A0A087XIE1_POEFO Loading...

Antithrombin-III

Most important serine protease inhibitor in plasma that regulates the blood coagulation cascade. AT-III inhibits thrombin, matriptase-3/TMPRSS7, as well as factors IXa, Xa and XIa. Its inhibitory activity is greatly enhanced in the presence of heparin.

AlphaFold DB , UniProt , Accession A0A087XIE1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 449 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.2	Very low	33.7	Very low	242 Å²	242	162.4 Å²	162.4	100%	1.192	86%	0.858	S	S	*	*				0	104	0	-84.9	171.1	129.6	0	0	109.5
2	R	33.6	Very low	33.5	Very low	257 Å²	257	162.9 Å²	162.9	97%	0.97	86%	0.86	S	S	*	*			trans	179.9	111.6	136.6	-100.9	175.7	-175.9	-170.1	1.1	107.9
3	T	34.3	Very low	33.3	Very low	141 Å²	141	162.2 Å²	162.2	87%	0.865	86%	0.856	S	S	*	*			trans	-80.6	153	177.3	37.6	0	0	0	0	110.9
4	T	37.6	Very low	33.2	Very low	131 Å²	131	158 Å²	158	80%	0.804	84%	0.843	S	S	*	*			trans	-60.3	149.1	169.5	38.8	0	0	0	0	113.7
5	S	33.1	Very low	33	Very low	114 Å²	114	159.1 Å²	159.1	80%	0.797	85%	0.848	S	S	*	*				-168.5	132.6	127.7	-95.2	0	0	0	0	113.4
6	C	32.3	Very low	32.9	Very low	106 Å²	106	159.1 Å²	159.1	72%	0.716	85%	0.847	S	S	*	*			trans	-78.9	134.8	174.8	-174.1	0	0	0	0	109.8
7	W	30.2	Very low	32.7	Very low	237 Å²	237	156.2 Å²	156.2	90%	0.898	84%	0.842	S	S	*	*			trans	-138.3	119.8	158	-84.5	80.3	0	0	0	109.7
8	L	32.4	Very low	32.7	Very low	142 Å²	142	153 Å²	153	74%	0.743	83%	0.834	S	S	*	*			trans	-63.8	129.9	173.5	-76.2	95.8	0	0	0	110.5
9	L	32.3	Very low	32.8	Very low	176 Å²	176	149.4 Å²	149.4	92%	0.921	83%	0.827	S	S	*	*			trans	-98.3	98.8	160.1	-98.9	143.8	0	0	0	107.8	A11	L9-A11 PolarHBondContact O-N 2.93Å
10	L	32.4	Very low	33.2	Very low	149 Å²	149	150.6 Å²	150.6	78%	0.78	83%	0.826	S	S	*	*			trans	-66.3	112.7	165.8	-97.6	126.2	0	0	0	108.6	L12	L10-L12 PolarHBondContact O-N 3.26Å
11	A	32.9	Very low	33.9	Very low	91 Å²	91	151.5 Å²	151.5	75%	0.752	83%	0.829	S	S	*	*			trans	-71.1	104	168	0	0	0	0	0	109.1	L9 L13	L9-A11 PolarHBondContact O-N 2.93Å; A11-L13 PolarHBondContact O-N 2.84Å
12	L	31.4	Very low	34.8	Very low	169 Å²	169	144.5 Å²	144.5	89%	0.885	80%	0.795	S	S	*	*			trans	-74.1	96.2	163.8	-83.4	154.6	0	0	0	108	L10	L10-L12 PolarHBondContact O-N 3.26Å
13	L	31.6	Very low	36.8	Very low	153 Å²	153	136.2 Å²	136.2	80%	0.801	77%	0.771	S	S	*	*			trans	-67.8	131.3	162.4	-80	157.7	0	0	0	108.3	A11 L15	A11-L13 PolarHBondContact O-N 2.84Å; L13-L15 PolarHBondContact O-N 3.42Å
14	P	32.2	Very low	39	Very low	104 Å²	104	130.6 Å²	130.6	68%	0.675	74%	0.735	S	S	*	*			trans	-69.3	121.6	170.3	29.4	-29	0	0	0	107.3	L16	P14-L16 PolarHBondContact O-N 2.62Å
15	L	29.8	Very low	41.1	Very low	175 Å²	175	127.1 Å²	127.1	92%	0.916	72%	0.716	S	S	*	*			trans	-60.1	91.6	162	-84.4	152.5	0	0	0	107.3	L13 S17	L13-L15 PolarHBondContact O-N 3.42Å; L15-S17 VanDerWaalsContact C-N 3.25Å; L15-S17 PolarHBondContact O-N 3.07Å
16	L	30.9	Very low	43.5	Very low	159 Å²	159	125.9 Å²	125.9	83%	0.832	71%	0.707	S	S	*	*			trans	-61.4	95.3	160.6	-83.7	153.5	0	0	0	106.4	P14 S18	P14-L16 PolarHBondContact O-N 2.62Å; L16-S18 VanDerWaalsContact C-N 3.27Å; L16-S18 PolarHBondContact O-N 2.78Å
17	S	29.6	Very low	46	Very low	110 Å²	110	121.1 Å²	121.1	77%	0.769	68%	0.675	S	S	*	*			trans	-60.6	97	161	176.5	0	0	0	0	107	L15 A19	L15-S17 VanDerWaalsContact C-N 3.25Å; L15-S17 PolarHBondContact O-N 3.07Å; S17-A19 PolarHBondContact O-N 3.05Å
18	S	32.5	Very low	48.5	Very low	98 Å²	98	117.7 Å²	117.7	69%	0.685	66%	0.662	S	S	*	*			trans	-69.7	82.4	163.8	57.3	0	0	0	0	107.4	L16 Q20	L16-S18 VanDerWaalsContact C-N 3.27Å; L16-S18 PolarHBondContact O-N 2.78Å; S18-Q20 PolarHBondContact O-N 3.11Å
19	A	34.4	Very low	50.7	Low	85 Å²	85	112.8 Å²	112.8	70%	0.702	64%	0.638	S	S	*	*			trans	-63.5	91.3	158.7	0	0	0	0	0	106.3	S17 L21	S17-A19 PolarHBondContact O-N 3.05Å; A19-L21 PolarHBondContact O-N 2.01Å
20	Q	40.8	Very low	53	Low	173 Å²	173	114.1 Å²	114.1	81%	0.808	64%	0.637	S	S	*	*			trans	-58.1	111.2	166.8	-76.1	175.7	-16.8	0	0	106	S18 L22	S18-Q20 PolarHBondContact O-N 3.11Å; Q20-L22 PolarHBondContact O-N 2.99Å
21	L	48.3	Very low	55.3	Low	169 Å²	169	110.4 Å²	110.4	89%	0.885	62%	0.618	S	S	*	*			trans	-53.5	113.9	169.8	-118.2	118.8	0	0	0	106.7	A19 D23	A19-L21 PolarHBondContact O-N 2.01Å; L21-D23 PolarHBondContact O-N 2.82Å
22	L	57.8	Low	57.5	Low	95 Å²	95	107.5 Å²	107.5	50%	0.497	59%	0.589	S	S	.	*			trans	-60	121.6	-179.2	-160.4	87.1	0	0	0	108	Q20 I24 A27 D31 L32	Q20-L22 PolarHBondContact O-N 2.99Å; L22-I24 PolarHBondContact O-N 3.48Å; L22-I24 VanDerWaalsContact O-N 3.08Å; L22-A27 HydrophobicContact CD2-CB 3.71Å; L22-A27 HydrophobicContact CG-CB 4.43Å; L22-D31 HydrophobicContact CD2-CB 4.39Å; L22-L32 HydrophobicContact CD2-CD1 4.23Å; L22-L32 HydrophobicContact CD2-CD2 3.41Å; L22-L32 VanDerWaalsContact CD2-CD2 3.41Å; L22-L32 HydrophobicContact CD2-CG 3.74Å
23	D	75.3	Confident	59.9	Low	84 Å²	84	103.8 Å²	103.8	45%	0.449	58%	0.583	S	S	.	*			trans	-71.2	105.9	176.5	167.7	35.1	0	0	0	109.7	L21 C25 S26 A27	L21-D23 PolarHBondContact O-N 2.82Å; D23-C25 PolarHBondContact O-N 3.48Å; D23-C25 VanDerWaalsContact O-N 3.08Å; D23-C25 VanDerWaalsContact OD1-CB 3.24Å; D23-C25 WeakPolarHBondContact OD1-CB 3.35Å; D23-C25 PolarHBondContact OD1-N 3.03Å; D23-S26 WeakPolarHBondContact CB-OG 3.34Å; D23-S26 PolarHBondContact O-N 3.41Å; D23-S26 PolarHBondContact O-OG 2.99Å; D23-S26 VanDerWaalsContact O-OG 3.13Å; D23-S26 WeakPolarHBondContact OD2-CB 3.45Å; D23-S26 PolarHBondContact OD2-N 3.44Å; D23-S26 PolarHBondContact OD2-OG 3.39Å; D23-A27 PolarHBondContact O-N 2.89Å
24	I	81	Confident	62.4	Low	22 Å²	22	96.7 Å²	96.7	11%	0.113	55%	0.546	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-28.5	178.5	-170.2	62.8	0	0	0	112	L22 S26 L32 F137 A140 K141 T180	L22-I24 PolarHBondContact O-N 3.48Å; L22-I24 VanDerWaalsContact O-N 3.08Å; I24-S26 VanDerWaalsContact C-N 3.29Å; I24-S26 PolarHBondContact O-N 2.81Å; I24-L32 HydrophobicContact CD1-CD1 3.23Å; I24-F137 HydrophobicContact CD1-CD2 4.05Å; I24-F137 HydrophobicContact CD1-CE2 4.29Å; I24-A140 HydrophobicContact CD1-CB 4.47Å; I24-A140 HydrophobicContact CG1-CB 3.65Å; I24-K141 WeakPolarHBondContact O-CE 3.46Å; I24-K141 PolarHBondContact O-NZ 2.74Å; I24-T180 HydrophobicContact CD1-CG2 4.26Å
25	C	82.8	Confident	64.9	Low	59 Å²	59	99.2 Å²	99.2	40%	0.399	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-25.2	179.4	-58	0	0	0	0	113.1	D23 K141 C144	D23-C25 PolarHBondContact O-N 3.48Å; D23-C25 VanDerWaalsContact O-N 3.08Å; D23-C25 VanDerWaalsContact OD1-CB 3.24Å; D23-C25 WeakPolarHBondContact OD1-CB 3.35Å; D23-C25 PolarHBondContact OD1-N 3.03Å; C25-K141 PolarHBondContact O-NZ 3.33Å; C25-C144 WeakPolarHBondContact CA-SG 3.3Å; C25-C144 HydrophobicContact CB-CB 3.6Å; C25-C144 WeakPolarHBondContact CB-SG 3.1Å; C25-C144 WeakPolarHBondContact SG-CB 3.12Å; C25-C144 CovalentContact SG-SG 2.03Å; C25-C144 PolarHBondContact SG-SG 3.05Å
26	S	83.2	Confident	67.5	Low	87 Å²	87	91.8 Å²	91.8	61%	0.608	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-15.8	176.4	51.6	0	0	0	0	114.4	D23 I24	D23-S26 WeakPolarHBondContact CB-OG 3.34Å; D23-S26 PolarHBondContact O-N 3.41Å; D23-S26 PolarHBondContact O-OG 2.99Å; D23-S26 VanDerWaalsContact O-OG 3.13Å; D23-S26 WeakPolarHBondContact OD2-CB 3.45Å; D23-S26 PolarHBondContact OD2-N 3.44Å; D23-S26 PolarHBondContact OD2-OG 3.39Å; I24-S26 VanDerWaalsContact C-N 3.29Å; I24-S26 PolarHBondContact O-N 2.81Å
27	A	85.3	Confident	70.2	Confident	7 Å²	7	89.9 Å²	89.9	6%	0.058	50%	0.498	C	S	.	.			trans	-62.6	158.1	179.3	0	0	0	0	0	114.7	L22 D23 L32 F137 K141	L22-A27 HydrophobicContact CD2-CB 3.71Å; L22-A27 HydrophobicContact CG-CB 4.43Å; D23-A27 PolarHBondContact O-N 2.89Å; A27-L32 HydrophobicContact CB-CD1 3.95Å; A27-L32 HydrophobicContact CB-CG 4.49Å; A27-F137 WeakPolarHBondContact O-CZ 3.47Å; A27-K141 WeakPolarHBondContact O-CE 3.24Å; A27-K141 PolarHBondContact O-NZ 3.18Å
28	R	82.4	Confident	73.1	Confident	165 Å²	165	86.3 Å²	86.3	62%	0.623	47%	0.472	S	S	*	.			trans	-105.9	159.2	167.6	-57.9	172.2	-64.9	-174.9	2.5	109.9	K30 D31	R28-K30 PolarHBondContact O-N 3.48Å; R28-K30 VanDerWaalsContact O-N 3.12Å; R28-D31 WeakPolarHBondContact CA-OD2 3.32Å; R28-D31 WeakPolarHBondContact CB-OD2 3.45Å; R28-D31 IonicContact CZ-OD1 3.81Å; R28-D31 PolarHBondContact N-OD2 2.87Å; R28-D31 IonicContact NE-OD1 3.56Å; R28-D31 IonicContact NE-OD2 3.25Å; R28-D31 PolarHBondContact NE-OD2 2.68Å; R28-D31 IonicContact NH2-OD1 3.17Å; R28-D31 PolarHBondContact NH2-OD1 3.27Å; R28-D31 IonicContact NH2-OD2 3.94Å; R28-D31 WeakPolarHBondContact O-CB 3.4Å; R28-D31 PolarHBondContact O-N 3.35Å
29	P	78.1	Confident	75.9	Confident	38 Å²	38	85.2 Å²	85.2	25%	0.247	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-55.1	-36	-178.5	-24.6	31.6	0	0	0	113.7	D31 L32 M134 F137	P29-D31 PolarHBondContact O-N 2.98Å; P29-L32 PolarHBondContact O-N 2.88Å; P29-M134 HydrophobicContact CB-SD 4.49Å; P29-F137 HydrophobicContact CB-CD1 4.49Å; P29-F137 HydrophobicContact CB-CE1 4.48Å; P29-F137 VanDerWaalsContact CD-CZ 3.42Å; P29-F137 HydrophobicContact CG-CD1 3.79Å; P29-F137 HydrophobicContact CG-CE1 3.49Å; P29-F137 VanDerWaalsContact CG-CE1 3.49Å; P29-F137 HydrophobicContact CG-CE2 4.39Å; P29-F137 HydrophobicContact CG-CG 4.36Å; P29-F137 HydrophobicContact CG-CZ 3.79Å
30	K	80.4	Confident	78.5	Confident	204 Å²	204	82.2 Å²	82.2	89%	0.887	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-72.3	-17.1	-179.9	-62.6	-175.2	177.8	-173.8	0	114	R28 L32	R28-K30 PolarHBondContact O-N 3.48Å; R28-K30 VanDerWaalsContact O-N 3.12Å; K30-L32 PolarHBondContact O-N 2.81Å
31	D	81	Confident	80.7	Confident	71 Å²	71	79 Å²	79	38%	0.38	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-81.5	-7.7	-178.2	-52	-33.1	0	0	0	110.8	L22 R28 P29	L22-D31 HydrophobicContact CD2-CB 4.39Å; R28-D31 WeakPolarHBondContact CA-OD2 3.32Å; R28-D31 WeakPolarHBondContact CB-OD2 3.45Å; R28-D31 IonicContact CZ-OD1 3.81Å; R28-D31 PolarHBondContact N-OD2 2.87Å; R28-D31 IonicContact NE-OD1 3.56Å; R28-D31 IonicContact NE-OD2 3.25Å; R28-D31 PolarHBondContact NE-OD2 2.68Å; R28-D31 IonicContact NH2-OD1 3.17Å; R28-D31 PolarHBondContact NH2-OD1 3.27Å; R28-D31 IonicContact NH2-OD2 3.94Å; R28-D31 WeakPolarHBondContact O-CB 3.4Å; R28-D31 PolarHBondContact O-N 3.35Å; P29-D31 PolarHBondContact O-N 2.98Å
32	L	79.8	Confident	82.1	Confident	30 Å²	30	73.6 Å²	73.6	16%	0.157	39%	0.389	C	S	.	.	S	Bend	trans	-134.2	134.9	-174.9	-66.4	168.7	0	0	0	111.1	L22 I24 A27 P29 K30 L34 F137 T180	L22-L32 HydrophobicContact CD2-CD1 4.23Å; L22-L32 HydrophobicContact CD2-CD2 3.41Å; L22-L32 VanDerWaalsContact CD2-CD2 3.41Å; L22-L32 HydrophobicContact CD2-CG 3.74Å; I24-L32 HydrophobicContact CD1-CD1 3.23Å; A27-L32 HydrophobicContact CB-CD1 3.95Å; A27-L32 HydrophobicContact CB-CG 4.49Å; P29-L32 PolarHBondContact O-N 2.88Å; K30-L32 PolarHBondContact O-N 2.81Å; L32-L34 HydrophobicContact CB-CD1 3.83Å; L32-L34 HydrophobicContact CB-CD2 3.9Å; L32-L34 HydrophobicContact CB-CG 3.55Å; L32-L34 HydrophobicContact CD1-CD1 3.92Å; L32-L34 HydrophobicContact CD1-CG 4.44Å; L32-L34 PolarHBondContact O-N 3.05Å; L32-L34 VanDerWaalsContact O-N 3.08Å; L32-F137 HydrophobicContact CD1-CD2 4.47Å; L32-T180 HydrophobicContact CD1-CG2 4.3Å; L32-T180 HydrophobicContact CD2-CG2 4.15Å
33	A	81.4	Confident	82.9	Confident	91 Å²	91	73.7 Å²	73.7	75%	0.752	40%	0.395	S	S	*	.			trans	-81.8	81.7	172.4	0	0	0	0	0	109.9
34	L	83.6	Confident	82.1	Confident	5 Å²	5	77.3 Å²	77.3	3%	0.026	42%	0.415	C	S	.	.			trans	-108.4	22.3	-176.5	-51.7	177.7	0	0	0	113	L32 M134 F137 I177 V181	L32-L34 HydrophobicContact CB-CD1 3.83Å; L32-L34 HydrophobicContact CB-CD2 3.9Å; L32-L34 HydrophobicContact CB-CG 3.55Å; L32-L34 HydrophobicContact CD1-CD1 3.92Å; L32-L34 HydrophobicContact CD1-CG 4.44Å; L32-L34 PolarHBondContact O-N 3.05Å; L32-L34 VanDerWaalsContact O-N 3.08Å; L34-M134 HydrophobicContact CB-SD 4.27Å; L34-F137 HydrophobicContact CD1-CB 3.85Å; L34-F137 HydrophobicContact CD1-CD2 3.84Å; L34-F137 HydrophobicContact CD1-CG 4.32Å; L34-I177 HydrophobicContact CD2-CB 4.43Å; L34-I177 HydrophobicContact CD2-CG1 4.06Å; L34-I177 HydrophobicContact CD2-CG2 3.98Å; L34-V181 HydrophobicContact CD1-CG2 4.15Å; L34-V181 HydrophobicContact CD2-CG2 4.03Å
35	E	83.6	Confident	80.8	Confident	156 Å²	156	81 Å²	81	73%	0.729	44%	0.44	S	S	*	.			trans	-67.8	129.1	-178.2	-65.2	-176.8	175.2	0	0	110.1	M134	E35-M134 HydrophobicContact CG-CE 4.23Å
36	P	86.1	Confident	79.2	Confident	19 Å²	19	83.5 Å²	83.5	12%	0.123	45%	0.449	C	S	.	.			trans	-73.4	161.7	178.1	33	-36.5	0	0	0	110.8	C38 V39 L108	P36-C38 VanDerWaalsContact C-N 3.33Å; P36-C38 WeakPolarHBondContact CB-O 2.99Å; P36-C38 WeakPolarHBondContact CG-O 3.07Å; P36-C38 PolarHBondContact O-N 2.89Å; P36-V39 HydrophobicContact CG-CG1 3.84Å; P36-L108 HydrophobicContact CB-CD1 4.13Å
37	H	86.6	Confident	77.5	Confident	120 Å²	120	84.9 Å²	84.9	56%	0.556	46%	0.456	S	S	*	.	S	Bend	trans	-64.5	-39.3	176.9	-167.1	81.3	0	0	0	112.1
38	C	91.4	Very high	75.5	Confident	35 Å²	35	91.7 Å²	91.7	24%	0.236	49%	0.492	C	S	.	.	S	Bend	trans	-126.4	149.1	173.8	-67.5	0	0	0	0	110.7	P36 C111 L115	P36-C38 VanDerWaalsContact C-N 3.33Å; P36-C38 WeakPolarHBondContact CB-O 2.99Å; P36-C38 WeakPolarHBondContact CG-O 3.07Å; P36-C38 PolarHBondContact O-N 2.89Å; C38-C111 HydrophobicContact CB-CB 3.86Å; C38-C111 WeakPolarHBondContact CB-SG 3.47Å; C38-C111 WeakPolarHBondContact SG-CB 3.38Å; C38-C111 CovalentContact SG-SG 2.03Å; C38-C111 PolarHBondContact SG-SG 2.79Å; C38-L115 HydrophobicContact CB-CD2 3.99Å
39	V	90.3	Very high	73.8	Confident	75 Å²	75	91.7 Å²	91.7	46%	0.455	50%	0.499	S	S	.	.			trans	-113.8	144.2	175.9	-67	0	0	0	0	110.5	P36 D133	P36-V39 HydrophobicContact CG-CG1 3.84Å; V39-D133 WeakPolarHBondContact CG1-OD1 3.38Å
40	Y	88.6	Confident	72.1	Confident	21 Å²	21	94 Å²	94	8%	0.082	52%	0.521	C	S	.	.			trans	-95.9	138.1	175.8	177.3	-99.1	0	0	0	110.2	E116 M119 D125	Y40-E116 HydrophobicContact CE2-CB 4.12Å; Y40-E116 HydrophobicContact CE2-CG 4Å; Y40-M119 HydrophobicContact CD1-CB 4.08Å; Y40-M119 HydrophobicContact CD1-CE 3.72Å; Y40-M119 HydrophobicContact CD1-CG 3.92Å; Y40-M119 HydrophobicContact CD2-CB 4.19Å; Y40-M119 HydrophobicContact CD2-CG 3.96Å; Y40-M119 HydrophobicContact CE1-CB 4.15Å; Y40-M119 HydrophobicContact CE1-CE 4.44Å; Y40-M119 HydrophobicContact CE1-CG 4.49Å; Y40-M119 HydrophobicContact CE2-CB 4.28Å; Y40-M119 HydrophobicContact CG-CB 4.09Å; Y40-M119 HydrophobicContact CG-CE 4.18Å; Y40-M119 HydrophobicContact CG-CG 3.6Å; Y40-D125 HydrophobicContact CE1-CB 3.86Å
41	R	88.1	Confident	70.5	Confident	106 Å²	106	89.9 Å²	89.9	40%	0.4	51%	0.509	S	S	.	.			trans	-127.8	127.3	171	-62.8	-67.4	175.5	-99.3	6.3	107.4	E129 D133	R41-E129 VanDerWaalsContact CD-OE1 3.31Å; R41-E129 WeakPolarHBondContact CD-OE1 3.43Å; R41-D133 IonicContact CZ-OD1 3.53Å; R41-D133 IonicContact CZ-OD2 3.54Å; R41-D133 IonicContact NH1-OD1 2.7Å; R41-D133 PolarHBondContact NH1-OD1 3.36Å; R41-D133 IonicContact NH1-OD2 3.44Å; R41-D133 PolarHBondContact NH1-OD2 3.09Å; R41-D133 IonicContact NH2-OD1 3.43Å; R41-D133 PolarHBondContact NH2-OD1 3.05Å; R41-D133 IonicContact NH2-OD2 2.78Å; R41-D133 PolarHBondContact NH2-OD2 2.91Å
42	S	77.6	Confident	68.8	Low	56 Å²	56	94.5 Å²	94.5	39%	0.392	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-67.3	144.4	174.5	-172	0	0	0	0	108.7
43	P	73.4	Confident	67.2	Low	96 Å²	96	99.3 Å²	99.3	62%	0.623	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-52	143.3	156.6	-16.7	29.3	0	0	0	108.6
44	D	59.4	Low	65.9	Low	161 Å²	161	97.5 Å²	97.5	86%	0.861	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-46.2	131	-178	-79.4	-46.1	0	0	0	110.7
45	P	54.8	Low	64.5	Low	100 Å²	100	103 Å²	103	65%	0.649	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-62.7	141.9	-179.9	24.9	-31.7	0	0	0	110.1
46	D	48.1	Very low	63.3	Low	111 Å²	111	99.9 Å²	99.9	59%	0.594	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-57.6	126.8	169.4	-143.7	-21.8	0	0	0	107.5	D48 E49	D46-D48 PolarHBondContact O-N 2.78Å; D46-E49 PolarHBondContact O-N 2.95Å
47	P	46.8	Very low	62	Low	116 Å²	116	100.7 Å²	100.7	75%	0.753	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-11.9	-175.7	15.7	-30	0	0	0	115
48	D	44.8	Very low	60.3	Low	150 Å²	150	106.2 Å²	106.2	80%	0.802	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-7.4	178.2	-68.7	-30.9	0	0	0	114.6	D46 A50	D46-D48 PolarHBondContact O-N 2.78Å; D48-A50 PolarHBondContact O-N 2.93Å
49	E	46.5	Very low	58.7	Low	164 Å²	164	110.7 Å²	110.7	77%	0.766	61%	0.612	S	S	*	*			trans	-95.2	31.7	177.5	-75.6	-165	161.4	0	0	114.1	D46 D51	D46-E49 PolarHBondContact O-N 2.95Å; E49-D51 PolarHBondContact O-N 3.43Å
50	A	41.1	Very low	57.9	Low	87 Å²	87	108.2 Å²	108.2	72%	0.719	60%	0.597	S	S	*	*			trans	-73.2	94.2	171.2	0	0	0	0	0	110.3	D48 E52	D48-A50 PolarHBondContact O-N 2.93Å; A50-E52 PolarHBondContact O-N 2.93Å
51	D	48.5	Very low	57.6	Low	117 Å²	117	111 Å²	111	63%	0.626	61%	0.613	S	S	*	*			trans	-49.6	127.3	171.8	-115.8	-14.5	0	0	0	109.9	E49 R73	E49-D51 PolarHBondContact O-N 3.43Å; D51-R73 IonicContact OD2-NH2 3.94Å; D51-R73 PolarHBondContact OD2-NH2 3.43Å
52	E	45.1	Very low	57.4	Low	168 Å²	168	108.2 Å²	108.2	79%	0.785	61%	0.609	S	S	*	*			trans	-55.4	141.4	176.7	-77.3	-167.4	166.4	0	0	110.8	A50 T54	A50-E52 PolarHBondContact O-N 2.93Å; E52-T54 VanDerWaalsContact C-N 3.35Å; E52-T54 PolarHBondContact O-N 2.71Å
53	P	45.6	Very low	57.8	Low	132 Å²	132	109.7 Å²	109.7	86%	0.857	61%	0.606	S	S	*	*			trans	-65.9	92.5	-178.5	25.4	-32.2	0	0	0	110.9
54	T	53.3	Low	58.4	Low	52 Å²	52	105.6 Å²	105.6	32%	0.319	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-67.9	132.5	168.5	35.2	0	0	0	0	109.3	E52 E56 W65 K69	E52-T54 VanDerWaalsContact C-N 3.35Å; E52-T54 PolarHBondContact O-N 2.71Å; T54-E56 PolarHBondContact O-N 3.35Å; T54-E56 VanDerWaalsContact O-N 3.12Å; T54-W65 WeakPolarHBondContact OG1-CH2 3.38Å; T54-K69 PolarHBondContact OG1-NZ 2.84Å; T54-K69 VanDerWaalsContact OG1-NZ 3.16Å
55	P	55.3	Low	59.7	Low	122 Å²	122	99.4 Å²	99.4	79%	0.792	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-62.3	118.7	-177.4	20.6	-29.5	0	0	0	110.7
56	E	59	Low	61.2	Low	90 Å²	90	96.1 Å²	96.1	42%	0.421	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-62.2	132.2	174.9	-66.1	179.8	173.5	0	0	110.1	T54 R58 P62 W65	T54-E56 PolarHBondContact O-N 3.35Å; T54-E56 VanDerWaalsContact O-N 3.12Å; E56-R58 PolarHBondContact O-N 3.08Å; E56-R58 VanDerWaalsContact O-N 3.07Å; E56-P62 WeakPolarHBondContact OE2-CG 3.43Å; E56-W65 HydrophobicContact CB-CZ3 4.41Å; E56-W65 HydrophobicContact CG-CE3 3.85Å; E56-W65 HydrophobicContact CG-CH2 4.25Å; E56-W65 HydrophobicContact CG-CZ3 3.57Å
57	P	57.5	Low	63.2	Low	35 Å²	35	90.8 Å²	90.8	23%	0.227	49%	0.491	C	S	.	.			trans	-63.6	113.9	173.7	21	-27	0	0	0	109.4	V60 W65	P57-V60 HydrophobicContact CB-CG2 3.97Å; P57-V60 HydrophobicContact CG-CB 4.14Å; P57-V60 HydrophobicContact CG-CG2 3.89Å; P57-V60 WeakPolarHBondContact O-CB 3.32Å; P57-V60 VanDerWaalsContact O-CG2 3.29Å; P57-V60 WeakPolarHBondContact O-CG2 3.35Å; P57-V60 PolarHBondContact O-N 2.56Å; P57-W65 HydrophobicContact CG-CG 4.33Å
58	R	51.2	Low	65.3	Low	237 Å²	237	85.4 Å²	85.4	89%	0.894	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	128	171.9	-61.1	-175.4	-166	178.6	5.2	108.2	E56	E56-R58 PolarHBondContact O-N 3.08Å; E56-R58 VanDerWaalsContact O-N 3.07Å
59	P	57.7	Low	67.5	Low	129 Å²	129	80.7 Å²	80.7	84%	0.838	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	cis	-112.4	68.8	16.8	39.5	-28.3	0	0	0	112.9
60	V	74.5	Confident	69.7	Low	22 Å²	22	72.9 Å²	72.9	13%	0.133	39%	0.392	C	S	.	.	S	Bend	trans	-97.1	146.2	-179.4	174.2	0	0	0	0	111.2	P57 P62 W65 T433 L434	P57-V60 HydrophobicContact CB-CG2 3.97Å; P57-V60 HydrophobicContact CG-CB 4.14Å; P57-V60 HydrophobicContact CG-CG2 3.89Å; P57-V60 WeakPolarHBondContact O-CB 3.32Å; P57-V60 VanDerWaalsContact O-CG2 3.29Å; P57-V60 WeakPolarHBondContact O-CG2 3.35Å; P57-V60 PolarHBondContact O-N 2.56Å; V60-P62 VanDerWaalsContact O-CD 3.32Å; V60-P62 WeakPolarHBondContact O-CD 3.17Å; V60-W65 HydrophobicContact CG1-CB 3.98Å; V60-T433 HydrophobicContact CG2-CG2 3.77Å; V60-L434 HydrophobicContact CB-CD2 3.98Å; V60-L434 HydrophobicContact CG1-CD2 3.12Å; V60-L434 HydrophobicContact CG2-CD2 3.59Å
61	N	81.9	Confident	72.2	Confident	79 Å²	79	68.8 Å²	68.8	42%	0.422	36%	0.358	S	S	.	.			trans	-66.5	117.7	167.9	-177.4	-38.4	0	0	0	109.8	R63 V64 W65	N61-R63 PolarHBondContact O-N 3.14Å; N61-R63 VanDerWaalsContact O-N 3.09Å; N61-R63 WeakPolarHBondContact OD1-CB 3.47Å; N61-R63 PolarHBondContact OD1-N 2.8Å; N61-V64 HydrophobicContact CB-CB 4.22Å; N61-V64 HydrophobicContact CB-CG2 3.95Å; N61-V64 WeakPolarHBondContact O-CB 3.42Å; N61-V64 PolarHBondContact O-N 3.13Å; N61-W65 PolarHBondContact O-N 3.41Å; N61-W65 VanDerWaalsContact O-N 3.15Å
62	P	83.9	Confident	74.4	Confident	48 Å²	48	63.3 Å²	63.3	31%	0.312	33%	0.329	S	S	.	.	H	α-helix	trans	-55.7	-33.8	-174.4	-28.3	36.2	0	0	0	114	E56 V60 W65 E66	E56-P62 WeakPolarHBondContact OE2-CG 3.43Å; V60-P62 VanDerWaalsContact O-CD 3.32Å; V60-P62 WeakPolarHBondContact O-CD 3.17Å; P62-W65 WeakPolarHBondContact O-CB 3.44Å; P62-W65 PolarHBondContact O-N 3.02Å; P62-E66 WeakPolarHBondContact O-CG 3.45Å; P62-E66 PolarHBondContact O-N 2.92Å
63	R	86.1	Confident	76.8	Confident	87 Å²	87	58.7 Å²	58.7	33%	0.328	31%	0.305	S	S	.	.	H	α-helix	trans	-70.6	-34.4	-179.9	-59.1	-174.8	-177.4	-172.7	4.3	112.7	N61 W65 L67 T131 F138	N61-R63 PolarHBondContact O-N 3.14Å; N61-R63 VanDerWaalsContact O-N 3.09Å; N61-R63 WeakPolarHBondContact OD1-CB 3.47Å; N61-R63 PolarHBondContact OD1-N 2.8Å; R63-W65 VanDerWaalsContact C-N 3.31Å; R63-L67 WeakPolarHBondContact O-CB 3.5Å; R63-L67 PolarHBondContact O-N 2.87Å; R63-L67 VanDerWaalsContact O-N 3.13Å; R63-T131 HydrophobicContact CB-CG2 3.96Å; R63-T131 WeakPolarHBondContact CD-OG1 3.5Å; R63-T131 WeakPolarHBondContact CG-OG1 3.44Å; R63-F138 HydrophobicContact CB-CD1 3.93Å; R63-F138 HydrophobicContact CB-CD2 4.49Å; R63-F138 HydrophobicContact CB-CE1 3.82Å; R63-F138 HydrophobicContact CB-CE2 4.38Å; R63-F138 HydrophobicContact CB-CG 4.31Å; R63-F138 HydrophobicContact CB-CZ 4.09Å; R63-F138 HydrophobicContact CG-CE1 4.36Å; R63-F138 HydrophobicContact CG-CZ 4.27Å
64	V	85.3	Confident	79.2	Confident	11 Å²	11	52.4 Å²	52.4	7%	0.067	26%	0.264	C	S	.	.	H	α-helix	trans	-70.4	-34.6	174.3	176.2	0	0	0	0	110.1	N61 S68 F138 K141 L142 L434	N61-V64 HydrophobicContact CB-CB 4.22Å; N61-V64 HydrophobicContact CB-CG2 3.95Å; N61-V64 WeakPolarHBondContact O-CB 3.42Å; N61-V64 PolarHBondContact O-N 3.13Å; V64-S68 PolarHBondContact O-N 3.35Å; V64-F138 HydrophobicContact CG2-CD1 4.2Å; V64-K141 HydrophobicContact CG2-CB 4.28Å; V64-L142 HydrophobicContact CG1-CB 4.1Å; V64-L142 HydrophobicContact CG1-CD1 3.79Å; V64-L142 HydrophobicContact CG1-CG 4.44Å; V64-L434 HydrophobicContact CG1-CD1 4.03Å
65	W	86.1	Confident	81.3	Confident	30 Å²	30	50 Å²	50	11%	0.114	25%	0.249	C	C	.	.	H	α-helix	trans	-69.6	-44.3	175.3	-178	60.6	0	0	0	112.7	T54 E56 P57 V60 N61 P62 R63 L67 S68 K69	T54-W65 WeakPolarHBondContact OG1-CH2 3.38Å; E56-W65 HydrophobicContact CB-CZ3 4.41Å; E56-W65 HydrophobicContact CG-CE3 3.85Å; E56-W65 HydrophobicContact CG-CH2 4.25Å; E56-W65 HydrophobicContact CG-CZ3 3.57Å; P57-W65 HydrophobicContact CG-CG 4.33Å; V60-W65 HydrophobicContact CG1-CB 3.98Å; N61-W65 PolarHBondContact O-N 3.41Å; N61-W65 VanDerWaalsContact O-N 3.15Å; P62-W65 WeakPolarHBondContact O-CB 3.44Å; P62-W65 PolarHBondContact O-N 3.02Å; R63-W65 VanDerWaalsContact C-N 3.31Å; W65-L67 VanDerWaalsContact C-N 3.3Å; W65-L67 PolarHBondContact O-N 3.16Å; W65-S68 VanDerWaalsContact O-CB 3.3Å; W65-S68 WeakPolarHBondContact O-CB 3.38Å; W65-S68 PolarHBondContact O-N 3.14Å; W65-S68 VanDerWaalsContact O-N 3.13Å; W65-K69 HydrophobicContact CD2-CD 4.29Å; W65-K69 HydrophobicContact CH2-CD 4.24Å; W65-K69 HydrophobicContact CZ2-CD 3.93Å; W65-K69 PolarHBondContact O-N 2.79Å
66	E	88	Confident	83.2	Confident	31 Å²	31	44.5 Å²	44.5	15%	0.145	21%	0.213	C	C	.	.	H	α-helix	trans	-55.4	-45.6	172	-74.3	173.1	179.7	0	0	111.3	P62 S68 K69 A70 I127 K128	P62-E66 WeakPolarHBondContact O-CG 3.45Å; P62-E66 PolarHBondContact O-N 2.92Å; E66-S68 VanDerWaalsContact C-N 3.33Å; E66-S68 PolarHBondContact O-N 2.83Å; E66-K69 PolarHBondContact O-N 2.87Å; E66-K69 VanDerWaalsContact O-N 3.15Å; E66-A70 PolarHBondContact O-N 3.26Å; E66-I127 HydrophobicContact CB-CG2 4.43Å; E66-K128 WeakPolarHBondContact OE1-CD 3.41Å; E66-K128 VanDerWaalsContact OE1-CE 3.25Å; E66-K128 WeakPolarHBondContact OE1-CE 3.08Å; E66-K128 IonicContact OE1-NZ 3.83Å; E66-K128 PolarHBondContact OE1-NZ 3.5Å
67	L	89.8	Confident	84.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-38.3	176.9	-171.8	62.4	0	0	0	112.6	R63 W65 K69 A70 N71 F124 I135 F138 F139 L142	R63-L67 WeakPolarHBondContact O-CB 3.5Å; R63-L67 PolarHBondContact O-N 2.87Å; R63-L67 VanDerWaalsContact O-N 3.13Å; W65-L67 VanDerWaalsContact C-N 3.3Å; W65-L67 PolarHBondContact O-N 3.16Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-A70 PolarHBondContact O-N 3.23Å; L67-N71 WeakPolarHBondContact O-CB 3.47Å; L67-N71 PolarHBondContact O-N 3.48Å; L67-F124 HydrophobicContact CD1-CD1 4.24Å; L67-F124 HydrophobicContact CD1-CE1 4.08Å; L67-I135 HydrophobicContact CD1-CD1 3.95Å; L67-I135 HydrophobicContact CD1-CG1 3.87Å; L67-F138 HydrophobicContact CD2-CB 3.96Å; L67-F139 HydrophobicContact CD1-CD2 4.37Å; L67-F139 HydrophobicContact CD1-CE1 4.37Å; L67-F139 HydrophobicContact CD1-CE2 3.72Å; L67-F139 HydrophobicContact CD1-CZ 3.71Å; L67-F139 HydrophobicContact CD2-CB 4.47Å; L67-F139 HydrophobicContact CD2-CD1 3.91Å; L67-F139 HydrophobicContact CD2-CD2 3.93Å; L67-F139 HydrophobicContact CD2-CE1 4.03Å; L67-F139 HydrophobicContact CD2-CE2 4.06Å; L67-F139 HydrophobicContact CD2-CG 3.84Å; L67-F139 HydrophobicContact CD2-CZ 4.09Å; L67-F139 HydrophobicContact CG-CE1 4.22Å; L67-F139 HydrophobicContact CG-CE2 4.31Å; L67-F139 HydrophobicContact CG-CZ 4.06Å; L67-L142 HydrophobicContact CD2-CD2 4.45Å
68	S	90.2	Very high	86.8	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.014	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-43	172.9	-179.9	0	0	0	0	111.7	V64 W65 E66 N71 G72 L434 T436	V64-S68 PolarHBondContact O-N 3.35Å; W65-S68 VanDerWaalsContact O-CB 3.3Å; W65-S68 WeakPolarHBondContact O-CB 3.38Å; W65-S68 PolarHBondContact O-N 3.14Å; W65-S68 VanDerWaalsContact O-N 3.13Å; E66-S68 VanDerWaalsContact C-N 3.33Å; E66-S68 PolarHBondContact O-N 2.83Å; S68-N71 PolarHBondContact O-N 3.09Å; S68-G72 PolarHBondContact O-N 3.5Å; S68-L434 PolarHBondContact OG-O 3.47Å; S68-T436 WeakPolarHBondContact CB-OG1 3.32Å; S68-T436 WeakPolarHBondContact OG-CA 3.38Å; S68-T436 WeakPolarHBondContact OG-CB 3.36Å; S68-T436 PolarHBondContact OG-N 2.78Å; S68-T436 PolarHBondContact OG-OG1 2.68Å
69	K	90.9	Very high	88.9	Confident	52 Å²	52	29.5 Å²	29.5	23%	0.226	16%	0.157	C	C	.	.	H	α-helix	trans	-65.2	-46.3	177.3	-66.8	-177.9	87	-176.6	0	111.4	T54 W65 E66 L67 N71 G72 R73 Q318	T54-K69 PolarHBondContact OG1-NZ 2.84Å; T54-K69 VanDerWaalsContact OG1-NZ 3.16Å; W65-K69 HydrophobicContact CD2-CD 4.29Å; W65-K69 HydrophobicContact CH2-CD 4.24Å; W65-K69 HydrophobicContact CZ2-CD 3.93Å; W65-K69 PolarHBondContact O-N 2.79Å; E66-K69 PolarHBondContact O-N 2.87Å; E66-K69 VanDerWaalsContact O-N 3.15Å; L67-K69 VanDerWaalsContact C-N 3.34Å; K69-N71 VanDerWaalsContact C-N 3.35Å; K69-N71 PolarHBondContact O-N 3.18Å; K69-G72 PolarHBondContact O-N 2.76Å; K69-G72 VanDerWaalsContact O-N 3.08Å; K69-R73 PolarHBondContact O-N 3.32Å; K69-R73 VanDerWaalsContact O-N 3.09Å; K69-Q318 PolarHBondContact O-NE2 3.31Å
70	A	92.6	Very high	90.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-55.5	-49.3	174.5	0	0	0	0	0	111.5	E66 L67 G72 R73 F74 Q123 F124 I127	E66-A70 PolarHBondContact O-N 3.26Å; L67-A70 PolarHBondContact O-N 3.23Å; A70-G72 VanDerWaalsContact C-N 3.26Å; A70-G72 PolarHBondContact O-N 3.39Å; A70-R73 PolarHBondContact O-N 3.17Å; A70-R73 VanDerWaalsContact O-N 3.12Å; A70-F74 PolarHBondContact O-N 2.89Å; A70-Q123 HydrophobicContact CB-CB 4.44Å; A70-Q123 WeakPolarHBondContact CB-O 3.34Å; A70-F124 HydrophobicContact CB-CD1 4.49Å; A70-I127 HydrophobicContact CB-CG2 3.96Å
71	N	94.2	Very high	91.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.1	-36.6	175.8	-179.7	73.2	0	0	0	112.6	L67 S68 K69 A75 P96 L97 S100 L437	L67-N71 WeakPolarHBondContact O-CB 3.47Å; L67-N71 PolarHBondContact O-N 3.48Å; S68-N71 PolarHBondContact O-N 3.09Å; K69-N71 VanDerWaalsContact C-N 3.35Å; K69-N71 PolarHBondContact O-N 3.18Å; N71-A75 WeakPolarHBondContact O-CB 3.43Å; N71-A75 PolarHBondContact O-N 3.04Å; N71-P96 PolarHBondContact OD1-O 3.46Å; N71-L97 WeakPolarHBondContact OD1-CA 3.32Å; N71-L97 PolarHBondContact OD1-N 2.94Å; N71-S100 WeakPolarHBondContact OD1-CB 2.93Å; N71-S100 PolarHBondContact OD1-OG 3.44Å; N71-L437 PolarHBondContact ND2-O 2.78Å
72	G	94.4	Very high	92.2	Very high	2 Å²	2	24.1 Å²	24.1	2%	0.021	12%	0.116	C	C	.	.	H	α-helix	trans	-64.3	-39.4	175.3	0	0	0	0	0	113.6	S68 K69 A70 L76	S68-G72 PolarHBondContact O-N 3.5Å; K69-G72 PolarHBondContact O-N 2.76Å; K69-G72 VanDerWaalsContact O-N 3.08Å; A70-G72 VanDerWaalsContact C-N 3.26Å; A70-G72 PolarHBondContact O-N 3.39Å; G72-L76 WeakPolarHBondContact O-CG 3.38Å; G72-L76 PolarHBondContact O-N 3.47Å
73	R	95.1	Very high	92.6	Very high	72 Å²	72	22.4 Å²	22.4	27%	0.272	11%	0.106	S	C	.	.	H	α-helix	trans	-65	-50.5	175	-64.3	-177.9	-175.1	175.2	-2.1	110.8	D51 K69 A70 A75 L76 A77 Q123 Q318	D51-R73 IonicContact OD2-NH2 3.94Å; D51-R73 PolarHBondContact OD2-NH2 3.43Å; K69-R73 PolarHBondContact O-N 3.32Å; K69-R73 VanDerWaalsContact O-N 3.09Å; A70-R73 PolarHBondContact O-N 3.17Å; A70-R73 VanDerWaalsContact O-N 3.12Å; R73-A75 VanDerWaalsContact C-N 3.34Å; R73-A75 PolarHBondContact O-N 3.23Å; R73-L76 PolarHBondContact O-N 3.15Å; R73-A77 WeakPolarHBondContact O-CB 3.31Å; R73-A77 PolarHBondContact O-N 2.76Å; R73-A77 VanDerWaalsContact O-N 3.08Å; R73-Q123 HydrophobicContact CB-CB 4.22Å; R73-Q123 HydrophobicContact CB-CG 3.84Å; R73-Q318 HydrophobicContact CG-CB 4.48Å; R73-Q318 VanDerWaalsContact NE-OE1 3.09Å
74	F	96.5	Very high	92.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.1	-45	176.2	167.3	-107.9	0	0	0	112.1	A70 L76 A77 L78 I99 S100 V121 F122 Q123 L352 M355	A70-F74 PolarHBondContact O-N 2.89Å; F74-L76 VanDerWaalsContact C-N 3.34Å; F74-L76 PolarHBondContact O-N 2.64Å; F74-A77 PolarHBondContact O-N 3.39Å; F74-L78 HydrophobicContact CE1-CD2 4.05Å; F74-L78 HydrophobicContact CE2-CB 4.07Å; F74-L78 HydrophobicContact CE2-CD2 4.32Å; F74-L78 HydrophobicContact CZ-CB 4.13Å; F74-L78 HydrophobicContact CZ-CD2 3.61Å; F74-L78 HydrophobicContact CZ-CG 4.39Å; F74-L78 WeakPolarHBondContact O-CB 3.33Å; F74-L78 PolarHBondContact O-N 2.97Å; F74-I99 HydrophobicContact CE1-CB 4.32Å; F74-I99 HydrophobicContact CE1-CG2 4.04Å; F74-I99 HydrophobicContact CZ-CG2 3.89Å; F74-S100 WeakPolarHBondContact CD1-OG 3.38Å; F74-S100 WeakPolarHBondContact CE1-OG 3Å; F74-V121 WeakPolarHBondContact CD2-O 3.32Å; F74-V121 HydrophobicContact CE2-CG1 4.47Å; F74-F122 AromaticContact CD1-CD1 3.99Å; F74-F122 HydrophobicContact CD1-CD1 3.99Å; F74-F122 HydrophobicContact CD1-CE1 4.31Å; F74-F122 AromaticContact CD2-CD1 3.92Å; F74-F122 HydrophobicContact CD2-CD1 3.92Å; F74-F122 HydrophobicContact CD2-CE1 4.28Å; F74-F122 HydrophobicContact CD2-CG 4.41Å; F74-F122 AromaticContact CE1-CD1 3.77Å; F74-F122 HydrophobicContact CE1-CD1 3.77Å; F74-F122 AromaticContact CE1-CE1 3.62Å; F74-F122 HydrophobicContact CE1-CE1 3.62Å; F74-F122 AromaticContact CE2-CD1 3.7Å; F74-F122 HydrophobicContact CE2-CD1 3.7Å; F74-F122 AromaticContact CE2-CE1 3.59Å; F74-F122 HydrophobicContact CE2-CE1 3.59Å; F74-F122 HydrophobicContact CE2-CG 4.36Å; F74-F122 HydrophobicContact CE2-CZ 4.14Å; F74-F122 HydrophobicContact CG-CD1 4.04Å; F74-F122 AromaticContact CZ-CD1 3.61Å; F74-F122 HydrophobicContact CZ-CD1 3.61Å; F74-F122 AromaticContact CZ-CE1 3.19Å; F74-F122 HydrophobicContact CZ-CE1 3.19Å; F74-F122 AromaticContact CZ-CZ 3.96Å; F74-F122 HydrophobicContact CZ-CZ 3.96Å; F74-Q123 HydrophobicContact CB-CG 4.38Å; F74-L352 HydrophobicContact CE2-CD2 4.02Å; F74-L352 HydrophobicContact CZ-CD2 4.29Å; F74-M355 HydrophobicContact CD2-CE 4.03Å; F74-M355 HydrophobicContact CE2-CE 4.03Å
75	A	96.8	Very high	93.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-53.8	-49.5	-179.5	0	0	0	0	0	112.5	N71 R73 Y79 M94 P96 L437	N71-A75 WeakPolarHBondContact O-CB 3.43Å; N71-A75 PolarHBondContact O-N 3.04Å; R73-A75 VanDerWaalsContact C-N 3.34Å; R73-A75 PolarHBondContact O-N 3.23Å; A75-Y79 WeakPolarHBondContact O-CB 3.5Å; A75-Y79 PolarHBondContact O-N 3.24Å; A75-M94 WeakPolarHBondContact O-CE 3.39Å; A75-P96 HydrophobicContact CB-CB 3.36Å; A75-P96 HydrophobicContact CB-CG 3.46Å; A75-P96 VanDerWaalsContact CB-CG 3.46Å; A75-L437 HydrophobicContact CB-CB 4.46Å; A75-L437 HydrophobicContact CB-CD1 3.92Å
76	L	95.7	Very high	93.3	Very high	8 Å²	8	28 Å²	28	4%	0.042	14%	0.143	C	C	.	.	H	α-helix	trans	-72.3	-37	-178.6	-63.2	176.2	0	0	0	111.5	G72 R73 F74 Y79 K80 L316 Q318 L321 L437	G72-L76 WeakPolarHBondContact O-CG 3.38Å; G72-L76 PolarHBondContact O-N 3.47Å; R73-L76 PolarHBondContact O-N 3.15Å; F74-L76 VanDerWaalsContact C-N 3.34Å; F74-L76 PolarHBondContact O-N 2.64Å; L76-Y79 PolarHBondContact O-N 3.45Å; L76-K80 WeakPolarHBondContact O-CG 3.25Å; L76-K80 PolarHBondContact O-N 2.72Å; L76-L316 HydrophobicContact CD2-CD2 4.07Å; L76-L316 HydrophobicContact CD2-CG 4.31Å; L76-Q318 HydrophobicContact CD1-CB 4.22Å; L76-Q318 VanDerWaalsContact CD1-N 3.3Å; L76-L321 HydrophobicContact CD1-CD2 4.49Å; L76-L437 HydrophobicContact CD2-CD1 4.4Å; L76-L437 HydrophobicContact CG-CD1 4.4Å
77	A	95.4	Very high	93.3	Very high	42 Å²	42	30.4 Å²	30.4	35%	0.347	16%	0.159	S	C	.	.	H	α-helix	trans	-63.3	-48.9	175.1	0	0	0	0	0	112	R73 F74 K80 Q81 M355	R73-A77 WeakPolarHBondContact O-CB 3.31Å; R73-A77 PolarHBondContact O-N 2.76Å; R73-A77 VanDerWaalsContact O-N 3.08Å; F74-A77 PolarHBondContact O-N 3.39Å; A77-K80 PolarHBondContact O-N 3.13Å; A77-Q81 PolarHBondContact O-N 2.79Å; A77-M355 HydrophobicContact CB-CE 3.83Å
78	L	96.2	Very high	93.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.2	-42.7	176.2	177	63.9	0	0	0	111.1	F74 K80 Q81 M82 M94 I99 L348 K351 L352 M355	F74-L78 HydrophobicContact CE1-CD2 4.05Å; F74-L78 HydrophobicContact CE2-CB 4.07Å; F74-L78 HydrophobicContact CE2-CD2 4.32Å; F74-L78 HydrophobicContact CZ-CB 4.13Å; F74-L78 HydrophobicContact CZ-CD2 3.61Å; F74-L78 HydrophobicContact CZ-CG 4.39Å; F74-L78 WeakPolarHBondContact O-CB 3.33Å; F74-L78 PolarHBondContact O-N 2.97Å; L78-K80 VanDerWaalsContact C-N 3.31Å; L78-K80 PolarHBondContact O-N 3.25Å; L78-Q81 WeakPolarHBondContact O-CB 3.41Å; L78-Q81 PolarHBondContact O-N 3.04Å; L78-Q81 VanDerWaalsContact O-N 3.12Å; L78-M82 HydrophobicContact CD1-CG 4.42Å; L78-M82 HydrophobicContact CG-CG 4.42Å; L78-M82 WeakPolarHBondContact O-CG 3.5Å; L78-M82 PolarHBondContact O-N 3.01Å; L78-M94 HydrophobicContact CB-CE 4.04Å; L78-M94 HydrophobicContact CD2-CE 3.77Å; L78-M94 HydrophobicContact CD2-SD 3.8Å; L78-M94 HydrophobicContact CG-CE 3.86Å; L78-M94 HydrophobicContact CG-SD 4.01Å; L78-I99 HydrophobicContact CD2-CD1 3.71Å; L78-I99 HydrophobicContact CD2-CG2 4.42Å; L78-L348 HydrophobicContact CD2-CD2 4.26Å; L78-K351 HydrophobicContact CD1-CB 4.19Å; L78-L352 HydrophobicContact CD1-CD2 4.43Å; L78-M355 HydrophobicContact CB-CE 4.21Å; L78-M355 HydrophobicContact CB-SD 4.12Å; L78-M355 HydrophobicContact CD1-SD 3.8Å
79	Y	96.1	Very high	93.1	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-58.9	-42.2	178	180	-95.3	0	0	0	111.9	A75 L76 Q81 M82 A83 I92 E313 L426 V440 R442	A75-Y79 WeakPolarHBondContact O-CB 3.5Å; A75-Y79 PolarHBondContact O-N 3.24Å; L76-Y79 PolarHBondContact O-N 3.45Å; Y79-Q81 PolarHBondContact O-N 2.82Å; Y79-M82 WeakPolarHBondContact O-CB 3.25Å; Y79-M82 PolarHBondContact O-N 2.84Å; Y79-A83 HydrophobicContact CE1-CB 4.46Å; Y79-A83 WeakPolarHBondContact O-CB 3.19Å; Y79-A83 PolarHBondContact O-N 3.4Å; Y79-I92 HydrophobicContact CD2-CG2 4.22Å; Y79-I92 HydrophobicContact CE2-CB 4.26Å; Y79-I92 HydrophobicContact CE2-CG2 3.85Å; Y79-E313 HydrophobicContact CE1-CB 4.39Å; Y79-E313 HydrophobicContact CE1-CG 3.99Å; Y79-E313 PolarHBondContact OH-OE1 2.94Å; Y79-L426 HydrophobicContact CE1-CD2 4.11Å; Y79-L426 WeakPolarHBondContact OH-CD2 3.32Å; Y79-V440 HydrophobicContact CD1-CG1 4.48Å; Y79-V440 HydrophobicContact CD2-CB 4.35Å; Y79-V440 HydrophobicContact CD2-CG1 3.53Å; Y79-V440 HydrophobicContact CE2-CG1 3.95Å; Y79-V440 HydrophobicContact CG-CG1 3.84Å; Y79-R442 WeakPolarHBondContact OH-CB 3.42Å
80	K	94.5	Very high	93.1	Very high	63 Å²	63	36.7 Å²	36.7	27%	0.274	20%	0.203	S	C	.	.	H	α-helix	trans	-60	-44.1	173.9	-74.4	-179.6	-172.9	-168.2	0	112	L76 A77 L78 M82 A83 L84 E313 Q314 L316	L76-K80 WeakPolarHBondContact O-CG 3.25Å; L76-K80 PolarHBondContact O-N 2.72Å; A77-K80 PolarHBondContact O-N 3.13Å; L78-K80 VanDerWaalsContact C-N 3.31Å; L78-K80 PolarHBondContact O-N 3.25Å; K80-M82 VanDerWaalsContact C-N 3.31Å; K80-M82 PolarHBondContact O-N 3.38Å; K80-A83 PolarHBondContact O-N 2.83Å; K80-L84 WeakPolarHBondContact O-CB 3.22Å; K80-L84 VanDerWaalsContact O-CG 3.26Å; K80-L84 WeakPolarHBondContact O-CG 3.4Å; K80-L84 PolarHBondContact O-N 3.3Å; K80-E313 WeakPolarHBondContact CE-O 3.41Å; K80-Q314 WeakPolarHBondContact CE-O 3.38Å; K80-Q314 PolarHBondContact NZ-O 3.15Å; K80-L316 WeakPolarHBondContact CE-O 3.35Å; K80-L316 PolarHBondContact NZ-O 2.96Å
81	Q	94.4	Very high	93.2	Very high	53 Å²	53	38.4 Å²	38.4	25%	0.248	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-38.6	176.5	-65.2	-62.1	-17.1	0	0	112.4	A77 L78 Y79 S85 M355	A77-Q81 PolarHBondContact O-N 2.79Å; L78-Q81 WeakPolarHBondContact O-CB 3.41Å; L78-Q81 PolarHBondContact O-N 3.04Å; L78-Q81 VanDerWaalsContact O-N 3.12Å; Y79-Q81 PolarHBondContact O-N 2.82Å; Q81-S85 PolarHBondContact O-N 3.05Å; Q81-S85 PolarHBondContact O-OG 3.18Å; Q81-M355 HydrophobicContact CG-CG 3.66Å; Q81-M355 HydrophobicContact CG-SD 4.03Å
82	M	93.5	Very high	93.2	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-49.2	173.9	-70.7	-64.8	-64.9	0	0	111.3	L78 Y79 K80 L84 S85 R86 I92 M94 F346 K351	L78-M82 HydrophobicContact CD1-CG 4.42Å; L78-M82 HydrophobicContact CG-CG 4.42Å; L78-M82 WeakPolarHBondContact O-CG 3.5Å; L78-M82 PolarHBondContact O-N 3.01Å; Y79-M82 WeakPolarHBondContact O-CB 3.25Å; Y79-M82 PolarHBondContact O-N 2.84Å; K80-M82 VanDerWaalsContact C-N 3.31Å; K80-M82 PolarHBondContact O-N 3.38Å; M82-L84 PolarHBondContact O-N 2.95Å; M82-S85 PolarHBondContact O-N 2.84Å; M82-S85 VanDerWaalsContact O-N 3.12Å; M82-S85 PolarHBondContact O-OG 2.85Å; M82-R86 PolarHBondContact O-N 2.9Å; M82-I92 HydrophobicContact CB-CD1 4.45Å; M82-I92 HydrophobicContact CB-CG2 4.4Å; M82-M94 HydrophobicContact CG-SD 4.28Å; M82-F346 HydrophobicContact CE-CB 4.37Å; M82-F346 HydrophobicContact CE-CD1 3.61Å; M82-F346 HydrophobicContact CE-CD2 3.49Å; M82-F346 VanDerWaalsContact CE-CD2 3.49Å; M82-F346 HydrophobicContact CE-CE1 3.61Å; M82-F346 HydrophobicContact CE-CE2 3.46Å; M82-F346 VanDerWaalsContact CE-CE2 3.46Å; M82-F346 HydrophobicContact CE-CG 3.56Å; M82-F346 HydrophobicContact CE-CZ 3.53Å; M82-F346 HydrophobicContact SD-CD2 3.81Å; M82-F346 HydrophobicContact SD-CE2 3.66Å; M82-F346 HydrophobicContact SD-CG 4.45Å; M82-F346 HydrophobicContact SD-CZ 4.2Å; M82-K351 HydrophobicContact SD-CD 4.35Å; M82-K351 HydrophobicContact SD-CG 3.84Å
83	A	93.2	Very high	93.2	Very high	13 Å²	13	38.5 Å²	38.5	11%	0.107	21%	0.212	C	C	.	.	H	α-helix	trans	-61.6	-40.3	179.6	0	0	0	0	0	112.6	Y79 K80 S85 R86 I92	Y79-A83 HydrophobicContact CE1-CB 4.46Å; Y79-A83 WeakPolarHBondContact O-CB 3.19Å; Y79-A83 PolarHBondContact O-N 3.4Å; K80-A83 PolarHBondContact O-N 2.83Å; A83-S85 PolarHBondContact O-N 2.97Å; A83-R86 PolarHBondContact O-N 3.37Å; A83-R86 VanDerWaalsContact O-O 3.08Å; A83-I92 HydrophobicContact CB-CD1 4.13Å
84	L	91.6	Very high	93.2	Very high	129 Å²	129	35.1 Å²	35.1	68%	0.675	20%	0.199	S	C	*	.	H	α-helix	trans	-64.2	-27.5	175.7	-72.9	172.8	0	0	0	113.2	K80 M82	K80-L84 WeakPolarHBondContact O-CB 3.22Å; K80-L84 VanDerWaalsContact O-CG 3.26Å; K80-L84 WeakPolarHBondContact O-CG 3.4Å; K80-L84 PolarHBondContact O-N 3.3Å; M82-L84 PolarHBondContact O-N 2.95Å
85	S	89.6	Confident	93.2	Very high	51 Å²	51	35.1 Å²	35.1	36%	0.357	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-1.8	-176.7	73	0	0	0	0	115.3	Q81 M82 A83 K351	Q81-S85 PolarHBondContact O-N 3.05Å; Q81-S85 PolarHBondContact O-OG 3.18Å; M82-S85 PolarHBondContact O-N 2.84Å; M82-S85 VanDerWaalsContact O-N 3.12Å; M82-S85 PolarHBondContact O-OG 2.85Å; A83-S85 PolarHBondContact O-N 2.97Å; S85-K351 VanDerWaalsContact CB-CE 3.44Å; S85-K351 WeakPolarHBondContact OG-CE 3.44Å; S85-K351 PolarHBondContact OG-NZ 3.27Å
86	R	90.1	Very high	93.1	Very high	66 Å²	66	35.1 Å²	35.1	25%	0.249	20%	0.199	C	C	.	.	S	Bend	trans	-128.3	157.6	-175.9	-68.6	-171.3	173.8	-166.8	1.7	110.8	M82 A83 S90 N91 D344	M82-R86 PolarHBondContact O-N 2.9Å; A83-R86 PolarHBondContact O-N 3.37Å; A83-R86 VanDerWaalsContact O-O 3.08Å; R86-S90 WeakPolarHBondContact CB-OG 3.45Å; R86-N91 PolarHBondContact NH1-O 2.96Å; R86-D344 IonicContact CZ-OD1 2.76Å; R86-D344 VanDerWaalsContact CZ-OD1 3.27Å; R86-D344 IonicContact CZ-OD2 2.64Å; R86-D344 IonicContact NH1-OD1 3.41Å; R86-D344 PolarHBondContact NH1-OD1 3.32Å; R86-D344 IonicContact NH1-OD2 2.64Å; R86-D344 PolarHBondContact NH1-OD2 2.8Å; R86-D344 IonicContact NH2-OD1 3.84Å; R86-D344 PolarHBondContact NH2-OD1 3.32Å; R86-D344 IonicContact NH2-OD2 3.71Å; R86-D344 PolarHBondContact NH2-OD2 3.12Å
87	T	89.6	Confident	92.9	Very high	81 Å²	81	34.8 Å²	34.8	50%	0.497	20%	0.197	S	C	.	.			trans	-70.1	149.2	175.8	54	0	0	0	0	110.2	D89 S90 R442	T87-D89 WeakPolarHBondContact CB-OD1 3.42Å; T87-D89 PolarHBondContact O-N 3.22Å; T87-D89 VanDerWaalsContact O-N 3.14Å; T87-D89 PolarHBondContact OG1-OD1 2.92Å; T87-S90 PolarHBondContact O-N 2.84Å; T87-S90 VanDerWaalsContact O-N 3.08Å; T87-S90 PolarHBondContact O-OG 3.28Å; T87-S90 VanDerWaalsContact O-OG 3.13Å; T87-R442 PolarHBondContact O-NH2 3.45Å
88	P	87.3	Confident	92.7	Very high	93 Å²	93	32.8 Å²	32.8	60%	0.604	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-25.1	-178.2	-26.9	36	0	0	0	114.8	A444	P88-A444 WeakPolarHBondContact O-CB 3.24Å
89	D	87.1	Confident	92.7	Very high	63 Å²	63	32.8 Å²	32.8	34%	0.337	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-6.5	179.9	66.5	-24.9	0	0	0	113.8	T87 V257 R261 A444	T87-D89 WeakPolarHBondContact CB-OD1 3.42Å; T87-D89 PolarHBondContact O-N 3.22Å; T87-D89 VanDerWaalsContact O-N 3.14Å; T87-D89 PolarHBondContact OG1-OD1 2.92Å; D89-V257 HydrophobicContact CB-CG1 4.2Å; D89-R261 IonicContact OD2-NH2 3.44Å; D89-R261 PolarHBondContact OD2-NH2 3.04Å; D89-A444 WeakPolarHBondContact O-CB 3.48Å
90	S	91.6	Very high	92.6	Very high	29 Å²	29	32.6 Å²	32.6	20%	0.203	18%	0.18	C	C	.	.	S	Bend	trans	-83.8	139.1	176.8	84.9	0	0	0	0	111.2	R86 T87 R442	R86-S90 WeakPolarHBondContact CB-OG 3.45Å; T87-S90 PolarHBondContact O-N 2.84Å; T87-S90 VanDerWaalsContact O-N 3.08Å; T87-S90 PolarHBondContact O-OG 3.28Å; T87-S90 VanDerWaalsContact O-OG 3.13Å; S90-R442 PolarHBondContact O-NE 2.93Å; S90-R442 PolarHBondContact O-NH2 3.37Å; S90-R442 PolarHBondContact OG-NH2 3.12Å
91	N	93.9	Very high	92.4	Very high	37 Å²	37	29.6 Å²	29.6	20%	0.198	17%	0.167	C	C	.	.			trans	-63.7	153	166.8	-64.4	-35	0	0	0	111.3	R86 V342 R442 A444 D445	R86-N91 PolarHBondContact NH1-O 2.96Å; N91-V342 HydrophobicContact CB-CG1 3.78Å; N91-V342 HydrophobicContact CB-CG2 4.36Å; N91-R442 WeakPolarHBondContact CA-O 3.33Å; N91-A444 PolarHBondContact OD1-N 2.92Å; N91-D445 PolarHBondContact ND2-O 3.17Å; N91-D445 PolarHBondContact OD1-N 2.85Å
92	I	95.1	Very high	92.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131.6	170.8	-61.3	179.5	0	0	0	106.8	Y79 M82 A83 D344 G441 R442	Y79-I92 HydrophobicContact CD2-CG2 4.22Å; Y79-I92 HydrophobicContact CE2-CB 4.26Å; Y79-I92 HydrophobicContact CE2-CG2 3.85Å; M82-I92 HydrophobicContact CB-CD1 4.45Å; M82-I92 HydrophobicContact CB-CG2 4.4Å; A83-I92 HydrophobicContact CB-CD1 4.13Å; I92-D344 WeakPolarHBondContact CA-OD2 3.41Å; I92-G441 CarbonylContact O-C 3.56Å; I92-G441 WeakPolarHBondContact O-CA 3.41Å; I92-R442 HydrophobicContact CB-CB 4.29Å; I92-R442 PolarHBondContact N-O 2.93Å; I92-R442 PolarHBondContact O-N 3.25Å
93	F	94.5	Very high	92.3	Very high	4 Å²	4	27 Å²	27	2%	0.018	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	126.6	171.5	-166.2	-111.5	0	0	0	111.5	V342 D344 A388 L390 F439	F93-V342 HydrophobicContact CB-CB 4.43Å; F93-V342 HydrophobicContact CB-CG1 3.6Å; F93-V342 HydrophobicContact CG-CG1 4.38Å; F93-D344 HydrophobicContact CB-CB 4.12Å; F93-D344 PolarHBondContact N-OD2 3.43Å; F93-D344 WeakPolarHBondContact O-CB 3.48Å; F93-A388 HydrophobicContact CD1-CB 3.58Å; F93-A388 HydrophobicContact CE1-CB 3.94Å; F93-L390 HydrophobicContact CD1-CB 3.98Å; F93-L390 HydrophobicContact CD2-CB 4.39Å; F93-L390 HydrophobicContact CD2-CD2 4.25Å; F93-L390 HydrophobicContact CE1-CB 3.43Å; F93-L390 VanDerWaalsContact CE1-CB 3.43Å; F93-L390 HydrophobicContact CE2-CB 3.9Å; F93-L390 HydrophobicContact CE2-CD2 3.53Å; F93-L390 HydrophobicContact CE2-CG 4.31Å; F93-L390 HydrophobicContact CG-CB 4.44Å; F93-L390 HydrophobicContact CZ-CB 3.4Å; F93-L390 HydrophobicContact CZ-CD1 4.44Å; F93-L390 HydrophobicContact CZ-CD2 3.74Å; F93-L390 HydrophobicContact CZ-CG 4.05Å; F93-F439 HydrophobicContact CD1-CD1 4.46Å; F93-F439 AromaticContact CE1-CD1 3.43Å; F93-F439 HydrophobicContact CE1-CD1 3.43Å; F93-F439 VanDerWaalsContact CE1-CD1 3.43Å; F93-F439 AromaticContact CE1-CE1 3.88Å; F93-F439 HydrophobicContact CE1-CE1 3.88Å; F93-F439 HydrophobicContact CE1-CG 4.24Å; F93-F439 HydrophobicContact CE2-CB 3.75Å; F93-F439 HydrophobicContact CE2-CD1 4.17Å; F93-F439 HydrophobicContact CE2-CG 4.27Å; F93-F439 HydrophobicContact CZ-CB 3.58Å; F93-F439 AromaticContact CZ-CD1 3.23Å; F93-F439 HydrophobicContact CZ-CD1 3.23Å; F93-F439 HydrophobicContact CZ-CE1 4.03Å; F93-F439 AromaticContact CZ-CG 3.58Å; F93-F439 HydrophobicContact CZ-CG 3.58Å
94	M	94.9	Very high	92.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	157	-179.3	71.9	178.9	-155	0	0	112.1	A75 L78 M82 P96 I99 F346 H386 F439 V440	A75-M94 WeakPolarHBondContact O-CE 3.39Å; L78-M94 HydrophobicContact CB-CE 4.04Å; L78-M94 HydrophobicContact CD2-CE 3.77Å; L78-M94 HydrophobicContact CD2-SD 3.8Å; L78-M94 HydrophobicContact CG-CE 3.86Å; L78-M94 HydrophobicContact CG-SD 4.01Å; M82-M94 HydrophobicContact CG-SD 4.28Å; M94-P96 HydrophobicContact CE-CB 4.18Å; M94-P96 WeakPolarHBondContact O-CD 3.37Å; M94-I99 HydrophobicContact CB-CD1 4.43Å; M94-I99 HydrophobicContact SD-CD1 4.39Å; M94-F346 HydrophobicContact CB-CE1 4.28Å; M94-F346 HydrophobicContact CB-CZ 3.79Å; M94-F346 HydrophobicContact SD-CZ 4.45Å; M94-H386 WeakPolarHBondContact CA-NE2 3.4Å; M94-F439 VanDerWaalsContact O-CA 3.3Å; M94-F439 WeakPolarHBondContact O-CA 3.47Å; M94-V440 PolarHBondContact N-O 2.9Å; M94-V440 PolarHBondContact O-N 3.09Å
95	S	95.3	Very high	92.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.118	C	C	.	.			trans	-105.9	100.3	166.2	179.4	0	0	0	0	110.7	L97 S98 I99 H386 L438	S95-L97 VanDerWaalsContact C-N 3.26Å; S95-L97 PolarHBondContact O-N 2.87Å; S95-S98 WeakPolarHBondContact O-CB 3.49Å; S95-S98 PolarHBondContact O-N 3.41Å; S95-S98 VanDerWaalsContact OG-CB 3.32Å; S95-S98 WeakPolarHBondContact OG-CB 3.38Å; S95-S98 PolarHBondContact OG-N 3.05Å; S95-I99 WeakPolarHBondContact O-CG1 3.43Å; S95-I99 PolarHBondContact O-N 2.86Å; S95-I99 VanDerWaalsContact O-N 3.1Å; S95-H386 PolarHBondContact N-NE2 3.31Å; S95-L438 VanDerWaalsContact CA-O 3.26Å; S95-L438 WeakPolarHBondContact CA-O 3.37Å; S95-L438 VanDerWaalsContact CB-O 3.23Å; S95-L438 WeakPolarHBondContact CB-O 3.19Å; S95-L438 PolarHBondContact OG-O 2.7Å
96	P	94.9	Very high	92.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62	-36.4	177.8	24.4	-33.3	0	0	0	111.9	N71 A75 M94 S98 I99 S100 L437 V440	N71-P96 PolarHBondContact OD1-O 3.46Å; A75-P96 HydrophobicContact CB-CB 3.36Å; A75-P96 HydrophobicContact CB-CG 3.46Å; A75-P96 VanDerWaalsContact CB-CG 3.46Å; M94-P96 HydrophobicContact CE-CB 4.18Å; M94-P96 WeakPolarHBondContact O-CD 3.37Å; P96-S98 VanDerWaalsContact C-N 3.32Å; P96-S98 PolarHBondContact O-N 2.96Å; P96-I99 PolarHBondContact O-N 2.86Å; P96-S100 WeakPolarHBondContact O-CB 3.34Å; P96-S100 PolarHBondContact O-N 3Å; P96-S100 PolarHBondContact O-OG 3.31Å; P96-L437 HydrophobicContact CG-CB 4.35Å; P96-V440 HydrophobicContact CG-CG2 4.16Å
97	L	92.2	Very high	92.3	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-60.6	-42.5	176.4	178.6	67.3	0	0	0	112.2	N71 S95 S100 T101 F139 L142 L146 T436 L438	N71-L97 WeakPolarHBondContact OD1-CA 3.32Å; N71-L97 PolarHBondContact OD1-N 2.94Å; S95-L97 VanDerWaalsContact C-N 3.26Å; S95-L97 PolarHBondContact O-N 2.87Å; L97-S100 PolarHBondContact O-N 3.36Å; L97-T101 WeakPolarHBondContact O-CB 3.39Å; L97-T101 PolarHBondContact O-N 2.87Å; L97-T101 PolarHBondContact O-OG1 2.83Å; L97-F139 HydrophobicContact CD1-CD1 4.4Å; L97-F139 HydrophobicContact CD1-CE1 4.04Å; L97-L142 HydrophobicContact CD1-CD2 3.63Å; L97-L142 HydrophobicContact CD1-CG 4.4Å; L97-L146 HydrophobicContact CD2-CD1 3.19Å; L97-T436 HydrophobicContact CD1-CG2 4.28Å; L97-T436 HydrophobicContact CD2-CG2 4.2Å; L97-L438 HydrophobicContact CD2-CD2 3.64Å
98	S	91.6	Very high	92.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.9	-45.5	177.4	-165.7	0	0	0	0	110.5	S95 P96 T101 A102 N160 N233	S95-S98 WeakPolarHBondContact O-CB 3.49Å; S95-S98 PolarHBondContact O-N 3.41Å; S95-S98 VanDerWaalsContact OG-CB 3.32Å; S95-S98 WeakPolarHBondContact OG-CB 3.38Å; S95-S98 PolarHBondContact OG-N 3.05Å; P96-S98 VanDerWaalsContact C-N 3.32Å; P96-S98 PolarHBondContact O-N 2.96Å; S98-T101 WeakPolarHBondContact O-CB 3.45Å; S98-T101 PolarHBondContact O-N 2.72Å; S98-A102 WeakPolarHBondContact O-CB 3.33Å; S98-A102 PolarHBondContact O-N 3.28Å; S98-N160 PolarHBondContact OG-OD1 3.22Å; S98-N233 VanDerWaalsContact C-ND2 3.29Å; S98-N233 WeakPolarHBondContact CB-OD1 3.36Å; S98-N233 PolarHBondContact O-ND2 2.95Å; S98-N233 PolarHBondContact OG-ND2 3.28Å; S98-N233 PolarHBondContact OG-OD1 2.61Å
99	I	94.8	Very high	92.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-61.9	-49	177.1	-61.6	165.6	0	0	0	110.8	F74 L78 M94 S95 P96 T101 A102 F103 F122 L348 H386	F74-I99 HydrophobicContact CE1-CB 4.32Å; F74-I99 HydrophobicContact CE1-CG2 4.04Å; F74-I99 HydrophobicContact CZ-CG2 3.89Å; L78-I99 HydrophobicContact CD2-CD1 3.71Å; L78-I99 HydrophobicContact CD2-CG2 4.42Å; M94-I99 HydrophobicContact CB-CD1 4.43Å; M94-I99 HydrophobicContact SD-CD1 4.39Å; S95-I99 WeakPolarHBondContact O-CG1 3.43Å; S95-I99 PolarHBondContact O-N 2.86Å; S95-I99 VanDerWaalsContact O-N 3.1Å; P96-I99 PolarHBondContact O-N 2.86Å; I99-T101 VanDerWaalsContact C-N 3.32Å; I99-T101 PolarHBondContact O-N 2.93Å; I99-A102 WeakPolarHBondContact O-CB 3.43Å; I99-A102 PolarHBondContact O-N 2.68Å; I99-F103 HydrophobicContact CG2-CD2 4.02Å; I99-F103 HydrophobicContact CG2-CE2 4.16Å; I99-F103 WeakPolarHBondContact O-CD2 3.31Å; I99-F103 PolarHBondContact O-N 3.24Å; I99-F122 HydrophobicContact CG2-CE1 4.15Å; I99-L348 HydrophobicContact CD1-CD1 4.41Å; I99-L348 HydrophobicContact CD1-CD2 3.96Å; I99-L348 HydrophobicContact CG1-CD1 4.14Å; I99-L348 HydrophobicContact CG2-CD1 3.78Å; I99-L348 HydrophobicContact CG2-CD2 4.39Å; I99-H386 HydrophobicContact CD1-CB 4.39Å; I99-H386 HydrophobicContact CG1-CB 4.4Å
100	S	94.8	Very high	93.1	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-57.9	-42.9	176.4	-61.5	0	0	0	0	112.4	N71 F74 P96 L97 A102 A104	N71-S100 WeakPolarHBondContact OD1-CB 2.93Å; N71-S100 PolarHBondContact OD1-OG 3.44Å; F74-S100 WeakPolarHBondContact CD1-OG 3.38Å; F74-S100 WeakPolarHBondContact CE1-OG 3Å; P96-S100 WeakPolarHBondContact O-CB 3.34Å; P96-S100 PolarHBondContact O-N 3Å; P96-S100 PolarHBondContact O-OG 3.31Å; L97-S100 PolarHBondContact O-N 3.36Å; S100-A102 VanDerWaalsContact C-N 3.28Å; S100-A102 PolarHBondContact O-N 3.32Å; S100-A104 VanDerWaalsContact O-CB 3.32Å; S100-A104 WeakPolarHBondContact O-CB 3.41Å; S100-A104 PolarHBondContact O-N 2.81Å
101	T	90.8	Very high	93.2	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-60.7	-41.1	175.7	-61.1	0	0	0	0	110.8	L97 S98 I99 A104 M105 F139 N143 Y182	L97-T101 WeakPolarHBondContact O-CB 3.39Å; L97-T101 PolarHBondContact O-N 2.87Å; L97-T101 PolarHBondContact O-OG1 2.83Å; S98-T101 WeakPolarHBondContact O-CB 3.45Å; S98-T101 PolarHBondContact O-N 2.72Å; I99-T101 VanDerWaalsContact C-N 3.32Å; I99-T101 PolarHBondContact O-N 2.93Å; T101-A104 WeakPolarHBondContact O-CB 3.5Å; T101-A104 PolarHBondContact O-N 3.14Å; T101-M105 PolarHBondContact O-N 2.82Å; T101-F139 WeakPolarHBondContact OG1-CD1 3.26Å; T101-N143 VanDerWaalsContact CG2-ND2 3.32Å; T101-N143 WeakPolarHBondContact CG2-ND2 3.15Å; T101-N143 PolarHBondContact OG1-ND2 3.09Å; T101-Y182 HydrophobicContact CG2-CD1 3.71Å; T101-Y182 HydrophobicContact CG2-CE1 3.67Å; T101-Y182 WeakPolarHBondContact O-CE1 3.43Å
102	A	91	Very high	93.2	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-68.6	-44.3	-177.2	0	0	0	0	0	112.5	S98 I99 S100 A104 M105 L231 N233	S98-A102 WeakPolarHBondContact O-CB 3.33Å; S98-A102 PolarHBondContact O-N 3.28Å; I99-A102 WeakPolarHBondContact O-CB 3.43Å; I99-A102 PolarHBondContact O-N 2.68Å; S100-A102 VanDerWaalsContact C-N 3.28Å; S100-A102 PolarHBondContact O-N 3.32Å; A102-A104 VanDerWaalsContact C-N 3.32Å; A102-M105 HydrophobicContact CB-CE 4.14Å; A102-M105 WeakPolarHBondContact O-CB 3.19Å; A102-M105 PolarHBondContact O-N 2.84Å; A102-L231 HydrophobicContact CB-CD1 4.03Å; A102-L231 HydrophobicContact CB-CD2 3.8Å; A102-L231 HydrophobicContact CB-CG 4.16Å; A102-N233 HydrophobicContact CB-CB 4.15Å
103	F	93.7	Very high	93.3	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-75.4	-22.7	175.8	-79.7	-95.3	0	0	0	113.1	I99 M105 T106 K107 F122 L231 L348 L352 L357 L360 F361 A384	I99-F103 HydrophobicContact CG2-CD2 4.02Å; I99-F103 HydrophobicContact CG2-CE2 4.16Å; I99-F103 WeakPolarHBondContact O-CD2 3.31Å; I99-F103 PolarHBondContact O-N 3.24Å; F103-M105 PolarHBondContact O-N 2.91Å; F103-T106 WeakPolarHBondContact O-CB 2.87Å; F103-T106 PolarHBondContact O-N 3.47Å; F103-T106 VanDerWaalsContact O-N 3.11Å; F103-K107 PolarHBondContact O-N 3.46Å; F103-F122 HydrophobicContact CB-CD1 4.4Å; F103-F122 HydrophobicContact CB-CD2 4.2Å; F103-F122 HydrophobicContact CB-CE1 3.72Å; F103-F122 HydrophobicContact CB-CE2 3.49Å; F103-F122 VanDerWaalsContact CB-CE2 3.49Å; F103-F122 HydrophobicContact CB-CZ 3.24Å; F103-F122 AromaticContact CD1-CE2 3.76Å; F103-F122 HydrophobicContact CD1-CE2 3.76Å; F103-F122 AromaticContact CD1-CZ 3.72Å; F103-F122 HydrophobicContact CD1-CZ 3.72Å; F103-F122 HydrophobicContact CD2-CE1 4.04Å; F103-F122 HydrophobicContact CD2-CE2 4.31Å; F103-F122 AromaticContact CD2-CZ 3.44Å; F103-F122 HydrophobicContact CD2-CZ 3.44Å; F103-F122 VanDerWaalsContact CD2-CZ 3.44Å; F103-F122 HydrophobicContact CE1-CZ 4.43Å; F103-F122 HydrophobicContact CE2-CZ 4.2Å; F103-F122 AromaticContact CG-CE1 3.98Å; F103-F122 HydrophobicContact CG-CE1 3.98Å; F103-F122 AromaticContact CG-CE2 3.59Å; F103-F122 HydrophobicContact CG-CE2 3.59Å; F103-F122 AromaticContact CG-CZ 3.15Å; F103-F122 HydrophobicContact CG-CZ 3.15Å; F103-L231 HydrophobicContact CD1-CD2 4.43Å; F103-L231 HydrophobicContact CD2-CD2 3.72Å; F103-L231 HydrophobicContact CE1-CD2 4.32Å; F103-L231 HydrophobicContact CE2-CD2 3.59Å; F103-L231 HydrophobicContact CG-CD2 4.15Å; F103-L231 HydrophobicContact CZ-CD2 3.91Å; F103-L348 HydrophobicContact CE2-CD1 3.85Å; F103-L352 HydrophobicContact CD1-CD1 4.41Å; F103-L352 HydrophobicContact CD2-CD1 4.36Å; F103-L352 HydrophobicContact CE1-CD1 3.63Å; F103-L352 HydrophobicContact CE2-CD1 3.58Å; F103-L352 HydrophobicContact CZ-CD1 3.16Å; F103-L357 HydrophobicContact CD1-CD2 4.08Å; F103-L357 HydrophobicContact CE1-CD2 3.99Å; F103-L360 HydrophobicContact CD1-CD2 3.87Å; F103-L360 HydrophobicContact CE1-CD2 3.72Å; F103-F361 HydrophobicContact CE1-CZ 4.01Å; F103-F361 HydrophobicContact CZ-CZ 4.15Å; F103-A384 HydrophobicContact CE2-CB 4.11Å; F103-A384 HydrophobicContact CZ-CB 3.61Å
104	A	91.4	Very high	93.4	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-61.1	-32.6	163.9	0	0	0	0	0	111.2	S100 T101 A102 T106 K107 L108 H136 F139 Y182	S100-A104 VanDerWaalsContact O-CB 3.32Å; S100-A104 WeakPolarHBondContact O-CB 3.41Å; S100-A104 PolarHBondContact O-N 2.81Å; T101-A104 WeakPolarHBondContact O-CB 3.5Å; T101-A104 PolarHBondContact O-N 3.14Å; A102-A104 VanDerWaalsContact C-N 3.32Å; A104-T106 PolarHBondContact O-N 2.72Å; A104-K107 WeakPolarHBondContact O-CB 3.48Å; A104-K107 PolarHBondContact O-N 3.15Å; A104-L108 PolarHBondContact O-N 3.04Å; A104-H136 PolarHBondContact O-CE1 2.79Å; A104-H136 PolarHBondContact O-ND1 2.87Å; A104-F139 HydrophobicContact CB-CD2 3.59Å; A104-F139 HydrophobicContact CB-CE2 3.65Å; A104-Y182 VanDerWaalsContact C-OH 3.31Å; A104-Y182 WeakPolarHBondContact CB-OH 3.41Å; A104-Y182 PolarHBondContact O-OH 3.31Å
105	M	89.6	Confident	93.4	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-61.9	-34.7	172.9	-58.1	-167.5	-79.5	0	0	112.4	T101 A102 F103 L108 N160 L162 Y174 Y182 L231	T101-M105 PolarHBondContact O-N 2.82Å; A102-M105 HydrophobicContact CB-CE 4.14Å; A102-M105 WeakPolarHBondContact O-CB 3.19Å; A102-M105 PolarHBondContact O-N 2.84Å; F103-M105 PolarHBondContact O-N 2.91Å; M105-L108 WeakPolarHBondContact O-CB 3.01Å; M105-N160 HydrophobicContact CE-CB 3.79Å; M105-L162 HydrophobicContact CB-CD1 4.24Å; M105-Y174 WeakPolarHBondContact O-CE2 2.96Å; M105-Y174 PolarHBondContact O-OH 3.28Å; M105-Y182 HydrophobicContact CB-CD2 4.42Å; M105-Y182 HydrophobicContact CB-CE2 4.2Å; M105-Y182 HydrophobicContact CG-CD1 3.51Å; M105-Y182 HydrophobicContact CG-CD2 3.51Å; M105-Y182 HydrophobicContact CG-CE1 3.53Å; M105-Y182 HydrophobicContact CG-CE2 3.55Å; M105-Y182 HydrophobicContact CG-CG 3.48Å; M105-Y182 VanDerWaalsContact CG-CG 3.48Å; M105-Y182 PolarHBondContact N-OH 2.91Å; M105-Y182 HydrophobicContact SD-CD1 3.89Å; M105-Y182 HydrophobicContact SD-CD2 3.93Å; M105-Y182 HydrophobicContact SD-CE1 4.5Å; M105-Y182 HydrophobicContact SD-CG 3.54Å; M105-Y182 VanDerWaalsContact SD-CG 3.54Å; M105-L231 HydrophobicContact CE-CD1 3.7Å
106	T	91.3	Very high	93.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-76.1	-38	178.5	-44	0	0	0	0	111.5	F103 A104 L108 G109 A110 L360 L368 I381	F103-T106 WeakPolarHBondContact O-CB 2.87Å; F103-T106 PolarHBondContact O-N 3.47Å; F103-T106 VanDerWaalsContact O-N 3.11Å; A104-T106 PolarHBondContact O-N 2.72Å; T106-L108 PolarHBondContact O-N 2.99Å; T106-L108 VanDerWaalsContact O-N 3.13Å; T106-G109 PolarHBondContact O-N 2.76Å; T106-G109 VanDerWaalsContact O-N 3.12Å; T106-A110 PolarHBondContact O-N 2.9Å; T106-L360 HydrophobicContact CG2-CD1 3.64Å; T106-L360 HydrophobicContact CG2-CD2 4.24Å; T106-L368 HydrophobicContact CG2-CD1 4.44Å; T106-L368 HydrophobicContact CG2-CD2 3.81Å; T106-I381 HydrophobicContact CG2-CD1 4.25Å; T106-I381 HydrophobicContact CG2-CG1 4.26Å
107	K	93.8	Very high	93.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-52.9	-33.9	174.2	-175.8	-93.7	172.9	176.6	0	112.7	F103 A104 G109 A110 L115 I118 M119 S132 I135	F103-K107 PolarHBondContact O-N 3.46Å; A104-K107 WeakPolarHBondContact O-CB 3.48Å; A104-K107 PolarHBondContact O-N 3.15Å; K107-G109 PolarHBondContact O-N 2.75Å; K107-A110 PolarHBondContact O-N 3.22Å; K107-L115 HydrophobicContact CD-CD1 4.24Å; K107-L115 HydrophobicContact CG-CD1 3.64Å; K107-I118 HydrophobicContact CB-CG2 4.01Å; K107-I118 HydrophobicContact CG-CG2 4.28Å; K107-M119 HydrophobicContact CG-SD 4.24Å; K107-S132 PolarHBondContact NZ-O 3.3Å; K107-I135 HydrophobicContact CD-CG2 3.81Å
108	L	91.6	Very high	93.8	Very high	6 Å²	6	14.1 Å²	14.1	3%	0.031	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-35	-178.4	178.8	63.9	0	0	0	112.6	P36 A104 M105 T106 H136 Y174 I177	P36-L108 HydrophobicContact CB-CD1 4.13Å; A104-L108 PolarHBondContact O-N 3.04Å; M105-L108 WeakPolarHBondContact O-CB 3.01Å; T106-L108 PolarHBondContact O-N 2.99Å; T106-L108 VanDerWaalsContact O-N 3.13Å; L108-H136 VanDerWaalsContact CA-CE1 3.49Å; L108-H136 WeakPolarHBondContact CA-CE1 3.39Å; L108-H136 WeakPolarHBondContact CA-NE2 3.48Å; L108-H136 VanDerWaalsContact CB-CE1 3.46Å; L108-H136 WeakPolarHBondContact CB-CE1 3.49Å; L108-H136 PolarHBondContact N-CE1 3.4Å; L108-H136 VanDerWaalsContact N-CE1 3.31Å; L108-Y174 HydrophobicContact CB-CD2 4.37Å; L108-Y174 HydrophobicContact CB-CE2 4.07Å; L108-Y174 HydrophobicContact CD2-CD2 3.63Å; L108-Y174 HydrophobicContact CD2-CE2 3.79Å; L108-Y174 HydrophobicContact CG-CD2 3.94Å; L108-Y174 HydrophobicContact CG-CE2 4.12Å; L108-I177 HydrophobicContact CD1-CD1 4.31Å; L108-I177 HydrophobicContact CD1-CG2 4.11Å; L108-I177 HydrophobicContact CD2-CB 3.86Å; L108-I177 HydrophobicContact CD2-CD1 4.48Å; L108-I177 HydrophobicContact CD2-CG2 3.35Å; L108-I177 HydrophobicContact CG-CG2 4.39Å
109	G	92.3	Very high	93.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	0.2	-179.8	0	0	0	0	0	114.6	T106 K107 L368 P369 G370	T106-G109 PolarHBondContact O-N 2.76Å; T106-G109 VanDerWaalsContact O-N 3.12Å; K107-G109 PolarHBondContact O-N 2.75Å; G109-L368 CarbonylContact O-C 3.15Å; G109-L368 VanDerWaalsContact O-CA 3.24Å; G109-L368 WeakPolarHBondContact O-CA 3.28Å; G109-P369 WeakPolarHBondContact O-CD 3.21Å; G109-G370 PolarHBondContact O-N 3.03Å
110	A	95.1	Very high	94	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.089	C	C	.	.			trans	-86.2	146.5	-175.7	0	0	0	0	0	112.8	T106 K107 T114 L115 I118 S367 L368	T106-A110 PolarHBondContact O-N 2.9Å; K107-A110 PolarHBondContact O-N 3.22Å; A110-T114 HydrophobicContact CB-CG2 4.16Å; A110-L115 HydrophobicContact CB-CB 4.22Å; A110-I118 HydrophobicContact CB-CD1 3.78Å; A110-S367 WeakPolarHBondContact CA-O 3.46Å; A110-L368 HydrophobicContact CB-CD2 3.8Å
111	C	95	Very high	94.1	Very high	3 Å²	3	19 Å²	19	2%	0.02	9%	0.093	C	C	.	.			trans	-134.5	172.9	176.9	-67.9	0	0	0	0	111.7	C38 T114 L115 S367 P369	C38-C111 HydrophobicContact CB-CB 3.86Å; C38-C111 WeakPolarHBondContact CB-SG 3.47Å; C38-C111 WeakPolarHBondContact SG-CB 3.38Å; C38-C111 CovalentContact SG-SG 2.03Å; C38-C111 PolarHBondContact SG-SG 2.79Å; C111-T114 WeakPolarHBondContact O-CB 3.35Å; C111-T114 PolarHBondContact O-N 2.82Å; C111-L115 PolarHBondContact O-N 3.44Å; C111-S367 PolarHBondContact N-O 3.46Å; C111-S367 VanDerWaalsContact N-O 3.09Å; C111-P369 HydrophobicContact CB-CG 3.98Å; C111-P369 WeakPolarHBondContact SG-CG 3.35Å
112	N	94.3	Very high	94.3	Very high	118 Å²	118	19 Å²	19	63%	0.631	9%	0.093	S	C	*	.	H	α-helix	trans	52.9	-142.6	171.3	-56	-36.6	0	0	0	113.2	T114 L115 E116 S367	N112-T114 PolarHBondContact O-N 2.98Å; N112-L115 WeakPolarHBondContact O-CB 3.1Å; N112-L115 PolarHBondContact O-N 2.9Å; N112-L115 VanDerWaalsContact O-N 3.09Å; N112-E116 PolarHBondContact O-N 2.83Å; N112-E116 VanDerWaalsContact O-N 3.08Å; N112-S367 PolarHBondContact ND2-OG 2.99Å
113	Q	95.6	Very high	94.5	Very high	89 Å²	89	21.8 Å²	21.8	42%	0.416	11%	0.106	S	C	.	.	H	α-helix	trans	-59.6	-32.9	-178.7	-165.5	65.9	31	0	0	112.8	E116 Q117 D359	Q113-E116 PolarHBondContact O-N 2.86Å; Q113-E116 PolarHBondContact OE1-OE2 2.94Å; Q113-Q117 HydrophobicContact CG-CG 4.49Å; Q113-Q117 WeakPolarHBondContact O-CB 3.37Å; Q113-Q117 WeakPolarHBondContact O-CG 3.44Å; Q113-Q117 PolarHBondContact O-N 2.87Å; Q113-D359 VanDerWaalsContact CB-OD2 3.28Å; Q113-D359 WeakPolarHBondContact CB-OD2 3.34Å; Q113-D359 WeakPolarHBondContact CG-OD2 3.21Å
114	T	96.5	Very high	94.5	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-61.2	-45.9	175	-63.1	0	0	0	0	110.7	A110 C111 N112 I118 L360 S367 L368	A110-T114 HydrophobicContact CB-CG2 4.16Å; C111-T114 WeakPolarHBondContact O-CB 3.35Å; C111-T114 PolarHBondContact O-N 2.82Å; N112-T114 PolarHBondContact O-N 2.98Å; T114-I118 HydrophobicContact CG2-CD1 4.2Å; T114-I118 VanDerWaalsContact O-CG1 3.28Å; T114-I118 WeakPolarHBondContact O-CG1 3.39Å; T114-I118 PolarHBondContact O-N 3.3Å; T114-I118 VanDerWaalsContact O-N 3.1Å; T114-L360 HydrophobicContact CG2-CB 4.09Å; T114-L360 HydrophobicContact CG2-CD1 3.78Å; T114-S367 PolarHBondContact OG1-N 3.37Å; T114-L368 HydrophobicContact CG2-CD2 4.31Å
115	L	96.1	Very high	94.5	Very high	6 Å²	6	24 Å²	24	3%	0.031	12%	0.117	C	C	.	.	H	α-helix	trans	-63.1	-45.7	175.4	175.2	59.8	0	0	0	111.5	C38 K107 A110 C111 N112 Q117 I118 M119	C38-L115 HydrophobicContact CB-CD2 3.99Å; K107-L115 HydrophobicContact CD-CD1 4.24Å; K107-L115 HydrophobicContact CG-CD1 3.64Å; A110-L115 HydrophobicContact CB-CB 4.22Å; C111-L115 PolarHBondContact O-N 3.44Å; N112-L115 WeakPolarHBondContact O-CB 3.1Å; N112-L115 PolarHBondContact O-N 2.9Å; N112-L115 VanDerWaalsContact O-N 3.09Å; L115-Q117 PolarHBondContact O-N 3.12Å; L115-I118 PolarHBondContact O-N 2.86Å; L115-M119 HydrophobicContact CD1-CG 4.02Å; L115-M119 HydrophobicContact CD1-SD 4.43Å; L115-M119 HydrophobicContact CG-CG 4.42Å; L115-M119 VanDerWaalsContact O-CG 3.22Å; L115-M119 WeakPolarHBondContact O-CG 2.92Å; L115-M119 PolarHBondContact O-N 3Å
116	E	95.8	Very high	94.3	Very high	53 Å²	53	27 Å²	27	25%	0.248	14%	0.136	C	C	.	.	H	α-helix	trans	-58.5	-45.9	178.6	177.8	176.5	174.6	0	0	112.3	Y40 N112 Q113 I118 M119 K120	Y40-E116 HydrophobicContact CE2-CB 4.12Å; Y40-E116 HydrophobicContact CE2-CG 4Å; N112-E116 PolarHBondContact O-N 2.83Å; N112-E116 VanDerWaalsContact O-N 3.08Å; Q113-E116 PolarHBondContact O-N 2.86Å; Q113-E116 PolarHBondContact OE1-OE2 2.94Å; E116-I118 PolarHBondContact O-N 3.38Å; E116-M119 PolarHBondContact O-N 3.04Å; E116-K120 HydrophobicContact CG-CD 4.24Å; E116-K120 WeakPolarHBondContact O-CG 3.5Å; E116-K120 PolarHBondContact O-N 3.23Å; E116-K120 VanDerWaalsContact OE1-CE 3.22Å; E116-K120 WeakPolarHBondContact OE1-CE 3.26Å; E116-K120 IonicContact OE1-NZ 2.87Å; E116-K120 PolarHBondContact OE1-NZ 2.96Å
117	Q	97.4	Very high	94.1	Very high	20 Å²	20	27.6 Å²	27.6	9%	0.093	14%	0.139	C	C	.	.	H	α-helix	trans	-62.8	-42.6	177.4	-72.5	174.1	4.7	0	0	111.9	Q113 L115 M119 K120 V121 G356 L357 T358 D359	Q113-Q117 HydrophobicContact CG-CG 4.49Å; Q113-Q117 WeakPolarHBondContact O-CB 3.37Å; Q113-Q117 WeakPolarHBondContact O-CG 3.44Å; Q113-Q117 PolarHBondContact O-N 2.87Å; L115-Q117 PolarHBondContact O-N 3.12Å; Q117-M119 VanDerWaalsContact C-N 3.29Å; Q117-M119 PolarHBondContact O-N 2.87Å; Q117-K120 PolarHBondContact O-N 3.19Å; Q117-V121 WeakPolarHBondContact O-CB 3.48Å; Q117-V121 VanDerWaalsContact O-CG2 3.32Å; Q117-V121 WeakPolarHBondContact O-CG2 3.43Å; Q117-V121 PolarHBondContact O-N 3.47Å; Q117-G356 WeakPolarHBondContact CG-O 3.32Å; Q117-L357 HydrophobicContact CB-CD1 3.72Å; Q117-T358 PolarHBondContact NE2-OG1 3.27Å; Q117-D359 PolarHBondContact NE2-OD1 3.08Å; Q117-D359 PolarHBondContact NE2-OD2 3.39Å; Q117-D359 PolarHBondContact OE1-OD1 3.13Å
118	I	96.6	Very high	93.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59	-45.5	175.1	-67.6	167.3	0	0	0	109.9	K107 A110 T114 L115 E116 K120 F122 L357 L360	K107-I118 HydrophobicContact CB-CG2 4.01Å; K107-I118 HydrophobicContact CG-CG2 4.28Å; A110-I118 HydrophobicContact CB-CD1 3.78Å; T114-I118 HydrophobicContact CG2-CD1 4.2Å; T114-I118 VanDerWaalsContact O-CG1 3.28Å; T114-I118 WeakPolarHBondContact O-CG1 3.39Å; T114-I118 PolarHBondContact O-N 3.3Å; T114-I118 VanDerWaalsContact O-N 3.1Å; L115-I118 PolarHBondContact O-N 2.86Å; E116-I118 PolarHBondContact O-N 3.38Å; I118-K120 PolarHBondContact O-N 3.34Å; I118-F122 HydrophobicContact CG2-CD2 4.03Å; I118-F122 WeakPolarHBondContact O-CB 3.15Å; I118-F122 WeakPolarHBondContact O-CD2 3.31Å; I118-F122 PolarHBondContact O-N 3.09Å; I118-F122 VanDerWaalsContact O-N 3.11Å; I118-L357 HydrophobicContact CB-CD1 4.47Å; I118-L357 HydrophobicContact CG1-CD1 3.62Å; I118-L360 HydrophobicContact CD1-CD1 4.47Å; I118-L360 HydrophobicContact CD1-CD2 4.3Å; I118-L360 HydrophobicContact CG1-CD2 4.39Å
119	M	95.2	Very high	92.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.5	-44.7	-178.3	-67.6	-63	-63.2	0	0	112	Y40 K107 L115 E116 Q117 Q123 F124 D125 S132	Y40-M119 HydrophobicContact CD1-CB 4.08Å; Y40-M119 HydrophobicContact CD1-CE 3.72Å; Y40-M119 HydrophobicContact CD1-CG 3.92Å; Y40-M119 HydrophobicContact CD2-CB 4.19Å; Y40-M119 HydrophobicContact CD2-CG 3.96Å; Y40-M119 HydrophobicContact CE1-CB 4.15Å; Y40-M119 HydrophobicContact CE1-CE 4.44Å; Y40-M119 HydrophobicContact CE1-CG 4.49Å; Y40-M119 HydrophobicContact CE2-CB 4.28Å; Y40-M119 HydrophobicContact CG-CB 4.09Å; Y40-M119 HydrophobicContact CG-CE 4.18Å; Y40-M119 HydrophobicContact CG-CG 3.6Å; K107-M119 HydrophobicContact CG-SD 4.24Å; L115-M119 HydrophobicContact CD1-CG 4.02Å; L115-M119 HydrophobicContact CD1-SD 4.43Å; L115-M119 HydrophobicContact CG-CG 4.42Å; L115-M119 VanDerWaalsContact O-CG 3.22Å; L115-M119 WeakPolarHBondContact O-CG 2.92Å; L115-M119 PolarHBondContact O-N 3Å; E116-M119 PolarHBondContact O-N 3.04Å; Q117-M119 VanDerWaalsContact C-N 3.29Å; Q117-M119 PolarHBondContact O-N 2.87Å; M119-Q123 CarbonylContact O-C 3.38Å; M119-Q123 PolarHBondContact O-N 3.27Å; M119-F124 VanDerWaalsContact CE-C 3.46Å; M119-F124 HydrophobicContact CE-CB 3.44Å; M119-F124 VanDerWaalsContact CE-CB 3.44Å; M119-F124 VanDerWaalsContact CE-O 3.29Å; M119-F124 WeakPolarHBondContact CE-O 3.28Å; M119-F124 PolarHBondContact O-N 3.02Å; M119-F124 HydrophobicContact SD-CB 3.68Å; M119-F124 HydrophobicContact SD-CD2 4.2Å; M119-F124 HydrophobicContact SD-CG 4.47Å; M119-D125 HydrophobicContact CB-CB 4.42Å; M119-D125 PolarHBondContact O-N 3.27Å; M119-S132 WeakPolarHBondContact CE-OG 3.23Å
120	K	95.8	Very high	92	Very high	91 Å²	91	45.9 Å²	45.9	40%	0.396	22%	0.22	S	C	.	.	H	α-helix	trans	-69.4	-48.4	178.6	-69.3	-179.6	-176.8	176.9	0	113	E116 Q117 I118 F122 Q123	E116-K120 HydrophobicContact CG-CD 4.24Å; E116-K120 WeakPolarHBondContact O-CG 3.5Å; E116-K120 PolarHBondContact O-N 3.23Å; E116-K120 VanDerWaalsContact OE1-CE 3.22Å; E116-K120 WeakPolarHBondContact OE1-CE 3.26Å; E116-K120 IonicContact OE1-NZ 2.87Å; E116-K120 PolarHBondContact OE1-NZ 2.96Å; Q117-K120 PolarHBondContact O-N 3.19Å; I118-K120 PolarHBondContact O-N 3.34Å; K120-F122 PolarHBondContact O-N 3.43Å; K120-Q123 PolarHBondContact O-N 3.45Å; K120-Q123 VanDerWaalsContact O-N 3.12Å; K120-Q123 PolarHBondContact O-NE2 2.94Å
121	V	96.9	Very high	91	Very high	11 Å²	11	45.9 Å²	45.9	7%	0.067	22%	0.22	C	C	.	.	H	α-helix	trans	-64.7	-42.1	-175.4	170.7	0	0	0	0	111.5	F74 Q117 Q123 L352 M355 L357	F74-V121 WeakPolarHBondContact CD2-O 3.32Å; F74-V121 HydrophobicContact CE2-CG1 4.47Å; Q117-V121 WeakPolarHBondContact O-CB 3.48Å; Q117-V121 VanDerWaalsContact O-CG2 3.32Å; Q117-V121 WeakPolarHBondContact O-CG2 3.43Å; Q117-V121 PolarHBondContact O-N 3.47Å; V121-Q123 PolarHBondContact O-N 2.82Å; V121-L352 HydrophobicContact CG1-CD2 4.07Å; V121-M355 HydrophobicContact CG1-CB 3.93Å; V121-M355 HydrophobicContact CG1-CE 4.21Å; V121-M355 HydrophobicContact CG2-CB 4.41Å; V121-M355 WeakPolarHBondContact CG2-O 3.32Å; V121-L357 HydrophobicContact CB-CB 4.43Å; V121-L357 HydrophobicContact CG1-CB 4.41Å; V121-L357 HydrophobicContact CG2-CB 4Å
122	F	95.9	Very high	90.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	4.4	177.7	-71.1	-88.1	0	0	0	113.8	F74 I99 F103 I118 K120 F124 L352 L357	F74-F122 AromaticContact CD1-CD1 3.99Å; F74-F122 HydrophobicContact CD1-CD1 3.99Å; F74-F122 HydrophobicContact CD1-CE1 4.31Å; F74-F122 AromaticContact CD2-CD1 3.92Å; F74-F122 HydrophobicContact CD2-CD1 3.92Å; F74-F122 HydrophobicContact CD2-CE1 4.28Å; F74-F122 HydrophobicContact CD2-CG 4.41Å; F74-F122 AromaticContact CE1-CD1 3.77Å; F74-F122 HydrophobicContact CE1-CD1 3.77Å; F74-F122 AromaticContact CE1-CE1 3.62Å; F74-F122 HydrophobicContact CE1-CE1 3.62Å; F74-F122 AromaticContact CE2-CD1 3.7Å; F74-F122 HydrophobicContact CE2-CD1 3.7Å; F74-F122 AromaticContact CE2-CE1 3.59Å; F74-F122 HydrophobicContact CE2-CE1 3.59Å; F74-F122 HydrophobicContact CE2-CG 4.36Å; F74-F122 HydrophobicContact CE2-CZ 4.14Å; F74-F122 HydrophobicContact CG-CD1 4.04Å; F74-F122 AromaticContact CZ-CD1 3.61Å; F74-F122 HydrophobicContact CZ-CD1 3.61Å; F74-F122 AromaticContact CZ-CE1 3.19Å; F74-F122 HydrophobicContact CZ-CE1 3.19Å; F74-F122 AromaticContact CZ-CZ 3.96Å; F74-F122 HydrophobicContact CZ-CZ 3.96Å; I99-F122 HydrophobicContact CG2-CE1 4.15Å; F103-F122 HydrophobicContact CB-CD1 4.4Å; F103-F122 HydrophobicContact CB-CD2 4.2Å; F103-F122 HydrophobicContact CB-CE1 3.72Å; F103-F122 HydrophobicContact CB-CE2 3.49Å; F103-F122 VanDerWaalsContact CB-CE2 3.49Å; F103-F122 HydrophobicContact CB-CZ 3.24Å; F103-F122 AromaticContact CD1-CE2 3.76Å; F103-F122 HydrophobicContact CD1-CE2 3.76Å; F103-F122 AromaticContact CD1-CZ 3.72Å; F103-F122 HydrophobicContact CD1-CZ 3.72Å; F103-F122 HydrophobicContact CD2-CE1 4.04Å; F103-F122 HydrophobicContact CD2-CE2 4.31Å; F103-F122 AromaticContact CD2-CZ 3.44Å; F103-F122 HydrophobicContact CD2-CZ 3.44Å; F103-F122 VanDerWaalsContact CD2-CZ 3.44Å; F103-F122 HydrophobicContact CE1-CZ 4.43Å; F103-F122 HydrophobicContact CE2-CZ 4.2Å; F103-F122 AromaticContact CG-CE1 3.98Å; F103-F122 HydrophobicContact CG-CE1 3.98Å; F103-F122 AromaticContact CG-CE2 3.59Å; F103-F122 HydrophobicContact CG-CE2 3.59Å; F103-F122 AromaticContact CG-CZ 3.15Å; F103-F122 HydrophobicContact CG-CZ 3.15Å; I118-F122 HydrophobicContact CG2-CD2 4.03Å; I118-F122 WeakPolarHBondContact O-CB 3.15Å; I118-F122 WeakPolarHBondContact O-CD2 3.31Å; I118-F122 PolarHBondContact O-N 3.09Å; I118-F122 VanDerWaalsContact O-N 3.11Å; K120-F122 PolarHBondContact O-N 3.43Å; F122-F124 HydrophobicContact CB-CD1 4.08Å; F122-F124 HydrophobicContact CB-CD2 3.67Å; F122-F124 HydrophobicContact CB-CE1 3.87Å; F122-F124 HydrophobicContact CB-CE2 3.44Å; F122-F124 VanDerWaalsContact CB-CE2 3.44Å; F122-F124 HydrophobicContact CB-CG 3.99Å; F122-F124 HydrophobicContact CB-CZ 3.55Å; F122-F124 HydrophobicContact CD1-CZ 4.3Å; F122-F124 HydrophobicContact CG-CE2 4.01Å; F122-F124 HydrophobicContact CG-CZ 4.14Å; F122-F124 WeakPolarHBondContact O-CD1 3.14Å; F122-F124 PolarHBondContact O-N 3.17Å; F122-L352 HydrophobicContact CZ-CD1 4.27Å; F122-L352 HydrophobicContact CZ-CD2 4.09Å; F122-L357 HydrophobicContact CE2-CD2 3.93Å
123	Q	95.1	Very high	89.7	Confident	58 Å²	58	41.7 Å²	41.7	27%	0.271	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	27.6	178.1	-55.2	-75.8	-68.4	0	0	112.6	A70 R73 F74 M119 K120 V121 D125 T126	A70-Q123 HydrophobicContact CB-CB 4.44Å; A70-Q123 WeakPolarHBondContact CB-O 3.34Å; R73-Q123 HydrophobicContact CB-CB 4.22Å; R73-Q123 HydrophobicContact CB-CG 3.84Å; F74-Q123 HydrophobicContact CB-CG 4.38Å; M119-Q123 CarbonylContact O-C 3.38Å; M119-Q123 PolarHBondContact O-N 3.27Å; K120-Q123 PolarHBondContact O-N 3.45Å; K120-Q123 VanDerWaalsContact O-N 3.12Å; K120-Q123 PolarHBondContact O-NE2 2.94Å; V121-Q123 PolarHBondContact O-N 2.82Å; Q123-D125 VanDerWaalsContact C-N 3.32Å; Q123-D125 WeakPolarHBondContact CA-OD1 3.28Å; Q123-T126 PolarHBondContact O-OG1 3.42Å; Q123-T126 VanDerWaalsContact O-OG1 3.07Å
124	F	93.3	Very high	89.2	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.186	C	C	.	.			trans	-81	-16.7	176.4	-59.8	-27.9	0	0	0	111.9	L67 A70 M119 F122 T126 I127 I135 F139	L67-F124 HydrophobicContact CD1-CD1 4.24Å; L67-F124 HydrophobicContact CD1-CE1 4.08Å; A70-F124 HydrophobicContact CB-CD1 4.49Å; M119-F124 VanDerWaalsContact CE-C 3.46Å; M119-F124 HydrophobicContact CE-CB 3.44Å; M119-F124 VanDerWaalsContact CE-CB 3.44Å; M119-F124 VanDerWaalsContact CE-O 3.29Å; M119-F124 WeakPolarHBondContact CE-O 3.28Å; M119-F124 PolarHBondContact O-N 3.02Å; M119-F124 HydrophobicContact SD-CB 3.68Å; M119-F124 HydrophobicContact SD-CD2 4.2Å; M119-F124 HydrophobicContact SD-CG 4.47Å; F122-F124 HydrophobicContact CB-CD1 4.08Å; F122-F124 HydrophobicContact CB-CD2 3.67Å; F122-F124 HydrophobicContact CB-CE1 3.87Å; F122-F124 HydrophobicContact CB-CE2 3.44Å; F122-F124 VanDerWaalsContact CB-CE2 3.44Å; F122-F124 HydrophobicContact CB-CG 3.99Å; F122-F124 HydrophobicContact CB-CZ 3.55Å; F122-F124 HydrophobicContact CD1-CZ 4.3Å; F122-F124 HydrophobicContact CG-CE2 4.01Å; F122-F124 HydrophobicContact CG-CZ 4.14Å; F122-F124 WeakPolarHBondContact O-CD1 3.14Å; F122-F124 PolarHBondContact O-N 3.17Å; F124-T126 PolarHBondContact O-N 2.86Å; F124-I127 HydrophobicContact CB-CD1 4.14Å; F124-I127 WeakPolarHBondContact O-CD1 3.49Å; F124-I127 WeakPolarHBondContact O-CG1 3.4Å; F124-I127 PolarHBondContact O-N 2.91Å; F124-I135 HydrophobicContact CB-CD1 3.84Å; F124-I135 HydrophobicContact CD1-CD1 3.52Å; F124-I135 HydrophobicContact CD2-CD1 3.46Å; F124-I135 VanDerWaalsContact CD2-CD1 3.46Å; F124-I135 HydrophobicContact CE1-CD1 3.83Å; F124-I135 HydrophobicContact CE2-CD1 3.77Å; F124-I135 HydrophobicContact CG-CD1 3.32Å; F124-I135 HydrophobicContact CZ-CD1 3.94Å; F124-F139 AromaticContact CE1-CE2 3.81Å; F124-F139 HydrophobicContact CE1-CE2 3.81Å; F124-F139 AromaticContact CE1-CZ 3.69Å; F124-F139 HydrophobicContact CE1-CZ 3.69Å; F124-F139 HydrophobicContact CE2-CE2 4.33Å; F124-F139 AromaticContact CZ-CE2 3.53Å; F124-F139 HydrophobicContact CZ-CE2 3.53Å; F124-F139 AromaticContact CZ-CZ 3.62Å; F124-F139 HydrophobicContact CZ-CZ 3.62Å
125	D	90.4	Very high	88.7	Confident	47 Å²	47	39.1 Å²	39.1	25%	0.251	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-23.8	171.5	60.6	-36.7	0	0	0	112.7	Y40 M119 Q123 I127	Y40-D125 HydrophobicContact CE1-CB 3.86Å; M119-D125 HydrophobicContact CB-CB 4.42Å; M119-D125 PolarHBondContact O-N 3.27Å; Q123-D125 VanDerWaalsContact C-N 3.32Å; Q123-D125 WeakPolarHBondContact CA-OD1 3.28Å; D125-I127 VanDerWaalsContact C-N 3.28Å; D125-I127 PolarHBondContact O-N 3.22Å
126	T	86.6	Confident	88.3	Confident	65 Å²	65	38.9 Å²	38.9	40%	0.399	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-1.3	178.4	79.2	0	0	0	0	113.9	Q123 F124	Q123-T126 PolarHBondContact O-OG1 3.42Å; Q123-T126 VanDerWaalsContact O-OG1 3.07Å; F124-T126 PolarHBondContact O-N 2.86Å
127	I	87.1	Confident	87.9	Confident	12 Å²	12	36.6 Å²	36.6	6%	0.062	17%	0.174	C	C	.	.	S	Bend	trans	-97.2	152.3	178.1	80.6	-154.9	0	0	0	110.6	E66 A70 F124 D125 T131 I135	E66-I127 HydrophobicContact CB-CG2 4.43Å; A70-I127 HydrophobicContact CB-CG2 3.96Å; F124-I127 HydrophobicContact CB-CD1 4.14Å; F124-I127 WeakPolarHBondContact O-CD1 3.49Å; F124-I127 WeakPolarHBondContact O-CG1 3.4Å; F124-I127 PolarHBondContact O-N 2.91Å; D125-I127 VanDerWaalsContact C-N 3.28Å; D125-I127 PolarHBondContact O-N 3.22Å; I127-T131 HydrophobicContact CB-CG2 4.4Å; I127-T131 HydrophobicContact CD1-CG2 4.12Å; I127-T131 HydrophobicContact CG1-CG2 4.17Å; I127-I135 HydrophobicContact CD1-CD1 3.75Å; I127-I135 HydrophobicContact CD1-CG1 4.15Å
128	K	82.4	Confident	87.5	Confident	129 Å²	129	35.9 Å²	35.9	56%	0.561	17%	0.17	S	C	*	.			trans	-58.1	144.9	179.2	-68.4	174.1	178.8	136.5	0	111.6	E66 K130 T131 S132	E66-K128 WeakPolarHBondContact OE1-CD 3.41Å; E66-K128 VanDerWaalsContact OE1-CE 3.25Å; E66-K128 WeakPolarHBondContact OE1-CE 3.08Å; E66-K128 IonicContact OE1-NZ 3.83Å; E66-K128 PolarHBondContact OE1-NZ 3.5Å; K128-K130 VanDerWaalsContact C-N 3.34Å; K128-K130 PolarHBondContact O-N 3.38Å; K128-T131 WeakPolarHBondContact O-CA 2.87Å; K128-T131 WeakPolarHBondContact O-CB 3.34Å; K128-T131 PolarHBondContact O-N 3.19Å; K128-S132 PolarHBondContact O-N 2.82Å
129	E	77.9	Confident	87.1	Confident	107 Å²	107	35.9 Å²	35.9	50%	0.5	17%	0.17	S	C	.	.	H	α-helix	trans	-51.4	-46	-174.7	-59.6	-174.3	146.6	0	0	114.1	R41 T131 S132 D133	R41-E129 VanDerWaalsContact CD-OE1 3.31Å; R41-E129 WeakPolarHBondContact CD-OE1 3.43Å; E129-T131 PolarHBondContact O-N 3.31Å; E129-S132 WeakPolarHBondContact O-CA 3.35Å; E129-S132 WeakPolarHBondContact O-CB 3.31Å; E129-S132 PolarHBondContact O-N 3.26Å; E129-D133 PolarHBondContact O-N 3.44Å
130	K	73.3	Confident	86.7	Confident	153 Å²	153	36 Å²	36	67%	0.665	17%	0.172	S	C	*	.	H	α-helix	trans	-63.7	-22.7	177.7	-70.3	-175.9	179.7	173.9	0	113.5	K128	K128-K130 VanDerWaalsContact C-N 3.34Å; K128-K130 PolarHBondContact O-N 3.38Å
131	T	74.4	Confident	86.3	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-81.7	-40.2	172.9	-53.4	0	0	0	0	110.1	R63 I127 K128 E129 M134 I135 F138	R63-T131 HydrophobicContact CB-CG2 3.96Å; R63-T131 WeakPolarHBondContact CD-OG1 3.5Å; R63-T131 WeakPolarHBondContact CG-OG1 3.44Å; I127-T131 HydrophobicContact CB-CG2 4.4Å; I127-T131 HydrophobicContact CD1-CG2 4.12Å; I127-T131 HydrophobicContact CG1-CG2 4.17Å; K128-T131 WeakPolarHBondContact O-CA 2.87Å; K128-T131 WeakPolarHBondContact O-CB 3.34Å; K128-T131 PolarHBondContact O-N 3.19Å; E129-T131 PolarHBondContact O-N 3.31Å; T131-M134 CarbonylContact O-C 3.3Å; T131-M134 VanDerWaalsContact O-C 3.3Å; T131-M134 PolarHBondContact O-N 3.09Å; T131-I135 VanDerWaalsContact O-CA 3.26Å; T131-I135 WeakPolarHBondContact O-CA 3.17Å; T131-I135 PolarHBondContact O-N 3.1Å; T131-F138 HydrophobicContact CG2-CD2 3.71Å; T131-F138 HydrophobicContact CG2-CE2 4.19Å; T131-F138 HydrophobicContact CG2-CG 4.3Å
132	S	78.9	Confident	85.7	Confident	3 Å²	3	33 Å²	33	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-59.6	-45	176.1	173	0	0	0	0	113.3	K107 M119 K128 E129 M134 I135	K107-S132 PolarHBondContact NZ-O 3.3Å; M119-S132 WeakPolarHBondContact CE-OG 3.23Å; K128-S132 PolarHBondContact O-N 2.82Å; E129-S132 WeakPolarHBondContact O-CA 3.35Å; E129-S132 WeakPolarHBondContact O-CB 3.31Å; E129-S132 PolarHBondContact O-N 3.26Å; S132-M134 VanDerWaalsContact C-N 3.26Å; S132-M134 PolarHBondContact O-N 2.91Å; S132-I135 WeakPolarHBondContact O-CB 3.41Å; S132-I135 PolarHBondContact O-N 2.72Å
133	D	82.8	Confident	85.1	Confident	29 Å²	29	33.7 Å²	33.7	16%	0.155	16%	0.161	C	C	.	.	H	α-helix	trans	-62.2	-37.6	179.2	-68	-14	0	0	0	111.8	V39 R41 E129	V39-D133 WeakPolarHBondContact CG1-OD1 3.38Å; R41-D133 IonicContact CZ-OD1 3.53Å; R41-D133 IonicContact CZ-OD2 3.54Å; R41-D133 IonicContact NH1-OD1 2.7Å; R41-D133 PolarHBondContact NH1-OD1 3.36Å; R41-D133 IonicContact NH1-OD2 3.44Å; R41-D133 PolarHBondContact NH1-OD2 3.09Å; R41-D133 IonicContact NH2-OD1 3.43Å; R41-D133 PolarHBondContact NH2-OD1 3.05Å; R41-D133 IonicContact NH2-OD2 2.78Å; R41-D133 PolarHBondContact NH2-OD2 2.91Å; E129-D133 PolarHBondContact O-N 3.44Å
134	M	83.9	Confident	84.6	Confident	36 Å²	36	31.9 Å²	31.9	18%	0.177	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	26.4	-175.9	-67.8	-73.4	175.5	0	0	112	P29 L34 E35 T131 S132 H136 F137 F138	P29-M134 HydrophobicContact CB-SD 4.49Å; L34-M134 HydrophobicContact CB-SD 4.27Å; E35-M134 HydrophobicContact CG-CE 4.23Å; T131-M134 CarbonylContact O-C 3.3Å; T131-M134 VanDerWaalsContact O-C 3.3Å; T131-M134 PolarHBondContact O-N 3.09Å; S132-M134 VanDerWaalsContact C-N 3.26Å; S132-M134 PolarHBondContact O-N 2.91Å; M134-H136 PolarHBondContact O-N 3.06Å; M134-F137 HydrophobicContact CB-CB 4.43Å; M134-F137 WeakPolarHBondContact O-CB 3.36Å; M134-F137 PolarHBondContact O-N 2.69Å; M134-F138 HydrophobicContact CB-CD2 4.18Å; M134-F138 HydrophobicContact CB-CE2 3.78Å; M134-F138 WeakPolarHBondContact O-CD2 3.29Å; M134-F138 PolarHBondContact O-N 3.22Å; M134-F138 VanDerWaalsContact O-N 3.13Å
135	I	87.2	Confident	84	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.7	-35.9	-172.5	-162.9	176	0	0	0	112	L67 K107 F124 I127 T131 S132 F137 F138 F139	L67-I135 HydrophobicContact CD1-CD1 3.95Å; L67-I135 HydrophobicContact CD1-CG1 3.87Å; K107-I135 HydrophobicContact CD-CG2 3.81Å; F124-I135 HydrophobicContact CB-CD1 3.84Å; F124-I135 HydrophobicContact CD1-CD1 3.52Å; F124-I135 HydrophobicContact CD2-CD1 3.46Å; F124-I135 VanDerWaalsContact CD2-CD1 3.46Å; F124-I135 HydrophobicContact CE1-CD1 3.83Å; F124-I135 HydrophobicContact CE2-CD1 3.77Å; F124-I135 HydrophobicContact CG-CD1 3.32Å; F124-I135 HydrophobicContact CZ-CD1 3.94Å; I127-I135 HydrophobicContact CD1-CD1 3.75Å; I127-I135 HydrophobicContact CD1-CG1 4.15Å; T131-I135 VanDerWaalsContact O-CA 3.26Å; T131-I135 WeakPolarHBondContact O-CA 3.17Å; T131-I135 PolarHBondContact O-N 3.1Å; S132-I135 WeakPolarHBondContact O-CB 3.41Å; S132-I135 PolarHBondContact O-N 2.72Å; I135-F137 VanDerWaalsContact C-N 3.35Å; I135-F137 PolarHBondContact O-N 3.4Å; I135-F138 PolarHBondContact O-N 2.49Å; I135-F138 VanDerWaalsContact O-N 3.15Å; I135-F139 HydrophobicContact CD1-CD2 4.45Å; I135-F139 HydrophobicContact CD1-CE2 3.9Å; I135-F139 HydrophobicContact CG1-CD2 3.89Å; I135-F139 HydrophobicContact CG1-CE2 3.81Å; I135-F139 WeakPolarHBondContact O-CD2 3.05Å; I135-F139 PolarHBondContact O-N 2.93Å
136	H	86.8	Confident	83.4	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-57.9	-47.3	175.6	-46.3	-67.1	0	0	0	110.9	A104 L108 M134 F138 F139 A140 V181 Y182	A104-H136 PolarHBondContact O-CE1 2.79Å; A104-H136 PolarHBondContact O-ND1 2.87Å; L108-H136 VanDerWaalsContact CA-CE1 3.49Å; L108-H136 WeakPolarHBondContact CA-CE1 3.39Å; L108-H136 WeakPolarHBondContact CA-NE2 3.48Å; L108-H136 VanDerWaalsContact CB-CE1 3.46Å; L108-H136 WeakPolarHBondContact CB-CE1 3.49Å; L108-H136 PolarHBondContact N-CE1 3.4Å; L108-H136 VanDerWaalsContact N-CE1 3.31Å; M134-H136 PolarHBondContact O-N 3.06Å; H136-F138 VanDerWaalsContact C-N 3.34Å; H136-F138 PolarHBondContact O-N 2.88Å; H136-F139 PolarHBondContact O-N 2.64Å; H136-A140 PolarHBondContact O-N 3.31Å; H136-V181 HydrophobicContact CB-CG1 3.94Å; H136-V181 WeakPolarHBondContact O-CG1 3.49Å; H136-Y182 HydrophobicContact CB-CE2 4.26Å; H136-Y182 AromaticContact ND1-CZ 3.91Å; H136-Y182 PolarHBondContact ND1-OH 3.42Å
137	F	87.8	Confident	82.8	Confident	6 Å²	6	34.8 Å²	34.8	3%	0.026	16%	0.156	C	C	.	.	H	α-helix	trans	-61	-42.5	175.9	177.9	-90.5	0	0	0	111.9	I24 A27 P29 L32 L34 M134 I135 A140 K141	I24-F137 HydrophobicContact CD1-CD2 4.05Å; I24-F137 HydrophobicContact CD1-CE2 4.29Å; A27-F137 WeakPolarHBondContact O-CZ 3.47Å; P29-F137 HydrophobicContact CB-CD1 4.49Å; P29-F137 HydrophobicContact CB-CE1 4.48Å; P29-F137 VanDerWaalsContact CD-CZ 3.42Å; P29-F137 HydrophobicContact CG-CD1 3.79Å; P29-F137 HydrophobicContact CG-CE1 3.49Å; P29-F137 VanDerWaalsContact CG-CE1 3.49Å; P29-F137 HydrophobicContact CG-CE2 4.39Å; P29-F137 HydrophobicContact CG-CG 4.36Å; P29-F137 HydrophobicContact CG-CZ 3.79Å; L32-F137 HydrophobicContact CD1-CD2 4.47Å; L34-F137 HydrophobicContact CD1-CB 3.85Å; L34-F137 HydrophobicContact CD1-CD2 3.84Å; L34-F137 HydrophobicContact CD1-CG 4.32Å; M134-F137 HydrophobicContact CB-CB 4.43Å; M134-F137 WeakPolarHBondContact O-CB 3.36Å; M134-F137 PolarHBondContact O-N 2.69Å; I135-F137 VanDerWaalsContact C-N 3.35Å; I135-F137 PolarHBondContact O-N 3.4Å; F137-A140 PolarHBondContact O-N 2.72Å; F137-K141 HydrophobicContact CD1-CG 4.09Å; F137-K141 HydrophobicContact CE1-CD 4.35Å; F137-K141 HydrophobicContact CE1-CG 3.63Å; F137-K141 HydrophobicContact CZ-CD 4.21Å; F137-K141 HydrophobicContact CZ-CG 3.97Å; F137-K141 WeakPolarHBondContact O-CG 3.05Å; F137-K141 PolarHBondContact O-N 2.69Å
138	F	88.5	Confident	82	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.018	18%	0.184	C	C	.	.	H	α-helix	trans	-71.1	-33.4	179.6	-67.9	-62	0	0	0	113.1	R63 V64 L67 T131 M134 I135 H136 K141 L142	R63-F138 HydrophobicContact CB-CD1 3.93Å; R63-F138 HydrophobicContact CB-CD2 4.49Å; R63-F138 HydrophobicContact CB-CE1 3.82Å; R63-F138 HydrophobicContact CB-CE2 4.38Å; R63-F138 HydrophobicContact CB-CG 4.31Å; R63-F138 HydrophobicContact CB-CZ 4.09Å; R63-F138 HydrophobicContact CG-CE1 4.36Å; R63-F138 HydrophobicContact CG-CZ 4.27Å; V64-F138 HydrophobicContact CG2-CD1 4.2Å; L67-F138 HydrophobicContact CD2-CB 3.96Å; T131-F138 HydrophobicContact CG2-CD2 3.71Å; T131-F138 HydrophobicContact CG2-CE2 4.19Å; T131-F138 HydrophobicContact CG2-CG 4.3Å; M134-F138 HydrophobicContact CB-CD2 4.18Å; M134-F138 HydrophobicContact CB-CE2 3.78Å; M134-F138 WeakPolarHBondContact O-CD2 3.29Å; M134-F138 PolarHBondContact O-N 3.22Å; M134-F138 VanDerWaalsContact O-N 3.13Å; I135-F138 PolarHBondContact O-N 2.49Å; I135-F138 VanDerWaalsContact O-N 3.15Å; H136-F138 VanDerWaalsContact C-N 3.34Å; H136-F138 PolarHBondContact O-N 2.88Å; F138-K141 PolarHBondContact O-N 2.87Å; F138-L142 WeakPolarHBondContact O-CB 3.29Å; F138-L142 PolarHBondContact O-N 2.56Å
139	F	88.4	Confident	80.8	Confident	0 Å²	0	44 Å²	44	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.1	-44.4	167.7	-90.7	-64.6	0	0	0	111.6	L67 L97 T101 A104 F124 I135 H136 K141 L142 N143	L67-F139 HydrophobicContact CD1-CD2 4.37Å; L67-F139 HydrophobicContact CD1-CE1 4.37Å; L67-F139 HydrophobicContact CD1-CE2 3.72Å; L67-F139 HydrophobicContact CD1-CZ 3.71Å; L67-F139 HydrophobicContact CD2-CB 4.47Å; L67-F139 HydrophobicContact CD2-CD1 3.91Å; L67-F139 HydrophobicContact CD2-CD2 3.93Å; L67-F139 HydrophobicContact CD2-CE1 4.03Å; L67-F139 HydrophobicContact CD2-CE2 4.06Å; L67-F139 HydrophobicContact CD2-CG 3.84Å; L67-F139 HydrophobicContact CD2-CZ 4.09Å; L67-F139 HydrophobicContact CG-CE1 4.22Å; L67-F139 HydrophobicContact CG-CE2 4.31Å; L67-F139 HydrophobicContact CG-CZ 4.06Å; L97-F139 HydrophobicContact CD1-CD1 4.4Å; L97-F139 HydrophobicContact CD1-CE1 4.04Å; T101-F139 WeakPolarHBondContact OG1-CD1 3.26Å; A104-F139 HydrophobicContact CB-CD2 3.59Å; A104-F139 HydrophobicContact CB-CE2 3.65Å; F124-F139 AromaticContact CE1-CE2 3.81Å; F124-F139 HydrophobicContact CE1-CE2 3.81Å; F124-F139 AromaticContact CE1-CZ 3.69Å; F124-F139 HydrophobicContact CE1-CZ 3.69Å; F124-F139 HydrophobicContact CE2-CE2 4.33Å; F124-F139 AromaticContact CZ-CE2 3.53Å; F124-F139 HydrophobicContact CZ-CE2 3.53Å; F124-F139 AromaticContact CZ-CZ 3.62Å; F124-F139 HydrophobicContact CZ-CZ 3.62Å; I135-F139 HydrophobicContact CD1-CD2 4.45Å; I135-F139 HydrophobicContact CD1-CE2 3.9Å; I135-F139 HydrophobicContact CG1-CD2 3.89Å; I135-F139 HydrophobicContact CG1-CE2 3.81Å; I135-F139 WeakPolarHBondContact O-CD2 3.05Å; I135-F139 PolarHBondContact O-N 2.93Å; H136-F139 PolarHBondContact O-N 2.64Å; F139-K141 VanDerWaalsContact C-N 3.32Å; F139-K141 PolarHBondContact O-N 3.34Å; F139-L142 PolarHBondContact O-N 3.22Å; F139-N143 VanDerWaalsContact O-CB 3.28Å; F139-N143 WeakPolarHBondContact O-CB 3.33Å; F139-N143 VanDerWaalsContact O-CG 3.24Å; F139-N143 PolarHBondContact O-N 2.99Å; F139-N143 PolarHBondContact O-ND2 2.89Å
140	A	86.6	Confident	79.7	Confident	3 Å²	3	44.2 Å²	44.2	3%	0.025	19%	0.191	C	C	.	.	H	α-helix	trans	-60.3	-41.5	174.1	0	0	0	0	0	111.8	I24 H136 F137 N143 C144 V181	I24-A140 HydrophobicContact CD1-CB 4.47Å; I24-A140 HydrophobicContact CG1-CB 3.65Å; H136-A140 PolarHBondContact O-N 3.31Å; F137-A140 PolarHBondContact O-N 2.72Å; A140-N143 PolarHBondContact O-N 2.99Å; A140-C144 WeakPolarHBondContact O-CB 3.11Å; A140-C144 PolarHBondContact O-N 2.74Å; A140-C144 PolarHBondContact O-SG 2.97Å; A140-V181 HydrophobicContact CB-CG1 3.69Å
141	K	87.1	Confident	78.8	Confident	39 Å²	39	41.5 Å²	41.5	17%	0.17	18%	0.183	C	C	.	.	H	α-helix	trans	-63.5	-41.7	174.7	-72.9	-57.1	-170.1	-168.3	0	113.1	I24 C25 A27 V64 F137 F138 F139 C144 R145	I24-K141 WeakPolarHBondContact O-CE 3.46Å; I24-K141 PolarHBondContact O-NZ 2.74Å; C25-K141 PolarHBondContact O-NZ 3.33Å; A27-K141 WeakPolarHBondContact O-CE 3.24Å; A27-K141 PolarHBondContact O-NZ 3.18Å; V64-K141 HydrophobicContact CG2-CB 4.28Å; F137-K141 HydrophobicContact CD1-CG 4.09Å; F137-K141 HydrophobicContact CE1-CD 4.35Å; F137-K141 HydrophobicContact CE1-CG 3.63Å; F137-K141 HydrophobicContact CZ-CD 4.21Å; F137-K141 HydrophobicContact CZ-CG 3.97Å; F137-K141 WeakPolarHBondContact O-CG 3.05Å; F137-K141 PolarHBondContact O-N 2.69Å; F138-K141 PolarHBondContact O-N 2.87Å; F139-K141 VanDerWaalsContact C-N 3.32Å; F139-K141 PolarHBondContact O-N 3.34Å; K141-C144 PolarHBondContact O-N 3.3Å; K141-R145 PolarHBondContact O-N 2.93Å
142	L	85.2	Confident	78.4	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.9	-50.2	175.7	-179.7	54.9	0	0	0	110.4	V64 L67 L97 F138 F139 C144 R145 L146 L434 T436	V64-L142 HydrophobicContact CG1-CB 4.1Å; V64-L142 HydrophobicContact CG1-CD1 3.79Å; V64-L142 HydrophobicContact CG1-CG 4.44Å; L67-L142 HydrophobicContact CD2-CD2 4.45Å; L97-L142 HydrophobicContact CD1-CD2 3.63Å; L97-L142 HydrophobicContact CD1-CG 4.4Å; F138-L142 WeakPolarHBondContact O-CB 3.29Å; F138-L142 PolarHBondContact O-N 2.56Å; F139-L142 PolarHBondContact O-N 3.22Å; L142-C144 VanDerWaalsContact C-N 3.34Å; L142-C144 PolarHBondContact O-N 3.02Å; L142-R145 WeakPolarHBondContact O-CB 3.19Å; L142-R145 PolarHBondContact O-N 2.76Å; L142-L146 HydrophobicContact CD1-CD1 3.78Å; L142-L146 HydrophobicContact CD1-CG 4.14Å; L142-L146 HydrophobicContact CG-CD1 3.82Å; L142-L146 VanDerWaalsContact O-CG 3.26Å; L142-L146 WeakPolarHBondContact O-CG 3.23Å; L142-L146 PolarHBondContact O-N 2.87Å; L142-L434 HydrophobicContact CD1-CD1 3.59Å; L142-T436 HydrophobicContact CD2-CG2 4.38Å
143	N	83.9	Confident	77.8	Confident	14 Å²	14	53.2 Å²	53.2	8%	0.075	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-40.9	176.5	-72.3	-21.6	0	0	0	111.9	T101 F139 A140 R145 L146 Y147	T101-N143 VanDerWaalsContact CG2-ND2 3.32Å; T101-N143 WeakPolarHBondContact CG2-ND2 3.15Å; T101-N143 PolarHBondContact OG1-ND2 3.09Å; F139-N143 VanDerWaalsContact O-CB 3.28Å; F139-N143 WeakPolarHBondContact O-CB 3.33Å; F139-N143 VanDerWaalsContact O-CG 3.24Å; F139-N143 PolarHBondContact O-N 2.99Å; F139-N143 PolarHBondContact O-ND2 2.89Å; A140-N143 PolarHBondContact O-N 2.99Å; N143-R145 VanDerWaalsContact C-N 3.3Å; N143-R145 PolarHBondContact O-N 3.08Å; N143-L146 PolarHBondContact O-N 2.91Å; N143-Y147 HydrophobicContact CB-CD2 3.77Å; N143-Y147 HydrophobicContact CB-CE2 3.56Å; N143-Y147 WeakPolarHBondContact O-CA 2.98Å; N143-Y147 WeakPolarHBondContact O-CB 3.28Å; N143-Y147 WeakPolarHBondContact O-CD2 3.25Å; N143-Y147 VanDerWaalsContact O-CG 3.22Å; N143-Y147 PolarHBondContact O-N 2.95Å
144	C	84.3	Confident	77.5	Confident	20 Å²	20	53.3 Å²	53.3	14%	0.135	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-36.2	173.2	-79.5	0	0	0	0	112.8	C25 A140 K141 L142 R148	C25-C144 WeakPolarHBondContact CA-SG 3.3Å; C25-C144 HydrophobicContact CB-CB 3.6Å; C25-C144 WeakPolarHBondContact CB-SG 3.1Å; C25-C144 WeakPolarHBondContact SG-CB 3.12Å; C25-C144 CovalentContact SG-SG 2.03Å; C25-C144 PolarHBondContact SG-SG 3.05Å; A140-C144 WeakPolarHBondContact O-CB 3.11Å; A140-C144 PolarHBondContact O-N 2.74Å; A140-C144 PolarHBondContact O-SG 2.97Å; K141-C144 PolarHBondContact O-N 3.3Å; L142-C144 VanDerWaalsContact C-N 3.34Å; L142-C144 PolarHBondContact O-N 3.02Å; C144-R148 WeakPolarHBondContact O-CB 3.32Å; C144-R148 PolarHBondContact O-N 2.89Å
145	R	81.7	Confident	77.2	Confident	92 Å²	92	53.3 Å²	53.3	35%	0.347	24%	0.238	S	C	.	.	H	α-helix	trans	-67.9	-44.7	174.5	178.2	-175	173.4	89.4	3.3	110.8	K141 L142 N143 E431 T433	K141-R145 PolarHBondContact O-N 2.93Å; L142-R145 WeakPolarHBondContact O-CB 3.19Å; L142-R145 PolarHBondContact O-N 2.76Å; N143-R145 VanDerWaalsContact C-N 3.3Å; N143-R145 PolarHBondContact O-N 3.08Å; R145-E431 IonicContact CZ-OE1 3.32Å; R145-E431 VanDerWaalsContact CZ-OE1 3.23Å; R145-E431 IonicContact NE-OE1 2.71Å; R145-E431 PolarHBondContact NE-OE1 3Å; R145-E431 IonicContact NH2-OE1 2.84Å; R145-E431 PolarHBondContact NH2-OE1 2.98Å; R145-T433 PolarHBondContact NH2-OG1 3.47Å
146	L	77.3	Confident	76.8	Confident	16 Å²	16	54.3 Å²	54.3	8%	0.084	24%	0.244	C	C	.	.	H	α-helix	trans	-77.8	-38.8	-173.2	-65.2	171.8	0	0	0	113.2	L97 L142 N143 E431 L438	L97-L146 HydrophobicContact CD2-CD1 3.19Å; L142-L146 HydrophobicContact CD1-CD1 3.78Å; L142-L146 HydrophobicContact CD1-CG 4.14Å; L142-L146 HydrophobicContact CG-CD1 3.82Å; L142-L146 VanDerWaalsContact O-CG 3.26Å; L142-L146 WeakPolarHBondContact O-CG 3.23Å; L142-L146 PolarHBondContact O-N 2.87Å; N143-L146 PolarHBondContact O-N 2.91Å; L146-E431 HydrophobicContact CD2-CB 3.68Å; L146-E431 HydrophobicContact CD2-CG 3.62Å; L146-L438 HydrophobicContact CD1-CD2 3.63Å; L146-L438 HydrophobicContact CD2-CD2 3.89Å; L146-L438 HydrophobicContact CG-CD2 4.33Å
147	Y	74.6	Confident	76.3	Confident	65 Å²	65	55.3 Å²	55.3	26%	0.255	25%	0.25	S	C	.	.	S	Bend	trans	-90	-2.7	179.6	-53.3	-29	0	0	0	112.4	N143 K149 L156 S158	N143-Y147 HydrophobicContact CB-CD2 3.77Å; N143-Y147 HydrophobicContact CB-CE2 3.56Å; N143-Y147 WeakPolarHBondContact O-CA 2.98Å; N143-Y147 WeakPolarHBondContact O-CB 3.28Å; N143-Y147 WeakPolarHBondContact O-CD2 3.25Å; N143-Y147 VanDerWaalsContact O-CG 3.22Å; N143-Y147 PolarHBondContact O-N 2.95Å; Y147-K149 PolarHBondContact O-N 2.79Å; Y147-L156 HydrophobicContact CD1-CB 3.96Å; Y147-L156 HydrophobicContact CD1-CD2 3.58Å; Y147-L156 HydrophobicContact CD1-CG 3.7Å; Y147-L156 HydrophobicContact CE1-CB 4.24Å; Y147-L156 HydrophobicContact CE1-CD2 3.31Å; Y147-L156 HydrophobicContact CE1-CG 3.46Å; Y147-L156 VanDerWaalsContact CE1-CG 3.46Å; Y147-S158 WeakPolarHBondContact OH-CB 3.43Å
148	R	68.9	Low	76	Confident	170 Å²	170	56.6 Å²	56.6	64%	0.642	26%	0.259	S	S	*	.			trans	-60	113.5	173.5	-135.7	174.9	86.5	159.9	3.8	107.6	C144 K150	C144-R148 WeakPolarHBondContact O-CB 3.32Å; C144-R148 PolarHBondContact O-N 2.89Å; R148-K150 PolarHBondContact O-N 3.25Å
149	K	58.1	Low	75.6	Confident	166 Å²	166	56.6 Å²	56.6	72%	0.722	26%	0.261	S	S	*	.			trans	-66.7	72.6	168.8	-65	-174.7	179.3	-177.5	0	108.8	Y147	Y147-K149 PolarHBondContact O-N 2.79Å
150	K	53.8	Low	75.4	Confident	111 Å²	111	57.3 Å²	57.3	48%	0.483	26%	0.264	S	S	.	.	S	Bend	trans	-64.3	-37.1	170.4	-85	-175.1	-176.6	171.9	0	109.5	R148 D295	R148-K150 PolarHBondContact O-N 3.25Å; K150-D295 IonicContact NZ-OD2 3.6Å; K150-D295 PolarHBondContact NZ-OD2 3.5Å
151	D	55.8	Low	75.6	Confident	95 Å²	95	58.8 Å²	58.8	51%	0.508	27%	0.269	S	S	.	.	S	Bend	trans	-141.4	151.9	179.2	-74.4	-50.5	0	0	0	111.9	T153	D151-T153 HydrophobicContact CB-CG2 4.31Å; D151-T153 WeakPolarHBondContact CB-OG1 3.11Å; D151-T153 PolarHBondContact O-N 3.08Å
152	K	64.2	Low	76	Confident	224 Å²	224	57.1 Å²	57.1	97%	0.974	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	4.3	173.6	-67.2	-175.6	179.1	-179.6	0	113.5
153	T	68.3	Low	76.5	Confident	26 Å²	26	57.1 Å²	57.1	16%	0.16	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-16.3	-169.2	57.1	0	0	0	0	113.6	D151 L240 R292	D151-T153 HydrophobicContact CB-CG2 4.31Å; D151-T153 WeakPolarHBondContact CB-OG1 3.11Å; D151-T153 PolarHBondContact O-N 3.08Å; T153-L240 HydrophobicContact CG2-CD1 4.38Å; T153-L240 PolarHBondContact O-N 3.49Å; T153-R292 HydrophobicContact CG2-CB 4.12Å; T153-R292 HydrophobicContact CG2-CG 4.48Å
154	T	74.9	Confident	77	Confident	31 Å²	31	56.5 Å²	56.5	19%	0.19	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	127.3	178.5	-45.3	0	0	0	0	108.5	F237 K238 I296	T154-F237 HydrophobicContact CG2-CD2 4.29Å; T154-F237 HydrophobicContact CG2-CE2 3.38Å; T154-F237 HydrophobicContact CG2-CZ 3.92Å; T154-K238 CarbonylContact C-O 3.58Å; T154-K238 VanDerWaalsContact CA-O 3.29Å; T154-K238 WeakPolarHBondContact CA-O 3.41Å; T154-K238 VanDerWaalsContact CG2-O 3.32Å; T154-K238 WeakPolarHBondContact CG2-O 3.21Å; T154-I296 HydrophobicContact CG2-CD1 4.06Å
155	L	77.2	Confident	77.5	Confident	36 Å²	36	55.7 Å²	55.7	19%	0.188	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	116.5	179.3	170.7	72.6	0	0	0	107.9	V157 Y236 K238	L155-V157 HydrophobicContact CD1-CG2 3.65Å; L155-V157 HydrophobicContact CD2-CG2 4.05Å; L155-V157 HydrophobicContact CG-CG2 3.69Å; L155-Y236 HydrophobicContact CD2-CE1 4.36Å; L155-K238 HydrophobicContact CB-CB 4.07Å; L155-K238 HydrophobicContact CD2-CD 4.45Å; L155-K238 PolarHBondContact N-O 3.04Å; L155-K238 PolarHBondContact O-N 3.01Å; L155-K238 VanDerWaalsContact O-O 3.13Å
156	L	78.9	Confident	78.1	Confident	21 Å²	21	57 Å²	57	11%	0.11	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	116.2	173.2	-173.5	60.5	0	0	0	106.6	Y147 I235 Y236 F237 F439	Y147-L156 HydrophobicContact CD1-CB 3.96Å; Y147-L156 HydrophobicContact CD1-CD2 3.58Å; Y147-L156 HydrophobicContact CD1-CG 3.7Å; Y147-L156 HydrophobicContact CE1-CB 4.24Å; Y147-L156 HydrophobicContact CE1-CD2 3.31Å; Y147-L156 HydrophobicContact CE1-CG 3.46Å; Y147-L156 VanDerWaalsContact CE1-CG 3.46Å; L156-I235 HydrophobicContact CD1-CD1 3.81Å; L156-I235 HydrophobicContact CD1-CG1 3.87Å; L156-I235 HydrophobicContact CG-CD1 4.3Å; L156-Y236 WeakPolarHBondContact CA-O 3.28Å; L156-F237 HydrophobicContact CB-CD2 4.44Å; L156-F237 HydrophobicContact CD1-CB 3.81Å; L156-F237 HydrophobicContact CD1-CD2 3.88Å; L156-F237 HydrophobicContact CD1-CG 4.32Å; L156-F439 HydrophobicContact CD1-CE2 3.66Å; L156-F439 HydrophobicContact CD1-CZ 3.71Å
157	V	77.8	Confident	78.8	Confident	22 Å²	22	59 Å²	59	13%	0.133	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	118.8	-177.7	178.2	0	0	0	0	107.3	L155 K209 I235 Y236	L155-V157 HydrophobicContact CD1-CG2 3.65Å; L155-V157 HydrophobicContact CD2-CG2 4.05Å; L155-V157 HydrophobicContact CG-CG2 3.69Å; V157-K209 VanDerWaalsContact CG1-O 3.32Å; V157-K209 WeakPolarHBondContact CG1-O 3.36Å; V157-I235 CarbonylContact O-C 3.5Å; V157-I235 WeakPolarHBondContact O-CA 3.42Å; V157-Y236 HydrophobicContact CB-CD1 4.2Å; V157-Y236 HydrophobicContact CG2-CD1 4.28Å; V157-Y236 PolarHBondContact N-O 3.24Å; V157-Y236 PolarHBondContact O-N 3.24Å
158	S	79.7	Confident	79.6	Confident	33 Å²	33	57.6 Å²	57.6	23%	0.231	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.4	176.8	178.7	0	0	0	0	109.3	Y147 N160 T234	Y147-S158 WeakPolarHBondContact OH-CB 3.43Å; S158-N160 VanDerWaalsContact OG-CG 3.3Å; S158-N160 PolarHBondContact OG-ND2 3.3Å; S158-N160 PolarHBondContact OG-OD1 3.03Å; S158-T234 CarbonylContact C-O 3.34Å; S158-T234 WeakPolarHBondContact CA-O 3.48Å
159	A	80.8	Confident	80.8	Confident	5 Å²	5	58 Å²	58	4%	0.041	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	103.4	175	0	0	0	0	0	108.7	W205 K209 T234	A159-W205 HydrophobicContact CB-CH2 3.85Å; A159-W205 HydrophobicContact CB-CZ3 3.86Å; A159-K209 HydrophobicContact CB-CB 3.76Å; A159-K209 HydrophobicContact CB-CG 4.43Å; A159-T234 WeakPolarHBondContact CB-OG1 3.26Å; A159-T234 PolarHBondContact N-O 2.73Å; A159-T234 PolarHBondContact O-N 2.75Å; A159-T234 PolarHBondContact O-OG1 3.19Å; A159-T234 VanDerWaalsContact O-OG1 3.1Å
160	N	84.9	Confident	82.5	Confident	15 Å²	15	50.9 Å²	50.9	8%	0.08	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.8	-175.6	-52.5	-26.6	0	0	0	108.3	S98 M105 S158 V232 N233	S98-N160 PolarHBondContact OG-OD1 3.22Å; M105-N160 HydrophobicContact CE-CB 3.79Å; S158-N160 VanDerWaalsContact OG-CG 3.3Å; S158-N160 PolarHBondContact OG-ND2 3.3Å; S158-N160 PolarHBondContact OG-OD1 3.03Å; N160-V232 WeakPolarHBondContact CA-O 3.34Å; N160-N233 PolarHBondContact OD1-ND2 2.84Å
161	R	91.4	Very high	84.5	Confident	34 Å²	34	47.4 Å²	47.4	13%	0.128	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	147.4	-179.6	-165	166.7	-162.1	178.2	4	112.5	F163 A184 K185 M187 W205 V232	R161-F163 HydrophobicContact CB-CD2 4.48Å; R161-F163 HydrophobicContact CB-CE2 3.74Å; R161-F163 HydrophobicContact CB-CZ 3.92Å; R161-F163 HydrophobicContact CG-CE1 4.35Å; R161-F163 HydrophobicContact CG-CE2 4.07Å; R161-F163 HydrophobicContact CG-CZ 3.96Å; R161-A184 HydrophobicContact CG-CB 4.23Å; R161-K185 VanDerWaalsContact CZ-O 3.31Å; R161-K185 PolarHBondContact NE-O 3.46Å; R161-K185 PolarHBondContact NH2-O 3.41Å; R161-M187 VanDerWaalsContact NH1-CE 3.27Å; R161-W205 HydrophobicContact CB-CH2 3.56Å; R161-W205 HydrophobicContact CB-CZ2 4.09Å; R161-W205 HydrophobicContact CB-CZ3 3.86Å; R161-W205 HydrophobicContact CG-CH2 4.38Å; R161-W205 HydrophobicContact CG-CZ2 4.44Å; R161-V232 PolarHBondContact N-O 2.91Å; R161-V232 PolarHBondContact O-N 3.12Å
162	L	93.6	Very high	86.3	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	137.1	167.3	-76.8	159.2	0	0	0	110.2	M105 Y174 L186 M187 L229 L231 I381	M105-L162 HydrophobicContact CB-CD1 4.24Å; L162-Y174 WeakPolarHBondContact CD1-OH 3.44Å; L162-L186 HydrophobicContact CB-CB 4.25Å; L162-L186 HydrophobicContact CB-CD1 3.99Å; L162-L186 HydrophobicContact CB-CG 3.9Å; L162-L186 WeakPolarHBondContact O-CA 3.41Å; L162-M187 PolarHBondContact O-N 3.47Å; L162-L229 HydrophobicContact CB-CD1 4.3Å; L162-L229 HydrophobicContact CD2-CD1 4.1Å; L162-L229 HydrophobicContact CD2-CD2 4.26Å; L162-L229 HydrophobicContact CD2-CG 4.09Å; L162-L231 HydrophobicContact CD2-CB 3.8Å; L162-L231 HydrophobicContact CD2-CD1 3.64Å; L162-L231 HydrophobicContact CD2-CG 4.29Å; L162-L231 HydrophobicContact CG-CD1 3.72Å; L162-I381 HydrophobicContact CD2-CD1 3.96Å
163	F	95.6	Very high	87.6	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	115.8	176.7	-60.4	-90.4	0	0	0	108.6	R161 M187 L189 F191 I202 W205 L229 V230 V232	R161-F163 HydrophobicContact CB-CD2 4.48Å; R161-F163 HydrophobicContact CB-CE2 3.74Å; R161-F163 HydrophobicContact CB-CZ 3.92Å; R161-F163 HydrophobicContact CG-CE1 4.35Å; R161-F163 HydrophobicContact CG-CE2 4.07Å; R161-F163 HydrophobicContact CG-CZ 3.96Å; F163-M187 WeakPolarHBondContact CA-O 3.49Å; F163-M187 HydrophobicContact CD1-CB 3.71Å; F163-M187 HydrophobicContact CD1-CG 4.1Å; F163-M187 HydrophobicContact CD1-SD 4.12Å; F163-M187 HydrophobicContact CE1-CB 3.99Å; F163-M187 HydrophobicContact CE1-CG 4.29Å; F163-M187 HydrophobicContact CE1-SD 3.75Å; F163-L189 HydrophobicContact CB-CD1 4.13Å; F163-L189 HydrophobicContact CD1-CD1 3.55Å; F163-L189 HydrophobicContact CD1-CG 4.24Å; F163-L189 HydrophobicContact CE1-CD1 4.34Å; F163-L189 HydrophobicContact CG-CD1 4.18Å; F163-F191 HydrophobicContact CB-CZ 3.97Å; F163-I202 HydrophobicContact CB-CD1 4.12Å; F163-I202 HydrophobicContact CB-CG1 4.49Å; F163-I202 HydrophobicContact CD1-CD1 4.26Å; F163-I202 HydrophobicContact CD1-CG1 3.7Å; F163-I202 HydrophobicContact CD2-CD1 4.22Å; F163-I202 HydrophobicContact CD2-CG1 4.09Å; F163-I202 HydrophobicContact CD2-CG2 4.5Å; F163-I202 HydrophobicContact CE1-CG1 3.8Å; F163-I202 HydrophobicContact CE2-CG1 4.18Å; F163-I202 HydrophobicContact CE2-CG2 4.07Å; F163-I202 HydrophobicContact CG-CD1 3.95Å; F163-I202 HydrophobicContact CG-CG1 3.84Å; F163-I202 HydrophobicContact CZ-CB 4.49Å; F163-I202 HydrophobicContact CZ-CG1 4.03Å; F163-I202 HydrophobicContact CZ-CG2 4.21Å; F163-W205 HydrophobicContact CZ-CD2 4.19Å; F163-W205 AromaticContact CZ-CE3 3.85Å; F163-W205 HydrophobicContact CZ-CE3 3.85Å; F163-W205 HydrophobicContact CZ-CZ3 4.31Å; F163-L229 CarbonylContact O-C 3.59Å; F163-L229 WeakPolarHBondContact O-CA 3.44Å; F163-V230 PolarHBondContact N-O 2.89Å; F163-V230 PolarHBondContact O-N 2.61Å; F163-V232 HydrophobicContact CD2-CB 4.38Å; F163-V232 HydrophobicContact CD2-CG2 3.86Å; F163-V232 HydrophobicContact CE2-CB 3.97Å; F163-V232 HydrophobicContact CE2-CG2 3.86Å
164	G	95.1	Very high	88.8	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	157.8	-177.6	0	0	0	0	0	111.9	K166 M187 P188 L189 V228	G164-K166 PolarHBondContact O-N 3.29Å; G164-M187 PolarHBondContact N-O 3.28Å; G164-M187 VanDerWaalsContact N-O 3.1Å; G164-P188 CarbonylContact O-C 3.49Å; G164-P188 VanDerWaalsContact O-CA 3.31Å; G164-P188 WeakPolarHBondContact O-CA 3.47Å; G164-L189 PolarHBondContact O-N 2.87Å; G164-V228 CarbonylContact C-O 3.56Å; G164-V228 WeakPolarHBondContact CA-O 3.09Å
165	D	95	Very high	89.6	Confident	4 Å²	4	40 Å²	40	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	136.3	175	-173.5	-98.4	0	0	0	111	S167 L168 L189 F191 K192 V228	D165-S167 PolarHBondContact O-N 3.07Å; D165-S167 VanDerWaalsContact O-N 3.13Å; D165-S167 WeakPolarHBondContact OD1-CB 3.26Å; D165-S167 PolarHBondContact OD1-N 2.97Å; D165-S167 PolarHBondContact OD1-OG 3.12Å; D165-L168 WeakPolarHBondContact O-CB 3.36Å; D165-L168 PolarHBondContact O-N 3.39Å; D165-L189 CarbonylContact C-O 3.59Å; D165-L189 VanDerWaalsContact CA-O 3.32Å; D165-L189 WeakPolarHBondContact CA-O 3.29Å; D165-F191 HydrophobicContact CB-CD2 3.94Å; D165-F191 PolarHBondContact OD2-N 3.23Å; D165-F191 VanDerWaalsContact OD2-N 3.09Å; D165-K192 PolarHBondContact OD2-N 2.74Å; D165-V228 PolarHBondContact N-O 2.66Å
166	K	94.1	Very high	90.3	Very high	120 Å²	120	41.7 Å²	41.7	52%	0.522	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-12	-175.8	69.7	174	-172.7	-177.4	0	114.6	G164 L168 P188 L189 N190	G164-K166 PolarHBondContact O-N 3.29Å; K166-L168 PolarHBondContact O-N 3.16Å; K166-P188 HydrophobicContact CB-CB 4.05Å; K166-L189 WeakPolarHBondContact CB-O 3.25Å; K166-L189 PolarHBondContact N-O 2.85Å; K166-N190 HydrophobicContact CD-CB 3.84Å; K166-N190 WeakPolarHBondContact CE-OD1 3.45Å; K166-N190 HydrophobicContact CG-CB 4.43Å; K166-N190 PolarHBondContact NZ-ND2 3.36Å
167	S	91.6	Very high	90.8	Very high	57 Å²	57	41.2 Å²	41.2	40%	0.399	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-9.2	175.4	66.2	0	0	0	0	113.1	D165 K192	D165-S167 PolarHBondContact O-N 3.07Å; D165-S167 VanDerWaalsContact O-N 3.13Å; D165-S167 WeakPolarHBondContact OD1-CB 3.26Å; D165-S167 PolarHBondContact OD1-N 2.97Å; D165-S167 PolarHBondContact OD1-OG 3.12Å; S167-K192 PolarHBondContact OG-NZ 3.07Å
168	L	92.1	Very high	91.4	Very high	36 Å²	36	40.3 Å²	40.3	19%	0.188	20%	0.201	C	C	.	.	S	Bend	trans	-96.2	148.8	179.1	-59	172.7	0	0	0	111.6	D165 K166 F170 V228 L372 L379	D165-L168 WeakPolarHBondContact O-CB 3.36Å; D165-L168 PolarHBondContact O-N 3.39Å; K166-L168 PolarHBondContact O-N 3.16Å; L168-F170 HydrophobicContact CB-CE1 4.11Å; L168-F170 HydrophobicContact CB-CE2 4.35Å; L168-F170 HydrophobicContact CB-CZ 3.83Å; L168-F170 HydrophobicContact CD1-CE1 4.39Å; L168-F170 HydrophobicContact CD1-CZ 4.35Å; L168-V228 HydrophobicContact CD1-CG1 3.82Å; L168-L372 HydrophobicContact CB-CD2 4.08Å; L168-L372 HydrophobicContact CD1-CD2 4.41Å; L168-L379 HydrophobicContact CD1-CD1 3.61Å
169	Y	93.8	Very high	91.9	Very high	179 Å²	179	43.2 Å²	43.2	70%	0.702	21%	0.211	S	C	*	.	P	Polyproline II helix	trans	-103.7	116.8	174.6	-64.6	-84	0	0	0	109.4	L372 E373	Y169-L372 WeakPolarHBondContact O-CA 3.3Å; Y169-E373 PolarHBondContact O-N 2.85Å
170	F	94.7	Very high	92.2	Very high	15 Å²	15	45.5 Å²	45.5	7%	0.066	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-93.3	140.8	-174.4	-58.4	-72.1	0	0	0	111.4	L168 E172 Q175 L186 P188 I371 L372	L168-F170 HydrophobicContact CB-CE1 4.11Å; L168-F170 HydrophobicContact CB-CE2 4.35Å; L168-F170 HydrophobicContact CB-CZ 3.83Å; L168-F170 HydrophobicContact CD1-CE1 4.39Å; L168-F170 HydrophobicContact CD1-CZ 4.35Å; F170-E172 PolarHBondContact O-N 3.32Å; F170-Q175 HydrophobicContact CB-CG 4.31Å; F170-L186 HydrophobicContact CD1-CD1 3.71Å; F170-L186 HydrophobicContact CD1-CD2 3.8Å; F170-L186 HydrophobicContact CD1-CG 4.39Å; F170-L186 HydrophobicContact CD2-CD2 3.63Å; F170-L186 HydrophobicContact CE1-CD1 3.7Å; F170-L186 HydrophobicContact CE1-CD2 3.59Å; F170-L186 HydrophobicContact CE1-CG 4.34Å; F170-L186 HydrophobicContact CE2-CD2 3.41Å; F170-L186 VanDerWaalsContact CE2-CD2 3.41Å; F170-L186 HydrophobicContact CG-CD1 4.35Å; F170-L186 HydrophobicContact CG-CD2 3.82Å; F170-L186 HydrophobicContact CZ-CD1 4.35Å; F170-L186 HydrophobicContact CZ-CD2 3.4Å; F170-L186 VanDerWaalsContact CZ-CD2 3.4Å; F170-P188 HydrophobicContact CD2-CG 4.12Å; F170-P188 HydrophobicContact CE2-CB 4.14Å; F170-P188 HydrophobicContact CE2-CG 3.96Å; F170-I371 WeakPolarHBondContact CA-O 3.49Å; F170-I371 HydrophobicContact CD1-CG2 4.08Å; F170-L372 HydrophobicContact CD1-CD2 4.17Å; F170-L372 HydrophobicContact CE1-CD2 4.26Å
171	N	94.6	Very high	92.2	Very high	38 Å²	38	45.3 Å²	45.3	20%	0.203	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-64	121.5	-179.5	-174.5	-62.5	0	0	0	111.5	T173 Y174 Q175 I371	N171-T173 VanDerWaalsContact C-N 3.33Å; N171-T173 PolarHBondContact O-N 2.83Å; N171-T173 WeakPolarHBondContact OD1-CA 3.39Å; N171-T173 WeakPolarHBondContact OD1-CB 3.3Å; N171-T173 PolarHBondContact OD1-N 3.35Å; N171-Y174 WeakPolarHBondContact O-CB 3.39Å; N171-Y174 PolarHBondContact O-N 3.22Å; N171-Y174 PolarHBondContact OD1-N 3.08Å; N171-Y174 VanDerWaalsContact OD1-N 3.09Å; N171-Q175 VanDerWaalsContact O-CG 3.27Å; N171-Q175 WeakPolarHBondContact O-CG 3.49Å; N171-Q175 PolarHBondContact O-N 3.24Å; N171-I371 PolarHBondContact N-O 3.37Å
172	E	93.2	Very high	91.9	Very high	113 Å²	113	45 Å²	45	53%	0.528	22%	0.223	S	C	.	.	H	α-helix	trans	-65.6	-32.2	-178.2	-80.9	-63.3	147.7	0	0	113.5	F170 Q175 N176 K185	F170-E172 PolarHBondContact O-N 3.32Å; E172-Q175 PolarHBondContact O-N 2.77Å; E172-N176 WeakPolarHBondContact O-CB 3.41Å; E172-N176 PolarHBondContact O-N 2.9Å; E172-N176 PolarHBondContact O-ND2 3.38Å; E172-N176 VanDerWaalsContact O-ND2 3.09Å; E172-K185 IonicContact OE2-NZ 2.72Å
173	T	92.3	Very high	91.5	Very high	92 Å²	92	47.9 Å²	47.9	56%	0.564	25%	0.254	S	S	*	.	H	α-helix	trans	-63.1	-45.9	174.5	-56.6	0	0	0	0	110.3	N171 Q175 N176 I177	N171-T173 VanDerWaalsContact C-N 3.33Å; N171-T173 PolarHBondContact O-N 2.83Å; N171-T173 WeakPolarHBondContact OD1-CA 3.39Å; N171-T173 WeakPolarHBondContact OD1-CB 3.3Å; N171-T173 PolarHBondContact OD1-N 3.35Å; T173-Q175 PolarHBondContact O-N 2.89Å; T173-N176 PolarHBondContact O-N 3.41Å; T173-I177 HydrophobicContact CG2-CD1 4.06Å; T173-I177 VanDerWaalsContact O-CG1 3.31Å; T173-I177 WeakPolarHBondContact O-CG1 3.38Å; T173-I177 PolarHBondContact O-N 3Å
174	Y	92.7	Very high	91	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.016	26%	0.26	C	S	.	.	H	α-helix	trans	-58.2	-47.1	173.3	173	-92.5	0	0	0	111.8	M105 L108 L162 N171 N176 I177 S178 L186 G370 I371	M105-Y174 WeakPolarHBondContact O-CE2 2.96Å; M105-Y174 PolarHBondContact O-OH 3.28Å; L108-Y174 HydrophobicContact CB-CD2 4.37Å; L108-Y174 HydrophobicContact CB-CE2 4.07Å; L108-Y174 HydrophobicContact CD2-CD2 3.63Å; L108-Y174 HydrophobicContact CD2-CE2 3.79Å; L108-Y174 HydrophobicContact CG-CD2 3.94Å; L108-Y174 HydrophobicContact CG-CE2 4.12Å; L162-Y174 WeakPolarHBondContact CD1-OH 3.44Å; N171-Y174 WeakPolarHBondContact O-CB 3.39Å; N171-Y174 PolarHBondContact O-N 3.22Å; N171-Y174 PolarHBondContact OD1-N 3.08Å; N171-Y174 VanDerWaalsContact OD1-N 3.09Å; Y174-N176 VanDerWaalsContact C-N 3.34Å; Y174-N176 PolarHBondContact O-N 3.22Å; Y174-I177 PolarHBondContact O-N 3.39Å; Y174-S178 VanDerWaalsContact O-CB 3.32Å; Y174-S178 WeakPolarHBondContact O-CB 3.32Å; Y174-S178 PolarHBondContact O-N 3.19Å; Y174-L186 HydrophobicContact CE1-CB 4.46Å; Y174-L186 HydrophobicContact CE1-CD1 4.41Å; Y174-G370 WeakPolarHBondContact CB-O 3.41Å; Y174-I371 HydrophobicContact CD1-CG2 4.27Å; Y174-I371 HydrophobicContact CD2-CG1 4.19Å; Y174-I371 HydrophobicContact CE1-CG2 4.08Å; Y174-I371 HydrophobicContact CE2-CD1 4.33Å; Y174-I371 HydrophobicContact CE2-CG1 3.91Å
175	Q	92.5	Very high	90.8	Very high	11 Å²	11	51.4 Å²	51.4	5%	0.051	27%	0.272	C	S	.	.	H	α-helix	trans	-59.5	-43.8	179.8	-68.4	-76.9	35.9	0	0	112.1	F170 N171 E172 T173 S178 E179 K185 L186	F170-Q175 HydrophobicContact CB-CG 4.31Å; N171-Q175 VanDerWaalsContact O-CG 3.27Å; N171-Q175 WeakPolarHBondContact O-CG 3.49Å; N171-Q175 PolarHBondContact O-N 3.24Å; E172-Q175 PolarHBondContact O-N 2.77Å; T173-Q175 PolarHBondContact O-N 2.89Å; Q175-S178 PolarHBondContact O-N 3.34Å; Q175-E179 WeakPolarHBondContact O-CB 3.31Å; Q175-E179 PolarHBondContact O-N 2.75Å; Q175-K185 HydrophobicContact CB-CD 4.14Å; Q175-K185 HydrophobicContact CB-CG 4.33Å; Q175-L186 PolarHBondContact NE2-O 2.85Å
176	N	91.8	Very high	90.7	Very high	73 Å²	73	51.4 Å²	51.4	39%	0.39	27%	0.272	S	S	.	.	H	α-helix	trans	-69.5	-39.4	-179.7	-67.9	-27.9	0	0	0	112.2	E172 T173 Y174 S178 T180 K185	E172-N176 WeakPolarHBondContact O-CB 3.41Å; E172-N176 PolarHBondContact O-N 2.9Å; E172-N176 PolarHBondContact O-ND2 3.38Å; E172-N176 VanDerWaalsContact O-ND2 3.09Å; T173-N176 PolarHBondContact O-N 3.41Å; Y174-N176 VanDerWaalsContact C-N 3.34Å; Y174-N176 PolarHBondContact O-N 3.22Å; N176-S178 VanDerWaalsContact C-N 3.34Å; N176-T180 WeakPolarHBondContact O-CB 3.38Å; N176-T180 PolarHBondContact O-N 3.49Å; N176-T180 PolarHBondContact O-OG1 2.88Å; N176-K185 PolarHBondContact OD1-NZ 3.17Å
177	I	90.4	Very high	90.7	Very high	10 Å²	10	48.2 Å²	48.2	5%	0.051	26%	0.259	C	S	.	.	H	α-helix	trans	-62.9	-45.1	172.4	-67	169.6	0	0	0	109.8	L34 L108 T173 Y174 E179 T180 V181	L34-I177 HydrophobicContact CD2-CB 4.43Å; L34-I177 HydrophobicContact CD2-CG1 4.06Å; L34-I177 HydrophobicContact CD2-CG2 3.98Å; L108-I177 HydrophobicContact CD1-CD1 4.31Å; L108-I177 HydrophobicContact CD1-CG2 4.11Å; L108-I177 HydrophobicContact CD2-CB 3.86Å; L108-I177 HydrophobicContact CD2-CD1 4.48Å; L108-I177 HydrophobicContact CD2-CG2 3.35Å; L108-I177 HydrophobicContact CG-CG2 4.39Å; T173-I177 HydrophobicContact CG2-CD1 4.06Å; T173-I177 VanDerWaalsContact O-CG1 3.31Å; T173-I177 WeakPolarHBondContact O-CG1 3.38Å; T173-I177 PolarHBondContact O-N 3Å; Y174-I177 PolarHBondContact O-N 3.39Å; I177-E179 PolarHBondContact O-N 3.38Å; I177-T180 PolarHBondContact O-N 3.44Å; I177-V181 HydrophobicContact CG2-CG2 4.1Å; I177-V181 WeakPolarHBondContact O-CB 3.48Å; I177-V181 WeakPolarHBondContact O-CG2 3.43Å; I177-V181 PolarHBondContact O-N 2.96Å
178	S	90.3	Very high	90.9	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-61.4	-44.8	-178.9	-165.8	0	0	0	0	112	Y174 Q175 N176 Y182 G183 A184	Y174-S178 VanDerWaalsContact O-CB 3.32Å; Y174-S178 WeakPolarHBondContact O-CB 3.32Å; Y174-S178 PolarHBondContact O-N 3.19Å; Q175-S178 PolarHBondContact O-N 3.34Å; N176-S178 VanDerWaalsContact C-N 3.34Å; S178-Y182 WeakPolarHBondContact O-CA 3.47Å; S178-Y182 WeakPolarHBondContact O-CB 3.49Å; S178-Y182 PolarHBondContact O-N 2.93Å; S178-G183 PolarHBondContact O-N 3.34Å; S178-A184 CarbonylContact C-O 3.58Å; S178-A184 PolarHBondContact OG-O 3.29Å
179	E	89.8	Confident	91.1	Very high	95 Å²	95	47.9 Å²	47.9	44%	0.444	26%	0.257	S	S	.	.	H	α-helix	trans	-62	-44.3	174.2	-174	169.3	-142.4	0	0	112.5	Q175 I177 G183 K185	Q175-E179 WeakPolarHBondContact O-CB 3.31Å; Q175-E179 PolarHBondContact O-N 2.75Å; I177-E179 PolarHBondContact O-N 3.38Å; E179-G183 WeakPolarHBondContact O-CA 3.49Å; E179-G183 PolarHBondContact O-N 3.23Å; E179-K185 HydrophobicContact CB-CG 3.83Å; E179-K185 HydrophobicContact CG-CG 4.34Å; E179-K185 WeakPolarHBondContact OE2-CE 3.48Å; E179-K185 IonicContact OE2-NZ 3.45Å
180	T	87.1	Confident	91.1	Very high	52 Å²	52	41.2 Å²	41.2	32%	0.319	23%	0.233	S	C	.	.	H	α-helix	trans	-67.4	-41.2	-177.6	-59.5	0	0	0	0	112.5	I24 L32 N176 I177	I24-T180 HydrophobicContact CD1-CG2 4.26Å; L32-T180 HydrophobicContact CD1-CG2 4.3Å; L32-T180 HydrophobicContact CD2-CG2 4.15Å; N176-T180 WeakPolarHBondContact O-CB 3.38Å; N176-T180 PolarHBondContact O-N 3.49Å; N176-T180 PolarHBondContact O-OG1 2.88Å; I177-T180 PolarHBondContact O-N 3.44Å
181	V	85.6	Confident	91.1	Very high	11 Å²	11	40.5 Å²	40.5	7%	0.067	23%	0.23	C	C	.	.	H	α-helix	trans	-90.9	-41.2	-172.5	177.3	0	0	0	0	111.9	L34 H136 A140 I177	L34-V181 HydrophobicContact CD1-CG2 4.15Å; L34-V181 HydrophobicContact CD2-CG2 4.03Å; H136-V181 HydrophobicContact CB-CG1 3.94Å; H136-V181 WeakPolarHBondContact O-CG1 3.49Å; A140-V181 HydrophobicContact CB-CG1 3.69Å; I177-V181 HydrophobicContact CG2-CG2 4.1Å; I177-V181 WeakPolarHBondContact O-CB 3.48Å; I177-V181 WeakPolarHBondContact O-CG2 3.43Å; I177-V181 PolarHBondContact O-N 2.96Å
182	Y	84.4	Confident	91	Very high	29 Å²	29	44.3 Å²	44.3	11%	0.114	25%	0.245	C	C	.	.	H	α-helix	trans	-111.5	-6.6	-170.5	-56.6	-79.8	0	0	0	113.3	T101 A104 M105 H136 S178 A184	T101-Y182 HydrophobicContact CG2-CD1 3.71Å; T101-Y182 HydrophobicContact CG2-CE1 3.67Å; T101-Y182 WeakPolarHBondContact O-CE1 3.43Å; A104-Y182 VanDerWaalsContact C-OH 3.31Å; A104-Y182 WeakPolarHBondContact CB-OH 3.41Å; A104-Y182 PolarHBondContact O-OH 3.31Å; M105-Y182 HydrophobicContact CB-CD2 4.42Å; M105-Y182 HydrophobicContact CB-CE2 4.2Å; M105-Y182 HydrophobicContact CG-CD1 3.51Å; M105-Y182 HydrophobicContact CG-CD2 3.51Å; M105-Y182 HydrophobicContact CG-CE1 3.53Å; M105-Y182 HydrophobicContact CG-CE2 3.55Å; M105-Y182 HydrophobicContact CG-CG 3.48Å; M105-Y182 VanDerWaalsContact CG-CG 3.48Å; M105-Y182 PolarHBondContact N-OH 2.91Å; M105-Y182 HydrophobicContact SD-CD1 3.89Å; M105-Y182 HydrophobicContact SD-CD2 3.93Å; M105-Y182 HydrophobicContact SD-CE1 4.5Å; M105-Y182 HydrophobicContact SD-CG 3.54Å; M105-Y182 VanDerWaalsContact SD-CG 3.54Å; H136-Y182 HydrophobicContact CB-CE2 4.26Å; H136-Y182 AromaticContact ND1-CZ 3.91Å; H136-Y182 PolarHBondContact ND1-OH 3.42Å; S178-Y182 WeakPolarHBondContact O-CA 3.47Å; S178-Y182 WeakPolarHBondContact O-CB 3.49Å; S178-Y182 PolarHBondContact O-N 2.93Å; Y182-A184 VanDerWaalsContact C-N 3.32Å; Y182-A184 PolarHBondContact O-N 3Å
183	G	84.4	Confident	91.1	Very high	64 Å²	64	44.1 Å²	44.1	66%	0.66	25%	0.251	S	S	*	.	S	Bend	trans	79.6	9.7	175.6	0	0	0	0	0	114.6	S178 E179	S178-G183 PolarHBondContact O-N 3.34Å; E179-G183 WeakPolarHBondContact O-CA 3.49Å; E179-G183 PolarHBondContact O-N 3.23Å
184	A	84.9	Confident	91.3	Very high	15 Å²	15	43.6 Å²	43.6	12%	0.124	25%	0.245	C	C	.	.			trans	-152.1	131.1	178	0	0	0	0	0	112.9	R161 S178 Y182	R161-A184 HydrophobicContact CG-CB 4.23Å; S178-A184 CarbonylContact C-O 3.58Å; S178-A184 PolarHBondContact OG-O 3.29Å; Y182-A184 VanDerWaalsContact C-N 3.32Å; Y182-A184 PolarHBondContact O-N 3Å
185	K	91.2	Very high	91.4	Very high	58 Å²	58	44.8 Å²	44.8	25%	0.252	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-68.1	152.2	162.7	-65.1	-166	175.8	-152.9	0	111.1	R161 E172 Q175 N176 E179 M187	R161-K185 VanDerWaalsContact CZ-O 3.31Å; R161-K185 PolarHBondContact NE-O 3.46Å; R161-K185 PolarHBondContact NH2-O 3.41Å; E172-K185 IonicContact OE2-NZ 2.72Å; Q175-K185 HydrophobicContact CB-CD 4.14Å; Q175-K185 HydrophobicContact CB-CG 4.33Å; N176-K185 PolarHBondContact OD1-NZ 3.17Å; E179-K185 HydrophobicContact CB-CG 3.83Å; E179-K185 HydrophobicContact CG-CG 4.34Å; E179-K185 WeakPolarHBondContact OE2-CE 3.48Å; E179-K185 IonicContact OE2-NZ 3.45Å; K185-M187 PolarHBondContact O-N 3.48Å
186	L	92.6	Very high	91.6	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.026	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-56.8	133.2	164.3	-176.8	161	0	0	0	109.3	L162 F170 Y174 Q175 L229 I371	L162-L186 HydrophobicContact CB-CB 4.25Å; L162-L186 HydrophobicContact CB-CD1 3.99Å; L162-L186 HydrophobicContact CB-CG 3.9Å; L162-L186 WeakPolarHBondContact O-CA 3.41Å; F170-L186 HydrophobicContact CD1-CD1 3.71Å; F170-L186 HydrophobicContact CD1-CD2 3.8Å; F170-L186 HydrophobicContact CD1-CG 4.39Å; F170-L186 HydrophobicContact CD2-CD2 3.63Å; F170-L186 HydrophobicContact CE1-CD1 3.7Å; F170-L186 HydrophobicContact CE1-CD2 3.59Å; F170-L186 HydrophobicContact CE1-CG 4.34Å; F170-L186 HydrophobicContact CE2-CD2 3.41Å; F170-L186 VanDerWaalsContact CE2-CD2 3.41Å; F170-L186 HydrophobicContact CG-CD1 4.35Å; F170-L186 HydrophobicContact CG-CD2 3.82Å; F170-L186 HydrophobicContact CZ-CD1 4.35Å; F170-L186 HydrophobicContact CZ-CD2 3.4Å; F170-L186 VanDerWaalsContact CZ-CD2 3.4Å; Y174-L186 HydrophobicContact CE1-CB 4.46Å; Y174-L186 HydrophobicContact CE1-CD1 4.41Å; Q175-L186 PolarHBondContact NE2-O 2.85Å; L186-L229 HydrophobicContact CD1-CD1 3.81Å; L186-I371 HydrophobicContact CD1-CG2 4Å
187	M	94.4	Very high	91.8	Very high	52 Å²	52	46 Å²	46	26%	0.256	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	117.9	-178.4	-179.1	167.5	-100.8	0	0	111.4	R161 L162 F163 G164 K185 L189	R161-M187 VanDerWaalsContact NH1-CE 3.27Å; L162-M187 PolarHBondContact O-N 3.47Å; F163-M187 WeakPolarHBondContact CA-O 3.49Å; F163-M187 HydrophobicContact CD1-CB 3.71Å; F163-M187 HydrophobicContact CD1-CG 4.1Å; F163-M187 HydrophobicContact CD1-SD 4.12Å; F163-M187 HydrophobicContact CE1-CB 3.99Å; F163-M187 HydrophobicContact CE1-CG 4.29Å; F163-M187 HydrophobicContact CE1-SD 3.75Å; G164-M187 PolarHBondContact N-O 3.28Å; G164-M187 VanDerWaalsContact N-O 3.1Å; K185-M187 PolarHBondContact O-N 3.48Å; M187-L189 HydrophobicContact CG-CD2 4.14Å; M187-L189 HydrophobicContact CG-CG 4.23Å; M187-L189 HydrophobicContact SD-CD2 4.34Å
188	P	95.6	Very high	92.1	Very high	67 Å²	67	45.7 Å²	45.7	44%	0.435	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	127.5	172.8	-16.6	30.9	0	0	0	111.2	G164 K166 F170	G164-P188 CarbonylContact O-C 3.49Å; G164-P188 VanDerWaalsContact O-CA 3.31Å; G164-P188 WeakPolarHBondContact O-CA 3.47Å; K166-P188 HydrophobicContact CB-CB 4.05Å; F170-P188 HydrophobicContact CD2-CG 4.12Å; F170-P188 HydrophobicContact CE2-CB 4.14Å; F170-P188 HydrophobicContact CE2-CG 3.96Å
189	L	96.3	Very high	92.4	Very high	19 Å²	19	46.9 Å²	46.9	10%	0.099	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	163.1	177.4	-67.4	-179.1	0	0	0	111.4	F163 G164 D165 K166 M187 F191 A198 T201 I202	F163-L189 HydrophobicContact CB-CD1 4.13Å; F163-L189 HydrophobicContact CD1-CD1 3.55Å; F163-L189 HydrophobicContact CD1-CG 4.24Å; F163-L189 HydrophobicContact CE1-CD1 4.34Å; F163-L189 HydrophobicContact CG-CD1 4.18Å; G164-L189 PolarHBondContact O-N 2.87Å; D165-L189 CarbonylContact C-O 3.59Å; D165-L189 VanDerWaalsContact CA-O 3.32Å; D165-L189 WeakPolarHBondContact CA-O 3.29Å; K166-L189 WeakPolarHBondContact CB-O 3.25Å; K166-L189 PolarHBondContact N-O 2.85Å; M187-L189 HydrophobicContact CG-CD2 4.14Å; M187-L189 HydrophobicContact CG-CG 4.23Å; M187-L189 HydrophobicContact SD-CD2 4.34Å; L189-F191 HydrophobicContact CB-CD1 4.46Å; L189-F191 HydrophobicContact CB-CE1 3.95Å; L189-F191 HydrophobicContact CB-CZ 4.06Å; L189-F191 HydrophobicContact CD1-CE1 4.2Å; L189-F191 HydrophobicContact CD1-CZ 4.34Å; L189-F191 PolarHBondContact O-N 3.38Å; L189-A198 HydrophobicContact CB-CB 4.04Å; L189-A198 HydrophobicContact CD1-CB 4.17Å; L189-T201 HydrophobicContact CD2-CG2 3.89Å; L189-I202 HydrophobicContact CD1-CD1 3.74Å; L189-I202 HydrophobicContact CD1-CG1 3.53Å
190	N	94.4	Very high	92.7	Very high	39 Å²	39	46.2 Å²	46.2	21%	0.209	27%	0.265	C	S	.	.			trans	-96.5	78.1	-175.7	-171.8	7	0	0	0	111.8	K166 T193 N194	K166-N190 HydrophobicContact CD-CB 3.84Å; K166-N190 WeakPolarHBondContact CE-OD1 3.45Å; K166-N190 HydrophobicContact CG-CB 4.43Å; K166-N190 PolarHBondContact NZ-ND2 3.36Å; N190-T193 PolarHBondContact ND2-OG1 3.27Å; N190-T193 PolarHBondContact OD1-N 2.88Å; N190-T193 PolarHBondContact OD1-OG1 3.37Å; N190-N194 CarbonylContact O-C 3.5Å; N190-N194 PolarHBondContact O-N 3.12Å; N190-N194 VanDerWaalsContact O-O 3.12Å
191	F	95.3	Very high	93.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-42.6	-179.3	-60.4	-45.2	0	0	0	111.7	F163 D165 L189 T193 P195 A198 I202 L223 T227	F163-F191 HydrophobicContact CB-CZ 3.97Å; D165-F191 HydrophobicContact CB-CD2 3.94Å; D165-F191 PolarHBondContact OD2-N 3.23Å; D165-F191 VanDerWaalsContact OD2-N 3.09Å; L189-F191 HydrophobicContact CB-CD1 4.46Å; L189-F191 HydrophobicContact CB-CE1 3.95Å; L189-F191 HydrophobicContact CB-CZ 4.06Å; L189-F191 HydrophobicContact CD1-CE1 4.2Å; L189-F191 HydrophobicContact CD1-CZ 4.34Å; L189-F191 PolarHBondContact O-N 3.38Å; F191-T193 PolarHBondContact O-N 2.99Å; F191-P195 VanDerWaalsContact O-CD 3.27Å; F191-P195 WeakPolarHBondContact O-CD 3.38Å; F191-A198 HydrophobicContact CD1-CB 3.56Å; F191-A198 HydrophobicContact CE1-CB 3.62Å; F191-I202 HydrophobicContact CE1-CD1 4.21Å; F191-I202 HydrophobicContact CZ-CD1 4.44Å; F191-L223 HydrophobicContact CD1-CD1 4.18Å; F191-L223 HydrophobicContact CE1-CD1 3.8Å; F191-T227 HydrophobicContact CB-CG2 4.44Å; F191-T227 VanDerWaalsContact CB-O 3.31Å; F191-T227 WeakPolarHBondContact CB-O 3.29Å; F191-T227 HydrophobicContact CD1-CG2 4.27Å; F191-T227 HydrophobicContact CD2-CG2 3.75Å; F191-T227 WeakPolarHBondContact CD2-O 3.32Å; F191-T227 HydrophobicContact CE1-CG2 4.49Å; F191-T227 HydrophobicContact CE2-CG2 3.98Å; F191-T227 HydrophobicContact CG-CG2 3.92Å; F191-T227 HydrophobicContact CZ-CG2 4.35Å
192	K	92.9	Very high	93.6	Very high	118 Å²	118	46.1 Å²	46.1	51%	0.513	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-41	-174.6	-73.1	178	177.6	170.9	0	114.9	D165 S167 S225	D165-K192 PolarHBondContact OD2-N 2.74Å; S167-K192 PolarHBondContact OG-NZ 3.07Å; K192-S225 WeakPolarHBondContact O-CB 3.45Å
193	T	95.2	Very high	94	Very high	109 Å²	109	45 Å²	45	67%	0.669	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	-16.7	-174.2	61	0	0	0	0	114.1	N190 F191	N190-T193 PolarHBondContact ND2-OG1 3.27Å; N190-T193 PolarHBondContact OD1-N 2.88Å; N190-T193 PolarHBondContact OD1-OG1 3.37Å; F191-T193 PolarHBondContact O-N 2.99Å
194	N	95.1	Very high	94.5	Very high	81 Å²	81	46.7 Å²	46.7	43%	0.433	26%	0.255	S	S	.	.			trans	-150.5	63.6	-179	-156.4	-8.9	0	0	0	113	N190 E196 A197 A198	N190-N194 CarbonylContact O-C 3.5Å; N190-N194 PolarHBondContact O-N 3.12Å; N190-N194 VanDerWaalsContact O-O 3.12Å; N194-E196 VanDerWaalsContact C-N 3.34Å; N194-E196 PolarHBondContact O-N 3.37Å; N194-A197 HydrophobicContact CB-CB 4.27Å; N194-A197 VanDerWaalsContact CG-CB 3.42Å; N194-A197 WeakPolarHBondContact ND2-CB 3.44Å; N194-A197 PolarHBondContact O-N 3.17Å; N194-A197 WeakPolarHBondContact OD1-CB 3.5Å; N194-A198 PolarHBondContact O-N 2.83Å
195	P	95.5	Very high	94.9	Very high	30 Å²	30	47.8 Å²	47.8	20%	0.195	26%	0.256	C	S	.	.	H	α-helix	trans	-64.3	-34.9	-173.8	25.2	-32.4	0	0	0	113.1	F191 A198 R199 L223	F191-P195 VanDerWaalsContact O-CD 3.27Å; F191-P195 WeakPolarHBondContact O-CD 3.38Å; P195-A198 WeakPolarHBondContact O-CB 3.47Å; P195-A198 PolarHBondContact O-N 3.19Å; P195-R199 PolarHBondContact O-N 3.1Å; P195-L223 HydrophobicContact CB-CB 4.2Å
196	E	96.2	Very high	94.8	Very high	71 Å²	71	45 Å²	45	33%	0.332	24%	0.244	S	C	.	.	H	α-helix	trans	-66.7	-40.2	177.2	-78.5	-60.1	140	0	0	112.6	N194 A198 R199 I200 G221	N194-E196 VanDerWaalsContact C-N 3.34Å; N194-E196 PolarHBondContact O-N 3.37Å; E196-A198 VanDerWaalsContact C-N 3.28Å; E196-A198 PolarHBondContact O-N 3.33Å; E196-R199 WeakPolarHBondContact O-CB 3.28Å; E196-R199 PolarHBondContact O-N 2.9Å; E196-R199 IonicContact OE1-NE 2.84Å; E196-R199 IonicContact OE2-CZ 3.14Å; E196-R199 IonicContact OE2-NE 2.61Å; E196-R199 PolarHBondContact OE2-NE 2.98Å; E196-R199 IonicContact OE2-NH2 3.22Å; E196-R199 PolarHBondContact OE2-NH2 2.87Å; E196-R199 VanDerWaalsContact OE2-NH2 3.09Å; E196-I200 WeakPolarHBondContact O-CG1 3.5Å; E196-I200 PolarHBondContact O-N 3.21Å; E196-G221 PolarHBondContact OE1-N 3.42Å
197	A	96.6	Very high	94.7	Very high	39 Å²	39	45.5 Å²	45.5	32%	0.322	25%	0.247	S	C	.	.	H	α-helix	trans	-64.7	-35.7	173.9	0	0	0	0	0	111.8	N194 T201	N194-A197 HydrophobicContact CB-CB 4.27Å; N194-A197 VanDerWaalsContact CG-CB 3.42Å; N194-A197 WeakPolarHBondContact ND2-CB 3.44Å; N194-A197 PolarHBondContact O-N 3.17Å; N194-A197 WeakPolarHBondContact OD1-CB 3.5Å; A197-T201 WeakPolarHBondContact O-CB 3.36Å; A197-T201 PolarHBondContact O-N 3.05Å; A197-T201 PolarHBondContact O-OG1 2.92Å
198	A	96.6	Very high	94.5	Very high	3 Å²	3	49.1 Å²	49.1	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-65.7	-41.5	173.8	0	0	0	0	0	111.6	L189 F191 N194 P195 E196 T201 I202 L223	L189-A198 HydrophobicContact CB-CB 4.04Å; L189-A198 HydrophobicContact CD1-CB 4.17Å; F191-A198 HydrophobicContact CD1-CB 3.56Å; F191-A198 HydrophobicContact CE1-CB 3.62Å; N194-A198 PolarHBondContact O-N 2.83Å; P195-A198 WeakPolarHBondContact O-CB 3.47Å; P195-A198 PolarHBondContact O-N 3.19Å; E196-A198 VanDerWaalsContact C-N 3.28Å; E196-A198 PolarHBondContact O-N 3.33Å; A198-T201 WeakPolarHBondContact O-CB 3.44Å; A198-T201 PolarHBondContact O-N 2.9Å; A198-I202 WeakPolarHBondContact O-CG1 3.43Å; A198-I202 PolarHBondContact O-N 3.27Å; A198-L223 HydrophobicContact CB-CD1 4.45Å
199	R	96.4	Very high	94	Very high	27 Å²	27	51.3 Å²	51.3	10%	0.102	27%	0.27	C	S	.	.	H	α-helix	trans	-59	-48.1	175.2	-171.1	-169.9	62.8	78.7	3.6	111.9	P195 E196 T201 I202 N203 L218 P219 L223	P195-R199 PolarHBondContact O-N 3.1Å; E196-R199 WeakPolarHBondContact O-CB 3.28Å; E196-R199 PolarHBondContact O-N 2.9Å; E196-R199 IonicContact OE1-NE 2.84Å; E196-R199 IonicContact OE2-CZ 3.14Å; E196-R199 IonicContact OE2-NE 2.61Å; E196-R199 PolarHBondContact OE2-NE 2.98Å; E196-R199 IonicContact OE2-NH2 3.22Å; E196-R199 PolarHBondContact OE2-NH2 2.87Å; E196-R199 VanDerWaalsContact OE2-NH2 3.09Å; R199-T201 VanDerWaalsContact C-N 3.34Å; R199-T201 PolarHBondContact O-N 2.85Å; R199-I202 PolarHBondContact O-N 2.96Å; R199-N203 PolarHBondContact NH1-ND2 2.82Å; R199-N203 PolarHBondContact O-N 3.19Å; R199-L218 HydrophobicContact CG-CB 3.78Å; R199-L218 HydrophobicContact CG-CD2 4.42Å; R199-L218 PolarHBondContact NH1-O 2.77Å; R199-P219 WeakPolarHBondContact CD-O 3.28Å; R199-L223 HydrophobicContact CB-CD1 3.8Å; R199-L223 HydrophobicContact CB-CG 4.29Å; R199-L223 HydrophobicContact CG-CD1 4.39Å
200	I	96	Very high	93.3	Very high	81 Å²	81	50.4 Å²	50.4	42%	0.415	27%	0.266	S	S	.	.	H	α-helix	trans	-60	-46.7	176.6	-66.5	166.6	0	0	0	110.1	E196 I202 N203 D204	E196-I200 WeakPolarHBondContact O-CG1 3.5Å; E196-I200 PolarHBondContact O-N 3.21Å; I200-I202 VanDerWaalsContact C-N 3.29Å; I200-I202 PolarHBondContact O-N 2.73Å; I200-N203 PolarHBondContact O-N 2.79Å; I200-N203 VanDerWaalsContact O-N 3.17Å; I200-D204 WeakPolarHBondContact O-CB 3.39Å; I200-D204 PolarHBondContact O-N 2.9Å
201	T	96.3	Very high	92.8	Very high	61 Å²	61	54 Å²	54	37%	0.374	28%	0.281	S	S	.	.	H	α-helix	trans	-57.3	-41.5	177.9	-56.9	0	0	0	0	112.3	L189 A197 A198 R199 W205	L189-T201 HydrophobicContact CD2-CG2 3.89Å; A197-T201 WeakPolarHBondContact O-CB 3.36Å; A197-T201 PolarHBondContact O-N 3.05Å; A197-T201 PolarHBondContact O-OG1 2.92Å; A198-T201 WeakPolarHBondContact O-CB 3.44Å; A198-T201 PolarHBondContact O-N 2.9Å; R199-T201 VanDerWaalsContact C-N 3.34Å; R199-T201 PolarHBondContact O-N 2.85Å; T201-W205 WeakPolarHBondContact O-CB 3.44Å; T201-W205 PolarHBondContact O-N 2.77Å
202	I	94.9	Very high	92.4	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.1	-49.2	176.9	-70.2	164.9	0	0	0	110.4	F163 L189 F191 A198 R199 I200 D204 W205 I206 L218 L223 V232	F163-I202 HydrophobicContact CB-CD1 4.12Å; F163-I202 HydrophobicContact CB-CG1 4.49Å; F163-I202 HydrophobicContact CD1-CD1 4.26Å; F163-I202 HydrophobicContact CD1-CG1 3.7Å; F163-I202 HydrophobicContact CD2-CD1 4.22Å; F163-I202 HydrophobicContact CD2-CG1 4.09Å; F163-I202 HydrophobicContact CD2-CG2 4.5Å; F163-I202 HydrophobicContact CE1-CG1 3.8Å; F163-I202 HydrophobicContact CE2-CG1 4.18Å; F163-I202 HydrophobicContact CE2-CG2 4.07Å; F163-I202 HydrophobicContact CG-CD1 3.95Å; F163-I202 HydrophobicContact CG-CG1 3.84Å; F163-I202 HydrophobicContact CZ-CB 4.49Å; F163-I202 HydrophobicContact CZ-CG1 4.03Å; F163-I202 HydrophobicContact CZ-CG2 4.21Å; L189-I202 HydrophobicContact CD1-CD1 3.74Å; L189-I202 HydrophobicContact CD1-CG1 3.53Å; F191-I202 HydrophobicContact CE1-CD1 4.21Å; F191-I202 HydrophobicContact CZ-CD1 4.44Å; A198-I202 WeakPolarHBondContact O-CG1 3.43Å; A198-I202 PolarHBondContact O-N 3.27Å; R199-I202 PolarHBondContact O-N 2.96Å; I200-I202 VanDerWaalsContact C-N 3.29Å; I200-I202 PolarHBondContact O-N 2.73Å; I202-D204 PolarHBondContact O-N 3.1Å; I202-W205 PolarHBondContact O-N 3.37Å; I202-I206 HydrophobicContact CG2-CD1 3.91Å; I202-I206 VanDerWaalsContact O-CG1 3.29Å; I202-I206 WeakPolarHBondContact O-CG1 3.42Å; I202-I206 PolarHBondContact O-N 3.16Å; I202-L218 HydrophobicContact CB-CD2 4.41Å; I202-L218 HydrophobicContact CD1-CD2 3.98Å; I202-L218 HydrophobicContact CG2-CD1 3.66Å; I202-L218 HydrophobicContact CG2-CD2 3.99Å; I202-L218 HydrophobicContact CG2-CG 4.45Å; I202-L223 HydrophobicContact CD1-CD1 3.82Å; I202-V232 HydrophobicContact CG2-CG2 3.93Å
203	N	94.3	Very high	91.9	Very high	6 Å²	6	56.1 Å²	56.1	3%	0.032	29%	0.294	C	S	.	.	H	α-helix	trans	-62.4	-41.7	179.7	-76.9	-17	0	0	0	112.2	R199 I200 W205 I206 S207 T217 L218	R199-N203 PolarHBondContact NH1-ND2 2.82Å; R199-N203 PolarHBondContact O-N 3.19Å; I200-N203 PolarHBondContact O-N 2.79Å; I200-N203 VanDerWaalsContact O-N 3.17Å; N203-W205 VanDerWaalsContact C-N 3.35Å; N203-W205 PolarHBondContact O-N 2.89Å; N203-I206 PolarHBondContact O-N 3.48Å; N203-S207 WeakPolarHBondContact O-CB 3.46Å; N203-S207 PolarHBondContact O-N 2.96Å; N203-T217 PolarHBondContact OD1-N 3.03Å; N203-T217 VanDerWaalsContact OD1-N 3.1Å; N203-L218 PolarHBondContact ND2-O 3.33Å; N203-L218 VanDerWaalsContact ND2-O 3.09Å; N203-L218 PolarHBondContact OD1-N 3.37Å
204	D	94.2	Very high	91.3	Very high	100 Å²	100	51 Å²	51	54%	0.535	26%	0.262	S	S	.	.	H	α-helix	trans	-63.8	-40.5	176.4	-72.9	-15.3	0	0	0	111.8	I200 I202 S207 N208	I200-D204 WeakPolarHBondContact O-CB 3.39Å; I200-D204 PolarHBondContact O-N 2.9Å; I202-D204 PolarHBondContact O-N 3.1Å; D204-S207 PolarHBondContact O-N 2.72Å; D204-N208 WeakPolarHBondContact O-CB 3.29Å; D204-N208 PolarHBondContact O-N 2.71Å
205	W	92	Very high	90.9	Very high	38 Å²	38	51.9 Å²	51.9	14%	0.144	26%	0.264	C	S	.	.	H	α-helix	trans	-61.8	-43.9	175.8	179	86.1	0	0	0	111.4	A159 R161 F163 T201 I202 N203 K209	A159-W205 HydrophobicContact CB-CH2 3.85Å; A159-W205 HydrophobicContact CB-CZ3 3.86Å; R161-W205 HydrophobicContact CB-CH2 3.56Å; R161-W205 HydrophobicContact CB-CZ2 4.09Å; R161-W205 HydrophobicContact CB-CZ3 3.86Å; R161-W205 HydrophobicContact CG-CH2 4.38Å; R161-W205 HydrophobicContact CG-CZ2 4.44Å; F163-W205 HydrophobicContact CZ-CD2 4.19Å; F163-W205 AromaticContact CZ-CE3 3.85Å; F163-W205 HydrophobicContact CZ-CE3 3.85Å; F163-W205 HydrophobicContact CZ-CZ3 4.31Å; T201-W205 WeakPolarHBondContact O-CB 3.44Å; T201-W205 PolarHBondContact O-N 2.77Å; I202-W205 PolarHBondContact O-N 3.37Å; N203-W205 VanDerWaalsContact C-N 3.35Å; N203-W205 PolarHBondContact O-N 2.89Å; W205-K209 HydrophobicContact CD2-CG 4.13Å; W205-K209 HydrophobicContact CH2-CG 4.31Å; W205-K209 HydrophobicContact CZ2-CD 4.43Å; W205-K209 HydrophobicContact CZ2-CG 3.86Å; W205-K209 WeakPolarHBondContact O-CB 3.39Å; W205-K209 VanDerWaalsContact O-CG 3.26Å; W205-K209 WeakPolarHBondContact O-CG 3.43Å; W205-K209 PolarHBondContact O-N 3.19Å
206	I	90.4	Very high	90.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.4	-47.9	176.9	-64.2	163.5	0	0	0	110.6	I202 N203 N208 K209 T210 I214 T217 L218 V232 T234	I202-I206 HydrophobicContact CG2-CD1 3.91Å; I202-I206 VanDerWaalsContact O-CG1 3.29Å; I202-I206 WeakPolarHBondContact O-CG1 3.42Å; I202-I206 PolarHBondContact O-N 3.16Å; N203-I206 PolarHBondContact O-N 3.48Å; I206-N208 VanDerWaalsContact C-N 3.33Å; I206-N208 PolarHBondContact O-N 3.41Å; I206-K209 PolarHBondContact O-N 3.35Å; I206-T210 HydrophobicContact CG2-CG2 4.27Å; I206-T210 WeakPolarHBondContact O-CB 3.36Å; I206-T210 WeakPolarHBondContact O-CG2 3.38Å; I206-T210 PolarHBondContact O-N 2.65Å; I206-T210 PolarHBondContact O-OG1 3.26Å; I206-I214 HydrophobicContact CG2-CB 4.13Å; I206-I214 HydrophobicContact CG2-CG2 3.9Å; I206-T217 HydrophobicContact CD1-CG2 3.92Å; I206-T217 WeakPolarHBondContact CD1-OG1 3.36Å; I206-L218 HydrophobicContact CD1-CD1 4.46Å; I206-V232 HydrophobicContact CD1-CG1 3.49Å; I206-V232 VanDerWaalsContact CD1-CG1 3.49Å; I206-V232 HydrophobicContact CG1-CG1 4.34Å; I206-T234 HydrophobicContact CD1-CG2 4.18Å; I206-T234 HydrophobicContact CG1-CG2 4.44Å; I206-T234 HydrophobicContact CG2-CG2 3.77Å
207	S	90.6	Very high	90.1	Very high	15 Å²	15	52.3 Å²	52.3	11%	0.105	27%	0.267	C	S	.	.	H	α-helix	trans	-56.7	-49.4	179.1	-171.9	0	0	0	0	110.4	N203 D204 K209 T210 E211 N212 I214	N203-S207 WeakPolarHBondContact O-CB 3.46Å; N203-S207 PolarHBondContact O-N 2.96Å; D204-S207 PolarHBondContact O-N 2.72Å; S207-K209 PolarHBondContact O-N 2.97Å; S207-T210 CarbonylContact O-C 3.54Å; S207-T210 PolarHBondContact O-N 3.25Å; S207-T210 PolarHBondContact O-OG1 3.1Å; S207-E211 PolarHBondContact O-N 2.83Å; S207-E211 VanDerWaalsContact O-N 3.15Å; S207-N212 WeakPolarHBondContact O-CA 3.44Å; S207-N212 PolarHBondContact O-N 2.82Å; S207-N212 WeakPolarHBondContact OG-CA 3.43Å; S207-N212 PolarHBondContact OG-OD1 2.94Å; S207-I214 VanDerWaalsContact CA-O 3.29Å; S207-I214 WeakPolarHBondContact CA-O 3.27Å
208	N	90.1	Very high	89.8	Confident	127 Å²	127	50.4 Å²	50.4	68%	0.679	25%	0.251	S	S	*	.	H	α-helix	trans	-60.4	-45.6	177.7	-171.5	-10.4	0	0	0	112	D204 I206 T210 E211	D204-N208 WeakPolarHBondContact O-CB 3.29Å; D204-N208 PolarHBondContact O-N 2.71Å; I206-N208 VanDerWaalsContact C-N 3.33Å; I206-N208 PolarHBondContact O-N 3.41Å; N208-T210 VanDerWaalsContact C-N 3.25Å; N208-T210 PolarHBondContact O-N 3Å; N208-E211 PolarHBondContact O-N 3.36Å
209	K	85.4	Confident	89.6	Confident	114 Å²	114	53.9 Å²	53.9	50%	0.496	27%	0.273	S	S	.	.	H	α-helix	trans	-67.1	-24.5	179.7	-72.5	-67.3	-178.2	-179.8	0	114.1	V157 A159 W205 I206 S207	V157-K209 VanDerWaalsContact CG1-O 3.32Å; V157-K209 WeakPolarHBondContact CG1-O 3.36Å; A159-K209 HydrophobicContact CB-CB 3.76Å; A159-K209 HydrophobicContact CB-CG 4.43Å; W205-K209 HydrophobicContact CD2-CG 4.13Å; W205-K209 HydrophobicContact CH2-CG 4.31Å; W205-K209 HydrophobicContact CZ2-CD 4.43Å; W205-K209 HydrophobicContact CZ2-CG 3.86Å; W205-K209 WeakPolarHBondContact O-CB 3.39Å; W205-K209 VanDerWaalsContact O-CG 3.26Å; W205-K209 WeakPolarHBondContact O-CG 3.43Å; W205-K209 PolarHBondContact O-N 3.19Å; I206-K209 PolarHBondContact O-N 3.35Å; S207-K209 PolarHBondContact O-N 2.97Å
210	T	81.5	Confident	89.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	12	179.5	61.6	0	0	0	0	113	I206 S207 N208 N212 R213 I214	I206-T210 HydrophobicContact CG2-CG2 4.27Å; I206-T210 WeakPolarHBondContact O-CB 3.36Å; I206-T210 WeakPolarHBondContact O-CG2 3.38Å; I206-T210 PolarHBondContact O-N 2.65Å; I206-T210 PolarHBondContact O-OG1 3.26Å; S207-T210 CarbonylContact O-C 3.54Å; S207-T210 PolarHBondContact O-N 3.25Å; S207-T210 PolarHBondContact O-OG1 3.1Å; N208-T210 VanDerWaalsContact C-N 3.25Å; N208-T210 PolarHBondContact O-N 3Å; T210-N212 VanDerWaalsContact C-N 3.26Å; T210-N212 PolarHBondContact O-N 3.22Å; T210-R213 WeakPolarHBondContact O-CB 3.4Å; T210-R213 WeakPolarHBondContact O-CG 3.31Å; T210-R213 PolarHBondContact O-N 2.97Å; T210-R213 PolarHBondContact O-NH1 3.45Å; T210-I214 HydrophobicContact CG2-CB 4.07Å; T210-I214 HydrophobicContact CG2-CD1 4.1Å; T210-I214 HydrophobicContact CG2-CG1 4.17Å; T210-I214 PolarHBondContact OG1-N 2.81Å; T210-I214 VanDerWaalsContact OG1-N 3.12Å; T210-I214 PolarHBondContact OG1-O 2.68Å
211	E	84.1	Confident	89.1	Confident	115 Å²	115	56.1 Å²	56.1	54%	0.537	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	42.5	-175.5	-48.4	172.3	173.4	0	0	112.4	S207 N208 R213	S207-E211 PolarHBondContact O-N 2.83Å; S207-E211 VanDerWaalsContact O-N 3.15Å; N208-E211 PolarHBondContact O-N 3.36Å; E211-R213 VanDerWaalsContact C-N 3.27Å; E211-R213 PolarHBondContact O-N 3.49Å; E211-R213 IonicContact OE2-CZ 2.9Å; E211-R213 IonicContact OE2-NH1 2.61Å; E211-R213 PolarHBondContact OE2-NH1 3.07Å; E211-R213 IonicContact OE2-NH2 2.68Å; E211-R213 PolarHBondContact OE2-NH2 2.85Å; E211-R213 VanDerWaalsContact OE2-NH2 3.07Å
212	N	85.9	Confident	88.8	Confident	103 Å²	103	54.3 Å²	54.3	55%	0.551	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	17.4	-179.6	-51.6	-53.5	0	0	0	115.8	S207 T210 Q215	S207-N212 WeakPolarHBondContact O-CA 3.44Å; S207-N212 PolarHBondContact O-N 2.82Å; S207-N212 WeakPolarHBondContact OG-CA 3.43Å; S207-N212 PolarHBondContact OG-OD1 2.94Å; T210-N212 VanDerWaalsContact C-N 3.26Å; T210-N212 PolarHBondContact O-N 3.22Å; N212-Q215 PolarHBondContact O-NE2 3.42Å
213	R	82.5	Confident	88.8	Confident	58 Å²	58	54.6 Å²	54.6	22%	0.219	30%	0.302	C	S	.	.	S	Bend	trans	-81.2	-33.6	177.2	-63.6	-171.2	-176.8	78.9	7.5	113.5	T210 E211 Y236 E398	T210-R213 WeakPolarHBondContact O-CB 3.4Å; T210-R213 WeakPolarHBondContact O-CG 3.31Å; T210-R213 PolarHBondContact O-N 2.97Å; T210-R213 PolarHBondContact O-NH1 3.45Å; E211-R213 VanDerWaalsContact C-N 3.27Å; E211-R213 PolarHBondContact O-N 3.49Å; E211-R213 IonicContact OE2-CZ 2.9Å; E211-R213 IonicContact OE2-NH1 2.61Å; E211-R213 PolarHBondContact OE2-NH1 3.07Å; E211-R213 IonicContact OE2-NH2 2.68Å; E211-R213 PolarHBondContact OE2-NH2 2.85Å; E211-R213 VanDerWaalsContact OE2-NH2 3.07Å; R213-Y236 HydrophobicContact CB-CD2 4.25Å; R213-Y236 HydrophobicContact CB-CE2 4.48Å; R213-Y236 HydrophobicContact CG-CE2 4.5Å; R213-Y236 PolarHBondContact NE-OH 2.77Å; R213-E398 IonicContact CZ-OE1 3.78Å; R213-E398 IonicContact NE-OE1 3.07Å; R213-E398 PolarHBondContact NE-OE1 3.18Å; R213-E398 IonicContact NE-OE2 3.07Å; R213-E398 IonicContact NH2-OE1 3.36Å
214	I	82.1	Confident	88.7	Confident	1 Å²	1	58 Å²	58	1%	0.005	32%	0.32	C	S	.	.	S	Bend	trans	-113.6	112.4	176.7	-57.3	-176.9	0	0	0	107.9	I206 S207 T210 T234 K387 F389	I206-I214 HydrophobicContact CG2-CB 4.13Å; I206-I214 HydrophobicContact CG2-CG2 3.9Å; S207-I214 VanDerWaalsContact CA-O 3.29Å; S207-I214 WeakPolarHBondContact CA-O 3.27Å; T210-I214 HydrophobicContact CG2-CB 4.07Å; T210-I214 HydrophobicContact CG2-CD1 4.1Å; T210-I214 HydrophobicContact CG2-CG1 4.17Å; T210-I214 PolarHBondContact OG1-N 2.81Å; T210-I214 VanDerWaalsContact OG1-N 3.12Å; T210-I214 PolarHBondContact OG1-O 2.68Å; I214-T234 HydrophobicContact CG2-CG2 4.27Å; I214-K387 HydrophobicContact CG2-CB 4.38Å; I214-K387 HydrophobicContact CG2-CD 3.62Å; I214-K387 HydrophobicContact CG2-CG 3.85Å; I214-F389 HydrophobicContact CG1-CB 4.47Å
215	Q	87.3	Confident	88.7	Confident	100 Å²	100	56.3 Å²	56.3	47%	0.467	32%	0.316	S	S	.	.			trans	-119.9	160	178.4	-59.9	179.2	24	0	0	109	N212 T217 K387	N212-Q215 PolarHBondContact O-NE2 3.42Å; Q215-T217 VanDerWaalsContact C-N 3.33Å; Q215-T217 PolarHBondContact O-N 3.23Å; Q215-K387 PolarHBondContact O-NZ 2.96Å
216	D	86.5	Confident	88.7	Confident	110 Å²	110	60.1 Å²	60.1	59%	0.588	34%	0.34	S	S	*	.			trans	49.5	49.6	172.9	-60.1	-48	0	0	0	114.2
217	T	87.5	Confident	88.9	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.342	C	S	.	.			trans	-66.3	-42	176.8	-57.5	0	0	0	0	111.8	N203 I206 Q215 V232 T234 S345 K387	N203-T217 PolarHBondContact OD1-N 3.03Å; N203-T217 VanDerWaalsContact OD1-N 3.1Å; I206-T217 HydrophobicContact CD1-CG2 3.92Å; I206-T217 WeakPolarHBondContact CD1-OG1 3.36Å; Q215-T217 VanDerWaalsContact C-N 3.33Å; Q215-T217 PolarHBondContact O-N 3.23Å; T217-V232 HydrophobicContact CG2-CG1 4Å; T217-T234 HydrophobicContact CG2-CG2 3.76Å; T217-S345 PolarHBondContact O-OG 3.42Å; T217-K387 HydrophobicContact CG2-CB 3.73Å; T217-K387 HydrophobicContact CG2-CD 4.27Å
218	L	91.9	Very high	89	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.345	C	S	.	.	S	Bend	trans	-95.4	118.1	176.4	-79.6	67.7	0	0	0	109.3	R199 I202 N203 I206 A222 L223 V232 Y385	R199-L218 HydrophobicContact CG-CB 3.78Å; R199-L218 HydrophobicContact CG-CD2 4.42Å; R199-L218 PolarHBondContact NH1-O 2.77Å; I202-L218 HydrophobicContact CB-CD2 4.41Å; I202-L218 HydrophobicContact CD1-CD2 3.98Å; I202-L218 HydrophobicContact CG2-CD1 3.66Å; I202-L218 HydrophobicContact CG2-CD2 3.99Å; I202-L218 HydrophobicContact CG2-CG 4.45Å; N203-L218 PolarHBondContact ND2-O 3.33Å; N203-L218 VanDerWaalsContact ND2-O 3.09Å; N203-L218 PolarHBondContact OD1-N 3.37Å; I206-L218 HydrophobicContact CD1-CD1 4.46Å; L218-A222 HydrophobicContact CB-CB 4.23Å; L218-L223 HydrophobicContact CD2-CD1 3.84Å; L218-L223 HydrophobicContact CD2-CD2 3.74Å; L218-L223 HydrophobicContact CD2-CG 3.87Å; L218-V232 HydrophobicContact CD1-CG1 4.11Å; L218-V232 HydrophobicContact CD1-CG2 3.94Å; L218-Y385 HydrophobicContact CD1-CD2 4.27Å; L218-Y385 HydrophobicContact CD1-CG 4.38Å; L218-Y385 HydrophobicContact CD2-CD2 4.38Å; L218-Y385 HydrophobicContact CD2-CE2 4.42Å; L218-Y385 HydrophobicContact CG-CD2 3.99Å; L218-Y385 HydrophobicContact CG-CE2 4.24Å; L218-Y385 HydrophobicContact CG-CG 4.31Å
219	P	90.8	Very high	89.2	Confident	76 Å²	76	55 Å²	55	49%	0.494	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-67.9	159.1	176.1	27.2	-31.9	0	0	0	111.3	R199 G221 A222	R199-P219 WeakPolarHBondContact CD-O 3.28Å; P219-G221 PolarHBondContact O-N 3.41Å; P219-A222 HydrophobicContact CG-CB 4.04Å; P219-A222 WeakPolarHBondContact O-CB 3.43Å; P219-A222 PolarHBondContact O-N 3.34Å
220	S	91.8	Very high	89.7	Confident	96 Å²	96	49.7 Å²	49.7	67%	0.671	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	136.8	174.7	-59.7	0	0	0	0	110.3	A222	S220-A222 VanDerWaalsContact C-N 3.27Å; S220-A222 PolarHBondContact O-N 2.66Å
221	G	90.8	Very high	90.3	Very high	59 Å²	59	49.8 Å²	49.8	61%	0.608	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	3.1	-174.1	0	0	0	0	0	115.6	E196 P219 L223	E196-G221 PolarHBondContact OE1-N 3.42Å; P219-G221 PolarHBondContact O-N 3.41Å; G221-L223 PolarHBondContact O-N 3.24Å
222	A	90.6	Very high	90.7	Very high	22 Å²	22	44.3 Å²	44.3	18%	0.182	26%	0.264	C	S	.	.	S	Bend	trans	-64.6	-28.2	173.1	0	0	0	0	0	113.2	L218 P219 S220 Y385	L218-A222 HydrophobicContact CB-CB 4.23Å; P219-A222 HydrophobicContact CG-CB 4.04Å; P219-A222 WeakPolarHBondContact O-CB 3.43Å; P219-A222 PolarHBondContact O-N 3.34Å; S220-A222 VanDerWaalsContact C-N 3.27Å; S220-A222 PolarHBondContact O-N 2.66Å; A222-Y385 HydrophobicContact CB-CE1 4.45Å; A222-Y385 PolarHBondContact O-OH 2.88Å
223	L	93.8	Very high	90.9	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.031	24%	0.239	C	C	.	.			trans	-116.4	140.9	-179.9	-52.1	-174.9	0	0	0	109.6	F191 P195 A198 R199 I202 L218 G221 T227 V230	F191-L223 HydrophobicContact CD1-CD1 4.18Å; F191-L223 HydrophobicContact CE1-CD1 3.8Å; P195-L223 HydrophobicContact CB-CB 4.2Å; A198-L223 HydrophobicContact CB-CD1 4.45Å; R199-L223 HydrophobicContact CB-CD1 3.8Å; R199-L223 HydrophobicContact CB-CG 4.29Å; R199-L223 HydrophobicContact CG-CD1 4.39Å; I202-L223 HydrophobicContact CD1-CD1 3.82Å; L218-L223 HydrophobicContact CD2-CD1 3.84Å; L218-L223 HydrophobicContact CD2-CD2 3.74Å; L218-L223 HydrophobicContact CD2-CG 3.87Å; G221-L223 PolarHBondContact O-N 3.24Å; L223-T227 HydrophobicContact CD2-CG2 4.18Å; L223-V230 HydrophobicContact CD2-CG2 3.8Å
224	D	92.8	Very high	91.1	Very high	77 Å²	77	36.7 Å²	36.7	41%	0.412	23%	0.228	S	C	.	.			trans	-135.4	-179.9	178.1	69	14.1	0	0	0	111.7	N226 T227	D224-N226 PolarHBondContact O-N 3.24Å; D224-N226 WeakPolarHBondContact OD1-CA 3.36Å; D224-N226 WeakPolarHBondContact OD1-CB 3.36Å; D224-N226 PolarHBondContact OD1-N 2.89Å; D224-T227 PolarHBondContact N-OG1 2.82Å; D224-T227 VanDerWaalsContact O-CB 3.28Å; D224-T227 WeakPolarHBondContact O-CB 3.49Å; D224-T227 PolarHBondContact O-N 3.43Å; D224-T227 PolarHBondContact O-OG1 3.05Å; D224-T227 PolarHBondContact OD1-N 3.42Å; D224-T227 PolarHBondContact OD1-OG1 2.82Å
225	S	93.5	Very high	91.3	Very high	65 Å²	65	36.8 Å²	36.8	46%	0.455	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-13.5	179.4	57.3	0	0	0	0	114.2	K192	K192-S225 WeakPolarHBondContact O-CB 3.45Å
226	N	92.5	Very high	91.1	Very high	118 Å²	118	32 Å²	32	63%	0.631	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-5.1	178.5	-59.7	-33.7	0	0	0	112.1	D224 V228	D224-N226 PolarHBondContact O-N 3.24Å; D224-N226 WeakPolarHBondContact OD1-CA 3.36Å; D224-N226 WeakPolarHBondContact OD1-CB 3.36Å; D224-N226 PolarHBondContact OD1-N 2.89Å; N226-V228 WeakPolarHBondContact O-CG2 3.45Å; N226-V228 PolarHBondContact O-N 3.09Å
227	T	94.1	Very high	91	Very high	9 Å²	9	26.8 Å²	26.8	6%	0.055	18%	0.178	C	C	.	.			trans	-66.4	128.3	177.8	-59.9	0	0	0	0	110.1	F191 L223 D224 V230	F191-T227 HydrophobicContact CB-CG2 4.44Å; F191-T227 VanDerWaalsContact CB-O 3.31Å; F191-T227 WeakPolarHBondContact CB-O 3.29Å; F191-T227 HydrophobicContact CD1-CG2 4.27Å; F191-T227 HydrophobicContact CD2-CG2 3.75Å; F191-T227 WeakPolarHBondContact CD2-O 3.32Å; F191-T227 HydrophobicContact CE1-CG2 4.49Å; F191-T227 HydrophobicContact CE2-CG2 3.98Å; F191-T227 HydrophobicContact CG-CG2 3.92Å; F191-T227 HydrophobicContact CZ-CG2 4.35Å; L223-T227 HydrophobicContact CD2-CG2 4.18Å; D224-T227 PolarHBondContact N-OG1 2.82Å; D224-T227 VanDerWaalsContact O-CB 3.28Å; D224-T227 WeakPolarHBondContact O-CB 3.49Å; D224-T227 PolarHBondContact O-N 3.43Å; D224-T227 PolarHBondContact O-OG1 3.05Å; D224-T227 PolarHBondContact OD1-N 3.42Å; D224-T227 PolarHBondContact OD1-OG1 2.82Å; T227-V230 HydrophobicContact CG2-CG2 3.4Å
228	V	93.4	Very high	90.9	Very high	27 Å²	27	28.9 Å²	28.9	16%	0.164	19%	0.187	C	C	.	.			trans	-111.9	-50.3	-176.9	-178.6	0	0	0	0	111.1	G164 D165 L168 N226 L379 F380 S382	G164-V228 CarbonylContact C-O 3.56Å; G164-V228 WeakPolarHBondContact CA-O 3.09Å; D165-V228 PolarHBondContact N-O 2.66Å; L168-V228 HydrophobicContact CD1-CG1 3.82Å; N226-V228 WeakPolarHBondContact O-CG2 3.45Å; N226-V228 PolarHBondContact O-N 3.09Å; V228-L379 HydrophobicContact CG1-CD1 3.76Å; V228-F380 HydrophobicContact CB-CE1 4.18Å; V228-F380 HydrophobicContact CB-CZ 4.32Å; V228-F380 HydrophobicContact CG2-CD1 4.46Å; V228-F380 HydrophobicContact CG2-CE1 3.61Å; V228-F380 HydrophobicContact CG2-CZ 3.75Å; V228-S382 PolarHBondContact N-OG 3.43Å
229	L	95.3	Very high	90.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	129.5	-177.9	-174.5	66.1	0	0	0	110.1	L162 F163 L186 L368 L379 F380 I381 S382	L162-L229 HydrophobicContact CB-CD1 4.3Å; L162-L229 HydrophobicContact CD2-CD1 4.1Å; L162-L229 HydrophobicContact CD2-CD2 4.26Å; L162-L229 HydrophobicContact CD2-CG 4.09Å; F163-L229 CarbonylContact O-C 3.59Å; F163-L229 WeakPolarHBondContact O-CA 3.44Å; L186-L229 HydrophobicContact CD1-CD1 3.81Å; L229-L368 HydrophobicContact CD2-CD1 4.38Å; L229-L379 HydrophobicContact CB-CD1 4.16Å; L229-L379 HydrophobicContact CD2-CD1 4.17Å; L229-L379 HydrophobicContact CD2-CD2 3.92Å; L229-L379 HydrophobicContact CD2-CG 3.99Å; L229-F380 WeakPolarHBondContact CB-O 3.29Å; L229-I381 HydrophobicContact CB-CD1 4.38Å; L229-I381 HydrophobicContact CD2-CD1 3.37Å; L229-I381 HydrophobicContact CD2-CG1 4.34Å; L229-I381 HydrophobicContact CG-CD1 3.69Å; L229-S382 PolarHBondContact N-OG 2.92Å; L229-S382 PolarHBondContact O-N 2.82Å
230	V	95.6	Very high	90.6	Very high	1 Å²	1	27 Å²	27	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.5	178.6	-178.6	0	0	0	0	109.6	F163 L223 T227 V232 D383 Y385	F163-V230 PolarHBondContact N-O 2.89Å; F163-V230 PolarHBondContact O-N 2.61Å; L223-V230 HydrophobicContact CD2-CG2 3.8Å; T227-V230 HydrophobicContact CG2-CG2 3.4Å; V230-V232 HydrophobicContact CG1-CG2 3.88Å; V230-D383 WeakPolarHBondContact CA-O 3.47Å; V230-Y385 HydrophobicContact CG1-CD2 3.68Å; V230-Y385 HydrophobicContact CG1-CE2 3.88Å
231	L	93.9	Very high	90.7	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124.3	171.3	179.4	63.7	0	0	0	109	A102 F103 M105 L162 D383 A384 Y385	A102-L231 HydrophobicContact CB-CD1 4.03Å; A102-L231 HydrophobicContact CB-CD2 3.8Å; A102-L231 HydrophobicContact CB-CG 4.16Å; F103-L231 HydrophobicContact CD1-CD2 4.43Å; F103-L231 HydrophobicContact CD2-CD2 3.72Å; F103-L231 HydrophobicContact CE1-CD2 4.32Å; F103-L231 HydrophobicContact CE2-CD2 3.59Å; F103-L231 HydrophobicContact CG-CD2 4.15Å; F103-L231 HydrophobicContact CZ-CD2 3.91Å; M105-L231 HydrophobicContact CE-CD1 3.7Å; L162-L231 HydrophobicContact CD2-CB 3.8Å; L162-L231 HydrophobicContact CD2-CD1 3.64Å; L162-L231 HydrophobicContact CD2-CG 4.29Å; L162-L231 HydrophobicContact CG-CD1 3.72Å; L231-D383 PolarHBondContact N-O 3.35Å; L231-A384 HydrophobicContact CB-CB 3.99Å; L231-A384 HydrophobicContact CD2-CB 4.39Å; L231-A384 CarbonylContact O-C 3.57Å; L231-A384 VanDerWaalsContact O-CA 3.26Å; L231-A384 WeakPolarHBondContact O-CA 3.14Å; L231-Y385 PolarHBondContact O-N 3.29Å
232	V	92.3	Very high	90.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.7	175.4	-170.6	0	0	0	0	110	N160 R161 F163 I202 I206 T217 L218 V230 T234	N160-V232 WeakPolarHBondContact CA-O 3.34Å; R161-V232 PolarHBondContact N-O 2.91Å; R161-V232 PolarHBondContact O-N 3.12Å; F163-V232 HydrophobicContact CD2-CB 4.38Å; F163-V232 HydrophobicContact CD2-CG2 3.86Å; F163-V232 HydrophobicContact CE2-CB 3.97Å; F163-V232 HydrophobicContact CE2-CG2 3.86Å; I202-V232 HydrophobicContact CG2-CG2 3.93Å; I206-V232 HydrophobicContact CD1-CG1 3.49Å; I206-V232 VanDerWaalsContact CD1-CG1 3.49Å; I206-V232 HydrophobicContact CG1-CG1 4.34Å; T217-V232 HydrophobicContact CG2-CG1 4Å; L218-V232 HydrophobicContact CD1-CG1 4.11Å; L218-V232 HydrophobicContact CD1-CG2 3.94Å; V230-V232 HydrophobicContact CG1-CG2 3.88Å; V232-T234 HydrophobicContact CG1-CG2 4.29Å
233	N	89.8	Confident	90.8	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.011	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	117.1	-177.2	-176.1	-98.4	0	0	0	109.4	S98 A102 N160 Y385 H386 K387	S98-N233 VanDerWaalsContact C-ND2 3.29Å; S98-N233 WeakPolarHBondContact CB-OD1 3.36Å; S98-N233 PolarHBondContact O-ND2 2.95Å; S98-N233 PolarHBondContact OG-ND2 3.28Å; S98-N233 PolarHBondContact OG-OD1 2.61Å; A102-N233 HydrophobicContact CB-CB 4.15Å; N160-N233 PolarHBondContact OD1-ND2 2.84Å; N233-Y385 PolarHBondContact N-O 3.47Å; N233-H386 WeakPolarHBondContact O-CA 3.18Å; N233-H386 PolarHBondContact O-ND1 3.08Å; N233-H386 PolarHBondContact OD1-CE1 3.26Å; N233-H386 PolarHBondContact OD1-ND1 3.24Å; N233-K387 PolarHBondContact O-N 3.44Å; N233-K387 VanDerWaalsContact O-N 3.08Å
234	T	86.1	Confident	90.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	141.6	176.2	57.7	0	0	0	0	110.6	S158 A159 I206 I214 T217 V232 K387	S158-T234 CarbonylContact C-O 3.34Å; S158-T234 WeakPolarHBondContact CA-O 3.48Å; A159-T234 WeakPolarHBondContact CB-OG1 3.26Å; A159-T234 PolarHBondContact N-O 2.73Å; A159-T234 PolarHBondContact O-N 2.75Å; A159-T234 PolarHBondContact O-OG1 3.19Å; A159-T234 VanDerWaalsContact O-OG1 3.1Å; I206-T234 HydrophobicContact CD1-CG2 4.18Å; I206-T234 HydrophobicContact CG1-CG2 4.44Å; I206-T234 HydrophobicContact CG2-CG2 3.77Å; I214-T234 HydrophobicContact CG2-CG2 4.27Å; T217-T234 HydrophobicContact CG2-CG2 3.76Å; V232-T234 HydrophobicContact CG1-CG2 4.29Å; T234-K387 WeakPolarHBondContact CA-O 3.39Å; T234-K387 HydrophobicContact CG2-CB 4.07Å
235	I	86.3	Confident	90.7	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	142.9	178.7	-166	168.7	0	0	0	111.1	L156 V157 K387 A388 F439	L156-I235 HydrophobicContact CD1-CD1 3.81Å; L156-I235 HydrophobicContact CD1-CG1 3.87Å; L156-I235 HydrophobicContact CG-CD1 4.3Å; V157-I235 CarbonylContact O-C 3.5Å; V157-I235 WeakPolarHBondContact O-CA 3.42Å; I235-K387 PolarHBondContact N-O 3.03Å; I235-A388 HydrophobicContact CG2-CB 4.4Å; I235-F439 HydrophobicContact CD1-CZ 4Å; I235-F439 HydrophobicContact CG1-CE1 4.37Å; I235-F439 HydrophobicContact CG1-CZ 3.89Å; I235-F439 HydrophobicContact CG2-CE1 3.58Å; I235-F439 HydrophobicContact CG2-CZ 4Å
236	Y	84.4	Confident	90.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	131.6	-175.8	164.9	-94.2	0	0	0	108.4	L155 L156 V157 R213 K238 F389 E398	L155-Y236 HydrophobicContact CD2-CE1 4.36Å; L156-Y236 WeakPolarHBondContact CA-O 3.28Å; V157-Y236 HydrophobicContact CB-CD1 4.2Å; V157-Y236 HydrophobicContact CG2-CD1 4.28Å; V157-Y236 PolarHBondContact N-O 3.24Å; V157-Y236 PolarHBondContact O-N 3.24Å; R213-Y236 HydrophobicContact CB-CD2 4.25Å; R213-Y236 HydrophobicContact CB-CE2 4.48Å; R213-Y236 HydrophobicContact CG-CE2 4.5Å; R213-Y236 PolarHBondContact NE-OH 2.77Å; Y236-K238 HydrophobicContact CE1-CB 3.79Å; Y236-K238 WeakPolarHBondContact OH-CB 3.33Å; Y236-F389 HydrophobicContact CD2-CB 4.36Å; Y236-F389 AromaticContact CD2-CD1 3.73Å; Y236-F389 HydrophobicContact CD2-CD1 3.73Å; Y236-F389 HydrophobicContact CD2-CG 4.39Å; Y236-F389 AromaticContact CE2-CD1 3.73Å; Y236-F389 HydrophobicContact CE2-CD1 3.73Å; Y236-F389 HydrophobicContact CE2-CE1 4.12Å; Y236-E398 WeakPolarHBondContact CE2-OE2 3.45Å; Y236-E398 VanDerWaalsContact OH-CB 3.29Å; Y236-E398 WeakPolarHBondContact OH-CB 3.43Å; Y236-E398 PolarHBondContact OH-OE1 2.8Å; Y236-E398 PolarHBondContact OH-OE2 2.71Å
237	F	84.2	Confident	90.2	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.1	178.7	173.6	-101	0	0	0	111.7	T154 L156 Y291 I296 L390 I429 F439	T154-F237 HydrophobicContact CG2-CD2 4.29Å; T154-F237 HydrophobicContact CG2-CE2 3.38Å; T154-F237 HydrophobicContact CG2-CZ 3.92Å; L156-F237 HydrophobicContact CB-CD2 4.44Å; L156-F237 HydrophobicContact CD1-CB 3.81Å; L156-F237 HydrophobicContact CD1-CD2 3.88Å; L156-F237 HydrophobicContact CD1-CG 4.32Å; F237-Y291 HydrophobicContact CE1-CD2 4.41Å; F237-Y291 AromaticContact CE1-CE1 3.93Å; F237-Y291 HydrophobicContact CE1-CE1 3.93Å; F237-Y291 AromaticContact CE1-CE2 3.8Å; F237-Y291 HydrophobicContact CE1-CE2 3.8Å; F237-Y291 AromaticContact CE1-CZ 3.52Å; F237-Y291 HydrophobicContact CZ-CD1 4.38Å; F237-Y291 AromaticContact CZ-CD2 3.98Å; F237-Y291 HydrophobicContact CZ-CD2 3.98Å; F237-Y291 HydrophobicContact CZ-CE1 4.22Å; F237-Y291 AromaticContact CZ-CE2 3.8Å; F237-Y291 HydrophobicContact CZ-CE2 3.8Å; F237-Y291 HydrophobicContact CZ-CG 4.25Å; F237-Y291 AromaticContact CZ-CZ 3.92Å; F237-I296 HydrophobicContact CE2-CD1 4.25Å; F237-I296 HydrophobicContact CE2-CG2 4.15Å; F237-I296 HydrophobicContact CZ-CG2 4.01Å; F237-L390 HydrophobicContact CD1-CD1 4.4Å; F237-I429 HydrophobicContact CD1-CD1 3.86Å; F237-I429 HydrophobicContact CE1-CD1 4.05Å; F237-I429 HydrophobicContact CE1-CG2 4.39Å; F237-I429 HydrophobicContact CZ-CG2 4.34Å; F237-F439 HydrophobicContact CB-CD2 4.39Å; F237-F439 HydrophobicContact CB-CE1 4.48Å; F237-F439 HydrophobicContact CB-CE2 3.5Å; F237-F439 VanDerWaalsContact CB-CE2 3.5Å; F237-F439 HydrophobicContact CB-CZ 3.54Å; F237-F439 HydrophobicContact CD2-CE2 4.41Å; F237-F439 HydrophobicContact CG-CE2 4.04Å
238	K	84.3	Confident	89.7	Confident	44 Å²	44	30.3 Å²	30.3	19%	0.191	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.9	172.3	-173.7	170.6	-161.2	141.6	0	108.4	T154 L155 Y236 S397 E398	T154-K238 CarbonylContact C-O 3.58Å; T154-K238 VanDerWaalsContact CA-O 3.29Å; T154-K238 WeakPolarHBondContact CA-O 3.41Å; T154-K238 VanDerWaalsContact CG2-O 3.32Å; T154-K238 WeakPolarHBondContact CG2-O 3.21Å; L155-K238 HydrophobicContact CB-CB 4.07Å; L155-K238 HydrophobicContact CD2-CD 4.45Å; L155-K238 PolarHBondContact N-O 3.04Å; L155-K238 PolarHBondContact O-N 3.01Å; L155-K238 VanDerWaalsContact O-O 3.13Å; Y236-K238 HydrophobicContact CE1-CB 3.79Å; Y236-K238 WeakPolarHBondContact OH-CB 3.33Å; K238-S397 CarbonylContact C-O 3.49Å; K238-S397 WeakPolarHBondContact CA-O 3.46Å; K238-S397 VanDerWaalsContact CG-O 3.31Å; K238-S397 WeakPolarHBondContact CG-O 3.45Å; K238-E398 HydrophobicContact CB-CB 4.45Å; K238-E398 HydrophobicContact CD-CB 4.19Å; K238-E398 WeakPolarHBondContact CE-O 3.21Å; K238-E398 HydrophobicContact CG-CB 3.94Å; K238-E398 VanDerWaalsContact CG-O 3.24Å; K238-E398 WeakPolarHBondContact CG-O 3.08Å; K238-E398 IonicContact NZ-OE1 3.97Å; K238-E398 PolarHBondContact NZ-OE1 3.17Å
239	G	87.4	Confident	89.2	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	133.2	177.8	0	0	0	0	0	110.6	Y291 G396 S397	G239-Y291 VanDerWaalsContact C-CD1 3.41Å; G239-Y291 VanDerWaalsContact O-CD1 3.25Å; G239-Y291 WeakPolarHBondContact O-CD1 3.49Å; G239-Y291 VanDerWaalsContact O-CE1 3.28Å; G239-Y291 WeakPolarHBondContact O-CE1 3.17Å; G239-G396 CarbonylContact O-C 3.58Å; G239-G396 WeakPolarHBondContact O-CA 3.4Å; G239-S397 PolarHBondContact N-O 2.99Å; G239-S397 PolarHBondContact O-N 3.32Å
240	L	90.6	Very high	88.8	Confident	36 Å²	36	33.1 Å²	33.1	19%	0.188	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	136.4	174.9	-62.8	177.7	0	0	0	110.6	T153 Y291 R292 E395 A399	T153-L240 HydrophobicContact CG2-CD1 4.38Å; T153-L240 PolarHBondContact O-N 3.49Å; L240-Y291 CarbonylContact O-C 3.35Å; L240-Y291 VanDerWaalsContact O-CA 3.29Å; L240-Y291 WeakPolarHBondContact O-CA 3.39Å; L240-Y291 WeakPolarHBondContact O-CB 3.36Å; L240-R292 HydrophobicContact CB-CG 4.26Å; L240-R292 PolarHBondContact O-N 3.27Å; L240-E395 CarbonylContact C-O 3.59Å; L240-E395 WeakPolarHBondContact CA-O 3Å; L240-E395 HydrophobicContact CD2-CB 4.32Å; L240-A399 HydrophobicContact CD2-CB 4.36Å
241	W	92.9	Very high	88.6	Confident	3 Å²	3	38.8 Å²	38.8	1%	0.011	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-57.8	142.3	173.4	-65.7	128.5	0	0	0	110.7	N243 K244 F245 M289 Y291 M298 V392 N393 E395 G396	W241-N243 VanDerWaalsContact C-N 3.35Å; W241-N243 WeakPolarHBondContact CB-O 3.44Å; W241-K244 HydrophobicContact CB-CG 4.33Å; W241-F245 AromaticContact NE1-CE2 3.98Å; W241-M289 HydrophobicContact CD2-CE 4.28Å; W241-M289 HydrophobicContact CE3-CB 4.23Å; W241-M289 HydrophobicContact CE3-CE 4.29Å; W241-M289 HydrophobicContact CH2-CB 4.47Å; W241-M289 HydrophobicContact CH2-CE 4.35Å; W241-M289 HydrophobicContact CZ2-CE 4.31Å; W241-M289 HydrophobicContact CZ3-CB 3.83Å; W241-M289 HydrophobicContact CZ3-CE 4.33Å; W241-Y291 HydrophobicContact CD2-CD1 4.37Å; W241-Y291 HydrophobicContact CD2-CE1 4.12Å; W241-Y291 AromaticContact CE3-CD1 3.75Å; W241-Y291 HydrophobicContact CE3-CD1 3.75Å; W241-Y291 AromaticContact CE3-CE1 3.6Å; W241-Y291 HydrophobicContact CE3-CE1 3.6Å; W241-Y291 HydrophobicContact CE3-CG 4.33Å; W241-Y291 AromaticContact CH2-CE1 3.72Å; W241-Y291 HydrophobicContact CH2-CE1 3.72Å; W241-Y291 HydrophobicContact CH2-CE2 4.33Å; W241-Y291 AromaticContact CH2-CZ 3.54Å; W241-Y291 WeakPolarHBondContact CH2-OH 3.31Å; W241-Y291 HydrophobicContact CZ2-CE1 4.24Å; W241-Y291 AromaticContact CZ3-CD1 3.89Å; W241-Y291 HydrophobicContact CZ3-CD1 3.89Å; W241-Y291 HydrophobicContact CZ3-CD2 4.29Å; W241-Y291 AromaticContact CZ3-CE1 3.39Å; W241-Y291 HydrophobicContact CZ3-CE1 3.39Å; W241-Y291 AromaticContact CZ3-CE2 3.84Å; W241-Y291 HydrophobicContact CZ3-CE2 3.84Å; W241-Y291 HydrophobicContact CZ3-CG 4.34Å; W241-Y291 AromaticContact CZ3-CZ 3.35Å; W241-M298 HydrophobicContact CH2-CB 3.85Å; W241-M298 HydrophobicContact CH2-CE 3.88Å; W241-M298 HydrophobicContact CH2-CG 4.39Å; W241-M298 HydrophobicContact CH2-SD 3.7Å; W241-M298 HydrophobicContact CZ2-SD 4.42Å; W241-M298 HydrophobicContact CZ3-CB 3.94Å; W241-V392 HydrophobicContact CZ2-CG1 3.93Å; W241-N393 PolarHBondContact NE1-O 3.15Å; W241-E395 VanDerWaalsContact CD1-C 3.48Å; W241-E395 PolarHBondContact N-O 3.03Å; W241-G396 VanDerWaalsContact NE1-CA 3.31Å
242	K	92.1	Very high	88.5	Confident	96 Å²	96	41.9 Å²	41.9	42%	0.417	22%	0.221	S	C	.	.	S	Bend	trans	-62.7	-47.6	166.5	-178.8	174.3	179.7	171.9	0	110	P290 D294	K242-P290 HydrophobicContact CB-CB 4.23Å; K242-P290 HydrophobicContact CB-CG 4.04Å; K242-P290 VanDerWaalsContact CB-O 3.26Å; K242-P290 WeakPolarHBondContact CB-O 3.26Å; K242-P290 HydrophobicContact CD-CB 4.17Å; K242-P290 HydrophobicContact CD-CG 3.85Å; K242-P290 PolarHBondContact N-O 3.27Å; K242-D294 WeakPolarHBondContact CD-OD1 3.23Å; K242-D294 WeakPolarHBondContact CE-OD1 3.4Å; K242-D294 IonicContact NZ-OD1 2.71Å; K242-D294 PolarHBondContact NZ-OD1 2.9Å; K242-D294 IonicContact NZ-OD2 3.23Å; K242-D294 PolarHBondContact NZ-OD2 3Å
243	N	92.1	Very high	88.5	Confident	55 Å²	55	43.9 Å²	43.9	29%	0.294	24%	0.235	S	C	.	.	S	Bend	trans	-110.7	99.6	173.7	-60.5	-48.4	0	0	0	109.1	W241 Q270 T272 F274	W241-N243 VanDerWaalsContact C-N 3.35Å; W241-N243 WeakPolarHBondContact CB-O 3.44Å; N243-Q270 PolarHBondContact O-NE2 2.91Å; N243-Q270 VanDerWaalsContact O-NE2 3.15Å; N243-Q270 PolarHBondContact O-OE1 2.69Å; N243-T272 HydrophobicContact CB-CG2 4.29Å; N243-F274 HydrophobicContact CB-CE1 4.34Å; N243-F274 HydrophobicContact CB-CZ 4.23Å
244	K	93.1	Very high	88.7	Confident	54 Å²	54	48.5 Å²	48.5	24%	0.235	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-70.8	150.2	-179.9	-64.3	-179	177.6	-173.4	0	111.2	W241 E394 E395	W241-K244 HydrophobicContact CB-CG 4.33Å; K244-E394 WeakPolarHBondContact CA-O 3.27Å; K244-E394 WeakPolarHBondContact CB-O 3.21Å; K244-E395 WeakPolarHBondContact CD-OE2 3.46Å; K244-E395 WeakPolarHBondContact CE-OE2 3.3Å; K244-E395 IonicContact NZ-OE2 2.81Å; K244-E395 PolarHBondContact NZ-OE2 3.01Å
245	F	92	Very high	89.2	Confident	9 Å²	9	48.5 Å²	48.5	4%	0.039	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-74.7	138.6	168.5	-65.5	-97.2	0	0	0	109.9	W241 K247 M268 Q270 M289 V335 E394	W241-F245 AromaticContact NE1-CE2 3.98Å; F245-K247 PolarHBondContact O-N 3.27Å; F245-M268 HydrophobicContact CB-CB 4.18Å; F245-M268 HydrophobicContact CD1-CB 3.52Å; F245-M268 HydrophobicContact CD2-CB 4.28Å; F245-M268 HydrophobicContact CD2-CE 4.15Å; F245-M268 HydrophobicContact CD2-SD 4.18Å; F245-M268 HydrophobicContact CE1-CB 3.86Å; F245-M268 HydrophobicContact CE2-CE 3.93Å; F245-M268 HydrophobicContact CG-CB 3.75Å; F245-M268 HydrophobicContact CG-SD 4.41Å; F245-M268 HydrophobicContact CZ-CB 4.38Å; F245-M268 HydrophobicContact CZ-CE 4.32Å; F245-Q270 HydrophobicContact CD1-CB 3.75Å; F245-Q270 HydrophobicContact CD1-CG 3.69Å; F245-Q270 VanDerWaalsContact CD2-NE2 3.31Å; F245-Q270 HydrophobicContact CE1-CB 4.09Å; F245-Q270 HydrophobicContact CE1-CG 3.56Å; F245-Q270 HydrophobicContact CG-CB 4.5Å; F245-Q270 HydrophobicContact CG-CG 4.43Å; F245-Q270 HydrophobicContact CZ-CG 4.21Å; F245-Q270 VanDerWaalsContact CZ-NE2 3.28Å; F245-M289 HydrophobicContact CE2-CE 3.5Å; F245-M289 VanDerWaalsContact CE2-CE 3.5Å; F245-M289 HydrophobicContact CZ-CE 3.56Å; F245-V335 HydrophobicContact CE1-CG1 4.32Å; F245-V335 HydrophobicContact CZ-CG1 4.23Å; F245-E394 HydrophobicContact CB-CB 3.84Å; F245-E394 HydrophobicContact CB-CG 3.92Å; F245-E394 PolarHBondContact N-O 2.03Å
246	P	88.8	Confident	89.6	Confident	44 Å²	44	52.2 Å²	52.2	29%	0.286	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-63.6	131.6	169.1	-16.8	30	0	0	0	110.2	D248 S249	P246-D248 PolarHBondContact O-N 2.92Å; P246-S249 WeakPolarHBondContact O-CB 3.26Å; P246-S249 PolarHBondContact O-N 3.3Å
247	K	85.2	Confident	90	Very high	100 Å²	100	52.6 Å²	52.6	44%	0.435	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-62.2	-28.7	179.5	-68.3	-174.8	177.9	175.8	0	113.3	F245 S249 E395	F245-K247 PolarHBondContact O-N 3.27Å; K247-S249 PolarHBondContact O-N 3.25Å; K247-E395 WeakPolarHBondContact CE-OE1 3.34Å; K247-E395 IonicContact NZ-OE1 3.15Å; K247-E395 PolarHBondContact NZ-OE1 3.42Å
248	D	83.1	Confident	90.1	Very high	161 Å²	161	55.3 Å²	55.3	86%	0.861	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-80.4	-2.7	178.2	-50.8	-33.3	0	0	0	112.1	P246	P246-D248 PolarHBondContact O-N 2.92Å
249	S	83.8	Confident	90.2	Very high	30 Å²	30	62 Å²	62	21%	0.21	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-106.1	37.4	176.5	-59.2	0	0	0	0	111.6	P246 K247 Y269	P246-S249 WeakPolarHBondContact O-CB 3.26Å; P246-S249 PolarHBondContact O-N 3.3Å; K247-S249 PolarHBondContact O-N 3.25Å; S249-Y269 WeakPolarHBondContact CB-O 3.35Å; S249-Y269 PolarHBondContact O-N 3.41Å
250	L	87.8	Confident	90.2	Very high	57 Å²	57	67.5 Å²	67.5	30%	0.298	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123.9	169.2	-163.2	72.6	0	0	0	108.8	M267 M268	L250-M267 WeakPolarHBondContact CA-O 3.43Å; L250-M268 HydrophobicContact CD1-CG 3.8Å
251	M	89.8	Confident	90.3	Very high	119 Å²	119	69.4 Å²	69.4	59%	0.586	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	140	-178	-63.3	-173.4	175.4	0	0	110.3	M267	M251-M267 PolarHBondContact N-O 3.22Å; M251-M267 PolarHBondContact O-N 3.46Å
252	A	91.8	Very high	90.4	Very high	68 Å²	68	73 Å²	73	56%	0.562	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	130.1	167.2	0	0	0	0	0	109	E264 I265	A252-E264 HydrophobicContact CB-CG 4.01Å; A252-E264 WeakPolarHBondContact CB-OE1 3.44Å; A252-I265 WeakPolarHBondContact CA-O 3.31Å
253	S	92.5	Very high	90.5	Very high	42 Å²	42	69.6 Å²	69.6	29%	0.294	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	153.4	179	-174.8	0	0	0	0	109.9	I265 M267	S253-I265 PolarHBondContact N-O 2.84Å; S253-I265 PolarHBondContact O-N 2.83Å; S253-M267 VanDerWaalsContact CB-CG 3.48Å
254	E	94.9	Very high	90.6	Very high	99 Å²	99	74.3 Å²	74.3	46%	0.463	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	140.5	169.7	-63.4	-172.6	171.4	0	0	110.8	F256 N262 C263	E254-F256 HydrophobicContact CB-CE2 4.32Å; E254-F256 HydrophobicContact CB-CZ 4.1Å; E254-F256 WeakPolarHBondContact OE2-CZ 3.47Å; E254-N262 PolarHBondContact OE2-ND2 2.9Å; E254-N262 VanDerWaalsContact OE2-ND2 3.07Å; E254-C263 CarbonylContact C-O 3.53Å; E254-C263 WeakPolarHBondContact CA-O 3.49Å
255	F	96	Very high	90.7	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.3	165.1	-175.1	-80.2	0	0	0	108.9	V257 N262 C263 I265 M267 P338 D422 F425 A444 P446	F255-V257 HydrophobicContact CD1-CG2 3.89Å; F255-V257 HydrophobicContact CE1-CG2 4.15Å; F255-V257 PolarHBondContact O-N 3.3Å; F255-N262 CarbonylContact O-C 3.58Å; F255-N262 WeakPolarHBondContact O-CA 3.14Å; F255-N262 WeakPolarHBondContact O-CB 3.15Å; F255-C263 PolarHBondContact N-O 2.99Å; F255-C263 PolarHBondContact O-N 3.2Å; F255-I265 HydrophobicContact CB-CD1 3.4Å; F255-I265 HydrophobicContact CB-CG1 3.86Å; F255-I265 HydrophobicContact CD2-CD1 3.65Å; F255-I265 HydrophobicContact CG-CD1 3.76Å; F255-M267 HydrophobicContact CB-CE 4.48Å; F255-M267 HydrophobicContact CD2-CE 4.03Å; F255-P338 HydrophobicContact CE2-CG 4.45Å; F255-D422 CarbonylContact C-O 3.54Å; F255-D422 WeakPolarHBondContact CA-O 3.21Å; F255-D422 VanDerWaalsContact CD2-C 3.46Å; F255-F425 HydrophobicContact CE2-CD1 4.42Å; F255-F425 HydrophobicContact CE2-CE1 4.06Å; F255-A444 WeakPolarHBondContact CE1-O 3.41Å; F255-P446 HydrophobicContact CB-CG 4.45Å; F255-P446 HydrophobicContact CD1-CG 3.77Å; F255-P446 HydrophobicContact CD2-CG 3.8Å; F255-P446 HydrophobicContact CE1-CG 3.87Å; F255-P446 HydrophobicContact CE2-CG 3.89Å; F255-P446 HydrophobicContact CG-CG 3.73Å; F255-P446 HydrophobicContact CZ-CG 3.91Å
256	F	94.9	Very high	90.8	Very high	79 Å²	79	73.8 Å²	73.8	35%	0.346	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	96.7	-176.5	-57.1	-85	0	0	0	108.9	E254 N262 D422 H423 P424	E254-F256 HydrophobicContact CB-CE2 4.32Å; E254-F256 HydrophobicContact CB-CZ 4.1Å; E254-F256 WeakPolarHBondContact OE2-CZ 3.47Å; F256-N262 HydrophobicContact CD1-CB 4.01Å; F256-N262 HydrophobicContact CE1-CB 4.35Å; F256-D422 HydrophobicContact CD2-CB 4.46Å; F256-D422 WeakPolarHBondContact CD2-O 3.21Å; F256-D422 PolarHBondContact N-O 3.41Å; F256-H423 HydrophobicContact CB-CB 4.38Å; F256-H423 WeakPolarHBondContact O-CA 3.47Å; F256-P424 WeakPolarHBondContact O-CD 3.29Å
257	V	92.1	Very high	91.1	Very high	8 Å²	8	71.8 Å²	71.8	5%	0.048	39%	0.388	C	S	.	.	S	Bend	trans	-68.6	-40.5	179.1	-178.2	0	0	0	0	110.6	D89 F255 R261 P424 A444 D445	D89-V257 HydrophobicContact CB-CG1 4.2Å; F255-V257 HydrophobicContact CD1-CG2 3.89Å; F255-V257 HydrophobicContact CE1-CG2 4.15Å; F255-V257 PolarHBondContact O-N 3.3Å; V257-R261 PolarHBondContact N-O 3.37Å; V257-P424 WeakPolarHBondContact O-CG 3.12Å; V257-A444 VanDerWaalsContact CG1-O 3.32Å; V257-A444 WeakPolarHBondContact CG1-O 3.44Å; V257-D445 HydrophobicContact CG1-CB 4.27Å; V257-D445 HydrophobicContact CG2-CB 4.49Å
258	D	87.7	Confident	91.6	Very high	57 Å²	57	67 Å²	67	31%	0.305	37%	0.368	S	S	.	.	S	Bend	trans	-151.6	-178.8	172.6	61	64.1	0	0	0	110.1	S260 R261	D258-S260 PolarHBondContact O-N 3.15Å; D258-S260 VanDerWaalsContact O-N 3.11Å; D258-S260 VanDerWaalsContact OD1-CA 3.32Å; D258-S260 WeakPolarHBondContact OD1-CA 3.18Å; D258-S260 WeakPolarHBondContact OD1-CB 3.4Å; D258-S260 PolarHBondContact OD1-N 2.74Å; D258-S260 PolarHBondContact OD1-OG 3.4Å; D258-R261 PolarHBondContact N-O 3.09Å; D258-R261 PolarHBondContact O-N 3.26Å; D258-R261 WeakPolarHBondContact OD1-CB 3.41Å; D258-R261 PolarHBondContact OD1-N 3.33Å; D258-R261 WeakPolarHBondContact OD2-CB 3.34Å; D258-R261 IonicContact OD2-NE 3.39Å; D258-R261 PolarHBondContact OD2-NE 2.96Å
259	D	85.1	Confident	92.1	Very high	185 Å²	185	62.7 Å²	62.7	99%	0.989	34%	0.34	S	S	*	.	S	Bend	trans	-62.2	-17.8	-178.2	-68	-26.3	0	0	0	113.9
260	S	88.6	Confident	92.5	Very high	115 Å²	115	61.9 Å²	61.9	80%	0.804	33%	0.333	S	S	*	.	S	Bend	trans	-110.7	-21.1	-176.3	72.1	0	0	0	0	114	D258	D258-S260 PolarHBondContact O-N 3.15Å; D258-S260 VanDerWaalsContact O-N 3.11Å; D258-S260 VanDerWaalsContact OD1-CA 3.32Å; D258-S260 WeakPolarHBondContact OD1-CA 3.18Å; D258-S260 WeakPolarHBondContact OD1-CB 3.4Å; D258-S260 PolarHBondContact OD1-N 2.74Å; D258-S260 PolarHBondContact OD1-OG 3.4Å
261	R	92.9	Very high	92.7	Very high	76 Å²	76	62.6 Å²	62.6	29%	0.287	33%	0.334	S	S	.	.			trans	-126	120.4	-171	-174.3	171.3	61.6	113.6	-19.6	111.4	D89 V257 D258 D445	D89-R261 IonicContact OD2-NH2 3.44Å; D89-R261 PolarHBondContact OD2-NH2 3.04Å; V257-R261 PolarHBondContact N-O 3.37Å; D258-R261 PolarHBondContact N-O 3.09Å; D258-R261 PolarHBondContact O-N 3.26Å; D258-R261 WeakPolarHBondContact OD1-CB 3.41Å; D258-R261 PolarHBondContact OD1-N 3.33Å; D258-R261 WeakPolarHBondContact OD2-CB 3.34Å; D258-R261 IonicContact OD2-NE 3.39Å; D258-R261 PolarHBondContact OD2-NE 2.96Å; R261-D445 IonicContact CZ-OD2 2.72Å; R261-D445 IonicContact NH1-OD2 2.76Å; R261-D445 PolarHBondContact NH1-OD2 2.91Å; R261-D445 IonicContact NH2-OD2 2.9Å
262	N	93.8	Very high	92.7	Very high	78 Å²	78	59 Å²	59	42%	0.417	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	165.2	167.2	65.8	6.7	0	0	0	110.9	E254 F255 F256	E254-N262 PolarHBondContact OE2-ND2 2.9Å; E254-N262 VanDerWaalsContact OE2-ND2 3.07Å; F255-N262 CarbonylContact O-C 3.58Å; F255-N262 WeakPolarHBondContact O-CA 3.14Å; F255-N262 WeakPolarHBondContact O-CB 3.15Å; F256-N262 HydrophobicContact CD1-CB 4.01Å; F256-N262 HydrophobicContact CE1-CB 4.35Å
263	C	93.9	Very high	92.7	Very high	26 Å²	26	61.4 Å²	61.4	18%	0.176	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	152.8	172.4	66.9	0	0	0	0	110.4	E254 F255 I265 C447	E254-C263 CarbonylContact C-O 3.53Å; E254-C263 WeakPolarHBondContact CA-O 3.49Å; F255-C263 PolarHBondContact N-O 2.99Å; F255-C263 PolarHBondContact O-N 3.2Å; C263-I265 VanDerWaalsContact SG-CG2 3.51Å; C263-C447 HydrophobicContact CB-CB 3.68Å; C263-C447 WeakPolarHBondContact CB-SG 3.33Å; C263-C447 WeakPolarHBondContact SG-CB 3.34Å; C263-C447 CovalentContact SG-SG 2.01Å; C263-C447 PolarHBondContact SG-SG 3.24Å
264	E	95	Very high	92.8	Very high	154 Å²	154	59.7 Å²	59.7	72%	0.72	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	124.1	173.2	-172.6	175.4	-147.7	0	0	109.5	A252	A252-E264 HydrophobicContact CB-CG 4.01Å; A252-E264 WeakPolarHBondContact CB-OE1 3.44Å
265	I	95.1	Very high	92.9	Very high	10 Å²	10	58.1 Å²	58.1	5%	0.051	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	163.7	179.3	65.5	175.5	0	0	0	111.7	A252 S253 F255 C263 M267 P338 P446	A252-I265 WeakPolarHBondContact CA-O 3.31Å; S253-I265 PolarHBondContact N-O 2.84Å; S253-I265 PolarHBondContact O-N 2.83Å; F255-I265 HydrophobicContact CB-CD1 3.4Å; F255-I265 HydrophobicContact CB-CG1 3.86Å; F255-I265 HydrophobicContact CD2-CD1 3.65Å; F255-I265 HydrophobicContact CG-CD1 3.76Å; C263-I265 VanDerWaalsContact SG-CG2 3.51Å; I265-M267 HydrophobicContact CD1-CE 3.78Å; I265-M267 HydrophobicContact CD1-SD 4.36Å; I265-M267 HydrophobicContact CG1-CE 4.04Å; I265-M267 PolarHBondContact O-N 3.02Å; I265-P338 HydrophobicContact CD1-CB 3.45Å; I265-P338 VanDerWaalsContact CD1-CB 3.45Å; I265-P338 HydrophobicContact CD1-CG 4.31Å; I265-P338 HydrophobicContact CG1-CB 4.48Å; I265-P446 HydrophobicContact CD1-CB 4.26Å; I265-P446 HydrophobicContact CD1-CG 3.62Å
266	S	94.4	Very high	93	Very high	41 Å²	41	58.4 Å²	58.4	29%	0.287	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	111.1	174.2	-65.2	0	0	0	0	110.9	R339	S266-R339 PolarHBondContact O-N 2.87Å
267	M	94.3	Very high	93.1	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.6	173.5	-71.5	-66.7	-172.2	0	0	111.1	L250 M251 S253 F255 I265 T336 P338 A421 D422	L250-M267 WeakPolarHBondContact CA-O 3.43Å; M251-M267 PolarHBondContact N-O 3.22Å; M251-M267 PolarHBondContact O-N 3.46Å; S253-M267 VanDerWaalsContact CB-CG 3.48Å; F255-M267 HydrophobicContact CB-CE 4.48Å; F255-M267 HydrophobicContact CD2-CE 4.03Å; I265-M267 HydrophobicContact CD1-CE 3.78Å; I265-M267 HydrophobicContact CD1-SD 4.36Å; I265-M267 HydrophobicContact CG1-CE 4.04Å; I265-M267 PolarHBondContact O-N 3.02Å; M267-T336 HydrophobicContact CB-CG2 3.77Å; M267-T336 HydrophobicContact CG-CG2 4.1Å; M267-T336 HydrophobicContact SD-CG2 4.22Å; M267-P338 HydrophobicContact CE-CB 4.34Å; M267-P338 VanDerWaalsContact SD-CA 3.54Å; M267-P338 HydrophobicContact SD-CB 3.76Å; M267-P338 HydrophobicContact SD-CG 4.28Å; M267-P338 VanDerWaalsContact SD-N 3.39Å; M267-A421 WeakPolarHBondContact CE-O 3.26Å; M267-D422 HydrophobicContact CE-CB 4.19Å
268	M	95.4	Very high	93.4	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	135	173.7	-50.5	178.7	-65	0	0	109.3	F245 L250 T336 V337 R339 V392 E394	F245-M268 HydrophobicContact CB-CB 4.18Å; F245-M268 HydrophobicContact CD1-CB 3.52Å; F245-M268 HydrophobicContact CD2-CB 4.28Å; F245-M268 HydrophobicContact CD2-CE 4.15Å; F245-M268 HydrophobicContact CD2-SD 4.18Å; F245-M268 HydrophobicContact CE1-CB 3.86Å; F245-M268 HydrophobicContact CE2-CE 3.93Å; F245-M268 HydrophobicContact CG-CB 3.75Å; F245-M268 HydrophobicContact CG-SD 4.41Å; F245-M268 HydrophobicContact CZ-CB 4.38Å; F245-M268 HydrophobicContact CZ-CE 4.32Å; L250-M268 HydrophobicContact CD1-CG 3.8Å; M268-T336 VanDerWaalsContact O-CA 3.32Å; M268-T336 WeakPolarHBondContact O-CA 3.22Å; M268-V337 WeakPolarHBondContact CB-O 3.35Å; M268-V337 PolarHBondContact N-O 3.43Å; M268-V337 PolarHBondContact O-N 3.4Å; M268-R339 HydrophobicContact CG-CB 4.42Å; M268-R339 HydrophobicContact SD-CB 4.39Å; M268-V392 HydrophobicContact CE-CG1 3.92Å; M268-E394 HydrophobicContact CG-CG 3.99Å; M268-E394 HydrophobicContact SD-CB 4.27Å; M268-E394 HydrophobicContact SD-CG 3.74Å; M268-E394 PolarHBondContact SD-N 2.78Å
269	Y	94.5	Very high	93.8	Very high	70 Å²	70	57.6 Å²	57.6	28%	0.275	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135	179.9	176	-91.4	0	0	0	112.2	S249 E271 V335	S249-Y269 WeakPolarHBondContact CB-O 3.35Å; S249-Y269 PolarHBondContact O-N 3.41Å; Y269-E271 PolarHBondContact OH-OE2 2.78Å; Y269-V335 WeakPolarHBondContact CA-O 3.32Å
270	Q	92.5	Very high	94.1	Very high	13 Å²	13	57.7 Å²	57.7	6%	0.061	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	159.3	164.7	72.3	178.1	-73.9	0	0	111.2	N243 F245 T272 F274 V335	N243-Q270 PolarHBondContact O-NE2 2.91Å; N243-Q270 VanDerWaalsContact O-NE2 3.15Å; N243-Q270 PolarHBondContact O-OE1 2.69Å; F245-Q270 HydrophobicContact CD1-CB 3.75Å; F245-Q270 HydrophobicContact CD1-CG 3.69Å; F245-Q270 VanDerWaalsContact CD2-NE2 3.31Å; F245-Q270 HydrophobicContact CE1-CB 4.09Å; F245-Q270 HydrophobicContact CE1-CG 3.56Å; F245-Q270 HydrophobicContact CG-CB 4.5Å; F245-Q270 HydrophobicContact CG-CG 4.43Å; F245-Q270 HydrophobicContact CZ-CG 4.21Å; F245-Q270 VanDerWaalsContact CZ-NE2 3.28Å; Q270-T272 HydrophobicContact CG-CG2 4.49Å; Q270-F274 HydrophobicContact CG-CE2 4.2Å; Q270-F274 HydrophobicContact CG-CZ 4.48Å; Q270-V335 HydrophobicContact CG-CB 4.43Å; Q270-V335 PolarHBondContact N-O 3.37Å; Q270-V335 PolarHBondContact O-N 3.41Å
271	E	90.8	Very high	94.3	Very high	72 Å²	72	61.3 Å²	61.3	34%	0.336	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	115.6	174.4	-175.6	174.9	175.5	0	0	109.1	Y269 R416	Y269-E271 PolarHBondContact OH-OE2 2.78Å; E271-R416 VanDerWaalsContact OE1-CD 3.25Å; E271-R416 WeakPolarHBondContact OE1-CD 3.34Å; E271-R416 IonicContact OE1-CZ 2.74Å; E271-R416 IonicContact OE1-NE 3.72Å; E271-R416 IonicContact OE1-NH1 3.62Å; E271-R416 PolarHBondContact OE1-NH1 2.85Å; E271-R416 IonicContact OE2-CZ 3.09Å; E271-R416 IonicContact OE2-NH1 2.82Å; E271-R416 PolarHBondContact OE2-NH1 2.93Å
272	T	89.8	Confident	94.3	Very high	42 Å²	42	61.3 Å²	61.3	26%	0.258	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	-177	-179.6	-169.9	0	0	0	0	110.1	N243 Q270 F274 V333	N243-T272 HydrophobicContact CB-CG2 4.29Å; Q270-T272 HydrophobicContact CG-CG2 4.49Å; T272-F274 HydrophobicContact CG2-CD2 3.69Å; T272-F274 HydrophobicContact CG2-CE1 4.05Å; T272-F274 HydrophobicContact CG2-CE2 3.12Å; T272-F274 HydrophobicContact CG2-CG 4.38Å; T272-F274 HydrophobicContact CG2-CZ 3.31Å; T272-V333 PolarHBondContact N-O 2.74Å; T272-V333 PolarHBondContact O-N 2.95Å
273	K	92.3	Very high	94.4	Very high	120 Å²	120	62.1 Å²	62.1	52%	0.522	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	126.4	173.9	-67.7	-175.3	175.4	-171.2	0	111	E330 T331	K273-E330 HydrophobicContact CB-CG 3.8Å; K273-E330 HydrophobicContact CD-CG 4.15Å; K273-E330 WeakPolarHBondContact CD-OE2 3.46Å; K273-E330 HydrophobicContact CG-CG 4.46Å; K273-E330 IonicContact NZ-OE2 2.74Å; K273-T331 VanDerWaalsContact CA-O 3.28Å; K273-T331 WeakPolarHBondContact CA-O 3.45Å
274	F	95.6	Very high	94.5	Very high	6 Å²	6	60.9 Å²	60.9	3%	0.026	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	158.1	172.3	-71.1	-65.1	0	0	0	110	N243 Q270 T272 Y276 L287 M289 E330 T331 V335	N243-F274 HydrophobicContact CB-CE1 4.34Å; N243-F274 HydrophobicContact CB-CZ 4.23Å; Q270-F274 HydrophobicContact CG-CE2 4.2Å; Q270-F274 HydrophobicContact CG-CZ 4.48Å; T272-F274 HydrophobicContact CG2-CD2 3.69Å; T272-F274 HydrophobicContact CG2-CE1 4.05Å; T272-F274 HydrophobicContact CG2-CE2 3.12Å; T272-F274 HydrophobicContact CG2-CG 4.38Å; T272-F274 HydrophobicContact CG2-CZ 3.31Å; F274-Y276 PolarHBondContact O-N 2.9Å; F274-L287 HydrophobicContact CB-CD1 3.62Å; F274-L287 HydrophobicContact CD2-CD1 4.05Å; F274-L287 HydrophobicContact CG-CD1 4Å; F274-M289 HydrophobicContact CD1-CG 4.17Å; F274-M289 HydrophobicContact CE1-CB 4.31Å; F274-M289 HydrophobicContact CE1-CG 4.03Å; F274-M289 HydrophobicContact CZ-CE 4.33Å; F274-M289 HydrophobicContact CZ-CG 4.31Å; F274-E330 CarbonylContact O-C 3.55Å; F274-E330 WeakPolarHBondContact O-CA 3.37Å; F274-T331 PolarHBondContact N-O 3.01Å; F274-T331 PolarHBondContact O-N 3.48Å; F274-V335 HydrophobicContact CD2-CG2 3.64Å; F274-V335 HydrophobicContact CE2-CB 4.4Å; F274-V335 HydrophobicContact CE2-CG2 3.74Å
275	N	97	Very high	94.7	Very high	65 Å²	65	55.1 Å²	55.1	35%	0.348	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	122.6	163.9	-77.9	-22.2	0	0	0	107.5	E288 M328 R329 E330	N275-E288 HydrophobicContact CB-CB 3.93Å; N275-E288 HydrophobicContact CB-CG 4.39Å; N275-E288 PolarHBondContact ND2-OE2 2.68Å; N275-E288 PolarHBondContact O-N 3.22Å; N275-M328 VanDerWaalsContact C-CE 3.46Å; N275-M328 HydrophobicContact CB-CB 4.31Å; N275-M328 HydrophobicContact CB-CE 3.69Å; N275-M328 WeakPolarHBondContact O-CE 3.44Å; N275-R329 WeakPolarHBondContact CA-O 3.46Å; N275-E330 PolarHBondContact OD1-N 2.97Å
276	Y	98	Very high	94.8	Very high	7 Å²	7	54.7 Å²	54.7	3%	0.027	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	153.6	-174.6	166.6	-91.8	0	0	0	111.2	F274 D278 Q285 L286 R329 T331 V333 E417 F419	F274-Y276 PolarHBondContact O-N 2.9Å; Y276-D278 HydrophobicContact CE1-CB 4.39Å; Y276-Q285 HydrophobicContact CE2-CB 4.34Å; Y276-Q285 PolarHBondContact OH-NE2 2.8Å; Y276-L286 VanDerWaalsContact CA-O 3.28Å; Y276-L286 WeakPolarHBondContact CA-O 3.29Å; Y276-L286 WeakPolarHBondContact CD2-O 3.33Å; Y276-R329 PolarHBondContact N-O 3.01Å; Y276-R329 PolarHBondContact O-N 2.87Å; Y276-T331 HydrophobicContact CD1-CG2 4.27Å; Y276-V333 HydrophobicContact CD1-CG2 4.15Å; Y276-V333 HydrophobicContact CD2-CG1 4.33Å; Y276-V333 HydrophobicContact CD2-CG2 4.11Å; Y276-V333 HydrophobicContact CG-CG2 3.7Å; Y276-E417 HydrophobicContact CD1-CB 4.09Å; Y276-E417 HydrophobicContact CD1-CG 4Å; Y276-E417 HydrophobicContact CE1-CB 3.55Å; Y276-E417 HydrophobicContact CE1-CG 3.42Å; Y276-E417 VanDerWaalsContact CE1-CG 3.42Å; Y276-E417 WeakPolarHBondContact CE1-OE2 3.48Å; Y276-E417 PolarHBondContact OH-OE2 3.06Å; Y276-F419 HydrophobicContact CD2-CD2 4.41Å; Y276-F419 HydrophobicContact CE2-CD2 4.12Å
277	K	97.5	Very high	95	Very high	76 Å²	76	52.7 Å²	52.7	33%	0.33	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	129.1	169.6	-172.4	64.5	176.3	-179.8	0	111.2	L279 L286 Q327 M328	K277-L279 HydrophobicContact CD-CD2 4.49Å; K277-L279 HydrophobicContact CG-CD2 3.6Å; K277-L279 HydrophobicContact CG-CG 3.87Å; K277-L286 HydrophobicContact CB-CB 4.49Å; K277-L286 PolarHBondContact N-O 3.01Å; K277-L286 PolarHBondContact O-N 3.26Å; K277-Q327 HydrophobicContact CG-CB 4.42Å; K277-M328 HydrophobicContact CB-CG 3.91Å
278	D	96.9	Very high	95.2	Very high	39 Å²	39	53.1 Å²	53.1	21%	0.209	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	111.8	159.8	172.9	19.4	0	0	0	109	Y276 R280	Y276-D278 HydrophobicContact CE1-CB 4.39Å; D278-R280 PolarHBondContact O-N 3.42Å; D278-R280 VanDerWaalsContact OD2-CG 3.25Å; D278-R280 WeakPolarHBondContact OD2-CG 3.33Å; D278-R280 IonicContact OD2-NE 3.41Å; D278-R280 PolarHBondContact OD2-NE 3.37Å
279	L	96	Very high	95.3	Very high	12 Å²	12	53.1 Å²	53.1	6%	0.063	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	81.4	175.6	-65.9	175.3	0	0	0	109.2	K277 E281 E282 K283 V284 L286 W324	K277-L279 HydrophobicContact CD-CD2 4.49Å; K277-L279 HydrophobicContact CG-CD2 3.6Å; K277-L279 HydrophobicContact CG-CG 3.87Å; L279-E281 VanDerWaalsContact C-N 3.28Å; L279-E281 PolarHBondContact O-N 2.98Å; L279-E282 HydrophobicContact CB-CB 3.96Å; L279-E282 HydrophobicContact CB-CG 4.3Å; L279-E282 CarbonylContact O-C 3.47Å; L279-E282 PolarHBondContact O-N 3.33Å; L279-K283 PolarHBondContact O-N 2.92Å; L279-V284 HydrophobicContact CB-CG2 3.95Å; L279-V284 HydrophobicContact CD1-CG2 3.98Å; L279-V284 HydrophobicContact CG-CG2 4.49Å; L279-V284 PolarHBondContact N-O 3.23Å; L279-V284 PolarHBondContact O-N 2.8Å; L279-L286 HydrophobicContact CD1-CD1 3.51Å; L279-L286 HydrophobicContact CD1-CG 4.28Å; L279-L286 HydrophobicContact CG-CD1 4.2Å; L279-W324 HydrophobicContact CD1-CB 4.06Å; L279-W324 HydrophobicContact CD1-CD2 3.73Å; L279-W324 HydrophobicContact CD1-CG 3.44Å; L279-W324 VanDerWaalsContact CD1-CG 3.44Å
280	R	92.8	Very high	95.3	Very high	187 Å²	187	50.9 Å²	50.9	71%	0.706	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-36.6	-174.7	-64.1	-177.9	-179.3	172.9	1.8	114.5	D278 E282 K283	D278-R280 PolarHBondContact O-N 3.42Å; D278-R280 VanDerWaalsContact OD2-CG 3.25Å; D278-R280 WeakPolarHBondContact OD2-CG 3.33Å; D278-R280 IonicContact OD2-NE 3.41Å; D278-R280 PolarHBondContact OD2-NE 3.37Å; R280-E282 VanDerWaalsContact C-N 3.34Å; R280-K283 PolarHBondContact O-N 3.49Å
281	E	91.5	Very high	95.3	Very high	190 Å²	190	50.2 Å²	50.2	89%	0.888	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-37.2	178	-66.3	179.4	-177.9	0	0	111.7	L279 K283	L279-E281 VanDerWaalsContact C-N 3.28Å; L279-E281 PolarHBondContact O-N 2.98Å; E281-K283 VanDerWaalsContact C-N 3.35Å
282	E	93.2	Very high	95.2	Very high	76 Å²	76	52.1 Å²	52.1	36%	0.355	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-7.3	-179.8	-61.1	-71.3	-172.1	0	0	112.7	L279 R280 V284 K320 W324	L279-E282 HydrophobicContact CB-CB 3.96Å; L279-E282 HydrophobicContact CB-CG 4.3Å; L279-E282 CarbonylContact O-C 3.47Å; L279-E282 PolarHBondContact O-N 3.33Å; R280-E282 VanDerWaalsContact C-N 3.34Å; E282-V284 VanDerWaalsContact C-N 3.28Å; E282-V284 HydrophobicContact CB-CG2 3.94Å; E282-V284 PolarHBondContact O-N 2.81Å; E282-K320 VanDerWaalsContact CD-NZ 3.35Å; E282-K320 WeakPolarHBondContact OE1-CE 3.32Å; E282-K320 IonicContact OE1-NZ 3.66Å; E282-K320 PolarHBondContact OE1-NZ 3.31Å; E282-K320 WeakPolarHBondContact OE2-CE 3.37Å; E282-K320 IonicContact OE2-NZ 3.35Å; E282-K320 PolarHBondContact OE2-NZ 3.47Å; E282-W324 HydrophobicContact CB-CZ2 3.87Å; E282-W324 HydrophobicContact CG-CZ2 3.85Å
283	K	95.8	Very high	94.9	Very high	96 Å²	96	52.1 Å²	52.1	42%	0.417	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	38.3	-177.5	-50	-84.9	-166.1	164.4	0	112.3	L279 R280 E281 P303 N304 H307	L279-K283 PolarHBondContact O-N 2.92Å; R280-K283 PolarHBondContact O-N 3.49Å; E281-K283 VanDerWaalsContact C-N 3.35Å; K283-P303 CarbonylContact O-C 3.58Å; K283-N304 VanDerWaalsContact C-CG 3.5Å; K283-N304 HydrophobicContact CB-CB 4.34Å; K283-N304 WeakPolarHBondContact O-CB 3.37Å; K283-N304 PolarHBondContact O-N 3.5Å; K283-N304 PolarHBondContact O-OD1 3.4Å; K283-H307 HydrophobicContact CB-CB 4.44Å
284	V	97.3	Very high	94.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	147	178.5	-59.2	0	0	0	0	111.9	L279 E282 I301 L302 V312 W324	L279-V284 HydrophobicContact CB-CG2 3.95Å; L279-V284 HydrophobicContact CD1-CG2 3.98Å; L279-V284 HydrophobicContact CG-CG2 4.49Å; L279-V284 PolarHBondContact N-O 3.23Å; L279-V284 PolarHBondContact O-N 2.8Å; E282-V284 VanDerWaalsContact C-N 3.28Å; E282-V284 HydrophobicContact CB-CG2 3.94Å; E282-V284 PolarHBondContact O-N 2.81Å; V284-I301 HydrophobicContact CB-CG2 4.24Å; V284-I301 HydrophobicContact CG1-CG2 4.35Å; V284-L302 CarbonylContact C-O 3.55Å; V284-L302 WeakPolarHBondContact CA-O 3.44Å; V284-V312 HydrophobicContact CG1-CG1 4.28Å; V284-V312 HydrophobicContact CG1-CG2 3.58Å; V284-W324 HydrophobicContact CG1-CH2 4.41Å; V284-W324 HydrophobicContact CG2-CH2 3.95Å; V284-W324 HydrophobicContact CG2-CZ2 4.11Å; V284-W324 HydrophobicContact CG2-CZ3 4.2Å
285	Q	98.2	Very high	94	Very high	33 Å²	33	52.2 Å²	52.2	15%	0.154	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	138	165.8	-60.4	-177.2	-81.9	0	0	109.8	Y276 L302 Y418 F419	Y276-Q285 HydrophobicContact CE2-CB 4.34Å; Y276-Q285 PolarHBondContact OH-NE2 2.8Å; Q285-L302 PolarHBondContact N-O 3.1Å; Q285-L302 PolarHBondContact O-N 3.27Å; Q285-Y418 PolarHBondContact NE2-O 3.46Å; Q285-F419 HydrophobicContact CB-CD2 3.91Å; Q285-F419 HydrophobicContact CB-CE2 3.84Å
286	L	98.3	Very high	93.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.8	176	-62.7	169	0	0	0	109.3	Y276 K277 L279 I301 W324 M328	Y276-L286 VanDerWaalsContact CA-O 3.28Å; Y276-L286 WeakPolarHBondContact CA-O 3.29Å; Y276-L286 WeakPolarHBondContact CD2-O 3.33Å; K277-L286 HydrophobicContact CB-CB 4.49Å; K277-L286 PolarHBondContact N-O 3.01Å; K277-L286 PolarHBondContact O-N 3.26Å; L279-L286 HydrophobicContact CD1-CD1 3.51Å; L279-L286 HydrophobicContact CD1-CG 4.28Å; L279-L286 HydrophobicContact CG-CD1 4.2Å; L286-I301 HydrophobicContact CD2-CB 4.05Å; L286-I301 HydrophobicContact CD2-CD1 4.27Å; L286-I301 HydrophobicContact CD2-CG1 3.64Å; L286-I301 HydrophobicContact CD2-CG2 3.83Å; L286-W324 HydrophobicContact CD1-CB 3.62Å; L286-W324 HydrophobicContact CD1-CD2 4.49Å; L286-W324 HydrophobicContact CD1-CG 4.17Å; L286-W324 HydrophobicContact CD2-CE3 4.17Å; L286-M328 HydrophobicContact CB-CE 4.46Å; L286-M328 HydrophobicContact CB-CG 4.29Å; L286-M328 HydrophobicContact CB-SD 3.85Å; L286-M328 HydrophobicContact CD1-CG 4.31Å; L286-M328 HydrophobicContact CD1-SD 4.23Å
287	L	98.6	Very high	93.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.3	172.7	177.8	69.3	0	0	0	109.2	F274 M289 V299 I300 V335 F419	F274-L287 HydrophobicContact CB-CD1 3.62Å; F274-L287 HydrophobicContact CD2-CD1 4.05Å; F274-L287 HydrophobicContact CG-CD1 4Å; L287-M289 HydrophobicContact CD2-CG 3.98Å; L287-M289 HydrophobicContact CD2-SD 3.75Å; L287-M289 HydrophobicContact CG-CG 3.97Å; L287-M289 HydrophobicContact CG-SD 4.38Å; L287-V299 CarbonylContact O-C 3.19Å; L287-V299 VanDerWaalsContact O-CA 3.31Å; L287-V299 WeakPolarHBondContact O-CA 3.43Å; L287-I300 PolarHBondContact N-O 3.23Å; L287-I300 PolarHBondContact O-N 2.96Å; L287-V335 HydrophobicContact CD1-CG2 3.94Å; L287-V335 HydrophobicContact CD2-CB 4.3Å; L287-V335 HydrophobicContact CD2-CG1 3.53Å; L287-V335 HydrophobicContact CD2-CG2 3.75Å; L287-F419 HydrophobicContact CB-CD1 4.22Å; L287-F419 HydrophobicContact CB-CD2 3.72Å; L287-F419 HydrophobicContact CB-CE1 4.06Å; L287-F419 HydrophobicContact CB-CE2 3.56Å; L287-F419 HydrophobicContact CB-CG 4.04Å; L287-F419 HydrophobicContact CB-CZ 3.73Å; L287-F419 HydrophobicContact CD2-CB 4.45Å; L287-F419 HydrophobicContact CD2-CD1 3.54Å; L287-F419 HydrophobicContact CD2-CD2 4.44Å; L287-F419 HydrophobicContact CD2-CE1 3.78Å; L287-F419 HydrophobicContact CD2-CG 3.89Å; L287-F419 HydrophobicContact CD2-CZ 4.32Å; L287-F419 HydrophobicContact CG-CD1 4.48Å; L287-F419 HydrophobicContact CG-CG 4.47Å
288	E	98.1	Very high	93.6	Very high	10 Å²	10	46.2 Å²	46.2	5%	0.047	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.3	172.8	169.1	170.6	-117.9	0	0	111	N275 T297 M298 V299 M328 R430	N275-E288 HydrophobicContact CB-CB 3.93Å; N275-E288 HydrophobicContact CB-CG 4.39Å; N275-E288 PolarHBondContact ND2-OE2 2.68Å; N275-E288 PolarHBondContact O-N 3.22Å; E288-T297 HydrophobicContact CG-CG2 4.01Å; E288-T297 VanDerWaalsContact OE1-CB 3.29Å; E288-T297 WeakPolarHBondContact OE1-CB 3.38Å; E288-T297 WeakPolarHBondContact OE1-CG2 3.39Å; E288-T297 PolarHBondContact OE1-OG1 3.08Å; E288-M298 CarbonylContact C-O 3.56Å; E288-M298 WeakPolarHBondContact CA-O 3.49Å; E288-V299 HydrophobicContact CB-CG2 4.22Å; E288-V299 HydrophobicContact CG-CG2 4.31Å; E288-M328 HydrophobicContact CB-CE 3.23Å; E288-M328 HydrophobicContact CG-CE 4.49Å; E288-R430 IonicContact OE1-CZ 3.96Å; E288-R430 IonicContact OE1-NE 3.38Å; E288-R430 PolarHBondContact OE1-NE 2.76Å; E288-R430 VanDerWaalsContact OE1-NE 3.07Å; E288-R430 IonicContact OE1-NH2 2.61Å; E288-R430 PolarHBondContact OE1-NH2 2.92Å; E288-R430 IonicContact OE2-NH2 2.68Å; E288-R430 PolarHBondContact OE2-NH2 3.39Å
289	M	96.6	Very high	93.7	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	111.6	-178.2	-63.5	177.1	60.2	0	0	109.8	W241 F245 F274 L287 T297 M298 I300 V335	W241-M289 HydrophobicContact CD2-CE 4.28Å; W241-M289 HydrophobicContact CE3-CB 4.23Å; W241-M289 HydrophobicContact CE3-CE 4.29Å; W241-M289 HydrophobicContact CH2-CB 4.47Å; W241-M289 HydrophobicContact CH2-CE 4.35Å; W241-M289 HydrophobicContact CZ2-CE 4.31Å; W241-M289 HydrophobicContact CZ3-CB 3.83Å; W241-M289 HydrophobicContact CZ3-CE 4.33Å; F245-M289 HydrophobicContact CE2-CE 3.5Å; F245-M289 VanDerWaalsContact CE2-CE 3.5Å; F245-M289 HydrophobicContact CZ-CE 3.56Å; F274-M289 HydrophobicContact CD1-CG 4.17Å; F274-M289 HydrophobicContact CE1-CB 4.31Å; F274-M289 HydrophobicContact CE1-CG 4.03Å; F274-M289 HydrophobicContact CZ-CE 4.33Å; F274-M289 HydrophobicContact CZ-CG 4.31Å; L287-M289 HydrophobicContact CD2-CG 3.98Å; L287-M289 HydrophobicContact CD2-SD 3.75Å; L287-M289 HydrophobicContact CG-CG 3.97Å; L287-M289 HydrophobicContact CG-SD 4.38Å; M289-T297 WeakPolarHBondContact O-CA 3.4Å; M289-M298 PolarHBondContact N-O 3.42Å; M289-M298 PolarHBondContact O-N 2.91Å; M289-I300 HydrophobicContact SD-CD1 4.41Å; M289-V335 HydrophobicContact SD-CG1 4.39Å
290	P	94.9	Very high	93.8	Very high	22 Å²	22	43.9 Å²	43.9	14%	0.143	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	140.5	178.1	26.3	-31.2	0	0	0	112.4	K242 T297	K242-P290 HydrophobicContact CB-CB 4.23Å; K242-P290 HydrophobicContact CB-CG 4.04Å; K242-P290 VanDerWaalsContact CB-O 3.26Å; K242-P290 WeakPolarHBondContact CB-O 3.26Å; K242-P290 HydrophobicContact CD-CB 4.17Å; K242-P290 HydrophobicContact CD-CG 3.85Å; K242-P290 PolarHBondContact N-O 3.27Å; P290-T297 HydrophobicContact CB-CG2 4.07Å
291	Y	92.3	Very high	94	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-80	166.7	160.6	-64.4	-81.6	0	0	0	110.1	F237 G239 L240 W241 G293 D294 I296 M298 S397 I429	F237-Y291 HydrophobicContact CE1-CD2 4.41Å; F237-Y291 AromaticContact CE1-CE1 3.93Å; F237-Y291 HydrophobicContact CE1-CE1 3.93Å; F237-Y291 AromaticContact CE1-CE2 3.8Å; F237-Y291 HydrophobicContact CE1-CE2 3.8Å; F237-Y291 AromaticContact CE1-CZ 3.52Å; F237-Y291 HydrophobicContact CZ-CD1 4.38Å; F237-Y291 AromaticContact CZ-CD2 3.98Å; F237-Y291 HydrophobicContact CZ-CD2 3.98Å; F237-Y291 HydrophobicContact CZ-CE1 4.22Å; F237-Y291 AromaticContact CZ-CE2 3.8Å; F237-Y291 HydrophobicContact CZ-CE2 3.8Å; F237-Y291 HydrophobicContact CZ-CG 4.25Å; F237-Y291 AromaticContact CZ-CZ 3.92Å; G239-Y291 VanDerWaalsContact C-CD1 3.41Å; G239-Y291 VanDerWaalsContact O-CD1 3.25Å; G239-Y291 WeakPolarHBondContact O-CD1 3.49Å; G239-Y291 VanDerWaalsContact O-CE1 3.28Å; G239-Y291 WeakPolarHBondContact O-CE1 3.17Å; L240-Y291 CarbonylContact O-C 3.35Å; L240-Y291 VanDerWaalsContact O-CA 3.29Å; L240-Y291 WeakPolarHBondContact O-CA 3.39Å; L240-Y291 WeakPolarHBondContact O-CB 3.36Å; W241-Y291 HydrophobicContact CD2-CD1 4.37Å; W241-Y291 HydrophobicContact CD2-CE1 4.12Å; W241-Y291 AromaticContact CE3-CD1 3.75Å; W241-Y291 HydrophobicContact CE3-CD1 3.75Å; W241-Y291 AromaticContact CE3-CE1 3.6Å; W241-Y291 HydrophobicContact CE3-CE1 3.6Å; W241-Y291 HydrophobicContact CE3-CG 4.33Å; W241-Y291 AromaticContact CH2-CE1 3.72Å; W241-Y291 HydrophobicContact CH2-CE1 3.72Å; W241-Y291 HydrophobicContact CH2-CE2 4.33Å; W241-Y291 AromaticContact CH2-CZ 3.54Å; W241-Y291 WeakPolarHBondContact CH2-OH 3.31Å; W241-Y291 HydrophobicContact CZ2-CE1 4.24Å; W241-Y291 AromaticContact CZ3-CD1 3.89Å; W241-Y291 HydrophobicContact CZ3-CD1 3.89Å; W241-Y291 HydrophobicContact CZ3-CD2 4.29Å; W241-Y291 AromaticContact CZ3-CE1 3.39Å; W241-Y291 HydrophobicContact CZ3-CE1 3.39Å; W241-Y291 AromaticContact CZ3-CE2 3.84Å; W241-Y291 HydrophobicContact CZ3-CE2 3.84Å; W241-Y291 HydrophobicContact CZ3-CG 4.34Å; W241-Y291 AromaticContact CZ3-CZ 3.35Å; Y291-G293 PolarHBondContact O-N 2.68Å; Y291-D294 PolarHBondContact O-N 2.9Å; Y291-D294 VanDerWaalsContact O-N 3.16Å; Y291-I296 WeakPolarHBondContact CB-O 3.32Å; Y291-I296 HydrophobicContact CD2-CB 4.38Å; Y291-I296 HydrophobicContact CD2-CG2 3.83Å; Y291-I296 WeakPolarHBondContact CD2-O 3.4Å; Y291-I296 HydrophobicContact CE2-CG2 4.29Å; Y291-I296 PolarHBondContact N-O 3.33Å; Y291-M298 HydrophobicContact CE2-CB 3.96Å; Y291-M298 WeakPolarHBondContact OH-CE 3.41Å; Y291-S397 PolarHBondContact OH-OG 3.03Å; Y291-I429 HydrophobicContact CE2-CG2 4.39Å
292	R	88.4	Confident	94.4	Very high	111 Å²	111	26 Å²	26	42%	0.419	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	134.2	174	-76.2	-168.4	174.8	-171.4	-4.5	110.7	T153 L240	T153-R292 HydrophobicContact CG2-CB 4.12Å; T153-R292 HydrophobicContact CG2-CG 4.48Å; L240-R292 HydrophobicContact CB-CG 4.26Å; L240-R292 PolarHBondContact O-N 3.27Å
293	G	83.6	Confident	94.6	Very high	42 Å²	42	22.5 Å²	22.5	43%	0.433	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	-9.7	-176.5	0	0	0	0	0	114.2	Y291 D295	Y291-G293 PolarHBondContact O-N 2.68Å; G293-D295 PolarHBondContact O-N 3.47Å
294	D	84.8	Confident	94.5	Very high	74 Å²	74	19.9 Å²	19.9	40%	0.396	11%	0.108	S	C	.	.	S	Bend	trans	61	-11.1	177.1	-66.7	-65.4	0	0	0	116	K242 Y291 I296 S432	K242-D294 WeakPolarHBondContact CD-OD1 3.23Å; K242-D294 WeakPolarHBondContact CE-OD1 3.4Å; K242-D294 IonicContact NZ-OD1 2.71Å; K242-D294 PolarHBondContact NZ-OD1 2.9Å; K242-D294 IonicContact NZ-OD2 3.23Å; K242-D294 PolarHBondContact NZ-OD2 3Å; Y291-D294 PolarHBondContact O-N 2.9Å; Y291-D294 VanDerWaalsContact O-N 3.16Å; D294-I296 VanDerWaalsContact C-N 3.34Å; D294-I296 PolarHBondContact O-N 2.8Å; D294-S432 PolarHBondContact O-OG 2.71Å
295	D	85.1	Confident	94.2	Very high	55 Å²	55	26.4 Å²	26.4	29%	0.294	14%	0.136	S	C	.	.	S	Bend	trans	-68.5	-30.7	178.3	-75.5	-19.7	0	0	0	111.8	K150 G293 E431 S432	K150-D295 IonicContact NZ-OD2 3.6Å; K150-D295 PolarHBondContact NZ-OD2 3.5Å; G293-D295 PolarHBondContact O-N 3.47Å; D295-E431 CarbonylContact O-C 3.48Å; D295-E431 VanDerWaalsContact O-CA 3.26Å; D295-E431 WeakPolarHBondContact O-CA 3.35Å; D295-E431 WeakPolarHBondContact O-CG 3.31Å; D295-S432 PolarHBondContact O-N 3.45Å; D295-S432 PolarHBondContact O-OG 3.47Å
296	I	91.3	Very high	93.7	Very high	15 Å²	15	28.7 Å²	28.7	8%	0.077	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.8	-179.2	-61.1	174.5	0	0	0	109.7	T154 F237 Y291 D294 I429 R430 L438	T154-I296 HydrophobicContact CG2-CD1 4.06Å; F237-I296 HydrophobicContact CE2-CD1 4.25Å; F237-I296 HydrophobicContact CE2-CG2 4.15Å; F237-I296 HydrophobicContact CZ-CG2 4.01Å; Y291-I296 WeakPolarHBondContact CB-O 3.32Å; Y291-I296 HydrophobicContact CD2-CB 4.38Å; Y291-I296 HydrophobicContact CD2-CG2 3.83Å; Y291-I296 WeakPolarHBondContact CD2-O 3.4Å; Y291-I296 HydrophobicContact CE2-CG2 4.29Å; Y291-I296 PolarHBondContact N-O 3.33Å; D294-I296 VanDerWaalsContact C-N 3.34Å; D294-I296 PolarHBondContact O-N 2.8Å; I296-I429 HydrophobicContact CG2-CG2 3.63Å; I296-R430 VanDerWaalsContact CA-O 3.31Å; I296-R430 WeakPolarHBondContact CA-O 3.36Å; I296-L438 HydrophobicContact CD1-CD1 3.97Å; I296-L438 HydrophobicContact CG1-CD1 4.17Å; I296-L438 HydrophobicContact CG2-CD1 4.19Å
297	T	94.8	Very high	93.3	Very high	6 Å²	6	31.4 Å²	31.4	4%	0.037	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	149.4	179.6	63.5	0	0	0	0	110.8	E288 M289 P290 I429 R430	E288-T297 HydrophobicContact CG-CG2 4.01Å; E288-T297 VanDerWaalsContact OE1-CB 3.29Å; E288-T297 WeakPolarHBondContact OE1-CB 3.38Å; E288-T297 WeakPolarHBondContact OE1-CG2 3.39Å; E288-T297 PolarHBondContact OE1-OG1 3.08Å; M289-T297 WeakPolarHBondContact O-CA 3.4Å; P290-T297 HydrophobicContact CB-CG2 4.07Å; T297-I429 WeakPolarHBondContact O-CA 3.45Å; T297-R430 PolarHBondContact N-O 2.92Å; T297-R430 PolarHBondContact O-N 3.31Å; T297-R430 WeakPolarHBondContact OG1-CG 3.25Å; T297-R430 PolarHBondContact OG1-NE 3.08Å
298	M	97.3	Very high	93	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127.2	164.4	-178.2	178.2	-73.7	0	0	108.5	W241 E288 M289 Y291 I300 L390 V392 V427 I428 I429	W241-M298 HydrophobicContact CH2-CB 3.85Å; W241-M298 HydrophobicContact CH2-CE 3.88Å; W241-M298 HydrophobicContact CH2-CG 4.39Å; W241-M298 HydrophobicContact CH2-SD 3.7Å; W241-M298 HydrophobicContact CZ2-SD 4.42Å; W241-M298 HydrophobicContact CZ3-CB 3.94Å; E288-M298 CarbonylContact C-O 3.56Å; E288-M298 WeakPolarHBondContact CA-O 3.49Å; M289-M298 PolarHBondContact N-O 3.42Å; M289-M298 PolarHBondContact O-N 2.91Å; Y291-M298 HydrophobicContact CE2-CB 3.96Å; Y291-M298 WeakPolarHBondContact OH-CE 3.41Å; M298-I300 HydrophobicContact CG-CG1 4.25Å; M298-I300 HydrophobicContact SD-CD1 4.4Å; M298-I300 HydrophobicContact SD-CG1 4.26Å; M298-L390 HydrophobicContact CE-CD2 4.21Å; M298-V392 HydrophobicContact CE-CG2 3.64Å; M298-V427 HydrophobicContact CE-CG1 3.86Å; M298-V427 HydrophobicContact CG-CG1 3.77Å; M298-V427 HydrophobicContact SD-CG1 3.83Å; M298-I428 CarbonylContact C-O 3.55Å; M298-I428 WeakPolarHBondContact CA-O 3.34Å; M298-I429 HydrophobicContact CE-CD1 4.07Å; M298-I429 HydrophobicContact CE-CG1 4.16Å; M298-I429 HydrophobicContact CG-CG1 4.5Å
299	V	98.1	Very high	92.8	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.4	171	-177.2	0	0	0	0	107.9	L287 E288 I301 L325 I428 R430	L287-V299 CarbonylContact O-C 3.19Å; L287-V299 VanDerWaalsContact O-CA 3.31Å; L287-V299 WeakPolarHBondContact O-CA 3.43Å; E288-V299 HydrophobicContact CB-CG2 4.22Å; E288-V299 HydrophobicContact CG-CG2 4.31Å; V299-I301 HydrophobicContact CG1-CG1 4.38Å; V299-L325 HydrophobicContact CG1-CD2 4.08Å; V299-L325 HydrophobicContact CG2-CD2 3.94Å; V299-I428 HydrophobicContact CB-CB 4.35Å; V299-I428 PolarHBondContact N-O 3Å; V299-I428 PolarHBondContact O-N 2.76Å; V299-R430 HydrophobicContact CG2-CG 4.49Å
300	I	98.5	Very high	92.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	124.4	172.9	-52.9	-179.8	0	0	0	107.9	L287 M289 M298 V337 F419 F425 L426	L287-I300 PolarHBondContact N-O 3.23Å; L287-I300 PolarHBondContact O-N 2.96Å; M289-I300 HydrophobicContact SD-CD1 4.41Å; M298-I300 HydrophobicContact CG-CG1 4.25Å; M298-I300 HydrophobicContact SD-CD1 4.4Å; M298-I300 HydrophobicContact SD-CG1 4.26Å; I300-V337 HydrophobicContact CD1-CG1 3.91Å; I300-V337 HydrophobicContact CD1-CG2 3.88Å; I300-F419 HydrophobicContact CB-CE1 4.2Å; I300-F419 HydrophobicContact CB-CZ 3.78Å; I300-F419 HydrophobicContact CD1-CE1 4.37Å; I300-F419 HydrophobicContact CG2-CE1 3.96Å; I300-F419 HydrophobicContact CG2-CZ 3.57Å; I300-F425 HydrophobicContact CG2-CB 4.01Å; I300-F425 HydrophobicContact CG2-CD2 3.55Å; I300-F425 HydrophobicContact CG2-CE2 4.2Å; I300-F425 HydrophobicContact CG2-CG 3.9Å; I300-L426 WeakPolarHBondContact CA-O 3.5Å
301	I	98.4	Very high	92.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	107.6	173.4	-45.1	-179	0	0	0	106.9	V284 L286 V299 V312 L316 L321 W324 F425 L426 I428	V284-I301 HydrophobicContact CB-CG2 4.24Å; V284-I301 HydrophobicContact CG1-CG2 4.35Å; L286-I301 HydrophobicContact CD2-CB 4.05Å; L286-I301 HydrophobicContact CD2-CD1 4.27Å; L286-I301 HydrophobicContact CD2-CG1 3.64Å; L286-I301 HydrophobicContact CD2-CG2 3.83Å; V299-I301 HydrophobicContact CG1-CG1 4.38Å; I301-V312 HydrophobicContact CG2-CG1 4.12Å; I301-L316 HydrophobicContact CD1-CD2 4.36Å; I301-L321 HydrophobicContact CD1-CD1 4.2Å; I301-W324 HydrophobicContact CD1-CE3 4.42Å; I301-W324 HydrophobicContact CD1-CZ3 4.27Å; I301-W324 HydrophobicContact CG2-CZ3 3.97Å; I301-F425 WeakPolarHBondContact O-CB 3.44Å; I301-L426 HydrophobicContact CB-CB 4.11Å; I301-L426 HydrophobicContact CD1-CD1 4.46Å; I301-L426 HydrophobicContact CG1-CB 4.45Å; I301-L426 PolarHBondContact N-O 3.23Å; I301-L426 PolarHBondContact O-N 2.9Å; I301-I428 HydrophobicContact CD1-CD1 3.97Å
302	L	98.3	Very high	92.5	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	116.7	-176.8	-178.6	70.8	0	0	0	108.7	V284 Q285 F419 L420 A421 H423 F425	V284-L302 CarbonylContact C-O 3.55Å; V284-L302 WeakPolarHBondContact CA-O 3.44Å; Q285-L302 PolarHBondContact N-O 3.1Å; Q285-L302 PolarHBondContact O-N 3.27Å; L302-F419 HydrophobicContact CB-CE2 3.77Å; L302-F419 HydrophobicContact CB-CZ 3.63Å; L302-F419 HydrophobicContact CD2-CD2 4.43Å; L302-F419 HydrophobicContact CD2-CE1 4.28Å; L302-F419 HydrophobicContact CD2-CE2 4.09Å; L302-F419 HydrophobicContact CD2-CZ 4.01Å; L302-F419 HydrophobicContact CG-CZ 4.44Å; L302-L420 VanDerWaalsContact CD2-O 3.22Å; L302-L420 WeakPolarHBondContact CD2-O 3.49Å; L302-A421 HydrophobicContact CD1-CB 4.27Å; L302-H423 VanDerWaalsContact CD1-CE1 3.5Å; L302-H423 WeakPolarHBondContact CD1-CE1 3.32Å; L302-F425 HydrophobicContact CD1-CB 3.87Å
303	P	97.3	Very high	92.8	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.013	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	154.7	172.5	28.8	-33.4	0	0	0	110.9	K283 H307 L309 V312 H423 P424	K283-P303 CarbonylContact O-C 3.58Å; P303-H307 HydrophobicContact CB-CB 4.48Å; P303-H307 WeakPolarHBondContact CB-O 3.42Å; P303-L309 HydrophobicContact CG-CB 4.35Å; P303-L309 HydrophobicContact CG-CD1 4.11Å; P303-V312 HydrophobicContact CB-CG2 4.2Å; P303-H423 PolarHBondContact O-CE1 2.93Å; P303-H423 PolarHBondContact O-NE2 3.34Å; P303-P424 WeakPolarHBondContact CD-O 3.34Å
304	N	95.1	Very high	93.2	Very high	42 Å²	42	39.6 Å²	39.6	23%	0.225	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-72.8	150.2	173.5	-69.8	-0.1	0	0	0	109.5	K283 G306 H307	K283-N304 VanDerWaalsContact C-CG 3.5Å; K283-N304 HydrophobicContact CB-CB 4.34Å; K283-N304 WeakPolarHBondContact O-CB 3.37Å; K283-N304 PolarHBondContact O-N 3.5Å; K283-N304 PolarHBondContact O-OD1 3.4Å; N304-G306 PolarHBondContact O-N 2.9Å; N304-H307 WeakPolarHBondContact O-CB 3.44Å; N304-H307 PolarHBondContact O-CD2 3.2Å; N304-H307 PolarHBondContact O-N 3.44Å
305	K	89.8	Confident	93.3	Very high	137 Å²	137	40.5 Å²	40.5	60%	0.596	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	135.1	177.9	-65.9	-165.6	175.2	-163.3	0	111.8	H307 D422	K305-H307 VanDerWaalsContact C-N 3.34Å; K305-D422 WeakPolarHBondContact CE-OD2 3.45Å; K305-D422 IonicContact NZ-OD1 3.47Å; K305-D422 IonicContact NZ-OD2 3.27Å; K305-D422 PolarHBondContact NZ-OD2 3.22Å
306	G	87.4	Confident	93.7	Very high	81 Å²	81	38.1 Å²	38.1	84%	0.835	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.2	3.3	-175.4	0	0	0	0	0	115.2	N304	N304-G306 PolarHBondContact O-N 2.9Å
307	H	91.2	Very high	93.7	Very high	57 Å²	57	40.8 Å²	40.8	26%	0.264	23%	0.228	S	C	.	.	S	Bend	trans	-113.7	120.3	172.7	-63	-81	0	0	0	109.4	K283 P303 N304 K305	K283-H307 HydrophobicContact CB-CB 4.44Å; P303-H307 HydrophobicContact CB-CB 4.48Å; P303-H307 WeakPolarHBondContact CB-O 3.42Å; N304-H307 WeakPolarHBondContact O-CB 3.44Å; N304-H307 PolarHBondContact O-CD2 3.2Å; N304-H307 PolarHBondContact O-N 3.44Å; K305-H307 VanDerWaalsContact C-N 3.34Å
308	P	91	Very high	93.5	Very high	57 Å²	57	42.4 Å²	42.4	37%	0.37	24%	0.235	S	C	.	.			trans	-73.6	141.9	-177.5	29.9	-34.7	0	0	0	111	S310 Q311	P308-S310 PolarHBondContact O-N 3.12Å; P308-S310 VanDerWaalsContact O-N 3.14Å; P308-Q311 HydrophobicContact CG-CB 4.5Å; P308-Q311 HydrophobicContact CG-CG 3.85Å; P308-Q311 PolarHBondContact O-N 3.11Å; P308-Q311 VanDerWaalsContact O-N 3.09Å
309	L	94.3	Very high	93.2	Very high	14 Å²	14	48.1 Å²	48.1	7%	0.073	27%	0.266	C	S	.	.	H	α-helix	trans	-56	-32.6	178	-173.7	61.1	0	0	0	112.8	P303 Q311 V312 E313 P424 L426 R442	P303-L309 HydrophobicContact CG-CB 4.35Å; P303-L309 HydrophobicContact CG-CD1 4.11Å; L309-Q311 PolarHBondContact O-N 3.44Å; L309-V312 HydrophobicContact CD1-CB 4.31Å; L309-V312 WeakPolarHBondContact O-CA 3.47Å; L309-V312 VanDerWaalsContact O-CB 3.31Å; L309-V312 WeakPolarHBondContact O-CB 3.41Å; L309-V312 PolarHBondContact O-N 3.19Å; L309-E313 HydrophobicContact CG-CG 4.23Å; L309-E313 WeakPolarHBondContact O-CG 3.32Å; L309-E313 PolarHBondContact O-N 3.23Å; L309-P424 HydrophobicContact CB-CB 4.45Å; L309-P424 HydrophobicContact CD2-CB 4.05Å; L309-L426 HydrophobicContact CD1-CD1 4.24Å; L309-L426 HydrophobicContact CD1-CD2 4.21Å; L309-L426 HydrophobicContact CD1-CG 3.65Å; L309-L426 HydrophobicContact CD2-CD2 3.99Å; L309-L426 HydrophobicContact CD2-CG 4.27Å; L309-L426 HydrophobicContact CG-CD2 4.26Å; L309-L426 HydrophobicContact CG-CG 4.25Å; L309-R442 HydrophobicContact CD2-CB 4.43Å; L309-R442 HydrophobicContact CD2-CG 3.65Å
310	S	92.6	Very high	93	Very high	39 Å²	39	50.3 Å²	50.3	27%	0.273	28%	0.275	S	S	.	.	H	α-helix	trans	-57.2	-31.3	178.2	57.9	0	0	0	0	114	P308 E313 Q314	P308-S310 PolarHBondContact O-N 3.12Å; P308-S310 VanDerWaalsContact O-N 3.14Å; S310-E313 WeakPolarHBondContact CA-OE2 3.26Å; S310-E313 PolarHBondContact O-N 3.46Å; S310-Q314 VanDerWaalsContact O-CG 3.26Å; S310-Q314 WeakPolarHBondContact O-CG 3.42Å; S310-Q314 PolarHBondContact O-N 3.45Å
311	Q	91.8	Very high	92.8	Very high	100 Å²	100	50.8 Å²	50.8	47%	0.467	28%	0.278	S	S	.	.	H	α-helix	trans	-70.3	-34.3	174.8	-73.7	174.9	12.8	0	0	112.1	P308 L309 N315	P308-Q311 HydrophobicContact CG-CB 4.5Å; P308-Q311 HydrophobicContact CG-CG 3.85Å; P308-Q311 PolarHBondContact O-N 3.11Å; P308-Q311 VanDerWaalsContact O-N 3.09Å; L309-Q311 PolarHBondContact O-N 3.44Å; Q311-N315 PolarHBondContact O-ND2 2.98Å
312	V	93.8	Very high	92.6	Very high	13 Å²	13	54.9 Å²	54.9	8%	0.079	30%	0.295	C	S	.	.	H	α-helix	trans	-67.8	-47.6	173.4	-178.5	0	0	0	0	109.3	V284 I301 P303 L309 Q314 N315 L316 W324 L426	V284-V312 HydrophobicContact CG1-CG1 4.28Å; V284-V312 HydrophobicContact CG1-CG2 3.58Å; I301-V312 HydrophobicContact CG2-CG1 4.12Å; P303-V312 HydrophobicContact CB-CG2 4.2Å; L309-V312 HydrophobicContact CD1-CB 4.31Å; L309-V312 WeakPolarHBondContact O-CA 3.47Å; L309-V312 VanDerWaalsContact O-CB 3.31Å; L309-V312 WeakPolarHBondContact O-CB 3.41Å; L309-V312 PolarHBondContact O-N 3.19Å; V312-Q314 PolarHBondContact O-N 2.96Å; V312-N315 PolarHBondContact O-N 2.81Å; V312-L316 WeakPolarHBondContact O-CB 3.36Å; V312-L316 PolarHBondContact O-N 3.48Å; V312-W324 HydrophobicContact CG1-CH2 4.07Å; V312-W324 HydrophobicContact CG1-CZ3 4.24Å; V312-L426 HydrophobicContact CG1-CD1 4.15Å
313	E	94.3	Very high	92.4	Very high	14 Å²	14	57.4 Å²	57.4	7%	0.065	31%	0.314	C	S	.	.	H	α-helix	trans	-58.4	-44.7	-179.4	-64.8	174.5	152.3	0	0	112.8	Y79 K80 L309 S310 N315 L426 R442	Y79-E313 HydrophobicContact CE1-CB 4.39Å; Y79-E313 HydrophobicContact CE1-CG 3.99Å; Y79-E313 PolarHBondContact OH-OE1 2.94Å; K80-E313 WeakPolarHBondContact CE-O 3.41Å; L309-E313 HydrophobicContact CG-CG 4.23Å; L309-E313 WeakPolarHBondContact O-CG 3.32Å; L309-E313 PolarHBondContact O-N 3.23Å; S310-E313 WeakPolarHBondContact CA-OE2 3.26Å; S310-E313 PolarHBondContact O-N 3.46Å; E313-N315 VanDerWaalsContact C-N 3.34Å; E313-N315 PolarHBondContact O-N 3.44Å; E313-L426 HydrophobicContact CG-CD1 4.32Å; E313-L426 HydrophobicContact CG-CD2 4.07Å; E313-R442 WeakPolarHBondContact OE1-CD 3.39Å; E313-R442 IonicContact OE1-CZ 3.81Å; E313-R442 IonicContact OE1-NE 3.96Å; E313-R442 IonicContact OE1-NH1 3.17Å; E313-R442 PolarHBondContact OE1-NH1 2.8Å; E313-R442 IonicContact OE2-NH1 2.87Å; E313-R442 PolarHBondContact OE2-NH1 3.08Å
314	Q	91.1	Very high	92.3	Very high	121 Å²	121	57.7 Å²	57.7	57%	0.565	31%	0.314	S	S	*	.	H	α-helix	trans	-62.7	-40.9	-179.2	-75	172.4	9.1	0	0	112.2	K80 S310 V312	K80-Q314 WeakPolarHBondContact CE-O 3.38Å; K80-Q314 PolarHBondContact NZ-O 3.15Å; S310-Q314 VanDerWaalsContact O-CG 3.26Å; S310-Q314 WeakPolarHBondContact O-CG 3.42Å; S310-Q314 PolarHBondContact O-N 3.45Å; V312-Q314 PolarHBondContact O-N 2.96Å
315	N	88.4	Confident	92.3	Very high	94 Å²	94	56.8 Å²	56.8	50%	0.503	31%	0.309	S	S	.	.	H	α-helix	trans	-93.7	-3.8	-173.5	-64.1	-46.7	0	0	0	113.9	Q311 V312 E313 D317 K320	Q311-N315 PolarHBondContact O-ND2 2.98Å; V312-N315 PolarHBondContact O-N 2.81Å; E313-N315 VanDerWaalsContact C-N 3.34Å; E313-N315 PolarHBondContact O-N 3.44Å; N315-D317 PolarHBondContact O-N 3.43Å; N315-K320 VanDerWaalsContact O-CD 3.31Å; N315-K320 WeakPolarHBondContact O-CD 3.26Å
316	L	92.4	Very high	92.5	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.026	30%	0.302	C	S	.	.			trans	-76.7	120.1	-179.8	-170.6	64	0	0	0	110.6	L76 K80 I301 V312 L321 W324 L426	L76-L316 HydrophobicContact CD2-CD2 4.07Å; L76-L316 HydrophobicContact CD2-CG 4.31Å; K80-L316 WeakPolarHBondContact CE-O 3.35Å; K80-L316 PolarHBondContact NZ-O 2.96Å; I301-L316 HydrophobicContact CD1-CD2 4.36Å; V312-L316 WeakPolarHBondContact O-CB 3.36Å; V312-L316 PolarHBondContact O-N 3.48Å; L316-L321 HydrophobicContact CD1-CB 4.06Å; L316-L321 HydrophobicContact CD1-CD1 4.46Å; L316-W324 HydrophobicContact CD1-CE3 4.07Å; L316-W324 HydrophobicContact CD1-CH2 4.33Å; L316-W324 HydrophobicContact CD1-CZ3 3.72Å; L316-L426 HydrophobicContact CD2-CD1 4.05Å
317	D	91.4	Very high	93	Very high	71 Å²	71	54 Å²	54	38%	0.38	28%	0.279	S	S	.	.			trans	-130.9	177.1	170	69.9	41.5	0	0	0	110.7	N315 N319 K320 L321	N315-D317 PolarHBondContact O-N 3.43Å; D317-N319 VanDerWaalsContact C-N 3.34Å; D317-N319 PolarHBondContact O-N 2.99Å; D317-N319 WeakPolarHBondContact OD1-CA 3.15Å; D317-N319 WeakPolarHBondContact OD1-CB 3.26Å; D317-N319 PolarHBondContact OD1-N 3.13Å; D317-K320 PolarHBondContact O-N 2.61Å; D317-K320 WeakPolarHBondContact OD1-CB 3.37Å; D317-K320 PolarHBondContact OD1-N 2.99Å; D317-L321 VanDerWaalsContact O-CB 3.29Å; D317-L321 WeakPolarHBondContact O-CB 3.38Å; D317-L321 PolarHBondContact O-N 3.02Å
318	Q	90.1	Very high	93.2	Very high	40 Å²	40	51.7 Å²	51.7	19%	0.187	27%	0.269	C	S	.	.	H	α-helix	trans	-64.4	-38.2	-175.4	-178.8	174.2	53.4	0	0	112.5	K69 R73 L76 K322	K69-Q318 PolarHBondContact O-NE2 3.31Å; R73-Q318 HydrophobicContact CG-CB 4.48Å; R73-Q318 VanDerWaalsContact NE-OE1 3.09Å; L76-Q318 HydrophobicContact CD1-CB 4.22Å; L76-Q318 VanDerWaalsContact CD1-N 3.3Å; Q318-K322 VanDerWaalsContact O-CB 3.28Å; Q318-K322 WeakPolarHBondContact O-CB 3.21Å; Q318-K322 PolarHBondContact O-N 2.96Å
319	N	91.6	Very high	93.4	Very high	120 Å²	120	56.5 Å²	56.5	64%	0.642	28%	0.28	S	S	*	.	H	α-helix	trans	-71.8	-42.5	-177.8	-70.1	-22	0	0	0	110.5	D317 K322 S323	D317-N319 VanDerWaalsContact C-N 3.34Å; D317-N319 PolarHBondContact O-N 2.99Å; D317-N319 WeakPolarHBondContact OD1-CA 3.15Å; D317-N319 WeakPolarHBondContact OD1-CB 3.26Å; D317-N319 PolarHBondContact OD1-N 3.13Å; N319-K322 PolarHBondContact O-N 3.07Å; N319-S323 WeakPolarHBondContact O-CB 3.28Å; N319-S323 PolarHBondContact O-N 3.16Å
320	K	93.8	Very high	93.5	Very high	47 Å²	47	62.1 Å²	62.1	20%	0.204	31%	0.305	C	S	.	.	H	α-helix	trans	-62.9	-49.6	175.4	-164.1	172.7	-164	-175.1	0	111.2	E282 N315 D317 K322 S323 W324	E282-K320 VanDerWaalsContact CD-NZ 3.35Å; E282-K320 WeakPolarHBondContact OE1-CE 3.32Å; E282-K320 IonicContact OE1-NZ 3.66Å; E282-K320 PolarHBondContact OE1-NZ 3.31Å; E282-K320 WeakPolarHBondContact OE2-CE 3.37Å; E282-K320 IonicContact OE2-NZ 3.35Å; E282-K320 PolarHBondContact OE2-NZ 3.47Å; N315-K320 VanDerWaalsContact O-CD 3.31Å; N315-K320 WeakPolarHBondContact O-CD 3.26Å; D317-K320 PolarHBondContact O-N 2.61Å; D317-K320 WeakPolarHBondContact OD1-CB 3.37Å; D317-K320 PolarHBondContact OD1-N 2.99Å; K320-K322 VanDerWaalsContact C-N 3.31Å; K320-K322 PolarHBondContact O-N 3.32Å; K320-S323 PolarHBondContact O-N 2.75Å; K320-W324 HydrophobicContact CD-CZ2 3.94Å; K320-W324 HydrophobicContact CG-CD2 4.33Å; K320-W324 HydrophobicContact CG-CZ2 4.03Å; K320-W324 WeakPolarHBondContact O-CB 3.4Å; K320-W324 VanDerWaalsContact O-CD1 3.32Å; K320-W324 PolarHBondContact O-N 2.99Å
321	L	94.8	Very high	93.5	Very high	10 Å²	10	62.2 Å²	62.2	5%	0.052	30%	0.304	C	S	.	.	H	α-helix	trans	-58.2	-43.8	176	179.3	60.8	0	0	0	111.4	L76 I301 L316 D317 W324 L325 I428 L437	L76-L321 HydrophobicContact CD1-CD2 4.49Å; I301-L321 HydrophobicContact CD1-CD1 4.2Å; L316-L321 HydrophobicContact CD1-CB 4.06Å; L316-L321 HydrophobicContact CD1-CD1 4.46Å; D317-L321 VanDerWaalsContact O-CB 3.29Å; D317-L321 WeakPolarHBondContact O-CB 3.38Å; D317-L321 PolarHBondContact O-N 3.02Å; L321-W324 WeakPolarHBondContact O-CB 3.37Å; L321-W324 PolarHBondContact O-N 2.87Å; L321-L325 HydrophobicContact CD1-CD1 4.24Å; L321-L325 HydrophobicContact CD1-CG 4.27Å; L321-L325 HydrophobicContact CG-CD1 4.12Å; L321-L325 VanDerWaalsContact O-CG 3.25Å; L321-L325 WeakPolarHBondContact O-CG 3.22Å; L321-L325 PolarHBondContact O-N 3.5Å; L321-I428 HydrophobicContact CD1-CD1 3.88Å; L321-I428 HydrophobicContact CD2-CD1 3.87Å; L321-L437 HydrophobicContact CD2-CD1 4.29Å; L321-L437 HydrophobicContact CD2-CD2 4.22Å
322	K	93.3	Very high	93.6	Very high	86 Å²	86	59.1 Å²	59.1	37%	0.374	29%	0.294	S	S	.	.	H	α-helix	trans	-61.5	-49.2	176.3	-175.6	-171.9	177.7	-60.2	0	111.6	Q318 N319 K320 W324 L325 D326	Q318-K322 VanDerWaalsContact O-CB 3.28Å; Q318-K322 WeakPolarHBondContact O-CB 3.21Å; Q318-K322 PolarHBondContact O-N 2.96Å; N319-K322 PolarHBondContact O-N 3.07Å; K320-K322 VanDerWaalsContact C-N 3.31Å; K320-K322 PolarHBondContact O-N 3.32Å; K322-W324 VanDerWaalsContact C-N 3.26Å; K322-W324 PolarHBondContact O-N 2.8Å; K322-L325 PolarHBondContact O-N 2.95Å; K322-D326 IonicContact NZ-OD1 3.83Å; K322-D326 IonicContact NZ-OD2 2.81Å; K322-D326 PolarHBondContact NZ-OD2 2.75Å; K322-D326 WeakPolarHBondContact O-CB 3.2Å; K322-D326 VanDerWaalsContact O-CG 3.26Å; K322-D326 PolarHBondContact O-N 3.05Å
323	S	95	Very high	93.6	Very high	56 Å²	56	58.5 Å²	58.5	39%	0.392	29%	0.29	S	S	.	.	H	α-helix	trans	-56.8	-41.7	178.2	176.7	0	0	0	0	111.9	N319 K320 Q327	N319-S323 WeakPolarHBondContact O-CB 3.28Å; N319-S323 PolarHBondContact O-N 3.16Å; K320-S323 PolarHBondContact O-N 2.75Å; S323-Q327 VanDerWaalsContact O-CG 3.29Å; S323-Q327 WeakPolarHBondContact O-CG 3.32Å; S323-Q327 PolarHBondContact O-N 2.83Å; S323-Q327 PolarHBondContact O-NE2 3.1Å; S323-Q327 PolarHBondContact OG-NE2 2.96Å
324	W	95.9	Very high	93.7	Very high	7 Å²	7	58 Å²	58	3%	0.027	29%	0.288	C	S	.	.	H	α-helix	trans	-61.8	-50.1	175.9	-76.9	9.3	0	0	0	112.3	L279 E282 V284 L286 I301 V312 L316 K320 L321 K322 D326 Q327	L279-W324 HydrophobicContact CD1-CB 4.06Å; L279-W324 HydrophobicContact CD1-CD2 3.73Å; L279-W324 HydrophobicContact CD1-CG 3.44Å; L279-W324 VanDerWaalsContact CD1-CG 3.44Å; E282-W324 HydrophobicContact CB-CZ2 3.87Å; E282-W324 HydrophobicContact CG-CZ2 3.85Å; V284-W324 HydrophobicContact CG1-CH2 4.41Å; V284-W324 HydrophobicContact CG2-CH2 3.95Å; V284-W324 HydrophobicContact CG2-CZ2 4.11Å; V284-W324 HydrophobicContact CG2-CZ3 4.2Å; L286-W324 HydrophobicContact CD1-CB 3.62Å; L286-W324 HydrophobicContact CD1-CD2 4.49Å; L286-W324 HydrophobicContact CD1-CG 4.17Å; L286-W324 HydrophobicContact CD2-CE3 4.17Å; I301-W324 HydrophobicContact CD1-CE3 4.42Å; I301-W324 HydrophobicContact CD1-CZ3 4.27Å; I301-W324 HydrophobicContact CG2-CZ3 3.97Å; V312-W324 HydrophobicContact CG1-CH2 4.07Å; V312-W324 HydrophobicContact CG1-CZ3 4.24Å; L316-W324 HydrophobicContact CD1-CE3 4.07Å; L316-W324 HydrophobicContact CD1-CH2 4.33Å; L316-W324 HydrophobicContact CD1-CZ3 3.72Å; K320-W324 HydrophobicContact CD-CZ2 3.94Å; K320-W324 HydrophobicContact CG-CD2 4.33Å; K320-W324 HydrophobicContact CG-CZ2 4.03Å; K320-W324 WeakPolarHBondContact O-CB 3.4Å; K320-W324 VanDerWaalsContact O-CD1 3.32Å; K320-W324 PolarHBondContact O-N 2.99Å; L321-W324 WeakPolarHBondContact O-CB 3.37Å; L321-W324 PolarHBondContact O-N 2.87Å; K322-W324 VanDerWaalsContact C-N 3.26Å; K322-W324 PolarHBondContact O-N 2.8Å; W324-D326 PolarHBondContact O-N 2.9Å; W324-Q327 PolarHBondContact O-N 2.53Å
325	L	94.9	Very high	93.9	Very high	24 Å²	24	52.2 Å²	52.2	13%	0.126	26%	0.261	C	S	.	.	H	α-helix	trans	-62	-40.6	178.1	-67.1	172.5	0	0	0	112.1	V299 L321 K322 Q327 M328	V299-L325 HydrophobicContact CG1-CD2 4.08Å; V299-L325 HydrophobicContact CG2-CD2 3.94Å; L321-L325 HydrophobicContact CD1-CD1 4.24Å; L321-L325 HydrophobicContact CD1-CG 4.27Å; L321-L325 HydrophobicContact CG-CD1 4.12Å; L321-L325 VanDerWaalsContact O-CG 3.25Å; L321-L325 WeakPolarHBondContact O-CG 3.22Å; L321-L325 PolarHBondContact O-N 3.5Å; K322-L325 PolarHBondContact O-N 2.95Å; L325-Q327 PolarHBondContact O-N 3.18Å; L325-M328 HydrophobicContact CD2-SD 3.9Å; L325-M328 WeakPolarHBondContact O-CB 3.43Å; L325-M328 PolarHBondContact O-N 3.44Å
326	D	94.6	Very high	94.3	Very high	83 Å²	83	49.1 Å²	49.1	44%	0.444	25%	0.246	S	C	.	.	H	α-helix	trans	-66.4	-21.4	-179.4	-71.2	-20.4	0	0	0	113.4	K322 W324 R329	K322-D326 IonicContact NZ-OD1 3.83Å; K322-D326 IonicContact NZ-OD2 2.81Å; K322-D326 PolarHBondContact NZ-OD2 2.75Å; K322-D326 WeakPolarHBondContact O-CB 3.2Å; K322-D326 VanDerWaalsContact O-CG 3.26Å; K322-D326 PolarHBondContact O-N 3.05Å; W324-D326 PolarHBondContact O-N 2.9Å; D326-R329 PolarHBondContact O-NH1 3.13Å
327	Q	96.3	Very high	94.6	Very high	76 Å²	76	49 Å²	49	36%	0.355	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-12.9	178.5	-72.8	178.4	64.5	0	0	113.7	K277 S323 W324 L325	K277-Q327 HydrophobicContact CG-CB 4.42Å; S323-Q327 VanDerWaalsContact O-CG 3.29Å; S323-Q327 WeakPolarHBondContact O-CG 3.32Å; S323-Q327 PolarHBondContact O-N 2.83Å; S323-Q327 PolarHBondContact O-NE2 3.1Å; S323-Q327 PolarHBondContact OG-NE2 2.96Å; W324-Q327 PolarHBondContact O-N 2.53Å; L325-Q327 PolarHBondContact O-N 3.18Å
328	M	96	Very high	94.8	Very high	9 Å²	9	45.6 Å²	45.6	4%	0.044	23%	0.227	C	C	.	.			trans	-67.8	143.4	179.8	-65.6	175.2	53	0	0	111.3	N275 K277 L286 E288 L325	N275-M328 VanDerWaalsContact C-CE 3.46Å; N275-M328 HydrophobicContact CB-CB 4.31Å; N275-M328 HydrophobicContact CB-CE 3.69Å; N275-M328 WeakPolarHBondContact O-CE 3.44Å; K277-M328 HydrophobicContact CB-CG 3.91Å; L286-M328 HydrophobicContact CB-CE 4.46Å; L286-M328 HydrophobicContact CB-CG 4.29Å; L286-M328 HydrophobicContact CB-SD 3.85Å; L286-M328 HydrophobicContact CD1-CG 4.31Å; L286-M328 HydrophobicContact CD1-SD 4.23Å; E288-M328 HydrophobicContact CB-CE 3.23Å; E288-M328 HydrophobicContact CG-CE 4.49Å; L325-M328 HydrophobicContact CD2-SD 3.9Å; L325-M328 WeakPolarHBondContact O-CB 3.43Å; L325-M328 PolarHBondContact O-N 3.44Å
329	R	96	Very high	94.9	Very high	157 Å²	157	47.4 Å²	47.4	59%	0.592	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137.1	149.1	179.2	-61.9	-67.6	178.8	-97.7	-0.3	109.5	N275 Y276 D326 T331	N275-R329 WeakPolarHBondContact CA-O 3.46Å; Y276-R329 PolarHBondContact N-O 3.01Å; Y276-R329 PolarHBondContact O-N 2.87Å; D326-R329 PolarHBondContact O-NH1 3.13Å; R329-T331 PolarHBondContact O-N 2.97Å; R329-T331 VanDerWaalsContact O-N 3.09Å; R329-T331 PolarHBondContact O-OG1 2.77Å
330	E	95.4	Very high	94.9	Very high	132 Å²	132	41.8 Å²	41.8	62%	0.617	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.4	114.8	174	-171.7	-176.7	-104.2	0	0	109.6	K273 F274 N275	K273-E330 HydrophobicContact CB-CG 3.8Å; K273-E330 HydrophobicContact CD-CG 4.15Å; K273-E330 WeakPolarHBondContact CD-OE2 3.46Å; K273-E330 HydrophobicContact CG-CG 4.46Å; K273-E330 IonicContact NZ-OE2 2.74Å; F274-E330 CarbonylContact O-C 3.55Å; F274-E330 WeakPolarHBondContact O-CA 3.37Å; N275-E330 PolarHBondContact OD1-N 2.97Å
331	T	93.8	Very high	94.7	Very high	41 Å²	41	44.5 Å²	44.5	25%	0.252	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	146.3	-173.9	-51.3	0	0	0	0	109	K273 F274 Y276 R329 V333 E417	K273-T331 VanDerWaalsContact CA-O 3.28Å; K273-T331 WeakPolarHBondContact CA-O 3.45Å; F274-T331 PolarHBondContact N-O 3.01Å; F274-T331 PolarHBondContact O-N 3.48Å; Y276-T331 HydrophobicContact CD1-CG2 4.27Å; R329-T331 PolarHBondContact O-N 2.97Å; R329-T331 VanDerWaalsContact O-N 3.09Å; R329-T331 PolarHBondContact O-OG1 2.77Å; T331-V333 HydrophobicContact CG2-CG2 4.41Å; T331-V333 WeakPolarHBondContact O-CG2 3.48Å; T331-V333 PolarHBondContact O-N 2.7Å; T331-E417 HydrophobicContact CG2-CB 4.44Å; T331-E417 HydrophobicContact CG2-CG 3.86Å
332	S	92.9	Very high	94.4	Very high	36 Å²	36	44.2 Å²	44.2	25%	0.252	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	115	172.1	-166.1	0	0	0	0	109.3	E417	S332-E417 PolarHBondContact O-N 3.34Å
333	V	94.4	Very high	94.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135.6	-174.4	-168.8	0	0	0	0	110.2	T272 Y276 T331 V335 E417 F419	T272-V333 PolarHBondContact N-O 2.74Å; T272-V333 PolarHBondContact O-N 2.95Å; Y276-V333 HydrophobicContact CD1-CG2 4.15Å; Y276-V333 HydrophobicContact CD2-CG1 4.33Å; Y276-V333 HydrophobicContact CD2-CG2 4.11Å; Y276-V333 HydrophobicContact CG-CG2 3.7Å; T331-V333 HydrophobicContact CG2-CG2 4.41Å; T331-V333 WeakPolarHBondContact O-CG2 3.48Å; T331-V333 PolarHBondContact O-N 2.7Å; V333-V335 HydrophobicContact CB-CG2 4.02Å; V333-V335 HydrophobicContact CG1-CG2 3.78Å; V333-E417 CarbonylContact C-O 3.49Å; V333-E417 WeakPolarHBondContact CA-O 3.41Å; V333-E417 HydrophobicContact CG1-CB 4.37Å; V333-E417 HydrophobicContact CG2-CB 4.25Å; V333-F419 HydrophobicContact CG1-CB 3.8Å
334	S	94.9	Very high	93.9	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	107.6	163.9	-60.4	0	0	0	0	108.5	R416 E417 F419	S334-R416 WeakPolarHBondContact OG-CD 3.45Å; S334-R416 PolarHBondContact OG-NE 3.3Å; S334-E417 PolarHBondContact N-O 3.22Å; S334-F419 PolarHBondContact O-N 3.37Å
335	V	96.7	Very high	93.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	122.9	-172.3	176.3	0	0	0	0	109.7	F245 Y269 Q270 F274 L287 M289 V333 V337	F245-V335 HydrophobicContact CE1-CG1 4.32Å; F245-V335 HydrophobicContact CZ-CG1 4.23Å; Y269-V335 WeakPolarHBondContact CA-O 3.32Å; Q270-V335 HydrophobicContact CG-CB 4.43Å; Q270-V335 PolarHBondContact N-O 3.37Å; Q270-V335 PolarHBondContact O-N 3.41Å; F274-V335 HydrophobicContact CD2-CG2 3.64Å; F274-V335 HydrophobicContact CE2-CB 4.4Å; F274-V335 HydrophobicContact CE2-CG2 3.74Å; L287-V335 HydrophobicContact CD1-CG2 3.94Å; L287-V335 HydrophobicContact CD2-CB 4.3Å; L287-V335 HydrophobicContact CD2-CG1 3.53Å; L287-V335 HydrophobicContact CD2-CG2 3.75Å; M289-V335 HydrophobicContact SD-CG1 4.39Å; V333-V335 HydrophobicContact CB-CG2 4.02Å; V333-V335 HydrophobicContact CG1-CG2 3.78Å; V335-V337 HydrophobicContact CG1-CG2 3.58Å
336	T	97	Very high	93.4	Very high	28 Å²	28	43.5 Å²	43.5	17%	0.172	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	112.6	171	-50.3	0	0	0	0	108.7	M267 M268 F419 L420 A421	M267-T336 HydrophobicContact CB-CG2 3.77Å; M267-T336 HydrophobicContact CG-CG2 4.1Å; M267-T336 HydrophobicContact SD-CG2 4.22Å; M268-T336 VanDerWaalsContact O-CA 3.32Å; M268-T336 WeakPolarHBondContact O-CA 3.22Å; T336-F419 PolarHBondContact N-O 3.19Å; T336-L420 HydrophobicContact CG2-CD1 3.62Å; T336-A421 PolarHBondContact O-N 3.25Å
337	V	96.9	Very high	93.4	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.018	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139	-176.2	175.8	0	0	0	0	108.8	M268 I300 V335 F419 A421	M268-V337 WeakPolarHBondContact CB-O 3.35Å; M268-V337 PolarHBondContact N-O 3.43Å; M268-V337 PolarHBondContact O-N 3.4Å; I300-V337 HydrophobicContact CD1-CG1 3.91Å; I300-V337 HydrophobicContact CD1-CG2 3.88Å; V335-V337 HydrophobicContact CG1-CG2 3.58Å; V337-F419 HydrophobicContact CG2-CD1 4.29Å; V337-F419 HydrophobicContact CG2-CE1 4.21Å; V337-A421 HydrophobicContact CG2-CB 4.35Å
338	P	95.5	Very high	93.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	147.1	179.6	24.9	-33.1	0	0	0	111.9	F255 I265 M267 F340 A421 F425	F255-P338 HydrophobicContact CE2-CG 4.45Å; I265-P338 HydrophobicContact CD1-CB 3.45Å; I265-P338 VanDerWaalsContact CD1-CB 3.45Å; I265-P338 HydrophobicContact CD1-CG 4.31Å; I265-P338 HydrophobicContact CG1-CB 4.48Å; M267-P338 HydrophobicContact CE-CB 4.34Å; M267-P338 VanDerWaalsContact SD-CA 3.54Å; M267-P338 HydrophobicContact SD-CB 3.76Å; M267-P338 HydrophobicContact SD-CG 4.28Å; M267-P338 VanDerWaalsContact SD-N 3.39Å; P338-F340 HydrophobicContact CB-CD1 4.5Å; P338-F340 HydrophobicContact CG-CD1 4.08Å; P338-F340 VanDerWaalsContact O-CD1 3.24Å; P338-F340 WeakPolarHBondContact O-CD1 3.43Å; P338-A421 WeakPolarHBondContact CD-O 3.35Å; P338-F425 HydrophobicContact CG-CE1 3.79Å; P338-F425 HydrophobicContact CG-CZ 3.89Å
339	R	93.2	Very high	93.3	Very high	77 Å²	77	39.7 Å²	39.7	29%	0.291	19%	0.189	S	C	.	.			trans	-68.3	133.7	152.6	-175.2	-172.1	-73.7	169.1	-3.6	106.6	S266 M268 V392 N393 E394 Q449	S266-R339 PolarHBondContact O-N 2.87Å; M268-R339 HydrophobicContact CG-CB 4.42Å; M268-R339 HydrophobicContact SD-CB 4.39Å; R339-V392 WeakPolarHBondContact CA-O 3.14Å; R339-V392 WeakPolarHBondContact CG-O 3.28Å; R339-N393 HydrophobicContact CG-CB 4.23Å; R339-E394 IonicContact CZ-OE1 3.65Å; R339-E394 IonicContact CZ-OE2 2.68Å; R339-E394 IonicContact NE-OE2 3.81Å; R339-E394 PolarHBondContact NE-OE2 3.33Å; R339-E394 VanDerWaalsContact NE-OE2 3.15Å; R339-E394 IonicContact NH2-OE1 3.81Å; R339-E394 PolarHBondContact NH2-OE1 2.82Å; R339-E394 IonicContact NH2-OE2 2.71Å; R339-E394 PolarHBondContact NH2-OE2 3.11Å; R339-Q449 PolarHBondContact O-NE2 3.19Å
340	F	92.2	Very high	93.2	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.009	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	158.7	178.5	63	-95.4	0	0	0	112.1	P338 V342 L390 V392 F425 V427 V443 P446	P338-F340 HydrophobicContact CB-CD1 4.5Å; P338-F340 HydrophobicContact CG-CD1 4.08Å; P338-F340 VanDerWaalsContact O-CD1 3.24Å; P338-F340 WeakPolarHBondContact O-CD1 3.43Å; F340-V342 HydrophobicContact CD2-CG2 3.95Å; F340-V342 HydrophobicContact CE2-CG2 4.39Å; F340-L390 HydrophobicContact CE2-CD2 3.9Å; F340-L390 HydrophobicContact CE2-CG 4.36Å; F340-L390 HydrophobicContact CZ-CD2 4.37Å; F340-V392 HydrophobicContact CD1-CB 4.09Å; F340-V392 HydrophobicContact CD1-CG1 4.45Å; F340-V392 HydrophobicContact CD2-CB 4.38Å; F340-V392 HydrophobicContact CD2-CG2 4.45Å; F340-V392 HydrophobicContact CE1-CB 3.76Å; F340-V392 HydrophobicContact CE1-CG1 3.97Å; F340-V392 HydrophobicContact CE1-CG2 3.94Å; F340-V392 HydrophobicContact CE2-CB 4.09Å; F340-V392 HydrophobicContact CE2-CG2 3.73Å; F340-V392 HydrophobicContact CG-CB 4.4Å; F340-V392 HydrophobicContact CZ-CB 3.77Å; F340-V392 HydrophobicContact CZ-CG1 4.33Å; F340-V392 HydrophobicContact CZ-CG2 3.43Å; F340-V392 VanDerWaalsContact CZ-CG2 3.43Å; F340-V392 PolarHBondContact N-O 3.14Å; F340-V392 VanDerWaalsContact N-O 3.13Å; F340-V392 PolarHBondContact O-N 3.03Å; F340-F425 HydrophobicContact CD1-CZ 4.25Å; F340-F425 HydrophobicContact CE1-CE2 4.15Å; F340-F425 AromaticContact CE1-CZ 3.88Å; F340-F425 HydrophobicContact CE1-CZ 3.88Å; F340-F425 HydrophobicContact CZ-CE2 4.35Å; F340-F425 HydrophobicContact CZ-CZ 4.46Å; F340-V427 HydrophobicContact CZ-CG2 4.31Å; F340-V443 HydrophobicContact CD2-CG1 4.42Å; F340-V443 HydrophobicContact CD2-CG2 4.03Å; F340-V443 HydrophobicContact CE1-CG2 4.38Å; F340-V443 HydrophobicContact CE2-CG2 3.65Å; F340-V443 HydrophobicContact CG-CG1 4.27Å; F340-V443 HydrophobicContact CZ-CG2 3.84Å; F340-P446 HydrophobicContact CB-CB 3.94Å
341	R	90	Very high	93.2	Very high	105 Å²	105	31.8 Å²	31.8	40%	0.396	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.1	169.4	176.1	-177.9	164.8	162.9	6.2	107.8	E343 F389 L390	R341-E343 IonicContact CZ-OE2 3.59Å; R341-E343 IonicContact NE-OE2 3.06Å; R341-E343 IonicContact NH2-OE2 3.91Å; R341-E343 PolarHBondContact NH2-OE2 3.49Å; R341-F389 HydrophobicContact CG-CE2 3.92Å; R341-F389 HydrophobicContact CG-CZ 3.94Å; R341-L390 CarbonylContact C-O 3.58Å; R341-L390 WeakPolarHBondContact CA-O 3.32Å
342	V	88.4	Confident	93.4	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.018	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123	171.7	-179	0	0	0	0	108.5	N91 F93 F340 L390 V443	N91-V342 HydrophobicContact CB-CG1 3.78Å; N91-V342 HydrophobicContact CB-CG2 4.36Å; F93-V342 HydrophobicContact CB-CB 4.43Å; F93-V342 HydrophobicContact CB-CG1 3.6Å; F93-V342 HydrophobicContact CG-CG1 4.38Å; F340-V342 HydrophobicContact CD2-CG2 3.95Å; F340-V342 HydrophobicContact CE2-CG2 4.39Å; V342-L390 PolarHBondContact N-O 3.41Å; V342-L390 PolarHBondContact O-N 3.45Å; V342-V443 HydrophobicContact CG2-CG2 4.21Å
343	E	87.2	Confident	93.5	Very high	78 Å²	78	31 Å²	31	36%	0.364	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	128.5	172.9	-175.2	176	153.9	0	0	107.3	R341 K387 F389	R341-E343 IonicContact CZ-OE2 3.59Å; R341-E343 IonicContact NE-OE2 3.06Å; R341-E343 IonicContact NH2-OE2 3.91Å; R341-E343 PolarHBondContact NH2-OE2 3.49Å; E343-K387 WeakPolarHBondContact OE1-CE 3.32Å; E343-K387 IonicContact OE1-NZ 2.88Å; E343-K387 PolarHBondContact OE1-NZ 3.26Å; E343-F389 HydrophobicContact CB-CD2 3.98Å; E343-F389 HydrophobicContact CB-CE2 4.48Å; E343-F389 HydrophobicContact CG-CD2 4.04Å
344	D	89.3	Confident	93.6	Very high	15 Å²	15	36.7 Å²	36.7	8%	0.08	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	136	-176.2	-165.2	6.1	0	0	0	110.2	R86 I92 F93 K387 A388	R86-D344 IonicContact CZ-OD1 2.76Å; R86-D344 VanDerWaalsContact CZ-OD1 3.27Å; R86-D344 IonicContact CZ-OD2 2.64Å; R86-D344 IonicContact NH1-OD1 3.41Å; R86-D344 PolarHBondContact NH1-OD1 3.32Å; R86-D344 IonicContact NH1-OD2 2.64Å; R86-D344 PolarHBondContact NH1-OD2 2.8Å; R86-D344 IonicContact NH2-OD1 3.84Å; R86-D344 PolarHBondContact NH2-OD1 3.32Å; R86-D344 IonicContact NH2-OD2 3.71Å; R86-D344 PolarHBondContact NH2-OD2 3.12Å; I92-D344 WeakPolarHBondContact CA-OD2 3.41Å; F93-D344 HydrophobicContact CB-CB 4.12Å; F93-D344 PolarHBondContact N-OD2 3.43Å; F93-D344 WeakPolarHBondContact O-CB 3.48Å; D344-K387 VanDerWaalsContact O-CA 3.3Å; D344-K387 WeakPolarHBondContact O-CA 3.33Å; D344-A388 PolarHBondContact N-O 3.42Å; D344-A388 PolarHBondContact O-N 3.2Å
345	S	90.5	Very high	93.7	Very high	45 Å²	45	38.4 Å²	38.4	32%	0.315	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	132.5	-178.8	-172	0	0	0	0	110.5	T217 H386	T217-S345 PolarHBondContact O-OG 3.42Å; S345-H386 VanDerWaalsContact CA-O 3.32Å; S345-H386 WeakPolarHBondContact CA-O 3.33Å
346	F	91	Very high	93.7	Very high	20 Å²	20	40 Å²	40	9%	0.088	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	156.2	-176.1	50.3	-87.9	0	0	0	112.3	M82 M94 L348 H386	M82-F346 HydrophobicContact CE-CB 4.37Å; M82-F346 HydrophobicContact CE-CD1 3.61Å; M82-F346 HydrophobicContact CE-CD2 3.49Å; M82-F346 VanDerWaalsContact CE-CD2 3.49Å; M82-F346 HydrophobicContact CE-CE1 3.61Å; M82-F346 HydrophobicContact CE-CE2 3.46Å; M82-F346 VanDerWaalsContact CE-CE2 3.46Å; M82-F346 HydrophobicContact CE-CG 3.56Å; M82-F346 HydrophobicContact CE-CZ 3.53Å; M82-F346 HydrophobicContact SD-CD2 3.81Å; M82-F346 HydrophobicContact SD-CE2 3.66Å; M82-F346 HydrophobicContact SD-CG 4.45Å; M82-F346 HydrophobicContact SD-CZ 4.2Å; M94-F346 HydrophobicContact CB-CE1 4.28Å; M94-F346 HydrophobicContact CB-CZ 3.79Å; M94-F346 HydrophobicContact SD-CZ 4.45Å; F346-L348 HydrophobicContact CD2-CD2 4.08Å; F346-L348 HydrophobicContact CD2-CG 4.47Å; F346-L348 HydrophobicContact CE2-CD2 3.54Å; F346-L348 HydrophobicContact CE2-CG 4.29Å; F346-H386 HydrophobicContact CD2-CB 4.48Å; F346-H386 AromaticContact CE1-CD2 3.96Å; F346-H386 HydrophobicContact CE2-CB 4.05Å; F346-H386 HydrophobicContact CZ-CB 4.1Å; F346-H386 AromaticContact CZ-CD2 3.62Å; F346-H386 PolarHBondContact N-O 3.06Å; F346-H386 PolarHBondContact O-N 3.24Å
347	S	93.5	Very high	93.8	Very high	34 Å²	34	38.7 Å²	38.7	24%	0.238	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	137.7	163.4	164.5	0	0	0	0	109.8	K349 D383 A384	S347-K349 PolarHBondContact OG-N 2.96Å; S347-D383 WeakPolarHBondContact CB-OD1 3.3Å; S347-D383 PolarHBondContact OG-OD1 3.05Å; S347-D383 PolarHBondContact OG-OD2 2.89Å; S347-A384 CarbonylContact C-O 3.57Å; S347-A384 WeakPolarHBondContact CA-O 3.18Å
348	L	95	Very high	93.8	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	21%	0.211	C	C	.	.	S	Bend	trans	-90.5	-15	175.1	-70	168.1	0	0	0	112.7	L78 I99 F103 F346 K351 L352 A384 H386	L78-L348 HydrophobicContact CD2-CD2 4.26Å; I99-L348 HydrophobicContact CD1-CD1 4.41Å; I99-L348 HydrophobicContact CD1-CD2 3.96Å; I99-L348 HydrophobicContact CG1-CD1 4.14Å; I99-L348 HydrophobicContact CG2-CD1 3.78Å; I99-L348 HydrophobicContact CG2-CD2 4.39Å; F103-L348 HydrophobicContact CE2-CD1 3.85Å; F346-L348 HydrophobicContact CD2-CD2 4.08Å; F346-L348 HydrophobicContact CD2-CG 4.47Å; F346-L348 HydrophobicContact CE2-CD2 3.54Å; F346-L348 HydrophobicContact CE2-CG 4.29Å; L348-K351 PolarHBondContact O-N 3.02Å; L348-L352 HydrophobicContact CB-CD1 3.82Å; L348-L352 HydrophobicContact CB-CG 4.28Å; L348-L352 WeakPolarHBondContact O-CB 3.48Å; L348-L352 VanDerWaalsContact O-CG 3.3Å; L348-L352 WeakPolarHBondContact O-CG 3.4Å; L348-L352 PolarHBondContact O-N 3.4Å; L348-A384 HydrophobicContact CB-CB 4.15Å; L348-A384 WeakPolarHBondContact CB-O 3.43Å; L348-A384 HydrophobicContact CD1-CB 4.34Å; L348-A384 PolarHBondContact N-O 2.76Å; L348-H386 HydrophobicContact CD1-CB 4.07Å; L348-H386 HydrophobicContact CD2-CB 4.46Å; L348-H386 HydrophobicContact CG-CB 4.19Å
349	K	94.9	Very high	93.9	Very high	52 Å²	52	42.6 Å²	42.6	23%	0.226	22%	0.217	C	C	.	.	H	α-helix	trans	-54.7	-60.9	-171	173.9	173.7	-179	167.7	0	112	S347 K351 L352 Q353 F361 S382 D383	S347-K349 PolarHBondContact OG-N 2.96Å; K349-K351 PolarHBondContact O-N 3.42Å; K349-L352 PolarHBondContact O-N 3.32Å; K349-Q353 WeakPolarHBondContact O-CB 3.32Å; K349-Q353 VanDerWaalsContact O-CG 3.32Å; K349-Q353 WeakPolarHBondContact O-CG 3.31Å; K349-Q353 PolarHBondContact O-N 2.9Å; K349-F361 HydrophobicContact CB-CD1 4.11Å; K349-F361 HydrophobicContact CB-CE1 4.02Å; K349-F361 HydrophobicContact CB-CZ 4.46Å; K349-F361 HydrophobicContact CD-CB 4.45Å; K349-F361 HydrophobicContact CD-CD1 4.13Å; K349-F361 HydrophobicContact CD-CG 4.46Å; K349-F361 HydrophobicContact CG-CB 4.24Å; K349-F361 HydrophobicContact CG-CD1 3.73Å; K349-F361 HydrophobicContact CG-CD2 4.42Å; K349-F361 HydrophobicContact CG-CE1 4.14Å; K349-F361 HydrophobicContact CG-CG 3.9Å; K349-S382 WeakPolarHBondContact CD-O 3.46Å; K349-S382 PolarHBondContact NZ-O 3.33Å; K349-D383 WeakPolarHBondContact CB-OD1 3.1Å
350	D	94.5	Very high	94	Very high	89 Å²	89	39 Å²	39	48%	0.476	20%	0.203	S	C	.	.	H	α-helix	trans	-60.9	-36.4	-175.7	-62.3	-16.8	0	0	0	111.8	Q354	D350-Q354 WeakPolarHBondContact O-CB 3.38Å; D350-Q354 VanDerWaalsContact O-CG 3.23Å; D350-Q354 WeakPolarHBondContact O-CG 3.49Å; D350-Q354 PolarHBondContact O-N 2.84Å
351	K	95.4	Very high	94.3	Very high	34 Å²	34	39.2 Å²	39.2	15%	0.148	20%	0.204	C	C	.	.	H	α-helix	trans	-70.1	-45.3	-179.4	-54.2	-56.3	170.5	-145.9	0	111.7	L78 M82 S85 L348 K349 Q353 Q354 M355	L78-K351 HydrophobicContact CD1-CB 4.19Å; M82-K351 HydrophobicContact SD-CD 4.35Å; M82-K351 HydrophobicContact SD-CG 3.84Å; S85-K351 VanDerWaalsContact CB-CE 3.44Å; S85-K351 WeakPolarHBondContact OG-CE 3.44Å; S85-K351 PolarHBondContact OG-NZ 3.27Å; L348-K351 PolarHBondContact O-N 3.02Å; K349-K351 PolarHBondContact O-N 3.42Å; K351-Q353 VanDerWaalsContact C-N 3.35Å; K351-Q354 PolarHBondContact O-N 2.99Å; K351-M355 VanDerWaalsContact O-CG 3.31Å; K351-M355 WeakPolarHBondContact O-CG 3.22Å; K351-M355 PolarHBondContact O-N 3.09Å; K351-M355 VanDerWaalsContact O-N 3.08Å
352	L	97.2	Very high	94.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-69.8	-34.7	178.4	-67.6	174.5	0	0	0	111.4	F74 L78 F103 V121 F122 L348 K349 M355 G356 L357 F361	F74-L352 HydrophobicContact CE2-CD2 4.02Å; F74-L352 HydrophobicContact CZ-CD2 4.29Å; L78-L352 HydrophobicContact CD1-CD2 4.43Å; F103-L352 HydrophobicContact CD1-CD1 4.41Å; F103-L352 HydrophobicContact CD2-CD1 4.36Å; F103-L352 HydrophobicContact CE1-CD1 3.63Å; F103-L352 HydrophobicContact CE2-CD1 3.58Å; F103-L352 HydrophobicContact CZ-CD1 3.16Å; V121-L352 HydrophobicContact CG1-CD2 4.07Å; F122-L352 HydrophobicContact CZ-CD1 4.27Å; F122-L352 HydrophobicContact CZ-CD2 4.09Å; L348-L352 HydrophobicContact CB-CD1 3.82Å; L348-L352 HydrophobicContact CB-CG 4.28Å; L348-L352 WeakPolarHBondContact O-CB 3.48Å; L348-L352 VanDerWaalsContact O-CG 3.3Å; L348-L352 WeakPolarHBondContact O-CG 3.4Å; L348-L352 PolarHBondContact O-N 3.4Å; K349-L352 PolarHBondContact O-N 3.32Å; L352-M355 HydrophobicContact CD2-SD 4.2Å; L352-M355 CarbonylContact O-C 3.58Å; L352-M355 WeakPolarHBondContact O-CB 3.35Å; L352-M355 PolarHBondContact O-N 3.13Å; L352-M355 VanDerWaalsContact O-N 3.12Å; L352-G356 PolarHBondContact O-N 2.8Å; L352-G356 VanDerWaalsContact O-N 3.16Å; L352-L357 HydrophobicContact CB-CB 4.16Å; L352-L357 HydrophobicContact CB-CD2 4.15Å; L352-L357 HydrophobicContact CD1-CD2 4.26Å; L352-L357 WeakPolarHBondContact O-CB 2.96Å; L352-L357 PolarHBondContact O-N 2.95Å; L352-F361 HydrophobicContact CB-CE2 3.93Å; L352-F361 HydrophobicContact CB-CZ 4.23Å; L352-F361 HydrophobicContact CD1-CZ 4.08Å
353	Q	96.7	Very high	94.7	Very high	61 Å²	61	38.5 Å²	38.5	29%	0.285	22%	0.218	S	C	.	.	H	α-helix	trans	-61.4	-43.5	171.2	-72.8	-175.7	-53.4	0	0	111.7	K349 K351 M355 G356 L357 F361	K349-Q353 WeakPolarHBondContact O-CB 3.32Å; K349-Q353 VanDerWaalsContact O-CG 3.32Å; K349-Q353 WeakPolarHBondContact O-CG 3.31Å; K349-Q353 PolarHBondContact O-N 2.9Å; K351-Q353 VanDerWaalsContact C-N 3.35Å; Q353-M355 PolarHBondContact O-N 3.24Å; Q353-G356 PolarHBondContact O-N 3.12Å; Q353-L357 WeakPolarHBondContact CA-O 3.48Å; Q353-L357 WeakPolarHBondContact CG-O 3.17Å; Q353-F361 HydrophobicContact CG-CB 4.46Å; Q353-F361 HydrophobicContact CG-CD2 3.69Å; Q353-F361 HydrophobicContact CG-CE2 4.31Å; Q353-F361 HydrophobicContact CG-CG 4.37Å
354	Q	96.3	Very high	95	Very high	119 Å²	119	42.2 Å²	42.2	56%	0.556	24%	0.241	S	C	*	.	H	α-helix	trans	-63.7	-25.1	174.1	-73.3	169.8	6.6	0	0	113.1	D350 K351 G356	D350-Q354 WeakPolarHBondContact O-CB 3.38Å; D350-Q354 VanDerWaalsContact O-CG 3.23Å; D350-Q354 WeakPolarHBondContact O-CG 3.49Å; D350-Q354 PolarHBondContact O-N 2.84Å; K351-Q354 PolarHBondContact O-N 2.99Å; Q354-G356 VanDerWaalsContact C-N 3.32Å
355	M	96.9	Very high	95.3	Very high	40 Å²	40	44.7 Å²	44.7	20%	0.197	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-6.8	172.7	-65.4	173.6	71.9	0	0	113.4	F74 A77 L78 Q81 V121 K351 L352 Q353	F74-M355 HydrophobicContact CD2-CE 4.03Å; F74-M355 HydrophobicContact CE2-CE 4.03Å; A77-M355 HydrophobicContact CB-CE 3.83Å; L78-M355 HydrophobicContact CB-CE 4.21Å; L78-M355 HydrophobicContact CB-SD 4.12Å; L78-M355 HydrophobicContact CD1-SD 3.8Å; Q81-M355 HydrophobicContact CG-CG 3.66Å; Q81-M355 HydrophobicContact CG-SD 4.03Å; V121-M355 HydrophobicContact CG1-CB 3.93Å; V121-M355 HydrophobicContact CG1-CE 4.21Å; V121-M355 HydrophobicContact CG2-CB 4.41Å; V121-M355 WeakPolarHBondContact CG2-O 3.32Å; K351-M355 VanDerWaalsContact O-CG 3.31Å; K351-M355 WeakPolarHBondContact O-CG 3.22Å; K351-M355 PolarHBondContact O-N 3.09Å; K351-M355 VanDerWaalsContact O-N 3.08Å; L352-M355 HydrophobicContact CD2-SD 4.2Å; L352-M355 CarbonylContact O-C 3.58Å; L352-M355 WeakPolarHBondContact O-CB 3.35Å; L352-M355 PolarHBondContact O-N 3.13Å; L352-M355 VanDerWaalsContact O-N 3.12Å; Q353-M355 PolarHBondContact O-N 3.24Å
356	G	97	Very high	95.6	Very high	34 Å²	34	42.8 Å²	42.8	35%	0.351	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	107.6	5.1	177.5	0	0	0	0	0	115.5	Q117 L352 Q353 Q354 T358	Q117-G356 WeakPolarHBondContact CG-O 3.32Å; L352-G356 PolarHBondContact O-N 2.8Å; L352-G356 VanDerWaalsContact O-N 3.16Å; Q353-G356 PolarHBondContact O-N 3.12Å; Q354-G356 VanDerWaalsContact C-N 3.32Å; G356-T358 PolarHBondContact O-N 3.39Å
357	L	97.6	Very high	95.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.242	C	C	.	.			trans	-89.3	75.9	174.1	-173.7	59.9	0	0	0	109.6	F103 Q117 I118 V121 F122 L352 Q353 L360 F361	F103-L357 HydrophobicContact CD1-CD2 4.08Å; F103-L357 HydrophobicContact CE1-CD2 3.99Å; Q117-L357 HydrophobicContact CB-CD1 3.72Å; I118-L357 HydrophobicContact CB-CD1 4.47Å; I118-L357 HydrophobicContact CG1-CD1 3.62Å; V121-L357 HydrophobicContact CB-CB 4.43Å; V121-L357 HydrophobicContact CG1-CB 4.41Å; V121-L357 HydrophobicContact CG2-CB 4Å; F122-L357 HydrophobicContact CE2-CD2 3.93Å; L352-L357 HydrophobicContact CB-CB 4.16Å; L352-L357 HydrophobicContact CB-CD2 4.15Å; L352-L357 HydrophobicContact CD1-CD2 4.26Å; L352-L357 WeakPolarHBondContact O-CB 2.96Å; L352-L357 PolarHBondContact O-N 2.95Å; Q353-L357 WeakPolarHBondContact CA-O 3.48Å; Q353-L357 WeakPolarHBondContact CG-O 3.17Å; L357-L360 HydrophobicContact CD1-CB 3.88Å; L357-L360 HydrophobicContact CD1-CD2 4.2Å; L357-L360 HydrophobicContact CD2-CD2 3.78Å; L357-L360 HydrophobicContact CG-CB 4.04Å; L357-L360 HydrophobicContact CG-CD2 4.14Å; L357-F361 HydrophobicContact CB-CE2 4.43Å; L357-F361 HydrophobicContact CD2-CE2 3.99Å; L357-F361 HydrophobicContact CD2-CZ 4.47Å; L357-F361 HydrophobicContact CG-CE2 3.96Å; L357-F361 WeakPolarHBondContact O-CD2 3.49Å; L357-F361 WeakPolarHBondContact O-CE2 3.36Å
358	T	97.6	Very high	95.9	Very high	61 Å²	61	40.5 Å²	40.5	37%	0.374	23%	0.23	S	C	.	.			trans	-92	-44	-174.9	52	0	0	0	0	113	Q117 G356 L360 F361	Q117-T358 PolarHBondContact NE2-OG1 3.27Å; G356-T358 PolarHBondContact O-N 3.39Å; T358-L360 VanDerWaalsContact C-N 3.32Å; T358-L360 PolarHBondContact O-N 3.09Å; T358-F361 PolarHBondContact O-N 3.05Å
359	D	97.3	Very high	95.9	Very high	24 Å²	24	41.1 Å²	41.1	13%	0.128	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-68.5	-37.9	-165.9	-67.7	19.7	0	0	0	110.9	Q113 Q117 F361 S362 T365 A366	Q113-D359 VanDerWaalsContact CB-OD2 3.28Å; Q113-D359 WeakPolarHBondContact CB-OD2 3.34Å; Q113-D359 WeakPolarHBondContact CG-OD2 3.21Å; Q117-D359 PolarHBondContact NE2-OD1 3.08Å; Q117-D359 PolarHBondContact NE2-OD2 3.39Å; Q117-D359 PolarHBondContact OE1-OD1 3.13Å; D359-F361 PolarHBondContact O-N 3.33Å; D359-F361 VanDerWaalsContact O-N 3.08Å; D359-S362 PolarHBondContact O-N 2.89Å; D359-T365 WeakPolarHBondContact CA-OG1 3.46Å; D359-A366 WeakPolarHBondContact O-CA 3.47Å; D359-A366 VanDerWaalsContact O-CB 3.26Å; D359-A366 WeakPolarHBondContact O-CB 3.21Å; D359-A366 PolarHBondContact O-N 3.4Å
360	L	96.7	Very high	95.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-55.9	-29.4	180	-176.1	62	0	0	0	113.5	F103 T106 T114 I118 L357 T358 L368 I381	F103-L360 HydrophobicContact CD1-CD2 3.87Å; F103-L360 HydrophobicContact CE1-CD2 3.72Å; T106-L360 HydrophobicContact CG2-CD1 3.64Å; T106-L360 HydrophobicContact CG2-CD2 4.24Å; T114-L360 HydrophobicContact CG2-CB 4.09Å; T114-L360 HydrophobicContact CG2-CD1 3.78Å; I118-L360 HydrophobicContact CD1-CD1 4.47Å; I118-L360 HydrophobicContact CD1-CD2 4.3Å; I118-L360 HydrophobicContact CG1-CD2 4.39Å; L357-L360 HydrophobicContact CD1-CB 3.88Å; L357-L360 HydrophobicContact CD1-CD2 4.2Å; L357-L360 HydrophobicContact CD2-CD2 3.78Å; L357-L360 HydrophobicContact CG-CB 4.04Å; L357-L360 HydrophobicContact CG-CD2 4.14Å; T358-L360 VanDerWaalsContact C-N 3.32Å; T358-L360 PolarHBondContact O-N 3.09Å; L360-L368 HydrophobicContact CD1-CD1 3.96Å; L360-L368 HydrophobicContact CD1-CD2 3.82Å; L360-L368 HydrophobicContact CD1-CG 4.23Å; L360-I381 HydrophobicContact CD1-CG1 3.73Å; L360-I381 HydrophobicContact CD2-CG1 4.18Å; L360-I381 HydrophobicContact CG-CB 4.19Å; L360-I381 HydrophobicContact CG-CG1 3.76Å; L360-I381 PolarHBondContact O-N 3.12Å
361	F	96.4	Very high	95.8	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.035	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-102	8.4	-177.1	-57.5	-78.7	0	0	0	113.8	F103 K349 L352 Q353 L357 T358 D359 I381 A384	F103-F361 HydrophobicContact CE1-CZ 4.01Å; F103-F361 HydrophobicContact CZ-CZ 4.15Å; K349-F361 HydrophobicContact CB-CD1 4.11Å; K349-F361 HydrophobicContact CB-CE1 4.02Å; K349-F361 HydrophobicContact CB-CZ 4.46Å; K349-F361 HydrophobicContact CD-CB 4.45Å; K349-F361 HydrophobicContact CD-CD1 4.13Å; K349-F361 HydrophobicContact CD-CG 4.46Å; K349-F361 HydrophobicContact CG-CB 4.24Å; K349-F361 HydrophobicContact CG-CD1 3.73Å; K349-F361 HydrophobicContact CG-CD2 4.42Å; K349-F361 HydrophobicContact CG-CE1 4.14Å; K349-F361 HydrophobicContact CG-CG 3.9Å; L352-F361 HydrophobicContact CB-CE2 3.93Å; L352-F361 HydrophobicContact CB-CZ 4.23Å; L352-F361 HydrophobicContact CD1-CZ 4.08Å; Q353-F361 HydrophobicContact CG-CB 4.46Å; Q353-F361 HydrophobicContact CG-CD2 3.69Å; Q353-F361 HydrophobicContact CG-CE2 4.31Å; Q353-F361 HydrophobicContact CG-CG 4.37Å; L357-F361 HydrophobicContact CB-CE2 4.43Å; L357-F361 HydrophobicContact CD2-CE2 3.99Å; L357-F361 HydrophobicContact CD2-CZ 4.47Å; L357-F361 HydrophobicContact CG-CE2 3.96Å; L357-F361 WeakPolarHBondContact O-CD2 3.49Å; L357-F361 WeakPolarHBondContact O-CE2 3.36Å; T358-F361 PolarHBondContact O-N 3.05Å; D359-F361 PolarHBondContact O-N 3.33Å; D359-F361 VanDerWaalsContact O-N 3.08Å; F361-I381 WeakPolarHBondContact CA-O 3.29Å; F361-I381 HydrophobicContact CD1-CB 3.96Å; F361-I381 HydrophobicContact CD1-CG2 3.79Å; F361-I381 WeakPolarHBondContact CD1-O 3.36Å; F361-I381 HydrophobicContact CE1-CB 4.12Å; F361-I381 HydrophobicContact CE1-CG2 3.6Å; F361-A384 HydrophobicContact CE1-CB 4.44Å
362	S	95.3	Very high	95.7	Very high	35 Å²	35	33.2 Å²	33.2	25%	0.245	20%	0.197	C	C	.	.			trans	-114.9	128.1	-175.8	165.8	0	0	0	0	110.6	D359 D364 T365 A366	D359-S362 PolarHBondContact O-N 2.89Å; S362-D364 PolarHBondContact O-N 3.07Å; S362-D364 PolarHBondContact OG-N 3.15Å; S362-T365 WeakPolarHBondContact CB-OG1 3.47Å; S362-T365 PolarHBondContact O-N 2.87Å; S362-T365 PolarHBondContact OG-OG1 3.24Å; S362-A366 WeakPolarHBondContact O-CB 3.37Å; S362-A366 PolarHBondContact O-N 3.32Å
363	A	93.3	Very high	95.4	Very high	57 Å²	57	39.6 Å²	39.6	47%	0.471	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.5	179.4	0	0	0	0	0	113.5	F380	A363-F380 HydrophobicContact CB-CD1 3.69Å; A363-F380 HydrophobicContact CB-CE1 3.6Å; A363-F380 HydrophobicContact CB-CG 4.22Å; A363-F380 HydrophobicContact CB-CZ 4.08Å
364	D	93	Very high	94.9	Very high	156 Å²	156	42.4 Å²	42.4	83%	0.834	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-20.2	-174.3	-60.9	-38.1	0	0	0	113.2	S362	S362-D364 PolarHBondContact O-N 3.07Å; S362-D364 PolarHBondContact OG-N 3.15Å
365	T	95.4	Very high	94.1	Very high	68 Å²	68	38.4 Å²	38.4	42%	0.417	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-14.9	-169.2	55.3	0	0	0	0	114.1	D359 S362 S367	D359-T365 WeakPolarHBondContact CA-OG1 3.46Å; S362-T365 WeakPolarHBondContact CB-OG1 3.47Å; S362-T365 PolarHBondContact O-N 2.87Å; S362-T365 PolarHBondContact OG-OG1 3.24Å; T365-S367 PolarHBondContact O-N 3.12Å
366	A	96.1	Very high	93.4	Very high	4 Å²	4	38 Å²	38	3%	0.033	24%	0.236	C	C	.	.			trans	-61.7	133.4	178.2	0	0	0	0	0	110.7	D359 S362 L379 F380	D359-A366 WeakPolarHBondContact O-CA 3.47Å; D359-A366 VanDerWaalsContact O-CB 3.26Å; D359-A366 WeakPolarHBondContact O-CB 3.21Å; D359-A366 PolarHBondContact O-N 3.4Å; S362-A366 WeakPolarHBondContact O-CB 3.37Å; S362-A366 PolarHBondContact O-N 3.32Å; A366-L379 WeakPolarHBondContact CB-O 3.09Å; A366-F380 HydrophobicContact CB-CB 3.5Å; A366-F380 VanDerWaalsContact CB-CB 3.5Å
367	S	96	Very high	92.4	Very high	7 Å²	7	40.3 Å²	40.3	5%	0.049	24%	0.24	C	C	.	.			trans	-124.5	102.6	174.2	-175.1	0	0	0	0	110.4	A110 C111 N112 T114 T365 D377	A110-S367 WeakPolarHBondContact CA-O 3.46Å; C111-S367 PolarHBondContact N-O 3.46Å; C111-S367 VanDerWaalsContact N-O 3.09Å; N112-S367 PolarHBondContact ND2-OG 2.99Å; T114-S367 PolarHBondContact OG1-N 3.37Å; T365-S367 PolarHBondContact O-N 3.12Å; S367-D377 WeakPolarHBondContact CA-OD1 3.42Å; S367-D377 WeakPolarHBondContact CB-OD1 3.32Å; S367-D377 PolarHBondContact OG-OD1 2.94Å
368	L	95.5	Very high	91.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.262	C	S	.	.			trans	-127.7	44.5	-178.7	-62.9	176.2	0	0	0	112.8	T106 G109 A110 T114 L229 L360 G370 I371 L379	T106-L368 HydrophobicContact CG2-CD1 4.44Å; T106-L368 HydrophobicContact CG2-CD2 3.81Å; G109-L368 CarbonylContact O-C 3.15Å; G109-L368 VanDerWaalsContact O-CA 3.24Å; G109-L368 WeakPolarHBondContact O-CA 3.28Å; A110-L368 HydrophobicContact CB-CD2 3.8Å; T114-L368 HydrophobicContact CG2-CD2 4.31Å; L229-L368 HydrophobicContact CD2-CD1 4.38Å; L360-L368 HydrophobicContact CD1-CD1 3.96Å; L360-L368 HydrophobicContact CD1-CD2 3.82Å; L360-L368 HydrophobicContact CD1-CG 4.23Å; L368-G370 PolarHBondContact O-N 3.21Å; L368-G370 VanDerWaalsContact O-N 3.12Å; L368-I371 HydrophobicContact CB-CD1 4.12Å; L368-I371 HydrophobicContact CB-CG1 4.3Å; L368-I371 HydrophobicContact CD1-CD1 4.17Å; L368-I371 HydrophobicContact CD2-CD1 4.2Å; L368-I371 HydrophobicContact CG-CD1 4.41Å; L368-I371 PolarHBondContact O-N 3.49Å; L368-L379 HydrophobicContact CB-CB 4.28Å; L368-L379 HydrophobicContact CB-CD2 4.06Å; L368-L379 HydrophobicContact CB-CG 4.47Å; L368-L379 HydrophobicContact CD1-CD2 4.12Å; L368-L379 HydrophobicContact CD1-CG 4.11Å
369	P	95	Very high	91.3	Very high	14 Å²	14	40.6 Å²	40.6	9%	0.091	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-22.4	-170.3	30.6	-37.5	0	0	0	112.6	G109 C111 I371 G375 D377	G109-P369 WeakPolarHBondContact O-CD 3.21Å; C111-P369 HydrophobicContact CB-CG 3.98Å; C111-P369 WeakPolarHBondContact SG-CG 3.35Å; P369-I371 PolarHBondContact O-N 2.86Å; P369-G375 WeakPolarHBondContact CB-O 3.37Å; P369-D377 WeakPolarHBondContact CD-OD1 3.46Å
370	G	93.5	Very high	91.2	Very high	6 Å²	6	41.3 Å²	41.3	6%	0.062	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-10.7	177.6	0	0	0	0	0	114.4	G109 Y174 L368	G109-G370 PolarHBondContact O-N 3.03Å; Y174-G370 WeakPolarHBondContact CB-O 3.41Å; L368-G370 PolarHBondContact O-N 3.21Å; L368-G370 VanDerWaalsContact O-N 3.12Å
371	I	94.3	Very high	91.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-32.1	179.9	-54.3	-171.9	0	0	0	111.6	F170 N171 Y174 L186 L368 P369 L379	F170-I371 WeakPolarHBondContact CA-O 3.49Å; F170-I371 HydrophobicContact CD1-CG2 4.08Å; N171-I371 PolarHBondContact N-O 3.37Å; Y174-I371 HydrophobicContact CD1-CG2 4.27Å; Y174-I371 HydrophobicContact CD2-CG1 4.19Å; Y174-I371 HydrophobicContact CE1-CG2 4.08Å; Y174-I371 HydrophobicContact CE2-CD1 4.33Å; Y174-I371 HydrophobicContact CE2-CG1 3.91Å; L186-I371 HydrophobicContact CD1-CG2 4Å; L368-I371 HydrophobicContact CB-CD1 4.12Å; L368-I371 HydrophobicContact CB-CG1 4.3Å; L368-I371 HydrophobicContact CD1-CD1 4.17Å; L368-I371 HydrophobicContact CD2-CD1 4.2Å; L368-I371 HydrophobicContact CG-CD1 4.41Å; L368-I371 PolarHBondContact O-N 3.49Å; P369-I371 PolarHBondContact O-N 2.86Å; I371-L379 HydrophobicContact CB-CD2 3.6Å; I371-L379 HydrophobicContact CD1-CD2 4.08Å; I371-L379 HydrophobicContact CG1-CD2 4.33Å; I371-L379 HydrophobicContact CG2-CD2 3.54Å
372	L	93.2	Very high	91.1	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-92.9	147.8	179	-63.4	-175.3	0	0	0	111.6	L168 Y169 F170 D374 G375 S376 S378 L379	L168-L372 HydrophobicContact CB-CD2 4.08Å; L168-L372 HydrophobicContact CD1-CD2 4.41Å; Y169-L372 WeakPolarHBondContact O-CA 3.3Å; F170-L372 HydrophobicContact CD1-CD2 4.17Å; F170-L372 HydrophobicContact CE1-CD2 4.26Å; L372-D374 VanDerWaalsContact C-N 3.33Å; L372-D374 WeakPolarHBondContact CB-OD1 3.46Å; L372-G375 PolarHBondContact O-N 3.01Å; L372-S376 VanDerWaalsContact CD1-OG 3.3Å; L372-S376 WeakPolarHBondContact CD1-OG 3.46Å; L372-S378 WeakPolarHBondContact CD1-OG 3.22Å; L372-L379 HydrophobicContact CD1-CB 3.99Å; L372-L379 HydrophobicContact CD2-CD1 4.42Å; L372-L379 HydrophobicContact CD2-CD2 4.21Å; L372-L379 HydrophobicContact CG-CB 4.23Å; L372-L379 HydrophobicContact CG-CD2 4.16Å
373	E	90.6	Very high	91.1	Very high	135 Å²	135	41.2 Å²	41.2	63%	0.631	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-35.3	177.5	-173.5	176.3	-172.5	0	0	112	Y169 G375	Y169-E373 PolarHBondContact O-N 2.85Å; E373-G375 VanDerWaalsContact C-N 3.27Å; E373-G375 PolarHBondContact O-N 2.03Å
374	D	86.6	Confident	91.2	Very high	119 Å²	119	38.5 Å²	38.5	64%	0.636	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-5.8	-179.8	68.7	-1.3	0	0	0	113.9	L372 S376	L372-D374 VanDerWaalsContact C-N 3.33Å; L372-D374 WeakPolarHBondContact CB-OD1 3.46Å; D374-S376 PolarHBondContact O-N 3.17Å; D374-S376 WeakPolarHBondContact OD1-CB 3.39Å; D374-S376 PolarHBondContact OD1-N 2.94Å; D374-S376 PolarHBondContact OD1-OG 3.21Å; D374-S376 PolarHBondContact OD2-OG 2.83Å
375	G	79	Confident	91.3	Very high	35 Å²	35	31.9 Å²	31.9	36%	0.361	19%	0.186	S	C	.	.			trans	65.5	17.6	-178.1	0	0	0	0	0	114.4	P369 L372 E373	P369-G375 WeakPolarHBondContact CB-O 3.37Å; L372-G375 PolarHBondContact O-N 3.01Å; E373-G375 VanDerWaalsContact C-N 3.27Å; E373-G375 PolarHBondContact O-N 2.03Å
376	S	83.1	Confident	91.3	Very high	33 Å²	33	28.7 Å²	28.7	23%	0.231	17%	0.166	C	C	.	.			trans	-75.9	149.1	-180	69	0	0	0	0	112.4	L372 D374 S378	L372-S376 VanDerWaalsContact CD1-OG 3.3Å; L372-S376 WeakPolarHBondContact CD1-OG 3.46Å; D374-S376 PolarHBondContact O-N 3.17Å; D374-S376 WeakPolarHBondContact OD1-CB 3.39Å; D374-S376 PolarHBondContact OD1-N 2.94Å; D374-S376 PolarHBondContact OD1-OG 3.21Å; D374-S376 PolarHBondContact OD2-OG 2.83Å; S376-S378 PolarHBondContact O-N 3.28Å; S376-S378 PolarHBondContact OG-OG 3.06Å
377	D	75.4	Confident	91.1	Very high	81 Å²	81	29.1 Å²	29.1	43%	0.433	17%	0.168	S	C	.	.	S	Bend	trans	-86.4	29.9	173.2	-71.3	-47	0	0	0	112.1	S367 P369 L379	S367-D377 WeakPolarHBondContact CA-OD1 3.42Å; S367-D377 WeakPolarHBondContact CB-OD1 3.32Å; S367-D377 PolarHBondContact OG-OD1 2.94Å; P369-D377 WeakPolarHBondContact CD-OD1 3.46Å; D377-L379 PolarHBondContact O-N 3.33Å
378	S	79.4	Confident	90.9	Very high	66 Å²	66	28.8 Å²	28.8	46%	0.462	17%	0.165	S	C	.	.			trans	-82.5	-0.2	-179.6	64.2	0	0	0	0	113.8	L372 S376	L372-S378 WeakPolarHBondContact CD1-OG 3.22Å; S376-S378 PolarHBondContact O-N 3.28Å; S376-S378 PolarHBondContact OG-OG 3.06Å
379	L	92.6	Very high	90.5	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	17%	0.167	C	C	.	.			trans	-106.8	127	-172	-169.6	73.4	0	0	0	111.3	L168 V228 L229 A366 L368 I371 L372 D377	L168-L379 HydrophobicContact CD1-CD1 3.61Å; V228-L379 HydrophobicContact CG1-CD1 3.76Å; L229-L379 HydrophobicContact CB-CD1 4.16Å; L229-L379 HydrophobicContact CD2-CD1 4.17Å; L229-L379 HydrophobicContact CD2-CD2 3.92Å; L229-L379 HydrophobicContact CD2-CG 3.99Å; A366-L379 WeakPolarHBondContact CB-O 3.09Å; L368-L379 HydrophobicContact CB-CB 4.28Å; L368-L379 HydrophobicContact CB-CD2 4.06Å; L368-L379 HydrophobicContact CB-CG 4.47Å; L368-L379 HydrophobicContact CD1-CD2 4.12Å; L368-L379 HydrophobicContact CD1-CG 4.11Å; I371-L379 HydrophobicContact CB-CD2 3.6Å; I371-L379 HydrophobicContact CD1-CD2 4.08Å; I371-L379 HydrophobicContact CG1-CD2 4.33Å; I371-L379 HydrophobicContact CG2-CD2 3.54Å; L372-L379 HydrophobicContact CD1-CB 3.99Å; L372-L379 HydrophobicContact CD2-CD1 4.42Å; L372-L379 HydrophobicContact CD2-CD2 4.21Å; L372-L379 HydrophobicContact CG-CB 4.23Å; L372-L379 HydrophobicContact CG-CD2 4.16Å; D377-L379 PolarHBondContact O-N 3.33Å
380	F	95.1	Very high	90.1	Very high	39 Å²	39	28.6 Å²	28.6	17%	0.171	16%	0.163	C	C	.	.			trans	-135.3	156.6	172.7	65.9	-81.7	0	0	0	109.8	V228 L229 A363 A366 S382	V228-F380 HydrophobicContact CB-CE1 4.18Å; V228-F380 HydrophobicContact CB-CZ 4.32Å; V228-F380 HydrophobicContact CG2-CD1 4.46Å; V228-F380 HydrophobicContact CG2-CE1 3.61Å; V228-F380 HydrophobicContact CG2-CZ 3.75Å; L229-F380 WeakPolarHBondContact CB-O 3.29Å; A363-F380 HydrophobicContact CB-CD1 3.69Å; A363-F380 HydrophobicContact CB-CE1 3.6Å; A363-F380 HydrophobicContact CB-CG 4.22Å; A363-F380 HydrophobicContact CB-CZ 4.08Å; A366-F380 HydrophobicContact CB-CB 3.5Å; A366-F380 VanDerWaalsContact CB-CB 3.5Å; F380-S382 PolarHBondContact O-N 3.45Å
381	I	95.6	Very high	90	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.			trans	-78.7	115.6	173.1	-61.9	-75.4	0	0	0	108.1	T106 L162 L229 L360 F361 D383	T106-I381 HydrophobicContact CG2-CD1 4.25Å; T106-I381 HydrophobicContact CG2-CG1 4.26Å; L162-I381 HydrophobicContact CD2-CD1 3.96Å; L229-I381 HydrophobicContact CB-CD1 4.38Å; L229-I381 HydrophobicContact CD2-CD1 3.37Å; L229-I381 HydrophobicContact CD2-CG1 4.34Å; L229-I381 HydrophobicContact CG-CD1 3.69Å; L360-I381 HydrophobicContact CD1-CG1 3.73Å; L360-I381 HydrophobicContact CD2-CG1 4.18Å; L360-I381 HydrophobicContact CG-CB 4.19Å; L360-I381 HydrophobicContact CG-CG1 3.76Å; L360-I381 PolarHBondContact O-N 3.12Å; F361-I381 WeakPolarHBondContact CA-O 3.29Å; F361-I381 HydrophobicContact CD1-CB 3.96Å; F361-I381 HydrophobicContact CD1-CG2 3.79Å; F361-I381 WeakPolarHBondContact CD1-O 3.36Å; F361-I381 HydrophobicContact CE1-CB 4.12Å; F361-I381 HydrophobicContact CE1-CG2 3.6Å; I381-D383 VanDerWaalsContact CG2-O 3.28Å; I381-D383 WeakPolarHBondContact CG2-O 3.29Å
382	S	95.7	Very high	89.9	Confident	15 Å²	15	31.1 Å²	31.1	11%	0.105	17%	0.173	C	C	.	.			trans	-68.3	-45.3	177.1	-55.3	0	0	0	0	111.1	V228 L229 K349 F380	V228-S382 PolarHBondContact N-OG 3.43Å; L229-S382 PolarHBondContact N-OG 2.92Å; L229-S382 PolarHBondContact O-N 2.82Å; K349-S382 WeakPolarHBondContact CD-O 3.46Å; K349-S382 PolarHBondContact NZ-O 3.33Å; F380-S382 PolarHBondContact O-N 3.45Å
383	D	95.2	Very high	89.8	Confident	26 Å²	26	31.8 Å²	31.8	14%	0.139	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	163.6	174.4	-153	-16.3	0	0	0	110.9	V230 L231 S347 K349 I381 Y385	V230-D383 WeakPolarHBondContact CA-O 3.47Å; L231-D383 PolarHBondContact N-O 3.35Å; S347-D383 WeakPolarHBondContact CB-OD1 3.3Å; S347-D383 PolarHBondContact OG-OD1 3.05Å; S347-D383 PolarHBondContact OG-OD2 2.89Å; K349-D383 WeakPolarHBondContact CB-OD1 3.1Å; I381-D383 VanDerWaalsContact CG2-O 3.28Å; I381-D383 WeakPolarHBondContact CG2-O 3.29Å; D383-Y385 HydrophobicContact CB-CE2 3.78Å; D383-Y385 PolarHBondContact OD2-OH 2.72Å
384	A	95.4	Very high	89.8	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.4	173.7	0	0	0	0	0	110.1	F103 L231 S347 L348 F361	F103-A384 HydrophobicContact CE2-CB 4.11Å; F103-A384 HydrophobicContact CZ-CB 3.61Å; L231-A384 HydrophobicContact CB-CB 3.99Å; L231-A384 HydrophobicContact CD2-CB 4.39Å; L231-A384 CarbonylContact O-C 3.57Å; L231-A384 VanDerWaalsContact O-CA 3.26Å; L231-A384 WeakPolarHBondContact O-CA 3.14Å; S347-A384 CarbonylContact C-O 3.57Å; S347-A384 WeakPolarHBondContact CA-O 3.18Å; L348-A384 HydrophobicContact CB-CB 4.15Å; L348-A384 WeakPolarHBondContact CB-O 3.43Å; L348-A384 HydrophobicContact CD1-CB 4.34Å; L348-A384 PolarHBondContact N-O 2.76Å; F361-A384 HydrophobicContact CE1-CB 4.44Å
385	Y	94.7	Very high	89.8	Confident	18 Å²	18	20.9 Å²	20.9	7%	0.071	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	133	-176.4	-65.8	-79.9	0	0	0	111.4	L218 A222 V230 L231 N233 D383	L218-Y385 HydrophobicContact CD1-CD2 4.27Å; L218-Y385 HydrophobicContact CD1-CG 4.38Å; L218-Y385 HydrophobicContact CD2-CD2 4.38Å; L218-Y385 HydrophobicContact CD2-CE2 4.42Å; L218-Y385 HydrophobicContact CG-CD2 3.99Å; L218-Y385 HydrophobicContact CG-CE2 4.24Å; L218-Y385 HydrophobicContact CG-CG 4.31Å; A222-Y385 HydrophobicContact CB-CE1 4.45Å; A222-Y385 PolarHBondContact O-OH 2.88Å; V230-Y385 HydrophobicContact CG1-CD2 3.68Å; V230-Y385 HydrophobicContact CG1-CE2 3.88Å; L231-Y385 PolarHBondContact O-N 3.29Å; N233-Y385 PolarHBondContact N-O 3.47Å; D383-Y385 HydrophobicContact CB-CE2 3.78Å; D383-Y385 PolarHBondContact OD2-OH 2.72Å
386	H	94.5	Very high	90	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135.9	168.7	-171	65.1	0	0	0	110.3	M94 S95 I99 N233 S345 F346 L348	M94-H386 WeakPolarHBondContact CA-NE2 3.4Å; S95-H386 PolarHBondContact N-NE2 3.31Å; I99-H386 HydrophobicContact CD1-CB 4.39Å; I99-H386 HydrophobicContact CG1-CB 4.4Å; N233-H386 WeakPolarHBondContact O-CA 3.18Å; N233-H386 PolarHBondContact O-ND1 3.08Å; N233-H386 PolarHBondContact OD1-CE1 3.26Å; N233-H386 PolarHBondContact OD1-ND1 3.24Å; S345-H386 VanDerWaalsContact CA-O 3.32Å; S345-H386 WeakPolarHBondContact CA-O 3.33Å; F346-H386 HydrophobicContact CD2-CB 4.48Å; F346-H386 AromaticContact CE1-CD2 3.96Å; F346-H386 HydrophobicContact CE2-CB 4.05Å; F346-H386 HydrophobicContact CZ-CB 4.1Å; F346-H386 AromaticContact CZ-CD2 3.62Å; F346-H386 PolarHBondContact N-O 3.06Å; F346-H386 PolarHBondContact O-N 3.24Å; L348-H386 HydrophobicContact CD1-CB 4.07Å; L348-H386 HydrophobicContact CD2-CB 4.46Å; L348-H386 HydrophobicContact CG-CB 4.19Å
387	K	92.3	Very high	89.5	Confident	14 Å²	14	17.7 Å²	17.7	6%	0.061	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	128.5	166.4	-176.5	164.4	-175.7	170.9	0	110.7	I214 Q215 T217 N233 T234 I235 E343 D344	I214-K387 HydrophobicContact CG2-CB 4.38Å; I214-K387 HydrophobicContact CG2-CD 3.62Å; I214-K387 HydrophobicContact CG2-CG 3.85Å; Q215-K387 PolarHBondContact O-NZ 2.96Å; T217-K387 HydrophobicContact CG2-CB 3.73Å; T217-K387 HydrophobicContact CG2-CD 4.27Å; N233-K387 PolarHBondContact O-N 3.44Å; N233-K387 VanDerWaalsContact O-N 3.08Å; T234-K387 WeakPolarHBondContact CA-O 3.39Å; T234-K387 HydrophobicContact CG2-CB 4.07Å; I235-K387 PolarHBondContact N-O 3.03Å; E343-K387 WeakPolarHBondContact OE1-CE 3.32Å; E343-K387 IonicContact OE1-NZ 2.88Å; E343-K387 PolarHBondContact OE1-NZ 3.26Å; D344-K387 VanDerWaalsContact O-CA 3.3Å; D344-K387 WeakPolarHBondContact O-CA 3.33Å
388	A	91.2	Very high	88.6	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.8	179.8	0	0	0	0	0	110.5	F93 I235 D344	F93-A388 HydrophobicContact CD1-CB 3.58Å; F93-A388 HydrophobicContact CE1-CB 3.94Å; I235-A388 HydrophobicContact CG2-CB 4.4Å; D344-A388 PolarHBondContact N-O 3.42Å; D344-A388 PolarHBondContact O-N 3.2Å
389	F	87.3	Confident	86.8	Confident	9 Å²	9	13.4 Å²	13.4	4%	0.039	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	133.6	-177.2	-178.8	-87	0	0	0	110.4	I214 Y236 R341 E343 E391	I214-F389 HydrophobicContact CG1-CB 4.47Å; Y236-F389 HydrophobicContact CD2-CB 4.36Å; Y236-F389 AromaticContact CD2-CD1 3.73Å; Y236-F389 HydrophobicContact CD2-CD1 3.73Å; Y236-F389 HydrophobicContact CD2-CG 4.39Å; Y236-F389 AromaticContact CE2-CD1 3.73Å; Y236-F389 HydrophobicContact CE2-CD1 3.73Å; Y236-F389 HydrophobicContact CE2-CE1 4.12Å; R341-F389 HydrophobicContact CG-CE2 3.92Å; R341-F389 HydrophobicContact CG-CZ 3.94Å; E343-F389 HydrophobicContact CB-CD2 3.98Å; E343-F389 HydrophobicContact CB-CE2 4.48Å; E343-F389 HydrophobicContact CG-CD2 4.04Å; F389-E391 HydrophobicContact CE1-CB 3.78Å; F389-E391 HydrophobicContact CZ-CB 4.11Å
390	L	88.1	Confident	83.7	Confident	1 Å²	1	18.1 Å²	18.1	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	126.5	170.9	176.7	66.2	0	0	0	110.1	F93 F237 M298 F340 R341 V342 V392 V427 I429	F93-L390 HydrophobicContact CD1-CB 3.98Å; F93-L390 HydrophobicContact CD2-CB 4.39Å; F93-L390 HydrophobicContact CD2-CD2 4.25Å; F93-L390 HydrophobicContact CE1-CB 3.43Å; F93-L390 VanDerWaalsContact CE1-CB 3.43Å; F93-L390 HydrophobicContact CE2-CB 3.9Å; F93-L390 HydrophobicContact CE2-CD2 3.53Å; F93-L390 HydrophobicContact CE2-CG 4.31Å; F93-L390 HydrophobicContact CG-CB 4.44Å; F93-L390 HydrophobicContact CZ-CB 3.4Å; F93-L390 HydrophobicContact CZ-CD1 4.44Å; F93-L390 HydrophobicContact CZ-CD2 3.74Å; F93-L390 HydrophobicContact CZ-CG 4.05Å; F237-L390 HydrophobicContact CD1-CD1 4.4Å; M298-L390 HydrophobicContact CE-CD2 4.21Å; F340-L390 HydrophobicContact CE2-CD2 3.9Å; F340-L390 HydrophobicContact CE2-CG 4.36Å; F340-L390 HydrophobicContact CZ-CD2 4.37Å; R341-L390 CarbonylContact C-O 3.58Å; R341-L390 WeakPolarHBondContact CA-O 3.32Å; V342-L390 PolarHBondContact N-O 3.41Å; V342-L390 PolarHBondContact O-N 3.45Å; L390-V392 HydrophobicContact CD1-CG2 4.04Å; L390-V392 HydrophobicContact CD2-CG2 4.12Å; L390-V392 HydrophobicContact CG-CG2 3.97Å; L390-V427 HydrophobicContact CD2-CG1 4.41Å; L390-I429 HydrophobicContact CD1-CD1 3.92Å; L390-I429 HydrophobicContact CD2-CD1 4.28Å
391	E	89.8	Confident	80.5	Confident	58 Å²	58	20.3 Å²	20.3	27%	0.271	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.3	165.1	-172.9	-169.6	133.9	0	0	107.8	F389 N393 S397 E398	F389-E391 HydrophobicContact CE1-CB 3.78Å; F389-E391 HydrophobicContact CZ-CB 4.11Å; E391-N393 PolarHBondContact OE1-ND2 3.35Å; E391-N393 VanDerWaalsContact OE1-ND2 3.14Å; E391-S397 CarbonylContact O-C 3.56Å; E391-S397 WeakPolarHBondContact O-CA 3.34Å; E391-S397 VanDerWaalsContact O-CB 3.23Å; E391-S397 WeakPolarHBondContact O-CB 3.34Å; E391-E398 PolarHBondContact O-N 3.09Å
392	V	92.7	Very high	77.3	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.3	176.5	171.3	0	0	0	0	109.2	W241 M268 M298 R339 F340 L390	W241-V392 HydrophobicContact CZ2-CG1 3.93Å; M268-V392 HydrophobicContact CE-CG1 3.92Å; M298-V392 HydrophobicContact CE-CG2 3.64Å; R339-V392 WeakPolarHBondContact CA-O 3.14Å; R339-V392 WeakPolarHBondContact CG-O 3.28Å; F340-V392 HydrophobicContact CD1-CB 4.09Å; F340-V392 HydrophobicContact CD1-CG1 4.45Å; F340-V392 HydrophobicContact CD2-CB 4.38Å; F340-V392 HydrophobicContact CD2-CG2 4.45Å; F340-V392 HydrophobicContact CE1-CB 3.76Å; F340-V392 HydrophobicContact CE1-CG1 3.97Å; F340-V392 HydrophobicContact CE1-CG2 3.94Å; F340-V392 HydrophobicContact CE2-CB 4.09Å; F340-V392 HydrophobicContact CE2-CG2 3.73Å; F340-V392 HydrophobicContact CG-CB 4.4Å; F340-V392 HydrophobicContact CZ-CB 3.77Å; F340-V392 HydrophobicContact CZ-CG1 4.33Å; F340-V392 HydrophobicContact CZ-CG2 3.43Å; F340-V392 VanDerWaalsContact CZ-CG2 3.43Å; F340-V392 PolarHBondContact N-O 3.14Å; F340-V392 VanDerWaalsContact N-O 3.13Å; F340-V392 PolarHBondContact O-N 3.03Å; L390-V392 HydrophobicContact CD1-CG2 4.04Å; L390-V392 HydrophobicContact CD2-CG2 4.12Å; L390-V392 HydrophobicContact CG-CG2 3.97Å
393	N	91.3	Very high	74.1	Confident	16 Å²	16	29 Å²	29	9%	0.086	19%	0.19	C	C	.	.			trans	-142.9	-173.5	179.1	65.3	45.3	0	0	0	111.3	W241 R339 E391 E395 G396	W241-N393 PolarHBondContact NE1-O 3.15Å; R339-N393 HydrophobicContact CG-CB 4.23Å; E391-N393 PolarHBondContact OE1-ND2 3.35Å; E391-N393 VanDerWaalsContact OE1-ND2 3.14Å; N393-E395 VanDerWaalsContact C-N 3.25Å; N393-E395 PolarHBondContact O-N 3.33Å; N393-E395 WeakPolarHBondContact OD1-CB 3.06Å; N393-E395 PolarHBondContact OD1-N 2.99Å; N393-E395 VanDerWaalsContact OD1-N 3.09Å; N393-G396 CarbonylContact C-O 3.51Å; N393-G396 PolarHBondContact N-O 2.85Å; N393-G396 PolarHBondContact O-N 2.93Å; N393-G396 PolarHBondContact OD1-N 3.13Å; N393-G396 PolarHBondContact OD1-O 3.41Å
394	E	91.4	Very high	70.9	Confident	12 Å²	12	31.8 Å²	31.8	6%	0.056	22%	0.216	C	C	.	.	S	Bend	trans	-66.5	-27.8	-170.7	-66	93.3	132.6	0	0	113.3	K244 F245 M268 R339	K244-E394 WeakPolarHBondContact CA-O 3.27Å; K244-E394 WeakPolarHBondContact CB-O 3.21Å; F245-E394 HydrophobicContact CB-CB 3.84Å; F245-E394 HydrophobicContact CB-CG 3.92Å; F245-E394 PolarHBondContact N-O 2.03Å; M268-E394 HydrophobicContact CG-CG 3.99Å; M268-E394 HydrophobicContact SD-CB 4.27Å; M268-E394 HydrophobicContact SD-CG 3.74Å; M268-E394 PolarHBondContact SD-N 2.78Å; R339-E394 IonicContact CZ-OE1 3.65Å; R339-E394 IonicContact CZ-OE2 2.68Å; R339-E394 IonicContact NE-OE2 3.81Å; R339-E394 PolarHBondContact NE-OE2 3.33Å; R339-E394 VanDerWaalsContact NE-OE2 3.15Å; R339-E394 IonicContact NH2-OE1 3.81Å; R339-E394 PolarHBondContact NH2-OE1 2.82Å; R339-E394 IonicContact NH2-OE2 2.71Å; R339-E394 PolarHBondContact NH2-OE2 3.11Å
395	E	86.1	Confident	67.6	Low	14 Å²	14	38.8 Å²	38.8	7%	0.065	26%	0.258	C	S	.	.	S	Bend	trans	-83.9	-28.7	-178	-60.7	-80.2	-179	0	0	111.5	L240 W241 K244 K247 N393 A399	L240-E395 CarbonylContact C-O 3.59Å; L240-E395 WeakPolarHBondContact CA-O 3Å; L240-E395 HydrophobicContact CD2-CB 4.32Å; W241-E395 VanDerWaalsContact CD1-C 3.48Å; W241-E395 PolarHBondContact N-O 3.03Å; K244-E395 WeakPolarHBondContact CD-OE2 3.46Å; K244-E395 WeakPolarHBondContact CE-OE2 3.3Å; K244-E395 IonicContact NZ-OE2 2.81Å; K244-E395 PolarHBondContact NZ-OE2 3.01Å; K247-E395 WeakPolarHBondContact CE-OE1 3.34Å; K247-E395 IonicContact NZ-OE1 3.15Å; K247-E395 PolarHBondContact NZ-OE1 3.42Å; N393-E395 VanDerWaalsContact C-N 3.25Å; N393-E395 PolarHBondContact O-N 3.33Å; N393-E395 WeakPolarHBondContact OD1-CB 3.06Å; N393-E395 PolarHBondContact OD1-N 2.99Å; N393-E395 VanDerWaalsContact OD1-N 3.09Å; E395-A399 HydrophobicContact CB-CB 3.44Å; E395-A399 VanDerWaalsContact CB-CB 3.44Å; E395-A399 HydrophobicContact CG-CB 3.81Å
396	G	82.7	Confident	64.6	Low	0 Å²	0	43 Å²	43	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.7	-155.2	-168.8	0	0	0	0	0	113.2	G239 W241 N393	G239-G396 CarbonylContact O-C 3.58Å; G239-G396 WeakPolarHBondContact O-CA 3.4Å; W241-G396 VanDerWaalsContact NE1-CA 3.31Å; N393-G396 CarbonylContact C-O 3.51Å; N393-G396 PolarHBondContact N-O 2.85Å; N393-G396 PolarHBondContact O-N 2.93Å; N393-G396 PolarHBondContact OD1-N 3.13Å; N393-G396 PolarHBondContact OD1-O 3.41Å
397	S	73.8	Confident	61.6	Low	0 Å²	0	47.7 Å²	47.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	113.6	158.3	-61.7	0	0	0	0	109.4	K238 G239 Y291 E391	K238-S397 CarbonylContact C-O 3.49Å; K238-S397 WeakPolarHBondContact CA-O 3.46Å; K238-S397 VanDerWaalsContact CG-O 3.31Å; K238-S397 WeakPolarHBondContact CG-O 3.45Å; G239-S397 PolarHBondContact N-O 2.99Å; G239-S397 PolarHBondContact O-N 3.32Å; Y291-S397 PolarHBondContact OH-OG 3.03Å; E391-S397 CarbonylContact O-C 3.56Å; E391-S397 WeakPolarHBondContact O-CA 3.34Å; E391-S397 VanDerWaalsContact O-CB 3.23Å; E391-S397 WeakPolarHBondContact O-CB 3.34Å
398	E	55.8	Low	59.2	Low	29 Å²	29	53.1 Å²	53.1	14%	0.136	36%	0.358	C	S	.	.	S	Bend	trans	45.7	141.3	-165.2	-150.6	-169.3	107.4	0	0	117.2	R213 Y236 K238 E391	R213-E398 IonicContact CZ-OE1 3.78Å; R213-E398 IonicContact NE-OE1 3.07Å; R213-E398 PolarHBondContact NE-OE1 3.18Å; R213-E398 IonicContact NE-OE2 3.07Å; R213-E398 IonicContact NH2-OE1 3.36Å; Y236-E398 WeakPolarHBondContact CE2-OE2 3.45Å; Y236-E398 VanDerWaalsContact OH-CB 3.29Å; Y236-E398 WeakPolarHBondContact OH-CB 3.43Å; Y236-E398 PolarHBondContact OH-OE1 2.8Å; Y236-E398 PolarHBondContact OH-OE2 2.71Å; K238-E398 HydrophobicContact CB-CB 4.45Å; K238-E398 HydrophobicContact CD-CB 4.19Å; K238-E398 WeakPolarHBondContact CE-O 3.21Å; K238-E398 HydrophobicContact CG-CB 3.94Å; K238-E398 VanDerWaalsContact CG-O 3.24Å; K238-E398 WeakPolarHBondContact CG-O 3.08Å; K238-E398 IonicContact NZ-OE1 3.97Å; K238-E398 PolarHBondContact NZ-OE1 3.17Å; E391-E398 PolarHBondContact O-N 3.09Å
399	A	42.3	Very low	56.9	Low	29 Å²	29	56.3 Å²	56.3	24%	0.24	39%	0.392	C	S	.	.			trans	-154.3	172.7	-170.7	0	0	0	0	0	115.8	L240 E395	L240-A399 HydrophobicContact CD2-CB 4.36Å; E395-A399 HydrophobicContact CB-CB 3.44Å; E395-A399 VanDerWaalsContact CB-CB 3.44Å; E395-A399 HydrophobicContact CG-CB 3.81Å
400	A	27.7	Very low	54.8	Low	99 Å²	99	68.3 Å²	68.3	82%	0.818	44%	0.437	S	S	*	.			trans	-150.7	118.5	149.6	0	0	0	0	0	110.4
401	A	27.7	Very low	53.1	Low	85 Å²	85	73.3 Å²	73.3	70%	0.702	47%	0.472	S	S	*	.			trans	36.4	122.5	169.4	0	0	0	0	0	121.9
402	S	27.1	Very low	51.1	Low	75 Å²	75	77.1 Å²	77.1	52%	0.524	49%	0.493	S	S	.	.				-178.9	134.1	121.2	178.1	0	0	0	0	112.1
403	T	28.6	Very low	49.5	Very low	124 Å²	124	80.3 Å²	80.3	76%	0.761	51%	0.51	S	S	*	.			trans	-66.8	137.1	-177.3	40.4	0	0	0	0	114
404	A	27.5	Very low	47.9	Very low	84 Å²	84	87.2 Å²	87.2	69%	0.694	55%	0.546	S	S	*	.			trans	-133.1	134.2	159.9	0	0	0	0	0	109.3
405	V	26	Very low	46.7	Very low	147 Å²	147	93.8 Å²	93.8	89%	0.891	58%	0.582	S	S	*	*			trans	-89.6	126.3	178.1	177.9	0	0	0	0	108.3
406	V	33.1	Very low	46.2	Very low	107 Å²	107	95 Å²	95	65%	0.648	59%	0.586	S	S	*	*			trans	-109.7	128.6	171.8	-178.2	0	0	0	0	108.5
407	A	30.2	Very low	46.7	Very low	98 Å²	98	98.3 Å²	98.3	81%	0.81	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-76.8	124.7	175.3	0	0	0	0	0	110.1
408	V	42.3	Very low	47.7	Very low	127 Å²	127	104.7 Å²	104.7	77%	0.77	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-96.1	122.2	175.2	-169.1	0	0	0	0	109.1
409	G	44.2	Very low	49.7	Very low	68 Å²	68	103.3 Å²	103.3	70%	0.701	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-71.8	147.9	174	0	0	0	0	0	112.1	S411	G409-S411 PolarHBondContact O-N 3.03Å
410	R	42.3	Very low	52.3	Low	261 Å²	261	105.1 Å²	105.1	99%	0.985	63%	0.625	S	S	*	*	S	Bend	trans	-89.3	25.9	-172.7	-66.3	-175.7	174.9	-178.1	-1.9	115.4
411	S	51.4	Low	55.6	Low	106 Å²	106	100.4 Å²	100.4	74%	0.741	59%	0.586	S	S	*	*			trans	-113.9	123.5	177.1	-168.3	0	0	0	0	110.3	G409 N413	G409-S411 PolarHBondContact O-N 3.03Å; S411-N413 PolarHBondContact O-N 3.32Å; S411-N413 VanDerWaalsContact O-N 3.16Å
412	L	48.8	Very low	58.9	Low	138 Å²	138	96.7 Å²	96.7	72%	0.723	55%	0.554	S	S	*	*			trans	-65.7	110.7	168.7	-79.2	162.9	0	0	0	108.2	L414	L412-L414 PolarHBondContact O-N 2.94Å
413	N	58.1	Low	62.2	Low	67 Å²	67	94.3 Å²	94.3	36%	0.358	54%	0.535	S	S	.	.			trans	-77.4	108.9	170.6	-172.6	-2.7	0	0	0	108.2	S411 D415 R416	S411-N413 PolarHBondContact O-N 3.32Å; S411-N413 VanDerWaalsContact O-N 3.16Å; N413-D415 VanDerWaalsContact C-N 3.27Å; N413-D415 PolarHBondContact O-N 3.47Å; N413-D415 PolarHBondContact OD1-N 2.97Å; N413-R416 WeakPolarHBondContact O-CD 3.24Å; N413-R416 WeakPolarHBondContact O-CG 3.44Å
414	L	57.8	Low	65.4	Low	162 Å²	162	89.4 Å²	89.4	85%	0.848	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-19.6	-178.2	-72.9	166.2	0	0	0	112.8	L412	L412-L414 PolarHBondContact O-N 2.94Å
415	D	66.6	Low	68.8	Low	149 Å²	149	85.4 Å²	85.4	80%	0.797	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	22.4	-175.6	-61.9	-36.4	0	0	0	113	N413	N413-D415 VanDerWaalsContact C-N 3.27Å; N413-D415 PolarHBondContact O-N 3.47Å; N413-D415 PolarHBondContact OD1-N 2.97Å
416	R	76.2	Confident	72.2	Confident	41 Å²	41	78.5 Å²	78.5	16%	0.155	43%	0.43	C	S	.	.			trans	-89.3	144.7	180	72.8	-169.6	177.6	179.3	3.6	112.1	E271 S334 N413 Y418	E271-R416 VanDerWaalsContact OE1-CD 3.25Å; E271-R416 WeakPolarHBondContact OE1-CD 3.34Å; E271-R416 IonicContact OE1-CZ 2.74Å; E271-R416 IonicContact OE1-NE 3.72Å; E271-R416 IonicContact OE1-NH1 3.62Å; E271-R416 PolarHBondContact OE1-NH1 2.85Å; E271-R416 IonicContact OE2-CZ 3.09Å; E271-R416 IonicContact OE2-NH1 2.82Å; E271-R416 PolarHBondContact OE2-NH1 2.93Å; S334-R416 WeakPolarHBondContact OG-CD 3.45Å; S334-R416 PolarHBondContact OG-NE 3.3Å; N413-R416 WeakPolarHBondContact O-CD 3.24Å; N413-R416 WeakPolarHBondContact O-CG 3.44Å; R416-Y418 HydrophobicContact CG-CE2 4.13Å; R416-Y418 PolarHBondContact NE-OH 3.4Å; R416-Y418 PolarHBondContact NH2-OH 3.01Å
417	E	93.3	Very high	75.3	Confident	69 Å²	69	73.4 Å²	73.4	32%	0.322	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	150.8	174.8	-68.1	-72.8	161.4	0	0	110.5	Y276 T331 S332 V333 S334	Y276-E417 HydrophobicContact CD1-CB 4.09Å; Y276-E417 HydrophobicContact CD1-CG 4Å; Y276-E417 HydrophobicContact CE1-CB 3.55Å; Y276-E417 HydrophobicContact CE1-CG 3.42Å; Y276-E417 VanDerWaalsContact CE1-CG 3.42Å; Y276-E417 WeakPolarHBondContact CE1-OE2 3.48Å; Y276-E417 PolarHBondContact OH-OE2 3.06Å; T331-E417 HydrophobicContact CG2-CB 4.44Å; T331-E417 HydrophobicContact CG2-CG 3.86Å; S332-E417 PolarHBondContact O-N 3.34Å; V333-E417 CarbonylContact C-O 3.49Å; V333-E417 WeakPolarHBondContact CA-O 3.41Å; V333-E417 HydrophobicContact CG1-CB 4.37Å; V333-E417 HydrophobicContact CG2-CB 4.25Å; S334-E417 PolarHBondContact N-O 3.22Å
418	Y	94.6	Very high	78.5	Confident	133 Å²	133	68.9 Å²	68.9	52%	0.522	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.5	179.1	-65.6	-89.8	0	0	0	110	Q285 R416	Q285-Y418 PolarHBondContact NE2-O 3.46Å; R416-Y418 HydrophobicContact CG-CE2 4.13Å; R416-Y418 PolarHBondContact NE-OH 3.4Å; R416-Y418 PolarHBondContact NH2-OH 3.01Å
419	F	97.6	Very high	81	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	107.5	173.1	-171.3	-85.6	0	0	0	108.7	Y276 Q285 L287 I300 L302 V333 S334 T336 V337 A421	Y276-F419 HydrophobicContact CD2-CD2 4.41Å; Y276-F419 HydrophobicContact CE2-CD2 4.12Å; Q285-F419 HydrophobicContact CB-CD2 3.91Å; Q285-F419 HydrophobicContact CB-CE2 3.84Å; L287-F419 HydrophobicContact CB-CD1 4.22Å; L287-F419 HydrophobicContact CB-CD2 3.72Å; L287-F419 HydrophobicContact CB-CE1 4.06Å; L287-F419 HydrophobicContact CB-CE2 3.56Å; L287-F419 HydrophobicContact CB-CG 4.04Å; L287-F419 HydrophobicContact CB-CZ 3.73Å; L287-F419 HydrophobicContact CD2-CB 4.45Å; L287-F419 HydrophobicContact CD2-CD1 3.54Å; L287-F419 HydrophobicContact CD2-CD2 4.44Å; L287-F419 HydrophobicContact CD2-CE1 3.78Å; L287-F419 HydrophobicContact CD2-CG 3.89Å; L287-F419 HydrophobicContact CD2-CZ 4.32Å; L287-F419 HydrophobicContact CG-CD1 4.48Å; L287-F419 HydrophobicContact CG-CG 4.47Å; I300-F419 HydrophobicContact CB-CE1 4.2Å; I300-F419 HydrophobicContact CB-CZ 3.78Å; I300-F419 HydrophobicContact CD1-CE1 4.37Å; I300-F419 HydrophobicContact CG2-CE1 3.96Å; I300-F419 HydrophobicContact CG2-CZ 3.57Å; L302-F419 HydrophobicContact CB-CE2 3.77Å; L302-F419 HydrophobicContact CB-CZ 3.63Å; L302-F419 HydrophobicContact CD2-CD2 4.43Å; L302-F419 HydrophobicContact CD2-CE1 4.28Å; L302-F419 HydrophobicContact CD2-CE2 4.09Å; L302-F419 HydrophobicContact CD2-CZ 4.01Å; L302-F419 HydrophobicContact CG-CZ 4.44Å; V333-F419 HydrophobicContact CG1-CB 3.8Å; S334-F419 PolarHBondContact O-N 3.37Å; T336-F419 PolarHBondContact N-O 3.19Å; V337-F419 HydrophobicContact CG2-CD1 4.29Å; V337-F419 HydrophobicContact CG2-CE1 4.21Å; F419-A421 HydrophobicContact CE1-CB 4.04Å
420	L	97.3	Very high	83.4	Confident	67 Å²	67	60.5 Å²	60.5	35%	0.351	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	99.2	-176.8	174	62.2	0	0	0	109.5	L302 T336 D422	L302-L420 VanDerWaalsContact CD2-O 3.22Å; L302-L420 WeakPolarHBondContact CD2-O 3.49Å; T336-L420 HydrophobicContact CG2-CD1 3.62Å; L420-D422 HydrophobicContact CD1-CB 4.12Å; L420-D422 HydrophobicContact CD2-CB 4.34Å; L420-D422 WeakPolarHBondContact CD2-OD2 3.48Å; L420-D422 HydrophobicContact CG-CB 3.9Å; L420-D422 PolarHBondContact O-N 3.38Å
421	A	97.6	Very high	85.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.249	C	C	.	.			trans	-83.9	64.9	179.1	0	0	0	0	0	111.5	M267 L302 T336 V337 P338 F419 F425	M267-A421 WeakPolarHBondContact CE-O 3.26Å; L302-A421 HydrophobicContact CD1-CB 4.27Å; T336-A421 PolarHBondContact O-N 3.25Å; V337-A421 HydrophobicContact CG2-CB 4.35Å; P338-A421 WeakPolarHBondContact CD-O 3.35Å; F419-A421 HydrophobicContact CE1-CB 4.04Å; A421-F425 HydrophobicContact CB-CD1 3.88Å; A421-F425 HydrophobicContact CB-CE1 3.93Å
422	D	96.4	Very high	87.3	Confident	7 Å²	7	45.1 Å²	45.1	4%	0.037	23%	0.227	C	C	.	.			trans	-94.5	10.8	-179	69	-12.4	0	0	0	114.3	F255 F256 M267 K305 L420	F255-D422 CarbonylContact C-O 3.54Å; F255-D422 WeakPolarHBondContact CA-O 3.21Å; F255-D422 VanDerWaalsContact CD2-C 3.46Å; F256-D422 HydrophobicContact CD2-CB 4.46Å; F256-D422 WeakPolarHBondContact CD2-O 3.21Å; F256-D422 PolarHBondContact N-O 3.41Å; M267-D422 HydrophobicContact CE-CB 4.19Å; K305-D422 WeakPolarHBondContact CE-OD2 3.45Å; K305-D422 IonicContact NZ-OD1 3.47Å; K305-D422 IonicContact NZ-OD2 3.27Å; K305-D422 PolarHBondContact NZ-OD2 3.22Å; L420-D422 HydrophobicContact CD1-CB 4.12Å; L420-D422 HydrophobicContact CD2-CB 4.34Å; L420-D422 WeakPolarHBondContact CD2-OD2 3.48Å; L420-D422 HydrophobicContact CG-CB 3.9Å; L420-D422 PolarHBondContact O-N 3.38Å
423	H	96.2	Very high	89.1	Confident	25 Å²	25	40.8 Å²	40.8	12%	0.116	21%	0.206	C	C	.	.	S	Bend	trans	-157.1	169.4	-178.8	61.4	-80.8	0	0	0	109.9	F256 L302 P303 F425	F256-H423 HydrophobicContact CB-CB 4.38Å; F256-H423 WeakPolarHBondContact O-CA 3.47Å; L302-H423 VanDerWaalsContact CD1-CE1 3.5Å; L302-H423 WeakPolarHBondContact CD1-CE1 3.32Å; P303-H423 PolarHBondContact O-CE1 2.93Å; P303-H423 PolarHBondContact O-NE2 3.34Å; H423-F425 WeakPolarHBondContact O-CD1 3.03Å; H423-F425 PolarHBondContact O-N 3.46Å
424	P	96.9	Very high	90.4	Very high	21 Å²	21	37.6 Å²	37.6	14%	0.136	19%	0.189	C	C	.	.			trans	-49.8	132.3	-171.1	-32.7	34.6	0	0	0	115.5	F256 V257 P303 L309 V443 A444	F256-P424 WeakPolarHBondContact O-CD 3.29Å; V257-P424 WeakPolarHBondContact O-CG 3.12Å; P303-P424 WeakPolarHBondContact CD-O 3.34Å; L309-P424 HydrophobicContact CB-CB 4.45Å; L309-P424 HydrophobicContact CD2-CB 4.05Å; P424-V443 VanDerWaalsContact CA-O 3.31Å; P424-V443 WeakPolarHBondContact CA-O 3.06Å; P424-A444 HydrophobicContact CB-CB 4.46Å; P424-A444 HydrophobicContact CG-CB 4.48Å
425	F	97.6	Very high	91.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	159.2	-179.3	57	-95	0	0	0	112.7	F255 I300 I301 L302 P338 F340 A421 H423 V427 V443	F255-F425 HydrophobicContact CE2-CD1 4.42Å; F255-F425 HydrophobicContact CE2-CE1 4.06Å; I300-F425 HydrophobicContact CG2-CB 4.01Å; I300-F425 HydrophobicContact CG2-CD2 3.55Å; I300-F425 HydrophobicContact CG2-CE2 4.2Å; I300-F425 HydrophobicContact CG2-CG 3.9Å; I301-F425 WeakPolarHBondContact O-CB 3.44Å; L302-F425 HydrophobicContact CD1-CB 3.87Å; P338-F425 HydrophobicContact CG-CE1 3.79Å; P338-F425 HydrophobicContact CG-CZ 3.89Å; F340-F425 HydrophobicContact CD1-CZ 4.25Å; F340-F425 HydrophobicContact CE1-CE2 4.15Å; F340-F425 AromaticContact CE1-CZ 3.88Å; F340-F425 HydrophobicContact CE1-CZ 3.88Å; F340-F425 HydrophobicContact CZ-CE2 4.35Å; F340-F425 HydrophobicContact CZ-CZ 4.46Å; A421-F425 HydrophobicContact CB-CD1 3.88Å; A421-F425 HydrophobicContact CB-CE1 3.93Å; H423-F425 WeakPolarHBondContact O-CD1 3.03Å; H423-F425 PolarHBondContact O-N 3.46Å; F425-V427 HydrophobicContact CD2-CG2 3.59Å; F425-V427 HydrophobicContact CE2-CG2 3.39Å; F425-V443 HydrophobicContact CD2-CB 4.13Å; F425-V443 HydrophobicContact CD2-CG2 4.28Å; F425-V443 HydrophobicContact CE1-CB 4.06Å; F425-V443 HydrophobicContact CE1-CG1 4.12Å; F425-V443 HydrophobicContact CE2-CB 3.66Å; F425-V443 HydrophobicContact CE2-CG1 4.34Å; F425-V443 HydrophobicContact CE2-CG2 3.59Å; F425-V443 HydrophobicContact CZ-CB 3.61Å; F425-V443 HydrophobicContact CZ-CG1 3.79Å; F425-V443 HydrophobicContact CZ-CG2 3.87Å; F425-V443 PolarHBondContact N-O 3.03Å; F425-V443 PolarHBondContact O-N 2.94Å
426	L	97.7	Very high	93	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	144.3	169.6	-59.1	174.3	0	0	0	110.7	Y79 I300 I301 L309 V312 E313 L316 G441 R442	Y79-L426 HydrophobicContact CE1-CD2 4.11Å; Y79-L426 WeakPolarHBondContact OH-CD2 3.32Å; I300-L426 WeakPolarHBondContact CA-O 3.5Å; I301-L426 HydrophobicContact CB-CB 4.11Å; I301-L426 HydrophobicContact CD1-CD1 4.46Å; I301-L426 HydrophobicContact CG1-CB 4.45Å; I301-L426 PolarHBondContact N-O 3.23Å; I301-L426 PolarHBondContact O-N 2.9Å; L309-L426 HydrophobicContact CD1-CD1 4.24Å; L309-L426 HydrophobicContact CD1-CD2 4.21Å; L309-L426 HydrophobicContact CD1-CG 3.65Å; L309-L426 HydrophobicContact CD2-CD2 3.99Å; L309-L426 HydrophobicContact CD2-CG 4.27Å; L309-L426 HydrophobicContact CG-CD2 4.26Å; L309-L426 HydrophobicContact CG-CG 4.25Å; V312-L426 HydrophobicContact CG1-CD1 4.15Å; E313-L426 HydrophobicContact CG-CD1 4.32Å; E313-L426 HydrophobicContact CG-CD2 4.07Å; L316-L426 HydrophobicContact CD2-CD1 4.05Å; L426-G441 CarbonylContact C-O 3.54Å; L426-G441 WeakPolarHBondContact CA-O 3.44Å; L426-R442 HydrophobicContact CD2-CB 4.11Å
427	V	97.3	Very high	93.8	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.1	173.4	-179	0	0	0	0	108.8	M298 F340 L390 F425 I429 V440 G441 V443	M298-V427 HydrophobicContact CE-CG1 3.86Å; M298-V427 HydrophobicContact CG-CG1 3.77Å; M298-V427 HydrophobicContact SD-CG1 3.83Å; F340-V427 HydrophobicContact CZ-CG2 4.31Å; L390-V427 HydrophobicContact CD2-CG1 4.41Å; F425-V427 HydrophobicContact CD2-CG2 3.59Å; F425-V427 HydrophobicContact CE2-CG2 3.39Å; V427-I429 HydrophobicContact CG1-CG1 4.4Å; V427-V440 CarbonylContact O-C 3.58Å; V427-V440 WeakPolarHBondContact O-CA 3.21Å; V427-G441 PolarHBondContact N-O 3.42Å; V427-G441 PolarHBondContact O-N 3.49Å; V427-V443 HydrophobicContact CG2-CG2 3.83Å
428	I	97.5	Very high	93.8	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.015	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121	172.3	-62.7	177.2	0	0	0	107.9	M298 V299 I301 L321 R430 L437 F439 V440	M298-I428 CarbonylContact C-O 3.55Å; M298-I428 WeakPolarHBondContact CA-O 3.34Å; V299-I428 HydrophobicContact CB-CB 4.35Å; V299-I428 PolarHBondContact N-O 3Å; V299-I428 PolarHBondContact O-N 2.76Å; I301-I428 HydrophobicContact CD1-CD1 3.97Å; L321-I428 HydrophobicContact CD1-CD1 3.88Å; L321-I428 HydrophobicContact CD2-CD1 3.87Å; I428-R430 HydrophobicContact CG2-CB 4.45Å; I428-L437 HydrophobicContact CG2-CD2 3.68Å; I428-F439 WeakPolarHBondContact CA-O 3.12Å; I428-V440 HydrophobicContact CG1-CG1 4.45Å
429	I	95.8	Very high	93.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	122.3	169.4	-57.1	176	0	0	0	107.1	F237 Y291 I296 T297 M298 L390 V427 L438 F439	F237-I429 HydrophobicContact CD1-CD1 3.86Å; F237-I429 HydrophobicContact CE1-CD1 4.05Å; F237-I429 HydrophobicContact CE1-CG2 4.39Å; F237-I429 HydrophobicContact CZ-CG2 4.34Å; Y291-I429 HydrophobicContact CE2-CG2 4.39Å; I296-I429 HydrophobicContact CG2-CG2 3.63Å; T297-I429 WeakPolarHBondContact O-CA 3.45Å; M298-I429 HydrophobicContact CE-CD1 4.07Å; M298-I429 HydrophobicContact CE-CG1 4.16Å; M298-I429 HydrophobicContact CG-CG1 4.5Å; L390-I429 HydrophobicContact CD1-CD1 3.92Å; L390-I429 HydrophobicContact CD2-CD1 4.28Å; V427-I429 HydrophobicContact CG1-CG1 4.4Å; I429-L438 HydrophobicContact CG2-CB 4.48Å; I429-L438 HydrophobicContact CG2-CD1 4.46Å; I429-L438 WeakPolarHBondContact O-CA 3.47Å; I429-L438 WeakPolarHBondContact O-CB 3.46Å; I429-L438 PolarHBondContact O-N 3.44Å; I429-F439 HydrophobicContact CB-CB 4.03Å; I429-F439 HydrophobicContact CB-CD2 4.01Å; I429-F439 HydrophobicContact CB-CG 4.49Å; I429-F439 HydrophobicContact CD1-CB 4.28Å; I429-F439 HydrophobicContact CD1-CD2 4.14Å; I429-F439 HydrophobicContact CD1-CG 4.39Å; I429-F439 HydrophobicContact CG1-CB 4.3Å; I429-F439 HydrophobicContact CG2-CD2 4.28Å; I429-F439 PolarHBondContact N-O 3.17Å; I429-F439 PolarHBondContact O-N 3Å; I429-F439 VanDerWaalsContact O-N 3.07Å
430	R	93.8	Very high	93.8	Very high	19 Å²	19	14.9 Å²	14.9	7%	0.072	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	154	-175.1	68.3	176.7	-171.7	108.6	-6.2	112.5	E288 I296 T297 V299 I428 S432 N435 T436 L437	E288-R430 IonicContact OE1-CZ 3.96Å; E288-R430 IonicContact OE1-NE 3.38Å; E288-R430 PolarHBondContact OE1-NE 2.76Å; E288-R430 VanDerWaalsContact OE1-NE 3.07Å; E288-R430 IonicContact OE1-NH2 2.61Å; E288-R430 PolarHBondContact OE1-NH2 2.92Å; E288-R430 IonicContact OE2-NH2 2.68Å; E288-R430 PolarHBondContact OE2-NH2 3.39Å; I296-R430 VanDerWaalsContact CA-O 3.31Å; I296-R430 WeakPolarHBondContact CA-O 3.36Å; T297-R430 PolarHBondContact N-O 2.92Å; T297-R430 PolarHBondContact O-N 3.31Å; T297-R430 WeakPolarHBondContact OG1-CG 3.25Å; T297-R430 PolarHBondContact OG1-NE 3.08Å; V299-R430 HydrophobicContact CG2-CG 4.49Å; I428-R430 HydrophobicContact CG2-CB 4.45Å; R430-S432 PolarHBondContact NH1-O 3.04Å; R430-N435 PolarHBondContact NH1-OD1 3.08Å; R430-T436 CarbonylContact C-O 3.46Å; R430-T436 WeakPolarHBondContact CA-O 3.32Å; R430-T436 WeakPolarHBondContact CB-O 3.39Å; R430-L437 HydrophobicContact CB-CD2 4.36Å
431	E	90.9	Very high	93.8	Very high	5 Å²	5	11.7 Å²	11.7	2%	0.023	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	124.7	160.3	-163.7	-87	-167.2	0	0	108.5	R145 L146 D295 T433 L434 N435 T436	R145-E431 IonicContact CZ-OE1 3.32Å; R145-E431 VanDerWaalsContact CZ-OE1 3.23Å; R145-E431 IonicContact NE-OE1 2.71Å; R145-E431 PolarHBondContact NE-OE1 3Å; R145-E431 IonicContact NH2-OE1 2.84Å; R145-E431 PolarHBondContact NH2-OE1 2.98Å; L146-E431 HydrophobicContact CD2-CB 3.68Å; L146-E431 HydrophobicContact CD2-CG 3.62Å; D295-E431 CarbonylContact O-C 3.48Å; D295-E431 VanDerWaalsContact O-CA 3.26Å; D295-E431 WeakPolarHBondContact O-CA 3.35Å; D295-E431 WeakPolarHBondContact O-CG 3.31Å; E431-T433 PolarHBondContact O-N 3.34Å; E431-T433 WeakPolarHBondContact OE1-CB 2.84Å; E431-T433 WeakPolarHBondContact OE2-CA 3.46Å; E431-T433 WeakPolarHBondContact OE2-CB 3.48Å; E431-T433 PolarHBondContact OE2-N 3.44Å; E431-L434 WeakPolarHBondContact OE2-CB 3.31Å; E431-L434 WeakPolarHBondContact OE2-CG 3.27Å; E431-L434 PolarHBondContact OE2-N 3.09Å; E431-N435 WeakPolarHBondContact O-CA 3.41Å; E431-N435 PolarHBondContact O-N 3.13Å; E431-T436 PolarHBondContact N-O 2.8Å; E431-T436 PolarHBondContact O-N 3.38Å
432	S	86.4	Confident	93.7	Very high	38 Å²	38	12 Å²	12	27%	0.266	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-24.8	-164.3	61.8	0	0	0	0	113.9	D294 D295 R430	D294-S432 PolarHBondContact O-OG 2.71Å; D295-S432 PolarHBondContact O-N 3.45Å; D295-S432 PolarHBondContact O-OG 3.47Å; R430-S432 PolarHBondContact NH1-O 3.04Å
433	T	85.6	Confident	93.7	Very high	47 Å²	47	11.8 Å²	11.8	29%	0.288	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-39.9	-176.3	-55.3	0	0	0	0	112.3	V60 R145 E431	V60-T433 HydrophobicContact CG2-CG2 3.77Å; R145-T433 PolarHBondContact NH2-OG1 3.47Å; E431-T433 PolarHBondContact O-N 3.34Å; E431-T433 WeakPolarHBondContact OE1-CB 2.84Å; E431-T433 WeakPolarHBondContact OE2-CA 3.46Å; E431-T433 WeakPolarHBondContact OE2-CB 3.48Å; E431-T433 PolarHBondContact OE2-N 3.44Å
434	L	84.5	Confident	93.6	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.005	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-11.1	-177.3	-60.6	-176.2	0	0	0	112.7	V60 V64 S68 L142 E431 T436	V60-L434 HydrophobicContact CB-CD2 3.98Å; V60-L434 HydrophobicContact CG1-CD2 3.12Å; V60-L434 HydrophobicContact CG2-CD2 3.59Å; V64-L434 HydrophobicContact CG1-CD1 4.03Å; S68-L434 PolarHBondContact OG-O 3.47Å; L142-L434 HydrophobicContact CD1-CD1 3.59Å; E431-L434 WeakPolarHBondContact OE2-CB 3.31Å; E431-L434 WeakPolarHBondContact OE2-CG 3.27Å; E431-L434 PolarHBondContact OE2-N 3.09Å; L434-T436 WeakPolarHBondContact CB-OG1 3.24Å; L434-T436 PolarHBondContact O-N 2.74Å
435	N	88.3	Confident	93.4	Very high	65 Å²	65	10.5 Å²	10.5	35%	0.348	6%	0.059	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	31.1	-166.6	-63.9	-42.9	0	0	0	112.5	R430 E431 L437	R430-N435 PolarHBondContact NH1-OD1 3.08Å; E431-N435 WeakPolarHBondContact O-CA 3.41Å; E431-N435 PolarHBondContact O-N 3.13Å; N435-L437 PolarHBondContact O-N 3.48Å
436	T	91.2	Very high	93.1	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	120.1	179.6	-53.7	0	0	0	0	109.5	S68 L97 L142 R430 E431 L434 L438	S68-T436 WeakPolarHBondContact CB-OG1 3.32Å; S68-T436 WeakPolarHBondContact OG-CA 3.38Å; S68-T436 WeakPolarHBondContact OG-CB 3.36Å; S68-T436 PolarHBondContact OG-N 2.78Å; S68-T436 PolarHBondContact OG-OG1 2.68Å; L97-T436 HydrophobicContact CD1-CG2 4.28Å; L97-T436 HydrophobicContact CD2-CG2 4.2Å; L142-T436 HydrophobicContact CD2-CG2 4.38Å; R430-T436 CarbonylContact C-O 3.46Å; R430-T436 WeakPolarHBondContact CA-O 3.32Å; R430-T436 WeakPolarHBondContact CB-O 3.39Å; E431-T436 PolarHBondContact N-O 2.8Å; E431-T436 PolarHBondContact O-N 3.38Å; L434-T436 WeakPolarHBondContact CB-OG1 3.24Å; L434-T436 PolarHBondContact O-N 2.74Å; T436-L438 HydrophobicContact CG2-CD2 4.15Å; T436-L438 PolarHBondContact O-N 3.43Å
437	L	94.4	Very high	92.6	Very high	7 Å²	7	12.6 Å²	12.6	4%	0.037	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	108.2	173.8	-52.6	-171.3	0	0	0	109.3	N71 A75 L76 P96 L321 I428 R430 N435 V440	N71-L437 PolarHBondContact ND2-O 2.78Å; A75-L437 HydrophobicContact CB-CB 4.46Å; A75-L437 HydrophobicContact CB-CD1 3.92Å; L76-L437 HydrophobicContact CD2-CD1 4.4Å; L76-L437 HydrophobicContact CG-CD1 4.4Å; P96-L437 HydrophobicContact CG-CB 4.35Å; L321-L437 HydrophobicContact CD2-CD1 4.29Å; L321-L437 HydrophobicContact CD2-CD2 4.22Å; I428-L437 HydrophobicContact CG2-CD2 3.68Å; R430-L437 HydrophobicContact CB-CD2 4.36Å; N435-L437 PolarHBondContact O-N 3.48Å; L437-V440 HydrophobicContact CB-CG2 4.33Å; L437-V440 HydrophobicContact CD1-CG2 4.25Å
438	L	93.3	Very high	91.1	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-44.7	178.5	-56	-178.2	0	0	0	110.5	S95 L97 L146 I296 I429 T436	S95-L438 VanDerWaalsContact CA-O 3.26Å; S95-L438 WeakPolarHBondContact CA-O 3.37Å; S95-L438 VanDerWaalsContact CB-O 3.23Å; S95-L438 WeakPolarHBondContact CB-O 3.19Å; S95-L438 PolarHBondContact OG-O 2.7Å; L97-L438 HydrophobicContact CD2-CD2 3.64Å; L146-L438 HydrophobicContact CD1-CD2 3.63Å; L146-L438 HydrophobicContact CD2-CD2 3.89Å; L146-L438 HydrophobicContact CG-CD2 4.33Å; I296-L438 HydrophobicContact CD1-CD1 3.97Å; I296-L438 HydrophobicContact CG1-CD1 4.17Å; I296-L438 HydrophobicContact CG2-CD1 4.19Å; I429-L438 HydrophobicContact CG2-CB 4.48Å; I429-L438 HydrophobicContact CG2-CD1 4.46Å; I429-L438 WeakPolarHBondContact O-CA 3.47Å; I429-L438 WeakPolarHBondContact O-CB 3.46Å; I429-L438 PolarHBondContact O-N 3.44Å; T436-L438 HydrophobicContact CG2-CD2 4.15Å; T436-L438 PolarHBondContact O-N 3.43Å
439	F	95.3	Very high	89.2	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	146.3	176.6	-60.3	-96.4	0	0	0	110.7	F93 M94 L156 I235 F237 I428 I429	F93-F439 HydrophobicContact CD1-CD1 4.46Å; F93-F439 AromaticContact CE1-CD1 3.43Å; F93-F439 HydrophobicContact CE1-CD1 3.43Å; F93-F439 VanDerWaalsContact CE1-CD1 3.43Å; F93-F439 AromaticContact CE1-CE1 3.88Å; F93-F439 HydrophobicContact CE1-CE1 3.88Å; F93-F439 HydrophobicContact CE1-CG 4.24Å; F93-F439 HydrophobicContact CE2-CB 3.75Å; F93-F439 HydrophobicContact CE2-CD1 4.17Å; F93-F439 HydrophobicContact CE2-CG 4.27Å; F93-F439 HydrophobicContact CZ-CB 3.58Å; F93-F439 AromaticContact CZ-CD1 3.23Å; F93-F439 HydrophobicContact CZ-CD1 3.23Å; F93-F439 HydrophobicContact CZ-CE1 4.03Å; F93-F439 AromaticContact CZ-CG 3.58Å; F93-F439 HydrophobicContact CZ-CG 3.58Å; M94-F439 VanDerWaalsContact O-CA 3.3Å; M94-F439 WeakPolarHBondContact O-CA 3.47Å; L156-F439 HydrophobicContact CD1-CE2 3.66Å; L156-F439 HydrophobicContact CD1-CZ 3.71Å; I235-F439 HydrophobicContact CD1-CZ 4Å; I235-F439 HydrophobicContact CG1-CE1 4.37Å; I235-F439 HydrophobicContact CG1-CZ 3.89Å; I235-F439 HydrophobicContact CG2-CE1 3.58Å; I235-F439 HydrophobicContact CG2-CZ 4Å; F237-F439 HydrophobicContact CB-CD2 4.39Å; F237-F439 HydrophobicContact CB-CE1 4.48Å; F237-F439 HydrophobicContact CB-CE2 3.5Å; F237-F439 VanDerWaalsContact CB-CE2 3.5Å; F237-F439 HydrophobicContact CB-CZ 3.54Å; F237-F439 HydrophobicContact CD2-CE2 4.41Å; F237-F439 HydrophobicContact CG-CE2 4.04Å; I428-F439 WeakPolarHBondContact CA-O 3.12Å; I429-F439 HydrophobicContact CB-CB 4.03Å; I429-F439 HydrophobicContact CB-CD2 4.01Å; I429-F439 HydrophobicContact CB-CG 4.49Å; I429-F439 HydrophobicContact CD1-CB 4.28Å; I429-F439 HydrophobicContact CD1-CD2 4.14Å; I429-F439 HydrophobicContact CD1-CG 4.39Å; I429-F439 HydrophobicContact CG1-CB 4.3Å; I429-F439 HydrophobicContact CG2-CD2 4.28Å; I429-F439 PolarHBondContact N-O 3.17Å; I429-F439 PolarHBondContact O-N 3Å; I429-F439 VanDerWaalsContact O-N 3.07Å
440	V	96.9	Very high	88.9	Confident	2 Å²	2	27.9 Å²	27.9	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	135.7	172	-176.4	0	0	0	0	107.4	Y79 M94 P96 V427 I428 L437	Y79-V440 HydrophobicContact CD1-CG1 4.48Å; Y79-V440 HydrophobicContact CD2-CB 4.35Å; Y79-V440 HydrophobicContact CD2-CG1 3.53Å; Y79-V440 HydrophobicContact CE2-CG1 3.95Å; Y79-V440 HydrophobicContact CG-CG1 3.84Å; M94-V440 PolarHBondContact N-O 2.9Å; M94-V440 PolarHBondContact O-N 3.09Å; P96-V440 HydrophobicContact CG-CG2 4.16Å; V427-V440 CarbonylContact O-C 3.58Å; V427-V440 WeakPolarHBondContact O-CA 3.21Å; I428-V440 HydrophobicContact CG1-CG1 4.45Å; L437-V440 HydrophobicContact CB-CG2 4.33Å; L437-V440 HydrophobicContact CD1-CG2 4.25Å
441	G	95.6	Very high	88.6	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	168.8	178.6	0	0	0	0	0	114.5	I92 L426 V427	I92-G441 CarbonylContact O-C 3.56Å; I92-G441 WeakPolarHBondContact O-CA 3.41Å; L426-G441 CarbonylContact C-O 3.54Å; L426-G441 WeakPolarHBondContact CA-O 3.44Å; V427-G441 PolarHBondContact N-O 3.42Å; V427-G441 PolarHBondContact O-N 3.49Å
442	R	96	Very high	88.5	Confident	5 Å²	5	29.7 Å²	29.7	2%	0.019	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128.7	170.2	167.9	172.7	68.4	-155.8	14.7	108.4	Y79 T87 S90 N91 I92 L309 E313 L426 A444	Y79-R442 WeakPolarHBondContact OH-CB 3.42Å; T87-R442 PolarHBondContact O-NH2 3.45Å; S90-R442 PolarHBondContact O-NE 2.93Å; S90-R442 PolarHBondContact O-NH2 3.37Å; S90-R442 PolarHBondContact OG-NH2 3.12Å; N91-R442 WeakPolarHBondContact CA-O 3.33Å; I92-R442 HydrophobicContact CB-CB 4.29Å; I92-R442 PolarHBondContact N-O 2.93Å; I92-R442 PolarHBondContact O-N 3.25Å; L309-R442 HydrophobicContact CD2-CB 4.43Å; L309-R442 HydrophobicContact CD2-CG 3.65Å; E313-R442 WeakPolarHBondContact OE1-CD 3.39Å; E313-R442 IonicContact OE1-CZ 3.81Å; E313-R442 IonicContact OE1-NE 3.96Å; E313-R442 IonicContact OE1-NH1 3.17Å; E313-R442 PolarHBondContact OE1-NH1 2.8Å; E313-R442 IonicContact OE2-NH1 2.87Å; E313-R442 PolarHBondContact OE2-NH1 3.08Å; L426-R442 HydrophobicContact CD2-CB 4.11Å; R442-A444 HydrophobicContact CG-CB 3.91Å
443	V	96.1	Very high	88.6	Confident	4 Å²	4	29.2 Å²	29.2	2%	0.024	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	94.5	166.3	-174.6	0	0	0	0	106.2	F340 V342 P424 F425 V427 P446	F340-V443 HydrophobicContact CD2-CG1 4.42Å; F340-V443 HydrophobicContact CD2-CG2 4.03Å; F340-V443 HydrophobicContact CE1-CG2 4.38Å; F340-V443 HydrophobicContact CE2-CG2 3.65Å; F340-V443 HydrophobicContact CG-CG1 4.27Å; F340-V443 HydrophobicContact CZ-CG2 3.84Å; V342-V443 HydrophobicContact CG2-CG2 4.21Å; P424-V443 VanDerWaalsContact CA-O 3.31Å; P424-V443 WeakPolarHBondContact CA-O 3.06Å; F425-V443 HydrophobicContact CD2-CB 4.13Å; F425-V443 HydrophobicContact CD2-CG2 4.28Å; F425-V443 HydrophobicContact CE1-CB 4.06Å; F425-V443 HydrophobicContact CE1-CG1 4.12Å; F425-V443 HydrophobicContact CE2-CB 3.66Å; F425-V443 HydrophobicContact CE2-CG1 4.34Å; F425-V443 HydrophobicContact CE2-CG2 3.59Å; F425-V443 HydrophobicContact CZ-CB 3.61Å; F425-V443 HydrophobicContact CZ-CG1 3.79Å; F425-V443 HydrophobicContact CZ-CG2 3.87Å; F425-V443 PolarHBondContact N-O 3.03Å; F425-V443 PolarHBondContact O-N 2.94Å; V427-V443 HydrophobicContact CG2-CG2 3.83Å; V443-P446 HydrophobicContact CG1-CB 4.1Å
444	A	94.9	Very high	88.8	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-96	-37.1	177.8	0	0	0	0	0	111.6	P88 D89 N91 F255 V257 P424 R442	P88-A444 WeakPolarHBondContact O-CB 3.24Å; D89-A444 WeakPolarHBondContact O-CB 3.48Å; N91-A444 PolarHBondContact OD1-N 2.92Å; F255-A444 WeakPolarHBondContact CE1-O 3.41Å; V257-A444 VanDerWaalsContact CG1-O 3.32Å; V257-A444 WeakPolarHBondContact CG1-O 3.44Å; P424-A444 HydrophobicContact CB-CB 4.46Å; P424-A444 HydrophobicContact CG-CB 4.48Å; R442-A444 HydrophobicContact CG-CB 3.91Å
445	D	92.5	Very high	89.1	Confident	19 Å²	19	29.9 Å²	29.9	10%	0.102	15%	0.151	C	C	.	.			trans	-134.7	96.2	-178.2	-174	-17.4	0	0	0	110.3	N91 V257 R261 C447	N91-D445 PolarHBondContact ND2-O 3.17Å; N91-D445 PolarHBondContact OD1-N 2.85Å; V257-D445 HydrophobicContact CG1-CB 4.27Å; V257-D445 HydrophobicContact CG2-CB 4.49Å; R261-D445 IonicContact CZ-OD2 2.72Å; R261-D445 IonicContact NH1-OD2 2.76Å; R261-D445 PolarHBondContact NH1-OD2 2.91Å; R261-D445 IonicContact NH2-OD2 2.9Å; D445-C447 VanDerWaalsContact C-N 3.31Å; D445-C447 WeakPolarHBondContact OD1-CA 3.45Å; D445-C447 WeakPolarHBondContact OD1-CB 3.2Å; D445-C447 PolarHBondContact OD1-N 2.83Å; D445-C447 PolarHBondContact OD1-SG 3.19Å
446	P	91.2	Very high	89.1	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.006	14%	0.137	C	C	.	.			trans	-88.3	8.7	173.7	36.5	-36.6	0	0	0	113.4	F255 I265 F340 V443 Q449	F255-P446 HydrophobicContact CB-CG 4.45Å; F255-P446 HydrophobicContact CD1-CG 3.77Å; F255-P446 HydrophobicContact CD2-CG 3.8Å; F255-P446 HydrophobicContact CE1-CG 3.87Å; F255-P446 HydrophobicContact CE2-CG 3.89Å; F255-P446 HydrophobicContact CG-CG 3.73Å; F255-P446 HydrophobicContact CZ-CG 3.91Å; I265-P446 HydrophobicContact CD1-CB 4.26Å; I265-P446 HydrophobicContact CD1-CG 3.62Å; F340-P446 HydrophobicContact CB-CB 3.94Å; V443-P446 HydrophobicContact CG1-CB 4.1Å; P446-Q449 WeakPolarHBondContact O-CG 3.39Å; P446-Q449 PolarHBondContact O-NE2 2.91Å
447	C	86.5	Confident	89	Confident	45 Å²	45	29.5 Å²	29.5	30%	0.304	15%	0.147	S	C	.	.			trans	-76.1	-27.1	-172.6	-45.9	0	0	0	0	112.8	C263 D445 Q449	C263-C447 HydrophobicContact CB-CB 3.68Å; C263-C447 WeakPolarHBondContact CB-SG 3.33Å; C263-C447 WeakPolarHBondContact SG-CB 3.34Å; C263-C447 CovalentContact SG-SG 2.01Å; C263-C447 PolarHBondContact SG-SG 3.24Å; D445-C447 VanDerWaalsContact C-N 3.31Å; D445-C447 WeakPolarHBondContact OD1-CA 3.45Å; D445-C447 WeakPolarHBondContact OD1-CB 3.2Å; D445-C447 PolarHBondContact OD1-N 2.83Å; D445-C447 PolarHBondContact OD1-SG 3.19Å; C447-Q449 PolarHBondContact O-N 3.31Å
448	Q	66.8	Low	88.5	Confident	166 Å²	166	31.3 Å²	31.3	78%	0.776	16%	0.156	S	C	*	.			trans	-88.2	83.5	177.3	-61.6	-174.8	4.9	0	0	109.5
449	Q	57.1	Low	88.1	Confident	131 Å²	131	34 Å²	34	61%	0.612	17%	0.17	S	C	*	.			trans	-100.3	0	175.1	-75.4	179.8	38.4	0	0	112.8	R339 P446 C447	R339-Q449 PolarHBondContact O-NE2 3.19Å; P446-Q449 WeakPolarHBondContact O-CG 3.39Å; P446-Q449 PolarHBondContact O-NE2 2.91Å; C447-Q449 PolarHBondContact O-N 3.31Å

Retrieved 449 of 449 residues in 441.8 ms (Link to these results)

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