBondContact O-CB 3.36Å; M436-Y439 WeakPolarHBondContact O-CD2 3.48Å; M436-Y439 PolarHBondContact O-N 3.49Å; D437-Y439 VanDerWaalsContact C-N 3.28Å; D437-Y439 PolarHBondContact O-N 3.14Å; Y439-K441 PolarHBondContact O-N 3.33Å; Y439-K441 VanDerWaalsContact O-N 3.08Å; Y439-I442 HydrophobicContact CD1-CD1 4.09Å; Y439-I442 VanDerWaalsContact O-CB 3.31Å; Y439-I442 WeakPolarHBondContact O-CB 3.34Å; Y439-I442 PolarHBondContact O-N 3.29Å; Y439-F477 HydrophobicContact CD2-CB 4.16Å; Y439-F477 AromaticContact CD2-CD1 3.6Å; Y439-F477 HydrophobicContact CD2-CD1 3.6Å; Y439-F477 HydrophobicContact CD2-CG 4.36Å; Y439-F477 HydrophobicContact CE2-CD1 4.32Å; Y439-F477 AromaticContact CG-CD1 3.7Å; Y439-F477 HydrophobicContact CG-CD1 3.7Å; Y439-F477 HydrophobicContact CG-CE1 4.24Å; Y439-S478 PolarHBondContact OH-OG 3.02Å; Y439-L481 HydrophobicContact CD1-CD1 3.8Å; Y439-L481 HydrophobicContact CE1-CD1 3.6Å; Y439-L481 HydrophobicContact CE2-CD1 4.36Å; Y439-L481 HydrophobicContact CG-CD1 4.28Å; Y439-V490 HydrophobicContact CD1-CG1 3.99Å; Y439-V490 HydrophobicContact CE1-CG1 3.81Å; Y439-L493 HydrophobicContact CD1-CD2 3.69Å; Y439-L493 HydrophobicContact CD1-CG 4.42Å; Y439-L493 HydrophobicContact CE1-CD1 4.43Å; Y439-L493 HydrophobicContact CE1-CD2 4.17Å; Y439-L493 HydrophobicContact CE1-CG 4.44Å; Y439-L493 HydrophobicContact CG-CD2 4Å
440	K	97.4	Very high	95	Very high	47 Å²	47	29.6 Å²	29.6	20%	0.204	14%	0.143	C	C	.	.	H	α-helix	trans	-54.9	-26	170.9	68.8	-168.9	176.6	175.4	0	113.6	A432 E433 M436 D437 S438 I442 F443 Y444	A432-K440 HydrophobicContact CB-CB 3.95Å; E433-K440 WeakPolarHBondContact OE1-CD 3.38Å; E433-K440 WeakPolarHBondContact OE1-CE 3.37Å; E433-K440 IonicContact OE1-NZ 2.72Å; E433-K440 PolarHBondContact OE1-NZ 3.19Å; E433-K440 IonicContact OE2-NZ 3.56Å; E433-K440 PolarHBondContact OE2-NZ 2.93Å; M436-K440 HydrophobicContact CB-CB 4.07Å; D437-K440 WeakPolarHBondContact O-CD 3.38Å; D437-K440 WeakPolarHBondContact O-CE 3.33Å; D437-K440 VanDerWaalsContact O-CG 3.24Å; D437-K440 WeakPolarHBondContact O-CG 3.36Å; S438-K440 PolarHBondContact O-N 3.47Å; K440-I442 PolarHBondContact O-N 3.11Å; K440-F443 WeakPolarHBondContact O-CB 3.36Å; K440-F443 PolarHBondContact O-N 3.38Å; K440-Y444 HydrophobicContact CB-CD2 4.49Å; K440-Y444 HydrophobicContact CB-CE2 3.89Å; K440-Y444 HydrophobicContact CD-CE2 3.91Å; K440-Y444 HydrophobicContact CG-CD2 4.29Å; K440-Y444 HydrophobicContact CG-CE2 3.65Å; K440-Y444 WeakPolarHBondContact O-CD2 3.36Å; K440-Y444 PolarHBondContact O-N 2.8Å
441	K	95.4	Very high	94.8	Very high	116 Å²	116	30.2 Å²	30.2	50%	0.504	15%	0.149	S	C	.	.	H	α-helix	trans	-60.4	-33.6	175.1	-65.5	180	-179.5	-179.5	0	112.4	S438 Y439 Y444 R445	S438-K441 WeakPolarHBondContact O-CB 3.43Å; S438-K441 WeakPolarHBondContact O-CG 3.37Å; S438-K441 PolarHBondContact O-N 3.18Å; Y439-K441 PolarHBondContact O-N 3.33Å; Y439-K441 VanDerWaalsContact O-N 3.08Å; K441-Y444 PolarHBondContact O-N 2.76Å; K441-R445 WeakPolarHBondContact O-CG 3.26Å; K441-R445 PolarHBondContact O-N 2.85Å; K441-R445 VanDerWaalsContact O-N 3.09Å
442	I	94	Very high	94.6	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.7	-45.2	177.3	-58.9	175.8	0	0	0	109.8	W325 Y439 K440 R446 V490 P491 L493	W325-I442 HydrophobicContact CB-CG2 3.95Å; W325-I442 HydrophobicContact CD2-CB 4.46Å; W325-I442 HydrophobicContact CD2-CG2 3.68Å; W325-I442 HydrophobicContact CE3-CB 3.88Å; W325-I442 HydrophobicContact CE3-CD1 4.11Å; W325-I442 HydrophobicContact CE3-CG2 3.58Å; W325-I442 HydrophobicContact CG-CG2 3.84Å; W325-I442 HydrophobicContact CH2-CD1 3.99Å; W325-I442 HydrophobicContact CZ2-CD1 4.44Å; W325-I442 HydrophobicContact CZ3-CB 4.27Å; W325-I442 HydrophobicContact CZ3-CD1 3.81Å; W325-I442 HydrophobicContact CZ3-CG2 4.33Å; Y439-I442 HydrophobicContact CD1-CD1 4.09Å; Y439-I442 VanDerWaalsContact O-CB 3.31Å; Y439-I442 WeakPolarHBondContact O-CB 3.34Å; Y439-I442 PolarHBondContact O-N 3.29Å; K440-I442 PolarHBondContact O-N 3.11Å; I442-R446 WeakPolarHBondContact O-CG 3.49Å; I442-R446 PolarHBondContact O-NH1 2.83Å; I442-V490 HydrophobicContact CD1-CG1 4.2Å; I442-P491 HydrophobicContact CD1-CB 4.41Å; I442-P491 WeakPolarHBondContact CD1-O 3.41Å; I442-P491 HydrophobicContact CG2-CB 4.05Å; I442-P491 HydrophobicContact CG2-CG 3.82Å; I442-L493 HydrophobicContact CD1-CD2 4Å; I442-L493 HydrophobicContact CG1-CD2 4.15Å
443	F	94.2	Very high	94.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.2	-48.8	175.9	166	-119.5	0	0	0	112	W325 L327 Q428 V429 A432 M436 K440 R445 R446 N447 A450	W325-F443 WeakPolarHBondContact O-CA 3.38Å; L327-F443 HydrophobicContact CB-CD2 4.44Å; L327-F443 HydrophobicContact CB-CE2 4.37Å; L327-F443 HydrophobicContact CD1-CB 4.35Å; L327-F443 HydrophobicContact CD1-CD1 3.69Å; L327-F443 HydrophobicContact CD1-CD2 3.8Å; L327-F443 HydrophobicContact CD1-CE1 3.83Å; L327-F443 HydrophobicContact CD1-CE2 3.94Å; L327-F443 HydrophobicContact CD1-CG 3.68Å; L327-F443 HydrophobicContact CD1-CZ 3.96Å; L327-F443 HydrophobicContact CG-CB 4.43Å; L327-F443 HydrophobicContact CG-CD2 3.79Å; L327-F443 HydrophobicContact CG-CE2 4.13Å; L327-F443 HydrophobicContact CG-CG 4.01Å; Q428-F443 HydrophobicContact CB-CE1 4.21Å; Q428-F443 HydrophobicContact CB-CE2 4.49Å; Q428-F443 HydrophobicContact CB-CZ 3.72Å; V429-F443 HydrophobicContact CG2-CE1 4.3Å; A432-F443 HydrophobicContact CB-CD1 4.08Å; A432-F443 HydrophobicContact CB-CE1 4.45Å; M436-F443 HydrophobicContact CE-CB 4.49Å; K440-F443 WeakPolarHBondContact O-CB 3.36Å; K440-F443 PolarHBondContact O-N 3.38Å; F443-R445 VanDerWaalsContact C-N 3.31Å; F443-R445 PolarHBondContact O-N 3.34Å; F443-R446 PolarHBondContact O-N 3.01Å; F443-N447 HydrophobicContact CD2-CB 4.39Å; F443-N447 HydrophobicContact CE2-CB 3.93Å; F443-N447 HydrophobicContact CZ-CB 4.36Å; F443-N447 PolarHBondContact O-N 3.36Å; F443-A450 HydrophobicContact CD1-CB 4.39Å; F443-A450 HydrophobicContact CE1-CB 3.47Å; F443-A450 VanDerWaalsContact CE1-CB 3.47Å; F443-A450 HydrophobicContact CE2-CB 4.33Å; F443-A450 HydrophobicContact CZ-CB 3.43Å; F443-A450 VanDerWaalsContact CZ-CB 3.43Å
444	Y	93.5	Very high	94.3	Very high	25 Å²	25	35.5 Å²	35.5	10%	0.098	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-35.4	-179.3	-62.9	-28.4	0	0	0	113.3	V429 E433 K440 K441 R446 N447 A450 A451 A454	V429-Y444 HydrophobicContact CG1-CE1 4.44Å; V429-Y444 HydrophobicContact CG2-CE1 4.11Å; E433-Y444 WeakPolarHBondContact CG-OH 3.4Å; E433-Y444 PolarHBondContact OE1-OH 3.33Å; K440-Y444 HydrophobicContact CB-CD2 4.49Å; K440-Y444 HydrophobicContact CB-CE2 3.89Å; K440-Y444 HydrophobicContact CD-CE2 3.91Å; K440-Y444 HydrophobicContact CG-CD2 4.29Å; K440-Y444 HydrophobicContact CG-CE2 3.65Å; K440-Y444 WeakPolarHBondContact O-CD2 3.36Å; K440-Y444 PolarHBondContact O-N 2.8Å; K441-Y444 PolarHBondContact O-N 2.76Å; Y444-R446 PolarHBondContact O-N 2.98Å; Y444-N447 CarbonylContact O-C 3.42Å; Y444-N447 PolarHBondContact O-N 3.17Å; Y444-A450 HydrophobicContact CD1-CB 4.06Å; Y444-A450 HydrophobicContact CE1-CB 4.37Å; Y444-A451 HydrophobicContact CG-CB 4.49Å; Y444-A451 WeakPolarHBondContact O-CB 3.47Å; Y444-A454 HydrophobicContact CD1-CB 4.49Å; Y444-A454 HydrophobicContact CD2-CB 4.37Å; Y444-A454 HydrophobicContact CE1-CB 3.99Å; Y444-A454 HydrophobicContact CE2-CB 3.84Å
445	R	90.3	Very high	94.2	Very high	26 Å²	26	43.2 Å²	43.2	10%	0.098	21%	0.21	C	C	.	.	H	α-helix	trans	-64.3	-28.9	175	-70.9	-169	-60.7	-99.2	4.7	113.4	K441 F443 D492 L493 Y498 Y535 E537	K441-R445 WeakPolarHBondContact O-CG 3.26Å; K441-R445 PolarHBondContact O-N 2.85Å; K441-R445 VanDerWaalsContact O-N 3.09Å; F443-R445 VanDerWaalsContact C-N 3.31Å; F443-R445 PolarHBondContact O-N 3.34Å; R445-D492 PolarHBondContact NH2-O 2.97Å; R445-L493 PolarHBondContact NH1-O 3.36Å; R445-Y498 HydrophobicContact CB-CD2 4.46Å; R445-Y498 HydrophobicContact CG-CD2 4.1Å; R445-Y498 HydrophobicContact CG-CE2 3.82Å; R445-Y535 HydrophobicContact CB-CE2 4.19Å; R445-Y535 VanDerWaalsContact CB-OH 3.26Å; R445-Y535 WeakPolarHBondContact CB-OH 3.37Å; R445-Y535 WeakPolarHBondContact O-CE2 3.4Å; R445-E537 IonicContact CZ-OE1 3.58Å; R445-E537 IonicContact NE-OE1 3.59Å; R445-E537 PolarHBondContact NE-OE1 2.85Å; R445-E537 IonicContact NH2-OE1 3.62Å; R445-E537 PolarHBondContact NH2-OE1 2.88Å
446	R	88.2	Confident	94	Very high	13 Å²	13	48.7 Å²	48.7	5%	0.049	24%	0.236	C	C	.	.	H	α-helix	trans	-88.7	-25.3	-177.6	-67.4	167.8	173.2	59.6	2.8	112.6	I442 F443 Y444 P491 Y535 E537 N547 I548	I442-R446 WeakPolarHBondContact O-CG 3.49Å; I442-R446 PolarHBondContact O-NH1 2.83Å; F443-R446 PolarHBondContact O-N 3.01Å; Y444-R446 PolarHBondContact O-N 2.98Å; R446-P491 VanDerWaalsContact NH2-CG 3.33Å; R446-Y535 HydrophobicContact CG-CE1 3.96Å; R446-E537 IonicContact CZ-OE1 2.84Å; R446-E537 IonicContact CZ-OE2 3.18Å; R446-E537 IonicContact NH1-OE1 3.98Å; R446-E537 PolarHBondContact NH1-OE1 3.12Å; R446-E537 IonicContact NH1-OE2 2.8Å; R446-E537 IonicContact NH2-OE1 2.7Å; R446-E537 PolarHBondContact NH2-OE1 2.8Å; R446-E537 VanDerWaalsContact NH2-OE1 3.14Å; R446-E537 IonicContact NH2-OE2 4Å; R446-E537 PolarHBondContact NH2-OE2 3.11Å; R446-N547 PolarHBondContact NE-O 2.89Å; R446-N547 PolarHBondContact NH2-ND2 2.98Å; R446-N547 PolarHBondContact NH2-OD1 2.96Å; R446-I548 HydrophobicContact CB-CD1 3.8Å; R446-I548 HydrophobicContact CG-CD1 3.77Å
447	N	88.6	Confident	93.8	Very high	37 Å²	37	56.5 Å²	56.5	20%	0.198	27%	0.27	C	S	.	.			trans	-125.5	93.5	-179.6	-172.1	-27.3	0	0	0	110.3	F443 Y444 Q449 A450 A451	F443-N447 HydrophobicContact CD2-CB 4.39Å; F443-N447 HydrophobicContact CE2-CB 3.93Å; F443-N447 HydrophobicContact CZ-CB 4.36Å; F443-N447 PolarHBondContact O-N 3.36Å; Y444-N447 CarbonylContact O-C 3.42Å; Y444-N447 PolarHBondContact O-N 3.17Å; N447-Q449 PolarHBondContact O-N 3.35Å; N447-Q449 WeakPolarHBondContact OD1-CB 3.46Å; N447-Q449 PolarHBondContact OD1-N 2.92Å; N447-A450 HydrophobicContact CB-CB 3.92Å; N447-A450 WeakPolarHBondContact O-CB 3.41Å; N447-A450 PolarHBondContact O-N 3.35Å; N447-A450 VanDerWaalsContact O-N 3.1Å; N447-A450 PolarHBondContact OD1-N 2.8Å; N447-A451 PolarHBondContact O-N 2.02Å
448	L	87.6	Confident	93.7	Very high	80 Å²	80	57.1 Å²	57.1	42%	0.419	28%	0.278	S	S	.	.	H	α-helix	trans	-61.5	-32.3	-178.6	-64.1	-178.3	0	0	0	113	A451 K452 G529	L448-A451 PolarHBondContact O-N 3.27Å; L448-K452 WeakPolarHBondContact O-CB 3.36Å; L448-K452 PolarHBondContact O-N 3.49Å; L448-G529 WeakPolarHBondContact CD1-O 3.14Å
449	Q	89.8	Confident	93.6	Very high	95 Å²	95	55.3 Å²	55.3	44%	0.444	26%	0.263	S	S	.	.	H	α-helix	trans	-64.3	-43.7	175.5	-177.8	178.6	11.7	0	0	110.8	A425 N447 K452 M453	A425-Q449 HydrophobicContact CB-CG 4.49Å; N447-Q449 PolarHBondContact O-N 3.35Å; N447-Q449 WeakPolarHBondContact OD1-CB 3.46Å; N447-Q449 PolarHBondContact OD1-N 2.92Å; Q449-K452 PolarHBondContact O-N 2.91Å; Q449-M453 WeakPolarHBondContact O-CB 3.32Å; Q449-M453 PolarHBondContact O-N 3.35Å
450	A	93.1	Very high	93.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.2	-41.4	175.1	0	0	0	0	0	111.9	V429 F443 Y444 N447 M453 A454	V429-A450 HydrophobicContact CG2-CB 3.6Å; F443-A450 HydrophobicContact CD1-CB 4.39Å; F443-A450 HydrophobicContact CE1-CB 3.47Å; F443-A450 VanDerWaalsContact CE1-CB 3.47Å; F443-A450 HydrophobicContact CE2-CB 4.33Å; F443-A450 HydrophobicContact CZ-CB 3.43Å; F443-A450 VanDerWaalsContact CZ-CB 3.43Å; Y444-A450 HydrophobicContact CD1-CB 4.06Å; Y444-A450 HydrophobicContact CE1-CB 4.37Å; N447-A450 HydrophobicContact CB-CB 3.92Å; N447-A450 WeakPolarHBondContact O-CB 3.41Å; N447-A450 PolarHBondContact O-N 3.35Å; N447-A450 VanDerWaalsContact O-N 3.1Å; N447-A450 PolarHBondContact OD1-N 2.8Å; A450-M453 PolarHBondContact O-N 3.48Å; A450-A454 WeakPolarHBondContact O-CB 3.36Å; A450-A454 PolarHBondContact O-N 3.34Å
451	A	93.6	Very high	93.4	Very high	16 Å²	16	58.3 Å²	58.3	13%	0.132	29%	0.292	C	S	.	.	H	α-helix	trans	-59.1	-48.1	175.7	0	0	0	0	0	112.2	Y444 N447 L448 M453 A454 Q455	Y444-A451 HydrophobicContact CG-CB 4.49Å; Y444-A451 WeakPolarHBondContact O-CB 3.47Å; N447-A451 PolarHBondContact O-N 2.02Å; L448-A451 PolarHBondContact O-N 3.27Å; A451-M453 VanDerWaalsContact C-N 3.34Å; A451-M453 PolarHBondContact O-N 3.08Å; A451-A454 PolarHBondContact O-N 3.2Å; A451-Q455 WeakPolarHBondContact O-CG 3.3Å; A451-Q455 PolarHBondContact O-N 2.84Å
452	K	94.2	Very high	93.6	Very high	122 Å²	122	53.6 Å²	53.6	53%	0.53	27%	0.273	S	S	.	.	H	α-helix	trans	-59.4	-46.5	177	-178.3	176	176.9	178.6	0	111.1	L448 Q449 A454 Q455 E456	L448-K452 WeakPolarHBondContact O-CB 3.36Å; L448-K452 PolarHBondContact O-N 3.49Å; Q449-K452 PolarHBondContact O-N 2.91Å; K452-A454 VanDerWaalsContact C-N 3.33Å; K452-A454 PolarHBondContact O-N 2.86Å; K452-Q455 PolarHBondContact O-N 3.41Å; K452-E456 WeakPolarHBondContact CE-OE1 3.37Å; K452-E456 HydrophobicContact CG-CG 4.41Å; K452-E456 IonicContact NZ-OE1 4Å; K452-E456 WeakPolarHBondContact O-CB 3.41Å; K452-E456 WeakPolarHBondContact O-CG 3.13Å; K452-E456 PolarHBondContact O-N 2.83Å
453	M	94.9	Very high	93.8	Very high	20 Å²	20	56.8 Å²	56.8	10%	0.099	30%	0.295	C	S	.	.	H	α-helix	trans	-62.3	-39.2	178.7	-171	-178.2	-65.3	0	0	112.8	R426 V429 Q449 A450 A451 K457 S458 F459	R426-M453 WeakPolarHBondContact CA-SD 3.45Å; R426-M453 HydrophobicContact CB-CE 3.88Å; R426-M453 HydrophobicContact CB-SD 3.58Å; R426-M453 VanDerWaalsContact CB-SD 3.58Å; R426-M453 HydrophobicContact CG-CE 4.5Å; R426-M453 HydrophobicContact CG-SD 3.76Å; V429-M453 HydrophobicContact CB-SD 4.35Å; V429-M453 HydrophobicContact CG2-CB 4.33Å; V429-M453 HydrophobicContact CG2-SD 4.14Å; Q449-M453 WeakPolarHBondContact O-CB 3.32Å; Q449-M453 PolarHBondContact O-N 3.35Å; A450-M453 PolarHBondContact O-N 3.48Å; A451-M453 VanDerWaalsContact C-N 3.34Å; A451-M453 PolarHBondContact O-N 3.08Å; M453-K457 WeakPolarHBondContact O-CA 3.28Å; M453-K457 PolarHBondContact O-N 3.04Å; M453-S458 WeakPolarHBondContact CA-OG 3.3Å; M453-S458 VanDerWaalsContact CG-OG 3.26Å; M453-S458 WeakPolarHBondContact CG-OG 3.48Å; M453-S458 PolarHBondContact O-N 3.37Å; M453-S458 VanDerWaalsContact O-N 3.07Å; M453-S458 PolarHBondContact O-OG 3.18Å; M453-F459 HydrophobicContact CG-CB 4.18Å; M453-F459 HydrophobicContact SD-CB 4.1Å
454	A	96.1	Very high	94	Very high	15 Å²	15	62.8 Å²	62.8	12%	0.124	32%	0.323	C	S	.	.	H	α-helix	trans	-65.4	-42.9	175.5	0	0	0	0	0	111.9	V429 Y444 A450 A451 K452 K457	V429-A454 HydrophobicContact CG1-CB 4.08Å; Y444-A454 HydrophobicContact CD1-CB 4.49Å; Y444-A454 HydrophobicContact CD2-CB 4.37Å; Y444-A454 HydrophobicContact CE1-CB 3.99Å; Y444-A454 HydrophobicContact CE2-CB 3.84Å; A450-A454 WeakPolarHBondContact O-CB 3.36Å; A450-A454 PolarHBondContact O-N 3.34Å; A451-A454 PolarHBondContact O-N 3.2Å; K452-A454 VanDerWaalsContact C-N 3.33Å; K452-A454 PolarHBondContact O-N 2.86Å; A454-K457 PolarHBondContact O-N 3.01Å
455	Q	95.7	Very high	94.2	Very high	163 Å²	163	62.4 Å²	62.4	76%	0.762	32%	0.321	S	S	*	.	H	α-helix	trans	-63.5	-44.3	176.5	-72.1	173.6	0.6	0	0	112.3	A451 K452 K457	A451-Q455 WeakPolarHBondContact O-CG 3.3Å; A451-Q455 PolarHBondContact O-N 2.84Å; K452-Q455 PolarHBondContact O-N 3.41Å; Q455-K457 PolarHBondContact O-N 3.01Å
456	E	96.1	Very high	94.6	Very high	116 Å²	116	64.3 Å²	64.3	54%	0.542	33%	0.333	S	S	.	.	H	α-helix	trans	-76.5	-8.5	178.7	-68	173.7	170.5	0	0	113	K452 S458	K452-E456 WeakPolarHBondContact CE-OE1 3.37Å; K452-E456 HydrophobicContact CG-CG 4.41Å; K452-E456 IonicContact NZ-OE1 4Å; K452-E456 WeakPolarHBondContact O-CB 3.41Å; K452-E456 WeakPolarHBondContact O-CG 3.13Å; K452-E456 PolarHBondContact O-N 2.83Å; E456-S458 PolarHBondContact O-N 3.35Å
457	K	94.4	Very high	95.1	Very high	163 Å²	163	68.8 Å²	68.8	71%	0.709	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	31.2	-172.6	-59	-177.4	177.9	-177.7	0	113.3	M453 A454 Q455 F459	M453-K457 WeakPolarHBondContact O-CA 3.28Å; M453-K457 PolarHBondContact O-N 3.04Å; A454-K457 PolarHBondContact O-N 3.01Å; Q455-K457 PolarHBondContact O-N 3.01Å; K457-F459 HydrophobicContact CB-CE1 4.33Å; K457-F459 HydrophobicContact CG-CE1 4.46Å; K457-F459 PolarHBondContact O-N 3.38Å
458	S	95	Very high	95.6	Very high	62 Å²	62	68 Å²	68	43%	0.434	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	8.1	-177.9	50.1	0	0	0	0	113.6	M453 E456 G460	M453-S458 WeakPolarHBondContact CA-OG 3.3Å; M453-S458 VanDerWaalsContact CG-OG 3.26Å; M453-S458 WeakPolarHBondContact CG-OG 3.48Å; M453-S458 PolarHBondContact O-N 3.37Å; M453-S458 VanDerWaalsContact O-N 3.07Å; M453-S458 PolarHBondContact O-OG 3.18Å; E456-S458 PolarHBondContact O-N 3.35Å; S458-G460 VanDerWaalsContact C-N 3.28Å; S458-G460 PolarHBondContact O-N 2.82Å
459	F	95.1	Very high	96.1	Very high	15 Å²	15	66 Å²	66	7%	0.066	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	0	175.5	58.5	-96.3	0	0	0	114.4	R426 V429 R430 E433 M453 K457 I462	R426-F459 HydrophobicContact CG-CB 4.32Å; R426-F459 PolarHBondContact NE-O 3.47Å; V429-F459 HydrophobicContact CB-CB 4.1Å; V429-F459 HydrophobicContact CB-CG 4.49Å; V429-F459 HydrophobicContact CG1-CB 3.66Å; V429-F459 HydrophobicContact CG1-CD1 3.37Å; V429-F459 HydrophobicContact CG1-CD2 4.43Å; V429-F459 HydrophobicContact CG1-CE1 4.08Å; V429-F459 HydrophobicContact CG1-CG 3.57Å; R430-F459 WeakPolarHBondContact CD-O 3.36Å; R430-F459 HydrophobicContact CG-CB 4.06Å; R430-F459 HydrophobicContact CG-CD2 4.27Å; R430-F459 WeakPolarHBondContact CG-O 3.43Å; R430-F459 PolarHBondContact NH1-O 2.85Å; E433-F459 HydrophobicContact CB-CE2 4.45Å; E433-F459 HydrophobicContact CG-CE1 4.08Å; E433-F459 HydrophobicContact CG-CE2 4.1Å; E433-F459 HydrophobicContact CG-CZ 3.77Å; M453-F459 HydrophobicContact CG-CB 4.18Å; M453-F459 HydrophobicContact SD-CB 4.1Å; K457-F459 HydrophobicContact CB-CE1 4.33Å; K457-F459 HydrophobicContact CG-CE1 4.46Å; K457-F459 PolarHBondContact O-N 3.38Å; F459-I462 HydrophobicContact CD2-CG2 3.98Å; F459-I462 HydrophobicContact CE2-CD1 3.93Å; F459-I462 HydrophobicContact CE2-CG1 4.12Å; F459-I462 HydrophobicContact CE2-CG2 3.93Å
460	G	95.8	Very high	96.5	Very high	36 Å²	36	68.3 Å²	68.3	37%	0.371	35%	0.348	S	S	.	.			trans	82	176.9	179.6	0	0	0	0	0	113.5	S458	S458-G460 VanDerWaalsContact C-N 3.28Å; S458-G460 PolarHBondContact O-N 2.82Å
461	D	97	Very high	96.8	Very high	105 Å²	105	74 Å²	74	56%	0.561	37%	0.374	S	S	*	.			trans	-69.9	138.1	-179.2	-175.8	26.7	0	0	0	111.8	R430 S463	R430-D461 VanDerWaalsContact CZ-O 3.31Å; R430-D461 PolarHBondContact NH1-O 2.65Å; R430-D461 PolarHBondContact NH2-O 2.7Å; D461-S463 VanDerWaalsContact OD1-CB 3.3Å; D461-S463 WeakPolarHBondContact OD1-CB 3.36Å; D461-S463 PolarHBondContact OD1-N 3.49Å; D461-S463 PolarHBondContact OD1-OG 3.28Å
462	I	98.3	Very high	97	Very high	17 Å²	17	74.9 Å²	74.9	9%	0.087	38%	0.377	C	S	.	.			trans	-125	9.1	178.2	60.4	168.9	0	0	0	111.9	R430 E433 V434 F459 E464 R465 L466	R430-I462 HydrophobicContact CB-CG2 4.41Å; R430-I462 HydrophobicContact CG-CG2 4.32Å; E433-I462 HydrophobicContact CB-CD1 3.63Å; V434-I462 HydrophobicContact CG2-CB 4.01Å; V434-I462 HydrophobicContact CG2-CD1 4.04Å; V434-I462 HydrophobicContact CG2-CG2 4.31Å; F459-I462 HydrophobicContact CD2-CG2 3.98Å; F459-I462 HydrophobicContact CE2-CD1 3.93Å; F459-I462 HydrophobicContact CE2-CG1 4.12Å; F459-I462 HydrophobicContact CE2-CG2 3.93Å; I462-E464 VanDerWaalsContact C-N 3.32Å; I462-E464 PolarHBondContact O-N 3.15Å; I462-R465 WeakPolarHBondContact O-CB 3.28Å; I462-R465 PolarHBondContact O-N 3.41Å; I462-L466 HydrophobicContact CD1-CD1 3.92Å; I462-L466 HydrophobicContact CD1-CD2 4.45Å; I462-L466 HydrophobicContact CD1-CG 4.17Å; I462-L466 HydrophobicContact CG1-CD1 3.92Å; I462-L466 HydrophobicContact CG1-CG 4.25Å; I462-L466 PolarHBondContact O-N 2.86Å
463	S	98.3	Very high	97.2	Very high	67 Å²	67	77 Å²	77	47%	0.469	39%	0.388	S	S	.	.	H	α-helix	trans	-55.8	-43.7	-174.5	-60.3	0	0	0	0	112.5	D461 R465 L466 Q467	D461-S463 VanDerWaalsContact OD1-CB 3.3Å; D461-S463 WeakPolarHBondContact OD1-CB 3.36Å; D461-S463 PolarHBondContact OD1-N 3.49Å; D461-S463 PolarHBondContact OD1-OG 3.28Å; S463-R465 VanDerWaalsContact C-N 3.28Å; S463-R465 PolarHBondContact O-N 3.32Å; S463-L466 PolarHBondContact O-N 2.99Å; S463-Q467 WeakPolarHBondContact O-CB 3.49Å; S463-Q467 PolarHBondContact O-N 3.2Å
464	E	98.2	Very high	97.4	Very high	126 Å²	126	77 Å²	77	59%	0.589	39%	0.39	S	S	*	.	H	α-helix	trans	-60.6	-36.6	176.3	-65.5	-176.6	171.7	0	0	112.6	I462 L468	I462-E464 VanDerWaalsContact C-N 3.32Å; I462-E464 PolarHBondContact O-N 3.15Å; E464-L468 WeakPolarHBondContact O-CB 3.45Å; E464-L468 PolarHBondContact O-N 2.75Å
465	R	98.6	Very high	97.5	Very high	17 Å²	17	80.1 Å²	80.1	6%	0.064	40%	0.402	C	S	.	.	H	α-helix	trans	-75	-37.5	-179.3	-59	-65	161.7	-168.2	-11.4	112	G370 Y372 D373 N374 V434 I462 S463 R469	G370-R465 PolarHBondContact O-NH1 3.14Å; Y372-R465 VanDerWaalsContact O-CZ 3.24Å; Y372-R465 PolarHBondContact O-NH1 2.56Å; Y372-R465 PolarHBondContact O-NH2 2.96Å; D373-R465 VanDerWaalsContact CA-NH2 3.34Å; D373-R465 IonicContact OD1-CZ 3.23Å; D373-R465 IonicContact OD1-NE 3.29Å; D373-R465 PolarHBondContact OD1-NE 3.26Å; D373-R465 IonicContact OD1-NH2 3.52Å; N374-R465 PolarHBondContact OD1-NH2 3.24Å; V434-R465 HydrophobicContact CG1-CB 3.99Å; V434-R465 HydrophobicContact CG2-CB 3.7Å; I462-R465 WeakPolarHBondContact O-CB 3.28Å; I462-R465 PolarHBondContact O-N 3.41Å; S463-R465 VanDerWaalsContact C-N 3.28Å; S463-R465 PolarHBondContact O-N 3.32Å; R465-R469 PolarHBondContact O-N 3.18Å; R465-R469 VanDerWaalsContact O-N 3.07Å
466	L	98.5	Very high	97.7	Very high	65 Å²	65	74.7 Å²	74.7	34%	0.34	38%	0.382	S	S	.	.	H	α-helix	trans	-65.2	-45.2	172.3	-66.8	172.7	0	0	0	110.9	V434 I462 S463 L468 R469 E470	V434-L466 HydrophobicContact CG1-CD2 4.49Å; V434-L466 HydrophobicContact CG2-CD2 4.41Å; I462-L466 HydrophobicContact CD1-CD1 3.92Å; I462-L466 HydrophobicContact CD1-CD2 4.45Å; I462-L466 HydrophobicContact CD1-CG 4.17Å; I462-L466 HydrophobicContact CG1-CD1 3.92Å; I462-L466 HydrophobicContact CG1-CG 4.25Å; I462-L466 PolarHBondContact O-N 2.86Å; S463-L466 PolarHBondContact O-N 2.99Å; L466-L468 VanDerWaalsContact C-N 3.35Å; L466-L468 PolarHBondContact O-N 3.14Å; L466-R469 WeakPolarHBondContact O-CB 3.39Å; L466-R469 PolarHBondContact O-N 2.74Å; L466-E470 WeakPolarHBondContact O-CG 2.97Å; L466-E470 PolarHBondContact O-N 3.25Å
467	Q	98.6	Very high	97.8	Very high	108 Å²	108	69.2 Å²	69.2	51%	0.505	36%	0.356	S	S	.	.	H	α-helix	trans	-61.2	-43	176.8	-173.1	179.8	16.1	0	0	111.8	S463 R469 E470 Q471	S463-Q467 WeakPolarHBondContact O-CB 3.49Å; S463-Q467 PolarHBondContact O-N 3.2Å; Q467-R469 VanDerWaalsContact C-N 3.34Å; Q467-R469 PolarHBondContact O-N 3.39Å; Q467-E470 PolarHBondContact O-N 3.24Å; Q467-Q471 HydrophobicContact CG-CG 4.3Å; Q467-Q471 WeakPolarHBondContact O-CB 3.34Å; Q467-Q471 VanDerWaalsContact O-CG 3.25Å; Q467-Q471 WeakPolarHBondContact O-CG 3.32Å; Q467-Q471 PolarHBondContact O-N 3.34Å
468	L	98.6	Very high	98	Very high	21 Å²	21	63.2 Å²	63.2	11%	0.11	34%	0.335	C	S	.	.	H	α-helix	trans	-57.2	-47.1	173.9	176.4	71.4	0	0	0	111.6	E464 L466 E470 Q471 L472	E464-L468 WeakPolarHBondContact O-CB 3.45Å; E464-L468 PolarHBondContact O-N 2.75Å; L466-L468 VanDerWaalsContact C-N 3.35Å; L466-L468 PolarHBondContact O-N 3.14Å; L468-E470 VanDerWaalsContact C-N 3.29Å; L468-E470 PolarHBondContact O-N 3.16Å; L468-Q471 PolarHBondContact O-N 2.86Å; L468-L472 HydrophobicContact CD1-CD1 3.71Å; L468-L472 HydrophobicContact CD1-CG 4.12Å; L468-L472 HydrophobicContact CG-CD1 4.03Å; L468-L472 WeakPolarHBondContact O-CG 3.36Å; L468-L472 PolarHBondContact O-N 2.99Å
469	R	98.6	Very high	98.1	Very high	38 Å²	38	63.8 Å²	63.8	14%	0.143	33%	0.327	C	S	.	.	H	α-helix	trans	-59	-41.2	178.7	-176.4	177.4	-178.1	-159.8	-4	111.7	V434 W435 D437 R465 L466 Q467 H473 C474 H475	V434-R469 VanDerWaalsContact O-CD 3.26Å; V434-R469 WeakPolarHBondContact O-CD 3.22Å; V434-R469 PolarHBondContact O-NH1 2.9Å; W435-R469 HydrophobicContact CE3-CG 4.29Å; W435-R469 HydrophobicContact CH2-CB 3.95Å; W435-R469 HydrophobicContact CH2-CG 4.07Å; W435-R469 HydrophobicContact CZ3-CB 4.1Å; W435-R469 HydrophobicContact CZ3-CG 3.68Å; D437-R469 IonicContact OD1-CZ 3.95Å; D437-R469 VanDerWaalsContact OD1-CZ 3.23Å; D437-R469 IonicContact OD1-NH1 3.79Å; D437-R469 PolarHBondContact OD1-NH1 3.16Å; D437-R469 IonicContact OD1-NH2 3.16Å; D437-R469 PolarHBondContact OD1-NH2 3.19Å; D437-R469 IonicContact OD2-NH2 2.72Å; D437-R469 PolarHBondContact OD2-NH2 3.06Å; R465-R469 PolarHBondContact O-N 3.18Å; R465-R469 VanDerWaalsContact O-N 3.07Å; L466-R469 WeakPolarHBondContact O-CB 3.39Å; L466-R469 PolarHBondContact O-N 2.74Å; Q467-R469 VanDerWaalsContact C-N 3.34Å; Q467-R469 PolarHBondContact O-N 3.39Å; R469-H473 PolarHBondContact O-N 3.02Å; R469-C474 HydrophobicContact CG-CB 3.94Å; R469-C474 PolarHBondContact O-N 3.32Å; R469-C474 VanDerWaalsContact O-N 3.16Å; R469-C474 PolarHBondContact O-SG 3.3Å; R469-C474 VanDerWaalsContact O-SG 3.41Å; R469-H475 PolarHBondContact NH2-O 2.88Å
470	E	98.4	Very high	98.3	Very high	143 Å²	143	63.1 Å²	63.1	67%	0.668	32%	0.324	S	S	*	.	H	α-helix	trans	-68.1	-46.5	176.5	-70.8	178.1	-178.4	0	0	112.3	L466 Q467 L468 L472 H473	L466-E470 WeakPolarHBondContact O-CG 2.97Å; L466-E470 PolarHBondContact O-N 3.25Å; Q467-E470 PolarHBondContact O-N 3.24Å; L468-E470 VanDerWaalsContact C-N 3.29Å; L468-E470 PolarHBondContact O-N 3.16Å; E470-L472 VanDerWaalsContact C-N 3.34Å; E470-L472 PolarHBondContact O-N 3.02Å; E470-H473 PolarHBondContact O-N 3.27Å; E470-H473 VanDerWaalsContact O-N 3.08Å; E470-H473 PolarHBondContact O-ND1 3.01Å
471	Q	98.4	Very high	98.4	Very high	119 Å²	119	61.8 Å²	61.8	56%	0.556	31%	0.309	S	S	*	.	H	α-helix	trans	-61.9	-38.6	-178.6	-77.4	174.8	-11.3	0	0	113	Q467 L468 H473	Q467-Q471 HydrophobicContact CG-CG 4.3Å; Q467-Q471 WeakPolarHBondContact O-CB 3.34Å; Q467-Q471 VanDerWaalsContact O-CG 3.25Å; Q467-Q471 WeakPolarHBondContact O-CG 3.32Å; Q467-Q471 PolarHBondContact O-N 3.34Å; L468-Q471 PolarHBondContact O-N 2.86Å; Q471-H473 PolarHBondContact O-N 3.02Å
472	L	98.4	Very high	98.4	Very high	35 Å²	35	62.2 Å²	62.2	18%	0.183	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	1.4	178.1	-66	178.9	0	0	0	113	C393 L468 E470 C474	C393-L472 HydrophobicContact CB-CB 4.35Å; C393-L472 HydrophobicContact CB-CD1 4.27Å; L468-L472 HydrophobicContact CD1-CD1 3.71Å; L468-L472 HydrophobicContact CD1-CG 4.12Å; L468-L472 HydrophobicContact CG-CD1 4.03Å; L468-L472 WeakPolarHBondContact O-CG 3.36Å; L468-L472 PolarHBondContact O-N 2.99Å; E470-L472 VanDerWaalsContact C-N 3.34Å; E470-L472 PolarHBondContact O-N 3.02Å; L472-C474 VanDerWaalsContact CB-SG 3.52Å; L472-C474 PolarHBondContact O-N 3.37Å
473	H	98.4	Very high	98.3	Very high	165 Å²	165	66.2 Å²	66.2	76%	0.764	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	41.7	-177.7	-59.4	-59.3	0	0	0	112.9	R469 E470 Q471	R469-H473 PolarHBondContact O-N 3.02Å; E470-H473 PolarHBondContact O-N 3.27Å; E470-H473 VanDerWaalsContact O-N 3.08Å; E470-H473 PolarHBondContact O-ND1 3.01Å; Q471-H473 PolarHBondContact O-N 3.02Å
474	C	98.7	Very high	98.3	Very high	20 Å²	20	63.8 Å²	63.8	14%	0.135	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-66	144.7	-174.5	-48.1	0	0	0	0	111.4	Q392 C393 W435 R469 L472	Q392-C474 HydrophobicContact CB-CB 4.17Å; Q392-C474 CarbonylContact O-C 3.15Å; Q392-C474 VanDerWaalsContact O-CA 3.26Å; Q392-C474 WeakPolarHBondContact O-CA 3.48Å; C393-C474 HydrophobicContact CB-CB 4.02Å; C393-C474 WeakPolarHBondContact CB-SG 3.41Å; C393-C474 WeakPolarHBondContact SG-CB 3.45Å; C393-C474 CovalentContact SG-SG 2.04Å; C393-C474 PolarHBondContact SG-SG 3.08Å; W435-C474 HydrophobicContact CZ3-CB 4.12Å; R469-C474 HydrophobicContact CG-CB 3.94Å; R469-C474 PolarHBondContact O-N 3.32Å; R469-C474 VanDerWaalsContact O-N 3.16Å; R469-C474 PolarHBondContact O-SG 3.3Å; R469-C474 VanDerWaalsContact O-SG 3.41Å; L472-C474 VanDerWaalsContact CB-SG 3.52Å; L472-C474 PolarHBondContact O-N 3.37Å
475	H	98.8	Very high	98.2	Very high	82 Å²	82	58.2 Å²	58.2	38%	0.38	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-62.6	167	174.5	-63.9	-59.4	0	0	0	112.7	Q392 R469 W479	Q392-H475 PolarHBondContact O-CD2 2.98Å; Q392-H475 PolarHBondContact O-N 3.08Å; Q392-H475 PolarHBondContact OE1-O 3.41Å; R469-H475 PolarHBondContact NH2-O 2.88Å; H475-W479 HydrophobicContact CB-CB 3.9Å; H475-W479 HydrophobicContact CB-CD2 3.54Å; H475-W479 HydrophobicContact CB-CE3 3.54Å; H475-W479 HydrophobicContact CB-CG 3.69Å; H475-W479 HydrophobicContact CB-CZ3 4.3Å; H475-W479 AromaticContact CD2-CD2 3.76Å; H475-W479 AromaticContact CD2-CE2 3.61Å; H475-W479 AromaticContact CD2-CE3 3.91Å; H475-W479 AromaticContact CD2-CH2 3.86Å; H475-W479 AromaticContact CD2-CZ2 3.68Å; H475-W479 AromaticContact CD2-CZ3 3.96Å; H475-W479 AromaticContact CG-CD2 3.61Å; H475-W479 AromaticContact CG-CE2 3.83Å; H475-W479 AromaticContact CG-CE3 3.91Å; H475-W479 AromaticContact CG-CG 3.88Å; H475-W479 AromaticContact NE2-CE2 4Å
476	S	98.7	Very high	98	Very high	49 Å²	49	60.5 Å²	60.5	34%	0.343	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-78.5	162.9	175.8	67	0	0	0	0	112.2	Q392 D437 S478 W479 Y480	Q392-S476 PolarHBondContact OE1-O 2.7Å; D437-S476 WeakPolarHBondContact OD2-CA 3.19Å; D437-S476 WeakPolarHBondContact OD2-CB 3.44Å; S476-S478 PolarHBondContact O-N 3.19Å; S476-W479 WeakPolarHBondContact O-CB 3.47Å; S476-W479 PolarHBondContact O-N 3.09Å; S476-W479 VanDerWaalsContact O-N 3.08Å; S476-W479 PolarHBondContact OG-N 2.86Å; S476-W479 VanDerWaalsContact OG-N 3.15Å; S476-Y480 PolarHBondContact O-N 2.9Å; S476-Y480 VanDerWaalsContact O-N 3.07Å
477	F	98.6	Very high	97.7	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-65.8	-28.4	172.7	-161.1	-111	0	0	0	111.8	F323 W325 F388 Q392 W435 M436 D437 Y439 Y480 L481	F323-F477 HydrophobicContact CE2-CZ 4.3Å; F323-F477 AromaticContact CZ-CZ 3.82Å; F323-F477 HydrophobicContact CZ-CZ 3.82Å; W325-F477 HydrophobicContact CH2-CE1 4.24Å; W325-F477 HydrophobicContact CZ3-CE1 4.3Å; F388-F477 AromaticContact CD1-CE2 3.99Å; F388-F477 HydrophobicContact CD1-CE2 3.99Å; F388-F477 HydrophobicContact CD2-CD2 4.48Å; F388-F477 AromaticContact CD2-CE2 3.76Å; F388-F477 HydrophobicContact CD2-CE2 3.76Å; F388-F477 AromaticContact CE1-CE2 3.84Å; F388-F477 HydrophobicContact CE1-CE2 3.84Å; F388-F477 HydrophobicContact CE1-CZ 4.23Å; F388-F477 AromaticContact CE2-CE2 3.59Å; F388-F477 HydrophobicContact CE2-CE2 3.59Å; F388-F477 AromaticContact CE2-CZ 3.98Å; F388-F477 HydrophobicContact CE2-CZ 3.98Å; F388-F477 AromaticContact CG-CE2 3.96Å; F388-F477 HydrophobicContact CG-CE2 3.96Å; F388-F477 AromaticContact CZ-CE2 3.64Å; F388-F477 HydrophobicContact CZ-CE2 3.64Å; F388-F477 AromaticContact CZ-CZ 3.79Å; F388-F477 HydrophobicContact CZ-CZ 3.79Å; Q392-F477 VanDerWaalsContact OE1-N 3.14Å; W435-F477 WeakPolarHBondContact O-CB 3.47Å; W435-F477 WeakPolarHBondContact O-CD2 3.14Å; M436-F477 HydrophobicContact CB-CD1 4.43Å; M436-F477 HydrophobicContact CB-CG 4.39Å; M436-F477 HydrophobicContact CE-CE1 4.31Å; M436-F477 HydrophobicContact CE-CZ 4.37Å; M436-F477 HydrophobicContact CG-CD2 4.3Å; M436-F477 HydrophobicContact CG-CE1 4.4Å; M436-F477 HydrophobicContact CG-CE2 4.08Å; M436-F477 HydrophobicContact CG-CZ 4.12Å; D437-F477 HydrophobicContact CB-CB 4.43Å; D437-F477 PolarHBondContact OD2-N 3.37Å; Y439-F477 HydrophobicContact CD2-CB 4.16Å; Y439-F477 AromaticContact CD2-CD1 3.6Å; Y439-F477 HydrophobicContact CD2-CD1 3.6Å; Y439-F477 HydrophobicContact CD2-CG 4.36Å; Y439-F477 HydrophobicContact CE2-CD1 4.32Å; Y439-F477 AromaticContact CG-CD1 3.7Å; Y439-F477 HydrophobicContact CG-CD1 3.7Å; Y439-F477 HydrophobicContact CG-CE1 4.24Å; F477-Y480 HydrophobicContact CD2-CD1 4.04Å; F477-Y480 HydrophobicContact CD2-CG 4.44Å; F477-Y480 AromaticContact CE2-CD1 3.66Å; F477-Y480 HydrophobicContact CE2-CD1 3.66Å; F477-Y480 HydrophobicContact CE2-CE1 4.02Å; F477-Y480 HydrophobicContact CE2-CG 4.4Å; F477-Y480 HydrophobicContact CZ-CD1 4.1Å; F477-Y480 HydrophobicContact CZ-CE1 4.29Å; F477-Y480 WeakPolarHBondContact O-CB 3.28Å; F477-Y480 PolarHBondContact O-N 2.82Å; F477-L481 HydrophobicContact CD1-CD1 3.85Å; F477-L481 HydrophobicContact CD1-CG 4.1Å; F477-L481 HydrophobicContact CE1-CD1 3.81Å; F477-L481 HydrophobicContact CE1-CD2 4.08Å; F477-L481 HydrophobicContact CE1-CG 3.94Å; F477-L481 HydrophobicContact CZ-CD2 4.38Å; F477-L481 WeakPolarHBondContact O-CG 3.21Å; F477-L481 PolarHBondContact O-N 2.57Å
478	S	98.3	Very high	97.3	Very high	37 Å²	37	57.2 Å²	57.2	26%	0.259	29%	0.285	S	S	.	.	H	α-helix	trans	-61.5	-46	171	-163.6	0	0	0	0	110.7	Y439 S476 Y480 L481 H482	Y439-S478 PolarHBondContact OH-OG 3.02Å; S476-S478 PolarHBondContact O-N 3.19Å; S478-Y480 VanDerWaalsContact C-N 3.29Å; S478-Y480 PolarHBondContact O-N 2.57Å; S478-L481 PolarHBondContact O-N 2.72Å; S478-H482 PolarHBondContact O-N 3.3Å; S478-H482 PolarHBondContact O-ND1 3.38Å; S478-H482 PolarHBondContact OG-CE1 3.08Å; S478-H482 PolarHBondContact OG-ND1 2.95Å
479	W	98.6	Very high	96.8	Very high	75 Å²	75	57.5 Å²	57.5	28%	0.284	29%	0.285	S	S	.	.	H	α-helix	trans	-59	-42	174.6	175.8	98.4	0	0	0	111.5	W391 H475 S476 H482 N483 V484	W391-W479 WeakPolarHBondContact O-CZ3 2.99Å; H475-W479 HydrophobicContact CB-CB 3.9Å; H475-W479 HydrophobicContact CB-CD2 3.54Å; H475-W479 HydrophobicContact CB-CE3 3.54Å; H475-W479 HydrophobicContact CB-CG 3.69Å; H475-W479 HydrophobicContact CB-CZ3 4.3Å; H475-W479 AromaticContact CD2-CD2 3.76Å; H475-W479 AromaticContact CD2-CE2 3.61Å; H475-W479 AromaticContact CD2-CE3 3.91Å; H475-W479 AromaticContact CD2-CH2 3.86Å; H475-W479 AromaticContact CD2-CZ2 3.68Å; H475-W479 AromaticContact CD2-CZ3 3.96Å; H475-W479 AromaticContact CG-CD2 3.61Å; H475-W479 AromaticContact CG-CE2 3.83Å; H475-W479 AromaticContact CG-CE3 3.91Å; H475-W479 AromaticContact CG-CG 3.88Å; H475-W479 AromaticContact NE2-CE2 4Å; S476-W479 WeakPolarHBondContact O-CB 3.47Å; S476-W479 PolarHBondContact O-N 3.09Å; S476-W479 VanDerWaalsContact O-N 3.08Å; S476-W479 PolarHBondContact OG-N 2.86Å; S476-W479 VanDerWaalsContact OG-N 3.15Å; W479-H482 PolarHBondContact O-N 2.97Å; W479-N483 HydrophobicContact CD2-CB 4.29Å; W479-N483 HydrophobicContact CZ2-CB 4.09Å; W479-N483 PolarHBondContact NE1-ND2 3.24Å; W479-N483 WeakPolarHBondContact O-CB 3.31Å; W479-N483 PolarHBondContact O-N 3.21Å; W479-N483 PolarHBondContact O-ND2 3.25Å; W479-V484 HydrophobicContact CH2-CG2 4.18Å; W479-V484 HydrophobicContact CZ3-CG2 3.87Å
480	Y	98.8	Very high	96.5	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-58.9	-49.8	177.2	170.8	-92.9	0	0	0	111.9	F323 P352 F388 W391 S476 F477 S478 H482 N483 V484 Y485	F323-Y480 AromaticContact CE1-CE1 3.88Å; F323-Y480 HydrophobicContact CE1-CE1 3.88Å; F323-Y480 HydrophobicContact CZ-CE1 4.36Å; P352-Y480 PolarHBondContact O-OH 3.35Å; F388-Y480 AromaticContact CD1-CE1 3.98Å; F388-Y480 HydrophobicContact CD1-CE1 3.98Å; F388-Y480 HydrophobicContact CD1-CE2 4.11Å; F388-Y480 AromaticContact CD1-CZ 3.71Å; F388-Y480 AromaticContact CE1-CE1 3.79Å; F388-Y480 HydrophobicContact CE1-CE1 3.79Å; F388-Y480 AromaticContact CE1-CZ 3.77Å; W391-Y480 HydrophobicContact CB-CD2 3.72Å; W391-Y480 HydrophobicContact CB-CE2 3.9Å; W391-Y480 AromaticContact CD1-CE2 3.77Å; W391-Y480 HydrophobicContact CG-CD2 4.24Å; W391-Y480 AromaticContact CG-CE2 3.99Å; W391-Y480 HydrophobicContact CG-CE2 3.99Å; S476-Y480 PolarHBondContact O-N 2.9Å; S476-Y480 VanDerWaalsContact O-N 3.07Å; F477-Y480 HydrophobicContact CD2-CD1 4.04Å; F477-Y480 HydrophobicContact CD2-CG 4.44Å; F477-Y480 AromaticContact CE2-CD1 3.66Å; F477-Y480 HydrophobicContact CE2-CD1 3.66Å; F477-Y480 HydrophobicContact CE2-CE1 4.02Å; F477-Y480 HydrophobicContact CE2-CG 4.4Å; F477-Y480 HydrophobicContact CZ-CD1 4.1Å; F477-Y480 HydrophobicContact CZ-CE1 4.29Å; F477-Y480 WeakPolarHBondContact O-CB 3.28Å; F477-Y480 PolarHBondContact O-N 2.82Å; S478-Y480 VanDerWaalsContact C-N 3.29Å; S478-Y480 PolarHBondContact O-N 2.57Å; Y480-H482 VanDerWaalsContact C-N 3.3Å; Y480-H482 PolarHBondContact O-N 3.36Å; Y480-N483 PolarHBondContact O-N 3.46Å; Y480-V484 HydrophobicContact CD2-CB 3.83Å; Y480-V484 HydrophobicContact CD2-CG1 4.11Å; Y480-V484 HydrophobicContact CD2-CG2 3.92Å; Y480-V484 HydrophobicContact CE2-CB 3.93Å; Y480-V484 HydrophobicContact CE2-CG1 3.7Å; Y480-V484 HydrophobicContact CE2-CG2 4.37Å; Y480-V484 HydrophobicContact CG-CB 4.43Å; Y480-V484 WeakPolarHBondContact O-CA 3.24Å; Y480-V484 VanDerWaalsContact O-CB 3.27Å; Y480-V484 WeakPolarHBondContact O-CB 3.17Å; Y480-V484 PolarHBondContact O-N 3.02Å; Y480-Y485 PolarHBondContact O-N 3.44Å; Y480-Y485 VanDerWaalsContact O-N 3.17Å
481	L	97.4	Very high	96.1	Very high	8 Å²	8	51.4 Å²	51.4	4%	0.042	26%	0.262	C	S	.	.	H	α-helix	trans	-62.8	-35.1	177.7	-67.1	172.4	0	0	0	112.4	F323 W325 Y439 F477 S478 Y485 P486 M488 V490	F323-L481 HydrophobicContact CZ-CD2 4.45Å; W325-L481 HydrophobicContact CH2-CD1 4.19Å; W325-L481 HydrophobicContact CH2-CD2 4.47Å; Y439-L481 HydrophobicContact CD1-CD1 3.8Å; Y439-L481 HydrophobicContact CE1-CD1 3.6Å; Y439-L481 HydrophobicContact CE2-CD1 4.36Å; Y439-L481 HydrophobicContact CG-CD1 4.28Å; F477-L481 HydrophobicContact CD1-CD1 3.85Å; F477-L481 HydrophobicContact CD1-CG 4.1Å; F477-L481 HydrophobicContact CE1-CD1 3.81Å; F477-L481 HydrophobicContact CE1-CD2 4.08Å; F477-L481 HydrophobicContact CE1-CG 3.94Å; F477-L481 HydrophobicContact CZ-CD2 4.38Å; F477-L481 WeakPolarHBondContact O-CG 3.21Å; F477-L481 PolarHBondContact O-N 2.57Å; S478-L481 PolarHBondContact O-N 2.72Å; L481-Y485 CarbonylContact O-C 3.59Å; L481-Y485 VanDerWaalsContact O-O 3.11Å; L481-P486 WeakPolarHBondContact O-CA 3.23Å; L481-P486 VanDerWaalsContact O-N 3.12Å; L481-M488 HydrophobicContact CD2-CB 4.46Å; L481-M488 HydrophobicContact CD2-CG 4.29Å; L481-V490 HydrophobicContact CD1-CG1 4.4Å; L481-V490 HydrophobicContact CD1-CG2 4.02Å; L481-V490 HydrophobicContact CD2-CG2 4.48Å
482	H	96.5	Very high	95.6	Very high	115 Å²	115	47.7 Å²	47.7	53%	0.532	25%	0.246	S	C	.	.	H	α-helix	trans	-78	-36	-179.5	-73.1	95.1	0	0	0	114	S478 W479 Y480	S478-H482 PolarHBondContact O-N 3.3Å; S478-H482 PolarHBondContact O-ND1 3.38Å; S478-H482 PolarHBondContact OG-CE1 3.08Å; S478-H482 PolarHBondContact OG-ND1 2.95Å; W479-H482 PolarHBondContact O-N 2.97Å; Y480-H482 VanDerWaalsContact C-N 3.3Å; Y480-H482 PolarHBondContact O-N 3.36Å
483	N	97.4	Very high	95.2	Very high	101 Å²	101	48.8 Å²	48.8	54%	0.54	25%	0.252	S	S	.	.	H	α-helix	trans	-105.7	-29.8	-169.6	-65.4	-86.6	0	0	0	113.5	W479 Y480	W479-N483 HydrophobicContact CD2-CB 4.29Å; W479-N483 HydrophobicContact CZ2-CB 4.09Å; W479-N483 PolarHBondContact NE1-ND2 3.24Å; W479-N483 WeakPolarHBondContact O-CB 3.31Å; W479-N483 PolarHBondContact O-N 3.21Å; W479-N483 PolarHBondContact O-ND2 3.25Å; Y480-N483 PolarHBondContact O-N 3.46Å
484	V	97.8	Very high	94.7	Very high	15 Å²	15	46.2 Å²	46.2	9%	0.091	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-42.7	-175.5	-177.5	0	0	0	0	111.2	P352 W391 W479 Y480 P486	P352-V484 HydrophobicContact CB-CG1 4.48Å; W391-V484 HydrophobicContact CB-CG2 4.08Å; W391-V484 HydrophobicContact CD2-CB 4.3Å; W391-V484 HydrophobicContact CD2-CG1 3.57Å; W391-V484 HydrophobicContact CD2-CG2 3.71Å; W391-V484 VanDerWaalsContact CE2-CG1 3.49Å; W391-V484 HydrophobicContact CE3-CG1 4.15Å; W391-V484 HydrophobicContact CE3-CG2 3.61Å; W391-V484 HydrophobicContact CG-CB 4.46Å; W391-V484 HydrophobicContact CG-CG1 3.76Å; W391-V484 HydrophobicContact CG-CG2 3.95Å; W391-V484 HydrophobicContact CZ2-CG1 4.05Å; W391-V484 HydrophobicContact CZ3-CG2 4.29Å; W479-V484 HydrophobicContact CH2-CG2 4.18Å; W479-V484 HydrophobicContact CZ3-CG2 3.87Å; Y480-V484 HydrophobicContact CD2-CB 3.83Å; Y480-V484 HydrophobicContact CD2-CG1 4.11Å; Y480-V484 HydrophobicContact CD2-CG2 3.92Å; Y480-V484 HydrophobicContact CE2-CB 3.93Å; Y480-V484 HydrophobicContact CE2-CG1 3.7Å; Y480-V484 HydrophobicContact CE2-CG2 4.37Å; Y480-V484 HydrophobicContact CG-CB 4.43Å; Y480-V484 WeakPolarHBondContact O-CA 3.24Å; Y480-V484 VanDerWaalsContact O-CB 3.27Å; Y480-V484 WeakPolarHBondContact O-CB 3.17Å; Y480-V484 PolarHBondContact O-N 3.02Å; V484-P486 VanDerWaalsContact C-CD 3.46Å
485	Y	96.8	Very high	94.3	Very high	10 Å²	10	45.9 Å²	45.9	4%	0.039	25%	0.245	C	C	.	.			trans	-132.5	59.7	-176.3	-162.2	-169.7	0	0	0	114.4	N322 F323 E332 P352 Y480 L481 E487 M488	N322-Y485 HydrophobicContact CB-CE1 3.99Å; N322-Y485 VanDerWaalsContact CB-OH 3.28Å; N322-Y485 WeakPolarHBondContact CB-OH 3.34Å; F323-Y485 HydrophobicContact CD1-CD1 4.34Å; F323-Y485 HydrophobicContact CD1-CE1 4.28Å; F323-Y485 AromaticContact CE1-CD1 3.85Å; F323-Y485 HydrophobicContact CE1-CD1 3.85Å; F323-Y485 HydrophobicContact CE1-CE1 4.13Å; E332-Y485 VanDerWaalsContact CD-OH 3.29Å; E332-Y485 WeakPolarHBondContact OE1-CE2 3.38Å; E332-Y485 PolarHBondContact OE2-OH 3.5Å; P352-Y485 HydrophobicContact CB-CD1 3.79Å; P352-Y485 HydrophobicContact CB-CD2 4.42Å; P352-Y485 HydrophobicContact CB-CE1 4.38Å; P352-Y485 HydrophobicContact CB-CG 3.82Å; P352-Y485 HydrophobicContact CG-CD1 4.07Å; P352-Y485 HydrophobicContact CG-CD2 3.79Å; P352-Y485 HydrophobicContact CG-CE2 4.3Å; P352-Y485 HydrophobicContact CG-CG 3.68Å; Y480-Y485 PolarHBondContact O-N 3.44Å; Y480-Y485 VanDerWaalsContact O-N 3.17Å; L481-Y485 CarbonylContact O-C 3.59Å; L481-Y485 VanDerWaalsContact O-O 3.11Å; Y485-E487 HydrophobicContact CD2-CB 4.35Å; Y485-E487 HydrophobicContact CE2-CB 4.17Å; Y485-E487 PolarHBondContact O-N 2.99Å; Y485-M488 HydrophobicContact CD1-CB 3.7Å; Y485-M488 HydrophobicContact CD1-CE 4.07Å; Y485-M488 HydrophobicContact CD1-CG 4.4Å; Y485-M488 HydrophobicContact CD2-CB 4.07Å; Y485-M488 HydrophobicContact CE1-CB 3.76Å; Y485-M488 HydrophobicContact CE1-CE 3.36Å; Y485-M488 HydrophobicContact CE1-CG 4.28Å; Y485-M488 HydrophobicContact CE1-SD 4.26Å; Y485-M488 HydrophobicContact CE2-CB 4.11Å; Y485-M488 HydrophobicContact CG-CB 3.85Å; Y485-M488 WeakPolarHBondContact O-CB 3.07Å; Y485-M488 PolarHBondContact O-N 2.92Å; Y485-M488 VanDerWaalsContact O-N 3.17Å
486	P	93.6	Very high	94	Very high	64 Å²	64	45.3 Å²	45.3	42%	0.416	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-16.1	-177.5	28.5	-35	0	0	0	114	L481 V484 M488	L481-P486 WeakPolarHBondContact O-CA 3.23Å; L481-P486 VanDerWaalsContact O-N 3.12Å; V484-P486 VanDerWaalsContact C-CD 3.46Å; P486-M488 VanDerWaalsContact C-N 3.33Å
487	E	91.3	Very high	93.7	Very high	80 Å²	80	47.6 Å²	47.6	37%	0.374	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-15.2	175.3	-62.4	77.2	-153.7	0	0	113.6	R320 P335 H337 Y485 F489	R320-E487 IonicContact CZ-OE2 2.85Å; R320-E487 IonicContact NH1-OE2 2.82Å; R320-E487 IonicContact NH2-OE2 3.61Å; R320-E487 PolarHBondContact NH2-OE2 3.21Å; P335-E487 HydrophobicContact CB-CG 4.14Å; H337-E487 IonicContact CE1-OE1 3.36Å; H337-E487 PolarHBondContact CE1-OE1 3.38Å; H337-E487 IonicContact ND1-OE1 3.36Å; H337-E487 PolarHBondContact ND1-OE1 2.57Å; Y485-E487 HydrophobicContact CD2-CB 4.35Å; Y485-E487 HydrophobicContact CE2-CB 4.17Å; Y485-E487 PolarHBondContact O-N 2.99Å; E487-F489 PolarHBondContact O-N 2.95Å
488	M	90.4	Very high	93.5	Very high	24 Å²	24	53.5 Å²	53.5	12%	0.118	28%	0.275	C	S	.	.	S	Bend	trans	-63.3	125.1	178.9	173.3	59	91.9	0	0	110.2	F323 W325 L481 Y485 P486 V490	F323-M488 HydrophobicContact CD1-CE 4.23Å; F323-M488 HydrophobicContact CD2-CE 4.32Å; F323-M488 HydrophobicContact CE1-CE 3.98Å; F323-M488 HydrophobicContact CE2-CE 4.07Å; F323-M488 HydrophobicContact CG-CE 4.38Å; F323-M488 HydrophobicContact CZ-CE 3.88Å; F323-M488 WeakPolarHBondContact O-CE 2.88Å; W325-M488 HydrophobicContact CZ2-CG 3.99Å; W325-M488 HydrophobicContact CZ2-SD 4.48Å; L481-M488 HydrophobicContact CD2-CB 4.46Å; L481-M488 HydrophobicContact CD2-CG 4.29Å; Y485-M488 HydrophobicContact CD1-CB 3.7Å; Y485-M488 HydrophobicContact CD1-CE 4.07Å; Y485-M488 HydrophobicContact CD1-CG 4.4Å; Y485-M488 HydrophobicContact CD2-CB 4.07Å; Y485-M488 HydrophobicContact CE1-CB 3.76Å; Y485-M488 HydrophobicContact CE1-CE 3.36Å; Y485-M488 HydrophobicContact CE1-CG 4.28Å; Y485-M488 HydrophobicContact CE1-SD 4.26Å; Y485-M488 HydrophobicContact CE2-CB 4.11Å; Y485-M488 HydrophobicContact CG-CB 3.85Å; Y485-M488 WeakPolarHBondContact O-CB 3.07Å; Y485-M488 PolarHBondContact O-N 2.92Å; Y485-M488 VanDerWaalsContact O-N 3.17Å; P486-M488 VanDerWaalsContact C-N 3.33Å; M488-V490 HydrophobicContact CG-CG2 4.38Å; M488-V490 PolarHBondContact O-N 3.34Å
489	F	89.6	Confident	93.2	Very high	27 Å²	27	52.4 Å²	52.4	12%	0.118	27%	0.269	C	S	.	.			trans	-67.1	122.9	164.9	172.6	-100	0	0	0	109.5	W325 E487 P491 Q551 F568	W325-F489 PolarHBondContact NE1-O 3.17Å; E487-F489 PolarHBondContact O-N 2.95Å; F489-P491 HydrophobicContact CD1-CG 4.25Å; F489-P491 HydrophobicContact CE1-CB 4.29Å; F489-P491 HydrophobicContact CE1-CG 3.86Å; F489-P491 WeakPolarHBondContact O-CD 3.36Å; F489-Q551 HydrophobicContact CD1-CG 3.84Å; F489-Q551 HydrophobicContact CG-CG 4.42Å; F489-F568 HydrophobicContact CE2-CD1 4.43Å; F489-F568 HydrophobicContact CE2-CE1 4.35Å
490	V	91.1	Very high	93.1	Very high	51 Å²	51	49.3 Å²	49.3	31%	0.309	26%	0.26	S	S	.	.			trans	-105.9	111.5	178.9	-172.4	0	0	0	0	109.3	W325 Y439 I442 L481 M488	W325-V490 HydrophobicContact CH2-CG1 4.04Å; W325-V490 HydrophobicContact CZ2-CB 4.12Å; W325-V490 HydrophobicContact CZ2-CG1 3.86Å; W325-V490 HydrophobicContact CZ2-CG2 4.07Å; Y439-V490 HydrophobicContact CD1-CG1 3.99Å; Y439-V490 HydrophobicContact CE1-CG1 3.81Å; I442-V490 HydrophobicContact CD1-CG1 4.2Å; L481-V490 HydrophobicContact CD1-CG1 4.4Å; L481-V490 HydrophobicContact CD1-CG2 4.02Å; L481-V490 HydrophobicContact CD2-CG2 4.48Å; M488-V490 HydrophobicContact CG-CG2 4.38Å; M488-V490 PolarHBondContact O-N 3.34Å
491	P	90.1	Very high	93	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.019	26%	0.26	C	S	.	.			trans	-59.4	156.8	171.8	-22.2	30.8	0	0	0	112.2	W325 I442 R446 F489 L493	W325-P491 HydrophobicContact CD2-CG 4.48Å; W325-P491 HydrophobicContact CG-CG 4.2Å; I442-P491 HydrophobicContact CD1-CB 4.41Å; I442-P491 WeakPolarHBondContact CD1-O 3.41Å; I442-P491 HydrophobicContact CG2-CB 4.05Å; I442-P491 HydrophobicContact CG2-CG 3.82Å; R446-P491 VanDerWaalsContact NH2-CG 3.33Å; F489-P491 HydrophobicContact CD1-CG 4.25Å; F489-P491 HydrophobicContact CE1-CB 4.29Å; F489-P491 HydrophobicContact CE1-CG 3.86Å; F489-P491 WeakPolarHBondContact O-CD 3.36Å; P491-L493 PolarHBondContact O-N 3.36Å
492	D	88.8	Confident	93	Very high	41 Å²	41	51.6 Å²	51.6	22%	0.219	27%	0.269	C	S	.	.			trans	-55.1	130.9	176.1	-68.4	-13.9	0	0	0	110.6	R445 T494 P495 T540	R445-D492 PolarHBondContact NH2-O 2.97Å; D492-T494 PolarHBondContact O-N 2.7Å; D492-P495 HydrophobicContact CB-CB 4.23Å; D492-P495 WeakPolarHBondContact O-CD 3.37Å; D492-T540 PolarHBondContact OD1-OG1 3.26Å; D492-T540 WeakPolarHBondContact OD2-CB 3.36Å; D492-T540 WeakPolarHBondContact OD2-CG2 3.36Å; D492-T540 PolarHBondContact OD2-N 3.48Å; D492-T540 PolarHBondContact OD2-OG1 3.36Å
493	L	89.6	Confident	93	Very high	58 Å²	58	46.1 Å²	46.1	30%	0.304	24%	0.244	S	C	.	.	S	Bend	trans	-61.3	-32.8	173.6	-74.9	175.1	0	0	0	111.4	Y439 I442 R445 P491	Y439-L493 HydrophobicContact CD1-CD2 3.69Å; Y439-L493 HydrophobicContact CD1-CG 4.42Å; Y439-L493 HydrophobicContact CE1-CD1 4.43Å; Y439-L493 HydrophobicContact CE1-CD2 4.17Å; Y439-L493 HydrophobicContact CE1-CG 4.44Å; Y439-L493 HydrophobicContact CG-CD2 4Å; I442-L493 HydrophobicContact CD1-CD2 4Å; I442-L493 HydrophobicContact CG1-CD2 4.15Å; R445-L493 PolarHBondContact NH1-O 3.36Å; P491-L493 PolarHBondContact O-N 3.36Å
494	T	88.9	Confident	92.9	Very high	111 Å²	111	44.7 Å²	44.7	68%	0.681	24%	0.236	S	C	*	.	S	Bend	trans	-132.6	81.8	177	50.9	0	0	0	0	108.4	D492	D492-T494 PolarHBondContact O-N 2.7Å
495	P	89.3	Confident	92.7	Very high	13 Å²	13	45.5 Å²	45.5	8%	0.084	25%	0.248	C	C	.	.			trans	-63.4	153.5	174.7	28.9	-33.5	0	0	0	109.5	D492 F497 Y498 E537	D492-P495 HydrophobicContact CB-CB 4.23Å; D492-P495 WeakPolarHBondContact O-CD 3.37Å; P495-F497 VanDerWaalsContact C-N 3.34Å; P495-F497 PolarHBondContact O-N 3.47Å; P495-Y498 HydrophobicContact CG-CD1 3.82Å; P495-Y498 HydrophobicContact CG-CG 4.28Å; P495-E537 HydrophobicContact CG-CG 4.47Å
496	T	92.4	Very high	92.6	Very high	69 Å²	69	46.6 Å²	46.6	42%	0.423	26%	0.255	S	S	.	.	S	Bend	trans	-59.7	-47.3	-178.4	-48.4	0	0	0	0	110.8	Y538	T496-Y538 HydrophobicContact CG2-CD1 4.09Å; T496-Y538 HydrophobicContact CG2-CE1 4.34Å; T496-Y538 PolarHBondContact N-O 2.89Å; T496-Y538 VanDerWaalsContact N-O 3.12Å
497	F	92.9	Very high	92.7	Very high	97 Å²	97	48.5 Å²	48.5	43%	0.425	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	152	170.9	-56.8	-74.4	0	0	0	110.2	P495 Y538 L583 F621	P495-F497 VanDerWaalsContact C-N 3.34Å; P495-F497 PolarHBondContact O-N 3.47Å; F497-Y538 AromaticContact CD2-CD1 3.83Å; F497-Y538 HydrophobicContact CD2-CD1 3.83Å; F497-Y538 HydrophobicContact CE2-CD1 4.48Å; F497-Y538 PolarHBondContact N-O 3.13Å; F497-Y538 PolarHBondContact O-N 3.44Å; F497-L583 HydrophobicContact CD2-CD1 3.48Å; F497-L583 VanDerWaalsContact CD2-CD1 3.48Å; F497-L583 HydrophobicContact CE2-CD1 3.76Å; F497-F621 HydrophobicContact CB-CB 4.28Å; F497-F621 HydrophobicContact CB-CD1 3.91Å; F497-F621 HydrophobicContact CB-CD2 3.8Å; F497-F621 HydrophobicContact CB-CE1 4.15Å; F497-F621 HydrophobicContact CB-CE2 4.06Å; F497-F621 HydrophobicContact CB-CG 3.72Å; F497-F621 HydrophobicContact CB-CZ 4.22Å; F497-F621 HydrophobicContact CG-CD2 4.22Å; F497-F621 HydrophobicContact CG-CG 4.43Å
498	Y	93.8	Very high	92.9	Very high	125 Å²	125	47 Å²	47	49%	0.49	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	156.5	172.1	66.8	-84.6	0	0	0	109.6	R445 P495 Y535 F536	R445-Y498 HydrophobicContact CB-CD2 4.46Å; R445-Y498 HydrophobicContact CG-CD2 4.1Å; R445-Y498 HydrophobicContact CG-CE2 3.82Å; P495-Y498 HydrophobicContact CG-CD1 3.82Å; P495-Y498 HydrophobicContact CG-CG 4.28Å; Y498-Y535 HydrophobicContact CD2-CE2 4.29Å; Y498-F536 CarbonylContact C-O 3.51Å; Y498-F536 VanDerWaalsContact CA-O 3.25Å; Y498-F536 WeakPolarHBondContact CA-O 3.4Å
499	G	93.2	Very high	93.3	Very high	14 Å²	14	45.9 Å²	45.9	14%	0.144	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	133.9	-154.3	-179	0	0	0	0	0	111.3	F536	G499-F536 PolarHBondContact N-O 2.89Å; G499-F536 PolarHBondContact O-N 3.16Å
500	A	94.9	Very high	93.6	Very high	10 Å²	10	44.6 Å²	44.6	8%	0.083	24%	0.244	C	C	.	.			trans	-89.4	146.1	171.9	0	0	0	0	0	110.7	C509 Q534 F621 V622	A500-C509 HydrophobicContact CB-CB 4.45Å; A500-Q534 VanDerWaalsContact CA-O 3.3Å; A500-Q534 WeakPolarHBondContact CA-O 3.25Å; A500-Q534 HydrophobicContact CB-CB 4.19Å; A500-F621 CarbonylContact O-C 3.59Å; A500-F621 WeakPolarHBondContact O-CA 3.45Å; A500-V622 HydrophobicContact CB-CG2 3.94Å; A500-V622 PolarHBondContact N-O 3.17Å; A500-V622 PolarHBondContact O-N 3.06Å
501	I	96.9	Very high	93.8	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	102.6	177.6	-52	178	0	0	0	108	C509 L510 F536 L544 I589 W619 L620 F621	I501-C509 CarbonylContact O-C 3.56Å; I501-C509 VanDerWaalsContact O-CA 3.29Å; I501-C509 WeakPolarHBondContact O-CA 3.46Å; I501-L510 HydrophobicContact CB-CB 4.18Å; I501-L510 HydrophobicContact CD1-CD2 4.26Å; I501-L510 PolarHBondContact O-N 3.21Å; I501-F536 HydrophobicContact CD1-CB 3.66Å; I501-F536 HydrophobicContact CD1-CD1 4.23Å; I501-F536 HydrophobicContact CD1-CD2 4.03Å; I501-F536 HydrophobicContact CD1-CG 3.71Å; I501-F536 HydrophobicContact CG1-CB 3.98Å; I501-F536 HydrophobicContact CG1-CD2 4.09Å; I501-F536 HydrophobicContact CG1-CG 4.17Å; I501-L544 HydrophobicContact CD1-CD2 4.12Å; I501-I589 HydrophobicContact CG2-CD1 3.78Å; I501-W619 HydrophobicContact CG2-CB 4.03Å; I501-W619 HydrophobicContact CG2-CD2 4.31Å; I501-W619 HydrophobicContact CG2-CE3 3.77Å; I501-W619 HydrophobicContact CG2-CG 4.45Å; I501-L620 CarbonylContact C-O 3.59Å; I501-L620 WeakPolarHBondContact CA-O 3.43Å; I501-F621 HydrophobicContact CD1-CE1 4.07Å; I501-F621 HydrophobicContact CD1-CE2 4.42Å; I501-F621 HydrophobicContact CD1-CZ 3.75Å; I501-F621 HydrophobicContact CG1-CD1 4.17Å; I501-F621 HydrophobicContact CG1-CE1 3.69Å; I501-F621 HydrophobicContact CG1-CE2 4.31Å; I501-F621 HydrophobicContact CG1-CZ 3.77Å
502	K	97.3	Very high	94	Very high	55 Å²	55	42.5 Å²	42.5	24%	0.239	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	131.2	-177.4	-178.1	179	179.9	-177.3	0	111.2	N507 W619 L620 V622	K502-N507 WeakPolarHBondContact CE-OD1 3.12Å; K502-N507 PolarHBondContact NZ-OD1 2.85Å; K502-W619 CarbonylContact O-C 3.57Å; K502-W619 VanDerWaalsContact O-CA 3.29Å; K502-W619 WeakPolarHBondContact O-CA 3.17Å; K502-L620 PolarHBondContact N-O 2.9Å; K502-L620 PolarHBondContact O-N 3.28Å; K502-V622 HydrophobicContact CB-CG1 4.06Å; K502-V622 HydrophobicContact CB-CG2 3.97Å; K502-V622 HydrophobicContact CD-CG1 4.15Å
503	N	97.4	Very high	94.1	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	134	170.9	-175.2	-101.3	0	0	0	111.1	G505 T506 N507 Q508 M524 S600 H616 W619	N503-G505 PolarHBondContact OD1-N 2.84Å; N503-T506 WeakPolarHBondContact CB-OG1 3.26Å; N503-T506 PolarHBondContact OD1-N 3.34Å; N503-T506 PolarHBondContact OD1-OG1 2.76Å; N503-N507 VanDerWaalsContact O-CA 3.28Å; N503-N507 WeakPolarHBondContact O-CA 3.42Å; N503-N507 PolarHBondContact O-N 3.5Å; N503-Q508 PolarHBondContact N-O 2.93Å; N503-M524 HydrophobicContact CB-CE 3.64Å; N503-S600 PolarHBondContact ND2-OG 3.21Å; N503-S600 PolarHBondContact OD1-OG 3.36Å; N503-S600 VanDerWaalsContact OD1-OG 3.05Å; N503-H616 PolarHBondContact ND2-O 3.13Å; N503-W619 HydrophobicContact CB-CD2 4.33Å; N503-W619 HydrophobicContact CB-CE3 3.69Å; N503-W619 HydrophobicContact CB-CH2 3.88Å; N503-W619 HydrophobicContact CB-CZ2 4.41Å; N503-W619 HydrophobicContact CB-CZ3 3.5Å; N503-W619 VanDerWaalsContact CB-CZ3 3.5Å; N503-W619 VanDerWaalsContact ND2-CZ2 3.35Å; N503-W619 WeakPolarHBondContact ND2-CZ2 3.46Å
504	L	95.1	Very high	93.9	Very high	70 Å²	70	45.7 Å²	45.7	37%	0.366	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-34.7	-178.5	-64.9	-171.4	0	0	0	113.8	L618 L620	L504-L618 HydrophobicContact CB-CB 4.08Å; L504-L618 HydrophobicContact CD1-CB 3.79Å; L504-L618 HydrophobicContact CD1-CD1 4.2Å; L504-L618 HydrophobicContact CG-CB 4.06Å; L504-L618 PolarHBondContact N-O 3.08Å; L504-L620 HydrophobicContact CD1-CD1 4.43Å; L504-L620 HydrophobicContact CD2-CD1 3.71Å; L504-L620 HydrophobicContact CD2-CG 4.24Å; L504-L620 HydrophobicContact CG-CD1 4.44Å
505	G	94	Very high	93.5	Very high	33 Å²	33	45.4 Å²	45.4	34%	0.34	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-34.7	-179.2	0	0	0	0	0	114.1	N503 P615	N503-G505 PolarHBondContact OD1-N 2.84Å; G505-P615 WeakPolarHBondContact CA-O 3.37Å; G505-P615 PolarHBondContact N-O 2.85Å
506	T	94.7	Very high	93.4	Very high	33 Å²	33	45.5 Å²	45.5	20%	0.202	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-15.4	-180	55.8	0	0	0	0	114	N503 Q508 S600	N503-T506 WeakPolarHBondContact CB-OG1 3.26Å; N503-T506 PolarHBondContact OD1-N 3.34Å; N503-T506 PolarHBondContact OD1-OG1 2.76Å; T506-Q508 PolarHBondContact O-N 3.02Å; T506-S600 WeakPolarHBondContact CG2-OG 3.41Å
507	N	94.6	Very high	92.9	Very high	104 Å²	104	50.9 Å²	50.9	56%	0.556	25%	0.252	S	S	*	.			trans	56.8	26	-171.4	-162.5	47.2	0	0	0	113.1	K502 N503	K502-N507 WeakPolarHBondContact CE-OD1 3.12Å; K502-N507 PolarHBondContact NZ-OD1 2.85Å; N503-N507 VanDerWaalsContact O-CA 3.28Å; N503-N507 WeakPolarHBondContact O-CA 3.42Å; N503-N507 PolarHBondContact O-N 3.5Å
508	Q	97	Very high	92.6	Very high	48 Å²	48	47.7 Å²	47.7	22%	0.224	25%	0.247	C	C	.	.			trans	-112.8	161.8	177.9	-69.4	-174.4	-57	0	0	110.6	N503 T506 M524 Y525 C527	N503-Q508 PolarHBondContact N-O 2.93Å; T506-Q508 PolarHBondContact O-N 3.02Å; Q508-M524 HydrophobicContact CB-CB 4.19Å; Q508-M524 HydrophobicContact CB-CE 3.76Å; Q508-M524 WeakPolarHBondContact O-CE 3.46Å; Q508-Y525 CarbonylContact C-O 3.53Å; Q508-Y525 WeakPolarHBondContact CA-O 3.48Å; Q508-Y525 WeakPolarHBondContact CB-O 3.29Å; Q508-C527 VanDerWaalsContact C-SG 3.5Å
509	C	97.3	Very high	92.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	149.3	179	-76.9	0	0	0	0	111.2	A500 I501 Y525 C527	A500-C509 HydrophobicContact CB-CB 4.45Å; I501-C509 CarbonylContact O-C 3.56Å; I501-C509 VanDerWaalsContact O-CA 3.29Å; I501-C509 WeakPolarHBondContact O-CA 3.46Å; C509-Y525 PolarHBondContact N-O 3.38Å; C509-Y525 PolarHBondContact O-N 3.49Å; C509-C527 VanDerWaalsContact CA-SG 3.59Å; C509-C527 HydrophobicContact CB-CB 4.01Å; C509-C527 WeakPolarHBondContact CB-SG 3.33Å; C509-C527 PolarHBondContact N-SG 3.27Å; C509-C527 WeakPolarHBondContact SG-CB 3.29Å; C509-C527 CovalentContact SG-SG 2.04Å; C509-C527 PolarHBondContact SG-SG 3.4Å
510	L	96.5	Very high	91.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	131.4	167.7	-170.1	65	0	0	0	109.1	I501 L522 F536 P605 W619	I501-L510 HydrophobicContact CB-CB 4.18Å; I501-L510 HydrophobicContact CD1-CD2 4.26Å; I501-L510 PolarHBondContact O-N 3.21Å; L510-L522 HydrophobicContact CD1-CB 4.02Å; L510-L522 HydrophobicContact CD1-CD2 3.81Å; L510-L522 HydrophobicContact CD2-CD2 3.91Å; L510-L522 HydrophobicContact CG-CD2 3.8Å; L510-F536 HydrophobicContact CB-CE2 4.14Å; L510-F536 HydrophobicContact CB-CZ 4.48Å; L510-F536 HydrophobicContact CD2-CE1 4.03Å; L510-F536 HydrophobicContact CD2-CE2 4.04Å; L510-F536 HydrophobicContact CD2-CZ 3.7Å; L510-F536 HydrophobicContact CG-CE2 4.01Å; L510-F536 HydrophobicContact CG-CZ 3.85Å; L510-P605 HydrophobicContact CD1-CB 3.75Å; L510-P605 HydrophobicContact CD1-CG 3.39Å; L510-W619 HydrophobicContact CB-CZ3 4.42Å
511	D	95.6	Very high	91.7	Very high	8 Å²	8	53.9 Å²	53.9	4%	0.043	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	133.7	-175.4	-165.6	-54.9	0	0	0	109.5	G513 I523 N533 Q534	D511-G513 PolarHBondContact O-N 2.92Å; D511-G513 WeakPolarHBondContact OD1-CA 3.4Å; D511-G513 PolarHBondContact OD1-N 3.03Å; D511-I523 HydrophobicContact CB-CG1 3.86Å; D511-I523 PolarHBondContact N-O 3.45Å; D511-I523 PolarHBondContact O-N 3.27Å; D511-N533 WeakPolarHBondContact OD1-CB 3.2Å; D511-Q534 HydrophobicContact CB-CG 4.09Å; D511-Q534 WeakPolarHBondContact OD2-CG 3.41Å; D511-Q534 PolarHBondContact OD2-NE2 3.49Å; D511-Q534 VanDerWaalsContact OD2-NE2 3.08Å
512	V	93.7	Very high	91.5	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.018	30%	0.304	C	S	.	.			trans	-73	-13	-180	-56.7	0	0	0	0	112.8	N516 L522 N533 F536 H546 L563	V512-N516 HydrophobicContact CB-CB 4.26Å; V512-N516 HydrophobicContact CG2-CB 4.46Å; V512-N516 WeakPolarHBondContact O-CB 3.28Å; V512-N516 PolarHBondContact O-ND2 2.63Å; V512-L522 HydrophobicContact CG1-CD2 4.47Å; V512-N533 HydrophobicContact CG2-CB 3.84Å; V512-N533 PolarHBondContact N-O 2.74Å; V512-N533 VanDerWaalsContact N-O 3.1Å; V512-F536 HydrophobicContact CG1-CE1 4.25Å; V512-F536 HydrophobicContact CG1-CZ 3.71Å; V512-H546 HydrophobicContact CG1-CB 4.04Å; V512-L563 HydrophobicContact CB-CD2 4.04Å; V512-L563 HydrophobicContact CG1-CD2 3.67Å
513	G	90.9	Very high	91.4	Very high	10 Å²	10	55 Å²	55	10%	0.103	31%	0.31	C	S	.	.			trans	76.1	174.5	-177.4	0	0	0	0	0	113.3	D511 N515	D511-G513 PolarHBondContact O-N 2.92Å; D511-G513 WeakPolarHBondContact OD1-CA 3.4Å; D511-G513 PolarHBondContact OD1-N 3.03Å; G513-N515 PolarHBondContact O-N 3.18Å
514	E	86	Confident	91.3	Very high	155 Å²	155	55.8 Å²	55.8	72%	0.724	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	132.1	-175.5	-156.1	-169.9	156.7	0	0	112.1	N516	E514-N516 PolarHBondContact O-N 3.16Å
515	N	80.7	Confident	91.3	Very high	105 Å²	105	58.4 Å²	58.4	56%	0.561	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	38	175.1	-62.7	-50.4	0	0	0	113.3	G513 K520	G513-N515 PolarHBondContact O-N 3.18Å; N515-K520 PolarHBondContact O-NZ 2.66Å
516	N	85.9	Confident	91.4	Very high	15 Å²	15	60.3 Å²	60.3	8%	0.08	33%	0.328	C	S	.	.			trans	-83.9	112.1	172.5	-167.2	-10.8	0	0	0	110.2	V512 E514 G518 K520	V512-N516 HydrophobicContact CB-CB 4.26Å; V512-N516 HydrophobicContact CG2-CB 4.46Å; V512-N516 WeakPolarHBondContact O-CB 3.28Å; V512-N516 PolarHBondContact O-ND2 2.63Å; E514-N516 PolarHBondContact O-N 3.16Å; N516-G518 PolarHBondContact OD1-N 2.99Å; N516-K520 HydrophobicContact CB-CB 4.43Å; N516-K520 PolarHBondContact ND2-O 3.03Å
517	R	83.1	Confident	91.5	Very high	182 Å²	182	61.2 Å²	61.2	69%	0.687	34%	0.335	S	S	*	.	S	Bend	trans	-109.5	20.2	179	-63.5	-175.4	176.8	-167.7	-1.8	112	K550	R517-K550 HydrophobicContact CB-CD 4.45Å
518	G	85.4	Confident	91.4	Very high	30 Å²	30	59.8 Å²	59.8	31%	0.309	33%	0.325	S	S	.	.	S	Bend	trans	101.1	144.4	-166.3	0	0	0	0	0	111.6	N516 K520 L563	N516-G518 PolarHBondContact OD1-N 2.99Å; G518-K520 PolarHBondContact O-N 2.79Å; G518-L563 CarbonylContact C-O 3.5Å; G518-L563 VanDerWaalsContact CA-O 3.26Å; G518-L563 WeakPolarHBondContact CA-O 3.44Å
519	G	85.1	Confident	91	Very high	76 Å²	76	60.2 Å²	60.2	78%	0.784	34%	0.342	S	S	*	.	S	Bend	trans	85.6	-8.3	174.9	0	0	0	0	0	116.3	L563	G519-L563 PolarHBondContact N-O 2.99Å
520	K	88.8	Confident	90.5	Very high	103 Å²	103	66.4 Å²	66.4	45%	0.448	37%	0.374	S	S	.	.	S	Bend	trans	-94	146.9	168.9	-61.9	-178.6	-178.7	169.3	0	110.5	N515 N516 G518	N515-K520 PolarHBondContact O-NZ 2.66Å; N516-K520 HydrophobicContact CB-CB 4.43Å; N516-K520 PolarHBondContact ND2-O 3.03Å; G518-K520 PolarHBondContact O-N 2.79Å
521	P	89	Confident	90.1	Very high	101 Å²	101	67 Å²	67	66%	0.656	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-64.3	148.8	176.1	28.1	-34.9	0	0	0	111.2
522	L	93.4	Very high	89.7	Confident	9 Å²	9	68 Å²	68	5%	0.047	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-75	161.3	169.6	-62.3	93.6	0	0	0	110.2	L510 V512 F536 L554 L561 L563 P605	L510-L522 HydrophobicContact CD1-CB 4.02Å; L510-L522 HydrophobicContact CD1-CD2 3.81Å; L510-L522 HydrophobicContact CD2-CD2 3.91Å; L510-L522 HydrophobicContact CG-CD2 3.8Å; V512-L522 HydrophobicContact CG1-CD2 4.47Å; L522-F536 HydrophobicContact CD2-CE1 4.28Å; L522-F536 HydrophobicContact CD2-CZ 3.97Å; L522-L554 HydrophobicContact CD1-CD1 3.71Å; L522-L554 HydrophobicContact CD2-CD1 3.79Å; L522-L554 HydrophobicContact CG-CD1 4.45Å; L522-L561 HydrophobicContact CD1-CD2 4.12Å; L522-L561 HydrophobicContact CD1-CG 4.32Å; L522-L563 HydrophobicContact CD1-CB 4.07Å; L522-P605 HydrophobicContact CB-CB 4.35Å; L522-P605 HydrophobicContact CB-CG 3.96Å; L522-P605 WeakPolarHBondContact O-CD 3.26Å
523	I	94.8	Very high	89.6	Confident	71 Å²	71	71.2 Å²	71.2	36%	0.364	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	163.9	177.6	68.3	178.2	0	0	0	110.7	D511	D511-I523 HydrophobicContact CB-CG1 3.86Å; D511-I523 PolarHBondContact N-O 3.45Å; D511-I523 PolarHBondContact O-N 3.27Å
524	M	95.9	Very high	89.8	Confident	15 Å²	15	70.8 Å²	70.8	7%	0.074	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.1	163.1	-62.4	-56.4	-61.9	0	0	108.7	N503 Q508 K603 P605 W619	N503-M524 HydrophobicContact CB-CE 3.64Å; Q508-M524 HydrophobicContact CB-CB 4.19Å; Q508-M524 HydrophobicContact CB-CE 3.76Å; Q508-M524 WeakPolarHBondContact O-CE 3.46Å; M524-K603 WeakPolarHBondContact CB-O 3.13Å; M524-K603 WeakPolarHBondContact CG-O 3.5Å; M524-P605 HydrophobicContact CG-CG 4.26Å; M524-P605 HydrophobicContact SD-CG 3.87Å; M524-W619 HydrophobicContact CE-CH2 3.95Å; M524-W619 HydrophobicContact CE-CZ3 3.88Å; M524-W619 HydrophobicContact SD-CH2 3.77Å; M524-W619 HydrophobicContact SD-CZ3 4.12Å
525	Y	95.8	Very high	90.1	Very high	126 Å²	126	63.7 Å²	63.7	49%	0.494	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	162.5	178.5	-160.2	-102.7	0	0	0	111.9	Q508 C509 C527	Q508-Y525 CarbonylContact C-O 3.53Å; Q508-Y525 WeakPolarHBondContact CA-O 3.48Å; Q508-Y525 WeakPolarHBondContact CB-O 3.29Å; C509-Y525 PolarHBondContact N-O 3.38Å; C509-Y525 PolarHBondContact O-N 3.49Å; Y525-C527 PolarHBondContact O-N 3.45Å
526	S	96.4	Very high	90.8	Very high	73 Å²	73	58.7 Å²	58.7	51%	0.51	35%	0.345	S	S	.	.			trans	-58.3	128.2	175.5	-64.3	0	0	0	0	110.4	H528 Q534	S526-H528 PolarHBondContact O-N 2.84Å; S526-H528 VanDerWaalsContact O-N 3.12Å; S526-Q534 PolarHBondContact O-NE2 3.36Å
527	C	95.6	Very high	91.2	Very high	52 Å²	52	58 Å²	58	35%	0.351	34%	0.341	S	S	.	.			trans	-63.2	112.9	176.6	-62.8	0	0	0	0	109.8	Q508 C509 Y525	Q508-C527 VanDerWaalsContact C-SG 3.5Å; C509-C527 VanDerWaalsContact CA-SG 3.59Å; C509-C527 HydrophobicContact CB-CB 4.01Å; C509-C527 WeakPolarHBondContact CB-SG 3.33Å; C509-C527 PolarHBondContact N-SG 3.27Å; C509-C527 WeakPolarHBondContact SG-CB 3.29Å; C509-C527 CovalentContact SG-SG 2.04Å; C509-C527 PolarHBondContact SG-SG 3.4Å; Y525-C527 PolarHBondContact O-N 3.45Å
528	H	93.1	Very high	91.8	Very high	74 Å²	74	50 Å²	50	34%	0.343	31%	0.312	S	S	.	.			trans	-108.3	-11.6	-175.4	58.6	67.3	0	0	0	113.6	S526 L530 G531 Q534	S526-H528 PolarHBondContact O-N 2.84Å; S526-H528 VanDerWaalsContact O-N 3.12Å; H528-L530 HydrophobicContact CB-CD1 4.44Å; H528-L530 HydrophobicContact CB-CG 4.3Å; H528-L530 WeakPolarHBondContact ND1-CB 3.43Å; H528-L530 WeakPolarHBondContact ND1-CG 3.25Å; H528-L530 PolarHBondContact ND1-N 2.87Å; H528-L530 PolarHBondContact O-N 2.98Å; H528-G531 PolarHBondContact CE1-O 3.47Å; H528-Q534 PolarHBondContact CD2-NE2 2.74Å; H528-Q534 PolarHBondContact CD2-OE1 2.93Å; H528-Q534 WeakPolarHBondContact NE2-CG 3.33Å; H528-Q534 PolarHBondContact NE2-NE2 2.88Å
529	G	88.2	Confident	92.2	Very high	57 Å²	57	49 Å²	49	59%	0.588	30%	0.299	S	S	*	.	S	Bend	trans	65.4	20.1	175.4	0	0	0	0	0	114.5	L448	L448-G529 WeakPolarHBondContact CD1-O 3.14Å
530	L	86.4	Confident	92.5	Very high	129 Å²	129	48.8 Å²	48.8	68%	0.675	28%	0.283	S	S	*	.			trans	-96.9	3.5	-178.4	-52.8	174.6	0	0	0	112.6	H528 G532	H528-L530 HydrophobicContact CB-CD1 4.44Å; H528-L530 HydrophobicContact CB-CG 4.3Å; H528-L530 WeakPolarHBondContact ND1-CB 3.43Å; H528-L530 WeakPolarHBondContact ND1-CG 3.25Å; H528-L530 PolarHBondContact ND1-N 2.87Å; H528-L530 PolarHBondContact O-N 2.98Å; L530-G532 PolarHBondContact O-N 3Å
531	G	87.8	Confident	92.6	Very high	13 Å²	13	48.5 Å²	48.5	13%	0.134	28%	0.283	C	S	.	.			trans	65.4	-125.8	-170.4	0	0	0	0	0	110.8	H528 N533 Q534	H528-G531 PolarHBondContact CE1-O 3.47Å; G531-N533 PolarHBondContact O-N 2.75Å; G531-Q534 PolarHBondContact O-N 2.79Å; G531-Q534 VanDerWaalsContact O-N 3.08Å
532	G	88	Confident	92.9	Very high	29 Å²	29	49.7 Å²	49.7	30%	0.299	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	56.1	-122.1	176.7	0	0	0	0	0	111.7	L530 Q534 Y535 H546	L530-G532 PolarHBondContact O-N 3Å; G532-Q534 PolarHBondContact O-N 2.97Å; G532-Y535 VanDerWaalsContact O-CB 3.29Å; G532-Y535 WeakPolarHBondContact O-CB 3.23Å; G532-Y535 PolarHBondContact O-N 3.17Å; G532-H546 PolarHBondContact O-CE1 3.36Å; G532-H546 VanDerWaalsContact O-CE1 3.28Å
533	N	91.9	Very high	92.9	Very high	71 Å²	71	49.2 Å²	49.2	38%	0.38	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-65.1	-17.4	-178.2	-63.1	-7.8	0	0	0	114.4	D511 V512 G531	D511-N533 WeakPolarHBondContact OD1-CB 3.2Å; V512-N533 HydrophobicContact CG2-CB 3.84Å; V512-N533 PolarHBondContact N-O 2.74Å; V512-N533 VanDerWaalsContact N-O 3.1Å; G531-N533 PolarHBondContact O-N 2.75Å
534	Q	94.2	Very high	93	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-98.3	3	176.4	-65.2	-174.2	-3.6	0	0	112.7	A500 D511 S526 H528 G531 G532 F536	A500-Q534 VanDerWaalsContact CA-O 3.3Å; A500-Q534 WeakPolarHBondContact CA-O 3.25Å; A500-Q534 HydrophobicContact CB-CB 4.19Å; D511-Q534 HydrophobicContact CB-CG 4.09Å; D511-Q534 WeakPolarHBondContact OD2-CG 3.41Å; D511-Q534 PolarHBondContact OD2-NE2 3.49Å; D511-Q534 VanDerWaalsContact OD2-NE2 3.08Å; S526-Q534 PolarHBondContact O-NE2 3.36Å; H528-Q534 PolarHBondContact CD2-NE2 2.74Å; H528-Q534 PolarHBondContact CD2-OE1 2.93Å; H528-Q534 WeakPolarHBondContact NE2-CG 3.33Å; H528-Q534 PolarHBondContact NE2-NE2 2.88Å; G531-Q534 PolarHBondContact O-N 2.79Å; G531-Q534 VanDerWaalsContact O-N 3.08Å; G532-Q534 PolarHBondContact O-N 2.97Å; Q534-F536 WeakPolarHBondContact O-CD2 3.47Å
535	Y	93.3	Very high	92.9	Very high	5 Å²	5	45.2 Å²	45.2	2%	0.02	25%	0.252	C	S	.	.			trans	-81	122.8	-179.3	-176.9	-98.7	0	0	0	111.8	R445 R446 Y498 G532 E537 H546 I548	R445-Y535 HydrophobicContact CB-CE2 4.19Å; R445-Y535 VanDerWaalsContact CB-OH 3.26Å; R445-Y535 WeakPolarHBondContact CB-OH 3.37Å; R445-Y535 WeakPolarHBondContact O-CE2 3.4Å; R446-Y535 HydrophobicContact CG-CE1 3.96Å; Y498-Y535 HydrophobicContact CD2-CE2 4.29Å; G532-Y535 VanDerWaalsContact O-CB 3.29Å; G532-Y535 WeakPolarHBondContact O-CB 3.23Å; G532-Y535 PolarHBondContact O-N 3.17Å; Y535-E537 HydrophobicContact CE1-CG 3.68Å; Y535-E537 VanDerWaalsContact OH-CD 3.27Å; Y535-E537 VanDerWaalsContact OH-CG 3.22Å; Y535-E537 WeakPolarHBondContact OH-CG 3.27Å; Y535-E537 PolarHBondContact OH-OE1 3.1Å; Y535-H546 PolarHBondContact O-ND1 3.42Å; Y535-I548 HydrophobicContact CD1-CD1 3.33Å; Y535-I548 HydrophobicContact CD1-CG1 4.06Å; Y535-I548 HydrophobicContact CE1-CD1 4.02Å; Y535-I548 HydrophobicContact CG-CD1 3.68Å; Y535-I548 HydrophobicContact CG-CG1 4.45Å
536	F	95.1	Very high	92.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.8	170.9	-66	-93.6	0	0	0	111.2	Y498 G499 I501 L510 V512 L522 Q534 R545 H546 F621	Y498-F536 CarbonylContact C-O 3.51Å; Y498-F536 VanDerWaalsContact CA-O 3.25Å; Y498-F536 WeakPolarHBondContact CA-O 3.4Å; G499-F536 PolarHBondContact N-O 2.89Å; G499-F536 PolarHBondContact O-N 3.16Å; I501-F536 HydrophobicContact CD1-CB 3.66Å; I501-F536 HydrophobicContact CD1-CD1 4.23Å; I501-F536 HydrophobicContact CD1-CD2 4.03Å; I501-F536 HydrophobicContact CD1-CG 3.71Å; I501-F536 HydrophobicContact CG1-CB 3.98Å; I501-F536 HydrophobicContact CG1-CD2 4.09Å; I501-F536 HydrophobicContact CG1-CG 4.17Å; L510-F536 HydrophobicContact CB-CE2 4.14Å; L510-F536 HydrophobicContact CB-CZ 4.48Å; L510-F536 HydrophobicContact CD2-CE1 4.03Å; L510-F536 HydrophobicContact CD2-CE2 4.04Å; L510-F536 HydrophobicContact CD2-CZ 3.7Å; L510-F536 HydrophobicContact CG-CE2 4.01Å; L510-F536 HydrophobicContact CG-CZ 3.85Å; V512-F536 HydrophobicContact CG1-CE1 4.25Å; V512-F536 HydrophobicContact CG1-CZ 3.71Å; L522-F536 HydrophobicContact CD2-CE1 4.28Å; L522-F536 HydrophobicContact CD2-CZ 3.97Å; Q534-F536 WeakPolarHBondContact O-CD2 3.47Å; F536-R545 CarbonylContact C-O 3.54Å; F536-R545 WeakPolarHBondContact CA-O 3.28Å; F536-H546 HydrophobicContact CD1-CB 4.19Å; F536-H546 HydrophobicContact CE1-CB 4Å; F536-F621 HydrophobicContact CB-CE1 4.42Å
537	E	94.8	Very high	92.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.9	168.7	-73.4	-177.7	156.6	0	0	109	R445 R446 P495 Y535 R545 N547	R445-E537 IonicContact CZ-OE1 3.58Å; R445-E537 IonicContact NE-OE1 3.59Å; R445-E537 PolarHBondContact NE-OE1 2.85Å; R445-E537 IonicContact NH2-OE1 3.62Å; R445-E537 PolarHBondContact NH2-OE1 2.88Å; R446-E537 IonicContact CZ-OE1 2.84Å; R446-E537 IonicContact CZ-OE2 3.18Å; R446-E537 IonicContact NH1-OE1 3.98Å; R446-E537 PolarHBondContact NH1-OE1 3.12Å; R446-E537 IonicContact NH1-OE2 2.8Å; R446-E537 IonicContact NH2-OE1 2.7Å; R446-E537 PolarHBondContact NH2-OE1 2.8Å; R446-E537 VanDerWaalsContact NH2-OE1 3.14Å; R446-E537 IonicContact NH2-OE2 4Å; R446-E537 PolarHBondContact NH2-OE2 3.11Å; P495-E537 HydrophobicContact CG-CG 4.47Å; Y535-E537 HydrophobicContact CE1-CG 3.68Å; Y535-E537 VanDerWaalsContact OH-CD 3.27Å; Y535-E537 VanDerWaalsContact OH-CG 3.22Å; Y535-E537 WeakPolarHBondContact OH-CG 3.27Å; Y535-E537 PolarHBondContact OH-OE1 3.1Å; E537-R545 PolarHBondContact N-O 2.68Å; E537-R545 PolarHBondContact O-N 3.44Å; E537-N547 PolarHBondContact OE2-ND2 3.33Å; E537-N547 PolarHBondContact OE2-OD1 2.83Å
538	Y	95.3	Very high	91.8	Very high	16 Å²	16	35.3 Å²	35.3	6%	0.063	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	114.1	163.8	-176.7	-112.3	0	0	0	109	T496 F497 R542 D543 L544 W581 L583	T496-Y538 HydrophobicContact CG2-CD1 4.09Å; T496-Y538 HydrophobicContact CG2-CE1 4.34Å; T496-Y538 PolarHBondContact N-O 2.89Å; T496-Y538 VanDerWaalsContact N-O 3.12Å; F497-Y538 AromaticContact CD2-CD1 3.83Å; F497-Y538 HydrophobicContact CD2-CD1 3.83Å; F497-Y538 HydrophobicContact CE2-CD1 4.48Å; F497-Y538 PolarHBondContact N-O 3.13Å; F497-Y538 PolarHBondContact O-N 3.44Å; Y538-R542 HydrophobicContact CE2-CB 4.25Å; Y538-R542 WeakPolarHBondContact OH-CB 3.42Å; Y538-R542 WeakPolarHBondContact OH-CG 3.39Å; Y538-D543 WeakPolarHBondContact CA-O 3.28Å; Y538-D543 WeakPolarHBondContact CD2-O 3.33Å; Y538-L544 HydrophobicContact CD2-CD2 3.73Å; Y538-L544 HydrophobicContact CD2-CG 3.98Å; Y538-L544 HydrophobicContact CG-CD2 4.24Å; Y538-W581 HydrophobicContact CE2-CB 4.23Å; Y538-W581 VanDerWaalsContact CE2-O 3.31Å; Y538-W581 WeakPolarHBondContact CE2-O 3.46Å; Y538-W581 PolarHBondContact OH-O 3.35Å; Y538-L583 HydrophobicContact CD1-CD1 3.34Å; Y538-L583 HydrophobicContact CD1-CG 4.49Å; Y538-L583 HydrophobicContact CD2-CD1 4.02Å; Y538-L583 HydrophobicContact CE1-CD1 3.53Å; Y538-L583 HydrophobicContact CE1-CG 4.33Å; Y538-L583 HydrophobicContact CE2-CD1 4.16Å; Y538-L583 HydrophobicContact CE2-CG 4.44Å; Y538-L583 HydrophobicContact CG-CD1 3.59Å
539	T	93	Very high	91	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.043	21%	0.21	C	C	.	.			trans	-87.5	169.8	-170	74.2	0	0	0	0	112.7	Q541 R542 D543 R545	T539-Q541 PolarHBondContact O-N 3.18Å; T539-Q541 PolarHBondContact OG1-N 3.19Å; T539-Q541 VanDerWaalsContact OG1-N 3.17Å; T539-R542 PolarHBondContact O-N 3.17Å; T539-R542 VanDerWaalsContact O-N 3.1Å; T539-D543 VanDerWaalsContact CB-OD1 3.29Å; T539-D543 WeakPolarHBondContact CB-OD1 3.44Å; T539-D543 WeakPolarHBondContact CG2-OD1 3.32Å; T539-D543 PolarHBondContact N-O 3.08Å; T539-D543 VanDerWaalsContact N-O 3.09Å; T539-D543 PolarHBondContact OG1-N 3.16Å; T539-D543 PolarHBondContact OG1-OD1 3.3Å; T539-R545 HydrophobicContact CG2-CG 4.09Å
540	T	90.9	Very high	90.7	Very high	73 Å²	73	37.6 Å²	37.6	45%	0.448	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.7	170.3	54.9	0	0	0	0	113.2	D492 R542	D492-T540 PolarHBondContact OD1-OG1 3.26Å; D492-T540 WeakPolarHBondContact OD2-CB 3.36Å; D492-T540 WeakPolarHBondContact OD2-CG2 3.36Å; D492-T540 PolarHBondContact OD2-N 3.48Å; D492-T540 PolarHBondContact OD2-OG1 3.36Å; T540-R542 VanDerWaalsContact C-N 3.27Å
541	Q	91.9	Very high	90.7	Very high	97 Å²	97	34 Å²	34	45%	0.453	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	6.2	175.7	-54.5	-53.3	-48.8	0	0	113.1	T539 D543 F568 V575	T539-Q541 PolarHBondContact O-N 3.18Å; T539-Q541 PolarHBondContact OG1-N 3.19Å; T539-Q541 VanDerWaalsContact OG1-N 3.17Å; Q541-D543 VanDerWaalsContact C-N 3.34Å; Q541-D543 PolarHBondContact O-N 3.3Å; Q541-F568 HydrophobicContact CB-CD1 4.46Å; Q541-F568 HydrophobicContact CB-CE1 4.36Å; Q541-F568 HydrophobicContact CG-CD1 4.19Å; Q541-F568 HydrophobicContact CG-CE1 3.62Å; Q541-F568 HydrophobicContact CG-CZ 3.86Å; Q541-V575 HydrophobicContact CB-CG2 3.69Å
542	R	94.7	Very high	91	Very high	125 Å²	125	33.5 Å²	33.5	47%	0.472	18%	0.178	S	C	.	.	S	Bend	trans	65.3	29	177.6	-54.4	-176.5	171.8	-167.1	-6.7	114.6	Y538 T539 T540 E580 W581	Y538-R542 HydrophobicContact CE2-CB 4.25Å; Y538-R542 WeakPolarHBondContact OH-CB 3.42Å; Y538-R542 WeakPolarHBondContact OH-CG 3.39Å; T539-R542 PolarHBondContact O-N 3.17Å; T539-R542 VanDerWaalsContact O-N 3.1Å; T540-R542 VanDerWaalsContact C-N 3.27Å; R542-E580 HydrophobicContact CB-CG 4.09Å; R542-W581 PolarHBondContact O-N 3.15Å
543	D	94.7	Very high	91.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-101.5	156.3	166.9	62.7	13.2	0	0	0	112.2	Y538 T539 Q541 R545 V575	Y538-D543 WeakPolarHBondContact CA-O 3.28Å; Y538-D543 WeakPolarHBondContact CD2-O 3.33Å; T539-D543 VanDerWaalsContact CB-OD1 3.29Å; T539-D543 WeakPolarHBondContact CB-OD1 3.44Å; T539-D543 WeakPolarHBondContact CG2-OD1 3.32Å; T539-D543 PolarHBondContact N-O 3.08Å; T539-D543 VanDerWaalsContact N-O 3.09Å; T539-D543 PolarHBondContact OG1-N 3.16Å; T539-D543 PolarHBondContact OG1-OD1 3.3Å; Q541-D543 VanDerWaalsContact C-N 3.34Å; Q541-D543 PolarHBondContact O-N 3.3Å; D543-R545 VanDerWaalsContact CG-NE 3.31Å; D543-R545 IonicContact OD1-NE 3.77Å; D543-R545 PolarHBondContact OD1-NE 2.79Å; D543-R545 VanDerWaalsContact OD1-NE 3.08Å; D543-R545 IonicContact OD2-CZ 3.14Å; D543-R545 IonicContact OD2-NE 3.93Å; D543-R545 PolarHBondContact OD2-NE 3.13Å; D543-R545 IonicContact OD2-NH2 2.7Å; D543-R545 PolarHBondContact OD2-NH2 2.8Å; D543-V575 HydrophobicContact CB-CG1 3.88Å; D543-V575 HydrophobicContact CB-CG2 4.13Å
544	L	95.9	Very high	91.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	111.5	176.5	-80	172.1	0	0	0	109.4	I501 Y538 C553 L554 W581 I589 F621	I501-L544 HydrophobicContact CD1-CD2 4.12Å; Y538-L544 HydrophobicContact CD2-CD2 3.73Å; Y538-L544 HydrophobicContact CD2-CG 3.98Å; Y538-L544 HydrophobicContact CG-CD2 4.24Å; L544-C553 WeakPolarHBondContact O-CA 3.48Å; L544-L554 HydrophobicContact CB-CB 3.94Å; L544-L554 HydrophobicContact CB-CD2 4.39Å; L544-L554 HydrophobicContact CD1-CD2 3.86Å; L544-L554 PolarHBondContact O-N 2.8Å; L544-W581 HydrophobicContact CB-CG 4.43Å; L544-W581 HydrophobicContact CD1-CB 4.04Å; L544-W581 HydrophobicContact CD1-CD2 3.95Å; L544-W581 HydrophobicContact CD1-CE3 4.5Å; L544-W581 HydrophobicContact CD1-CG 3.71Å; L544-W581 HydrophobicContact CG-CB 4.22Å; L544-W581 HydrophobicContact CG-CG 4.03Å; L544-I589 HydrophobicContact CD1-CG2 3.74Å; L544-F621 HydrophobicContact CD2-CE2 4.42Å; L544-F621 HydrophobicContact CD2-CZ 3.74Å
545	R	94.6	Very high	91.6	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.1	-171.5	-62	-172.1	170.7	-113.9	-14	112.3	F536 E537 T539 D543 N547 L552 C566 F568	F536-R545 CarbonylContact C-O 3.54Å; F536-R545 WeakPolarHBondContact CA-O 3.28Å; E537-R545 PolarHBondContact N-O 2.68Å; E537-R545 PolarHBondContact O-N 3.44Å; T539-R545 HydrophobicContact CG2-CG 4.09Å; D543-R545 VanDerWaalsContact CG-NE 3.31Å; D543-R545 IonicContact OD1-NE 3.77Å; D543-R545 PolarHBondContact OD1-NE 2.79Å; D543-R545 VanDerWaalsContact OD1-NE 3.08Å; D543-R545 IonicContact OD2-CZ 3.14Å; D543-R545 IonicContact OD2-NE 3.93Å; D543-R545 PolarHBondContact OD2-NE 3.13Å; D543-R545 IonicContact OD2-NH2 2.7Å; D543-R545 PolarHBondContact OD2-NH2 2.8Å; R545-N547 HydrophobicContact CB-CB 4.31Å; R545-L552 CarbonylContact C-O 3.47Å; R545-L552 VanDerWaalsContact CA-O 3.25Å; R545-L552 WeakPolarHBondContact CA-O 3.48Å; R545-C566 PolarHBondContact NH1-SG 3.41Å; R545-F568 PolarHBondContact NH1-O 3.22Å; R545-F568 VanDerWaalsContact NH2-CD1 3.32Å; R545-F568 PolarHBondContact NH2-O 2.92Å
546	H	93.3	Very high	91.6	Very high	13 Å²	13	30.8 Å²	30.8	6%	0.06	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	98.7	158.1	177.5	74.2	0	0	0	108.2	V512 G532 Y535 F536 L552 L563	V512-H546 HydrophobicContact CG1-CB 4.04Å; G532-H546 PolarHBondContact O-CE1 3.36Å; G532-H546 VanDerWaalsContact O-CE1 3.28Å; Y535-H546 PolarHBondContact O-ND1 3.42Å; F536-H546 HydrophobicContact CD1-CB 4.19Å; F536-H546 HydrophobicContact CE1-CB 4Å; H546-L552 HydrophobicContact CB-CB 4.5Å; H546-L552 PolarHBondContact N-O 2.93Å; H546-L552 WeakPolarHBondContact O-CB 3.45Å; H546-L552 PolarHBondContact O-N 2.78Å; H546-L552 VanDerWaalsContact O-N 3.13Å; H546-L563 HydrophobicContact CB-CD1 4.28Å
547	N	87.9	Confident	91.2	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.175	C	C	.	.			trans	-127.8	45.7	-166.1	61	1.9	0	0	0	114.1	R446 E537 R545 K550	R446-N547 PolarHBondContact NE-O 2.89Å; R446-N547 PolarHBondContact NH2-ND2 2.98Å; R446-N547 PolarHBondContact NH2-OD1 2.96Å; E537-N547 PolarHBondContact OE2-ND2 3.33Å; E537-N547 PolarHBondContact OE2-OD1 2.83Å; R545-N547 HydrophobicContact CB-CB 4.31Å; N547-K550 WeakPolarHBondContact CA-O 3.19Å
548	I	82.8	Confident	90.7	Very high	29 Å²	29	43.8 Å²	43.8	15%	0.149	22%	0.22	C	C	.	.	S	Bend	trans	-75.8	-62.5	171.8	-58.8	-57.3	0	0	0	111.2	S326 R446 Y535	S326-I548 PolarHBondContact OG-O 3.3Å; R446-I548 HydrophobicContact CB-CD1 3.8Å; R446-I548 HydrophobicContact CG-CD1 3.77Å; Y535-I548 HydrophobicContact CD1-CD1 3.33Å; Y535-I548 HydrophobicContact CD1-CG1 4.06Å; Y535-I548 HydrophobicContact CE1-CD1 4.02Å; Y535-I548 HydrophobicContact CG-CD1 3.68Å; Y535-I548 HydrophobicContact CG-CG1 4.45Å
549	A	76.1	Confident	89.8	Confident	73 Å²	73	45.5 Å²	45.5	60%	0.603	24%	0.242	S	C	*	.	S	Bend	trans	-107.9	-37.7	-175.4	0	0	0	0	0	113.3
550	K	81.6	Confident	89.5	Confident	106 Å²	106	48 Å²	48	46%	0.461	26%	0.263	S	S	.	.	S	Bend	trans	-127	151.5	173.6	-72.3	-168.5	175.6	-168.3	0	108.9	R517 N547 L552	R517-K550 HydrophobicContact CB-CD 4.45Å; N547-K550 WeakPolarHBondContact CA-O 3.19Å; K550-L552 VanDerWaalsContact C-N 3.33Å; K550-L552 HydrophobicContact CB-CD2 4.07Å; K550-L552 HydrophobicContact CB-CG 3.99Å; K550-L552 PolarHBondContact O-N 3.3Å
551	Q	87.8	Confident	89.6	Confident	53 Å²	53	45.7 Å²	45.7	25%	0.248	25%	0.248	C	C	.	.			trans	-75.7	87.5	172.3	-61	-58.5	-42	0	0	109.3	F489 C566	F489-Q551 HydrophobicContact CD1-CG 3.84Å; F489-Q551 HydrophobicContact CG-CG 4.42Å; Q551-C566 PolarHBondContact O-N 2.7Å; Q551-C566 VanDerWaalsContact O-N 3.07Å
552	L	93.2	Very high	89.6	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	141.1	177.8	-56	179	0	0	0	111.2	R545 H546 K550 L563 G564 C566	R545-L552 CarbonylContact C-O 3.47Å; R545-L552 VanDerWaalsContact CA-O 3.25Å; R545-L552 WeakPolarHBondContact CA-O 3.48Å; H546-L552 HydrophobicContact CB-CB 4.5Å; H546-L552 PolarHBondContact N-O 2.93Å; H546-L552 WeakPolarHBondContact O-CB 3.45Å; H546-L552 PolarHBondContact O-N 2.78Å; H546-L552 VanDerWaalsContact O-N 3.13Å; K550-L552 VanDerWaalsContact C-N 3.33Å; K550-L552 HydrophobicContact CB-CD2 4.07Å; K550-L552 HydrophobicContact CB-CG 3.99Å; K550-L552 PolarHBondContact O-N 3.3Å; L552-L563 HydrophobicContact CB-CD1 3.89Å; L552-L563 HydrophobicContact CB-CD2 4.2Å; L552-L563 HydrophobicContact CB-CG 3.84Å; L552-L563 HydrophobicContact CD1-CD2 3.67Å; L552-L563 HydrophobicContact CD1-CG 4.03Å; L552-G564 CarbonylContact C-O 3.6Å; L552-G564 WeakPolarHBondContact CA-O 3.49Å; L552-G564 WeakPolarHBondContact CB-O 3.38Å; L552-G564 WeakPolarHBondContact CD2-O 3.26Å; L552-C566 PolarHBondContact O-SG 2.85Å
553	C	95.1	Very high	89.6	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139	178.8	-78.7	0	0	0	0	110.1	L544 G564 C566 E579	L544-C553 WeakPolarHBondContact O-CA 3.48Å; C553-G564 PolarHBondContact N-O 3.32Å; C553-G564 PolarHBondContact O-N 3.33Å; C553-G564 VanDerWaalsContact O-N 3.08Å; C553-C566 VanDerWaalsContact CA-SG 3.58Å; C553-C566 HydrophobicContact CB-CB 3.92Å; C553-C566 WeakPolarHBondContact CB-SG 3.46Å; C553-C566 PolarHBondContact N-SG 3.42Å; C553-C566 VanDerWaalsContact SG-CA 3.53Å; C553-C566 WeakPolarHBondContact SG-CB 3.46Å; C553-C566 CovalentContact SG-SG 2.04Å; C553-C566 PolarHBondContact SG-SG 3.36Å; C553-E579 HydrophobicContact CB-CG 4.33Å
554	L	95.9	Very high	89.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.4	169.4	-164.6	72	0	0	0	108.2	L522 L544 L561 W581	L522-L554 HydrophobicContact CD1-CD1 3.71Å; L522-L554 HydrophobicContact CD2-CD1 3.79Å; L522-L554 HydrophobicContact CG-CD1 4.45Å; L544-L554 HydrophobicContact CB-CB 3.94Å; L544-L554 HydrophobicContact CB-CD2 4.39Å; L544-L554 HydrophobicContact CD1-CD2 3.86Å; L544-L554 PolarHBondContact O-N 2.8Å; L554-L561 HydrophobicContact CD1-CD1 3.8Å; L554-L561 HydrophobicContact CD1-CD2 4.2Å; L554-L561 HydrophobicContact CD1-CG 3.98Å; L554-L561 HydrophobicContact CD2-CD1 4.01Å; L554-L561 HydrophobicContact CG-CD1 3.78Å; L554-L561 HydrophobicContact CG-CG 4.49Å; L554-W581 HydrophobicContact CB-CZ2 4.11Å; L554-W581 HydrophobicContact CD2-CH2 3.99Å; L554-W581 HydrophobicContact CD2-CZ2 3.66Å; L554-W581 HydrophobicContact CG-CH2 4.28Å; L554-W581 HydrophobicContact CG-CZ2 3.63Å; L554-W581 PolarHBondContact O-NE1 3.35Å
555	H	95.1	Very high	89.3	Confident	37 Å²	37	40.7 Å²	40.7	17%	0.171	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	162.1	-176.4	73.6	94.8	0	0	0	111.6	G562 G564 D578 E579	H555-G562 PolarHBondContact CD2-O 3Å; H555-G562 VanDerWaalsContact CD2-O 3.3Å; H555-G562 PolarHBondContact N-O 2.92Å; H555-G562 PolarHBondContact O-N 2.82Å; H555-G564 PolarHBondContact CD2-N 3.44Å; H555-D578 CarbonylContact C-O 3.59Å; H555-D578 VanDerWaalsContact CA-O 3.29Å; H555-D578 WeakPolarHBondContact CA-O 3.38Å; H555-E579 HydrophobicContact CB-CG 3.68Å
556	V	94.3	Very high	89.2	Confident	11 Å²	11	41.1 Å²	41.1	7%	0.067	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	110.2	174.3	-178.8	0	0	0	0	109.7	A560 D578 W581 N591 M607	V556-A560 WeakPolarHBondContact CA-O 3.32Å; V556-D578 PolarHBondContact N-O 3.1Å; V556-D578 WeakPolarHBondContact O-CB 3.49Å; V556-W581 HydrophobicContact CG2-CH2 3.57Å; V556-W581 HydrophobicContact CG2-CZ2 3.96Å; V556-W581 HydrophobicContact CG2-CZ3 4.43Å; V556-N591 HydrophobicContact CG2-CB 3.89Å; V556-M607 HydrophobicContact CG1-CG 4.23Å; V556-M607 HydrophobicContact CG2-CE 3.88Å; V556-M607 HydrophobicContact CG2-CG 4Å; V556-M607 HydrophobicContact CG2-SD 3.83Å
557	S	87.4	Confident	89.1	Confident	60 Å²	60	46.1 Å²	46.1	42%	0.42	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124	177.4	-171.5	0	0	0	0	110.7	G559 A560	S557-G559 PolarHBondContact O-N 2.84Å; S557-G559 VanDerWaalsContact O-N 3.16Å; S557-A560 PolarHBondContact N-O 2.68Å; S557-A560 PolarHBondContact O-N 3.07Å
558	K	83.3	Confident	89.2	Confident	213 Å²	213	47.7 Å²	47.7	93%	0.926	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	36.1	-178.3	-57.2	-179.8	-179.9	179	0	113.4	A560	K558-A560 VanDerWaalsContact C-N 3.27Å; K558-A560 PolarHBondContact O-N 3.24Å
559	G	77.4	Confident	89.3	Confident	52 Å²	52	50.5 Å²	50.5	54%	0.536	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	-1.5	-178.9	0	0	0	0	0	115.2	S557	S557-G559 PolarHBondContact O-N 2.84Å; S557-G559 VanDerWaalsContact O-N 3.16Å
560	A	86.1	Confident	89.5	Confident	59 Å²	59	48.1 Å²	48.1	49%	0.488	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	140.8	176.2	0	0	0	0	0	111.5	V556 S557 K558	V556-A560 WeakPolarHBondContact CA-O 3.32Å; S557-A560 PolarHBondContact N-O 2.68Å; S557-A560 PolarHBondContact O-N 3.07Å; K558-A560 VanDerWaalsContact C-N 3.27Å; K558-A560 PolarHBondContact O-N 3.24Å
561	L	92.7	Very high	88.9	Confident	25 Å²	25	51.5 Å²	51.5	13%	0.131	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	135	172.3	-171.1	75.2	0	0	0	110.1	L522 L554 W581 L598 P605 M607	L522-L561 HydrophobicContact CD1-CD2 4.12Å; L522-L561 HydrophobicContact CD1-CG 4.32Å; L554-L561 HydrophobicContact CD1-CD1 3.8Å; L554-L561 HydrophobicContact CD1-CD2 4.2Å; L554-L561 HydrophobicContact CD1-CG 3.98Å; L554-L561 HydrophobicContact CD2-CD1 4.01Å; L554-L561 HydrophobicContact CG-CD1 3.78Å; L554-L561 HydrophobicContact CG-CG 4.49Å; L561-W581 HydrophobicContact CD1-CH2 3.66Å; L561-W581 HydrophobicContact CD1-CZ2 4.11Å; L561-L598 HydrophobicContact CD1-CD1 3.9Å; L561-L598 HydrophobicContact CD2-CD1 3.46Å; L561-L598 VanDerWaalsContact CD2-CD1 3.46Å; L561-L598 HydrophobicContact CG-CD1 4.3Å; L561-P605 HydrophobicContact CD2-CB 3.5Å; L561-P605 VanDerWaalsContact CD2-CB 3.5Å; L561-M607 HydrophobicContact CB-CG 4.28Å; L561-M607 HydrophobicContact CD1-SD 3.82Å
562	G	92.3	Very high	88.2	Confident	13 Å²	13	57.5 Å²	57.5	13%	0.134	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	165.7	177.5	0	0	0	0	0	112.7	H555	H555-G562 PolarHBondContact CD2-O 3Å; H555-G562 VanDerWaalsContact CD2-O 3.3Å; H555-G562 PolarHBondContact N-O 2.92Å; H555-G562 PolarHBondContact O-N 2.82Å
563	L	93.6	Very high	87.8	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.1	170.1	-170	71.1	0	0	0	107.9	V512 G518 G519 L522 H546 L552	V512-L563 HydrophobicContact CB-CD2 4.04Å; V512-L563 HydrophobicContact CG1-CD2 3.67Å; G518-L563 CarbonylContact C-O 3.5Å; G518-L563 VanDerWaalsContact CA-O 3.26Å; G518-L563 WeakPolarHBondContact CA-O 3.44Å; G519-L563 PolarHBondContact N-O 2.99Å; L522-L563 HydrophobicContact CD1-CB 4.07Å; H546-L563 HydrophobicContact CB-CD1 4.28Å; L552-L563 HydrophobicContact CB-CD1 3.89Å; L552-L563 HydrophobicContact CB-CD2 4.2Å; L552-L563 HydrophobicContact CB-CG 3.84Å; L552-L563 HydrophobicContact CD1-CD2 3.67Å; L552-L563 HydrophobicContact CD1-CG 4.03Å
564	G	93.1	Very high	87.5	Confident	15 Å²	15	66.9 Å²	66.9	16%	0.155	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	175	-174.2	0	0	0	0	0	111.7	L552 C553 H555 C566	L552-G564 CarbonylContact C-O 3.6Å; L552-G564 WeakPolarHBondContact CA-O 3.49Å; L552-G564 WeakPolarHBondContact CB-O 3.38Å; L552-G564 WeakPolarHBondContact CD2-O 3.26Å; C553-G564 PolarHBondContact N-O 3.32Å; C553-G564 PolarHBondContact O-N 3.33Å; C553-G564 VanDerWaalsContact O-N 3.08Å; H555-G564 PolarHBondContact CD2-N 3.44Å; G564-C566 PolarHBondContact O-N 2.75Å
565	S	92.6	Very high	87.4	Confident	88 Å²	88	68 Å²	68	62%	0.615	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.4	131	171.5	-63.7	0	0	0	0	109.8	H567	S565-H567 PolarHBondContact O-N 3.47Å
566	C	91.9	Very high	87.4	Confident	12 Å²	12	68 Å²	68	8%	0.081	39%	0.387	C	S	.	.			trans	-59.3	133.5	176.7	-67.2	0	0	0	0	111.9	R545 Q551 L552 C553 G564	R545-C566 PolarHBondContact NH1-SG 3.41Å; Q551-C566 PolarHBondContact O-N 2.7Å; Q551-C566 VanDerWaalsContact O-N 3.07Å; L552-C566 PolarHBondContact O-SG 2.85Å; C553-C566 VanDerWaalsContact CA-SG 3.58Å; C553-C566 HydrophobicContact CB-CB 3.92Å; C553-C566 WeakPolarHBondContact CB-SG 3.46Å; C553-C566 PolarHBondContact N-SG 3.42Å; C553-C566 VanDerWaalsContact SG-CA 3.53Å; C553-C566 WeakPolarHBondContact SG-CB 3.46Å; C553-C566 CovalentContact SG-SG 2.04Å; C553-C566 PolarHBondContact SG-SG 3.36Å; G564-C566 PolarHBondContact O-N 2.75Å
567	H	91.4	Very high	87.4	Confident	117 Å²	117	73.4 Å²	73.4	54%	0.542	41%	0.41	S	S	.	.	S	Bend	trans	-78.4	-33.6	173.2	-68.7	82.7	0	0	0	111.7	S565 T569 P576 E579	S565-H567 PolarHBondContact O-N 3.47Å; H567-T569 PolarHBondContact O-N 3.22Å; H567-P576 HydrophobicContact CB-CG 3.82Å; H567-E579 IonicContact CE1-OE1 3.74Å; H567-E579 IonicContact CG-OE1 3.24Å; H567-E579 IonicContact CG-OE2 3.96Å; H567-E579 PolarHBondContact N-OE2 3.05Å; H567-E579 IonicContact ND1-OE1 3.3Å; H567-E579 PolarHBondContact ND1-OE1 2.04Å; H567-E579 IonicContact ND1-OE2 3.34Å; H567-E579 PolarHBondContact ND1-OE2 3.42Å
568	F	89.4	Confident	87.8	Confident	34 Å²	34	73 Å²	73	15%	0.149	40%	0.403	C	S	.	.			trans	-75.9	113.9	171	-177.8	-112.3	0	0	0	110.3	F489 Q541 R545 S573 V575	F489-F568 HydrophobicContact CE2-CD1 4.43Å; F489-F568 HydrophobicContact CE2-CE1 4.35Å; Q541-F568 HydrophobicContact CB-CD1 4.46Å; Q541-F568 HydrophobicContact CB-CE1 4.36Å; Q541-F568 HydrophobicContact CG-CD1 4.19Å; Q541-F568 HydrophobicContact CG-CE1 3.62Å; Q541-F568 HydrophobicContact CG-CZ 3.86Å; R545-F568 PolarHBondContact NH1-O 3.22Å; R545-F568 VanDerWaalsContact NH2-CD1 3.32Å; R545-F568 PolarHBondContact NH2-O 2.92Å; F568-S573 WeakPolarHBondContact CD2-O 3.4Å; F568-S573 WeakPolarHBondContact CD2-OG 3.01Å; F568-S573 WeakPolarHBondContact CE2-O 3.35Å; F568-V575 HydrophobicContact CB-CB 4.47Å; F568-V575 HydrophobicContact CB-CG2 3.6Å; F568-V575 HydrophobicContact CD1-CG2 4.19Å; F568-V575 HydrophobicContact CD2-CG2 4.45Å; F568-V575 HydrophobicContact CG-CG2 3.84Å
569	T	84.9	Confident	88.4	Confident	88 Å²	88	63 Å²	63	54%	0.54	36%	0.36	S	S	.	.			trans	-119.8	10.4	178.6	56.6	0	0	0	0	112.1	H567 S573	H567-T569 PolarHBondContact O-N 3.22Å; T569-S573 PolarHBondContact N-OG 3.16Å
570	G	80.6	Confident	89.3	Confident	23 Å²	23	62 Å²	62	24%	0.237	34%	0.341	C	S	.	.	S	Bend	trans	100.5	-131	-175.7	0	0	0	0	0	112.1	N572 S573	G570-N572 PolarHBondContact O-N 3.42Å; G570-S573 PolarHBondContact N-OG 3.48Å; G570-S573 VanDerWaalsContact N-OG 3.14Å; G570-S573 PolarHBondContact O-N 3.49Å; G570-S573 PolarHBondContact O-OG 3.28Å
571	K	68.6	Low	89.8	Confident	178 Å²	178	59.2 Å²	59.2	77%	0.774	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	127.9	-169.1	-70.8	-177.2	-179.9	175.6	0	112	S573	K571-S573 VanDerWaalsContact C-N 3.3Å; K571-S573 PolarHBondContact O-N 3.08Å
572	N	73	Confident	90	Very high	178 Å²	178	61.5 Å²	61.5	95%	0.952	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	17.7	-179.8	-51.9	-28.9	0	0	0	116.2	G570	G570-N572 PolarHBondContact O-N 3.42Å
573	S	85.3	Confident	90.1	Very high	29 Å²	29	63.1 Å²	63.1	20%	0.203	33%	0.334	C	S	.	.			trans	-120.9	157.6	170.9	67	0	0	0	0	110.7	F568 T569 G570 K571	F568-S573 WeakPolarHBondContact CD2-O 3.4Å; F568-S573 WeakPolarHBondContact CD2-OG 3.01Å; F568-S573 WeakPolarHBondContact CE2-O 3.35Å; T569-S573 PolarHBondContact N-OG 3.16Å; G570-S573 PolarHBondContact N-OG 3.48Å; G570-S573 VanDerWaalsContact N-OG 3.14Å; G570-S573 PolarHBondContact O-N 3.49Å; G570-S573 PolarHBondContact O-OG 3.28Å; K571-S573 VanDerWaalsContact C-N 3.3Å; K571-S573 PolarHBondContact O-N 3.08Å
574	Q	89.6	Confident	90.1	Very high	171 Å²	171	64.9 Å²	64.9	80%	0.799	34%	0.344	S	S	*	.			trans	-130.4	153.4	173.1	-68.4	-175.6	-6.9	0	0	108.8	P576	Q574-P576 WeakPolarHBondContact O-CD 3.29Å
575	V	93.1	Very high	89.9	Confident	24 Å²	24	73.4 Å²	73.4	15%	0.145	38%	0.38	C	S	.	.			trans	-68.4	118.8	172.1	179.2	0	0	0	0	107.9	Q541 D543 F568 E579 E580	Q541-V575 HydrophobicContact CB-CG2 3.69Å; D543-V575 HydrophobicContact CB-CG1 3.88Å; D543-V575 HydrophobicContact CB-CG2 4.13Å; F568-V575 HydrophobicContact CB-CB 4.47Å; F568-V575 HydrophobicContact CB-CG2 3.6Å; F568-V575 HydrophobicContact CD1-CG2 4.19Å; F568-V575 HydrophobicContact CD2-CG2 4.45Å; F568-V575 HydrophobicContact CG-CG2 3.84Å; V575-E579 HydrophobicContact CG1-CB 3.96Å; V575-E580 HydrophobicContact CG1-CB 3.97Å
576	P	94.7	Very high	89.9	Confident	36 Å²	36	73.9 Å²	73.9	23%	0.234	38%	0.376	C	S	.	.			trans	-72.5	156.2	177.5	34	-37.8	0	0	0	110.3	H567 Q574 D578 E579 E580	H567-P576 HydrophobicContact CB-CG 3.82Å; Q574-P576 WeakPolarHBondContact O-CD 3.29Å; P576-D578 VanDerWaalsContact CB-OD1 3.24Å; P576-D578 WeakPolarHBondContact CB-OD1 3.3Å; P576-D578 WeakPolarHBondContact CG-OD1 3.27Å; P576-D578 PolarHBondContact O-N 3.32Å; P576-D578 VanDerWaalsContact O-N 3.12Å; P576-E579 HydrophobicContact CG-CB 3.92Å; P576-E579 HydrophobicContact CG-CG 3.89Å; P576-E579 CarbonylContact O-C 3.54Å; P576-E579 PolarHBondContact O-N 2.7Å; P576-E580 PolarHBondContact O-N 3.11Å
577	K	94.5	Very high	89.9	Confident	125 Å²	125	77 Å²	77	54%	0.543	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.4	-172.5	-75.2	-74.8	169.6	-161.7	0	113.8	E579 E580 G593	K577-E579 VanDerWaalsContact C-N 3.32Å; K577-E580 VanDerWaalsContact CD-OE2 3.31Å; K577-E580 WeakPolarHBondContact CD-OE2 3.28Å; K577-E580 WeakPolarHBondContact CE-OE2 3.18Å; K577-E580 IonicContact NZ-OE1 3.76Å; K577-E580 IonicContact NZ-OE2 3.97Å; K577-E580 PolarHBondContact NZ-OE2 2.64Å; K577-G593 WeakPolarHBondContact O-CA 3.28Å; K577-G593 PolarHBondContact O-N 2.79Å
578	D	94.9	Very high	90.2	Very high	53 Å²	53	71.8 Å²	71.8	28%	0.283	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-16.3	176.1	61.6	-41.2	0	0	0	113.9	H555 V556 P576 N591	H555-D578 CarbonylContact C-O 3.59Å; H555-D578 VanDerWaalsContact CA-O 3.29Å; H555-D578 WeakPolarHBondContact CA-O 3.38Å; V556-D578 PolarHBondContact N-O 3.1Å; V556-D578 WeakPolarHBondContact O-CB 3.49Å; P576-D578 VanDerWaalsContact CB-OD1 3.24Å; P576-D578 WeakPolarHBondContact CB-OD1 3.3Å; P576-D578 WeakPolarHBondContact CG-OD1 3.27Å; P576-D578 PolarHBondContact O-N 3.32Å; P576-D578 VanDerWaalsContact O-N 3.12Å; D578-N591 PolarHBondContact O-ND2 3.21Å
579	E	96.3	Very high	90.6	Very high	1 Å²	1	70.2 Å²	70.2	1%	0.005	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-6	171.8	-69.2	-175.5	169.8	0	0	113.3	C553 H555 H567 V575 P576 K577 W581	C553-E579 HydrophobicContact CB-CG 4.33Å; H555-E579 HydrophobicContact CB-CG 3.68Å; H567-E579 IonicContact CE1-OE1 3.74Å; H567-E579 IonicContact CG-OE1 3.24Å; H567-E579 IonicContact CG-OE2 3.96Å; H567-E579 PolarHBondContact N-OE2 3.05Å; H567-E579 IonicContact ND1-OE1 3.3Å; H567-E579 PolarHBondContact ND1-OE1 2.04Å; H567-E579 IonicContact ND1-OE2 3.34Å; H567-E579 PolarHBondContact ND1-OE2 3.42Å; V575-E579 HydrophobicContact CG1-CB 3.96Å; P576-E579 HydrophobicContact CG-CB 3.92Å; P576-E579 HydrophobicContact CG-CG 3.89Å; P576-E579 CarbonylContact O-C 3.54Å; P576-E579 PolarHBondContact O-N 2.7Å; K577-E579 VanDerWaalsContact C-N 3.32Å; E579-W581 PolarHBondContact O-NE1 3.24Å
580	E	96.8	Very high	91.2	Very high	32 Å²	32	71 Å²	71	15%	0.15	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-87.2	123.8	179.9	-171.3	-173.1	179.2	0	0	111	R542 V575 P576 K577 S592	R542-E580 HydrophobicContact CB-CG 4.09Å; V575-E580 HydrophobicContact CG1-CB 3.97Å; P576-E580 PolarHBondContact O-N 3.11Å; K577-E580 VanDerWaalsContact CD-OE2 3.31Å; K577-E580 WeakPolarHBondContact CD-OE2 3.28Å; K577-E580 WeakPolarHBondContact CE-OE2 3.18Å; K577-E580 IonicContact NZ-OE1 3.76Å; K577-E580 IonicContact NZ-OE2 3.97Å; K577-E580 PolarHBondContact NZ-OE2 2.64Å; E580-S592 WeakPolarHBondContact CG-OG 3.43Å; E580-S592 WeakPolarHBondContact O-CB 3.26Å; E580-S592 PolarHBondContact O-N 3.37Å; E580-S592 PolarHBondContact O-OG 3.02Å
581	W	97.1	Very high	92	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.6	-176.2	-59.3	90.5	0	0	0	111.7	Y538 R542 L544 L554 V556 L561 E579 I589 R590 N591 M607	Y538-W581 HydrophobicContact CE2-CB 4.23Å; Y538-W581 VanDerWaalsContact CE2-O 3.31Å; Y538-W581 WeakPolarHBondContact CE2-O 3.46Å; Y538-W581 PolarHBondContact OH-O 3.35Å; R542-W581 PolarHBondContact O-N 3.15Å; L544-W581 HydrophobicContact CB-CG 4.43Å; L544-W581 HydrophobicContact CD1-CB 4.04Å; L544-W581 HydrophobicContact CD1-CD2 3.95Å; L544-W581 HydrophobicContact CD1-CE3 4.5Å; L544-W581 HydrophobicContact CD1-CG 3.71Å; L544-W581 HydrophobicContact CG-CB 4.22Å; L544-W581 HydrophobicContact CG-CG 4.03Å; L554-W581 HydrophobicContact CB-CZ2 4.11Å; L554-W581 HydrophobicContact CD2-CH2 3.99Å; L554-W581 HydrophobicContact CD2-CZ2 3.66Å; L554-W581 HydrophobicContact CG-CH2 4.28Å; L554-W581 HydrophobicContact CG-CZ2 3.63Å; L554-W581 PolarHBondContact O-NE1 3.35Å; V556-W581 HydrophobicContact CG2-CH2 3.57Å; V556-W581 HydrophobicContact CG2-CZ2 3.96Å; V556-W581 HydrophobicContact CG2-CZ3 4.43Å; L561-W581 HydrophobicContact CD1-CH2 3.66Å; L561-W581 HydrophobicContact CD1-CZ2 4.11Å; E579-W581 PolarHBondContact O-NE1 3.24Å; W581-I589 HydrophobicContact CD2-CG2 4.21Å; W581-I589 HydrophobicContact CE3-CG2 3.51Å; W581-I589 HydrophobicContact CZ3-CG2 4.04Å; W581-R590 CarbonylContact C-O 3.51Å; W581-R590 WeakPolarHBondContact CA-O 3.46Å; W581-N591 HydrophobicContact CE3-CB 3.89Å; W581-N591 HydrophobicContact CH2-CB 4.06Å; W581-N591 HydrophobicContact CZ3-CB 3.67Å; W581-M607 HydrophobicContact CH2-CE 4.18Å; W581-M607 HydrophobicContact CH2-SD 3.94Å; W581-M607 HydrophobicContact CZ3-CE 3.98Å; W581-M607 HydrophobicContact CZ3-SD 4.17Å
582	E	96.4	Very high	93.2	Very high	74 Å²	74	63.4 Å²	63.4	35%	0.346	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	120.1	172.8	-178.2	178	-151.7	0	0	109.3	T584 R590	E582-T584 HydrophobicContact CG-CG2 4.29Å; E582-R590 HydrophobicContact CB-CB 4.38Å; E582-R590 PolarHBondContact N-O 3.45Å; E582-R590 PolarHBondContact O-N 3.48Å; E582-R590 IonicContact OE2-NH1 3.9Å
583	L	94.6	Very high	94.2	Very high	47 Å²	47	57.1 Å²	57.1	25%	0.246	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	107.1	167.5	-74.6	162.9	0	0	0	108.3	F497 Y538 L588 I589 F621	F497-L583 HydrophobicContact CD2-CD1 3.48Å; F497-L583 VanDerWaalsContact CD2-CD1 3.48Å; F497-L583 HydrophobicContact CE2-CD1 3.76Å; Y538-L583 HydrophobicContact CD1-CD1 3.34Å; Y538-L583 HydrophobicContact CD1-CG 4.49Å; Y538-L583 HydrophobicContact CD2-CD1 4.02Å; Y538-L583 HydrophobicContact CE1-CD1 3.53Å; Y538-L583 HydrophobicContact CE1-CG 4.33Å; Y538-L583 HydrophobicContact CE2-CD1 4.16Å; Y538-L583 HydrophobicContact CE2-CG 4.44Å; Y538-L583 HydrophobicContact CG-CD1 3.59Å; L583-L588 WeakPolarHBondContact CA-O 3.49Å; L583-I589 HydrophobicContact CD2-CD1 4.22Å; L583-I589 HydrophobicContact CD2-CG1 3.62Å; L583-F621 HydrophobicContact CD1-CE2 4.06Å; L583-F621 HydrophobicContact CD2-CE2 4.19Å
584	T	93.1	Very high	94.6	Very high	37 Å²	37	58.2 Å²	58.2	23%	0.227	30%	0.302	C	S	.	.			trans	-80.8	161.7	-178	74.1	0	0	0	0	111.6	E582 D586 Q587 L588	E582-T584 HydrophobicContact CG-CG2 4.29Å; T584-D586 PolarHBondContact O-N 3.43Å; T584-D586 PolarHBondContact OG1-N 3.32Å; T584-Q587 PolarHBondContact O-N 3.44Å; T584-Q587 VanDerWaalsContact O-N 3.08Å; T584-L588 HydrophobicContact CG2-CB 4.24Å; T584-L588 PolarHBondContact N-O 2.91Å; T584-L588 WeakPolarHBondContact OG1-CB 3.35Å; T584-L588 PolarHBondContact OG1-N 2.86Å
585	Q	89.8	Confident	94.8	Very high	194 Å²	194	51.4 Å²	51.4	91%	0.907	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.6	174.5	-68.4	-178.4	-13.4	0	0	112.4	Q587	Q585-Q587 PolarHBondContact O-N 3.11Å
586	D	91.1	Very high	95	Very high	99 Å²	99	52 Å²	52	53%	0.529	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	18.8	176.4	-53.7	-47.1	0	0	0	113.2	T584 L588 P612 L618	T584-D586 PolarHBondContact O-N 3.43Å; T584-D586 PolarHBondContact OG1-N 3.32Å; D586-L588 PolarHBondContact O-N 3.11Å; D586-P612 HydrophobicContact CB-CB 4.19Å; D586-L618 WeakPolarHBondContact O-CD2 3.28Å
587	Q	93.9	Very high	95.1	Very high	76 Å²	76	50.2 Å²	50.2	36%	0.355	27%	0.27	S	S	.	.	S	Bend	trans	61.6	22.8	177.6	-56	172.4	40.6	0	0	114.7	T584 Q585 L618 W619 L620	T584-Q587 PolarHBondContact O-N 3.44Å; T584-Q587 VanDerWaalsContact O-N 3.08Å; Q585-Q587 PolarHBondContact O-N 3.11Å; Q587-L618 HydrophobicContact CB-CD2 4.41Å; Q587-W619 PolarHBondContact O-N 2.88Å; Q587-L620 HydrophobicContact CG-CD2 4.12Å
588	L	96.8	Very high	95.2	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.042	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-86.1	144.3	172.4	-56.1	175.6	0	0	0	110.3	L583 T584 D586 C610 P612 Q617 L618	L583-L588 WeakPolarHBondContact CA-O 3.49Å; T584-L588 HydrophobicContact CG2-CB 4.24Å; T584-L588 PolarHBondContact N-O 2.91Å; T584-L588 WeakPolarHBondContact OG1-CB 3.35Å; T584-L588 PolarHBondContact OG1-N 2.86Å; D586-L588 PolarHBondContact O-N 3.11Å; L588-C610 HydrophobicContact CD1-CB 4.32Å; L588-P612 HydrophobicContact CD1-CB 4.44Å; L588-P612 HydrophobicContact CD1-CG 4.02Å; L588-Q617 HydrophobicContact CD2-CB 3.63Å; L588-Q617 WeakPolarHBondContact CD2-O 3.23Å; L588-L618 HydrophobicContact CD2-CD2 4.02Å
589	I	97.4	Very high	95.2	Very high	1 Å²	1	42 Å²	42	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	98.6	168.2	-63	179.1	0	0	0	107.4	I501 L544 W581 L583 C597 L598 W619	I501-I589 HydrophobicContact CG2-CD1 3.78Å; L544-I589 HydrophobicContact CD1-CG2 3.74Å; W581-I589 HydrophobicContact CD2-CG2 4.21Å; W581-I589 HydrophobicContact CE3-CG2 3.51Å; W581-I589 HydrophobicContact CZ3-CG2 4.04Å; L583-I589 HydrophobicContact CD2-CD1 4.22Å; L583-I589 HydrophobicContact CD2-CG1 3.62Å; I589-C597 WeakPolarHBondContact O-CA 3.19Å; I589-L598 HydrophobicContact CB-CB 4.05Å; I589-L598 HydrophobicContact CB-CD2 4.45Å; I589-L598 HydrophobicContact CD1-CD2 4.16Å; I589-L598 HydrophobicContact CG2-CB 4.23Å; I589-L598 HydrophobicContact CG2-CD2 4.42Å; I589-L598 PolarHBondContact O-N 3.48Å; I589-W619 HydrophobicContact CD1-CB 3.57Å; I589-W619 HydrophobicContact CD1-CD2 4.43Å; I589-W619 HydrophobicContact CD1-CG 3.75Å; I589-W619 HydrophobicContact CG1-CB 3.96Å; I589-W619 HydrophobicContact CG1-CG 4.14Å
590	R	97.1	Very high	95.1	Very high	104 Å²	104	42 Å²	42	39%	0.392	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.6	-176.2	-175.2	-179.1	-175.1	-158	1.8	111	W581 E582 G595	W581-R590 CarbonylContact C-O 3.51Å; W581-R590 WeakPolarHBondContact CA-O 3.46Å; E582-R590 HydrophobicContact CB-CB 4.38Å; E582-R590 PolarHBondContact N-O 3.45Å; E582-R590 PolarHBondContact O-N 3.48Å; E582-R590 IonicContact OE2-NH1 3.9Å; R590-G595 PolarHBondContact NE-O 3.41Å
591	N	97.2	Very high	94.5	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	132.4	172	-175.4	-95.8	0	0	0	110.7	V556 D578 W581 G593 S594 G595 T596 M607	V556-N591 HydrophobicContact CG2-CB 3.89Å; D578-N591 PolarHBondContact O-ND2 3.21Å; W581-N591 HydrophobicContact CE3-CB 3.89Å; W581-N591 HydrophobicContact CH2-CB 4.06Å; W581-N591 HydrophobicContact CZ3-CB 3.67Å; N591-G593 PolarHBondContact OD1-N 3.46Å; N591-S594 WeakPolarHBondContact CB-OG 3.37Å; N591-S594 PolarHBondContact OD1-N 3.31Å; N591-S594 PolarHBondContact OD1-OG 3.27Å; N591-G595 VanDerWaalsContact O-CA 3.27Å; N591-G595 WeakPolarHBondContact O-CA 3.43Å; N591-G595 PolarHBondContact O-N 3.28Å; N591-T596 PolarHBondContact N-O 2.93Å; N591-M607 HydrophobicContact CB-CE 3.97Å
592	S	95.1	Very high	93.8	Very high	41 Å²	41	52.5 Å²	52.5	29%	0.287	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-27.2	-175.2	-57.6	0	0	0	0	113.2	E580	E580-S592 WeakPolarHBondContact CG-OG 3.43Å; E580-S592 WeakPolarHBondContact O-CB 3.26Å; E580-S592 PolarHBondContact O-N 3.37Å; E580-S592 PolarHBondContact O-OG 3.02Å
593	G	93.1	Very high	93.1	Very high	47 Å²	47	56.2 Å²	56.2	49%	0.485	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-46.3	-179.5	0	0	0	0	0	113.6	K577 N591	K577-G593 WeakPolarHBondContact O-CA 3.28Å; K577-G593 PolarHBondContact O-N 2.79Å; N591-G593 PolarHBondContact OD1-N 3.46Å
594	S	94.1	Very high	92.9	Very high	52 Å²	52	60.8 Å²	60.8	36%	0.364	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-21.1	179	65.5	0	0	0	0	113.6	N591 T596	N591-S594 WeakPolarHBondContact CB-OG 3.37Å; N591-S594 PolarHBondContact OD1-N 3.31Å; N591-S594 PolarHBondContact OD1-OG 3.27Å; S594-T596 WeakPolarHBondContact CB-OG1 3.19Å; S594-T596 PolarHBondContact O-N 3.19Å; S594-T596 PolarHBondContact OG-N 2.92Å; S594-T596 PolarHBondContact OG-OG1 2.99Å
595	G	94.4	Very high	92.9	Very high	27 Å²	27	59.9 Å²	59.9	28%	0.278	31%	0.313	S	S	.	.			trans	70.5	3	-172.8	0	0	0	0	0	114.6	R590 N591	R590-G595 PolarHBondContact NE-O 3.41Å; N591-G595 VanDerWaalsContact O-CA 3.27Å; N591-G595 WeakPolarHBondContact O-CA 3.43Å; N591-G595 PolarHBondContact O-N 3.28Å
596	T	96	Very high	93.1	Very high	36 Å²	36	51.9 Å²	51.9	22%	0.221	28%	0.281	C	S	.	.			trans	-93	162.8	179.3	55	0	0	0	0	111.9	N591 S594 M607 A608	N591-T596 PolarHBondContact N-O 2.93Å; S594-T596 WeakPolarHBondContact CB-OG1 3.19Å; S594-T596 PolarHBondContact O-N 3.19Å; S594-T596 PolarHBondContact OG-N 2.92Å; S594-T596 PolarHBondContact OG-OG1 2.99Å; T596-M607 WeakPolarHBondContact O-CE 3.26Å; T596-M607 VanDerWaalsContact OG1-CE 3.23Å; T596-M607 WeakPolarHBondContact OG1-CE 3.12Å; T596-A608 VanDerWaalsContact CB-O 3.27Å; T596-A608 WeakPolarHBondContact CB-O 3.17Å
597	C	96.8	Very high	93.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	148.9	-177.4	-73.6	0	0	0	0	112	I589 M607 A608 C610	I589-C597 WeakPolarHBondContact O-CA 3.19Å; C597-M607 WeakPolarHBondContact O-CA 3.49Å; C597-A608 PolarHBondContact N-O 2.91Å; C597-A608 PolarHBondContact O-N 3.32Å; C597-C610 HydrophobicContact CB-CB 3.95Å; C597-C610 WeakPolarHBondContact CB-SG 3.43Å; C597-C610 PolarHBondContact N-SG 2.88Å; C597-C610 VanDerWaalsContact N-SG 3.36Å; C597-C610 WeakPolarHBondContact SG-CB 3.42Å; C597-C610 CovalentContact SG-SG 2.04Å; C597-C610 PolarHBondContact SG-SG 2.72Å
598	L	96.9	Very high	93.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	130.6	172.6	-176.5	68.1	0	0	0	109.8	L561 I589 P605 M607 W619	L561-L598 HydrophobicContact CD1-CD1 3.9Å; L561-L598 HydrophobicContact CD2-CD1 3.46Å; L561-L598 VanDerWaalsContact CD2-CD1 3.46Å; L561-L598 HydrophobicContact CG-CD1 4.3Å; I589-L598 HydrophobicContact CB-CB 4.05Å; I589-L598 HydrophobicContact CB-CD2 4.45Å; I589-L598 HydrophobicContact CD1-CD2 4.16Å; I589-L598 HydrophobicContact CG2-CB 4.23Å; I589-L598 HydrophobicContact CG2-CD2 4.42Å; I589-L598 PolarHBondContact O-N 3.48Å; L598-P605 HydrophobicContact CD1-CB 4.46Å; L598-M607 HydrophobicContact CD1-SD 4.41Å; L598-W619 HydrophobicContact CD2-CD2 4.08Å; L598-W619 HydrophobicContact CD2-CH2 4.17Å; L598-W619 HydrophobicContact CD2-CZ2 3.77Å; L598-W619 HydrophobicContact CG-CH2 4.34Å; L598-W619 HydrophobicContact CG-CZ2 3.62Å; L598-W619 PolarHBondContact O-NE1 3.24Å
599	T	96.3	Very high	93.4	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.031	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	155.6	178.1	-172.6	0	0	0	0	111.5	Q601 P605 A606 A608 H616	T599-Q601 HydrophobicContact CG2-CB 4.04Å; T599-P605 WeakPolarHBondContact O-CA 3.47Å; T599-A606 HydrophobicContact CG2-CB 4.09Å; T599-A606 PolarHBondContact N-O 2.99Å; T599-A606 PolarHBondContact O-N 2.87Å; T599-A608 HydrophobicContact CG2-CB 3.65Å; T599-H616 WeakPolarHBondContact CA-O 3.36Å
600	S	94.3	Very high	93.3	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.014	30%	0.299	C	S	.	.			trans	-98.5	53.2	172.9	71.9	0	0	0	0	112.2	N503 T506 K604 H616	N503-S600 PolarHBondContact ND2-OG 3.21Å; N503-S600 PolarHBondContact OD1-OG 3.36Å; N503-S600 VanDerWaalsContact OD1-OG 3.05Å; T506-S600 WeakPolarHBondContact CG2-OG 3.41Å; S600-K604 CarbonylContact C-O 3.53Å; S600-K604 WeakPolarHBondContact CA-O 3.44Å; S600-H616 PolarHBondContact N-O 3.19Å; S600-H616 WeakPolarHBondContact OG-CB 3.29Å; S600-H616 PolarHBondContact OG-ND1 2.62Å
601	Q	82.9	Confident	93.3	Very high	111 Å²	111	51.3 Å²	51.3	52%	0.519	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-68.1	132.9	-178.2	-171.2	172.2	13.9	0	0	111.3	T599 K603 K604 A606	T599-Q601 HydrophobicContact CG2-CB 4.04Å; Q601-K603 PolarHBondContact O-N 3.27Å; Q601-K603 VanDerWaalsContact O-N 3.13Å; Q601-K604 PolarHBondContact N-O 3.08Å; Q601-K604 VanDerWaalsContact N-O 3.12Å; Q601-K604 PolarHBondContact O-N 3.09Å; Q601-A606 HydrophobicContact CB-CB 4.46Å
602	D	83.1	Confident	93.2	Very high	140 Å²	140	54.4 Å²	54.4	75%	0.749	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	51.4	35.4	-177.8	-58.8	-38.8	0	0	0	114.1	K604	D602-K604 PolarHBondContact O-N 3.15Å
603	K	80.8	Confident	93.2	Very high	153 Å²	153	57.5 Å²	57.5	67%	0.665	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	59.5	26.2	-174.9	-53.7	-178.5	179.3	-179.5	0	113.8	M524 Q601	M524-K603 WeakPolarHBondContact CB-O 3.13Å; M524-K603 WeakPolarHBondContact CG-O 3.5Å; Q601-K603 PolarHBondContact O-N 3.27Å; Q601-K603 VanDerWaalsContact O-N 3.13Å
604	K	90.3	Very high	93.3	Very high	143 Å²	143	57.2 Å²	57.2	62%	0.622	33%	0.328	S	S	*	.	S	Bend	trans	-126.5	143.8	175.3	-66.9	179.1	-177.1	175.2	0	110.4	S600 Q601 D602 A606	S600-K604 CarbonylContact C-O 3.53Å; S600-K604 WeakPolarHBondContact CA-O 3.44Å; Q601-K604 PolarHBondContact N-O 3.08Å; Q601-K604 VanDerWaalsContact N-O 3.12Å; Q601-K604 PolarHBondContact O-N 3.09Å; D602-K604 PolarHBondContact O-N 3.15Å; K604-A606 PolarHBondContact O-N 3.07Å
605	P	94.1	Very high	93.3	Very high	17 Å²	17	57.7 Å²	57.7	11%	0.11	33%	0.33	C	S	.	.			trans	-64.8	127.4	171.3	-21.2	35.1	0	0	0	111.1	L510 L522 M524 L561 L598 T599	L510-P605 HydrophobicContact CD1-CB 3.75Å; L510-P605 HydrophobicContact CD1-CG 3.39Å; L522-P605 HydrophobicContact CB-CB 4.35Å; L522-P605 HydrophobicContact CB-CG 3.96Å; L522-P605 WeakPolarHBondContact O-CD 3.26Å; M524-P605 HydrophobicContact CG-CG 4.26Å; M524-P605 HydrophobicContact SD-CG 3.87Å; L561-P605 HydrophobicContact CD2-CB 3.5Å; L561-P605 VanDerWaalsContact CD2-CB 3.5Å; L598-P605 HydrophobicContact CD1-CB 4.46Å; T599-P605 WeakPolarHBondContact O-CA 3.47Å
606	A	94.3	Very high	93.4	Very high	27 Å²	27	59.7 Å²	59.7	22%	0.223	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	176.4	-180	0	0	0	0	0	111.6	T599 Q601 K604	T599-A606 HydrophobicContact CG2-CB 4.09Å; T599-A606 PolarHBondContact N-O 2.99Å; T599-A606 PolarHBondContact O-N 2.87Å; Q601-A606 HydrophobicContact CB-CB 4.46Å; K604-A606 PolarHBondContact O-N 3.07Å
607	M	95.4	Very high	93.5	Very high	27 Å²	27	58.2 Å²	58.2	13%	0.133	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.4	175.5	-61.9	-55.5	-60.8	0	0	110.5	V556 L561 W581 N591 T596 C597 L598	V556-M607 HydrophobicContact CG1-CG 4.23Å; V556-M607 HydrophobicContact CG2-CE 3.88Å; V556-M607 HydrophobicContact CG2-CG 4Å; V556-M607 HydrophobicContact CG2-SD 3.83Å; L561-M607 HydrophobicContact CB-CG 4.28Å; L561-M607 HydrophobicContact CD1-SD 3.82Å; W581-M607 HydrophobicContact CH2-CE 4.18Å; W581-M607 HydrophobicContact CH2-SD 3.94Å; W581-M607 HydrophobicContact CZ3-CE 3.98Å; W581-M607 HydrophobicContact CZ3-SD 4.17Å; N591-M607 HydrophobicContact CB-CE 3.97Å; T596-M607 WeakPolarHBondContact O-CE 3.26Å; T596-M607 VanDerWaalsContact OG1-CE 3.23Å; T596-M607 WeakPolarHBondContact OG1-CE 3.12Å; C597-M607 WeakPolarHBondContact O-CA 3.49Å; L598-M607 HydrophobicContact CD1-SD 4.41Å
608	A	95.3	Very high	93.5	Very high	17 Å²	17	59.8 Å²	59.8	14%	0.14	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	163.8	178.8	0	0	0	0	0	112.1	T596 C597 T599 C610	T596-A608 VanDerWaalsContact CB-O 3.27Å; T596-A608 WeakPolarHBondContact CB-O 3.17Å; C597-A608 PolarHBondContact N-O 2.91Å; C597-A608 PolarHBondContact O-N 3.32Å; T599-A608 HydrophobicContact CG2-CB 3.65Å; A608-C610 PolarHBondContact O-N 3.19Å
609	P	96.1	Very high	93.5	Very high	109 Å²	109	60.1 Å²	60.1	71%	0.708	33%	0.332	S	S	*	.			trans	-54	135.1	168.8	-24.6	35	0	0	0	111.3	N611 Q617	P609-N611 PolarHBondContact O-N 3.04Å; P609-Q617 PolarHBondContact O-NE2 3.1Å; P609-Q617 PolarHBondContact O-OE1 3.16Å
610	C	96.3	Very high	93.5	Very high	50 Å²	50	63.1 Å²	63.1	34%	0.338	35%	0.347	S	S	.	.			trans	-64.7	123.8	-175	-64.9	0	0	0	0	111.8	L588 C597 A608	L588-C610 HydrophobicContact CD1-CB 4.32Å; C597-C610 HydrophobicContact CB-CB 3.95Å; C597-C610 WeakPolarHBondContact CB-SG 3.43Å; C597-C610 PolarHBondContact N-SG 2.88Å; C597-C610 VanDerWaalsContact N-SG 3.36Å; C597-C610 WeakPolarHBondContact SG-CB 3.42Å; C597-C610 CovalentContact SG-SG 2.04Å; C597-C610 PolarHBondContact SG-SG 2.72Å; A608-C610 PolarHBondContact O-N 3.19Å
611	N	96.3	Very high	93.5	Very high	73 Å²	73	65.1 Å²	65.1	39%	0.39	36%	0.356	S	S	.	.			trans	-135.1	102.3	176.8	-177.5	4.3	0	0	0	110.4	P609 S613 D614	P609-N611 PolarHBondContact O-N 3.04Å; N611-S613 PolarHBondContact O-N 3.27Å; N611-S613 VanDerWaalsContact O-N 3.13Å; N611-S613 WeakPolarHBondContact OD1-CB 3.05Å; N611-S613 PolarHBondContact OD1-N 3.28Å; N611-S613 VanDerWaalsContact OD1-N 3.1Å; N611-D614 HydrophobicContact CB-CB 4.04Å; N611-D614 PolarHBondContact O-N 3.24Å; N611-D614 VanDerWaalsContact O-N 3.09Å
612	P	94.7	Very high	93.8	Very high	65 Å²	65	65.5 Å²	65.5	42%	0.422	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.2	178.9	-21.2	30.4	0	0	0	114.6	D586 L588	D586-P612 HydrophobicContact CB-CB 4.19Å; L588-P612 HydrophobicContact CD1-CB 4.44Å; L588-P612 HydrophobicContact CD1-CG 4.02Å
613	S	95.3	Very high	94.3	Very high	107 Å²	107	61.8 Å²	61.8	75%	0.748	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-10.1	179.8	-55.8	0	0	0	0	113.3	N611 P615	N611-S613 PolarHBondContact O-N 3.27Å; N611-S613 VanDerWaalsContact O-N 3.13Å; N611-S613 WeakPolarHBondContact OD1-CB 3.05Å; N611-S613 PolarHBondContact OD1-N 3.28Å; N611-S613 VanDerWaalsContact OD1-N 3.1Å; S613-P615 WeakPolarHBondContact O-CD 3.12Å
614	D	96	Very high	95.1	Very high	41 Å²	41	56.9 Å²	56.9	22%	0.219	33%	0.329	C	S	.	.			trans	-87.8	111.7	-179.2	-179.3	1.1	0	0	0	110.5	N611 H616 Q617	N611-D614 HydrophobicContact CB-CB 4.04Å; N611-D614 PolarHBondContact O-N 3.24Å; N611-D614 VanDerWaalsContact O-N 3.09Å; D614-H616 PolarHBondContact O-N 2.75Å; D614-H616 VanDerWaalsContact O-N 3.1Å; D614-H616 WeakPolarHBondContact OD1-CB 3.3Å; D614-H616 IonicContact OD1-CD2 3.57Å; D614-H616 IonicContact OD1-CG 3.69Å; D614-H616 PolarHBondContact OD1-N 2.74Å; D614-Q617 HydrophobicContact CB-CB 4.49Å; D614-Q617 HydrophobicContact CB-CG 4.1Å; D614-Q617 PolarHBondContact O-N 3.23Å
615	P	94.9	Very high	95.3	Very high	61 Å²	61	52.2 Å²	52.2	40%	0.396	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-63.3	-19.8	-178.7	28.9	-36.4	0	0	0	113	G505 S613 Q617 L618	G505-P615 WeakPolarHBondContact CA-O 3.37Å; G505-P615 PolarHBondContact N-O 2.85Å; S613-P615 WeakPolarHBondContact O-CD 3.12Å; P615-Q617 PolarHBondContact O-N 3.28Å; P615-L618 PolarHBondContact O-N 3.27Å
616	H	96	Very high	95.4	Very high	69 Å²	69	54.2 Å²	54.2	32%	0.319	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-74	-12.1	174.1	-66.4	-67.5	0	0	0	113.6	N503 T599 S600 D614	N503-H616 PolarHBondContact ND2-O 3.13Å; T599-H616 WeakPolarHBondContact CA-O 3.36Å; S600-H616 PolarHBondContact N-O 3.19Å; S600-H616 WeakPolarHBondContact OG-CB 3.29Å; S600-H616 PolarHBondContact OG-ND1 2.62Å; D614-H616 PolarHBondContact O-N 2.75Å; D614-H616 VanDerWaalsContact O-N 3.1Å; D614-H616 WeakPolarHBondContact OD1-CB 3.3Å; D614-H616 IonicContact OD1-CD2 3.57Å; D614-H616 IonicContact OD1-CG 3.69Å; D614-H616 PolarHBondContact OD1-N 2.74Å
617	Q	97.1	Very high	95.5	Very high	6 Å²	6	55.9 Å²	55.9	3%	0.028	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-101.3	-4	174.2	-58.8	-165.7	23.1	0	0	113.7	L588 P609 D614 P615 W619	L588-Q617 HydrophobicContact CD2-CB 3.63Å; L588-Q617 WeakPolarHBondContact CD2-O 3.23Å; P609-Q617 PolarHBondContact O-NE2 3.1Å; P609-Q617 PolarHBondContact O-OE1 3.16Å; D614-Q617 HydrophobicContact CB-CB 4.49Å; D614-Q617 HydrophobicContact CB-CG 4.1Å; D614-Q617 PolarHBondContact O-N 3.23Å; P615-Q617 PolarHBondContact O-N 3.28Å; Q617-W619 PolarHBondContact O-NE1 3.38Å
618	L	97.3	Very high	95.5	Very high	32 Å²	32	57.9 Å²	57.9	17%	0.168	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-90.4	125.3	-180	-53.8	180	0	0	0	110.7	L504 D586 Q587 L588 P615	L504-L618 HydrophobicContact CB-CB 4.08Å; L504-L618 HydrophobicContact CD1-CB 3.79Å; L504-L618 HydrophobicContact CD1-CD1 4.2Å; L504-L618 HydrophobicContact CG-CB 4.06Å; L504-L618 PolarHBondContact N-O 3.08Å; D586-L618 WeakPolarHBondContact O-CD2 3.28Å; Q587-L618 HydrophobicContact CB-CD2 4.41Å; L588-L618 HydrophobicContact CD2-CD2 4.02Å; P615-L618 PolarHBondContact O-N 3.27Å
619	W	97.3	Very high	95.5	Very high	8 Å²	8	60.8 Å²	60.8	3%	0.03	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141.6	-175.3	-57.2	89.5	0	0	0	112.3	I501 K502 N503 L510 M524 Q587 I589 L598 Q617	I501-W619 HydrophobicContact CG2-CB 4.03Å; I501-W619 HydrophobicContact CG2-CD2 4.31Å; I501-W619 HydrophobicContact CG2-CE3 3.77Å; I501-W619 HydrophobicContact CG2-CG 4.45Å; K502-W619 CarbonylContact O-C 3.57Å; K502-W619 VanDerWaalsContact O-CA 3.29Å; K502-W619 WeakPolarHBondContact O-CA 3.17Å; N503-W619 HydrophobicContact CB-CD2 4.33Å; N503-W619 HydrophobicContact CB-CE3 3.69Å; N503-W619 HydrophobicContact CB-CH2 3.88Å; N503-W619 HydrophobicContact CB-CZ2 4.41Å; N503-W619 HydrophobicContact CB-CZ3 3.5Å; N503-W619 VanDerWaalsContact CB-CZ3 3.5Å; N503-W619 VanDerWaalsContact ND2-CZ2 3.35Å; N503-W619 WeakPolarHBondContact ND2-CZ2 3.46Å; L510-W619 HydrophobicContact CB-CZ3 4.42Å; M524-W619 HydrophobicContact CE-CH2 3.95Å; M524-W619 HydrophobicContact CE-CZ3 3.88Å; M524-W619 HydrophobicContact SD-CH2 3.77Å; M524-W619 HydrophobicContact SD-CZ3 4.12Å; Q587-W619 PolarHBondContact O-N 2.88Å; I589-W619 HydrophobicContact CD1-CB 3.57Å; I589-W619 HydrophobicContact CD1-CD2 4.43Å; I589-W619 HydrophobicContact CD1-CG 3.75Å; I589-W619 HydrophobicContact CG1-CB 3.96Å; I589-W619 HydrophobicContact CG1-CG 4.14Å; L598-W619 HydrophobicContact CD2-CD2 4.08Å; L598-W619 HydrophobicContact CD2-CH2 4.17Å; L598-W619 HydrophobicContact CD2-CZ2 3.77Å; L598-W619 HydrophobicContact CG-CH2 4.34Å; L598-W619 HydrophobicContact CG-CZ2 3.62Å; L598-W619 PolarHBondContact O-NE1 3.24Å; Q617-W619 PolarHBondContact O-NE1 3.38Å
620	L	95.5	Very high	95.4	Very high	67 Å²	67	57.1 Å²	57.1	35%	0.351	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139.7	177.1	-71.5	178.2	0	0	0	111.1	I501 K502 L504 Q587 V622	I501-L620 CarbonylContact C-O 3.59Å; I501-L620 WeakPolarHBondContact CA-O 3.43Å; K502-L620 PolarHBondContact N-O 2.9Å; K502-L620 PolarHBondContact O-N 3.28Å; L504-L620 HydrophobicContact CD1-CD1 4.43Å; L504-L620 HydrophobicContact CD2-CD1 3.71Å; L504-L620 HydrophobicContact CD2-CG 4.24Å; L504-L620 HydrophobicContact CG-CD1 4.44Å; Q587-L620 HydrophobicContact CG-CD2 4.12Å; L620-V622 HydrophobicContact CB-CG1 4.39Å
621	F	93.8	Very high	95.4	Very high	45 Å²	45	57.7 Å²	57.7	20%	0.197	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	127.1	163.8	-82.6	-93	0	0	0	109.5	F497 A500 I501 F536 L544 L583	F497-F621 HydrophobicContact CB-CB 4.28Å; F497-F621 HydrophobicContact CB-CD1 3.91Å; F497-F621 HydrophobicContact CB-CD2 3.8Å; F497-F621 HydrophobicContact CB-CE1 4.15Å; F497-F621 HydrophobicContact CB-CE2 4.06Å; F497-F621 HydrophobicContact CB-CG 3.72Å; F497-F621 HydrophobicContact CB-CZ 4.22Å; F497-F621 HydrophobicContact CG-CD2 4.22Å; F497-F621 HydrophobicContact CG-CG 4.43Å; A500-F621 CarbonylContact O-C 3.59Å; A500-F621 WeakPolarHBondContact O-CA 3.45Å; I501-F621 HydrophobicContact CD1-CE1 4.07Å; I501-F621 HydrophobicContact CD1-CE2 4.42Å; I501-F621 HydrophobicContact CD1-CZ 3.75Å; I501-F621 HydrophobicContact CG1-CD1 4.17Å; I501-F621 HydrophobicContact CG1-CE1 3.69Å; I501-F621 HydrophobicContact CG1-CE2 4.31Å; I501-F621 HydrophobicContact CG1-CZ 3.77Å; F536-F621 HydrophobicContact CB-CE1 4.42Å; L544-F621 HydrophobicContact CD2-CE2 4.42Å; L544-F621 HydrophobicContact CD2-CZ 3.74Å; L583-F621 HydrophobicContact CD1-CE2 4.06Å; L583-F621 HydrophobicContact CD2-CE2 4.19Å
622	V	90.3	Very high	95.3	Very high	118 Å²	118	56.3 Å²	56.3	72%	0.715	33%	0.327	S	S	*	.			trans	-128.2	0	-179.8	-60.8	0	0	0	0	112.9	A500 K502 L620	A500-V622 HydrophobicContact CB-CG2 3.94Å; A500-V622 PolarHBondContact N-O 3.17Å; A500-V622 PolarHBondContact O-N 3.06Å; K502-V622 HydrophobicContact CB-CG1 4.06Å; K502-V622 HydrophobicContact CB-CG2 3.97Å; K502-V622 HydrophobicContact CD-CG1 4.15Å; L620-V622 HydrophobicContact CB-CG1 4.39Å

Retrieved 622 of 622 residues in 365 ms (Link to these results)

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