A0A096MZG9_PAPAN Loading...

5'-nucleotidase domain containing 2

AlphaFold DB , UniProt , Accession A0A096MZG9, Species PAPAN (Papio anubis, Olive baboon), Gene NT5DC2, Length 520 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	35.7	Very low	243 Å²	243	137.8 Å²	137.8	100%	1.197	73%	0.734	S	S	*	*				0	106.7	0	-164.2	-169.2	-69.2	0	0	107.6
2	R	25.3	Very low	35.8	Very low	241 Å²	241	129 Å²	129	91%	0.909	70%	0.701	S	S	*	*			trans	140.6	88.2	169.9	-86.9	-174.5	178.6	-176.7	0.3	107.6	E4	R2-E4 PolarHBondContact O-N 3.29Å
3	V	27	Very low	36.1	Very low	147 Å²	147	126.9 Å²	126.9	89%	0.891	69%	0.687	S	S	*	*			trans	-73.6	108.7	161.9	176	0	0	0	0	104.3	S5	V3-S5 PolarHBondContact O-N 3.34Å
4	E	31.8	Very low	36.6	Very low	181 Å²	181	123.1 Å²	123.1	85%	0.846	67%	0.665	S	S	*	*			trans	-69.2	125.4	170.4	-79.1	-176.3	161.2	0	0	108.5	R2 G6	R2-E4 PolarHBondContact O-N 3.29Å; E4-G6 PolarHBondContact O-N 2.82Å; E4-G6 VanDerWaalsContact O-N 3.13Å
5	S	39.5	Very low	36.8	Very low	109 Å²	109	120.7 Å²	120.7	76%	0.762	65%	0.651	S	S	*	*			trans	-65.9	99	174.9	47.2	0	0	0	0	110.1	V3 S7	V3-S5 PolarHBondContact O-N 3.34Å; S5-S7 PolarHBondContact O-N 2.87Å
6	G	40.3	Very low	36.9	Very low	65 Å²	65	121.8 Å²	121.8	67%	0.67	65%	0.651	S	S	*	*			trans	-54.9	115.1	156.7	0	0	0	0	0	108.7	E4	E4-G6 PolarHBondContact O-N 2.82Å; E4-G6 VanDerWaalsContact O-N 3.13Å
7	S	39.4	Very low	37.1	Very low	52 Å²	52	118.7 Å²	118.7	36%	0.364	64%	0.641	S	S	.	*			trans	-76.2	154.2	-154.2	71	0	0	0	0	113.4	S5 Q9 E10	S5-S7 PolarHBondContact O-N 2.87Å; S7-Q9 PolarHBondContact O-N 3.35Å; S7-Q9 VanDerWaalsContact OG-CB 3.29Å; S7-Q9 WeakPolarHBondContact OG-CB 3.28Å; S7-Q9 PolarHBondContact OG-N 2.91Å; S7-E10 PolarHBondContact O-N 2.73Å
8	A	39.3	Very low	37.4	Very low	87 Å²	87	113.3 Å²	113.3	72%	0.719	61%	0.612	S	S	*	*	H	α-helix	trans	-51.5	-15	170	0	0	0	0	0	114.1	G12	A8-G12 PolarHBondContact O-N 3.02Å
9	Q	36.3	Very low	37.4	Very low	146 Å²	146	109.7 Å²	109.7	68%	0.682	60%	0.599	S	S	*	*	H	α-helix	trans	-73.3	-34.6	176	-152.7	163.3	-4.6	0	0	112.6	S7 G12 I13	S7-Q9 PolarHBondContact O-N 3.35Å; S7-Q9 VanDerWaalsContact OG-CB 3.29Å; S7-Q9 WeakPolarHBondContact OG-CB 3.28Å; S7-Q9 PolarHBondContact OG-N 2.91Å; Q9-G12 PolarHBondContact O-N 3.36Å; Q9-I13 WeakPolarHBondContact O-CD1 3.47Å; Q9-I13 VanDerWaalsContact O-CG1 3.29Å; Q9-I13 WeakPolarHBondContact O-CG1 3.26Å; Q9-I13 PolarHBondContact O-N 3.38Å; Q9-I13 VanDerWaalsContact O-N 3.08Å
10	E	39.6	Very low	37.4	Very low	124 Å²	124	107.8 Å²	107.8	58%	0.579	59%	0.591	S	S	*	*	H	α-helix	trans	-71.5	-35.4	173.7	-70.2	178.3	152.3	0	0	111.4	S7 L14	S7-E10 PolarHBondContact O-N 2.73Å; E10-L14 WeakPolarHBondContact O-CB 3.33Å; E10-L14 PolarHBondContact O-N 3.49Å
11	R	39.6	Very low	37.5	Very low	121 Å²	121	106.1 Å²	106.1	46%	0.457	58%	0.581	S	S	.	*	H	α-helix	trans	-63.6	-42.4	169.4	-79.3	-173.3	-174.2	-168	0.4	111.9	L14 L15 Y414 D416	R11-L14 PolarHBondContact O-N 3.25Å; R11-L15 VanDerWaalsContact O-CB 3.27Å; R11-L15 WeakPolarHBondContact O-CB 2.99Å; R11-L15 WeakPolarHBondContact O-CD1 3.46Å; R11-L15 VanDerWaalsContact O-CG 3.25Å; R11-L15 WeakPolarHBondContact O-CG 3.37Å; R11-L15 PolarHBondContact O-N 2.77Å; R11-Y414 HydrophobicContact CG-CE1 4.31Å; R11-D416 IonicContact NH1-OD2 3.48Å
12	G	36.7	Very low	37.7	Very low	32 Å²	32	98.7 Å²	98.7	33%	0.33	55%	0.546	S	S	.	.	H	α-helix	trans	-61.4	-45	178.4	0	0	0	0	0	112.9	A8 Q9 L15 E16	A8-G12 PolarHBondContact O-N 3.02Å; Q9-G12 PolarHBondContact O-N 3.36Å; G12-L15 PolarHBondContact O-N 3.14Å; G12-E16 WeakPolarHBondContact O-CB 3.34Å; G12-E16 PolarHBondContact O-N 2.79Å
13	I	40.9	Very low	38.2	Very low	102 Å²	102	93.8 Å²	93.8	52%	0.523	53%	0.533	S	S	.	.	H	α-helix	trans	-69.6	-36.9	-179	-65.3	164.1	0	0	0	111.7	Q9 S17	Q9-I13 WeakPolarHBondContact O-CD1 3.47Å; Q9-I13 VanDerWaalsContact O-CG1 3.29Å; Q9-I13 WeakPolarHBondContact O-CG1 3.26Å; Q9-I13 PolarHBondContact O-N 3.38Å; Q9-I13 VanDerWaalsContact O-N 3.08Å; I13-S17 VanDerWaalsContact O-CB 3.27Å; I13-S17 WeakPolarHBondContact O-CB 3.16Å; I13-S17 PolarHBondContact O-N 3.01Å; I13-S17 PolarHBondContact O-OG 3.25Å
14	L	41.9	Very low	38.8	Very low	73 Å²	73	94.1 Å²	94.1	38%	0.382	52%	0.523	S	S	.	.	H	α-helix	trans	-70.4	-40.6	175.1	-102.2	149.2	0	0	0	112.2	E10 R11 S17 L18	E10-L14 WeakPolarHBondContact O-CB 3.33Å; E10-L14 PolarHBondContact O-N 3.49Å; R11-L14 PolarHBondContact O-N 3.25Å; L14-S17 PolarHBondContact O-N 3.46Å; L14-L18 VanDerWaalsContact O-CB 3.26Å; L14-L18 WeakPolarHBondContact O-CB 3.19Å; L14-L18 VanDerWaalsContact O-CG 3.29Å; L14-L18 WeakPolarHBondContact O-CG 3.43Å; L14-L18 PolarHBondContact O-N 3.08Å
15	L	40.1	Very low	39.1	Very low	87 Å²	87	89.7 Å²	89.7	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-69.6	-38.3	176.2	-74.9	166.1	0	0	0	111.9	R11 G12 L18 A19	R11-L15 VanDerWaalsContact O-CB 3.27Å; R11-L15 WeakPolarHBondContact O-CB 2.99Å; R11-L15 WeakPolarHBondContact O-CD1 3.46Å; R11-L15 VanDerWaalsContact O-CG 3.25Å; R11-L15 WeakPolarHBondContact O-CG 3.37Å; R11-L15 PolarHBondContact O-N 2.77Å; G12-L15 PolarHBondContact O-N 3.14Å; L15-L18 PolarHBondContact O-N 3.48Å; L15-A19 WeakPolarHBondContact O-CB 3.24Å; L15-A19 PolarHBondContact O-N 2.93Å
16	E	38.6	Very low	38.8	Very low	139 Å²	139	89.5 Å²	89.5	65%	0.65	50%	0.502	S	S	*	.	H	α-helix	trans	-65.5	-41.8	171.2	-87.1	-177.9	150.3	0	0	111.5	G12 L18 A19 T20	G12-E16 WeakPolarHBondContact O-CB 3.34Å; G12-E16 PolarHBondContact O-N 2.79Å; E16-L18 VanDerWaalsContact C-N 3.33Å; E16-L18 PolarHBondContact O-N 3.44Å; E16-A19 PolarHBondContact O-N 3.16Å; E16-T20 VanDerWaalsContact O-CB 3.31Å; E16-T20 WeakPolarHBondContact O-CB 3.47Å; E16-T20 PolarHBondContact O-N 3.14Å; E16-T20 PolarHBondContact O-OG1 3Å
17	S	40.8	Very low	38.4	Very low	69 Å²	69	90.5 Å²	90.5	48%	0.483	50%	0.504	S	S	.	.	H	α-helix	trans	-65.3	-37	176.4	-62.6	0	0	0	0	112	I13 L14 L21	I13-S17 VanDerWaalsContact O-CB 3.27Å; I13-S17 WeakPolarHBondContact O-CB 3.16Å; I13-S17 PolarHBondContact O-N 3.01Å; I13-S17 PolarHBondContact O-OG 3.25Å; L14-S17 PolarHBondContact O-N 3.46Å; S17-L21 WeakPolarHBondContact O-CB 3.38Å; S17-L21 PolarHBondContact O-N 2.89Å
18	L	41.3	Very low	38.3	Very low	22 Å²	22	92.3 Å²	92.3	12%	0.115	52%	0.517	C	S	.	.	H	α-helix	trans	-73.6	-39.6	175.5	-80.8	167.1	0	0	0	112.6	L14 L15 E16 T20 L21 L22 W426	L14-L18 VanDerWaalsContact O-CB 3.26Å; L14-L18 WeakPolarHBondContact O-CB 3.19Å; L14-L18 VanDerWaalsContact O-CG 3.29Å; L14-L18 WeakPolarHBondContact O-CG 3.43Å; L14-L18 PolarHBondContact O-N 3.08Å; L15-L18 PolarHBondContact O-N 3.48Å; E16-L18 VanDerWaalsContact C-N 3.33Å; E16-L18 PolarHBondContact O-N 3.44Å; L18-T20 VanDerWaalsContact C-N 3.32Å; L18-L21 CarbonylContact O-C 3.59Å; L18-L21 WeakPolarHBondContact O-CB 3.36Å; L18-L21 PolarHBondContact O-N 3.24Å; L18-L21 VanDerWaalsContact O-N 3.15Å; L18-L22 WeakPolarHBondContact O-CB 3.46Å; L18-L22 VanDerWaalsContact O-CG 3.26Å; L18-L22 WeakPolarHBondContact O-CG 3.49Å; L18-L22 PolarHBondContact O-N 2.93Å; L18-W426 HydrophobicContact CD1-CH2 3.94Å; L18-W426 HydrophobicContact CD1-CZ2 4.23Å; L18-W426 HydrophobicContact CD2-CH2 3.96Å; L18-W426 HydrophobicContact CD2-CZ2 3.62Å
19	A	37.9	Very low	38	Very low	45 Å²	45	96.9 Å²	96.9	37%	0.372	52%	0.523	S	S	.	.	H	α-helix	trans	-63.4	-40.6	173	0	0	0	0	0	110.8	L15 E16 L21 L22 E23	L15-A19 WeakPolarHBondContact O-CB 3.24Å; L15-A19 PolarHBondContact O-N 2.93Å; E16-A19 PolarHBondContact O-N 3.16Å; A19-L21 VanDerWaalsContact C-N 3.27Å; A19-L21 PolarHBondContact O-N 3.41Å; A19-L22 PolarHBondContact O-N 3.21Å; A19-E23 WeakPolarHBondContact O-CB 3.15Å; A19-E23 WeakPolarHBondContact O-CG 3.18Å; A19-E23 PolarHBondContact O-N 3.08Å
20	T	38.4	Very low	37.8	Very low	71 Å²	71	99 Å²	99	44%	0.436	53%	0.533	S	S	.	.	H	α-helix	trans	-65.9	-30.3	173.7	-48.6	0	0	0	0	112	E16 L18 K24	E16-T20 VanDerWaalsContact O-CB 3.31Å; E16-T20 WeakPolarHBondContact O-CB 3.47Å; E16-T20 PolarHBondContact O-N 3.14Å; E16-T20 PolarHBondContact O-OG1 3Å; L18-T20 VanDerWaalsContact C-N 3.32Å; T20-K24 WeakPolarHBondContact O-CD 3.21Å; T20-K24 VanDerWaalsContact O-CG 3.29Å; T20-K24 WeakPolarHBondContact O-CG 3.31Å
21	L	38.6	Very low	37.2	Very low	73 Å²	73	96.9 Å²	96.9	38%	0.382	54%	0.544	S	S	.	.	H	α-helix	trans	-74.5	-38.2	174.2	-145.9	88.6	0	0	0	111.7	S17 L18 A19 T25 W400	S17-L21 WeakPolarHBondContact O-CB 3.38Å; S17-L21 PolarHBondContact O-N 2.89Å; L18-L21 CarbonylContact O-C 3.59Å; L18-L21 WeakPolarHBondContact O-CB 3.36Å; L18-L21 PolarHBondContact O-N 3.24Å; L18-L21 VanDerWaalsContact O-N 3.15Å; A19-L21 VanDerWaalsContact C-N 3.27Å; A19-L21 PolarHBondContact O-N 3.41Å; L21-T25 PolarHBondContact O-N 2.94Å; L21-T25 PolarHBondContact O-OG1 3.45Å; L21-W400 HydrophobicContact CD2-CH2 4.2Å; L21-W400 HydrophobicContact CD2-CZ3 4.42Å
22	L	37.8	Very low	37.1	Very low	86 Å²	86	97.1 Å²	97.1	45%	0.45	56%	0.561	S	S	.	*	H	α-helix	trans	-76.7	-35.9	-179.5	-74.3	164.6	0	0	0	113	L18 A19 K24 T25 T26	L18-L22 WeakPolarHBondContact O-CB 3.46Å; L18-L22 VanDerWaalsContact O-CG 3.26Å; L18-L22 WeakPolarHBondContact O-CG 3.49Å; L18-L22 PolarHBondContact O-N 2.93Å; A19-L22 PolarHBondContact O-N 3.21Å; L22-K24 VanDerWaalsContact C-N 3.27Å; L22-K24 PolarHBondContact O-N 3.46Å; L22-T25 WeakPolarHBondContact CA-OG1 3.3Å; L22-T25 PolarHBondContact O-N 2.94Å; L22-T25 PolarHBondContact O-OG1 3.43Å; L22-T25 VanDerWaalsContact O-OG1 3.06Å; L22-T26 WeakPolarHBondContact O-CB 3.35Å; L22-T26 WeakPolarHBondContact O-CG2 3.39Å; L22-T26 PolarHBondContact O-N 3.06Å; L22-T26 PolarHBondContact O-OG1 3.22Å
23	E	36.5	Very low	37.2	Very low	139 Å²	139	100.1 Å²	100.1	65%	0.65	58%	0.583	S	S	*	*	H	α-helix	trans	-64.9	-33.8	172	-79.6	-176.7	164.7	0	0	111.2	A19 A27	A19-E23 WeakPolarHBondContact O-CB 3.15Å; A19-E23 WeakPolarHBondContact O-CG 3.18Å; A19-E23 PolarHBondContact O-N 3.08Å; E23-A27 VanDerWaalsContact O-CB 3.28Å; E23-A27 WeakPolarHBondContact O-CB 3.4Å; E23-A27 PolarHBondContact O-N 3.3Å
24	K	39.3	Very low	36.9	Very low	154 Å²	154	101.4 Å²	101.4	67%	0.67	60%	0.601	S	S	*	*	H	α-helix	trans	-72.8	-24	175.9	-75.4	177.8	-179	-178.9	0	113.9	T20 L22	T20-K24 WeakPolarHBondContact O-CD 3.21Å; T20-K24 VanDerWaalsContact O-CG 3.29Å; T20-K24 WeakPolarHBondContact O-CG 3.31Å; L22-K24 VanDerWaalsContact C-N 3.27Å; L22-K24 PolarHBondContact O-N 3.46Å
25	T	37.7	Very low	36.3	Very low	88 Å²	88	101.2 Å²	101.2	54%	0.54	62%	0.617	S	S	.	*	H	α-helix	trans	-93.8	-24.4	176.7	46.6	0	0	0	0	113.6	L21 L22 S28	L21-T25 PolarHBondContact O-N 2.94Å; L21-T25 PolarHBondContact O-OG1 3.45Å; L22-T25 WeakPolarHBondContact CA-OG1 3.3Å; L22-T25 PolarHBondContact O-N 2.94Å; L22-T25 PolarHBondContact O-OG1 3.43Å; L22-T25 VanDerWaalsContact O-OG1 3.06Å; T25-S28 PolarHBondContact O-OG 2.88Å
26	T	33.1	Very low	36	Very low	105 Å²	105	104.3 Å²	104.3	64%	0.644	63%	0.634	S	S	*	*	H	α-helix	trans	-87.6	-20.3	178.5	50.2	0	0	0	0	113.7	L22 S28	L22-T26 WeakPolarHBondContact O-CB 3.35Å; L22-T26 WeakPolarHBondContact O-CG2 3.39Å; L22-T26 PolarHBondContact O-N 3.06Å; L22-T26 PolarHBondContact O-OG1 3.22Å; T26-S28 VanDerWaalsContact C-N 3.27Å; T26-S28 PolarHBondContact O-N 2.92Å
27	A	33.2	Very low	35.8	Very low	85 Å²	85	107.8 Å²	107.8	70%	0.702	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	8.1	179.5	0	0	0	0	0	115.7	E23	E23-A27 VanDerWaalsContact O-CB 3.28Å; E23-A27 WeakPolarHBondContact O-CB 3.4Å; E23-A27 PolarHBondContact O-N 3.3Å
28	S	36.9	Very low	35.3	Very low	91 Å²	91	106.9 Å²	106.9	64%	0.636	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	17.3	-177.7	63	0	0	0	0	115.6	T25 T26	T25-S28 PolarHBondContact O-OG 2.88Å; T26-S28 VanDerWaalsContact C-N 3.27Å; T26-S28 PolarHBondContact O-N 2.92Å
29	H	33.6	Very low	35	Very low	182 Å²	182	111 Å²	111	84%	0.843	66%	0.664	S	S	*	*	S	Bend	trans	-116.7	66.4	171.6	-91.9	-47.3	0	0	0	112.1
30	E	31	Very low	34.8	Very low	192 Å²	192	112.4 Å²	112.4	90%	0.897	67%	0.668	S	S	*	*	S	Bend	trans	-167.2	116.1	151.2	-104.4	170	-154.1	0	0	106.3
31	G	27.4	Very low	34.6	Very low	78 Å²	78	115.4 Å²	115.4	80%	0.804	68%	0.682	S	S	*	*			trans	-76.6	-166	-168.9	0	0	0	0	0	114.8
32	P	37.2	Very low	34.5	Very low	127 Å²	127	118.8 Å²	118.8	83%	0.825	70%	0.699	S	S	*	*			cis	-115	162.9	-27.5	36.2	-21.9	0	0	0	112.3
33	A	38.2	Very low	34.5	Very low	95 Å²	95	117.6 Å²	117.6	79%	0.785	69%	0.693	S	S	*	*	S	Bend	trans	57.6	90.1	160.1	0	0	0	0	0	118.3
34	S	34.3	Very low	34.4	Very low	129 Å²	129	114.4 Å²	114.4	90%	0.902	68%	0.684	S	S	*	*				158	132	130	54	0	0	0	0	109.8
35	G	30	Very low	34.3	Very low	69 Å²	69	112.7 Å²	112.7	71%	0.711	69%	0.689	S	S	*	*			trans	124.1	51.7	166.9	0	0	0	0	0	116.4	R37	G35-R37 PolarHBondContact O-N 3.01Å
36	N	34.7	Very low	34.3	Very low	151 Å²	151	117.4 Å²	117.4	81%	0.807	71%	0.705	S	S	*	*			trans	-76.3	46.8	167.8	-139.1	19.5	0	0	0	111.7
37	R	34.1	Very low	34.7	Very low	212 Å²	212	114.8 Å²	114.8	80%	0.8	69%	0.689	S	S	*	*			trans	-115.6	3.7	-171.8	-80.6	-170.2	-176.9	-172.6	1.2	115.1	G35	G35-R37 PolarHBondContact O-N 3.01Å
38	G	30.4	Very low	35.3	Very low	51 Å²	51	115.6 Å²	115.6	53%	0.526	69%	0.688	S	S	.	*	S	Bend	trans	-96.2	-25	-178	0	0	0	0	0	115.5
39	L	35	Very low	36.3	Very low	108 Å²	108	114 Å²	114	57%	0.565	68%	0.677	S	S	*	*	S	Bend	trans	-96.8	-22.6	-177.2	-114.9	87.9	0	0	0	113.4	D41	L39-D41 VanDerWaalsContact C-N 3.33Å; L39-D41 PolarHBondContact O-N 3.26Å
40	T	33.6	Very low	38.1	Very low	75 Å²	75	110.3 Å²	110.3	46%	0.46	66%	0.663	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.7	-21.5	-176.1	43.6	0	0	0	0	113.8	L43	T40-L43 VanDerWaalsContact O-O 3.06Å
41	D	34.1	Very low	40.5	Very low	134 Å²	134	103.3 Å²	103.3	72%	0.717	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-10.7	-174.8	-69.1	-13.1	0	0	0	113.9	L39	L39-D41 VanDerWaalsContact C-N 3.33Å; L39-D41 PolarHBondContact O-N 3.26Å
42	L	36.7	Very low	43.3	Very low	143 Å²	143	101.4 Å²	101.4	75%	0.749	60%	0.602	S	S	*	*	S	Bend	trans	-93.4	-10.4	175.6	-74.9	167.9	0	0	0	113.2
43	L	37.3	Very low	45.8	Very low	62 Å²	62	96.8 Å²	96.8	33%	0.325	57%	0.572	S	S	.	*	S	Bend	trans	-108.1	122	175	-66.8	167.6	0	0	0	106.6	T40 P45 T399	T40-L43 VanDerWaalsContact O-O 3.06Å; L43-P45 VanDerWaalsContact O-CD 3.22Å; L43-P45 WeakPolarHBondContact O-CD 3.26Å; L43-T399 HydrophobicContact CD2-CG2 4.09Å
44	P	35.2	Very low	48.3	Very low	71 Å²	71	93.3 Å²	93.3	46%	0.461	54%	0.544	S	S	.	.			trans	-53.2	117.7	171.9	17.7	-27.6	0	0	0	109	E46 V47	P44-E46 PolarHBondContact O-N 3.26Å; P44-V47 HydrophobicContact CB-CB 4.26Å; P44-V47 HydrophobicContact CB-CG2 3.75Å; P44-V47 HydrophobicContact CG-CB 4.08Å; P44-V47 HydrophobicContact CG-CG2 4.02Å; P44-V47 PolarHBondContact O-N 3.46Å
45	P	35.9	Very low	51	Low	119 Å²	119	87.2 Å²	87.2	77%	0.773	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-2.3	-162	-24.1	33.9	0	0	0	116.6	L43	L43-P45 VanDerWaalsContact O-CD 3.22Å; L43-P45 WeakPolarHBondContact O-CD 3.26Å
46	E	38.5	Very low	54.2	Low	187 Å²	187	84.4 Å²	84.4	87%	0.874	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.1	13.9	-170.8	-67.8	-178.1	156.1	0	0	114.1	P44	P44-E46 PolarHBondContact O-N 3.26Å
47	V	41.3	Very low	57	Low	50 Å²	50	78.8 Å²	78.8	30%	0.303	44%	0.438	S	S	.	.			trans	-103.8	-19.5	-167.9	169	0	0	0	0	114.8	P44 S49 L503	P44-V47 HydrophobicContact CB-CB 4.26Å; P44-V47 HydrophobicContact CB-CG2 3.75Å; P44-V47 HydrophobicContact CG-CB 4.08Å; P44-V47 HydrophobicContact CG-CG2 4.02Å; P44-V47 PolarHBondContact O-N 3.46Å; V47-S49 PolarHBondContact O-N 3.46Å; V47-L503 HydrophobicContact CB-CD2 3.78Å; V47-L503 HydrophobicContact CG1-CD2 3.17Å; V47-L503 HydrophobicContact CG1-CG 3.63Å; V47-L503 HydrophobicContact CG2-CD2 3.31Å
48	C	45.9	Very low	59.9	Low	102 Å²	102	69.7 Å²	69.7	69%	0.689	41%	0.407	S	S	*	.			trans	-91.9	75.6	174.2	-71.3	0	0	0	0	110.1	L50	C48-L50 PolarHBondContact O-N 3.3Å
49	S	57.4	Low	62.9	Low	56 Å²	56	68.8 Å²	68.8	39%	0.392	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-57.5	118.1	164.6	60.2	0	0	0	0	108.1	V47 L51 G506	V47-S49 PolarHBondContact O-N 3.46Å; S49-L51 PolarHBondContact O-N 3.36Å; S49-G506 WeakPolarHBondContact OG-CA 3.38Å; S49-G506 PolarHBondContact OG-O 3.36Å
50	L	72.1	Confident	65.7	Low	106 Å²	106	66.4 Å²	66.4	56%	0.555	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-51.1	134.4	177	-62.8	175.3	0	0	0	109.7	C48 N52 N390 M395	C48-L50 PolarHBondContact O-N 3.3Å; L50-N52 PolarHBondContact O-N 3.13Å; L50-N390 HydrophobicContact CD2-CB 3.94Å; L50-M395 HydrophobicContact CD2-CE 4.37Å
51	L	82.2	Confident	68.6	Low	44 Å²	44	68.3 Å²	68.3	23%	0.23	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-65.7	134.4	179.2	-67.9	174.7	0	0	0	109.4	S49 P53 I386 I389 N390	S49-L51 PolarHBondContact O-N 3.36Å; L51-P53 VanDerWaalsContact O-CD 3.31Å; L51-P53 WeakPolarHBondContact O-CD 3.44Å; L51-I386 HydrophobicContact CB-CG2 3.7Å; L51-I386 WeakPolarHBondContact O-CG2 3.38Å; L51-I389 HydrophobicContact CD1-CG2 4.12Å; L51-N390 PolarHBondContact N-OD1 3.19Å; L51-N390 PolarHBondContact O-ND2 2.79Å
52	N	85.3	Confident	71.6	Confident	38 Å²	38	62.1 Å²	62.1	20%	0.203	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-78.9	119.1	178	179.8	1.7	0	0	0	110	L50 A54 A55 Y57 C507	L50-N52 PolarHBondContact O-N 3.13Å; N52-A54 PolarHBondContact O-N 2.71Å; N52-A54 PolarHBondContact OD1-N 3.36Å; N52-A55 HydrophobicContact CB-CB 4.15Å; N52-A55 VanDerWaalsContact O-CB 3.26Å; N52-A55 WeakPolarHBondContact O-CB 3.45Å; N52-A55 PolarHBondContact O-N 3.24Å; N52-A55 VanDerWaalsContact O-N 3.09Å; N52-Y57 PolarHBondContact O-OH 3.02Å; N52-C507 HydrophobicContact CB-CB 4.45Å
53	P	89.8	Confident	74.4	Confident	30 Å²	30	56.4 Å²	56.4	20%	0.195	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.9	177.3	-20.1	31.8	0	0	0	114.1	L51 E383 I386 R387	L51-P53 VanDerWaalsContact O-CD 3.31Å; L51-P53 WeakPolarHBondContact O-CD 3.44Å; P53-E383 HydrophobicContact CB-CB 4.47Å; P53-E383 HydrophobicContact CB-CG 3.96Å; P53-I386 HydrophobicContact CB-CB 4.46Å; P53-I386 HydrophobicContact CB-CG2 4.26Å; P53-I386 HydrophobicContact CG-CB 4.5Å; P53-I386 HydrophobicContact CG-CG2 3.9Å; P53-R387 HydrophobicContact CG-CG 4.24Å
54	A	90.3	Very high	77.2	Confident	23 Å²	23	53.7 Å²	53.7	19%	0.19	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	13.8	177.8	0	0	0	0	0	113.4	N52 C475 N478	N52-A54 PolarHBondContact O-N 2.71Å; N52-A54 PolarHBondContact OD1-N 3.36Å; A54-C475 WeakPolarHBondContact O-CB 3.15Å; A54-C475 PolarHBondContact O-SG 2.66Å; A54-N478 PolarHBondContact O-ND2 2.94Å
55	A	92.3	Very high	80.2	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.318	C	S	.	.			trans	-78.1	155.6	176.1	0	0	0	0	0	112.3	N52 Y57 Y479	N52-A55 HydrophobicContact CB-CB 4.15Å; N52-A55 VanDerWaalsContact O-CB 3.26Å; N52-A55 WeakPolarHBondContact O-CB 3.45Å; N52-A55 PolarHBondContact O-N 3.24Å; N52-A55 VanDerWaalsContact O-N 3.09Å; A55-Y57 HydrophobicContact CB-CE2 4.12Å; A55-Y479 WeakPolarHBondContact CA-OH 3.44Å
56	I	95.4	Very high	83	Confident	10 Å²	10	58.2 Å²	58.2	5%	0.051	31%	0.307	C	S	.	.			trans	-98.5	130.6	167.3	-63.1	172.9	0	0	0	108.5	L468 M470 C475 L476 Y479 F485	I56-L468 HydrophobicContact CG2-CB 3.96Å; I56-L468 HydrophobicContact CG2-CD1 4.15Å; I56-L468 HydrophobicContact CG2-CD2 4.09Å; I56-L468 HydrophobicContact CG2-CG 4.27Å; I56-M470 HydrophobicContact CB-CE 4.33Å; I56-M470 HydrophobicContact CD1-CE 3.66Å; I56-M470 HydrophobicContact CD1-SD 4.01Å; I56-M470 HydrophobicContact CG1-CB 4.05Å; I56-M470 HydrophobicContact CG1-CE 3.67Å; I56-M470 HydrophobicContact CG1-SD 3.92Å; I56-M470 HydrophobicContact CG2-CE 3.79Å; I56-C475 HydrophobicContact CD1-CB 4.26Å; I56-C475 HydrophobicContact CG1-CB 3.74Å; I56-L476 HydrophobicContact CD1-CD2 3.61Å; I56-L476 HydrophobicContact CD1-CG 4.06Å; I56-Y479 HydrophobicContact CB-CE2 3.97Å; I56-Y479 HydrophobicContact CD1-CD2 3.71Å; I56-Y479 HydrophobicContact CD1-CE2 3.79Å; I56-Y479 HydrophobicContact CG1-CD2 4.19Å; I56-Y479 HydrophobicContact CG1-CE2 3.72Å; I56-Y479 PolarHBondContact N-OH 3.08Å; I56-Y479 VanDerWaalsContact N-OH 3.09Å; I56-F485 HydrophobicContact CB-CD1 4.34Å; I56-F485 HydrophobicContact CB-CE1 3.59Å; I56-F485 HydrophobicContact CB-CZ 3.87Å; I56-F485 HydrophobicContact CD1-CE1 4.33Å; I56-F485 HydrophobicContact CD1-CE2 4.5Å; I56-F485 HydrophobicContact CD1-CZ 3.72Å; I56-F485 HydrophobicContact CG1-CE1 4.48Å; I56-F485 HydrophobicContact CG1-CZ 4.35Å; I56-F485 HydrophobicContact CG2-CD1 4.16Å; I56-F485 HydrophobicContact CG2-CE1 3.79Å; I56-F485 HydrophobicContact CG2-CE2 4.42Å; I56-F485 HydrophobicContact CG2-CZ 3.92Å
57	Y	94.4	Very high	85.8	Confident	34 Å²	34	49.4 Å²	49.4	13%	0.133	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	133.1	179.9	-62.8	-90.8	0	0	0	110.1	N52 A55 L382 I386 L468 Y469	N52-Y57 PolarHBondContact O-OH 3.02Å; A55-Y57 HydrophobicContact CB-CE2 4.12Å; Y57-L382 HydrophobicContact CD2-CD2 3.79Å; Y57-L382 HydrophobicContact CE2-CD2 3.86Å; Y57-I386 HydrophobicContact CE2-CD1 3.67Å; Y57-I386 WeakPolarHBondContact OH-CD1 3.33Å; Y57-L468 CarbonylContact O-C 3.54Å; Y57-L468 WeakPolarHBondContact O-CA 3.42Å; Y57-Y469 WeakPolarHBondContact CB-OH 2.87Å; Y57-Y469 HydrophobicContact CD2-CD2 4.4Å; Y57-Y469 AromaticContact CD2-CE2 3.98Å; Y57-Y469 HydrophobicContact CD2-CE2 3.98Å; Y57-Y469 HydrophobicContact CG-CE1 4.47Å; Y57-Y469 AromaticContact CG-CE2 3.84Å; Y57-Y469 HydrophobicContact CG-CE2 3.84Å; Y57-Y469 AromaticContact CG-CZ 3.82Å; Y57-Y469 PolarHBondContact N-O 3.45Å; Y57-Y469 WeakPolarHBondContact O-CD1 3.45Å; Y57-Y469 PolarHBondContact O-N 2.83Å
58	A	94.9	Very high	88.5	Confident	20 Å²	20	51.3 Å²	51.3	17%	0.165	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.6	-176.3	0	0	0	0	0	112.5	D467 L468 F485	A58-D467 WeakPolarHBondContact CA-O 3.12Å; A58-L468 HydrophobicContact CB-CD2 3.72Å; A58-F485 HydrophobicContact CB-CB 3.73Å
59	N	94.4	Very high	90.9	Very high	32 Å²	32	46.5 Å²	46.5	17%	0.171	24%	0.239	C	C	.	.	S	Bend	trans	-90.3	-28.4	168	-61.9	-44.7	0	0	0	111.5	V463 S466 D467 Y469 P487	N59-V463 HydrophobicContact CB-CG1 4.46Å; N59-S466 WeakPolarHBondContact CB-O 3.24Å; N59-S466 PolarHBondContact ND2-O 3.27Å; N59-S466 PolarHBondContact ND2-OG 2.95Å; N59-D467 PolarHBondContact N-O 2.98Å; N59-Y469 WeakPolarHBondContact OD1-CE1 3.02Å; N59-P487 WeakPolarHBondContact O-CB 3.1Å
60	N	93.1	Very high	92.9	Very high	59 Å²	59	43.9 Å²	43.9	32%	0.316	22%	0.221	S	C	.	.	S	Bend	trans	-134.7	160.3	175.9	-63.8	-61.3	0	0	0	110.9	I62 D467	N60-I62 PolarHBondContact O-N 3.22Å; N60-D467 HydrophobicContact CB-CB 4.3Å; N60-D467 VanDerWaalsContact CB-OD1 3.27Å; N60-D467 WeakPolarHBondContact CB-OD1 3.34Å; N60-D467 PolarHBondContact N-O 3.09Å; N60-D467 PolarHBondContact ND2-OD1 3.26Å
61	E	95.1	Very high	94.1	Very high	115 Å²	115	38.9 Å²	38.9	54%	0.537	19%	0.194	S	C	.	.			trans	-70.7	121.2	179.4	-177.6	179.3	154.8	0	0	111.7	R374 T484 F485 Y486	E61-R374 PolarHBondContact O-NH2 3.3Å; E61-T484 HydrophobicContact CG-CG2 4.31Å; E61-F485 CarbonylContact C-O 3.51Å; E61-F485 VanDerWaalsContact CA-O 3.24Å; E61-F485 WeakPolarHBondContact CA-O 3.14Å; E61-Y486 HydrophobicContact CG-CD1 3.81Å; E61-Y486 HydrophobicContact CG-CE1 3.95Å; E61-Y486 WeakPolarHBondContact OE1-CE1 3.5Å
62	I	95.5	Very high	94.9	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	124.7	177.4	-74	-178.4	0	0	0	110.5	N60 L64 V67 R374 D467 L468 T484 F485	N60-I62 PolarHBondContact O-N 3.22Å; I62-L64 HydrophobicContact CG2-CD2 4.17Å; I62-V67 HydrophobicContact CG2-CG2 4.47Å; I62-R374 HydrophobicContact CD1-CB 4.05Å; I62-R374 HydrophobicContact CD1-CG 4.36Å; I62-R374 VanDerWaalsContact CG1-CZ 3.49Å; I62-D467 HydrophobicContact CD1-CB 3.13Å; I62-D467 HydrophobicContact CG1-CB 4.1Å; I62-L468 HydrophobicContact CB-CD2 4.42Å; I62-L468 HydrophobicContact CD1-CD1 4.26Å; I62-L468 HydrophobicContact CD1-CD2 4.27Å; I62-L468 HydrophobicContact CD1-CG 3.87Å; I62-L468 HydrophobicContact CG2-CD1 4.45Å; I62-T484 CarbonylContact O-C 3.49Å; I62-T484 VanDerWaalsContact O-CA 3.29Å; I62-T484 WeakPolarHBondContact O-CA 3.22Å; I62-F485 PolarHBondContact N-O 3.44Å; I62-F485 PolarHBondContact O-N 3.19Å
63	S	96.6	Very high	95.4	Very high	23 Å²	23	35.5 Å²	35.5	16%	0.161	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	119.1	161.8	-162.9	0	0	0	0	110.7	R65 D66 T484	S63-R65 PolarHBondContact O-N 2.99Å; S63-D66 WeakPolarHBondContact CB-OD2 3.34Å; S63-D66 PolarHBondContact O-N 3.33Å; S63-T484 WeakPolarHBondContact CB-OG1 3.28Å; S63-T484 PolarHBondContact OG-OG1 3.15Å
64	L	96.8	Very high	95.8	Very high	5 Å²	5	34 Å²	34	3%	0.026	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.3	174	-64.5	-174.6	0	0	0	112.5	I62 D66 V67 L354 L476 V481 F483 F485	I62-L64 HydrophobicContact CG2-CD2 4.17Å; L64-D66 VanDerWaalsContact C-N 3.3Å; L64-D66 PolarHBondContact O-N 3.44Å; L64-V67 PolarHBondContact O-N 2.81Å; L64-L354 HydrophobicContact CD2-CD2 4.17Å; L64-L476 HydrophobicContact CD1-CD2 4.4Å; L64-V481 CarbonylContact C-O 3.46Å; L64-V481 WeakPolarHBondContact CB-O 3.25Å; L64-F483 WeakPolarHBondContact CB-O 3.17Å; L64-F483 HydrophobicContact CD1-CB 4.44Å; L64-F483 WeakPolarHBondContact CG-O 3.43Å; L64-F483 PolarHBondContact N-O 2.78Å; L64-F485 HydrophobicContact CD1-CE2 3.84Å; L64-F485 HydrophobicContact CD2-CE2 4.16Å; L64-F485 HydrophobicContact CG-CD2 4.43Å; L64-F485 HydrophobicContact CG-CE2 3.88Å
65	R	96.3	Very high	96	Very high	182 Å²	182	33.6 Å²	33.6	69%	0.687	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-44.2	173.8	-175.3	179.5	-177.8	172.5	0.6	111.4	S63 V67 K262 V481 D482	S63-R65 PolarHBondContact O-N 2.99Å; R65-V67 VanDerWaalsContact C-N 3.31Å; R65-K262 PolarHBondContact O-NZ 3.4Å; R65-V481 PolarHBondContact N-O 3.08Å; R65-D482 HydrophobicContact CB-CB 4.26Å
66	D	95.6	Very high	96	Very high	102 Å²	102	34 Å²	34	55%	0.545	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-12.1	-173.5	-58	-28.2	0	0	0	113.1	S63 L64 E68	S63-D66 WeakPolarHBondContact CB-OD2 3.34Å; S63-D66 PolarHBondContact O-N 3.33Å; L64-D66 VanDerWaalsContact C-N 3.3Å; L64-D66 PolarHBondContact O-N 3.44Å; D66-E68 PolarHBondContact O-N 2.96Å
67	V	97.1	Very high	96.1	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.012	16%	0.161	C	C	.	.			trans	-80.1	113.9	174.9	-177.2	0	0	0	0	109	I62 L64 R65 V69 Y70 K262 L354	I62-V67 HydrophobicContact CG2-CG2 4.47Å; L64-V67 PolarHBondContact O-N 2.81Å; R65-V67 VanDerWaalsContact C-N 3.31Å; V67-V69 WeakPolarHBondContact CG1-O 3.49Å; V67-Y70 HydrophobicContact CB-CE2 3.94Å; V67-Y70 HydrophobicContact CG1-CD2 3.84Å; V67-Y70 HydrophobicContact CG1-CE1 4.18Å; V67-Y70 HydrophobicContact CG1-CE2 3.33Å; V67-Y70 HydrophobicContact CG1-CG 4.43Å; V67-K262 WeakPolarHBondContact O-CD 3.35Å; V67-K262 VanDerWaalsContact O-CE 3.31Å; V67-K262 WeakPolarHBondContact O-CE 3.47Å; V67-K262 PolarHBondContact O-NZ 2.76Å; V67-L354 HydrophobicContact CG1-CB 3.51Å; V67-L354 HydrophobicContact CG2-CB 4.21Å; V67-L354 HydrophobicContact CG2-CD2 4.45Å
68	E	97.5	Very high	96.2	Very high	90 Å²	90	31.9 Å²	31.9	42%	0.421	16%	0.155	S	C	.	.			trans	-94.3	-29.8	179	-67.8	171.8	-174.3	0	0	111.8	D66 Q263 R352	D66-E68 PolarHBondContact O-N 2.96Å; E68-Q263 PolarHBondContact O-N 2.79Å; E68-R352 HydrophobicContact CB-CB 4.42Å; E68-R352 PolarHBondContact N-O 3.36Å; E68-R352 IonicContact OE1-NH1 3.92Å; E68-R352 WeakPolarHBondContact OE2-CD 3.43Å; E68-R352 IonicContact OE2-CZ 2.79Å; E68-R352 IonicContact OE2-NE 3.26Å; E68-R352 IonicContact OE2-NH1 2.77Å; E68-R352 PolarHBondContact OE2-NH1 3.26Å
69	V	97.9	Very high	96.3	Very high	2 Å²	2	31 Å²	31	1%	0.012	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	130.4	-170.3	-168.9	0	0	0	0	110.6	V67 Q263 F265 W348 R352 V353 L354	V67-V69 WeakPolarHBondContact CG1-O 3.49Å; V69-Q263 CarbonylContact C-O 3.58Å; V69-Q263 WeakPolarHBondContact CA-O 3.37Å; V69-Q263 HydrophobicContact CG1-CB 4.26Å; V69-Q263 HydrophobicContact CG2-CB 4.33Å; V69-F265 HydrophobicContact CG1-CD1 3.6Å; V69-F265 HydrophobicContact CG1-CE1 3.62Å; V69-W348 HydrophobicContact CB-CD2 4.39Å; V69-W348 HydrophobicContact CB-CG 4.46Å; V69-W348 HydrophobicContact CG1-CD2 3.57Å; V69-W348 HydrophobicContact CG1-CE3 3.58Å; V69-W348 HydrophobicContact CG1-CG 4.11Å; V69-W348 HydrophobicContact CG1-CH2 4.12Å; V69-W348 HydrophobicContact CG1-CZ2 4.11Å; V69-W348 HydrophobicContact CG1-CZ3 3.88Å; V69-W348 HydrophobicContact CG2-CB 4.38Å; V69-W348 HydrophobicContact CG2-CD2 4Å; V69-W348 HydrophobicContact CG2-CG 3.79Å; V69-R352 PolarHBondContact N-O 2.76Å; V69-V353 HydrophobicContact CB-CG1 4.44Å; V69-V353 HydrophobicContact CB-CG2 4.25Å; V69-V353 WeakPolarHBondContact O-CA 3.27Å; V69-L354 PolarHBondContact O-N 3.3Å
70	Y	98.4	Very high	96.3	Very high	1 Å²	1	30 Å²	30	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	121	-179.4	-72.5	-108.9	0	0	0	110.1	V67 F72 L257 K262 Q263 L264 F265 L354 F356	V67-Y70 HydrophobicContact CB-CE2 3.94Å; V67-Y70 HydrophobicContact CG1-CD2 3.84Å; V67-Y70 HydrophobicContact CG1-CE1 4.18Å; V67-Y70 HydrophobicContact CG1-CE2 3.33Å; V67-Y70 HydrophobicContact CG1-CG 4.43Å; Y70-F72 HydrophobicContact CD1-CZ 4.45Å; Y70-L257 HydrophobicContact CD1-CD1 3.78Å; Y70-L257 HydrophobicContact CD1-CD2 4.04Å; Y70-L257 HydrophobicContact CD2-CD2 4.22Å; Y70-L257 HydrophobicContact CE1-CD1 4.32Å; Y70-L257 HydrophobicContact CE1-CD2 3.79Å; Y70-L257 HydrophobicContact CE2-CD2 3.98Å; Y70-L257 HydrophobicContact CG-CD1 3.94Å; Y70-L257 HydrophobicContact CG-CD2 4.28Å; Y70-K262 HydrophobicContact CD2-CB 3.88Å; Y70-K262 HydrophobicContact CD2-CG 4.17Å; Y70-K262 HydrophobicContact CE2-CB 4.07Å; Y70-K262 HydrophobicContact CE2-CD 3.98Å; Y70-K262 HydrophobicContact CE2-CG 3.82Å; Y70-Q263 PolarHBondContact N-O 3.06Å; Y70-L264 HydrophobicContact CG-CD2 4.5Å; Y70-L264 CarbonylContact O-C 3.54Å; Y70-L264 VanDerWaalsContact O-CA 3.29Å; Y70-L264 WeakPolarHBondContact O-CA 3.48Å; Y70-F265 PolarHBondContact O-N 3.23Å; Y70-L354 WeakPolarHBondContact CA-O 3.42Å; Y70-L354 HydrophobicContact CD1-CD2 4.5Å; Y70-L354 HydrophobicContact CE1-CD2 4Å; Y70-F356 AromaticContact CD1-CE2 3.85Å; Y70-F356 HydrophobicContact CD1-CE2 3.85Å; Y70-F356 HydrophobicContact CE1-CE2 4.26Å
71	G	97.5	Very high	96.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	147.7	176.5	0	0	0	0	0	111.8	F265 L354 Y355 F356	G71-F265 CarbonylContact C-O 3.53Å; G71-F265 WeakPolarHBondContact CA-O 3.17Å; G71-L354 PolarHBondContact N-O 3.03Å; G71-Y355 CarbonylContact O-C 3.6Å; G71-Y355 WeakPolarHBondContact O-CA 3.3Å; G71-F356 PolarHBondContact O-N 3.1Å
72	F	98.1	Very high	96.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	143	179.4	-52	-86	0	0	0	111.2	Y70 T77 L78 L254 L257 L264 F265 L266 I267 F291 F356 L473	Y70-F72 HydrophobicContact CD1-CZ 4.45Å; F72-T77 HydrophobicContact CB-CG2 4.44Å; F72-L78 HydrophobicContact CB-CD1 3.94Å; F72-L78 HydrophobicContact CB-CD2 4.04Å; F72-L78 HydrophobicContact CB-CG 3.86Å; F72-L78 HydrophobicContact CD1-CD2 3.87Å; F72-L78 HydrophobicContact CG-CD1 4.44Å; F72-L78 HydrophobicContact CG-CD2 3.89Å; F72-L78 HydrophobicContact CG-CG 4.28Å; F72-L254 HydrophobicContact CD2-CD2 4.3Å; F72-L254 HydrophobicContact CE2-CD2 3.85Å; F72-L254 HydrophobicContact CZ-CD2 4.06Å; F72-L257 HydrophobicContact CZ-CD1 3.84Å; F72-L264 HydrophobicContact CE2-CD2 4.17Å; F72-F265 PolarHBondContact N-O 3.2Å; F72-L266 HydrophobicContact CB-CD1 4.39Å; F72-L266 WeakPolarHBondContact O-CA 3.47Å; F72-L266 VanDerWaalsContact O-CD1 3.29Å; F72-L266 WeakPolarHBondContact O-CD1 3.29Å; F72-I267 PolarHBondContact O-N 3.3Å; F72-F291 HydrophobicContact CD2-CE1 4.09Å; F72-F356 CarbonylContact C-O 3.56Å; F72-F356 HydrophobicContact CD1-CB 3.95Å; F72-F356 AromaticContact CD1-CD2 3.96Å; F72-F356 HydrophobicContact CD1-CD2 3.96Å; F72-F356 HydrophobicContact CD1-CG 4.28Å; F72-F356 HydrophobicContact CE1-CB 4.45Å; F72-F356 AromaticContact CE1-CD2 3.64Å; F72-F356 HydrophobicContact CE1-CD2 3.64Å; F72-F356 HydrophobicContact CE1-CE2 4.27Å; F72-F356 HydrophobicContact CE1-CG 4.29Å; F72-F356 HydrophobicContact CZ-CD2 4.48Å; F72-L473 HydrophobicContact CD1-CD1 4.32Å; F72-L473 HydrophobicContact CD1-CD2 4.05Å; F72-L473 HydrophobicContact CE1-CD1 3.86Å; F72-L473 HydrophobicContact CE1-CD2 3.78Å; F72-L473 HydrophobicContact CE1-CG 4.48Å
73	D	97.4	Very high	96.1	Very high	11 Å²	11	28.4 Å²	28.4	6%	0.059	14%	0.138	C	C	.	.			trans	-74.8	164.8	149.5	-164.7	14.4	0	0	0	110.7	T77 L78 I267 K300 Y355 F356	D73-T77 HydrophobicContact CB-CG2 4.33Å; D73-T77 VanDerWaalsContact O-CB 3.31Å; D73-T77 WeakPolarHBondContact O-CB 3.5Å; D73-T77 WeakPolarHBondContact O-CG2 3.49Å; D73-L78 WeakPolarHBondContact O-CG 3.48Å; D73-I267 VanDerWaalsContact OD1-O 3.12Å; D73-K300 IonicContact OD1-NZ 3.44Å; D73-K300 PolarHBondContact OD1-NZ 3.43Å; D73-K300 IonicContact OD2-NZ 3.11Å; D73-K300 PolarHBondContact OD2-NZ 2.8Å; D73-Y355 PolarHBondContact N-OH 3.46Å; D73-F356 PolarHBondContact N-O 3.46Å
74	Y	96.8	Very high	96	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-91	-68.6	176.8	-175.7	-107.7	0	0	0	112.2	T77 L78 A79 Y81 T268 F274 V275 G278 M279 M282	Y74-T77 PolarHBondContact O-N 3.33Å; Y74-L78 HydrophobicContact CD2-CB 4.41Å; Y74-L78 PolarHBondContact O-N 2.95Å; Y74-A79 HydrophobicContact CE1-CB 4.03Å; Y74-A79 HydrophobicContact CE2-CB 4.11Å; Y74-A79 PolarHBondContact O-N 3.48Å; Y74-Y81 WeakPolarHBondContact CE1-OH 3.21Å; Y74-T268 WeakPolarHBondContact CB-OG1 3.46Å; Y74-F274 HydrophobicContact CD1-CE1 4.34Å; Y74-F274 HydrophobicContact CE1-CD1 4.01Å; Y74-F274 AromaticContact CE1-CE1 3.67Å; Y74-F274 HydrophobicContact CE1-CE1 3.67Å; Y74-F274 HydrophobicContact CE1-CZ 4.45Å; Y74-V275 HydrophobicContact CD1-CG2 4.03Å; Y74-V275 HydrophobicContact CD2-CG1 4.06Å; Y74-V275 HydrophobicContact CE1-CG2 4.28Å; Y74-V275 HydrophobicContact CE2-CG1 4.13Å; Y74-V275 HydrophobicContact CG-CG1 4.47Å; Y74-V275 HydrophobicContact CG-CG2 4.18Å; Y74-G278 VanDerWaalsContact OH-CA 3.29Å; Y74-G278 WeakPolarHBondContact OH-CA 3.09Å; Y74-M279 HydrophobicContact CD2-CG 4.39Å; Y74-M279 HydrophobicContact CD2-SD 4.11Å; Y74-M279 HydrophobicContact CE2-CG 3.76Å; Y74-M279 HydrophobicContact CE2-SD 3.68Å; Y74-M282 HydrophobicContact CE2-CE 3.83Å
75	D	94.3	Very high	95.9	Very high	14 Å²	14	29 Å²	29	8%	0.075	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-66.4	132.5	-172.7	-61.7	-75.1	0	0	0	111	T77 Y81 F188 S270	D75-T77 PolarHBondContact O-N 3.44Å; D75-Y81 HydrophobicContact CB-CE2 4Å; D75-Y81 WeakPolarHBondContact OD1-CE2 3.22Å; D75-Y81 PolarHBondContact OD1-OH 3.41Å; D75-F188 HydrophobicContact CB-CE2 4.32Å; D75-F188 HydrophobicContact CB-CZ 4.47Å; D75-S270 WeakPolarHBondContact OD2-CB 3.21Å; D75-S270 PolarHBondContact OD2-OG 3.23Å
76	Y	93.6	Very high	95.8	Very high	7 Å²	7	20.7 Å²	20.7	3%	0.027	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	3.6	-173.2	-71.5	-70.2	0	0	0	116.9	A79 Y81 H86 I187 F188 I378	Y76-A79 VanDerWaalsContact CA-O 3.25Å; Y76-A79 WeakPolarHBondContact CA-O 3.31Å; Y76-A79 PolarHBondContact N-O 3.28Å; Y76-Y81 HydrophobicContact CD1-CD2 4.3Å; Y76-Y81 HydrophobicContact CD2-CD2 4.17Å; Y76-Y81 HydrophobicContact CE1-CD2 4.1Å; Y76-Y81 HydrophobicContact CE1-CG 4.48Å; Y76-Y81 AromaticContact CE2-CD2 4Å; Y76-Y81 HydrophobicContact CE2-CD2 4Å; Y76-Y81 HydrophobicContact CG-CD2 4.31Å; Y76-Y81 AromaticContact CZ-CD2 3.94Å; Y76-H86 PolarHBondContact OH-NE2 2.94Å; Y76-H86 VanDerWaalsContact OH-NE2 3.11Å; Y76-I187 HydrophobicContact CD1-CD1 3.87Å; Y76-I187 HydrophobicContact CD1-CG2 4.48Å; Y76-I187 HydrophobicContact CD2-CB 4.23Å; Y76-I187 HydrophobicContact CE1-CB 4.45Å; Y76-I187 HydrophobicContact CE1-CD1 4.2Å; Y76-I187 HydrophobicContact CE1-CG2 3.83Å; Y76-I187 HydrophobicContact CE2-CB 3.92Å; Y76-I187 HydrophobicContact CE2-CG2 3.83Å; Y76-I187 HydrophobicContact CG-CD1 4.05Å; Y76-I187 VanDerWaalsContact CZ-CG2 3.47Å; Y76-F188 HydrophobicContact CD2-CD2 4.11Å; Y76-F188 HydrophobicContact CD2-CE1 4.27Å; Y76-F188 AromaticContact CD2-CE2 3.51Å; Y76-F188 HydrophobicContact CD2-CE2 3.51Å; Y76-F188 AromaticContact CD2-CZ 3.61Å; Y76-F188 HydrophobicContact CD2-CZ 3.61Å; Y76-F188 AromaticContact CE2-CD1 3.83Å; Y76-F188 HydrophobicContact CE2-CD1 3.83Å; Y76-F188 AromaticContact CE2-CD2 3.86Å; Y76-F188 HydrophobicContact CE2-CD2 3.86Å; Y76-F188 AromaticContact CE2-CE1 3.4Å; Y76-F188 HydrophobicContact CE2-CE1 3.4Å; Y76-F188 VanDerWaalsContact CE2-CE1 3.4Å; Y76-F188 AromaticContact CE2-CE2 3.44Å; Y76-F188 HydrophobicContact CE2-CE2 3.44Å; Y76-F188 VanDerWaalsContact CE2-CE2 3.44Å; Y76-F188 HydrophobicContact CE2-CG 4.05Å; Y76-F188 AromaticContact CE2-CZ 3.21Å; Y76-F188 HydrophobicContact CE2-CZ 3.21Å; Y76-I378 WeakPolarHBondContact O-CG2 3.45Å
77	T	96.4	Very high	95.9	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-66.3	176.7	-63.9	0	0	0	0	111.4	F72 D73 Y74 D75 F356 G357 D358 I378	F72-T77 HydrophobicContact CB-CG2 4.44Å; D73-T77 HydrophobicContact CB-CG2 4.33Å; D73-T77 VanDerWaalsContact O-CB 3.31Å; D73-T77 WeakPolarHBondContact O-CB 3.5Å; D73-T77 WeakPolarHBondContact O-CG2 3.49Å; Y74-T77 PolarHBondContact O-N 3.33Å; D75-T77 PolarHBondContact O-N 3.44Å; T77-F356 HydrophobicContact CG2-CB 3.96Å; T77-G357 WeakPolarHBondContact OG1-CA 3.15Å; T77-D358 PolarHBondContact OG1-N 3.49Å; T77-D358 VanDerWaalsContact OG1-N 3.1Å; T77-I378 HydrophobicContact CG2-CG1 4.15Å
78	L	97.1	Very high	95.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-45.7	171.2	-69	179.6	0	0	0	111.1	F72 D73 Y74 T250 L254 L266 M279 F291 L473	F72-L78 HydrophobicContact CB-CD1 3.94Å; F72-L78 HydrophobicContact CB-CD2 4.04Å; F72-L78 HydrophobicContact CB-CG 3.86Å; F72-L78 HydrophobicContact CD1-CD2 3.87Å; F72-L78 HydrophobicContact CG-CD1 4.44Å; F72-L78 HydrophobicContact CG-CD2 3.89Å; F72-L78 HydrophobicContact CG-CG 4.28Å; D73-L78 WeakPolarHBondContact O-CG 3.48Å; Y74-L78 HydrophobicContact CD2-CB 4.41Å; Y74-L78 PolarHBondContact O-N 2.95Å; L78-T250 HydrophobicContact CB-CG2 4.31Å; L78-T250 HydrophobicContact CD2-CG2 4.06Å; L78-T250 PolarHBondContact O-OG1 3.23Å; L78-L254 HydrophobicContact CD2-CD1 4.44Å; L78-L254 HydrophobicContact CD2-CD2 4.1Å; L78-L266 HydrophobicContact CD1-CD1 3.8Å; L78-M279 HydrophobicContact CD1-SD 4.29Å; L78-F291 HydrophobicContact CD1-CE1 4.5Å; L78-F291 HydrophobicContact CD1-CZ 4.05Å; L78-L473 HydrophobicContact CD2-CD2 3.7Å
79	A	96.2	Very high	95.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-99.6	99.6	176.9	0	0	0	0	0	109.4	Y74 Y76 Y81 M282	Y74-A79 HydrophobicContact CE1-CB 4.03Å; Y74-A79 HydrophobicContact CE2-CB 4.11Å; Y74-A79 PolarHBondContact O-N 3.48Å; Y76-A79 VanDerWaalsContact CA-O 3.25Å; Y76-A79 WeakPolarHBondContact CA-O 3.31Å; Y76-A79 PolarHBondContact N-O 3.28Å; A79-Y81 HydrophobicContact CB-CE1 4.07Å; A79-M282 HydrophobicContact CB-CE 3.82Å; A79-M282 HydrophobicContact CB-SD 4.06Å
80	Q	94.4	Very high	95.7	Very high	13 Å²	13	17.3 Å²	17.3	6%	0.061	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	127.3	173.2	-63.6	-164.9	-35.5	0	0	109.2	L245 R246 A471 S472	Q80-L245 HydrophobicContact CB-CB 4.37Å; Q80-L245 WeakPolarHBondContact O-CB 3.41Å; Q80-L245 PolarHBondContact O-N 2.91Å; Q80-R246 VanDerWaalsContact OE1-CD 3.25Å; Q80-A471 PolarHBondContact NE2-O 3.33Å; Q80-S472 PolarHBondContact OE1-OG 3.1Å
81	Y	94.9	Very high	95.7	Very high	7 Å²	7	18.9 Å²	18.9	3%	0.027	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	150	-177.4	-57.3	-64	0	0	0	112.9	Y74 D75 Y76 A79 L85 F188 I236 Y243 I244 F274	Y74-Y81 WeakPolarHBondContact CE1-OH 3.21Å; D75-Y81 HydrophobicContact CB-CE2 4Å; D75-Y81 WeakPolarHBondContact OD1-CE2 3.22Å; D75-Y81 PolarHBondContact OD1-OH 3.41Å; Y76-Y81 HydrophobicContact CD1-CD2 4.3Å; Y76-Y81 HydrophobicContact CD2-CD2 4.17Å; Y76-Y81 HydrophobicContact CE1-CD2 4.1Å; Y76-Y81 HydrophobicContact CE1-CG 4.48Å; Y76-Y81 AromaticContact CE2-CD2 4Å; Y76-Y81 HydrophobicContact CE2-CD2 4Å; Y76-Y81 HydrophobicContact CG-CD2 4.31Å; Y76-Y81 AromaticContact CZ-CD2 3.94Å; A79-Y81 HydrophobicContact CB-CE1 4.07Å; Y81-L85 HydrophobicContact CG-CD2 4.33Å; Y81-F188 HydrophobicContact CD2-CZ 4.23Å; Y81-F188 HydrophobicContact CE2-CZ 4.2Å; Y81-I236 HydrophobicContact CD1-CD1 3.91Å; Y81-I236 HydrophobicContact CD1-CG1 4.49Å; Y81-I236 HydrophobicContact CE1-CD1 3.71Å; Y81-I236 HydrophobicContact CE1-CG2 4.17Å; Y81-I236 HydrophobicContact CG-CD1 4.48Å; Y81-Y243 CarbonylContact C-O 3.05Å; Y81-Y243 WeakPolarHBondContact CA-O 3.47Å; Y81-I244 HydrophobicContact CD1-CG1 4.35Å; Y81-I244 HydrophobicContact CE1-CG1 4.16Å; Y81-F274 HydrophobicContact CE1-CZ 4.33Å; Y81-F274 VanDerWaalsContact OH-CE1 3.23Å; Y81-F274 WeakPolarHBondContact OH-CE1 3.29Å; Y81-F274 VanDerWaalsContact OH-CZ 3.28Å; Y81-F274 WeakPolarHBondContact OH-CZ 3.47Å
82	A	94.2	Very high	95.6	Very high	13 Å²	13	19.8 Å²	19.8	11%	0.107	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-71.3	145.5	174.5	0	0	0	0	0	112.5	A84 L85 K242 Y243 L245	A82-A84 PolarHBondContact O-N 2.89Å; A82-L85 WeakPolarHBondContact O-CB 3.43Å; A82-L85 PolarHBondContact O-N 3.4Å; A82-K242 WeakPolarHBondContact CB-O 3.28Å; A82-Y243 PolarHBondContact N-O 3.03Å; A82-L245 HydrophobicContact CB-CD1 4.4Å; A82-L245 HydrophobicContact CB-CD2 4.13Å; A82-L245 HydrophobicContact CB-CG 4.31Å
83	D	92.1	Very high	95.6	Very high	124 Å²	124	19.8 Å²	19.8	66%	0.663	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-21.8	176.7	-67.3	-16	0	0	0	113.2	L85 H86 P87	D83-L85 PolarHBondContact O-N 3.17Å; D83-H86 PolarHBondContact O-N 3.17Å; D83-H86 VanDerWaalsContact O-N 3.08Å; D83-P87 WeakPolarHBondContact O-CD 3.49Å
84	A	93.4	Very high	95.7	Very high	41 Å²	41	20.2 Å²	20.2	34%	0.339	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-16	174.5	0	0	0	0	0	113.8	A82 P87 Y243	A82-A84 PolarHBondContact O-N 2.89Å; A84-P87 WeakPolarHBondContact O-CD 3.38Å; A84-Y243 HydrophobicContact CB-CE1 4.09Å
85	L	94	Very high	95.7	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-73.6	-31.5	175.4	-171.2	64.9	0	0	0	112.7	Y81 A82 D83 E88 I89 F188 M232 W235 I236 Y243	Y81-L85 HydrophobicContact CG-CD2 4.33Å; A82-L85 WeakPolarHBondContact O-CB 3.43Å; A82-L85 PolarHBondContact O-N 3.4Å; D83-L85 PolarHBondContact O-N 3.17Å; L85-E88 PolarHBondContact O-N 3.1Å; L85-I89 HydrophobicContact CD2-CD1 4.23Å; L85-I89 HydrophobicContact CG-CD1 3.9Å; L85-I89 HydrophobicContact CG-CG1 4.33Å; L85-I89 WeakPolarHBondContact O-CG1 3.24Å; L85-I89 PolarHBondContact O-N 2.89Å; L85-I89 VanDerWaalsContact O-N 3.11Å; L85-F188 HydrophobicContact CD2-CE1 4.21Å; L85-M232 HydrophobicContact CD1-CG 4.06Å; L85-M232 HydrophobicContact CD2-CG 3.98Å; L85-M232 HydrophobicContact CD2-SD 4.19Å; L85-M232 HydrophobicContact CG-CG 4.4Å; L85-W235 HydrophobicContact CD1-CE3 4.12Å; L85-I236 HydrophobicContact CD1-CD1 4.32Å; L85-I236 HydrophobicContact CD1-CG1 4.1Å; L85-I236 HydrophobicContact CD2-CD1 4.02Å; L85-Y243 HydrophobicContact CB-CD1 4.28Å; L85-Y243 HydrophobicContact CB-CE1 4.37Å; L85-Y243 HydrophobicContact CD1-CD1 4.42Å; L85-Y243 HydrophobicContact CD1-CE1 4.38Å
86	H	95.1	Very high	95.8	Very high	6 Å²	6	21.9 Å²	21.9	3%	0.028	13%	0.127	C	C	.	.	H	α-helix	trans	-65.3	-43.4	-175.3	-59.9	162.8	0	0	0	113.5	Y76 D83 E88 I89 F90 Y112 P191	Y76-H86 PolarHBondContact OH-NE2 2.94Å; Y76-H86 VanDerWaalsContact OH-NE2 3.11Å; D83-H86 PolarHBondContact O-N 3.17Å; D83-H86 VanDerWaalsContact O-N 3.08Å; H86-E88 VanDerWaalsContact C-N 3.3Å; H86-E88 PolarHBondContact O-N 3.42Å; H86-I89 PolarHBondContact O-N 3.47Å; H86-F90 WeakPolarHBondContact O-CB 3.31Å; H86-F90 PolarHBondContact O-N 3.38Å; H86-Y112 HydrophobicContact CB-CD1 4.33Å; H86-Y112 HydrophobicContact CB-CE1 3.58Å; H86-Y112 HydrophobicContact CB-CE2 4.35Å; H86-P191 HydrophobicContact CB-CG 3.86Å
87	P	96.5	Very high	96	Very high	50 Å²	50	21.6 Å²	21.6	33%	0.325	13%	0.126	S	C	.	.	H	α-helix	trans	-57.9	-37.3	172.5	-21.4	27.9	0	0	0	114.2	D83 A84 F90 S91 Y112	D83-P87 WeakPolarHBondContact O-CD 3.49Å; A84-P87 WeakPolarHBondContact O-CD 3.38Å; P87-F90 PolarHBondContact O-N 2.81Å; P87-S91 WeakPolarHBondContact O-CB 3.26Å; P87-S91 PolarHBondContact O-N 3.27Å; P87-S91 PolarHBondContact O-OG 3.3Å; P87-Y112 HydrophobicContact CB-CD1 4.26Å; P87-Y112 HydrophobicContact CG-CD1 3.78Å; P87-Y112 HydrophobicContact CG-CE1 4.42Å
88	E	95.4	Very high	96.1	Very high	75 Å²	75	21.7 Å²	21.7	35%	0.35	13%	0.126	S	C	.	.	H	α-helix	trans	-68.2	-46.7	179.7	-62.1	-69.9	177.8	0	0	110.7	L85 H86 F90 S91 A92 W235	L85-E88 PolarHBondContact O-N 3.1Å; H86-E88 VanDerWaalsContact C-N 3.3Å; H86-E88 PolarHBondContact O-N 3.42Å; E88-F90 VanDerWaalsContact C-N 3.33Å; E88-F90 PolarHBondContact O-N 3.46Å; E88-S91 PolarHBondContact O-N 2.88Å; E88-A92 WeakPolarHBondContact O-CB 3.36Å; E88-A92 PolarHBondContact O-N 3.22Å; E88-W235 HydrophobicContact CB-CD2 4.18Å; E88-W235 HydrophobicContact CB-CE3 3.68Å; E88-W235 HydrophobicContact CB-CH2 4.01Å; E88-W235 HydrophobicContact CB-CZ2 4.46Å; E88-W235 HydrophobicContact CB-CZ3 3.6Å; E88-W235 WeakPolarHBondContact O-CH2 3.35Å
89	I	96.3	Very high	96.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.1	-47	175.1	-65.4	170.1	0	0	0	110.3	L85 H86 A93 F188 P191 I223 V226 M232 W235	L85-I89 HydrophobicContact CD2-CD1 4.23Å; L85-I89 HydrophobicContact CG-CD1 3.9Å; L85-I89 HydrophobicContact CG-CG1 4.33Å; L85-I89 WeakPolarHBondContact O-CG1 3.24Å; L85-I89 PolarHBondContact O-N 2.89Å; L85-I89 VanDerWaalsContact O-N 3.11Å; H86-I89 PolarHBondContact O-N 3.47Å; I89-A93 VanDerWaalsContact O-CB 3.3Å; I89-A93 WeakPolarHBondContact O-CB 3.36Å; I89-A93 PolarHBondContact O-N 3.48Å; I89-F188 HydrophobicContact CD1-CD1 4.11Å; I89-P191 HydrophobicContact CB-CB 4.19Å; I89-P191 HydrophobicContact CB-CG 3.99Å; I89-P191 HydrophobicContact CG2-CB 3.78Å; I89-P191 HydrophobicContact CG2-CG 3.9Å; I89-I223 HydrophobicContact CG2-CD1 3.99Å; I89-V226 HydrophobicContact CG1-CG1 4.38Å; I89-V226 HydrophobicContact CG2-CG1 4.43Å; I89-M232 HydrophobicContact CD1-CG 4.49Å; I89-M232 HydrophobicContact CD1-SD 4.32Å; I89-W235 HydrophobicContact CG1-CZ3 4Å
90	F	97.8	Very high	96.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.2	-49.8	178.7	176.8	-85.1	0	0	0	111.5	H86 P87 E88 A93 R94 Y112 P191 A194 L195 C198	H86-F90 WeakPolarHBondContact O-CB 3.31Å; H86-F90 PolarHBondContact O-N 3.38Å; P87-F90 PolarHBondContact O-N 2.81Å; E88-F90 VanDerWaalsContact C-N 3.33Å; E88-F90 PolarHBondContact O-N 3.46Å; F90-A93 PolarHBondContact O-N 3.04Å; F90-R94 VanDerWaalsContact O-CB 3.29Å; F90-R94 WeakPolarHBondContact O-CB 3.39Å; F90-R94 PolarHBondContact O-N 3.21Å; F90-Y112 HydrophobicContact CB-CD2 3.84Å; F90-Y112 HydrophobicContact CB-CG 4.12Å; F90-Y112 AromaticContact CD2-CD2 3.71Å; F90-Y112 HydrophobicContact CD2-CD2 3.71Å; F90-Y112 HydrophobicContact CD2-CG 4.45Å; F90-Y112 HydrophobicContact CE2-CD2 4.43Å; F90-Y112 AromaticContact CG-CD2 3.87Å; F90-Y112 HydrophobicContact CG-CD2 3.87Å; F90-Y112 HydrophobicContact CG-CG 4.23Å; F90-P191 HydrophobicContact CB-CB 4.14Å; F90-A194 HydrophobicContact CD2-CB 4.07Å; F90-A194 HydrophobicContact CE2-CB 3.98Å; F90-L195 HydrophobicContact CD2-CB 3.88Å; F90-L195 HydrophobicContact CD2-CD1 4.46Å; F90-L195 HydrophobicContact CE2-CB 3.77Å; F90-L195 HydrophobicContact CE2-CD1 3.97Å; F90-L195 HydrophobicContact CE2-CG 4.48Å; F90-L195 HydrophobicContact CZ-CD1 4.06Å; F90-C198 HydrophobicContact CZ-CB 4.43Å
91	S	97.4	Very high	96.2	Very high	35 Å²	35	34.9 Å²	34.9	25%	0.245	19%	0.185	C	C	.	.	H	α-helix	trans	-65.8	-43.8	-175.7	-58.9	0	0	0	0	111.3	P87 E88 R94 D95	P87-S91 WeakPolarHBondContact O-CB 3.26Å; P87-S91 PolarHBondContact O-N 3.27Å; P87-S91 PolarHBondContact O-OG 3.3Å; E88-S91 PolarHBondContact O-N 2.88Å; S91-R94 PolarHBondContact O-N 3.29Å; S91-D95 WeakPolarHBondContact O-CB 3.47Å; S91-D95 VanDerWaalsContact O-CG 3.25Å; S91-D95 PolarHBondContact O-N 2.98Å
92	A	97.1	Very high	96.3	Very high	19 Å²	19	42.4 Å²	42.4	16%	0.157	22%	0.218	C	C	.	.	H	α-helix	trans	-64.8	-42.9	176.8	0	0	0	0	0	112.3	E88 D95 I96 V226 L231 W235	E88-A92 WeakPolarHBondContact O-CB 3.36Å; E88-A92 PolarHBondContact O-N 3.22Å; A92-D95 PolarHBondContact O-N 2.75Å; A92-I96 WeakPolarHBondContact O-CB 3.29Å; A92-I96 VanDerWaalsContact O-CG1 3.23Å; A92-I96 WeakPolarHBondContact O-CG1 3.39Å; A92-I96 PolarHBondContact O-N 2.93Å; A92-V226 HydrophobicContact CB-CG2 3.93Å; A92-L231 HydrophobicContact CB-CD1 4.35Å; A92-W235 HydrophobicContact CB-CH2 3.54Å; A92-W235 HydrophobicContact CB-CZ2 3.87Å
93	A	97.8	Very high	96.5	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.2	-39.9	177.3	0	0	0	0	0	112	I89 F90 I96 L97 L195 A222 I223 V226	I89-A93 VanDerWaalsContact O-CB 3.3Å; I89-A93 WeakPolarHBondContact O-CB 3.36Å; I89-A93 PolarHBondContact O-N 3.48Å; F90-A93 PolarHBondContact O-N 3.04Å; A93-I96 PolarHBondContact O-N 3.32Å; A93-L97 WeakPolarHBondContact O-CG 3.35Å; A93-L97 PolarHBondContact O-N 2.9Å; A93-L195 HydrophobicContact CB-CD2 3.62Å; A93-A222 HydrophobicContact CB-CB 4.37Å; A93-I223 HydrophobicContact CB-CD1 3.5Å; A93-I223 VanDerWaalsContact CB-CD1 3.5Å; A93-I223 HydrophobicContact CB-CG1 4Å; A93-V226 HydrophobicContact CB-CG2 4.04Å
94	R	98.1	Very high	96.8	Very high	20 Å²	20	39 Å²	39	8%	0.075	20%	0.199	C	C	.	.	H	α-helix	trans	-58.3	-48.1	173	-177	-165.3	67.9	-161.7	-7.9	111.1	F90 S91 I96 L97 I98 I107 R108 Y110 D111 L195	F90-R94 VanDerWaalsContact O-CB 3.29Å; F90-R94 WeakPolarHBondContact O-CB 3.39Å; F90-R94 PolarHBondContact O-N 3.21Å; S91-R94 PolarHBondContact O-N 3.29Å; R94-I96 VanDerWaalsContact C-N 3.3Å; R94-I96 PolarHBondContact O-N 2.79Å; R94-L97 WeakPolarHBondContact O-CB 3.15Å; R94-L97 PolarHBondContact O-N 3.07Å; R94-I98 HydrophobicContact CG-CD1 4.18Å; R94-I98 WeakPolarHBondContact O-CG1 3.37Å; R94-I98 PolarHBondContact O-N 3.47Å; R94-I98 VanDerWaalsContact O-N 3.11Å; R94-I107 HydrophobicContact CG-CG2 4Å; R94-R108 PolarHBondContact NH1-O 3.23Å; R94-Y110 PolarHBondContact NH1-O 2.72Å; R94-D111 IonicContact NH1-OD1 3.85Å; R94-L195 HydrophobicContact CB-CD1 3.87Å; R94-L195 HydrophobicContact CG-CD1 4.19Å
95	D	97.4	Very high	97	Very high	37 Å²	37	42.8 Å²	42.8	20%	0.198	21%	0.209	C	C	.	.	H	α-helix	trans	-67.5	-34.9	-178.7	-71.3	14.6	0	0	0	110.6	S91 A92 L97 I98 E99 R108	S91-D95 WeakPolarHBondContact O-CB 3.47Å; S91-D95 VanDerWaalsContact O-CG 3.25Å; S91-D95 PolarHBondContact O-N 2.98Å; A92-D95 PolarHBondContact O-N 2.75Å; D95-L97 PolarHBondContact O-N 3.36Å; D95-I98 PolarHBondContact O-N 3.29Å; D95-E99 VanDerWaalsContact O-CB 3.3Å; D95-E99 WeakPolarHBondContact O-CB 3.42Å; D95-E99 VanDerWaalsContact O-CG 3.32Å; D95-E99 WeakPolarHBondContact O-CG 3.27Å; D95-E99 PolarHBondContact O-N 2.95Å; D95-R108 VanDerWaalsContact CG-NH1 3.27Å; D95-R108 IonicContact OD1-CZ 2.79Å; D95-R108 IonicContact OD1-NH1 2.78Å; D95-R108 PolarHBondContact OD1-NH1 3.02Å; D95-R108 IonicContact OD2-CZ 3.2Å; D95-R108 IonicContact OD2-NH1 3.73Å; D95-R108 PolarHBondContact OD2-NH1 2.91Å
96	I	97.1	Very high	97.1	Very high	12 Å²	12	44.1 Å²	44.1	6%	0.062	22%	0.223	C	C	.	.	H	α-helix	trans	-60.3	-43.9	170.8	-72	163.8	0	0	0	111.8	A92 A93 R94 I98 H100 Y101 A222 D225 V226	A92-I96 WeakPolarHBondContact O-CB 3.29Å; A92-I96 VanDerWaalsContact O-CG1 3.23Å; A92-I96 WeakPolarHBondContact O-CG1 3.39Å; A92-I96 PolarHBondContact O-N 2.93Å; A93-I96 PolarHBondContact O-N 3.32Å; R94-I96 VanDerWaalsContact C-N 3.3Å; R94-I96 PolarHBondContact O-N 2.79Å; I96-I98 VanDerWaalsContact C-N 3.33Å; I96-I98 PolarHBondContact O-N 3.41Å; I96-H100 HydrophobicContact CG2-CB 4.43Å; I96-H100 WeakPolarHBondContact O-CA 3.46Å; I96-H100 VanDerWaalsContact O-CB 3.29Å; I96-H100 WeakPolarHBondContact O-CB 3.39Å; I96-H100 PolarHBondContact O-N 3.42Å; I96-Y101 HydrophobicContact CG2-CD2 4.19Å; I96-Y101 HydrophobicContact CG2-CE2 4.01Å; I96-Y101 PolarHBondContact O-N 2.93Å; I96-A222 HydrophobicContact CB-CB 4.34Å; I96-A222 HydrophobicContact CG2-CB 3.9Å; I96-D225 HydrophobicContact CD1-CB 4.12Å; I96-V226 HydrophobicContact CD1-CG2 3.97Å
97	L	97.9	Very high	97.2	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-61.1	-43.3	177.9	-71.2	170.7	0	0	0	111.9	A93 R94 D95 Y101 K102 Y103 L195 V199 D218 V219 A222	A93-L97 WeakPolarHBondContact O-CG 3.35Å; A93-L97 PolarHBondContact O-N 2.9Å; R94-L97 WeakPolarHBondContact O-CB 3.15Å; R94-L97 PolarHBondContact O-N 3.07Å; D95-L97 PolarHBondContact O-N 3.36Å; L97-Y101 HydrophobicContact CD2-CD2 4.17Å; L97-Y101 HydrophobicContact CD2-CG 4.29Å; L97-Y101 CarbonylContact O-C 3.57Å; L97-Y101 VanDerWaalsContact O-C 3.28Å; L97-Y101 WeakPolarHBondContact O-CA 3.37Å; L97-Y101 VanDerWaalsContact O-CB 3.27Å; L97-Y101 WeakPolarHBondContact O-CB 3.49Å; L97-Y101 PolarHBondContact O-N 3.09Å; L97-K102 PolarHBondContact O-N 2.89Å; L97-Y103 HydrophobicContact CB-CD2 4.35Å; L97-Y103 HydrophobicContact CB-CG 4.28Å; L97-Y103 HydrophobicContact CD2-CD2 4.4Å; L97-Y103 HydrophobicContact CD2-CE2 4.31Å; L97-Y103 PolarHBondContact O-N 3.46Å; L97-L195 HydrophobicContact CD1-CD1 4.28Å; L97-L195 HydrophobicContact CD1-CD2 3.77Å; L97-L195 HydrophobicContact CD1-CG 4.04Å; L97-V199 HydrophobicContact CD1-CG2 4.14Å; L97-D218 HydrophobicContact CD2-CB 4.02Å; L97-V219 HydrophobicContact CD1-CB 4.5Å; L97-V219 HydrophobicContact CD1-CG2 3.81Å; L97-V219 HydrophobicContact CD2-CG2 4.38Å; L97-A222 HydrophobicContact CD2-CB 3.73Å; L97-A222 HydrophobicContact CG-CB 3.76Å
98	I	98.2	Very high	97.3	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-68.5	-51.2	-179.9	-66.3	170.1	0	0	0	110.2	R94 D95 I96 K102 E105 I107 R108	R94-I98 HydrophobicContact CG-CD1 4.18Å; R94-I98 WeakPolarHBondContact O-CG1 3.37Å; R94-I98 PolarHBondContact O-N 3.47Å; R94-I98 VanDerWaalsContact O-N 3.11Å; D95-I98 PolarHBondContact O-N 3.29Å; I96-I98 VanDerWaalsContact C-N 3.33Å; I96-I98 PolarHBondContact O-N 3.41Å; I98-K102 VanDerWaalsContact O-CA 3.24Å; I98-K102 WeakPolarHBondContact O-CA 3.41Å; I98-K102 PolarHBondContact O-N 3.06Å; I98-E105 HydrophobicContact CG2-CG 4.29Å; I98-E105 WeakPolarHBondContact CG2-OE1 3.41Å; I98-E105 VanDerWaalsContact CG2-OE2 3.26Å; I98-E105 WeakPolarHBondContact CG2-OE2 3.28Å; I98-I107 HydrophobicContact CD1-CB 4.38Å; I98-R108 HydrophobicContact CD1-CB 4.03Å
99	E	97.3	Very high	97.3	Very high	98 Å²	98	48.3 Å²	48.3	46%	0.458	23%	0.232	S	C	.	.	H	α-helix	trans	-79.4	-39.8	-169.4	-67	173.8	-168.1	0	0	113	D95 K102 R108	D95-E99 VanDerWaalsContact O-CB 3.3Å; D95-E99 WeakPolarHBondContact O-CB 3.42Å; D95-E99 VanDerWaalsContact O-CG 3.32Å; D95-E99 WeakPolarHBondContact O-CG 3.27Å; D95-E99 PolarHBondContact O-N 2.95Å; E99-K102 VanDerWaalsContact O-CE 3.32Å; E99-K102 WeakPolarHBondContact O-CE 3.34Å; E99-K102 PolarHBondContact O-NZ 3.06Å; E99-R108 IonicContact OE1-NH2 3.13Å
100	H	95.9	Very high	97.4	Very high	119 Å²	119	49.7 Å²	49.7	55%	0.551	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-45.8	-176.7	-65.4	-85.8	0	0	0	112.6	I96 K102	I96-H100 HydrophobicContact CG2-CB 4.43Å; I96-H100 WeakPolarHBondContact O-CA 3.46Å; I96-H100 VanDerWaalsContact O-CB 3.29Å; I96-H100 WeakPolarHBondContact O-CB 3.39Å; I96-H100 PolarHBondContact O-N 3.42Å; H100-K102 VanDerWaalsContact C-N 3.34Å
101	Y	96.4	Very high	97.3	Very high	73 Å²	73	55.5 Å²	55.5	29%	0.286	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-4.5	-179.1	-66.2	-100.4	0	0	0	113.3	I96 L97 Y103 D218 D221	I96-Y101 HydrophobicContact CG2-CD2 4.19Å; I96-Y101 HydrophobicContact CG2-CE2 4.01Å; I96-Y101 PolarHBondContact O-N 2.93Å; L97-Y101 HydrophobicContact CD2-CD2 4.17Å; L97-Y101 HydrophobicContact CD2-CG 4.29Å; L97-Y101 CarbonylContact O-C 3.57Å; L97-Y101 VanDerWaalsContact O-C 3.28Å; L97-Y101 WeakPolarHBondContact O-CA 3.37Å; L97-Y101 VanDerWaalsContact O-CB 3.27Å; L97-Y101 WeakPolarHBondContact O-CB 3.49Å; L97-Y101 PolarHBondContact O-N 3.09Å; Y101-Y103 VanDerWaalsContact C-N 3.26Å; Y101-Y103 PolarHBondContact O-N 2.78Å; Y101-D218 HydrophobicContact CD1-CB 3.8Å; Y101-D218 WeakPolarHBondContact CD1-OD1 3.19Å; Y101-D218 HydrophobicContact CE1-CB 3.97Å; Y101-D218 WeakPolarHBondContact CE1-OD1 3.23Å; Y101-D218 HydrophobicContact CG-CB 4.42Å; Y101-D221 VanDerWaalsContact OH-CB 3.3Å; Y101-D221 WeakPolarHBondContact OH-CB 3.47Å
102	K	97.1	Very high	97.3	Very high	165 Å²	165	55.3 Å²	55.3	72%	0.717	26%	0.263	S	S	*	.			trans	61.5	32.4	176.4	-52.3	-53.7	-174.8	-171.9	0	113.6	L97 I98 E99 H100	L97-K102 PolarHBondContact O-N 2.89Å; I98-K102 VanDerWaalsContact O-CA 3.24Å; I98-K102 WeakPolarHBondContact O-CA 3.41Å; I98-K102 PolarHBondContact O-N 3.06Å; E99-K102 VanDerWaalsContact O-CE 3.32Å; E99-K102 WeakPolarHBondContact O-CE 3.34Å; E99-K102 PolarHBondContact O-NZ 3.06Å; H100-K102 VanDerWaalsContact C-N 3.34Å
103	Y	98.1	Very high	97.3	Very high	26 Å²	26	58.2 Å²	58.2	10%	0.102	28%	0.276	C	S	.	.			trans	-65	153.8	170	-83.5	-117	0	0	0	110.5	L97 Y101 E105 I107 V199 F203 L215 D218	L97-Y103 HydrophobicContact CB-CD2 4.35Å; L97-Y103 HydrophobicContact CB-CG 4.28Å; L97-Y103 HydrophobicContact CD2-CD2 4.4Å; L97-Y103 HydrophobicContact CD2-CE2 4.31Å; L97-Y103 PolarHBondContact O-N 3.46Å; Y101-Y103 VanDerWaalsContact C-N 3.26Å; Y101-Y103 PolarHBondContact O-N 2.78Å; Y103-E105 PolarHBondContact O-N 2.95Å; Y103-I107 HydrophobicContact CD1-CD1 3.96Å; Y103-I107 HydrophobicContact CG-CD1 4.41Å; Y103-V199 HydrophobicContact CD1-CG1 3.82Å; Y103-V199 HydrophobicContact CE1-CG1 3.69Å; Y103-F203 AromaticContact CD1-CE2 3.82Å; Y103-F203 HydrophobicContact CD1-CE2 3.82Å; Y103-F203 AromaticContact CD1-CZ 3.82Å; Y103-F203 HydrophobicContact CD1-CZ 3.82Å; Y103-F203 HydrophobicContact CE1-CE2 4.08Å; Y103-F203 AromaticContact CE1-CZ 3.85Å; Y103-F203 HydrophobicContact CE1-CZ 3.85Å; Y103-L215 HydrophobicContact CE1-CG 4.45Å; Y103-L215 WeakPolarHBondContact OH-CA 3.47Å; Y103-D218 HydrophobicContact CE2-CB 4.06Å; Y103-D218 WeakPolarHBondContact CE2-OD2 3.28Å; Y103-D218 WeakPolarHBondContact OH-CB 3.49Å; Y103-D218 PolarHBondContact OH-OD2 3.09Å
104	P	98	Very high	97.2	Very high	41 Å²	41	62.3 Å²	62.3	27%	0.266	30%	0.302	S	S	.	.			trans	-54.2	131.3	-178.6	-28.1	34.7	0	0	0	114	G106 I107 Y202 F203 L208	P104-G106 PolarHBondContact O-N 3.35Å; P104-I107 WeakPolarHBondContact O-CB 3.34Å; P104-I107 WeakPolarHBondContact O-CG1 3.3Å; P104-I107 PolarHBondContact O-N 3.2Å; P104-Y202 HydrophobicContact CB-CD1 4.37Å; P104-Y202 HydrophobicContact CB-CE1 3.47Å; P104-Y202 VanDerWaalsContact CB-CE1 3.47Å; P104-Y202 HydrophobicContact CG-CD1 4.49Å; P104-Y202 HydrophobicContact CG-CE1 3.83Å; P104-F203 HydrophobicContact CG-CE2 4.44Å; P104-F203 HydrophobicContact CG-CZ 4.48Å; P104-L208 HydrophobicContact CG-CD1 4.17Å
105	E	97.3	Very high	97	Very high	119 Å²	119	64.5 Å²	64.5	56%	0.556	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-55.6	-28.1	178.1	-70.6	-67.3	160.8	0	0	113.2	I98 Y103 I107 R108	I98-E105 HydrophobicContact CG2-CG 4.29Å; I98-E105 WeakPolarHBondContact CG2-OE1 3.41Å; I98-E105 VanDerWaalsContact CG2-OE2 3.26Å; I98-E105 WeakPolarHBondContact CG2-OE2 3.28Å; Y103-E105 PolarHBondContact O-N 2.95Å; E105-I107 PolarHBondContact O-N 3.45Å; E105-R108 VanDerWaalsContact O-CB 3.24Å; E105-R108 WeakPolarHBondContact O-CB 3.39Å; E105-R108 PolarHBondContact O-N 3Å; E105-R108 IonicContact OE2-NE 2.7Å
106	G	97.3	Very high	97	Very high	28 Å²	28	63.2 Å²	63.2	29%	0.289	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-60.8	-16.1	177.9	0	0	0	0	0	114.3	P104 R108 K109	P104-G106 PolarHBondContact O-N 3.35Å; G106-R108 PolarHBondContact O-N 3.2Å; G106-K109 WeakPolarHBondContact O-CB 3.22Å; G106-K109 WeakPolarHBondContact O-CD 3.24Å; G106-K109 WeakPolarHBondContact O-CG 3.45Å; G106-K109 PolarHBondContact O-N 2.81Å
107	I	97.4	Very high	96.9	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.005	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-66.2	-23.9	173.4	-63.7	169.3	0	0	0	111.3	R94 I98 Y103 P104 E105 K109 Y110 V199 Y202 F203	R94-I107 HydrophobicContact CG-CG2 4Å; I98-I107 HydrophobicContact CD1-CB 4.38Å; Y103-I107 HydrophobicContact CD1-CD1 3.96Å; Y103-I107 HydrophobicContact CG-CD1 4.41Å; P104-I107 WeakPolarHBondContact O-CB 3.34Å; P104-I107 WeakPolarHBondContact O-CG1 3.3Å; P104-I107 PolarHBondContact O-N 3.2Å; E105-I107 PolarHBondContact O-N 3.45Å; I107-K109 PolarHBondContact O-N 2.87Å; I107-Y110 WeakPolarHBondContact O-CD2 3.32Å; I107-Y110 PolarHBondContact O-N 3.09Å; I107-V199 HydrophobicContact CD1-CG1 4.28Å; I107-V199 HydrophobicContact CD1-CG2 4.39Å; I107-V199 HydrophobicContact CG2-CG2 4.26Å; I107-Y202 HydrophobicContact CD1-CD1 4.39Å; I107-Y202 HydrophobicContact CG1-CD1 3.8Å; I107-Y202 HydrophobicContact CG1-CD2 4.08Å; I107-Y202 HydrophobicContact CG1-CE1 4.29Å; I107-Y202 HydrophobicContact CG1-CG 3.68Å; I107-F203 HydrophobicContact CD1-CE2 4.12Å
108	R	97.2	Very high	96.9	Very high	93 Å²	93	64 Å²	64	35%	0.351	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-58.7	-17.6	177.3	-161.5	177.1	-74.5	-88.5	4.2	113.1	R94 D95 I98 E99 E105 G106 Y110	R94-R108 PolarHBondContact NH1-O 3.23Å; D95-R108 VanDerWaalsContact CG-NH1 3.27Å; D95-R108 IonicContact OD1-CZ 2.79Å; D95-R108 IonicContact OD1-NH1 2.78Å; D95-R108 PolarHBondContact OD1-NH1 3.02Å; D95-R108 IonicContact OD2-CZ 3.2Å; D95-R108 IonicContact OD2-NH1 3.73Å; D95-R108 PolarHBondContact OD2-NH1 2.91Å; I98-R108 HydrophobicContact CD1-CB 4.03Å; E99-R108 IonicContact OE1-NH2 3.13Å; E105-R108 VanDerWaalsContact O-CB 3.24Å; E105-R108 WeakPolarHBondContact O-CB 3.39Å; E105-R108 PolarHBondContact O-N 3Å; E105-R108 IonicContact OE2-NE 2.7Å; G106-R108 PolarHBondContact O-N 3.2Å; R108-Y110 PolarHBondContact O-N 3Å
109	K	96.8	Very high	96.7	Very high	125 Å²	125	64.1 Å²	64.1	54%	0.543	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-67.3	-19.1	174.8	82.1	-174.5	180	173.2	0	114.3	G106 I107	G106-K109 WeakPolarHBondContact O-CB 3.22Å; G106-K109 WeakPolarHBondContact O-CD 3.24Å; G106-K109 WeakPolarHBondContact O-CG 3.45Å; G106-K109 PolarHBondContact O-N 2.81Å; I107-K109 PolarHBondContact O-N 2.87Å
110	Y	97.5	Very high	96.6	Very high	29 Å²	29	59.8 Å²	59.8	11%	0.114	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-88.3	128.5	-179.8	-67.7	-87.8	0	0	0	110.3	R94 I107 R108 L148 C198 D201 Y202	R94-Y110 PolarHBondContact NH1-O 2.72Å; I107-Y110 WeakPolarHBondContact O-CD2 3.32Å; I107-Y110 PolarHBondContact O-N 3.09Å; R108-Y110 PolarHBondContact O-N 3Å; Y110-L148 HydrophobicContact CD1-CD1 3.98Å; Y110-L148 HydrophobicContact CE1-CD1 3.67Å; Y110-C198 HydrophobicContact CD1-CB 3.89Å; Y110-C198 HydrophobicContact CD2-CB 4.25Å; Y110-C198 HydrophobicContact CG-CB 3.75Å; Y110-D201 HydrophobicContact CE1-CB 4.5Å; Y110-D201 WeakPolarHBondContact CE1-OD2 3.38Å; Y110-D201 PolarHBondContact OH-OD2 3.45Å; Y110-Y202 AromaticContact CE2-CD2 3.94Å; Y110-Y202 HydrophobicContact CE2-CD2 3.94Å; Y110-Y202 HydrophobicContact CE2-CG 4.35Å; Y110-Y202 PolarHBondContact OH-N 3.01Å
111	D	96.7	Very high	96.6	Very high	122 Å²	122	54.2 Å²	54.2	65%	0.652	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-103.9	158.6	171.6	-65	-43.6	0	0	0	110.8	R94 N113	R94-D111 IonicContact NH1-OD1 3.85Å; D111-N113 PolarHBondContact O-N 2.98Å
112	Y	97.9	Very high	96.6	Very high	32 Å²	32	50.8 Å²	50.8	13%	0.125	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-67.6	123	176.5	-179.5	-106.1	0	0	0	111.3	H86 P87 F90 P114 A194	H86-Y112 HydrophobicContact CB-CD1 4.33Å; H86-Y112 HydrophobicContact CB-CE1 3.58Å; H86-Y112 HydrophobicContact CB-CE2 4.35Å; P87-Y112 HydrophobicContact CB-CD1 4.26Å; P87-Y112 HydrophobicContact CG-CD1 3.78Å; P87-Y112 HydrophobicContact CG-CE1 4.42Å; F90-Y112 HydrophobicContact CB-CD2 3.84Å; F90-Y112 HydrophobicContact CB-CG 4.12Å; F90-Y112 AromaticContact CD2-CD2 3.71Å; F90-Y112 HydrophobicContact CD2-CD2 3.71Å; F90-Y112 HydrophobicContact CD2-CG 4.45Å; F90-Y112 HydrophobicContact CE2-CD2 4.43Å; F90-Y112 AromaticContact CG-CD2 3.87Å; F90-Y112 HydrophobicContact CG-CD2 3.87Å; F90-Y112 HydrophobicContact CG-CG 4.23Å; Y112-P114 HydrophobicContact CD1-CB 4.49Å; Y112-P114 HydrophobicContact CE1-CB 3.82Å; Y112-P114 WeakPolarHBondContact O-CD 3.27Å; Y112-A194 HydrophobicContact CD2-CB 3.88Å; Y112-A194 HydrophobicContact CE2-CB 3.8Å
113	N	96.9	Very high	96.6	Very high	80 Å²	80	43.1 Å²	43.1	43%	0.428	23%	0.229	S	C	.	.			trans	-105	105.3	173.5	-178.2	-3.2	0	0	0	110.7	D111 S115 F116	D111-N113 PolarHBondContact O-N 2.98Å; N113-S115 PolarHBondContact O-N 3.19Å; N113-S115 VanDerWaalsContact O-N 3.11Å; N113-S115 WeakPolarHBondContact OD1-CB 3.49Å; N113-S115 PolarHBondContact OD1-N 3.42Å; N113-F116 HydrophobicContact CB-CB 4.26Å; N113-F116 PolarHBondContact O-N 2.93Å; N113-F116 VanDerWaalsContact O-N 3.17Å
114	P	94.7	Very high	96.5	Very high	85 Å²	85	41.9 Å²	41.9	55%	0.552	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-14.1	-179.5	27.2	-34.9	0	0	0	113.5	Y112	Y112-P114 HydrophobicContact CD1-CB 4.49Å; Y112-P114 HydrophobicContact CE1-CB 3.82Å; Y112-P114 WeakPolarHBondContact O-CD 3.27Å
115	S	94.4	Very high	96.4	Very high	66 Å²	66	40.9 Å²	40.9	46%	0.462	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-0.7	179.5	-58	0	0	0	0	113.3	N113 N442 Q444	N113-S115 PolarHBondContact O-N 3.19Å; N113-S115 VanDerWaalsContact O-N 3.11Å; N113-S115 WeakPolarHBondContact OD1-CB 3.49Å; N113-S115 PolarHBondContact OD1-N 3.42Å; S115-N442 PolarHBondContact O-ND2 2.89Å; S115-Q444 PolarHBondContact O-OE1 3.33Å; S115-Q444 VanDerWaalsContact O-OE1 3.08Å
116	F	96.5	Very high	96.2	Very high	10 Å²	10	40.6 Å²	40.6	4%	0.044	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-63.2	-177.3	177.4	-107.8	0	0	0	112.5	N113 L130 Y145 L148 S197 Q444 F445	N113-F116 HydrophobicContact CB-CB 4.26Å; N113-F116 PolarHBondContact O-N 2.93Å; N113-F116 VanDerWaalsContact O-N 3.17Å; F116-L130 HydrophobicContact CE1-CD2 3.86Å; F116-L130 HydrophobicContact CZ-CD2 4.32Å; F116-Y145 HydrophobicContact CE2-CD1 4.13Å; F116-Y145 HydrophobicContact CE2-CE1 4.48Å; F116-Y145 HydrophobicContact CZ-CD1 4.48Å; F116-L148 HydrophobicContact CD1-CD2 4.19Å; F116-L148 HydrophobicContact CD2-CD2 4.01Å; F116-L148 HydrophobicContact CE1-CD2 3.95Å; F116-L148 HydrophobicContact CE2-CD2 3.75Å; F116-L148 HydrophobicContact CG-CD2 4.22Å; F116-L148 HydrophobicContact CZ-CD2 3.72Å; F116-S197 VanDerWaalsContact CE1-OG 3.29Å; F116-S197 WeakPolarHBondContact CE1-OG 3.33Å; F116-Q444 HydrophobicContact CD2-CG 4.31Å; F116-F445 VanDerWaalsContact O-CD2 3.23Å; F116-F445 WeakPolarHBondContact O-CD2 3.25Å; F116-F445 WeakPolarHBondContact O-CE2 3.45Å
117	A	96.5	Very high	96	Very high	11 Å²	11	41.7 Å²	41.7	9%	0.091	21%	0.211	C	C	.	.			trans	-100.3	155.2	-174.1	0	0	0	0	0	112.3	L121 M193	A117-L121 HydrophobicContact CB-CD1 4.31Å; A117-M193 HydrophobicContact CB-CB 4Å; A117-M193 HydrophobicContact CB-CE 4.13Å; A117-M193 HydrophobicContact CB-SD 4.49Å
118	I	96.7	Very high	96	Very high	19 Å²	19	41.8 Å²	41.8	10%	0.097	21%	0.213	C	C	.	.			trans	-125.4	159.3	173.1	65.9	174.7	0	0	0	110.2	L121 M193 N442 F445 G446 I448	I118-L121 HydrophobicContact CD1-CD2 4.41Å; I118-L121 HydrophobicContact CG1-CD1 4.04Å; I118-L121 HydrophobicContact CG1-CD2 3.93Å; I118-L121 HydrophobicContact CG1-CG 3.86Å; I118-L121 WeakPolarHBondContact O-CD1 3.47Å; I118-L121 VanDerWaalsContact O-CG 3.27Å; I118-L121 WeakPolarHBondContact O-CG 3.48Å; I118-M193 WeakPolarHBondContact O-CE 3.38Å; I118-N442 HydrophobicContact CG2-CB 3.52Å; I118-F445 HydrophobicContact CD1-CB 3.49Å; I118-F445 VanDerWaalsContact CD1-CB 3.49Å; I118-F445 HydrophobicContact CG1-CB 3.76Å; I118-F445 HydrophobicContact CG1-CG 4.39Å; I118-G446 WeakPolarHBondContact CD1-O 3.29Å; I118-I448 HydrophobicContact CB-CG2 4.01Å; I118-I448 HydrophobicContact CD1-CG2 4.08Å; I118-I448 HydrophobicContact CG1-CG2 4.38Å
119	R	95.1	Very high	96	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.015	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	143.6	176.7	-170.6	176.9	-179.1	-177.3	4.8	111.3	M185 D358 E381 F458	R119-M185 PolarHBondContact NE-O 3.45Å; R119-M185 PolarHBondContact NH2-O 2.89Å; R119-D358 PolarHBondContact NH2-O 3.3Å; R119-D358 IonicContact NH2-OD2 3.04Å; R119-E381 WeakPolarHBondContact CB-OE1 3.15Å; R119-E381 WeakPolarHBondContact CD-OE1 3.3Å; R119-F458 HydrophobicContact CG-CE2 4.22Å
120	G	94.1	Very high	96	Very high	8 Å²	8	31.5 Å²	31.5	8%	0.082	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.9	1.4	174.1	0	0	0	0	0	115.7	H122 Q183 F184	G120-H122 PolarHBondContact O-CE1 3.26Å; G120-H122 PolarHBondContact O-ND1 3.05Å; G120-Q183 PolarHBondContact O-NE2 2.8Å; G120-F184 WeakPolarHBondContact CA-O 3.39Å; G120-F184 PolarHBondContact N-O 3.36Å
121	L	96.9	Very high	96	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	17%	0.165	C	C	.	.			trans	-67	164	175.6	-63.3	176	0	0	0	112.4	A117 I118 L130 K132 F184 M193 F445	A117-L121 HydrophobicContact CB-CD1 4.31Å; I118-L121 HydrophobicContact CD1-CD2 4.41Å; I118-L121 HydrophobicContact CG1-CD1 4.04Å; I118-L121 HydrophobicContact CG1-CD2 3.93Å; I118-L121 HydrophobicContact CG1-CG 3.86Å; I118-L121 WeakPolarHBondContact O-CD1 3.47Å; I118-L121 VanDerWaalsContact O-CG 3.27Å; I118-L121 WeakPolarHBondContact O-CG 3.48Å; L121-L130 HydrophobicContact CB-CD1 3.92Å; L121-L130 HydrophobicContact CD1-CD1 4.23Å; L121-L130 HydrophobicContact CD1-CD2 4.04Å; L121-L130 HydrophobicContact CD1-CG 4.1Å; L121-K132 HydrophobicContact CD2-CB 3.76Å; L121-K132 HydrophobicContact CD2-CG 4.06Å; L121-F184 PolarHBondContact O-N 2.79Å; L121-M193 HydrophobicContact CB-SD 3.76Å; L121-M193 HydrophobicContact CD1-SD 4.12Å; L121-M193 HydrophobicContact CG-SD 4.39Å; L121-F445 HydrophobicContact CD1-CD1 3.91Å; L121-F445 HydrophobicContact CD1-CD2 3.72Å; L121-F445 HydrophobicContact CD1-CE1 3.9Å; L121-F445 HydrophobicContact CD1-CE2 3.74Å; L121-F445 HydrophobicContact CD1-CG 3.83Å; L121-F445 HydrophobicContact CD1-CZ 3.84Å; L121-F445 HydrophobicContact CD2-CB 4.05Å; L121-F445 HydrophobicContact CD2-CD1 3.46Å; L121-F445 VanDerWaalsContact CD2-CD1 3.46Å; L121-F445 HydrophobicContact CD2-CE1 4.01Å; L121-F445 HydrophobicContact CD2-CG 3.76Å; L121-F445 HydrophobicContact CG-CD1 4.35Å; L121-F445 HydrophobicContact CG-CG 4.43Å
122	H	96.3	Very high	96	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.7	179.8	-63.7	72.3	0	0	0	110.3	G120 L130 M131 I133 M171 I181 K182 Q183 Y457	G120-H122 PolarHBondContact O-CE1 3.26Å; G120-H122 PolarHBondContact O-ND1 3.05Å; H122-L130 CarbonylContact O-C 3.58Å; H122-L130 WeakPolarHBondContact O-CA 3.39Å; H122-M131 HydrophobicContact CB-CG 4.05Å; H122-M131 PolarHBondContact N-O 2.66Å; H122-M131 PolarHBondContact O-N 2.79Å; H122-I133 HydrophobicContact CB-CD1 3.65Å; H122-I133 HydrophobicContact CB-CG1 4.08Å; H122-I133 VanDerWaalsContact CG-CD1 3.49Å; H122-M171 VanDerWaalsContact CD2-CE 3.47Å; H122-M171 WeakPolarHBondContact CD2-CE 3.15Å; H122-M171 WeakPolarHBondContact NE2-CE 3.23Å; H122-I181 HydrophobicContact CB-CG2 3.8Å; H122-K182 CarbonylContact C-O 3.28Å; H122-K182 VanDerWaalsContact CA-O 3.25Å; H122-K182 WeakPolarHBondContact CA-O 2.97Å; H122-Q183 PolarHBondContact CE1-NE2 2.83Å; H122-Q183 WeakPolarHBondContact NE2-CG 3.36Å; H122-Y457 AromaticContact CE1-CD1 3.85Å; H122-Y457 AromaticContact NE2-CD1 3.54Å
123	Y	96.7	Very high	95.9	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.016	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	115.3	175.2	-172.8	-96.7	0	0	0	110.4	I125 S128 L129 L130 I181 K182 F184 Y216	Y123-I125 HydrophobicContact CD1-CG1 4.1Å; Y123-I125 HydrophobicContact CE1-CG1 4.44Å; Y123-I125 PolarHBondContact O-N 2.98Å; Y123-S128 WeakPolarHBondContact OH-CA 3.47Å; Y123-S128 WeakPolarHBondContact OH-CB 3.4Å; Y123-L129 CarbonylContact C-O 3.23Å; Y123-L129 VanDerWaalsContact CA-O 3.25Å; Y123-L129 WeakPolarHBondContact CA-O 3.4Å; Y123-L130 HydrophobicContact CD2-CB 4.13Å; Y123-L130 HydrophobicContact CD2-CD1 4.32Å; Y123-I181 CarbonylContact O-C 3.53Å; Y123-I181 VanDerWaalsContact O-CA 3.3Å; Y123-I181 WeakPolarHBondContact O-CA 3.49Å; Y123-K182 PolarHBondContact N-O 3.29Å; Y123-K182 PolarHBondContact O-N 2.95Å; Y123-F184 HydrophobicContact CG-CE2 4.33Å; Y123-Y216 AromaticContact CD1-CD2 3.77Å; Y123-Y216 HydrophobicContact CD1-CD2 3.77Å; Y123-Y216 HydrophobicContact CD1-CE2 4.17Å; Y123-Y216 AromaticContact CE1-CD2 3.82Å; Y123-Y216 HydrophobicContact CE1-CD2 3.82Å
124	D	96	Very high	95.9	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	107.7	170.8	-174.7	-31.8	0	0	0	108.5	Q126 K127 S128 L129 M131 Y160 I181	D124-Q126 VanDerWaalsContact C-N 3.32Å; D124-Q126 PolarHBondContact O-N 3.11Å; D124-Q126 PolarHBondContact OD1-N 3.37Å; D124-Q126 VanDerWaalsContact OD1-N 3.08Å; D124-K127 HydrophobicContact CB-CB 4.26Å; D124-K127 PolarHBondContact O-N 2.82Å; D124-K127 PolarHBondContact OD1-N 2.86Å; D124-K127 VanDerWaalsContact OD1-N 3.1Å; D124-K127 WeakPolarHBondContact OD2-CD 3.27Å; D124-K127 IonicContact OD2-NZ 2.86Å; D124-K127 PolarHBondContact OD2-NZ 3.07Å; D124-S128 WeakPolarHBondContact O-CA 3.38Å; D124-S128 PolarHBondContact O-N 2.77Å; D124-L129 HydrophobicContact CB-CB 4.4Å; D124-L129 PolarHBondContact N-O 3.11Å; D124-L129 PolarHBondContact O-N 2.82Å; D124-M131 HydrophobicContact CB-CE 3.81Å; D124-Y160 WeakPolarHBondContact CB-OH 3.49Å; D124-Y160 WeakPolarHBondContact OD2-CE1 3.43Å; D124-Y160 PolarHBondContact OD2-OH 2.86Å; D124-I181 HydrophobicContact CB-CD1 4.49Å; D124-I181 HydrophobicContact CB-CG1 3.94Å
125	I	94.9	Very high	95.9	Very high	20 Å²	20	16.3 Å²	16.3	10%	0.103	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-43.8	-174.7	-61.9	169.4	0	0	0	109.9	Y123 K127 S128 S180 Q212 A213 Y216	Y123-I125 HydrophobicContact CD1-CG1 4.1Å; Y123-I125 HydrophobicContact CE1-CG1 4.44Å; Y123-I125 PolarHBondContact O-N 2.98Å; I125-K127 VanDerWaalsContact C-N 3.32Å; I125-K127 PolarHBondContact O-N 3.46Å; I125-S128 PolarHBondContact O-N 3.4Å; I125-S180 PolarHBondContact N-O 3.28Å; I125-Q212 WeakPolarHBondContact O-CB 3.14Å; I125-A213 HydrophobicContact CG2-CB 4.39Å; I125-Y216 HydrophobicContact CD1-CD1 3.68Å; I125-Y216 HydrophobicContact CD1-CD2 4.3Å; I125-Y216 HydrophobicContact CD1-CE1 3.62Å; I125-Y216 HydrophobicContact CD1-CE2 4.21Å; I125-Y216 HydrophobicContact CD1-CG 4.04Å; I125-Y216 HydrophobicContact CG1-CD1 4.03Å; I125-Y216 HydrophobicContact CG1-CD2 3.88Å; I125-Y216 HydrophobicContact CG1-CE1 4.28Å; I125-Y216 HydrophobicContact CG1-CE2 4.09Å; I125-Y216 HydrophobicContact CG1-CG 3.85Å; I125-Y216 HydrophobicContact CG2-CD1 4.33Å; I125-Y216 HydrophobicContact CG2-CG 4.1Å
126	Q	93.3	Very high	95.8	Very high	113 Å²	113	18.7 Å²	18.7	53%	0.528	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-31.4	-174.9	-63.4	-63.2	-54.1	0	0	112.1	D124	D124-Q126 VanDerWaalsContact C-N 3.32Å; D124-Q126 PolarHBondContact O-N 3.11Å; D124-Q126 PolarHBondContact OD1-N 3.37Å; D124-Q126 VanDerWaalsContact OD1-N 3.08Å
127	K	94.1	Very high	95.7	Very high	50 Å²	50	19.2 Å²	19.2	22%	0.217	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-6.9	-179.6	-58.2	-175	-170.5	62.3	0	114.1	D124 I125 L129 L159 Y160	D124-K127 HydrophobicContact CB-CB 4.26Å; D124-K127 PolarHBondContact O-N 2.82Å; D124-K127 PolarHBondContact OD1-N 2.86Å; D124-K127 VanDerWaalsContact OD1-N 3.1Å; D124-K127 WeakPolarHBondContact OD2-CD 3.27Å; D124-K127 IonicContact OD2-NZ 2.86Å; D124-K127 PolarHBondContact OD2-NZ 3.07Å; I125-K127 VanDerWaalsContact C-N 3.32Å; I125-K127 PolarHBondContact O-N 3.46Å; K127-L129 VanDerWaalsContact C-N 3.26Å; K127-L129 HydrophobicContact CB-CB 4.42Å; K127-L129 HydrophobicContact CB-CD1 3.95Å; K127-L129 HydrophobicContact CB-CG 3.86Å; K127-L129 HydrophobicContact CD-CD1 4.21Å; K127-L129 PolarHBondContact O-N 3.24Å; K127-L159 HydrophobicContact CD-CB 4.06Å; K127-L159 HydrophobicContact CD-CD2 4.41Å; K127-L159 WeakPolarHBondContact CE-O 3.34Å; K127-Y160 HydrophobicContact CD-CE1 4.1Å; K127-Y160 HydrophobicContact CD-CE2 4.39Å
128	S	96.1	Very high	95.6	Very high	4 Å²	4	23.5 Å²	23.5	3%	0.028	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	44.4	-171.7	-61.1	0	0	0	0	113	Y123 D124 I125 Q212	Y123-S128 WeakPolarHBondContact OH-CA 3.47Å; Y123-S128 WeakPolarHBondContact OH-CB 3.4Å; D124-S128 WeakPolarHBondContact O-CA 3.38Å; D124-S128 PolarHBondContact O-N 2.77Å; I125-S128 PolarHBondContact O-N 3.4Å; S128-Q212 WeakPolarHBondContact OG-CG 3.28Å
129	L	97.2	Very high	95.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.8	-177.7	-69.8	-179.3	0	0	0	111.4	Y123 D124 K127 M131 Y145 R146 V151 L159 Y160	Y123-L129 CarbonylContact C-O 3.23Å; Y123-L129 VanDerWaalsContact CA-O 3.25Å; Y123-L129 WeakPolarHBondContact CA-O 3.4Å; D124-L129 HydrophobicContact CB-CB 4.4Å; D124-L129 PolarHBondContact N-O 3.11Å; D124-L129 PolarHBondContact O-N 2.82Å; K127-L129 VanDerWaalsContact C-N 3.26Å; K127-L129 HydrophobicContact CB-CB 4.42Å; K127-L129 HydrophobicContact CB-CD1 3.95Å; K127-L129 HydrophobicContact CB-CG 3.86Å; K127-L129 HydrophobicContact CD-CD1 4.21Å; K127-L129 PolarHBondContact O-N 3.24Å; L129-M131 HydrophobicContact CB-CE 3.32Å; L129-M131 HydrophobicContact CD1-CE 4.08Å; L129-M131 HydrophobicContact CG-CE 4.36Å; L129-M131 WeakPolarHBondContact O-CE 3.37Å; L129-Y145 CarbonylContact C-O 3.41Å; L129-Y145 WeakPolarHBondContact CA-O 3.3Å; L129-R146 HydrophobicContact CD2-CB 3.85Å; L129-R146 HydrophobicContact CD2-CG 4.39Å; L129-V151 HydrophobicContact CD2-CB 4.49Å; L129-V151 HydrophobicContact CD2-CG2 3.64Å; L129-L159 HydrophobicContact CD1-CD1 3.87Å; L129-Y160 HydrophobicContact CD1-CE2 4.28Å
130	L	98.3	Very high	95.6	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	125.4	165	-173	67	0	0	0	108.9	F116 L121 H122 Y123 A144 Y145 M193 F445	F116-L130 HydrophobicContact CE1-CD2 3.86Å; F116-L130 HydrophobicContact CZ-CD2 4.32Å; L121-L130 HydrophobicContact CB-CD1 3.92Å; L121-L130 HydrophobicContact CD1-CD1 4.23Å; L121-L130 HydrophobicContact CD1-CD2 4.04Å; L121-L130 HydrophobicContact CD1-CG 4.1Å; H122-L130 CarbonylContact O-C 3.58Å; H122-L130 WeakPolarHBondContact O-CA 3.39Å; Y123-L130 HydrophobicContact CD2-CB 4.13Å; Y123-L130 HydrophobicContact CD2-CD1 4.32Å; L130-A144 CarbonylContact O-C 3.54Å; L130-A144 WeakPolarHBondContact O-CA 3.25Å; L130-Y145 PolarHBondContact N-O 2.6Å; L130-Y145 PolarHBondContact O-N 3.38Å; L130-M193 HydrophobicContact CD1-CB 4.48Å; L130-M193 HydrophobicContact CD1-CG 4.09Å; L130-M193 HydrophobicContact CD1-SD 3.91Å; L130-M193 HydrophobicContact CD2-CB 4.42Å; L130-F445 HydrophobicContact CD2-CE2 4.28Å; L130-F445 HydrophobicContact CD2-CZ 3.79Å; L130-F445 HydrophobicContact CG-CE1 4.42Å; L130-F445 HydrophobicContact CG-CZ 4.04Å
131	M	97.3	Very high	95.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	154.7	-171.8	68.3	-168.2	70.6	0	0	113.3	H122 D124 L129 I133 V139 T143 A144 Y160	H122-M131 HydrophobicContact CB-CG 4.05Å; H122-M131 PolarHBondContact N-O 2.66Å; H122-M131 PolarHBondContact O-N 2.79Å; D124-M131 HydrophobicContact CB-CE 3.81Å; L129-M131 HydrophobicContact CB-CE 3.32Å; L129-M131 HydrophobicContact CD1-CE 4.08Å; L129-M131 HydrophobicContact CG-CE 4.36Å; L129-M131 WeakPolarHBondContact O-CE 3.37Å; M131-I133 HydrophobicContact CG-CD1 4.12Å; M131-I133 HydrophobicContact CG-CG1 3.93Å; M131-I133 HydrophobicContact SD-CD1 4.05Å; M131-I133 HydrophobicContact SD-CG1 4.29Å; M131-V139 HydrophobicContact CB-CG1 4.1Å; M131-V139 HydrophobicContact CG-CG2 4.47Å; M131-V139 HydrophobicContact SD-CG2 3.6Å; M131-V139 VanDerWaalsContact SD-CG2 3.6Å; M131-T143 WeakPolarHBondContact CA-O 3.45Å; M131-A144 HydrophobicContact CB-CB 4.49Å; M131-Y160 HydrophobicContact CE-CE2 4.28Å; M131-Y160 WeakPolarHBondContact CE-OH 3.36Å; M131-Y160 HydrophobicContact SD-CE2 4.44Å
132	K	97.2	Very high	95.4	Very high	7 Å²	7	27.1 Å²	27.1	3%	0.03	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.5	171	-166.9	174.9	177.5	-162.5	0	110.6	L121 V139 Q140 T143 F445 S447 R450 T456	L121-K132 HydrophobicContact CD2-CB 3.76Å; L121-K132 HydrophobicContact CD2-CG 4.06Å; K132-V139 WeakPolarHBondContact O-CA 3.29Å; K132-Q140 HydrophobicContact CB-CB 4.48Å; K132-Q140 PolarHBondContact O-N 3.46Å; K132-T143 VanDerWaalsContact CB-OG1 3.32Å; K132-T143 WeakPolarHBondContact CB-OG1 3.16Å; K132-F445 HydrophobicContact CB-CD1 4.26Å; K132-F445 HydrophobicContact CD-CB 4.33Å; K132-F445 WeakPolarHBondContact CD-O 3.25Å; K132-F445 VanDerWaalsContact CE-O 3.32Å; K132-F445 WeakPolarHBondContact CE-O 3.47Å; K132-F445 PolarHBondContact NZ-O 3.37Å; K132-S447 WeakPolarHBondContact CE-O 3.21Å; K132-S447 PolarHBondContact NZ-O 3.23Å; K132-R450 PolarHBondContact NZ-O 2.98Å; K132-T456 VanDerWaalsContact CE-CG2 3.4Å
133	I	95.8	Very high	95.4	Very high	3 Å²	3	27 Å²	27	2%	0.015	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.6	-177.2	-56.6	-175.6	0	0	0	109.7	H122 M131 H137 Y138 V139 I166 M171 Y457	H122-I133 HydrophobicContact CB-CD1 3.65Å; H122-I133 HydrophobicContact CB-CG1 4.08Å; H122-I133 VanDerWaalsContact CG-CD1 3.49Å; M131-I133 HydrophobicContact CG-CD1 4.12Å; M131-I133 HydrophobicContact CG-CG1 3.93Å; M131-I133 HydrophobicContact SD-CD1 4.05Å; M131-I133 HydrophobicContact SD-CG1 4.29Å; I133-H137 HydrophobicContact CG2-CB 4.49Å; I133-Y138 WeakPolarHBondContact CA-O 3.35Å; I133-V139 HydrophobicContact CG1-CG2 4.39Å; I133-I166 HydrophobicContact CD1-CG1 3.9Å; I133-M171 HydrophobicContact CD1-CE 4.01Å; I133-M171 HydrophobicContact CG2-CE 4.18Å; I133-Y457 PolarHBondContact O-N 2.82Å
134	D	95.6	Very high	95.4	Very high	8 Å²	8	27 Å²	27	4%	0.043	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-81.6	174.6	176.7	83.1	3.4	0	0	0	113.6	F136 H137 Y138 T451 N454	D134-F136 PolarHBondContact O-N 2.9Å; D134-F136 VanDerWaalsContact O-N 3.1Å; D134-F136 WeakPolarHBondContact OD1-CA 3.32Å; D134-F136 WeakPolarHBondContact OD1-CB 3.14Å; D134-F136 PolarHBondContact OD1-N 3Å; D134-H137 PolarHBondContact O-N 3.08Å; D134-H137 VanDerWaalsContact O-N 3.1Å; D134-H137 PolarHBondContact OD1-N 2.86Å; D134-H137 VanDerWaalsContact OD1-N 3.13Å; D134-Y138 PolarHBondContact N-O 3.4Å; D134-Y138 PolarHBondContact OD1-N 3.21Å; D134-T451 HydrophobicContact CB-CG2 3.67Å; D134-N454 HydrophobicContact CB-CB 4.03Å; D134-N454 PolarHBondContact OD2-ND2 3.29Å
135	A	94.3	Very high	95.5	Very high	11 Å²	11	28.3 Å²	28.3	9%	0.091	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.4	-179.4	0	0	0	0	0	114.2	P455 R460	A135-P455 HydrophobicContact CB-CB 4.28Å; A135-P455 VanDerWaalsContact CB-O 3.3Å; A135-P455 WeakPolarHBondContact CB-O 3.3Å; A135-P455 PolarHBondContact N-O 2.83Å; A135-R460 HydrophobicContact CB-CB 3.87Å; A135-R460 HydrophobicContact CB-CG 4.4Å; A135-R460 VanDerWaalsContact O-CD 3.28Å; A135-R460 WeakPolarHBondContact O-CD 3.42Å; A135-R460 PolarHBondContact O-NH1 2.77Å
136	F	93.1	Very high	95.7	Very high	117 Å²	117	30.5 Å²	30.5	51%	0.513	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	10.2	-178	-56.4	-79.1	0	0	0	112.8	D134 Y138 N454	D134-F136 PolarHBondContact O-N 2.9Å; D134-F136 VanDerWaalsContact O-N 3.1Å; D134-F136 WeakPolarHBondContact OD1-CA 3.32Å; D134-F136 WeakPolarHBondContact OD1-CB 3.14Å; D134-F136 PolarHBondContact OD1-N 3Å; F136-Y138 VanDerWaalsContact C-N 3.34Å; F136-Y138 HydrophobicContact CB-CD2 3.8Å; F136-Y138 HydrophobicContact CB-CE2 4.11Å; F136-Y138 WeakPolarHBondContact O-CD2 3.35Å; F136-N454 HydrophobicContact CD2-CB 4.15Å; F136-N454 HydrophobicContact CE2-CB 4.09Å
137	H	94.3	Very high	95.8	Very high	20 Å²	20	25.3 Å²	25.3	9%	0.093	12%	0.124	C	C	.	.	S	Bend	trans	68.9	24	-178.6	-40.2	130.9	0	0	0	114.8	I133 D134 H165 I166 M171 Y457 R460	I133-H137 HydrophobicContact CG2-CB 4.49Å; D134-H137 PolarHBondContact O-N 3.08Å; D134-H137 VanDerWaalsContact O-N 3.1Å; D134-H137 PolarHBondContact OD1-N 2.86Å; D134-H137 VanDerWaalsContact OD1-N 3.13Å; H137-H165 WeakPolarHBondContact O-CA 3.37Å; H137-I166 HydrophobicContact CB-CB 4.46Å; H137-I166 VanDerWaalsContact CB-O 3.27Å; H137-I166 WeakPolarHBondContact CB-O 3.31Å; H137-I166 PolarHBondContact O-N 3.41Å; H137-M171 HydrophobicContact CB-SD 4Å; H137-M171 VanDerWaalsContact CD2-SD 3.56Å; H137-Y457 AromaticContact CD2-CD2 3.65Å; H137-Y457 AromaticContact CD2-CE2 3.42Å; H137-Y457 VanDerWaalsContact CD2-CE2 3.42Å; H137-Y457 WeakPolarHBondContact CD2-CE2 3.49Å; H137-Y457 AromaticContact NE2-CE2 3.37Å; H137-Y457 WeakPolarHBondContact NE2-CE2 3.39Å; H137-R460 PolarHBondContact NE2-NH1 3.06Å; H137-R460 VanDerWaalsContact NE2-NH1 3.16Å
138	Y	95.3	Very high	96	Very high	101 Å²	101	25.2 Å²	25.2	40%	0.396	13%	0.126	S	C	.	.	B	Isolated β-bridge	trans	-92	133.2	171.5	-70.4	-96.2	0	0	0	110.6	I133 D134 F136 Q140 Q164 H165	I133-Y138 WeakPolarHBondContact CA-O 3.35Å; D134-Y138 PolarHBondContact N-O 3.4Å; D134-Y138 PolarHBondContact OD1-N 3.21Å; F136-Y138 VanDerWaalsContact C-N 3.34Å; F136-Y138 HydrophobicContact CB-CD2 3.8Å; F136-Y138 HydrophobicContact CB-CE2 4.11Å; F136-Y138 WeakPolarHBondContact O-CD2 3.35Å; Y138-Q140 PolarHBondContact O-N 3.43Å; Y138-Q164 WeakPolarHBondContact CA-O 3.48Å; Y138-Q164 HydrophobicContact CD1-CB 4.11Å; Y138-H165 HydrophobicContact CD1-CB 3.99Å; Y138-H165 HydrophobicContact CE1-CB 3.64Å; Y138-H165 HydrophobicContact CE2-CB 4.47Å; Y138-H165 AromaticContact CE2-CD2 3.81Å; Y138-H165 AromaticContact CZ-CD2 3.94Å
139	V	96.1	Very high	96.1	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.012	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	127.8	168.1	-179	0	0	0	0	108.5	M131 K132 I133 L141 V156 Q164 I166	M131-V139 HydrophobicContact CB-CG1 4.1Å; M131-V139 HydrophobicContact CG-CG2 4.47Å; M131-V139 HydrophobicContact SD-CG2 3.6Å; M131-V139 VanDerWaalsContact SD-CG2 3.6Å; K132-V139 WeakPolarHBondContact O-CA 3.29Å; I133-V139 HydrophobicContact CG1-CG2 4.39Å; V139-L141 PolarHBondContact O-N 3.01Å; V139-V156 HydrophobicContact CG1-CG1 4.2Å; V139-Q164 HydrophobicContact CB-CB 4.48Å; V139-Q164 PolarHBondContact N-O 3.15Å; V139-Q164 PolarHBondContact O-OE1 3.32Å; V139-I166 HydrophobicContact CG2-CD1 3.86Å; V139-I166 HydrophobicContact CG2-CG1 3.89Å
140	Q	95.3	Very high	96.1	Very high	12 Å²	12	34.5 Å²	34.5	6%	0.056	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	119.7	171.7	-179.7	-178.1	-23.7	0	0	108.8	K132 Y138 T143 T451 F452	K132-Q140 HydrophobicContact CB-CB 4.48Å; K132-Q140 PolarHBondContact O-N 3.46Å; Y138-Q140 PolarHBondContact O-N 3.43Å; Q140-T143 HydrophobicContact CB-CG2 4.14Å; Q140-T143 HydrophobicContact CG-CG2 3.83Å; Q140-T143 WeakPolarHBondContact O-CB 3.31Å; Q140-T143 PolarHBondContact O-N 3.39Å; Q140-T143 PolarHBondContact O-OG1 3.47Å; Q140-T451 HydrophobicContact CB-CG2 4.08Å; Q140-T451 HydrophobicContact CG-CG2 4.46Å; Q140-F452 HydrophobicContact CG-CD2 4.24Å; Q140-F452 HydrophobicContact CG-CE2 4.06Å
141	L	91.8	Very high	96.1	Very high	55 Å²	55	34.9 Å²	34.9	29%	0.288	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	145	173.7	-69.5	-166.9	0	0	0	112.8	V139 T143 D153 Q164	V139-L141 PolarHBondContact O-N 3.01Å; L141-T143 PolarHBondContact O-N 3.37Å; L141-D153 WeakPolarHBondContact CA-OD1 3.43Å; L141-D153 WeakPolarHBondContact CB-OD2 3.4Å; L141-D153 HydrophobicContact CD1-CB 4.26Å; L141-D153 HydrophobicContact CD2-CB 3.76Å; L141-D153 HydrophobicContact CG-CB 4.41Å; L141-Q164 HydrophobicContact CD2-CG 3.77Å; L141-Q164 VanDerWaalsContact CD2-NE2 3.32Å
142	G	93.6	Very high	96.1	Very high	39 Å²	39	38.2 Å²	38.2	40%	0.402	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	69.3	18.9	-175	0	0	0	0	0	114.1	D153	G142-D153 PolarHBondContact N-OD1 2.91Å
143	T	96.3	Very high	96	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	17.1	179.3	75.5	0	0	0	0	113.8	M131 K132 Q140 L141 F445	M131-T143 WeakPolarHBondContact CA-O 3.45Å; K132-T143 VanDerWaalsContact CB-OG1 3.32Å; K132-T143 WeakPolarHBondContact CB-OG1 3.16Å; Q140-T143 HydrophobicContact CB-CG2 4.14Å; Q140-T143 HydrophobicContact CG-CG2 3.83Å; Q140-T143 WeakPolarHBondContact O-CB 3.31Å; Q140-T143 PolarHBondContact O-N 3.39Å; Q140-T143 PolarHBondContact O-OG1 3.47Å; L141-T143 PolarHBondContact O-N 3.37Å; T143-F445 WeakPolarHBondContact O-CE1 3.38Å
144	A	97.8	Very high	96.1	Very high	2 Å²	2	46.5 Å²	46.5	2%	0.017	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132.3	172.9	0	0	0	0	0	110.1	L130 M131 V151 V156	L130-A144 CarbonylContact O-C 3.54Å; L130-A144 WeakPolarHBondContact O-CA 3.25Å; M131-A144 HydrophobicContact CB-CB 4.49Å; A144-V151 HydrophobicContact CB-CB 4.34Å; A144-V151 PolarHBondContact O-N 2.97Å; A144-V156 HydrophobicContact CB-CG2 3.47Å; A144-V156 VanDerWaalsContact CB-CG2 3.47Å
145	Y	98.5	Very high	96.2	Very high	29 Å²	29	49.1 Å²	49.1	11%	0.114	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.6	-178.7	-74.7	-99.9	0	0	0	110.4	F116 L129 L130 Q149 P150 Q444 F445	F116-Y145 HydrophobicContact CE2-CD1 4.13Å; F116-Y145 HydrophobicContact CE2-CE1 4.48Å; F116-Y145 HydrophobicContact CZ-CD1 4.48Å; L129-Y145 CarbonylContact C-O 3.41Å; L129-Y145 WeakPolarHBondContact CA-O 3.3Å; L130-Y145 PolarHBondContact N-O 2.6Å; L130-Y145 PolarHBondContact O-N 3.38Å; Y145-Q149 CarbonylContact C-O 3.53Å; Y145-Q149 VanDerWaalsContact CA-O 3.29Å; Y145-Q149 WeakPolarHBondContact CA-O 3.44Å; Y145-P150 HydrophobicContact CD1-CB 4.3Å; Y145-P150 HydrophobicContact CE1-CB 3.85Å; Y145-P150 HydrophobicContact CE1-CG 4.46Å; Y145-Q444 HydrophobicContact CE1-CG 4.22Å; Y145-Q444 HydrophobicContact CE2-CB 3.86Å; Y145-Q444 HydrophobicContact CE2-CG 4.29Å; Y145-Q444 WeakPolarHBondContact OH-CG 3.48Å; Y145-F445 AromaticContact CD2-CE1 3.73Å; Y145-F445 HydrophobicContact CD2-CE1 3.73Å; Y145-F445 HydrophobicContact CD2-CE2 4.4Å; Y145-F445 AromaticContact CD2-CZ 3.54Å; Y145-F445 HydrophobicContact CD2-CZ 3.54Å; Y145-F445 HydrophobicContact CE2-CE1 4.16Å; Y145-F445 HydrophobicContact CE2-CZ 4.04Å; Y145-F445 HydrophobicContact CG-CZ 4.22Å
146	R	97.7	Very high	96.3	Very high	67 Å²	67	48.7 Å²	48.7	25%	0.253	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	111.2	169.1	-168.1	-175.1	-73.6	132.4	4	107.3	L129 L148 Q149 V151 E155 V200 L204	L129-R146 HydrophobicContact CD2-CB 3.85Å; L129-R146 HydrophobicContact CD2-CG 4.39Å; R146-L148 PolarHBondContact O-N 3.11Å; R146-Q149 PolarHBondContact N-O 3.35Å; R146-Q149 PolarHBondContact O-N 3.43Å; R146-V151 HydrophobicContact CB-CG2 3.63Å; R146-E155 IonicContact CZ-OE1 3.77Å; R146-E155 IonicContact NH1-OE1 3.96Å; R146-E155 PolarHBondContact NH1-OE1 2.86Å; R146-E155 IonicContact NH2-OE1 2.76Å; R146-E155 PolarHBondContact NH2-OE1 3.23Å; R146-V200 HydrophobicContact CG-CG1 4.33Å; R146-L204 HydrophobicContact CG-CD1 3.73Å
147	G	97.1	Very high	96.4	Very high	3 Å²	3	45.5 Å²	45.5	3%	0.031	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	-124.1	-164.4	0	0	0	0	0	110.8	S197	G147-S197 CarbonylContact C-O 3.56Å; G147-S197 WeakPolarHBondContact CA-O 3.38Å; G147-S197 WeakPolarHBondContact O-CB 3.4Å; G147-S197 PolarHBondContact O-OG 2.77Å
148	L	97.3	Very high	96.5	Very high	49 Å²	49	51.9 Å²	51.9	26%	0.257	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-1.3	174.1	-60.4	172.8	0	0	0	112.8	Y110 F116 R146 D201	Y110-L148 HydrophobicContact CD1-CD1 3.98Å; Y110-L148 HydrophobicContact CE1-CD1 3.67Å; F116-L148 HydrophobicContact CD1-CD2 4.19Å; F116-L148 HydrophobicContact CD2-CD2 4.01Å; F116-L148 HydrophobicContact CE1-CD2 3.95Å; F116-L148 HydrophobicContact CE2-CD2 3.75Å; F116-L148 HydrophobicContact CG-CD2 4.22Å; F116-L148 HydrophobicContact CZ-CD2 3.72Å; R146-L148 PolarHBondContact O-N 3.11Å; L148-D201 HydrophobicContact CB-CB 4.19Å; L148-D201 HydrophobicContact CD1-CB 4.18Å; L148-D201 HydrophobicContact CG-CB 3.93Å; L148-D201 PolarHBondContact N-OD1 2.93Å
149	Q	97.5	Very high	96.5	Very high	115 Å²	115	50 Å²	50	54%	0.537	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	135.4	-178.5	-56.4	-52.1	-48.4	0	0	111.3	Y145 R146 D201	Y145-Q149 CarbonylContact C-O 3.53Å; Y145-Q149 VanDerWaalsContact CA-O 3.29Å; Y145-Q149 WeakPolarHBondContact CA-O 3.44Å; R146-Q149 PolarHBondContact N-O 3.35Å; R146-Q149 PolarHBondContact O-N 3.43Å; Q149-D201 PolarHBondContact NE2-OD1 3.35Å
150	P	97.4	Very high	96.3	Very high	83 Å²	83	51 Å²	51	54%	0.539	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	143	172.5	29.5	-33.8	0	0	0	110.1	Y145	Y145-P150 HydrophobicContact CD1-CB 4.3Å; Y145-P150 HydrophobicContact CE1-CB 3.85Å; Y145-P150 HydrophobicContact CE1-CG 4.46Å
151	V	97.9	Very high	96.1	Very high	9 Å²	9	53.9 Å²	53.9	6%	0.055	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-99.5	131.1	175.2	-176.1	0	0	0	0	108.9	L129 A144 R146 E155 V156	L129-V151 HydrophobicContact CD2-CB 4.49Å; L129-V151 HydrophobicContact CD2-CG2 3.64Å; A144-V151 HydrophobicContact CB-CB 4.34Å; A144-V151 PolarHBondContact O-N 2.97Å; R146-V151 HydrophobicContact CB-CG2 3.63Å; V151-E155 HydrophobicContact CG1-CB 3.95Å; V151-E155 HydrophobicContact CG1-CG 3.97Å; V151-V156 HydrophobicContact CB-CG2 4.11Å; V151-V156 HydrophobicContact CG1-CG2 3.82Å
152	P	97.6	Very high	96.2	Very high	70 Å²	70	54 Å²	54	46%	0.455	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-56	143.1	176	-25	34.7	0	0	0	112.4	E154 E155 V156	P152-E154 PolarHBondContact O-N 2.92Å; P152-E155 HydrophobicContact CB-CB 4.44Å; P152-E155 WeakPolarHBondContact O-CB 3.19Å; P152-E155 PolarHBondContact O-N 2.94Å; P152-E155 VanDerWaalsContact O-N 3.1Å; P152-V156 WeakPolarHBondContact O-CG2 3.48Å; P152-V156 PolarHBondContact O-N 2.86Å
153	D	96.4	Very high	96.2	Very high	44 Å²	44	54.8 Å²	54.8	24%	0.235	31%	0.311	C	S	.	.	H	α-helix	trans	-61.4	-35.4	-176.3	-72.2	-26.7	0	0	0	112	L141 G142 V156 I157	L141-D153 WeakPolarHBondContact CA-OD1 3.43Å; L141-D153 WeakPolarHBondContact CB-OD2 3.4Å; L141-D153 HydrophobicContact CD1-CB 4.26Å; L141-D153 HydrophobicContact CD2-CB 3.76Å; L141-D153 HydrophobicContact CG-CB 4.41Å; G142-D153 PolarHBondContact N-OD1 2.91Å; D153-V156 PolarHBondContact O-N 2.91Å; D153-I157 WeakPolarHBondContact O-CB 3.45Å; D153-I157 WeakPolarHBondContact O-CD1 3.48Å; D153-I157 WeakPolarHBondContact O-CG1 3.29Å; D153-I157 PolarHBondContact O-N 3.35Å
154	E	97.4	Very high	95.9	Very high	141 Å²	141	57.2 Å²	57.2	66%	0.659	32%	0.322	S	S	*	.	H	α-helix	trans	-62.6	-42.4	176.4	-61.6	74.8	-162.2	0	0	111.5	P152 I157 E158	P152-E154 PolarHBondContact O-N 2.92Å; E154-I157 PolarHBondContact O-N 3.14Å; E154-E158 PolarHBondContact O-N 2.95Å
155	E	97.1	Very high	95.7	Very high	63 Å²	63	60 Å²	60	29%	0.294	33%	0.334	S	S	.	.	H	α-helix	trans	-66.6	-41.9	176.7	-175.6	-173.9	156.2	0	0	110.5	R146 V151 P152 I157 E158 L159	R146-E155 IonicContact CZ-OE1 3.77Å; R146-E155 IonicContact NH1-OE1 3.96Å; R146-E155 PolarHBondContact NH1-OE1 2.86Å; R146-E155 IonicContact NH2-OE1 2.76Å; R146-E155 PolarHBondContact NH2-OE1 3.23Å; V151-E155 HydrophobicContact CG1-CB 3.95Å; V151-E155 HydrophobicContact CG1-CG 3.97Å; P152-E155 HydrophobicContact CB-CB 4.44Å; P152-E155 WeakPolarHBondContact O-CB 3.19Å; P152-E155 PolarHBondContact O-N 2.94Å; P152-E155 VanDerWaalsContact O-N 3.1Å; E155-I157 VanDerWaalsContact C-N 3.33Å; E155-I157 PolarHBondContact O-N 2.93Å; E155-E158 PolarHBondContact O-N 3Å; E155-L159 HydrophobicContact CG-CD1 4.07Å; E155-L159 HydrophobicContact CG-CG 4.35Å; E155-L159 WeakPolarHBondContact O-CB 3.28Å; E155-L159 VanDerWaalsContact O-CG 3.22Å; E155-L159 WeakPolarHBondContact O-CG 3.23Å; E155-L159 PolarHBondContact O-N 2.86Å
156	V	96.5	Very high	95.4	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.006	33%	0.329	C	S	.	.	H	α-helix	trans	-59.1	-46.4	175.5	177.7	0	0	0	0	110.6	V139 A144 V151 P152 D153 E158 L159 Y160	V139-V156 HydrophobicContact CG1-CG1 4.2Å; A144-V156 HydrophobicContact CB-CG2 3.47Å; A144-V156 VanDerWaalsContact CB-CG2 3.47Å; V151-V156 HydrophobicContact CB-CG2 4.11Å; V151-V156 HydrophobicContact CG1-CG2 3.82Å; P152-V156 WeakPolarHBondContact O-CG2 3.48Å; P152-V156 PolarHBondContact O-N 2.86Å; D153-V156 PolarHBondContact O-N 2.91Å; V156-E158 VanDerWaalsContact C-N 3.33Å; V156-E158 PolarHBondContact O-N 2.79Å; V156-L159 PolarHBondContact O-N 2.7Å; V156-Y160 HydrophobicContact CG1-CD2 4Å; V156-Y160 HydrophobicContact CG1-CE2 4.16Å; V156-Y160 WeakPolarHBondContact O-CD2 3.34Å; V156-Y160 PolarHBondContact O-N 2.91Å
157	I	96.4	Very high	95	Very high	50 Å²	50	57 Å²	57	26%	0.256	33%	0.327	S	S	.	.	H	α-helix	trans	-60.1	-44.2	178.2	-71.6	164.1	0	0	0	110.7	D153 E154 E155 Y160 G161 G162 T163 Q164	D153-I157 WeakPolarHBondContact O-CB 3.45Å; D153-I157 WeakPolarHBondContact O-CD1 3.48Å; D153-I157 WeakPolarHBondContact O-CG1 3.29Å; D153-I157 PolarHBondContact O-N 3.35Å; E154-I157 PolarHBondContact O-N 3.14Å; E155-I157 VanDerWaalsContact C-N 3.33Å; E155-I157 PolarHBondContact O-N 2.93Å; I157-Y160 CarbonylContact O-C 3.59Å; I157-Y160 PolarHBondContact O-N 3.47Å; I157-G161 PolarHBondContact O-N 3.28Å; I157-G162 VanDerWaalsContact CG2-C 3.49Å; I157-G162 WeakPolarHBondContact O-CA 3.36Å; I157-G162 PolarHBondContact O-N 3.14Å; I157-T163 PolarHBondContact O-N 3.44Å; I157-Q164 HydrophobicContact CD1-CG 4.47Å; I157-Q164 HydrophobicContact CG1-CG 3.79Å
158	E	96.3	Very high	94.3	Very high	154 Å²	154	60.9 Å²	60.9	72%	0.72	35%	0.347	S	S	*	.	H	α-helix	trans	-63.1	-46	177.8	-172.6	176	-178.5	0	0	111.9	E154 E155 V156 Y160 G161	E154-E158 PolarHBondContact O-N 2.95Å; E155-E158 PolarHBondContact O-N 3Å; V156-E158 VanDerWaalsContact C-N 3.33Å; V156-E158 PolarHBondContact O-N 2.79Å; E158-Y160 PolarHBondContact O-N 3.23Å; E158-Y160 VanDerWaalsContact O-N 3.1Å; E158-G161 PolarHBondContact O-N 3.01Å
159	L	93.7	Very high	93.5	Very high	63 Å²	63	65.6 Å²	65.6	33%	0.33	36%	0.363	S	S	.	.	H	α-helix	trans	-59.4	-23.8	178.3	-75.2	172.6	0	0	0	113.8	K127 L129 E155 V156	K127-L159 HydrophobicContact CD-CB 4.06Å; K127-L159 HydrophobicContact CD-CD2 4.41Å; K127-L159 WeakPolarHBondContact CE-O 3.34Å; L129-L159 HydrophobicContact CD1-CD1 3.87Å; E155-L159 HydrophobicContact CG-CD1 4.07Å; E155-L159 HydrophobicContact CG-CG 4.35Å; E155-L159 WeakPolarHBondContact O-CB 3.28Å; E155-L159 VanDerWaalsContact O-CG 3.22Å; E155-L159 WeakPolarHBondContact O-CG 3.23Å; E155-L159 PolarHBondContact O-N 2.86Å; V156-L159 PolarHBondContact O-N 2.7Å
160	Y	92.9	Very high	92.8	Very high	21 Å²	21	61.7 Å²	61.7	8%	0.082	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	22.8	177.5	-68.5	-68.4	0	0	0	113.1	D124 K127 L129 M131 V156 I157 E158 T163 I166	D124-Y160 WeakPolarHBondContact CB-OH 3.49Å; D124-Y160 WeakPolarHBondContact OD2-CE1 3.43Å; D124-Y160 PolarHBondContact OD2-OH 2.86Å; K127-Y160 HydrophobicContact CD-CE1 4.1Å; K127-Y160 HydrophobicContact CD-CE2 4.39Å; L129-Y160 HydrophobicContact CD1-CE2 4.28Å; M131-Y160 HydrophobicContact CE-CE2 4.28Å; M131-Y160 WeakPolarHBondContact CE-OH 3.36Å; M131-Y160 HydrophobicContact SD-CE2 4.44Å; V156-Y160 HydrophobicContact CG1-CD2 4Å; V156-Y160 HydrophobicContact CG1-CE2 4.16Å; V156-Y160 WeakPolarHBondContact O-CD2 3.34Å; V156-Y160 PolarHBondContact O-N 2.91Å; I157-Y160 CarbonylContact O-C 3.59Å; I157-Y160 PolarHBondContact O-N 3.47Å; E158-Y160 PolarHBondContact O-N 3.23Å; E158-Y160 VanDerWaalsContact O-N 3.1Å; Y160-T163 WeakPolarHBondContact CB-O 3.23Å; Y160-T163 VanDerWaalsContact O-CG2 3.28Å; Y160-T163 WeakPolarHBondContact O-CG2 3.47Å; Y160-I166 HydrophobicContact CD1-CD1 3.37Å; Y160-I166 HydrophobicContact CD2-CD1 4.04Å; Y160-I166 HydrophobicContact CE1-CD1 3.26Å; Y160-I166 HydrophobicContact CE2-CD1 3.96Å; Y160-I166 HydrophobicContact CG-CD1 3.79Å
161	G	91.7	Very high	91.9	Very high	73 Å²	73	58.5 Å²	58.5	75%	0.753	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	34.8	168.9	0	0	0	0	0	114	I157 E158	I157-G161 PolarHBondContact O-N 3.28Å; E158-G161 PolarHBondContact O-N 3.01Å
162	G	93.6	Very high	90.4	Very high	57 Å²	57	59.6 Å²	59.6	59%	0.588	33%	0.33	S	S	*	.	S	Bend	trans	85.1	13.5	179.8	0	0	0	0	0	114.1	I157	I157-G162 VanDerWaalsContact CG2-C 3.49Å; I157-G162 WeakPolarHBondContact O-CA 3.36Å; I157-G162 PolarHBondContact O-N 3.14Å
163	T	92.2	Very high	88.4	Confident	56 Å²	56	58.1 Å²	58.1	34%	0.344	33%	0.328	S	S	.	.	S	Bend	trans	-140.2	161.6	177.9	-176	0	0	0	0	111.3	I157 Y160 H165	I157-T163 PolarHBondContact O-N 3.44Å; Y160-T163 WeakPolarHBondContact CB-O 3.23Å; Y160-T163 VanDerWaalsContact O-CG2 3.28Å; Y160-T163 WeakPolarHBondContact O-CG2 3.47Å; T163-H165 HydrophobicContact CG2-CB 4.26Å; T163-H165 PolarHBondContact OG1-N 3.31Å
164	Q	90.9	Very high	86	Confident	51 Å²	51	64 Å²	64	24%	0.238	35%	0.352	C	S	.	.	S	Bend	trans	-93.5	-1.8	171.3	-62.5	158.7	28.7	0	0	112	Y138 V139 L141 I157	Y138-Q164 WeakPolarHBondContact CA-O 3.48Å; Y138-Q164 HydrophobicContact CD1-CB 4.11Å; V139-Q164 HydrophobicContact CB-CB 4.48Å; V139-Q164 PolarHBondContact N-O 3.15Å; V139-Q164 PolarHBondContact O-OE1 3.32Å; L141-Q164 HydrophobicContact CD2-CG 3.77Å; L141-Q164 VanDerWaalsContact CD2-NE2 3.32Å; I157-Q164 HydrophobicContact CD1-CG 4.47Å; I157-Q164 HydrophobicContact CG1-CG 3.79Å
165	H	94.4	Very high	83.3	Confident	60 Å²	60	65.6 Å²	65.6	28%	0.278	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-81	128.4	-175.4	176.3	-87.5	0	0	0	111.7	H137 Y138 T163	H137-H165 WeakPolarHBondContact O-CA 3.37Å; Y138-H165 HydrophobicContact CD1-CB 3.99Å; Y138-H165 HydrophobicContact CE1-CB 3.64Å; Y138-H165 HydrophobicContact CE2-CB 4.47Å; Y138-H165 AromaticContact CE2-CD2 3.81Å; Y138-H165 AromaticContact CZ-CD2 3.94Å; T163-H165 HydrophobicContact CG2-CB 4.26Å; T163-H165 PolarHBondContact OG1-N 3.31Å
166	I	91.9	Very high	80.5	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-95.9	120.6	176.4	-54.8	-53.6	0	0	0	110.2	I133 H137 V139 Y160 Q170 M171 I181	I133-I166 HydrophobicContact CD1-CG1 3.9Å; H137-I166 HydrophobicContact CB-CB 4.46Å; H137-I166 VanDerWaalsContact CB-O 3.27Å; H137-I166 WeakPolarHBondContact CB-O 3.31Å; H137-I166 PolarHBondContact O-N 3.41Å; V139-I166 HydrophobicContact CG2-CD1 3.86Å; V139-I166 HydrophobicContact CG2-CG1 3.89Å; Y160-I166 HydrophobicContact CD1-CD1 3.37Å; Y160-I166 HydrophobicContact CD2-CD1 4.04Å; Y160-I166 HydrophobicContact CE1-CD1 3.26Å; Y160-I166 HydrophobicContact CE2-CD1 3.96Å; Y160-I166 HydrophobicContact CG-CD1 3.79Å; I166-Q170 HydrophobicContact CG2-CB 4.35Å; I166-M171 HydrophobicContact CB-CG 4.48Å; I166-M171 HydrophobicContact CB-SD 4.16Å; I166-M171 HydrophobicContact CG2-CG 3.57Å; I166-M171 HydrophobicContact CG2-SD 3.89Å; I166-I181 HydrophobicContact CD1-CD1 4.49Å; I166-I181 HydrophobicContact CG2-CD1 3.29Å
167	P	88.2	Confident	78.3	Confident	34 Å²	34	74.7 Å²	74.7	22%	0.221	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-62.7	138.7	176.7	-23.5	34.2	0	0	0	113.1	Y169 Q170	P167-Y169 VanDerWaalsContact C-N 3.25Å; P167-Y169 HydrophobicContact CB-CD1 3.63Å; P167-Y169 HydrophobicContact CB-CE1 3.24Å; P167-Y169 HydrophobicContact CB-CG 4.5Å; P167-Y169 HydrophobicContact CG-CE1 3.99Å; P167-Y169 PolarHBondContact O-N 3.38Å; P167-Y169 VanDerWaalsContact O-N 3.13Å; P167-Q170 HydrophobicContact CB-CG 4.37Å; P167-Q170 WeakPolarHBondContact O-CB 3.25Å; P167-Q170 PolarHBondContact O-N 3.32Å
168	L	82.7	Confident	76.5	Confident	85 Å²	85	75.5 Å²	75.5	45%	0.445	43%	0.433	S	S	.	.	H	α-helix	trans	-56.3	-35.3	-176.3	-178.3	63.1	0	0	0	113.8	Q170 M171 S172	L168-Q170 PolarHBondContact O-N 3.27Å; L168-M171 PolarHBondContact O-N 3.24Å; L168-M171 VanDerWaalsContact O-N 3.09Å; L168-S172 WeakPolarHBondContact O-CB 3.37Å; L168-S172 PolarHBondContact O-N 2.9Å; L168-S172 VanDerWaalsContact O-N 3.11Å
169	Y	81.3	Confident	75.2	Confident	148 Å²	148	70.2 Å²	70.2	58%	0.58	41%	0.412	S	S	*	.	H	α-helix	trans	-66	-21.4	179.6	70	-97.8	0	0	0	112.9	P167	P167-Y169 VanDerWaalsContact C-N 3.25Å; P167-Y169 HydrophobicContact CB-CD1 3.63Å; P167-Y169 HydrophobicContact CB-CE1 3.24Å; P167-Y169 HydrophobicContact CB-CG 4.5Å; P167-Y169 HydrophobicContact CG-CE1 3.99Å; P167-Y169 PolarHBondContact O-N 3.38Å; P167-Y169 VanDerWaalsContact O-N 3.13Å
170	Q	83.1	Confident	74.8	Confident	33 Å²	33	69.1 Å²	69.1	15%	0.154	41%	0.41	C	S	.	.	H	α-helix	trans	-79.5	-28.4	174.3	-61.2	-173.8	13.1	0	0	111.8	I166 P167 L168 S180 I181	I166-Q170 HydrophobicContact CG2-CB 4.35Å; P167-Q170 HydrophobicContact CB-CG 4.37Å; P167-Q170 WeakPolarHBondContact O-CB 3.25Å; P167-Q170 PolarHBondContact O-N 3.32Å; L168-Q170 PolarHBondContact O-N 3.27Å; Q170-S180 WeakPolarHBondContact CB-OG 3.42Å; Q170-S180 PolarHBondContact O-N 3.27Å; Q170-S180 PolarHBondContact O-OG 2.84Å; Q170-I181 HydrophobicContact CB-CD1 3.97Å; Q170-I181 HydrophobicContact CB-CG1 4.41Å; Q170-I181 PolarHBondContact O-N 2.84Å
171	M	77.3	Confident	74.7	Confident	16 Å²	16	68.2 Å²	68.2	8%	0.079	41%	0.406	C	S	.	.	H	α-helix	trans	-91.1	-7.9	-179	-58.6	-175.6	72.9	0	0	113.6	H122 I133 H137 I166 L168 Y457	H122-M171 VanDerWaalsContact CD2-CE 3.47Å; H122-M171 WeakPolarHBondContact CD2-CE 3.15Å; H122-M171 WeakPolarHBondContact NE2-CE 3.23Å; I133-M171 HydrophobicContact CD1-CE 4.01Å; I133-M171 HydrophobicContact CG2-CE 4.18Å; H137-M171 HydrophobicContact CB-SD 4Å; H137-M171 VanDerWaalsContact CD2-SD 3.56Å; I166-M171 HydrophobicContact CB-CG 4.48Å; I166-M171 HydrophobicContact CB-SD 4.16Å; I166-M171 HydrophobicContact CG2-CG 3.57Å; I166-M171 HydrophobicContact CG2-SD 3.89Å; L168-M171 PolarHBondContact O-N 3.24Å; L168-M171 VanDerWaalsContact O-N 3.09Å; M171-Y457 HydrophobicContact CE-CD1 4.21Å; M171-Y457 HydrophobicContact CE-CD2 4.18Å; M171-Y457 HydrophobicContact CE-CE1 4.11Å; M171-Y457 HydrophobicContact CE-CE2 4.13Å; M171-Y457 HydrophobicContact CE-CG 4.24Å
172	S	67	Low	74.7	Confident	32 Å²	32	68.5 Å²	68.5	22%	0.224	39%	0.387	C	S	.	.			trans	-128.3	121.3	-170.9	-173.8	0	0	0	0	112.2	L168 F174	L168-S172 WeakPolarHBondContact O-CB 3.37Å; L168-S172 PolarHBondContact O-N 2.9Å; L168-S172 VanDerWaalsContact O-N 3.11Å; S172-F174 PolarHBondContact O-N 2.91Å; S172-F174 WeakPolarHBondContact OG-CB 3.48Å; S172-F174 PolarHBondContact OG-N 2.92Å
173	G	56.2	Low	74.6	Confident	39 Å²	39	66.7 Å²	66.7	40%	0.402	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-72.4	2.6	172.1	0	0	0	0	0	114.6	Y175 G176	G173-Y175 PolarHBondContact O-N 3.41Å; G173-Y175 VanDerWaalsContact O-N 3.09Å; G173-G176 PolarHBondContact O-N 3.41Å
174	F	45	Very low	74.6	Confident	167 Å²	167	64 Å²	64	73%	0.732	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-60.4	-19.9	-177.8	-126.9	-95.1	0	0	0	113.6	S172	S172-F174 PolarHBondContact O-N 2.91Å; S172-F174 WeakPolarHBondContact OG-CB 3.48Å; S172-F174 PolarHBondContact OG-N 2.92Å
175	Y	40.6	Very low	74.5	Confident	174 Å²	174	62 Å²	62	68%	0.682	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-93.5	17.9	-179.3	-63	-75.2	0	0	0	114.1	G173 K177	G173-Y175 PolarHBondContact O-N 3.41Å; G173-Y175 VanDerWaalsContact O-N 3.09Å; Y175-K177 PolarHBondContact O-N 3.29Å; Y175-K177 VanDerWaalsContact O-N 3.09Å
176	G	38.7	Very low	74.1	Confident	75 Å²	75	60.9 Å²	60.9	77%	0.773	33%	0.334	S	S	*	.	S	Bend	trans	78.8	-10.7	167	0	0	0	0	0	116.2	G173	G173-G176 PolarHBondContact O-N 3.41Å
177	K	50.9	Low	74	Confident	181 Å²	181	61.3 Å²	61.3	79%	0.787	34%	0.336	S	S	*	.	S	Bend	trans	-100.7	129.6	159.4	-59.9	-173.1	-178.2	-177.2	0	106.5	Y175	Y175-K177 PolarHBondContact O-N 3.29Å; Y175-K177 VanDerWaalsContact O-N 3.09Å
178	G	58.3	Low	74	Confident	66 Å²	66	60.8 Å²	60.8	68%	0.68	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-50.5	152.3	178.3	0	0	0	0	0	111.3	S180	G178-S180 PolarHBondContact O-N 2.91Å
179	P	68.8	Low	74.4	Confident	43 Å²	43	57.3 Å²	57.3	28%	0.279	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-63.2	133.3	-173.3	29.4	-35.1	0	0	0	109.8	I181	P179-I181 WeakPolarHBondContact CB-O 3.27Å; P179-I181 PolarHBondContact O-N 2.95Å
180	S	84.8	Confident	75.1	Confident	41 Å²	41	51.2 Å²	51.2	29%	0.287	29%	0.29	S	S	.	.	S	Bend	trans	-66.8	-20.3	171.1	56.4	0	0	0	0	111.6	I125 Q170 G178	I125-S180 PolarHBondContact N-O 3.28Å; Q170-S180 WeakPolarHBondContact CB-OG 3.42Å; Q170-S180 PolarHBondContact O-N 3.27Å; Q170-S180 PolarHBondContact O-OG 2.84Å; G178-S180 PolarHBondContact O-N 2.91Å
181	I	91.6	Very high	75.7	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	110.7	176.8	-60.9	173.4	0	0	0	109.4	H122 Y123 D124 I166 Q170 P179	H122-I181 HydrophobicContact CB-CG2 3.8Å; Y123-I181 CarbonylContact O-C 3.53Å; Y123-I181 VanDerWaalsContact O-CA 3.3Å; Y123-I181 WeakPolarHBondContact O-CA 3.49Å; D124-I181 HydrophobicContact CB-CD1 4.49Å; D124-I181 HydrophobicContact CB-CG1 3.94Å; I166-I181 HydrophobicContact CD1-CD1 4.49Å; I166-I181 HydrophobicContact CG2-CD1 3.29Å; Q170-I181 HydrophobicContact CB-CD1 3.97Å; Q170-I181 HydrophobicContact CB-CG1 4.41Å; Q170-I181 PolarHBondContact O-N 2.84Å; P179-I181 WeakPolarHBondContact CB-O 3.27Å; P179-I181 PolarHBondContact O-N 2.95Å
182	K	91.3	Very high	76.7	Confident	78 Å²	78	49.6 Å²	49.6	34%	0.339	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	132.4	176	174.6	68	176.8	-174.2	0	109.6	H122 Y123 F184 Y216	H122-K182 CarbonylContact C-O 3.28Å; H122-K182 VanDerWaalsContact CA-O 3.25Å; H122-K182 WeakPolarHBondContact CA-O 2.97Å; Y123-K182 PolarHBondContact N-O 3.29Å; Y123-K182 PolarHBondContact O-N 2.95Å; K182-F184 HydrophobicContact CG-CD1 4.22Å; K182-F184 HydrophobicContact CG-CE1 3.85Å; K182-F184 HydrophobicContact CG-CE2 4.3Å; K182-F184 HydrophobicContact CG-CZ 3.93Å; K182-Y216 HydrophobicContact CB-CE2 4.28Å; K182-Y216 HydrophobicContact CG-CE2 4.45Å; K182-Y216 WeakPolarHBondContact CG-OH 3.45Å
183	Q	92.3	Very high	78.1	Confident	19 Å²	19	48.1 Å²	48.1	9%	0.089	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	132.2	164.5	-168	-177.9	20.5	0	0	110.6	G120 H122 M185 Y457	G120-Q183 PolarHBondContact O-NE2 2.8Å; H122-Q183 PolarHBondContact CE1-NE2 2.83Å; H122-Q183 WeakPolarHBondContact NE2-CG 3.36Å; Q183-M185 HydrophobicContact CB-CG 4.47Å; Q183-M185 HydrophobicContact CG-CG 3.94Å; Q183-M185 HydrophobicContact CG-SD 3.88Å; Q183-M185 PolarHBondContact NE2-SD 2.62Å; Q183-M185 PolarHBondContact O-N 2.81Å; Q183-M185 PolarHBondContact OE1-SD 2.86Å; Q183-Y457 VanDerWaalsContact OE1-CE1 3.3Å
184	F	92.4	Very high	80.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.254	C	S	.	.			trans	-95.5	90.8	177	-69.3	-65.5	0	0	0	110.8	G120 L121 Y123 K182 S189 E192 M193 L196 Y216	G120-F184 WeakPolarHBondContact CA-O 3.39Å; G120-F184 PolarHBondContact N-O 3.36Å; L121-F184 PolarHBondContact O-N 2.79Å; Y123-F184 HydrophobicContact CG-CE2 4.33Å; K182-F184 HydrophobicContact CG-CD1 4.22Å; K182-F184 HydrophobicContact CG-CE1 3.85Å; K182-F184 HydrophobicContact CG-CE2 4.3Å; K182-F184 HydrophobicContact CG-CZ 3.93Å; F184-S189 VanDerWaalsContact CD1-CB 3.49Å; F184-E192 HydrophobicContact CE1-CG 4.03Å; F184-E192 WeakPolarHBondContact CE1-OE1 3.33Å; F184-E192 WeakPolarHBondContact CE1-OE2 3.34Å; F184-E192 HydrophobicContact CZ-CG 4.33Å; F184-M193 HydrophobicContact CB-CE 3.95Å; F184-M193 HydrophobicContact CB-CG 4.03Å; F184-M193 HydrophobicContact CB-SD 3.53Å; F184-M193 VanDerWaalsContact CB-SD 3.53Å; F184-M193 HydrophobicContact CD1-CG 4.27Å; F184-M193 HydrophobicContact CD2-CG 3.24Å; F184-M193 HydrophobicContact CD2-SD 3.48Å; F184-M193 WeakPolarHBondContact CD2-SD 3.5Å; F184-M193 HydrophobicContact CE2-CG 3.58Å; F184-M193 HydrophobicContact CE2-SD 4.37Å; F184-M193 HydrophobicContact CG-CG 3.59Å; F184-M193 HydrophobicContact CG-SD 3.73Å; F184-M193 HydrophobicContact CZ-CG 4.26Å; F184-L196 HydrophobicContact CE2-CD1 4.19Å; F184-L196 HydrophobicContact CZ-CD1 3.7Å; F184-Y216 HydrophobicContact CZ-CE2 4.19Å
185	M	87.3	Confident	82.7	Confident	8 Å²	8	38.5 Å²	38.5	4%	0.039	22%	0.219	C	C	.	.			trans	-94.2	-8.7	-175.2	-69.2	-65.9	-67.6	0	0	113.9	R119 Q183 L360 F458 R461	R119-M185 PolarHBondContact NE-O 3.45Å; R119-M185 PolarHBondContact NH2-O 2.89Å; Q183-M185 HydrophobicContact CB-CG 4.47Å; Q183-M185 HydrophobicContact CG-CG 3.94Å; Q183-M185 HydrophobicContact CG-SD 3.88Å; Q183-M185 PolarHBondContact NE2-SD 2.62Å; Q183-M185 PolarHBondContact O-N 2.81Å; Q183-M185 PolarHBondContact OE1-SD 2.86Å; M185-L360 HydrophobicContact CE-CB 3.84Å; M185-L360 HydrophobicContact CE-CD1 3.58Å; M185-L360 HydrophobicContact CE-CG 4.11Å; M185-F458 HydrophobicContact CE-CD2 3.48Å; M185-F458 VanDerWaalsContact CE-CD2 3.48Å; M185-F458 HydrophobicContact CE-CE2 3.75Å; M185-F458 HydrophobicContact CE-CG 4.46Å; M185-F458 HydrophobicContact SD-CD2 3.67Å; M185-F458 HydrophobicContact SD-CE2 4.31Å; M185-R461 HydrophobicContact CE-CB 4.37Å
186	D	87	Confident	85.4	Confident	38 Å²	38	30.2 Å²	30.2	20%	0.203	19%	0.187	C	C	.	.	S	Bend	trans	-100.1	145.1	-175.9	-166.4	-22.8	0	0	0	109.9	F188 S189 H359	D186-F188 PolarHBondContact O-N 2.85Å; D186-F188 VanDerWaalsContact OD1-CD2 3.27Å; D186-F188 WeakPolarHBondContact OD1-CD2 3.4Å; D186-F188 PolarHBondContact OD1-N 3.16Å; D186-S189 VanDerWaalsContact O-CB 3.3Å; D186-S189 WeakPolarHBondContact O-CB 3.4Å; D186-S189 PolarHBondContact O-N 2.76Å; D186-S189 VanDerWaalsContact O-N 3.1Å; D186-H359 IonicContact OD2-CD2 2.79Å
187	I	88.8	Confident	88.2	Confident	9 Å²	9	26.7 Å²	26.7	5%	0.046	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-34.6	170.2	-65.6	174.9	0	0	0	109.8	Y76 S189 L190 P380	Y76-I187 HydrophobicContact CD1-CD1 3.87Å; Y76-I187 HydrophobicContact CD1-CG2 4.48Å; Y76-I187 HydrophobicContact CD2-CB 4.23Å; Y76-I187 HydrophobicContact CE1-CB 4.45Å; Y76-I187 HydrophobicContact CE1-CD1 4.2Å; Y76-I187 HydrophobicContact CE1-CG2 3.83Å; Y76-I187 HydrophobicContact CE2-CB 3.92Å; Y76-I187 HydrophobicContact CE2-CG2 3.83Å; Y76-I187 HydrophobicContact CG-CD1 4.05Å; Y76-I187 VanDerWaalsContact CZ-CG2 3.47Å; I187-S189 PolarHBondContact O-N 2.89Å; I187-S189 VanDerWaalsContact O-N 3.11Å; I187-L190 HydrophobicContact CG2-CD1 4.11Å; I187-L190 WeakPolarHBondContact O-CB 3.32Å; I187-L190 WeakPolarHBondContact O-CG 3.42Å; I187-L190 PolarHBondContact O-N 3.32Å; I187-L190 VanDerWaalsContact O-N 3.1Å; I187-P380 HydrophobicContact CD1-CG 4.03Å
188	F	88.1	Confident	90.5	Very high	23 Å²	23	18.4 Å²	18.4	10%	0.101	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-13.1	174.4	-65.2	-65.6	0	0	0	113.6	D75 Y76 Y81 L85 I89 D186 L190 P191 H227 M232	D75-F188 HydrophobicContact CB-CE2 4.32Å; D75-F188 HydrophobicContact CB-CZ 4.47Å; Y76-F188 HydrophobicContact CD2-CD2 4.11Å; Y76-F188 HydrophobicContact CD2-CE1 4.27Å; Y76-F188 AromaticContact CD2-CE2 3.51Å; Y76-F188 HydrophobicContact CD2-CE2 3.51Å; Y76-F188 AromaticContact CD2-CZ 3.61Å; Y76-F188 HydrophobicContact CD2-CZ 3.61Å; Y76-F188 AromaticContact CE2-CD1 3.83Å; Y76-F188 HydrophobicContact CE2-CD1 3.83Å; Y76-F188 AromaticContact CE2-CD2 3.86Å; Y76-F188 HydrophobicContact CE2-CD2 3.86Å; Y76-F188 AromaticContact CE2-CE1 3.4Å; Y76-F188 HydrophobicContact CE2-CE1 3.4Å; Y76-F188 VanDerWaalsContact CE2-CE1 3.4Å; Y76-F188 AromaticContact CE2-CE2 3.44Å; Y76-F188 HydrophobicContact CE2-CE2 3.44Å; Y76-F188 VanDerWaalsContact CE2-CE2 3.44Å; Y76-F188 HydrophobicContact CE2-CG 4.05Å; Y76-F188 AromaticContact CE2-CZ 3.21Å; Y76-F188 HydrophobicContact CE2-CZ 3.21Å; Y81-F188 HydrophobicContact CD2-CZ 4.23Å; Y81-F188 HydrophobicContact CE2-CZ 4.2Å; L85-F188 HydrophobicContact CD2-CE1 4.21Å; I89-F188 HydrophobicContact CD1-CD1 4.11Å; D186-F188 PolarHBondContact O-N 2.85Å; D186-F188 VanDerWaalsContact OD1-CD2 3.27Å; D186-F188 WeakPolarHBondContact OD1-CD2 3.4Å; D186-F188 PolarHBondContact OD1-N 3.16Å; F188-L190 VanDerWaalsContact C-N 3.35Å; F188-P191 WeakPolarHBondContact O-CD 3.19Å; F188-H227 AromaticContact CD1-CE1 3.66Å; F188-H227 AromaticContact CG-CE1 3.8Å; F188-M232 HydrophobicContact CD1-SD 3.99Å; F188-M232 HydrophobicContact CE1-CE 4.18Å; F188-M232 HydrophobicContact CE1-SD 3.32Å; F188-M232 WeakPolarHBondContact CE1-SD 3.44Å; F188-M232 HydrophobicContact CZ-CE 4.15Å; F188-M232 HydrophobicContact CZ-SD 3.9Å
189	S	91.5	Very high	92.4	Very high	12 Å²	12	15.3 Å²	15.3	8%	0.084	8%	0.083	C	C	.	.	H	α-helix	trans	-82.1	-7.3	174.6	-61.9	0	0	0	0	114.2	F184 D186 I187 E192 M193	F184-S189 VanDerWaalsContact CD1-CB 3.49Å; D186-S189 VanDerWaalsContact O-CB 3.3Å; D186-S189 WeakPolarHBondContact O-CB 3.4Å; D186-S189 PolarHBondContact O-N 2.76Å; D186-S189 VanDerWaalsContact O-N 3.1Å; I187-S189 PolarHBondContact O-N 2.89Å; I187-S189 VanDerWaalsContact O-N 3.11Å; S189-E192 WeakPolarHBondContact O-CB 3.37Å; S189-E192 PolarHBondContact O-N 3.26Å; S189-M193 WeakPolarHBondContact O-CG 3.18Å; S189-M193 PolarHBondContact O-N 3.16Å
190	L	95.7	Very high	93.8	Very high	19 Å²	19	13.2 Å²	13.2	10%	0.099	7%	0.07	C	C	.	.	H	α-helix	trans	-62.6	-48.4	178.4	-66.1	167.1	0	0	0	112.3	I187 F188 E192 M193 A194	I187-L190 HydrophobicContact CG2-CD1 4.11Å; I187-L190 WeakPolarHBondContact O-CB 3.32Å; I187-L190 WeakPolarHBondContact O-CG 3.42Å; I187-L190 PolarHBondContact O-N 3.32Å; I187-L190 VanDerWaalsContact O-N 3.1Å; F188-L190 VanDerWaalsContact C-N 3.35Å; L190-E192 VanDerWaalsContact C-N 3.31Å; L190-E192 PolarHBondContact O-N 3.25Å; L190-M193 HydrophobicContact CD2-CE 3.76Å; L190-M193 HydrophobicContact CG-CE 4.46Å; L190-M193 PolarHBondContact O-N 3.38Å; L190-A194 PolarHBondContact O-N 3.26Å; L190-A194 VanDerWaalsContact O-N 3.12Å
191	P	96.9	Very high	94.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-57	-40.6	170.3	-27.1	35.4	0	0	0	113.7	H86 I89 F90 F188 A194 L195 I223	H86-P191 HydrophobicContact CB-CG 3.86Å; I89-P191 HydrophobicContact CB-CB 4.19Å; I89-P191 HydrophobicContact CB-CG 3.99Å; I89-P191 HydrophobicContact CG2-CB 3.78Å; I89-P191 HydrophobicContact CG2-CG 3.9Å; F90-P191 HydrophobicContact CB-CB 4.14Å; F188-P191 WeakPolarHBondContact O-CD 3.19Å; P191-A194 PolarHBondContact O-N 2.89Å; P191-L195 VanDerWaalsContact O-CB 3.28Å; P191-L195 WeakPolarHBondContact O-CB 3.35Å; P191-L195 PolarHBondContact O-N 3.5Å; P191-I223 HydrophobicContact CB-CD1 4.15Å
192	E	97.3	Very high	94.8	Very high	15 Å²	15	13.5 Å²	13.5	7%	0.07	7%	0.067	C	C	.	.	H	α-helix	trans	-62.8	-48.6	-179.4	-176.1	-179.7	-178.6	0	0	111.6	F184 S189 L190 A194 L195 L196 T220 I223	F184-E192 HydrophobicContact CE1-CG 4.03Å; F184-E192 WeakPolarHBondContact CE1-OE1 3.33Å; F184-E192 WeakPolarHBondContact CE1-OE2 3.34Å; F184-E192 HydrophobicContact CZ-CG 4.33Å; S189-E192 WeakPolarHBondContact O-CB 3.37Å; S189-E192 PolarHBondContact O-N 3.26Å; L190-E192 VanDerWaalsContact C-N 3.31Å; L190-E192 PolarHBondContact O-N 3.25Å; E192-A194 VanDerWaalsContact C-N 3.34Å; E192-A194 PolarHBondContact O-N 3.4Å; E192-L195 PolarHBondContact O-N 2.62Å; E192-L196 HydrophobicContact CG-CD1 4.16Å; E192-L196 WeakPolarHBondContact O-CB 3.44Å; E192-L196 VanDerWaalsContact O-CG 3.32Å; E192-L196 WeakPolarHBondContact O-CG 3.39Å; E192-L196 PolarHBondContact O-N 2.99Å; E192-T220 PolarHBondContact OE1-OG1 3.49Å; E192-I223 HydrophobicContact CB-CD1 4.21Å; E192-I223 HydrophobicContact CB-CG1 3.9Å; E192-I223 HydrophobicContact CB-CG2 4.38Å; E192-I223 HydrophobicContact CG-CG1 4.08Å
193	M	97.7	Very high	95.1	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-60.4	-44	176	-73.5	-175.1	-69.9	0	0	112.1	A117 I118 L121 L130 F184 S189 L190 S197	A117-M193 HydrophobicContact CB-CB 4Å; A117-M193 HydrophobicContact CB-CE 4.13Å; A117-M193 HydrophobicContact CB-SD 4.49Å; I118-M193 WeakPolarHBondContact O-CE 3.38Å; L121-M193 HydrophobicContact CB-SD 3.76Å; L121-M193 HydrophobicContact CD1-SD 4.12Å; L121-M193 HydrophobicContact CG-SD 4.39Å; L130-M193 HydrophobicContact CD1-CB 4.48Å; L130-M193 HydrophobicContact CD1-CG 4.09Å; L130-M193 HydrophobicContact CD1-SD 3.91Å; L130-M193 HydrophobicContact CD2-CB 4.42Å; F184-M193 HydrophobicContact CB-CE 3.95Å; F184-M193 HydrophobicContact CB-CG 4.03Å; F184-M193 HydrophobicContact CB-SD 3.53Å; F184-M193 VanDerWaalsContact CB-SD 3.53Å; F184-M193 HydrophobicContact CD1-CG 4.27Å; F184-M193 HydrophobicContact CD2-CG 3.24Å; F184-M193 HydrophobicContact CD2-SD 3.48Å; F184-M193 WeakPolarHBondContact CD2-SD 3.5Å; F184-M193 HydrophobicContact CE2-CG 3.58Å; F184-M193 HydrophobicContact CE2-SD 4.37Å; F184-M193 HydrophobicContact CG-CG 3.59Å; F184-M193 HydrophobicContact CG-SD 3.73Å; F184-M193 HydrophobicContact CZ-CG 4.26Å; S189-M193 WeakPolarHBondContact O-CG 3.18Å; S189-M193 PolarHBondContact O-N 3.16Å; L190-M193 HydrophobicContact CD2-CE 3.76Å; L190-M193 HydrophobicContact CG-CE 4.46Å; L190-M193 PolarHBondContact O-N 3.38Å; M193-S197 WeakPolarHBondContact O-CB 3.37Å; M193-S197 PolarHBondContact O-N 2.86Å; M193-S197 PolarHBondContact O-OG 3.34Å
194	A	97.9	Very high	95.3	Very high	4 Å²	4	13.7 Å²	13.7	3%	0.033	7%	0.07	C	C	.	.	H	α-helix	trans	-63	-43.8	177.7	0	0	0	0	0	111.4	F90 Y112 L190 P191 E192 S197 C198	F90-A194 HydrophobicContact CD2-CB 4.07Å; F90-A194 HydrophobicContact CE2-CB 3.98Å; Y112-A194 HydrophobicContact CD2-CB 3.88Å; Y112-A194 HydrophobicContact CE2-CB 3.8Å; L190-A194 PolarHBondContact O-N 3.26Å; L190-A194 VanDerWaalsContact O-N 3.12Å; P191-A194 PolarHBondContact O-N 2.89Å; E192-A194 VanDerWaalsContact C-N 3.34Å; E192-A194 PolarHBondContact O-N 3.4Å; A194-S197 PolarHBondContact O-N 3.32Å; A194-C198 PolarHBondContact O-N 3.45Å; A194-C198 PolarHBondContact O-SG 3.14Å
195	L	98.3	Very high	95.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-68.5	-44.9	-178.6	-175	56.8	0	0	0	111.4	F90 A93 R94 L97 P191 E192 S197 C198 V199 V219 I223	F90-L195 HydrophobicContact CD2-CB 3.88Å; F90-L195 HydrophobicContact CD2-CD1 4.46Å; F90-L195 HydrophobicContact CE2-CB 3.77Å; F90-L195 HydrophobicContact CE2-CD1 3.97Å; F90-L195 HydrophobicContact CE2-CG 4.48Å; F90-L195 HydrophobicContact CZ-CD1 4.06Å; A93-L195 HydrophobicContact CB-CD2 3.62Å; R94-L195 HydrophobicContact CB-CD1 3.87Å; R94-L195 HydrophobicContact CG-CD1 4.19Å; L97-L195 HydrophobicContact CD1-CD1 4.28Å; L97-L195 HydrophobicContact CD1-CD2 3.77Å; L97-L195 HydrophobicContact CD1-CG 4.04Å; P191-L195 VanDerWaalsContact O-CB 3.28Å; P191-L195 WeakPolarHBondContact O-CB 3.35Å; P191-L195 PolarHBondContact O-N 3.5Å; E192-L195 PolarHBondContact O-N 2.62Å; L195-S197 VanDerWaalsContact C-N 3.29Å; L195-S197 PolarHBondContact O-N 3.15Å; L195-C198 PolarHBondContact O-N 3.35Å; L195-V199 HydrophobicContact CD1-CG2 4.02Å; L195-V199 HydrophobicContact CG-CG2 4.33Å; L195-V199 VanDerWaalsContact O-CG2 3.26Å; L195-V199 WeakPolarHBondContact O-CG2 3.4Å; L195-V199 PolarHBondContact O-N 3.26Å; L195-V219 HydrophobicContact CB-CG1 4.17Å; L195-V219 HydrophobicContact CD2-CG1 4.04Å; L195-V219 HydrophobicContact CG-CG1 3.96Å; L195-I223 HydrophobicContact CD2-CD1 4.42Å
196	L	98.1	Very high	96	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-51.5	-50.5	171.6	-78.7	169.1	0	0	0	110.8	F184 E192 V199 V200 L215 Y216 V219	F184-L196 HydrophobicContact CE2-CD1 4.19Å; F184-L196 HydrophobicContact CZ-CD1 3.7Å; E192-L196 HydrophobicContact CG-CD1 4.16Å; E192-L196 WeakPolarHBondContact O-CB 3.44Å; E192-L196 VanDerWaalsContact O-CG 3.32Å; E192-L196 WeakPolarHBondContact O-CG 3.39Å; E192-L196 PolarHBondContact O-N 2.99Å; L196-V199 PolarHBondContact O-N 3.05Å; L196-V200 WeakPolarHBondContact O-CB 3.25Å; L196-V200 VanDerWaalsContact O-CG2 3.32Å; L196-V200 WeakPolarHBondContact O-CG2 3.27Å; L196-V200 PolarHBondContact O-N 2.8Å; L196-L215 HydrophobicContact CD2-CD2 4Å; L196-Y216 HydrophobicContact CD1-CD2 4.11Å; L196-Y216 HydrophobicContact CD1-CE2 4.31Å; L196-Y216 HydrophobicContact CD2-CD2 4.14Å; L196-V219 HydrophobicContact CD2-CB 3.59Å; L196-V219 HydrophobicContact CD2-CG1 3.74Å; L196-V219 HydrophobicContact CD2-CG2 3.9Å; L196-V219 HydrophobicContact CG-CB 4.12Å; L196-V219 HydrophobicContact CG-CG1 3.66Å
197	S	98.3	Very high	96.4	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.014	15%	0.148	C	C	.	.	H	α-helix	trans	-62.9	-41.6	178.4	-82.1	0	0	0	0	113.2	F116 G147 M193 A194 L195 D201	F116-S197 VanDerWaalsContact CE1-OG 3.29Å; F116-S197 WeakPolarHBondContact CE1-OG 3.33Å; G147-S197 CarbonylContact C-O 3.56Å; G147-S197 WeakPolarHBondContact CA-O 3.38Å; G147-S197 WeakPolarHBondContact O-CB 3.4Å; G147-S197 PolarHBondContact O-OG 2.77Å; M193-S197 WeakPolarHBondContact O-CB 3.37Å; M193-S197 PolarHBondContact O-N 2.86Å; M193-S197 PolarHBondContact O-OG 3.34Å; A194-S197 PolarHBondContact O-N 3.32Å; L195-S197 VanDerWaalsContact C-N 3.29Å; L195-S197 PolarHBondContact O-N 3.15Å; S197-D201 WeakPolarHBondContact O-CB 3.27Å; S197-D201 PolarHBondContact O-N 2.8Å
198	C	98.4	Very high	96.8	Very high	7 Å²	7	27.1 Å²	27.1	5%	0.047	16%	0.163	C	C	.	.	H	α-helix	trans	-66.6	-41.7	178.4	-67.4	0	0	0	0	112.3	F90 Y110 A194 L195 D201 Y202	F90-C198 HydrophobicContact CZ-CB 4.43Å; Y110-C198 HydrophobicContact CD1-CB 3.89Å; Y110-C198 HydrophobicContact CD2-CB 4.25Å; Y110-C198 HydrophobicContact CG-CB 3.75Å; A194-C198 PolarHBondContact O-N 3.45Å; A194-C198 PolarHBondContact O-SG 3.14Å; L195-C198 PolarHBondContact O-N 3.35Å; C198-D201 PolarHBondContact O-N 2.7Å; C198-Y202 PolarHBondContact O-N 3.13Å
199	V	98.3	Very high	97.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.5	-46.9	178.6	178.3	0	0	0	0	110	L97 Y103 I107 L195 L196 D201 Y202 F203 L215 V219	L97-V199 HydrophobicContact CD1-CG2 4.14Å; Y103-V199 HydrophobicContact CD1-CG1 3.82Å; Y103-V199 HydrophobicContact CE1-CG1 3.69Å; I107-V199 HydrophobicContact CD1-CG1 4.28Å; I107-V199 HydrophobicContact CD1-CG2 4.39Å; I107-V199 HydrophobicContact CG2-CG2 4.26Å; L195-V199 HydrophobicContact CD1-CG2 4.02Å; L195-V199 HydrophobicContact CG-CG2 4.33Å; L195-V199 VanDerWaalsContact O-CG2 3.26Å; L195-V199 WeakPolarHBondContact O-CG2 3.4Å; L195-V199 PolarHBondContact O-N 3.26Å; L196-V199 PolarHBondContact O-N 3.05Å; V199-D201 VanDerWaalsContact C-N 3.34Å; V199-D201 PolarHBondContact O-N 3.04Å; V199-Y202 WeakPolarHBondContact O-CB 3.08Å; V199-Y202 PolarHBondContact O-N 3.11Å; V199-F203 HydrophobicContact CG1-CD2 4.03Å; V199-F203 HydrophobicContact CG1-CE2 3.79Å; V199-F203 WeakPolarHBondContact O-CD2 3.4Å; V199-F203 PolarHBondContact O-N 2.63Å; V199-F203 VanDerWaalsContact O-N 3.08Å; V199-L215 HydrophobicContact CG1-CD1 3.86Å; V199-L215 HydrophobicContact CG1-CD2 4.37Å; V199-L215 HydrophobicContact CG1-CG 4.09Å; V199-V219 HydrophobicContact CG2-CG2 4.37Å
200	V	98.2	Very high	97.4	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.9	-43.3	176.1	170.9	0	0	0	0	111.2	R146 L196 Y202 F203 L204 F210 L215	R146-V200 HydrophobicContact CG-CG1 4.33Å; L196-V200 WeakPolarHBondContact O-CB 3.25Å; L196-V200 VanDerWaalsContact O-CG2 3.32Å; L196-V200 WeakPolarHBondContact O-CG2 3.27Å; L196-V200 PolarHBondContact O-N 2.8Å; V200-Y202 VanDerWaalsContact C-N 3.33Å; V200-Y202 PolarHBondContact O-N 2.88Å; V200-F203 PolarHBondContact O-N 2.88Å; V200-L204 HydrophobicContact CG1-CD1 3.74Å; V200-L204 HydrophobicContact CG1-CG 4.26Å; V200-L204 VanDerWaalsContact O-CG 3.28Å; V200-L204 WeakPolarHBondContact O-CG 3.36Å; V200-L204 PolarHBondContact O-N 2.94Å; V200-F210 HydrophobicContact CG1-CZ 4.19Å; V200-F210 HydrophobicContact CG2-CE2 4.37Å; V200-F210 HydrophobicContact CG2-CZ 4.38Å; V200-L215 HydrophobicContact CG2-CD1 4.03Å; V200-L215 HydrophobicContact CG2-CD2 3.9Å
201	D	98.1	Very high	97.4	Very high	24 Å²	24	40 Å²	40	13%	0.128	22%	0.224	C	C	.	.	H	α-helix	trans	-59.9	-42	176.6	-171.2	81.4	0	0	0	112.1	Y110 L148 Q149 S197 C198 V199 G205	Y110-D201 HydrophobicContact CE1-CB 4.5Å; Y110-D201 WeakPolarHBondContact CE1-OD2 3.38Å; Y110-D201 PolarHBondContact OH-OD2 3.45Å; L148-D201 HydrophobicContact CB-CB 4.19Å; L148-D201 HydrophobicContact CD1-CB 4.18Å; L148-D201 HydrophobicContact CG-CB 3.93Å; L148-D201 PolarHBondContact N-OD1 2.93Å; Q149-D201 PolarHBondContact NE2-OD1 3.35Å; S197-D201 WeakPolarHBondContact O-CB 3.27Å; S197-D201 PolarHBondContact O-N 2.8Å; C198-D201 PolarHBondContact O-N 2.7Å; V199-D201 VanDerWaalsContact C-N 3.34Å; V199-D201 PolarHBondContact O-N 3.04Å; D201-G205 PolarHBondContact O-N 3.09Å
202	Y	98.3	Very high	97.3	Very high	25 Å²	25	43 Å²	43	10%	0.098	24%	0.238	C	C	.	.	H	α-helix	trans	-60	-49.2	175.4	-175.5	-92.2	0	0	0	111.8	P104 I107 Y110 C198 V199 V200 G205 H206 L208	P104-Y202 HydrophobicContact CB-CD1 4.37Å; P104-Y202 HydrophobicContact CB-CE1 3.47Å; P104-Y202 VanDerWaalsContact CB-CE1 3.47Å; P104-Y202 HydrophobicContact CG-CD1 4.49Å; P104-Y202 HydrophobicContact CG-CE1 3.83Å; I107-Y202 HydrophobicContact CD1-CD1 4.39Å; I107-Y202 HydrophobicContact CG1-CD1 3.8Å; I107-Y202 HydrophobicContact CG1-CD2 4.08Å; I107-Y202 HydrophobicContact CG1-CE1 4.29Å; I107-Y202 HydrophobicContact CG1-CG 3.68Å; Y110-Y202 AromaticContact CE2-CD2 3.94Å; Y110-Y202 HydrophobicContact CE2-CD2 3.94Å; Y110-Y202 HydrophobicContact CE2-CG 4.35Å; Y110-Y202 PolarHBondContact OH-N 3.01Å; C198-Y202 PolarHBondContact O-N 3.13Å; V199-Y202 WeakPolarHBondContact O-CB 3.08Å; V199-Y202 PolarHBondContact O-N 3.11Å; V200-Y202 VanDerWaalsContact C-N 3.33Å; V200-Y202 PolarHBondContact O-N 2.88Å; Y202-G205 PolarHBondContact O-N 3.35Å; Y202-H206 AromaticContact CD1-ND1 3.98Å; Y202-H206 AromaticContact CD2-CE1 3.45Å; Y202-H206 VanDerWaalsContact CD2-CE1 3.45Å; Y202-H206 WeakPolarHBondContact CD2-CE1 3.49Å; Y202-H206 AromaticContact CD2-ND1 3.71Å; Y202-H206 AromaticContact CE1-ND1 3.88Å; Y202-H206 AromaticContact CE2-CE1 3.17Å; Y202-H206 WeakPolarHBondContact CE2-CE1 3.35Å; Y202-H206 AromaticContact CE2-ND1 3.65Å; Y202-H206 AromaticContact CE2-NE2 3.76Å; Y202-H206 AromaticContact CG-ND1 3.9Å; Y202-H206 AromaticContact CZ-CE1 3.6Å; Y202-H206 AromaticContact CZ-ND1 3.74Å; Y202-H206 AromaticContact CZ-NE2 3.94Å; Y202-H206 PolarHBondContact O-N 3.18Å; Y202-H206 VanDerWaalsContact O-N 3.15Å; Y202-H206 PolarHBondContact O-ND1 3.49Å; Y202-L208 HydrophobicContact CD1-CD1 4.32Å; Y202-L208 HydrophobicContact CE1-CD1 3.94Å
203	F	98.1	Very high	97.1	Very high	22 Å²	22	44.2 Å²	44.2	10%	0.096	25%	0.25	C	S	.	.	H	α-helix	trans	-64.5	-43.9	-176.5	-83.6	-120.5	0	0	0	111	Y103 P104 I107 V199 V200 H206 S207 L208 F210	Y103-F203 AromaticContact CD1-CE2 3.82Å; Y103-F203 HydrophobicContact CD1-CE2 3.82Å; Y103-F203 AromaticContact CD1-CZ 3.82Å; Y103-F203 HydrophobicContact CD1-CZ 3.82Å; Y103-F203 HydrophobicContact CE1-CE2 4.08Å; Y103-F203 AromaticContact CE1-CZ 3.85Å; Y103-F203 HydrophobicContact CE1-CZ 3.85Å; P104-F203 HydrophobicContact CG-CE2 4.44Å; P104-F203 HydrophobicContact CG-CZ 4.48Å; I107-F203 HydrophobicContact CD1-CE2 4.12Å; V199-F203 HydrophobicContact CG1-CD2 4.03Å; V199-F203 HydrophobicContact CG1-CE2 3.79Å; V199-F203 WeakPolarHBondContact O-CD2 3.4Å; V199-F203 PolarHBondContact O-N 2.63Å; V199-F203 VanDerWaalsContact O-N 3.08Å; V200-F203 PolarHBondContact O-N 2.88Å; F203-H206 CarbonylContact O-C 3.55Å; F203-H206 PolarHBondContact O-N 3.13Å; F203-S207 PolarHBondContact O-N 2.7Å; F203-S207 VanDerWaalsContact O-N 3.08Å; F203-L208 HydrophobicContact CB-CB 4.18Å; F203-L208 HydrophobicContact CD1-CB 3.68Å; F203-L208 HydrophobicContact CD1-CD1 4.32Å; F203-L208 HydrophobicContact CE1-CB 4.4Å; F203-L208 HydrophobicContact CG-CB 4.09Å; F203-L208 HydrophobicContact CG-CD1 4.37Å; F203-L208 PolarHBondContact O-N 3.45Å; F203-F210 HydrophobicContact CB-CD1 3.65Å; F203-F210 HydrophobicContact CB-CE1 3.75Å; F203-F210 HydrophobicContact CD1-CB 3.65Å; F203-F210 AromaticContact CD1-CD1 3.59Å; F203-F210 HydrophobicContact CD1-CD1 3.59Å; F203-F210 AromaticContact CD1-CG 3.87Å; F203-F210 HydrophobicContact CD1-CG 3.87Å; F203-F210 HydrophobicContact CE1-CB 3.84Å; F203-F210 HydrophobicContact CE1-CG 4.46Å; F203-F210 AromaticContact CG-CD1 3.97Å; F203-F210 HydrophobicContact CG-CD1 3.97Å; F203-F210 HydrophobicContact CG-CE1 4.49Å; F203-F210 HydrophobicContact CG-CG 4.48Å
204	L	96.8	Very high	97	Very high	79 Å²	79	49.8 Å²	49.8	41%	0.414	28%	0.276	S	S	.	.	H	α-helix	trans	-63.2	-43.9	175.9	-66.3	174.3	0	0	0	112	R146 V200 H206 S207 F210	R146-L204 HydrophobicContact CG-CD1 3.73Å; V200-L204 HydrophobicContact CG1-CD1 3.74Å; V200-L204 HydrophobicContact CG1-CG 4.26Å; V200-L204 VanDerWaalsContact O-CG 3.28Å; V200-L204 WeakPolarHBondContact O-CG 3.36Å; V200-L204 PolarHBondContact O-N 2.94Å; L204-H206 PolarHBondContact O-N 3.45Å; L204-S207 PolarHBondContact O-N 3.2Å; L204-F210 HydrophobicContact CD2-CE1 4.37Å
205	G	96.8	Very high	97	Very high	64 Å²	64	49.7 Å²	49.7	66%	0.66	28%	0.275	S	S	*	.	H	α-helix	trans	-66.4	-18.1	179.6	0	0	0	0	0	114.8	D201 Y202	D201-G205 PolarHBondContact O-N 3.09Å; Y202-G205 PolarHBondContact O-N 3.35Å
206	H	97.1	Very high	96.9	Very high	90 Å²	90	51.3 Å²	51.3	42%	0.417	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	9.9	176.9	-62.2	80.6	0	0	0	113	Y202 F203 L204 L208	Y202-H206 AromaticContact CD1-ND1 3.98Å; Y202-H206 AromaticContact CD2-CE1 3.45Å; Y202-H206 VanDerWaalsContact CD2-CE1 3.45Å; Y202-H206 WeakPolarHBondContact CD2-CE1 3.49Å; Y202-H206 AromaticContact CD2-ND1 3.71Å; Y202-H206 AromaticContact CE1-ND1 3.88Å; Y202-H206 AromaticContact CE2-CE1 3.17Å; Y202-H206 WeakPolarHBondContact CE2-CE1 3.35Å; Y202-H206 AromaticContact CE2-ND1 3.65Å; Y202-H206 AromaticContact CE2-NE2 3.76Å; Y202-H206 AromaticContact CG-ND1 3.9Å; Y202-H206 AromaticContact CZ-CE1 3.6Å; Y202-H206 AromaticContact CZ-ND1 3.74Å; Y202-H206 AromaticContact CZ-NE2 3.94Å; Y202-H206 PolarHBondContact O-N 3.18Å; Y202-H206 VanDerWaalsContact O-N 3.15Å; Y202-H206 PolarHBondContact O-ND1 3.49Å; F203-H206 CarbonylContact O-C 3.55Å; F203-H206 PolarHBondContact O-N 3.13Å; L204-H206 PolarHBondContact O-N 3.45Å; H206-L208 HydrophobicContact CB-CD1 4.24Å; H206-L208 HydrophobicContact CB-CG 3.95Å; H206-L208 PolarHBondContact O-N 2.86Å
207	S	96.3	Very high	96.8	Very high	113 Å²	113	57 Å²	57	79%	0.79	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	37.1	-177.6	-53.9	0	0	0	0	113.3	F203 L204	F203-S207 PolarHBondContact O-N 2.7Å; F203-S207 VanDerWaalsContact O-N 3.08Å; L204-S207 PolarHBondContact O-N 3.2Å
208	L	96.3	Very high	96.8	Very high	70 Å²	70	58.4 Å²	58.4	37%	0.366	31%	0.313	S	S	.	.			trans	-85.6	128.6	175.7	-61.3	177.6	0	0	0	109.4	P104 Y202 F203 H206 F210	P104-L208 HydrophobicContact CG-CD1 4.17Å; Y202-L208 HydrophobicContact CD1-CD1 4.32Å; Y202-L208 HydrophobicContact CE1-CD1 3.94Å; F203-L208 HydrophobicContact CB-CB 4.18Å; F203-L208 HydrophobicContact CD1-CB 3.68Å; F203-L208 HydrophobicContact CD1-CD1 4.32Å; F203-L208 HydrophobicContact CE1-CB 4.4Å; F203-L208 HydrophobicContact CG-CB 4.09Å; F203-L208 HydrophobicContact CG-CD1 4.37Å; F203-L208 PolarHBondContact O-N 3.45Å; H206-L208 HydrophobicContact CB-CD1 4.24Å; H206-L208 HydrophobicContact CB-CG 3.95Å; H206-L208 PolarHBondContact O-N 2.86Å; L208-F210 WeakPolarHBondContact O-CD1 3.39Å
209	E	95.3	Very high	96.7	Very high	194 Å²	194	58 Å²	58	91%	0.907	31%	0.311	S	S	*	.			trans	-75.6	143.7	170.7	-64.1	-172.5	165.9	0	0	110.5
210	F	96.3	Very high	96.5	Very high	48 Å²	48	59.7 Å²	59.7	21%	0.211	32%	0.321	C	S	.	.			trans	-150.9	151	176.8	60.3	-82.6	0	0	0	111.1	V200 F203 L204 L208 Q212 L215	V200-F210 HydrophobicContact CG1-CZ 4.19Å; V200-F210 HydrophobicContact CG2-CE2 4.37Å; V200-F210 HydrophobicContact CG2-CZ 4.38Å; F203-F210 HydrophobicContact CB-CD1 3.65Å; F203-F210 HydrophobicContact CB-CE1 3.75Å; F203-F210 HydrophobicContact CD1-CB 3.65Å; F203-F210 AromaticContact CD1-CD1 3.59Å; F203-F210 HydrophobicContact CD1-CD1 3.59Å; F203-F210 AromaticContact CD1-CG 3.87Å; F203-F210 HydrophobicContact CD1-CG 3.87Å; F203-F210 HydrophobicContact CE1-CB 3.84Å; F203-F210 HydrophobicContact CE1-CG 4.46Å; F203-F210 AromaticContact CG-CD1 3.97Å; F203-F210 HydrophobicContact CG-CD1 3.97Å; F203-F210 HydrophobicContact CG-CE1 4.49Å; F203-F210 HydrophobicContact CG-CG 4.48Å; L204-F210 HydrophobicContact CD2-CE1 4.37Å; L208-F210 WeakPolarHBondContact O-CD1 3.39Å; F210-Q212 HydrophobicContact CD2-CG 4.38Å; F210-Q212 HydrophobicContact CE2-CG 3.95Å; F210-L215 HydrophobicContact CB-CD1 4.47Å; F210-L215 HydrophobicContact CD2-CB 4.12Å; F210-L215 HydrophobicContact CD2-CD1 3.42Å; F210-L215 VanDerWaalsContact CD2-CD1 3.42Å; F210-L215 HydrophobicContact CD2-CG 4.42Å; F210-L215 HydrophobicContact CE2-CD1 3.69Å; F210-L215 HydrophobicContact CG-CD1 3.95Å; F210-L215 HydrophobicContact CZ-CD1 4.43Å
211	D	96.4	Very high	96.4	Very high	82 Å²	82	60.7 Å²	60.7	44%	0.439	33%	0.326	S	S	.	.			trans	-84.8	122.9	167.6	-179.5	-84.4	0	0	0	109.4	A213 H214 L215	D211-A213 VanDerWaalsContact C-N 3.29Å; D211-A213 PolarHBondContact O-N 3.33Å; D211-A213 WeakPolarHBondContact OD1-CB 3.11Å; D211-A213 PolarHBondContact OD1-N 3.04Å; D211-H214 HydrophobicContact CB-CB 4.31Å; D211-H214 PolarHBondContact O-N 3.2Å; D211-H214 IonicContact OD1-CE1 3.19Å; D211-H214 IonicContact OD1-CG 2.82Å; D211-H214 PolarHBondContact OD1-N 3.27Å; D211-H214 IonicContact OD1-ND1 2.7Å; D211-H214 PolarHBondContact OD1-ND1 3.34Å; D211-H214 IonicContact OD2-ND1 3.61Å; D211-L215 PolarHBondContact O-N 2.82Å
212	Q	95.3	Very high	96.3	Very high	64 Å²	64	59.6 Å²	59.6	30%	0.299	32%	0.32	S	S	.	.	H	α-helix	trans	-68.6	-30.3	-171.6	-54.7	79.8	-1.5	0	0	112.4	I125 S128 F210 Y216	I125-Q212 WeakPolarHBondContact O-CB 3.14Å; S128-Q212 WeakPolarHBondContact OG-CG 3.28Å; F210-Q212 HydrophobicContact CD2-CG 4.38Å; F210-Q212 HydrophobicContact CE2-CG 3.95Å; Q212-Y216 VanDerWaalsContact O-CB 3.24Å; Q212-Y216 WeakPolarHBondContact O-CB 3.44Å; Q212-Y216 PolarHBondContact O-N 2.86Å
213	A	93.8	Very high	96.1	Very high	40 Å²	40	58.8 Å²	58.8	33%	0.331	32%	0.318	S	S	.	.	H	α-helix	trans	-73.1	-40.2	179.4	0	0	0	0	0	111.5	I125 D211 K217	I125-A213 HydrophobicContact CG2-CB 4.39Å; D211-A213 VanDerWaalsContact C-N 3.29Å; D211-A213 PolarHBondContact O-N 3.33Å; D211-A213 WeakPolarHBondContact OD1-CB 3.11Å; D211-A213 PolarHBondContact OD1-N 3.04Å; A213-K217 VanDerWaalsContact O-CB 3.25Å; A213-K217 WeakPolarHBondContact O-CB 3.37Å; A213-K217 PolarHBondContact O-N 2.98Å
214	H	95.6	Very high	95.8	Very high	118 Å²	118	63.6 Å²	63.6	55%	0.546	34%	0.335	S	S	.	.	H	α-helix	trans	-66.3	-47.2	173.8	-68.9	87.7	0	0	0	111.3	D211 Y216 K217 D218	D211-H214 HydrophobicContact CB-CB 4.31Å; D211-H214 PolarHBondContact O-N 3.2Å; D211-H214 IonicContact OD1-CE1 3.19Å; D211-H214 IonicContact OD1-CG 2.82Å; D211-H214 PolarHBondContact OD1-N 3.27Å; D211-H214 IonicContact OD1-ND1 2.7Å; D211-H214 PolarHBondContact OD1-ND1 3.34Å; D211-H214 IonicContact OD2-ND1 3.61Å; H214-Y216 PolarHBondContact O-N 3.46Å; H214-K217 PolarHBondContact O-N 2.86Å; H214-K217 VanDerWaalsContact O-N 3.14Å; H214-D218 VanDerWaalsContact O-CG 3.25Å; H214-D218 PolarHBondContact O-N 3.38Å
215	L	97.1	Very high	95.6	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-57	-50.7	177.2	-175.3	160	0	0	0	111.5	Y103 L196 V199 V200 F210 D211 K217 D218 V219	Y103-L215 HydrophobicContact CE1-CG 4.45Å; Y103-L215 WeakPolarHBondContact OH-CA 3.47Å; L196-L215 HydrophobicContact CD2-CD2 4Å; V199-L215 HydrophobicContact CG1-CD1 3.86Å; V199-L215 HydrophobicContact CG1-CD2 4.37Å; V199-L215 HydrophobicContact CG1-CG 4.09Å; V200-L215 HydrophobicContact CG2-CD1 4.03Å; V200-L215 HydrophobicContact CG2-CD2 3.9Å; F210-L215 HydrophobicContact CB-CD1 4.47Å; F210-L215 HydrophobicContact CD2-CB 4.12Å; F210-L215 HydrophobicContact CD2-CD1 3.42Å; F210-L215 VanDerWaalsContact CD2-CD1 3.42Å; F210-L215 HydrophobicContact CD2-CG 4.42Å; F210-L215 HydrophobicContact CE2-CD1 3.69Å; F210-L215 HydrophobicContact CG-CD1 3.95Å; F210-L215 HydrophobicContact CZ-CD1 4.43Å; D211-L215 PolarHBondContact O-N 2.82Å; L215-K217 VanDerWaalsContact C-N 3.29Å; L215-K217 PolarHBondContact O-N 3.12Å; L215-D218 PolarHBondContact O-N 2.86Å; L215-V219 HydrophobicContact CD2-CG2 4.16Å; L215-V219 WeakPolarHBondContact O-CG2 3.47Å; L215-V219 PolarHBondContact O-N 2.86Å
216	Y	96.4	Very high	95.3	Very high	34 Å²	34	58.4 Å²	58.4	13%	0.133	29%	0.293	C	S	.	.	H	α-helix	trans	-56.8	-45.6	177.3	169.9	-93.3	0	0	0	111.6	Y123 I125 K182 F184 L196 Q212 H214 T220	Y123-Y216 AromaticContact CD1-CD2 3.77Å; Y123-Y216 HydrophobicContact CD1-CD2 3.77Å; Y123-Y216 HydrophobicContact CD1-CE2 4.17Å; Y123-Y216 AromaticContact CE1-CD2 3.82Å; Y123-Y216 HydrophobicContact CE1-CD2 3.82Å; I125-Y216 HydrophobicContact CD1-CD1 3.68Å; I125-Y216 HydrophobicContact CD1-CD2 4.3Å; I125-Y216 HydrophobicContact CD1-CE1 3.62Å; I125-Y216 HydrophobicContact CD1-CE2 4.21Å; I125-Y216 HydrophobicContact CD1-CG 4.04Å; I125-Y216 HydrophobicContact CG1-CD1 4.03Å; I125-Y216 HydrophobicContact CG1-CD2 3.88Å; I125-Y216 HydrophobicContact CG1-CE1 4.28Å; I125-Y216 HydrophobicContact CG1-CE2 4.09Å; I125-Y216 HydrophobicContact CG1-CG 3.85Å; I125-Y216 HydrophobicContact CG2-CD1 4.33Å; I125-Y216 HydrophobicContact CG2-CG 4.1Å; K182-Y216 HydrophobicContact CB-CE2 4.28Å; K182-Y216 HydrophobicContact CG-CE2 4.45Å; K182-Y216 WeakPolarHBondContact CG-OH 3.45Å; F184-Y216 HydrophobicContact CZ-CE2 4.19Å; L196-Y216 HydrophobicContact CD1-CD2 4.11Å; L196-Y216 HydrophobicContact CD1-CE2 4.31Å; L196-Y216 HydrophobicContact CD2-CD2 4.14Å; Q212-Y216 VanDerWaalsContact O-CB 3.24Å; Q212-Y216 WeakPolarHBondContact O-CB 3.44Å; Q212-Y216 PolarHBondContact O-N 2.86Å; H214-Y216 PolarHBondContact O-N 3.46Å; Y216-T220 WeakPolarHBondContact O-CB 3.35Å; Y216-T220 PolarHBondContact O-N 3.27Å; Y216-T220 PolarHBondContact O-OG1 3.48Å
217	K	95.6	Very high	94.7	Very high	119 Å²	119	56.1 Å²	56.1	52%	0.517	28%	0.282	S	S	.	.	H	α-helix	trans	-63.5	-47.1	-179.6	-179.2	-177.2	174.8	121.3	0	111.8	A213 H214 L215 V219 T220 D221	A213-K217 VanDerWaalsContact O-CB 3.25Å; A213-K217 WeakPolarHBondContact O-CB 3.37Å; A213-K217 PolarHBondContact O-N 2.98Å; H214-K217 PolarHBondContact O-N 2.86Å; H214-K217 VanDerWaalsContact O-N 3.14Å; L215-K217 VanDerWaalsContact C-N 3.29Å; L215-K217 PolarHBondContact O-N 3.12Å; K217-V219 VanDerWaalsContact C-N 3.35Å; K217-V219 PolarHBondContact O-N 3.19Å; K217-T220 PolarHBondContact O-N 3.18Å; K217-D221 VanDerWaalsContact O-CB 3.28Å; K217-D221 WeakPolarHBondContact O-CB 3.19Å; K217-D221 VanDerWaalsContact O-CG 3.27Å; K217-D221 PolarHBondContact O-N 2.94Å
218	D	97.5	Very high	94.1	Very high	31 Å²	31	56 Å²	56	17%	0.166	28%	0.276	C	S	.	.	H	α-helix	trans	-62.3	-43.7	-178.5	-67.7	-17.8	0	0	0	110.9	L97 Y101 Y103 H214 L215 D221 A222	L97-D218 HydrophobicContact CD2-CB 4.02Å; Y101-D218 HydrophobicContact CD1-CB 3.8Å; Y101-D218 WeakPolarHBondContact CD1-OD1 3.19Å; Y101-D218 HydrophobicContact CE1-CB 3.97Å; Y101-D218 WeakPolarHBondContact CE1-OD1 3.23Å; Y101-D218 HydrophobicContact CG-CB 4.42Å; Y103-D218 HydrophobicContact CE2-CB 4.06Å; Y103-D218 WeakPolarHBondContact CE2-OD2 3.28Å; Y103-D218 WeakPolarHBondContact OH-CB 3.49Å; Y103-D218 PolarHBondContact OH-OD2 3.09Å; H214-D218 VanDerWaalsContact O-CG 3.25Å; H214-D218 PolarHBondContact O-N 3.38Å; L215-D218 PolarHBondContact O-N 2.86Å; D218-D221 PolarHBondContact O-N 3.33Å; D218-A222 WeakPolarHBondContact O-CB 3.4Å; D218-A222 PolarHBondContact O-N 3.08Å
219	V	97.3	Very high	93.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65	-44.1	176.4	178.4	0	0	0	0	111.3	L97 L195 L196 V199 L215 K217 D221 A222 I223	L97-V219 HydrophobicContact CD1-CB 4.5Å; L97-V219 HydrophobicContact CD1-CG2 3.81Å; L97-V219 HydrophobicContact CD2-CG2 4.38Å; L195-V219 HydrophobicContact CB-CG1 4.17Å; L195-V219 HydrophobicContact CD2-CG1 4.04Å; L195-V219 HydrophobicContact CG-CG1 3.96Å; L196-V219 HydrophobicContact CD2-CB 3.59Å; L196-V219 HydrophobicContact CD2-CG1 3.74Å; L196-V219 HydrophobicContact CD2-CG2 3.9Å; L196-V219 HydrophobicContact CG-CB 4.12Å; L196-V219 HydrophobicContact CG-CG1 3.66Å; V199-V219 HydrophobicContact CG2-CG2 4.37Å; L215-V219 HydrophobicContact CD2-CG2 4.16Å; L215-V219 WeakPolarHBondContact O-CG2 3.47Å; L215-V219 PolarHBondContact O-N 2.86Å; K217-V219 VanDerWaalsContact C-N 3.35Å; K217-V219 PolarHBondContact O-N 3.19Å; V219-D221 VanDerWaalsContact C-N 3.31Å; V219-D221 PolarHBondContact O-N 3.25Å; V219-A222 PolarHBondContact O-N 2.68Å; V219-I223 WeakPolarHBondContact O-CG1 3.47Å; V219-I223 PolarHBondContact O-N 2.87Å
220	T	94.8	Very high	93.1	Very high	35 Å²	35	48.4 Å²	48.4	22%	0.215	24%	0.241	C	C	.	.	H	α-helix	trans	-58.9	-44.5	175.4	-55.6	0	0	0	0	110.8	E192 Y216 K217 I223 R224	E192-T220 PolarHBondContact OE1-OG1 3.49Å; Y216-T220 WeakPolarHBondContact O-CB 3.35Å; Y216-T220 PolarHBondContact O-N 3.27Å; Y216-T220 PolarHBondContact O-OG1 3.48Å; K217-T220 PolarHBondContact O-N 3.18Å; T220-I223 PolarHBondContact O-N 3.08Å; T220-R224 WeakPolarHBondContact O-CB 3.25Å; T220-R224 PolarHBondContact O-N 3.01Å
221	D	95.3	Very high	92.8	Very high	21 Å²	21	48.3 Å²	48.3	11%	0.112	24%	0.242	C	C	.	.	H	α-helix	trans	-70.2	-37.2	-178.5	-75.7	-11	0	0	0	111.4	Y101 K217 D218 V219 R224 D225	Y101-D221 VanDerWaalsContact OH-CB 3.3Å; Y101-D221 WeakPolarHBondContact OH-CB 3.47Å; K217-D221 VanDerWaalsContact O-CB 3.28Å; K217-D221 WeakPolarHBondContact O-CB 3.19Å; K217-D221 VanDerWaalsContact O-CG 3.27Å; K217-D221 PolarHBondContact O-N 2.94Å; D218-D221 PolarHBondContact O-N 3.33Å; V219-D221 VanDerWaalsContact C-N 3.31Å; V219-D221 PolarHBondContact O-N 3.25Å; D221-R224 WeakPolarHBondContact O-CB 3.49Å; D221-R224 PolarHBondContact O-N 3.23Å; D221-R224 IonicContact OD1-CZ 2.62Å; D221-R224 IonicContact OD1-NH1 3.64Å; D221-R224 PolarHBondContact OD1-NH1 3.1Å; D221-R224 IonicContact OD1-NH2 3.38Å; D221-R224 PolarHBondContact OD1-NH2 3.34Å; D221-R224 IonicContact OD2-NH2 3.55Å; D221-R224 PolarHBondContact OD2-NH2 3.36Å; D221-D225 WeakPolarHBondContact O-CB 3.34Å; D221-D225 PolarHBondContact O-N 2.7Å
222	A	96.2	Very high	92.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64	-42.8	174.3	0	0	0	0	0	112.2	A93 I96 L97 D218 V219 D225 V226	A93-A222 HydrophobicContact CB-CB 4.37Å; I96-A222 HydrophobicContact CB-CB 4.34Å; I96-A222 HydrophobicContact CG2-CB 3.9Å; L97-A222 HydrophobicContact CD2-CB 3.73Å; L97-A222 HydrophobicContact CG-CB 3.76Å; D218-A222 WeakPolarHBondContact O-CB 3.4Å; D218-A222 PolarHBondContact O-N 3.08Å; V219-A222 PolarHBondContact O-N 2.68Å; A222-D225 WeakPolarHBondContact O-CB 3.4Å; A222-D225 PolarHBondContact O-N 2.82Å; A222-V226 PolarHBondContact O-N 3.15Å
223	I	94.8	Very high	92.4	Very high	9 Å²	9	43.5 Å²	43.5	5%	0.046	22%	0.216	C	C	.	.	H	α-helix	trans	-62.6	-46.4	173	-68.1	-76.9	0	0	0	110.2	I89 A93 P191 E192 L195 V219 T220 D225 V226 H227	I89-I223 HydrophobicContact CG2-CD1 3.99Å; A93-I223 HydrophobicContact CB-CD1 3.5Å; A93-I223 VanDerWaalsContact CB-CD1 3.5Å; A93-I223 HydrophobicContact CB-CG1 4Å; P191-I223 HydrophobicContact CB-CD1 4.15Å; E192-I223 HydrophobicContact CB-CD1 4.21Å; E192-I223 HydrophobicContact CB-CG1 3.9Å; E192-I223 HydrophobicContact CB-CG2 4.38Å; E192-I223 HydrophobicContact CG-CG1 4.08Å; L195-I223 HydrophobicContact CD2-CD1 4.42Å; V219-I223 WeakPolarHBondContact O-CG1 3.47Å; V219-I223 PolarHBondContact O-N 2.87Å; T220-I223 PolarHBondContact O-N 3.08Å; I223-D225 VanDerWaalsContact C-N 3.25Å; I223-D225 PolarHBondContact O-N 3.47Å; I223-V226 WeakPolarHBondContact O-CB 3.48Å; I223-V226 PolarHBondContact O-N 3.11Å; I223-V226 VanDerWaalsContact O-N 3.13Å; I223-H227 PolarHBondContact O-CD2 3Å
224	R	91.6	Very high	92.4	Very high	122 Å²	122	46.1 Å²	46.1	46%	0.46	22%	0.221	S	C	.	.	H	α-helix	trans	-57.2	-40.8	176.1	-177.2	-174.1	68.2	-142.6	-7.3	111.6	T220 D221 V226 H227 V228	T220-R224 WeakPolarHBondContact O-CB 3.25Å; T220-R224 PolarHBondContact O-N 3.01Å; D221-R224 WeakPolarHBondContact O-CB 3.49Å; D221-R224 PolarHBondContact O-N 3.23Å; D221-R224 IonicContact OD1-CZ 2.62Å; D221-R224 IonicContact OD1-NH1 3.64Å; D221-R224 PolarHBondContact OD1-NH1 3.1Å; D221-R224 IonicContact OD1-NH2 3.38Å; D221-R224 PolarHBondContact OD1-NH2 3.34Å; D221-R224 IonicContact OD2-NH2 3.55Å; D221-R224 PolarHBondContact OD2-NH2 3.36Å; R224-V226 VanDerWaalsContact C-N 3.28Å; R224-V226 PolarHBondContact O-N 3.11Å; R224-H227 PolarHBondContact O-N 3Å; R224-H227 VanDerWaalsContact O-N 3.11Å; R224-V228 HydrophobicContact CG-CG2 3.89Å; R224-V228 WeakPolarHBondContact O-CG2 3.49Å; R224-V228 PolarHBondContact O-N 3.12Å
225	D	91.8	Very high	92.3	Very high	34 Å²	34	42.4 Å²	42.4	18%	0.182	20%	0.202	C	C	.	.	H	α-helix	trans	-61.3	-34.7	179.2	-93.4	21.3	0	0	0	112.6	I96 D221 A222 I223 H227 V228 K229	I96-D225 HydrophobicContact CD1-CB 4.12Å; D221-D225 WeakPolarHBondContact O-CB 3.34Å; D221-D225 PolarHBondContact O-N 2.7Å; A222-D225 WeakPolarHBondContact O-CB 3.4Å; A222-D225 PolarHBondContact O-N 2.82Å; I223-D225 VanDerWaalsContact C-N 3.25Å; I223-D225 PolarHBondContact O-N 3.47Å; D225-H227 VanDerWaalsContact C-N 3.3Å; D225-H227 PolarHBondContact O-N 2.82Å; D225-V228 PolarHBondContact O-N 3.11Å; D225-K229 HydrophobicContact CB-CD 4.41Å; D225-K229 WeakPolarHBondContact O-CB 3.32Å; D225-K229 VanDerWaalsContact O-CG 3.23Å; D225-K229 WeakPolarHBondContact O-CG 3.21Å; D225-K229 PolarHBondContact O-N 2.61Å; D225-K229 VanDerWaalsContact OD2-CE 3.32Å; D225-K229 WeakPolarHBondContact OD2-CE 3.38Å; D225-K229 IonicContact OD2-NZ 2.71Å; D225-K229 PolarHBondContact OD2-NZ 2.93Å
226	V	91.4	Very high	92.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.6	-42.5	173.6	178.4	0	0	0	0	110.9	I89 A92 A93 I96 A222 I223 R224 G230 L231 W235	I89-V226 HydrophobicContact CG1-CG1 4.38Å; I89-V226 HydrophobicContact CG2-CG1 4.43Å; A92-V226 HydrophobicContact CB-CG2 3.93Å; A93-V226 HydrophobicContact CB-CG2 4.04Å; I96-V226 HydrophobicContact CD1-CG2 3.97Å; A222-V226 PolarHBondContact O-N 3.15Å; I223-V226 WeakPolarHBondContact O-CB 3.48Å; I223-V226 PolarHBondContact O-N 3.11Å; I223-V226 VanDerWaalsContact O-N 3.13Å; R224-V226 VanDerWaalsContact C-N 3.28Å; R224-V226 PolarHBondContact O-N 3.11Å; V226-G230 PolarHBondContact O-N 2.9Å; V226-L231 HydrophobicContact CG1-CB 4.11Å; V226-L231 PolarHBondContact O-N 3.17Å; V226-L231 VanDerWaalsContact O-N 3.12Å; V226-W235 HydrophobicContact CG1-CH2 3.85Å; V226-W235 HydrophobicContact CG1-CZ3 3.95Å
227	H	84.6	Confident	92.1	Very high	43 Å²	43	43.2 Å²	43.2	20%	0.199	21%	0.207	C	C	.	.	H	α-helix	trans	-73.1	-43.9	177.1	-72.7	-97.6	0	0	0	112.6	F188 I223 R224 D225 G230 M232	F188-H227 AromaticContact CD1-CE1 3.66Å; F188-H227 AromaticContact CG-CE1 3.8Å; I223-H227 PolarHBondContact O-CD2 3Å; R224-H227 PolarHBondContact O-N 3Å; R224-H227 VanDerWaalsContact O-N 3.11Å; D225-H227 VanDerWaalsContact C-N 3.3Å; D225-H227 PolarHBondContact O-N 2.82Å; H227-G230 PolarHBondContact O-N 2.99Å; H227-G230 VanDerWaalsContact O-N 3.15Å; H227-M232 PolarHBondContact CE1-SD 3.45Å
228	V	82.7	Confident	92	Very high	110 Å²	110	44.9 Å²	44.9	67%	0.667	22%	0.217	S	C	*	.	H	α-helix	trans	-70.2	-39.9	-176.4	171	0	0	0	0	111.9	R224 D225 G230	R224-V228 HydrophobicContact CG-CG2 3.89Å; R224-V228 WeakPolarHBondContact O-CG2 3.49Å; R224-V228 PolarHBondContact O-N 3.12Å; D225-V228 PolarHBondContact O-N 3.11Å; V228-G230 PolarHBondContact O-N 3.16Å
229	K	85.2	Confident	91.9	Very high	93 Å²	93	46.8 Å²	46.8	40%	0.404	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-8.3	174	-64.9	172.2	-174.6	165	0	112.1	D225 L231	D225-K229 HydrophobicContact CB-CD 4.41Å; D225-K229 WeakPolarHBondContact O-CB 3.32Å; D225-K229 VanDerWaalsContact O-CG 3.23Å; D225-K229 WeakPolarHBondContact O-CG 3.21Å; D225-K229 PolarHBondContact O-N 2.61Å; D225-K229 VanDerWaalsContact OD2-CE 3.32Å; D225-K229 WeakPolarHBondContact OD2-CE 3.38Å; D225-K229 IonicContact OD2-NZ 2.71Å; D225-K229 PolarHBondContact OD2-NZ 2.93Å; K229-L231 VanDerWaalsContact C-N 3.3Å; K229-L231 HydrophobicContact CB-CG 4.26Å; K229-L231 PolarHBondContact O-N 3.02Å
230	G	86.2	Confident	91.8	Very high	12 Å²	12	48.4 Å²	48.4	12%	0.124	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	18.7	176.1	0	0	0	0	0	114.2	V226 H227 V228 M232 Y233 Q234	V226-G230 PolarHBondContact O-N 2.9Å; H227-G230 PolarHBondContact O-N 2.99Å; H227-G230 VanDerWaalsContact O-N 3.15Å; V228-G230 PolarHBondContact O-N 3.16Å; G230-M232 VanDerWaalsContact C-N 3.29Å; G230-M232 PolarHBondContact O-N 3.06Å; G230-Y233 PolarHBondContact O-N 3.11Å; G230-Q234 WeakPolarHBondContact O-CG 3.47Å; G230-Q234 PolarHBondContact O-N 3.38Å
231	L	89.8	Confident	91.7	Very high	45 Å²	45	54.6 Å²	54.6	24%	0.236	26%	0.261	C	S	.	.	H	α-helix	trans	-59.8	-43.3	179.8	-64.7	178	0	0	0	111	A92 V226 K229 Y233 Q234 W235	A92-L231 HydrophobicContact CB-CD1 4.35Å; V226-L231 HydrophobicContact CG1-CB 4.11Å; V226-L231 PolarHBondContact O-N 3.17Å; V226-L231 VanDerWaalsContact O-N 3.12Å; K229-L231 VanDerWaalsContact C-N 3.3Å; K229-L231 HydrophobicContact CB-CG 4.26Å; K229-L231 PolarHBondContact O-N 3.02Å; L231-Y233 VanDerWaalsContact C-N 3.33Å; L231-Y233 PolarHBondContact O-N 2.97Å; L231-Q234 WeakPolarHBondContact O-CB 3.32Å; L231-Q234 PolarHBondContact O-N 3.17Å; L231-Q234 VanDerWaalsContact O-N 3.11Å; L231-W235 HydrophobicContact CB-CH2 4.04Å; L231-W235 HydrophobicContact CB-CZ2 3.83Å; L231-W235 HydrophobicContact CD1-CZ2 4.45Å; L231-W235 VanDerWaalsContact O-CD2 3.26Å; L231-W235 VanDerWaalsContact O-CG 3.29Å; L231-W235 PolarHBondContact O-N 3.01Å
232	M	90.7	Very high	91.6	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-55.7	-47.6	175.1	-172.9	-171.5	77.7	0	0	111.9	L85 I89 F188 H227 G230 Q234 W235 I236	L85-M232 HydrophobicContact CD1-CG 4.06Å; L85-M232 HydrophobicContact CD2-CG 3.98Å; L85-M232 HydrophobicContact CD2-SD 4.19Å; L85-M232 HydrophobicContact CG-CG 4.4Å; I89-M232 HydrophobicContact CD1-CG 4.49Å; I89-M232 HydrophobicContact CD1-SD 4.32Å; F188-M232 HydrophobicContact CD1-SD 3.99Å; F188-M232 HydrophobicContact CE1-CE 4.18Å; F188-M232 HydrophobicContact CE1-SD 3.32Å; F188-M232 WeakPolarHBondContact CE1-SD 3.44Å; F188-M232 HydrophobicContact CZ-CE 4.15Å; F188-M232 HydrophobicContact CZ-SD 3.9Å; H227-M232 PolarHBondContact CE1-SD 3.45Å; G230-M232 VanDerWaalsContact C-N 3.29Å; G230-M232 PolarHBondContact O-N 3.06Å; M232-Q234 VanDerWaalsContact C-N 3.31Å; M232-Q234 PolarHBondContact O-N 3.4Å; M232-W235 PolarHBondContact O-N 3.08Å; M232-I236 HydrophobicContact CG-CD1 3.97Å; M232-I236 WeakPolarHBondContact O-CD1 3.26Å; M232-I236 WeakPolarHBondContact O-CG1 3.44Å; M232-I236 PolarHBondContact O-N 2.98Å; M232-I236 VanDerWaalsContact O-N 3.14Å
233	Y	92.1	Very high	91.5	Very high	44 Å²	44	58.6 Å²	58.6	17%	0.173	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-40.5	177.9	-53.7	-48.3	0	0	0	111.2	G230 L231 I236 E237 P271 F274	G230-Y233 PolarHBondContact O-N 3.11Å; L231-Y233 VanDerWaalsContact C-N 3.33Å; L231-Y233 PolarHBondContact O-N 2.97Å; Y233-I236 PolarHBondContact O-N 3.25Å; Y233-E237 VanDerWaalsContact O-CB 3.25Å; Y233-E237 WeakPolarHBondContact O-CB 3.47Å; Y233-E237 WeakPolarHBondContact O-CG 3.43Å; Y233-E237 PolarHBondContact O-N 2.62Å; Y233-P271 HydrophobicContact CD2-CG 4.36Å; Y233-P271 HydrophobicContact CE2-CG 4.09Å; Y233-F274 HydrophobicContact CD1-CB 4.24Å; Y233-F274 AromaticContact CD1-CD1 3.41Å; Y233-F274 HydrophobicContact CD1-CD1 3.41Å; Y233-F274 VanDerWaalsContact CD1-CD1 3.41Å; Y233-F274 AromaticContact CD1-CD2 3.63Å; Y233-F274 HydrophobicContact CD1-CD2 3.63Å; Y233-F274 AromaticContact CD1-CE1 3.49Å; Y233-F274 HydrophobicContact CD1-CE1 3.49Å; Y233-F274 VanDerWaalsContact CD1-CE1 3.49Å; Y233-F274 AromaticContact CD1-CE2 3.74Å; Y233-F274 HydrophobicContact CD1-CE2 3.74Å; Y233-F274 AromaticContact CD1-CG 3.47Å; Y233-F274 HydrophobicContact CD1-CG 3.47Å; Y233-F274 VanDerWaalsContact CD1-CG 3.47Å; Y233-F274 AromaticContact CD1-CZ 3.67Å; Y233-F274 HydrophobicContact CD1-CZ 3.67Å; Y233-F274 AromaticContact CE1-CD1 3.6Å; Y233-F274 HydrophobicContact CE1-CD1 3.6Å; Y233-F274 AromaticContact CE1-CE1 3.7Å; Y233-F274 HydrophobicContact CE1-CE1 3.7Å; Y233-F274 HydrophobicContact CE1-CG 4.08Å; Y233-F274 HydrophobicContact CE1-CZ 4.29Å; Y233-F274 HydrophobicContact CG-CB 4.38Å; Y233-F274 HydrophobicContact CG-CD1 4.33Å; Y233-F274 AromaticContact CG-CD2 3.99Å; Y233-F274 HydrophobicContact CG-CD2 3.99Å; Y233-F274 HydrophobicContact CG-CE2 4.37Å; Y233-F274 AromaticContact CG-CG 3.97Å; Y233-F274 HydrophobicContact CG-CG 3.97Å
234	Q	93.3	Very high	91.5	Very high	94 Å²	94	58.7 Å²	58.7	44%	0.439	28%	0.278	S	S	.	.	H	α-helix	trans	-62.5	-45.3	178.3	-69.8	170.9	10.6	0	0	112.2	G230 L231 M232 E237 Q238	G230-Q234 WeakPolarHBondContact O-CG 3.47Å; G230-Q234 PolarHBondContact O-N 3.38Å; L231-Q234 WeakPolarHBondContact O-CB 3.32Å; L231-Q234 PolarHBondContact O-N 3.17Å; L231-Q234 VanDerWaalsContact O-N 3.11Å; M232-Q234 VanDerWaalsContact C-N 3.31Å; M232-Q234 PolarHBondContact O-N 3.4Å; Q234-E237 PolarHBondContact O-N 3.05Å; Q234-Q238 VanDerWaalsContact O-CG 3.23Å; Q234-Q238 WeakPolarHBondContact O-CG 3.29Å; Q234-Q238 PolarHBondContact O-N 3.38Å
235	W	94.6	Very high	91.6	Very high	41 Å²	41	56.4 Å²	56.4	16%	0.155	28%	0.275	C	S	.	.	H	α-helix	trans	-63.1	-43.9	178.7	-57.7	-37.1	0	0	0	112	L85 E88 I89 A92 V226 L231 M232 Q238 D239 Y243	L85-W235 HydrophobicContact CD1-CE3 4.12Å; E88-W235 HydrophobicContact CB-CD2 4.18Å; E88-W235 HydrophobicContact CB-CE3 3.68Å; E88-W235 HydrophobicContact CB-CH2 4.01Å; E88-W235 HydrophobicContact CB-CZ2 4.46Å; E88-W235 HydrophobicContact CB-CZ3 3.6Å; E88-W235 WeakPolarHBondContact O-CH2 3.35Å; I89-W235 HydrophobicContact CG1-CZ3 4Å; A92-W235 HydrophobicContact CB-CH2 3.54Å; A92-W235 HydrophobicContact CB-CZ2 3.87Å; V226-W235 HydrophobicContact CG1-CH2 3.85Å; V226-W235 HydrophobicContact CG1-CZ3 3.95Å; L231-W235 HydrophobicContact CB-CH2 4.04Å; L231-W235 HydrophobicContact CB-CZ2 3.83Å; L231-W235 HydrophobicContact CD1-CZ2 4.45Å; L231-W235 VanDerWaalsContact O-CD2 3.26Å; L231-W235 VanDerWaalsContact O-CG 3.29Å; L231-W235 PolarHBondContact O-N 3.01Å; M232-W235 PolarHBondContact O-N 3.08Å; W235-Q238 PolarHBondContact O-N 2.96Å; W235-D239 PolarHBondContact O-N 3.42Å; W235-Y243 HydrophobicContact CB-CE2 4.42Å; W235-Y243 WeakPolarHBondContact O-CD2 3.32Å; W235-Y243 WeakPolarHBondContact O-CE2 3.28Å
236	I	94.3	Very high	91.4	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-65.2	-42	177.3	-63.9	164.7	0	0	0	110.5	Y81 L85 M232 Y233 Q238 D239 M240 Y243 I244 F274	Y81-I236 HydrophobicContact CD1-CD1 3.91Å; Y81-I236 HydrophobicContact CD1-CG1 4.49Å; Y81-I236 HydrophobicContact CE1-CD1 3.71Å; Y81-I236 HydrophobicContact CE1-CG2 4.17Å; Y81-I236 HydrophobicContact CG-CD1 4.48Å; L85-I236 HydrophobicContact CD1-CD1 4.32Å; L85-I236 HydrophobicContact CD1-CG1 4.1Å; L85-I236 HydrophobicContact CD2-CD1 4.02Å; M232-I236 HydrophobicContact CG-CD1 3.97Å; M232-I236 WeakPolarHBondContact O-CD1 3.26Å; M232-I236 WeakPolarHBondContact O-CG1 3.44Å; M232-I236 PolarHBondContact O-N 2.98Å; M232-I236 VanDerWaalsContact O-N 3.14Å; Y233-I236 PolarHBondContact O-N 3.25Å; I236-Q238 VanDerWaalsContact C-N 3.29Å; I236-Q238 PolarHBondContact O-N 2.75Å; I236-D239 CarbonylContact O-C 3.47Å; I236-D239 VanDerWaalsContact O-C 3.26Å; I236-D239 PolarHBondContact O-N 2.72Å; I236-M240 WeakPolarHBondContact O-CA 3.39Å; I236-M240 VanDerWaalsContact O-CG 3.22Å; I236-M240 WeakPolarHBondContact O-CG 3.39Å; I236-M240 PolarHBondContact O-N 3.15Å; I236-M240 VanDerWaalsContact O-N 3.15Å; I236-Y243 HydrophobicContact CG1-CG 4.28Å; I236-I244 HydrophobicContact CG2-CD1 4.21Å; I236-I244 HydrophobicContact CG2-CG1 4.05Å; I236-F274 HydrophobicContact CB-CE2 4Å; I236-F274 HydrophobicContact CB-CZ 4.37Å; I236-F274 HydrophobicContact CD1-CE2 4.27Å; I236-F274 HydrophobicContact CD1-CZ 3.87Å; I236-F274 HydrophobicContact CG2-CE2 3.84Å; I236-F274 HydrophobicContact CG2-CZ 4.09Å
237	E	94.4	Very high	91.3	Very high	52 Å²	52	59.1 Å²	59.1	24%	0.243	29%	0.287	C	S	.	.	H	α-helix	trans	-68.7	-25.7	179.9	-74.5	177.7	179.5	0	0	113.7	Y233 Q234 M240 F274 K277	Y233-E237 VanDerWaalsContact O-CB 3.25Å; Y233-E237 WeakPolarHBondContact O-CB 3.47Å; Y233-E237 WeakPolarHBondContact O-CG 3.43Å; Y233-E237 PolarHBondContact O-N 2.62Å; Q234-E237 PolarHBondContact O-N 3.05Å; E237-M240 HydrophobicContact CB-CE 4.18Å; E237-M240 HydrophobicContact CG-CE 4.1Å; E237-F274 HydrophobicContact CG-CD2 4.02Å; E237-F274 HydrophobicContact CG-CE2 4.39Å; E237-K277 VanDerWaalsContact CD-CD 3.49Å; E237-K277 HydrophobicContact CG-CD 3.78Å; E237-K277 WeakPolarHBondContact OE1-CD 3.17Å; E237-K277 IonicContact OE1-NZ 2.93Å; E237-K277 IonicContact OE2-NZ 3.8Å; E237-K277 PolarHBondContact OE2-NZ 3.11Å
238	Q	94.6	Very high	91.7	Very high	154 Å²	154	62.9 Å²	62.9	72%	0.72	31%	0.308	S	S	*	.	H	α-helix	trans	-70.9	-32.5	175.6	-78	169.9	4.1	0	0	112.4	Q234 W235 I236	Q234-Q238 VanDerWaalsContact O-CG 3.23Å; Q234-Q238 WeakPolarHBondContact O-CG 3.29Å; Q234-Q238 PolarHBondContact O-N 3.38Å; W235-Q238 PolarHBondContact O-N 2.96Å; I236-Q238 VanDerWaalsContact C-N 3.29Å; I236-Q238 PolarHBondContact O-N 2.75Å
239	D	94.6	Very high	92.3	Very high	71 Å²	71	58.7 Å²	58.7	38%	0.38	28%	0.282	S	S	.	.			trans	-149.1	77.4	-178	-167.9	-13.1	0	0	0	111.2	W235 I236 E241 K242 Y243	W235-D239 PolarHBondContact O-N 3.42Å; I236-D239 CarbonylContact O-C 3.47Å; I236-D239 VanDerWaalsContact O-C 3.26Å; I236-D239 PolarHBondContact O-N 2.72Å; D239-E241 VanDerWaalsContact C-N 3.3Å; D239-E241 PolarHBondContact O-N 3.25Å; D239-K242 HydrophobicContact CB-CB 4.13Å; D239-K242 PolarHBondContact O-N 3.36Å; D239-K242 VanDerWaalsContact OD1-CB 3.3Å; D239-K242 WeakPolarHBondContact OD1-CB 3.49Å; D239-K242 PolarHBondContact OD1-N 3.29Å; D239-K242 VanDerWaalsContact OD1-N 3.08Å; D239-K242 WeakPolarHBondContact OD2-CB 3.01Å; D239-Y243 HydrophobicContact CB-CD2 4.45Å; D239-Y243 VanDerWaalsContact O-CD2 3.23Å; D239-Y243 WeakPolarHBondContact O-CD2 3.34Å; D239-Y243 PolarHBondContact O-N 3.26Å
240	M	94.3	Very high	92.9	Very high	33 Å²	33	54.5 Å²	54.5	16%	0.163	26%	0.263	C	S	.	.	H	α-helix	trans	-67.6	-31	-177	-67.5	-179.7	-157.2	0	0	112.7	I236 E237 K242 Y243 I244 K277 H281	I236-M240 WeakPolarHBondContact O-CA 3.39Å; I236-M240 VanDerWaalsContact O-CG 3.22Å; I236-M240 WeakPolarHBondContact O-CG 3.39Å; I236-M240 PolarHBondContact O-N 3.15Å; I236-M240 VanDerWaalsContact O-N 3.15Å; E237-M240 HydrophobicContact CB-CE 4.18Å; E237-M240 HydrophobicContact CG-CE 4.1Å; M240-K242 VanDerWaalsContact C-N 3.35Å; M240-Y243 PolarHBondContact O-N 3.09Å; M240-I244 HydrophobicContact CB-CD1 4.19Å; M240-I244 HydrophobicContact CG-CD1 4.27Å; M240-I244 WeakPolarHBondContact O-CB 3.37Å; M240-I244 PolarHBondContact O-N 3.46Å; M240-K277 HydrophobicContact CE-CB 3.64Å; M240-K277 HydrophobicContact CE-CD 4.15Å; M240-K277 HydrophobicContact CE-CG 4.3Å; M240-H281 HydrophobicContact SD-CB 3.75Å
241	E	93.1	Very high	93.4	Very high	165 Å²	165	58.1 Å²	58.1	77%	0.771	28%	0.276	S	S	*	.	H	α-helix	trans	-66.9	-38.4	179.4	-174.3	175.4	-178.1	0	0	111.2	D239	D239-E241 VanDerWaalsContact C-N 3.3Å; D239-E241 PolarHBondContact O-N 3.25Å
242	K	94	Very high	93.8	Very high	96 Å²	96	57 Å²	57	42%	0.417	27%	0.273	S	S	.	.	H	α-helix	trans	-67.5	-41.9	174	179.7	-172.5	177.3	-164.8	0	112.8	A82 D239 M240	A82-K242 WeakPolarHBondContact CB-O 3.28Å; D239-K242 HydrophobicContact CB-CB 4.13Å; D239-K242 PolarHBondContact O-N 3.36Å; D239-K242 VanDerWaalsContact OD1-CB 3.3Å; D239-K242 WeakPolarHBondContact OD1-CB 3.49Å; D239-K242 PolarHBondContact OD1-N 3.29Å; D239-K242 VanDerWaalsContact OD1-N 3.08Å; D239-K242 WeakPolarHBondContact OD2-CB 3.01Å; M240-K242 VanDerWaalsContact C-N 3.35Å
243	Y	94.4	Very high	94.1	Very high	10 Å²	10	57 Å²	57	4%	0.039	27%	0.274	C	S	.	.	H	α-helix	trans	-97.6	-30.2	-167.3	-72.3	-64.7	0	0	0	114.9	Y81 A82 A84 L85 W235 I236 D239 M240	Y81-Y243 CarbonylContact C-O 3.05Å; Y81-Y243 WeakPolarHBondContact CA-O 3.47Å; A82-Y243 PolarHBondContact N-O 3.03Å; A84-Y243 HydrophobicContact CB-CE1 4.09Å; L85-Y243 HydrophobicContact CB-CD1 4.28Å; L85-Y243 HydrophobicContact CB-CE1 4.37Å; L85-Y243 HydrophobicContact CD1-CD1 4.42Å; L85-Y243 HydrophobicContact CD1-CE1 4.38Å; W235-Y243 HydrophobicContact CB-CE2 4.42Å; W235-Y243 WeakPolarHBondContact O-CD2 3.32Å; W235-Y243 WeakPolarHBondContact O-CE2 3.28Å; I236-Y243 HydrophobicContact CG1-CG 4.28Å; D239-Y243 HydrophobicContact CB-CD2 4.45Å; D239-Y243 VanDerWaalsContact O-CD2 3.23Å; D239-Y243 WeakPolarHBondContact O-CD2 3.34Å; D239-Y243 PolarHBondContact O-N 3.26Å; M240-Y243 PolarHBondContact O-N 3.09Å
244	I	94.9	Very high	94.4	Very high	11 Å²	11	55 Å²	55	6%	0.056	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	117	-179.3	-59.1	-178.4	0	0	0	109.1	Y81 I236 M240 M282	Y81-I244 HydrophobicContact CD1-CG1 4.35Å; Y81-I244 HydrophobicContact CE1-CG1 4.16Å; I236-I244 HydrophobicContact CG2-CD1 4.21Å; I236-I244 HydrophobicContact CG2-CG1 4.05Å; M240-I244 HydrophobicContact CB-CD1 4.19Å; M240-I244 HydrophobicContact CG-CD1 4.27Å; M240-I244 WeakPolarHBondContact O-CB 3.37Å; M240-I244 PolarHBondContact O-N 3.46Å; I244-M282 HydrophobicContact CG2-CG 3.62Å; I244-M282 HydrophobicContact CG2-SD 3.51Å; I244-M282 VanDerWaalsContact CG2-SD 3.51Å
245	L	92.9	Very high	94.6	Very high	74 Å²	74	52 Å²	52	39%	0.387	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	150.5	177.4	-51.4	-177.3	0	0	0	110.5	Q80 A82 G247	Q80-L245 HydrophobicContact CB-CB 4.37Å; Q80-L245 WeakPolarHBondContact O-CB 3.41Å; Q80-L245 PolarHBondContact O-N 2.91Å; A82-L245 HydrophobicContact CB-CD1 4.4Å; A82-L245 HydrophobicContact CB-CD2 4.13Å; A82-L245 HydrophobicContact CB-CG 4.31Å; L245-G247 PolarHBondContact O-N 3.24Å
246	R	87.1	Confident	94.8	Very high	77 Å²	77	52.7 Å²	52.7	29%	0.291	26%	0.258	S	S	.	.			trans	60.6	34.7	169.5	-53.1	-174.2	-178.3	-95.4	7.1	115.7	Q80 D248 E249 T250 E383 S472	Q80-R246 VanDerWaalsContact OE1-CD 3.25Å; R246-D248 VanDerWaalsContact C-N 3.35Å; R246-D248 PolarHBondContact O-N 3.44Å; R246-E249 WeakPolarHBondContact CA-OE2 3.4Å; R246-E249 WeakPolarHBondContact CB-OE2 3.44Å; R246-E249 IonicContact NH1-OE1 3.52Å; R246-E249 PolarHBondContact NH1-OE1 3.3Å; R246-E249 PolarHBondContact O-N 3.28Å; R246-T250 PolarHBondContact O-N 2.88Å; R246-T250 PolarHBondContact O-OG1 3.18Å; R246-E383 IonicContact NH2-OE2 2.75Å; R246-E383 PolarHBondContact NH2-OE2 3.45Å; R246-S472 VanDerWaalsContact CD-OG 3.27Å; R246-S472 WeakPolarHBondContact CD-OG 3.49Å
247	G	90.1	Very high	95	Very high	14 Å²	14	53.1 Å²	53.1	14%	0.144	26%	0.26	C	S	.	.	H	α-helix	trans	-57.9	-46.4	178.5	0	0	0	0	0	112.6	L245 E249 T250 F251	L245-G247 PolarHBondContact O-N 3.24Å; G247-E249 PolarHBondContact O-N 2.93Å; G247-T250 WeakPolarHBondContact O-CB 3.45Å; G247-T250 PolarHBondContact O-N 3.28Å; G247-F251 PolarHBondContact O-N 3.49Å
248	D	93.3	Very high	95.1	Very high	122 Å²	122	52.9 Å²	52.9	65%	0.652	26%	0.262	S	S	*	.	H	α-helix	trans	-63	-43	-179	-68.9	-20.1	0	0	0	112.3	R246 F251 A252	R246-D248 VanDerWaalsContact C-N 3.35Å; R246-D248 PolarHBondContact O-N 3.44Å; D248-F251 PolarHBondContact O-N 3.44Å; D248-A252 WeakPolarHBondContact O-CB 3.15Å; D248-A252 PolarHBondContact O-N 2.97Å
249	E	95.5	Very high	95.3	Very high	22 Å²	22	49.4 Å²	49.4	10%	0.103	26%	0.26	C	S	.	.	H	α-helix	trans	-68.7	-35.8	177	-56.2	101.9	112.6	0	0	112.1	R246 G247 A252 V253 L477	R246-E249 WeakPolarHBondContact CA-OE2 3.4Å; R246-E249 WeakPolarHBondContact CB-OE2 3.44Å; R246-E249 IonicContact NH1-OE1 3.52Å; R246-E249 PolarHBondContact NH1-OE1 3.3Å; R246-E249 PolarHBondContact O-N 3.28Å; G247-E249 PolarHBondContact O-N 2.93Å; E249-A252 PolarHBondContact O-N 2.98Å; E249-V253 WeakPolarHBondContact O-CG2 3.21Å; E249-V253 PolarHBondContact O-N 2.91Å; E249-L477 HydrophobicContact CB-CD1 4.18Å
250	T	96.4	Very high	95.4	Very high	4 Å²	4	50.8 Å²	50.8	3%	0.025	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-46.7	172.5	-73	0	0	0	0	110.6	L78 R246 G247 A252 V253 L254	L78-T250 HydrophobicContact CB-CG2 4.31Å; L78-T250 HydrophobicContact CD2-CG2 4.06Å; L78-T250 PolarHBondContact O-OG1 3.23Å; R246-T250 PolarHBondContact O-N 2.88Å; R246-T250 PolarHBondContact O-OG1 3.18Å; G247-T250 WeakPolarHBondContact O-CB 3.45Å; G247-T250 PolarHBondContact O-N 3.28Å; T250-A252 VanDerWaalsContact C-N 3.34Å; T250-A252 PolarHBondContact O-N 2.93Å; T250-V253 PolarHBondContact O-N 2.98Å; T250-L254 HydrophobicContact CG2-CD1 4.02Å; T250-L254 WeakPolarHBondContact O-CG 3.38Å; T250-L254 PolarHBondContact O-N 3.14Å; T250-L254 VanDerWaalsContact O-N 3.08Å
251	F	97.1	Very high	95.5	Very high	89 Å²	89	52.4 Å²	52.4	39%	0.39	29%	0.288	S	S	.	.	H	α-helix	trans	-58	-45.6	174.2	174.6	-107.8	0	0	0	112.2	G247 D248 V253 L254 S255 V283	G247-F251 PolarHBondContact O-N 3.49Å; D248-F251 PolarHBondContact O-N 3.44Å; F251-V253 VanDerWaalsContact C-N 3.35Å; F251-V253 PolarHBondContact O-N 3.5Å; F251-L254 PolarHBondContact O-N 3.15Å; F251-S255 VanDerWaalsContact CE2-OG 3.24Å; F251-S255 WeakPolarHBondContact CE2-OG 3.27Å; F251-S255 WeakPolarHBondContact CZ-OG 3.24Å; F251-S255 VanDerWaalsContact O-CB 3.26Å; F251-S255 WeakPolarHBondContact O-CB 3.24Å; F251-S255 PolarHBondContact O-N 3.38Å; F251-S255 PolarHBondContact O-OG 3.46Å; F251-V283 HydrophobicContact CD2-CB 4.15Å; F251-V283 HydrophobicContact CD2-CG1 3.67Å; F251-V283 WeakPolarHBondContact CD2-O 3.31Å; F251-V283 HydrophobicContact CE2-CG1 4.2Å
252	A	97.6	Very high	95.8	Very high	21 Å²	21	46 Å²	46	17%	0.174	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-42	179.9	0	0	0	0	0	112.1	D248 E249 T250 R256 L477	D248-A252 WeakPolarHBondContact O-CB 3.15Å; D248-A252 PolarHBondContact O-N 2.97Å; E249-A252 PolarHBondContact O-N 2.98Å; T250-A252 VanDerWaalsContact C-N 3.34Å; T250-A252 PolarHBondContact O-N 2.93Å; A252-R256 WeakPolarHBondContact O-CB 3.34Å; A252-R256 PolarHBondContact O-N 2.71Å; A252-L477 HydrophobicContact CB-CD1 4.04Å; A252-L477 HydrophobicContact CB-CD2 4.12Å
253	V	97.9	Very high	96	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-64	-52.2	177	172.5	0	0	0	0	111	E249 T250 F251 S255 R256 L257 L473 L476 L477	E249-V253 WeakPolarHBondContact O-CG2 3.21Å; E249-V253 PolarHBondContact O-N 2.91Å; T250-V253 PolarHBondContact O-N 2.98Å; F251-V253 VanDerWaalsContact C-N 3.35Å; F251-V253 PolarHBondContact O-N 3.5Å; V253-S255 PolarHBondContact O-N 3.26Å; V253-R256 PolarHBondContact O-N 3.37Å; V253-L257 HydrophobicContact CG1-CD1 4.01Å; V253-L257 HydrophobicContact CG1-CG 4.46Å; V253-L257 WeakPolarHBondContact O-CG 3.22Å; V253-L257 PolarHBondContact O-N 3.28Å; V253-L473 HydrophobicContact CB-CD2 4.38Å; V253-L473 HydrophobicContact CB-CG 4.48Å; V253-L473 HydrophobicContact CG1-CD2 3.96Å; V253-L473 HydrophobicContact CG1-CG 3.98Å; V253-L473 HydrophobicContact CG2-CG 4.44Å; V253-L476 HydrophobicContact CG1-CB 4.47Å; V253-L476 HydrophobicContact CG1-CD1 3.97Å; V253-L476 HydrophobicContact CG2-CB 4.44Å; V253-L477 HydrophobicContact CB-CD2 4.49Å; V253-L477 HydrophobicContact CG2-CD1 4.21Å; V253-L477 HydrophobicContact CG2-CD2 3.69Å; V253-L477 HydrophobicContact CG2-CG 3.67Å
254	L	98.3	Very high	96.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.7	-47.3	-177	-64.5	173.4	0	0	0	111	F72 L78 T250 F251 R256 L257 V258 L264 M279 V283 L290 F291	F72-L254 HydrophobicContact CD2-CD2 4.3Å; F72-L254 HydrophobicContact CE2-CD2 3.85Å; F72-L254 HydrophobicContact CZ-CD2 4.06Å; L78-L254 HydrophobicContact CD2-CD1 4.44Å; L78-L254 HydrophobicContact CD2-CD2 4.1Å; T250-L254 HydrophobicContact CG2-CD1 4.02Å; T250-L254 WeakPolarHBondContact O-CG 3.38Å; T250-L254 PolarHBondContact O-N 3.14Å; T250-L254 VanDerWaalsContact O-N 3.08Å; F251-L254 PolarHBondContact O-N 3.15Å; L254-R256 VanDerWaalsContact C-N 3.32Å; L254-R256 PolarHBondContact O-N 3.07Å; L254-L257 PolarHBondContact O-N 3.15Å; L254-V258 WeakPolarHBondContact O-CG2 3.32Å; L254-V258 PolarHBondContact O-N 2.94Å; L254-L264 HydrophobicContact CB-CD1 4.29Å; L254-L264 HydrophobicContact CD2-CD1 3.89Å; L254-M279 HydrophobicContact CD1-CE 4.19Å; L254-V283 HydrophobicContact CD1-CG2 4Å; L254-L290 HydrophobicContact CB-CD1 3.99Å; L254-L290 HydrophobicContact CD1-CD1 4.47Å; L254-F291 HydrophobicContact CD1-CE2 4.17Å; L254-F291 HydrophobicContact CD1-CZ 3.9Å; L254-F291 HydrophobicContact CD2-CE1 4.38Å; L254-F291 HydrophobicContact CD2-CZ 3.9Å
255	S	97.6	Very high	96.3	Very high	33 Å²	33	43.9 Å²	43.9	23%	0.231	25%	0.25	C	C	.	.	H	α-helix	trans	-60.6	-41.7	177.9	-63.7	0	0	0	0	111.9	F251 V253 L257 V258 A259	F251-S255 VanDerWaalsContact CE2-OG 3.24Å; F251-S255 WeakPolarHBondContact CE2-OG 3.27Å; F251-S255 WeakPolarHBondContact CZ-OG 3.24Å; F251-S255 VanDerWaalsContact O-CB 3.26Å; F251-S255 WeakPolarHBondContact O-CB 3.24Å; F251-S255 PolarHBondContact O-N 3.38Å; F251-S255 PolarHBondContact O-OG 3.46Å; V253-S255 PolarHBondContact O-N 3.26Å; S255-L257 PolarHBondContact O-N 2.85Å; S255-V258 PolarHBondContact O-N 3Å; S255-A259 VanDerWaalsContact O-CB 3.28Å; S255-A259 WeakPolarHBondContact O-CB 3.38Å; S255-A259 PolarHBondContact O-N 2.68Å
256	R	97.8	Very high	96.6	Very high	55 Å²	55	40.4 Å²	40.4	21%	0.208	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-42.3	177.5	-177.4	178.8	-174.8	-163	1.7	112.1	A252 V253 L254 A259 H260 L476 L477 Y479 V481	A252-R256 WeakPolarHBondContact O-CB 3.34Å; A252-R256 PolarHBondContact O-N 2.71Å; V253-R256 PolarHBondContact O-N 3.37Å; L254-R256 VanDerWaalsContact C-N 3.32Å; L254-R256 PolarHBondContact O-N 3.07Å; R256-A259 PolarHBondContact O-N 2.92Å; R256-H260 PolarHBondContact O-N 2.88Å; R256-H260 PolarHBondContact O-ND1 3.4Å; R256-L476 PolarHBondContact NH1-O 3.08Å; R256-L476 VanDerWaalsContact NH1-O 3.14Å; R256-L477 PolarHBondContact NH1-O 3.47Å; R256-Y479 PolarHBondContact NH1-O 3.34Å; R256-Y479 PolarHBondContact NH2-O 3.44Å; R256-V481 HydrophobicContact CG-CG1 4.35Å
257	L	98.3	Very high	97	Very high	9 Å²	9	36.7 Å²	36.7	5%	0.047	22%	0.218	C	C	.	.	H	α-helix	trans	-64.7	-46.4	178.3	-68.8	172	0	0	0	111.1	Y70 F72 V253 L254 S255 A259 H260 G261 K262 L264	Y70-L257 HydrophobicContact CD1-CD1 3.78Å; Y70-L257 HydrophobicContact CD1-CD2 4.04Å; Y70-L257 HydrophobicContact CD2-CD2 4.22Å; Y70-L257 HydrophobicContact CE1-CD1 4.32Å; Y70-L257 HydrophobicContact CE1-CD2 3.79Å; Y70-L257 HydrophobicContact CE2-CD2 3.98Å; Y70-L257 HydrophobicContact CG-CD1 3.94Å; Y70-L257 HydrophobicContact CG-CD2 4.28Å; F72-L257 HydrophobicContact CZ-CD1 3.84Å; V253-L257 HydrophobicContact CG1-CD1 4.01Å; V253-L257 HydrophobicContact CG1-CG 4.46Å; V253-L257 WeakPolarHBondContact O-CG 3.22Å; V253-L257 PolarHBondContact O-N 3.28Å; L254-L257 PolarHBondContact O-N 3.15Å; S255-L257 PolarHBondContact O-N 2.85Å; L257-A259 PolarHBondContact O-N 3.33Å; L257-H260 CarbonylContact O-C 3.54Å; L257-H260 PolarHBondContact O-N 2.73Å; L257-H260 VanDerWaalsContact O-N 3.14Å; L257-G261 PolarHBondContact O-N 2.97Å; L257-K262 HydrophobicContact CB-CB 4.2Å; L257-K262 HydrophobicContact CB-CG 4.49Å; L257-K262 HydrophobicContact CD2-CG 4.3Å; L257-K262 WeakPolarHBondContact O-CB 3.38Å; L257-K262 WeakPolarHBondContact O-CG 3.06Å; L257-K262 PolarHBondContact O-N 2.64Å; L257-K262 VanDerWaalsContact O-N 3.08Å; L257-L264 HydrophobicContact CB-CD2 3.84Å; L257-L264 HydrophobicContact CD1-CD2 4.01Å
258	V	97.5	Very high	97.3	Very high	47 Å²	47	36 Å²	36	29%	0.285	21%	0.211	S	C	.	.	H	α-helix	trans	-61.3	-43.5	176.6	174.4	0	0	0	0	111.3	L254 S255 H260 G261 L264 L290	L254-V258 WeakPolarHBondContact O-CG2 3.32Å; L254-V258 PolarHBondContact O-N 2.94Å; S255-V258 PolarHBondContact O-N 3Å; V258-H260 PolarHBondContact O-N 3.38Å; V258-H260 VanDerWaalsContact O-N 3.16Å; V258-G261 PolarHBondContact O-N 2.98Å; V258-L264 HydrophobicContact CG2-CD1 3.58Å; V258-L264 HydrophobicContact CG2-CG 3.99Å; V258-L290 HydrophobicContact CG2-CB 4.31Å; V258-L290 HydrophobicContact CG2-CD2 4.16Å
259	A	97.7	Very high	97.3	Very high	81 Å²	81	33.6 Å²	33.6	67%	0.669	20%	0.197	S	C	*	.	H	α-helix	trans	-60.9	-24.5	178	0	0	0	0	0	113.3	S255 R256 L257	S255-A259 VanDerWaalsContact O-CB 3.28Å; S255-A259 WeakPolarHBondContact O-CB 3.38Å; S255-A259 PolarHBondContact O-N 2.68Å; R256-A259 PolarHBondContact O-N 2.92Å; L257-A259 PolarHBondContact O-N 3.33Å
260	H	97.6	Very high	97.3	Very high	101 Å²	101	32.6 Å²	32.6	47%	0.468	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	19	175.1	-67.8	81.4	0	0	0	113	R256 L257 V258 K262 V481	R256-H260 PolarHBondContact O-N 2.88Å; R256-H260 PolarHBondContact O-ND1 3.4Å; L257-H260 CarbonylContact O-C 3.54Å; L257-H260 PolarHBondContact O-N 2.73Å; L257-H260 VanDerWaalsContact O-N 3.14Å; V258-H260 PolarHBondContact O-N 3.38Å; V258-H260 VanDerWaalsContact O-N 3.16Å; H260-K262 VanDerWaalsContact C-N 3.29Å; H260-K262 PolarHBondContact O-N 3.06Å; H260-V481 HydrophobicContact CB-CG1 4.42Å; H260-V481 HydrophobicContact CB-CG2 4.23Å; H260-V481 WeakPolarHBondContact CD2-CG2 3.19Å
261	G	97.3	Very high	97.1	Very high	66 Å²	66	33.7 Å²	33.7	68%	0.68	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.5	19	173.4	0	0	0	0	0	114.6	L257 V258	L257-G261 PolarHBondContact O-N 2.97Å; V258-G261 PolarHBondContact O-N 2.98Å
262	K	97.9	Very high	97	Very high	31 Å²	31	30.3 Å²	30.3	14%	0.135	19%	0.185	C	C	.	.			trans	-80.8	143.2	175.8	-53.3	-57	-173.6	173.4	0	110.4	R65 V67 Y70 L257 H260	R65-K262 PolarHBondContact O-NZ 3.4Å; V67-K262 WeakPolarHBondContact O-CD 3.35Å; V67-K262 VanDerWaalsContact O-CE 3.31Å; V67-K262 WeakPolarHBondContact O-CE 3.47Å; V67-K262 PolarHBondContact O-NZ 2.76Å; Y70-K262 HydrophobicContact CD2-CB 3.88Å; Y70-K262 HydrophobicContact CD2-CG 4.17Å; Y70-K262 HydrophobicContact CE2-CB 4.07Å; Y70-K262 HydrophobicContact CE2-CD 3.98Å; Y70-K262 HydrophobicContact CE2-CG 3.82Å; L257-K262 HydrophobicContact CB-CB 4.2Å; L257-K262 HydrophobicContact CB-CG 4.49Å; L257-K262 HydrophobicContact CD2-CG 4.3Å; L257-K262 WeakPolarHBondContact O-CB 3.38Å; L257-K262 WeakPolarHBondContact O-CG 3.06Å; L257-K262 PolarHBondContact O-N 2.64Å; L257-K262 VanDerWaalsContact O-N 3.08Å; H260-K262 VanDerWaalsContact C-N 3.29Å; H260-K262 PolarHBondContact O-N 3.06Å
263	Q	98.1	Very high	96.8	Very high	73 Å²	73	32.8 Å²	32.8	34%	0.341	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	140.2	175.4	-60.4	-169.7	-82.1	0	0	110.4	E68 V69 Y70 D292 W348	E68-Q263 PolarHBondContact O-N 2.79Å; V69-Q263 CarbonylContact C-O 3.58Å; V69-Q263 WeakPolarHBondContact CA-O 3.37Å; V69-Q263 HydrophobicContact CG1-CB 4.26Å; V69-Q263 HydrophobicContact CG2-CB 4.33Å; Y70-Q263 PolarHBondContact N-O 3.06Å; Q263-D292 WeakPolarHBondContact CA-OD2 3.47Å; Q263-D292 WeakPolarHBondContact CB-OD2 3.4Å; Q263-W348 HydrophobicContact CB-CZ2 3.94Å
264	L	98.3	Very high	96.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	142.9	-176	-48.7	-171.2	0	0	0	112.1	Y70 F72 L254 L257 V258 L290 F291 D292 V293	Y70-L264 HydrophobicContact CG-CD2 4.5Å; Y70-L264 CarbonylContact O-C 3.54Å; Y70-L264 VanDerWaalsContact O-CA 3.29Å; Y70-L264 WeakPolarHBondContact O-CA 3.48Å; F72-L264 HydrophobicContact CE2-CD2 4.17Å; L254-L264 HydrophobicContact CB-CD1 4.29Å; L254-L264 HydrophobicContact CD2-CD1 3.89Å; L257-L264 HydrophobicContact CB-CD2 3.84Å; L257-L264 HydrophobicContact CD1-CD2 4.01Å; V258-L264 HydrophobicContact CG2-CD1 3.58Å; V258-L264 HydrophobicContact CG2-CG 3.99Å; L264-L290 HydrophobicContact CD1-CB 4.47Å; L264-F291 HydrophobicContact CB-CD1 3.85Å; L264-F291 HydrophobicContact CB-CE1 4.23Å; L264-F291 HydrophobicContact CB-CG 4.47Å; L264-D292 PolarHBondContact N-OD2 3.32Å; L264-D292 WeakPolarHBondContact O-CB 3.34Å; L264-D292 PolarHBondContact O-N 3.02Å; L264-V293 PolarHBondContact O-N 2.99Å
265	F	98.2	Very high	96.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	153.5	168.4	68.4	-87.4	0	0	0	113.7	V69 Y70 G71 F72 I267 V293 F342 W348 V353 Y355 W373	V69-F265 HydrophobicContact CG1-CD1 3.6Å; V69-F265 HydrophobicContact CG1-CE1 3.62Å; Y70-F265 PolarHBondContact O-N 3.23Å; G71-F265 CarbonylContact C-O 3.53Å; G71-F265 WeakPolarHBondContact CA-O 3.17Å; F72-F265 PolarHBondContact N-O 3.2Å; F265-I267 HydrophobicContact CD2-CD1 3.88Å; F265-I267 HydrophobicContact CD2-CG1 3.88Å; F265-I267 HydrophobicContact CE2-CD1 3.63Å; F265-I267 HydrophobicContact CE2-CG1 4.09Å; F265-V293 CarbonylContact C-O 3.18Å; F265-V293 WeakPolarHBondContact CA-O 3.32Å; F265-V293 HydrophobicContact CB-CB 3.96Å; F265-V293 WeakPolarHBondContact CB-O 3.39Å; F265-F342 HydrophobicContact CB-CZ 4.42Å; F265-F342 HydrophobicContact CD1-CZ 4.19Å; F265-F342 HydrophobicContact CD2-CE2 4.32Å; F265-F342 AromaticContact CD2-CZ 3.75Å; F265-F342 HydrophobicContact CD2-CZ 3.75Å; F265-F342 HydrophobicContact CE1-CZ 4.37Å; F265-F342 HydrophobicContact CE2-CE1 4.42Å; F265-F342 AromaticContact CE2-CZ 3.95Å; F265-F342 HydrophobicContact CE2-CZ 3.95Å; F265-F342 AromaticContact CG-CZ 3.87Å; F265-F342 HydrophobicContact CG-CZ 3.87Å; F265-F342 HydrophobicContact CZ-CE1 4.44Å; F265-F342 HydrophobicContact CZ-CZ 4.25Å; F265-W348 HydrophobicContact CB-CH2 4.19Å; F265-W348 HydrophobicContact CB-CZ3 3.73Å; F265-W348 AromaticContact CD1-CE3 3.81Å; F265-W348 HydrophobicContact CD1-CE3 3.81Å; F265-W348 HydrophobicContact CD1-CH2 4.21Å; F265-W348 AromaticContact CD1-CZ3 3.38Å; F265-W348 HydrophobicContact CD1-CZ3 3.38Å; F265-W348 HydrophobicContact CE1-CE3 4.14Å; F265-W348 HydrophobicContact CE1-CZ3 4.17Å; F265-W348 HydrophobicContact CG-CE3 4.45Å; F265-W348 AromaticContact CG-CZ3 3.74Å; F265-W348 HydrophobicContact CG-CZ3 3.74Å; F265-V353 HydrophobicContact CE1-CG1 3.82Å; F265-V353 HydrophobicContact CZ-CG1 3.97Å; F265-Y355 AromaticContact CE2-CD2 3.64Å; F265-Y355 HydrophobicContact CE2-CD2 3.64Å; F265-Y355 AromaticContact CE2-CE2 3.94Å; F265-Y355 HydrophobicContact CE2-CE2 3.94Å; F265-Y355 AromaticContact CZ-CD2 3.85Å; F265-Y355 HydrophobicContact CZ-CD2 3.85Å; F265-W373 HydrophobicContact CE2-CH2 4.1Å; F265-W373 AromaticContact CE2-CZ3 3.99Å; F265-W373 HydrophobicContact CE2-CZ3 3.99Å; F265-W373 HydrophobicContact CZ-CE3 4.41Å; F265-W373 AromaticContact CZ-CH2 3.64Å; F265-W373 HydrophobicContact CZ-CH2 3.64Å; F265-W373 AromaticContact CZ-CZ3 3.5Å; F265-W373 HydrophobicContact CZ-CZ3 3.5Å
266	L	98.1	Very high	96.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	129.9	179.8	178.8	58.7	0	0	0	109.9	F72 L78 T268 V275 W287 F291 V293 V294 I295	F72-L266 HydrophobicContact CB-CD1 4.39Å; F72-L266 WeakPolarHBondContact O-CA 3.47Å; F72-L266 VanDerWaalsContact O-CD1 3.29Å; F72-L266 WeakPolarHBondContact O-CD1 3.29Å; L78-L266 HydrophobicContact CD1-CD1 3.8Å; L266-T268 HydrophobicContact CG-CG2 4.5Å; L266-V275 HydrophobicContact CD2-CG1 3.88Å; L266-W287 HydrophobicContact CD2-CZ3 4.28Å; L266-F291 HydrophobicContact CB-CD1 3.98Å; L266-F291 HydrophobicContact CB-CE1 3.99Å; L266-V293 PolarHBondContact N-O 3.43Å; L266-V294 HydrophobicContact CB-CG1 4.3Å; L266-V294 HydrophobicContact CB-CG2 4.47Å; L266-V294 HydrophobicContact CD2-CG1 4.1Å; L266-V294 HydrophobicContact CG-CG1 4.47Å; L266-I295 PolarHBondContact O-N 3.19Å
267	I	97.1	Very high	96.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	109.6	173.6	-58.2	175.2	0	0	0	109.1	F72 D73 F265 I295 A298 K300 F303 F304 Y355	F72-I267 PolarHBondContact O-N 3.3Å; D73-I267 VanDerWaalsContact OD1-O 3.12Å; F265-I267 HydrophobicContact CD2-CD1 3.88Å; F265-I267 HydrophobicContact CD2-CG1 3.88Å; F265-I267 HydrophobicContact CE2-CD1 3.63Å; F265-I267 HydrophobicContact CE2-CG1 4.09Å; I267-I295 WeakPolarHBondContact CA-O 3.43Å; I267-I295 HydrophobicContact CD1-CD1 4.44Å; I267-I295 HydrophobicContact CG1-CB 4.34Å; I267-I295 HydrophobicContact CG1-CD1 4.07Å; I267-A298 HydrophobicContact CG2-CB 3.54Å; I267-K300 HydrophobicContact CG2-CD 4.04Å; I267-K300 HydrophobicContact CG2-CG 4.31Å; I267-K300 PolarHBondContact O-NZ 3.22Å; I267-F303 HydrophobicContact CD1-CD1 4.45Å; I267-F303 HydrophobicContact CD1-CE1 3.68Å; I267-F303 HydrophobicContact CD1-CZ 4.07Å; I267-F303 HydrophobicContact CG2-CD1 4.25Å; I267-F303 HydrophobicContact CG2-CE1 4.3Å; I267-F304 HydrophobicContact CD1-CE1 4.38Å; I267-Y355 HydrophobicContact CB-CE2 4.3Å; I267-Y355 HydrophobicContact CD1-CE2 4.3Å; I267-Y355 PolarHBondContact O-OH 2.8Å
268	T	96.1	Very high	96.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.202	C	C	.	.			trans	-132.5	152.2	-177.6	178.7	0	0	0	0	112.7	Y74 L266 S270 V275 I295 V296 Q297 A298	Y74-T268 WeakPolarHBondContact CB-OG1 3.46Å; L266-T268 HydrophobicContact CG-CG2 4.5Å; T268-S270 VanDerWaalsContact C-N 3.32Å; T268-S270 WeakPolarHBondContact OG1-CB 3.27Å; T268-S270 PolarHBondContact OG1-N 2.94Å; T268-V275 HydrophobicContact CG2-CG2 3.78Å; T268-I295 PolarHBondContact N-O 2.86Å; T268-V296 HydrophobicContact CG2-CG1 4.19Å; T268-V296 CarbonylContact O-C 3.55Å; T268-Q297 PolarHBondContact O-N 3.08Å; T268-A298 WeakPolarHBondContact O-CB 3.29Å; T268-A298 PolarHBondContact O-N 2.77Å
269	N	93.9	Very high	96.2	Very high	70 Å²	70	31.1 Å²	31.1	37%	0.374	19%	0.188	S	C	.	.	S	Bend	trans	-80.2	-16	168.9	-78.6	-13.9	0	0	0	112.7	Q297 D299 K300	N269-Q297 WeakPolarHBondContact O-CA 3.47Å; N269-D299 VanDerWaalsContact OD1-CA 3.3Å; N269-D299 WeakPolarHBondContact OD1-CA 3.27Å; N269-D299 PolarHBondContact OD1-N 2.87Å; N269-K300 PolarHBondContact ND2-O 2.89Å; N269-K300 PolarHBondContact OD1-N 2.91Å
270	S	93.9	Very high	96.1	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.014	18%	0.179	C	C	.	.	S	Bend	trans	-67.7	149.5	-179.5	-81.2	0	0	0	0	112.7	D75 T268 V296 Q297	D75-S270 WeakPolarHBondContact OD2-CB 3.21Å; D75-S270 PolarHBondContact OD2-OG 3.23Å; T268-S270 VanDerWaalsContact C-N 3.32Å; T268-S270 WeakPolarHBondContact OG1-CB 3.27Å; T268-S270 PolarHBondContact OG1-N 2.94Å; S270-V296 WeakPolarHBondContact O-CB 3.38Å; S270-Q297 PolarHBondContact O-N 3.46Å; S270-Q297 VanDerWaalsContact O-N 3.16Å
271	P	93.5	Very high	96	Very high	27 Å²	27	32.8 Å²	32.8	18%	0.175	18%	0.177	C	C	.	.			trans	-70.7	149.9	176	29.8	-33.3	0	0	0	111.4	Y233 S273 F274 V275 Q297	Y233-P271 HydrophobicContact CD2-CG 4.36Å; Y233-P271 HydrophobicContact CE2-CG 4.09Å; P271-S273 VanDerWaalsContact C-N 3.29Å; P271-S273 PolarHBondContact O-N 2.78Å; P271-F274 HydrophobicContact CG-CB 3.98Å; P271-F274 PolarHBondContact O-N 2.71Å; P271-F274 VanDerWaalsContact O-N 3.16Å; P271-V275 WeakPolarHBondContact O-CG2 3.39Å; P271-V275 PolarHBondContact O-N 2.82Å; P271-V275 VanDerWaalsContact O-N 3.16Å; P271-Q297 HydrophobicContact CB-CG 4.43Å
272	F	94.1	Very high	96	Very high	17 Å²	17	30 Å²	30	8%	0.075	15%	0.146	C	C	.	.	H	α-helix	trans	-57.1	-39	-178.9	171.6	-119.7	0	0	0	113.8	F274 V275 D276 W287 R288 V296 L314 I333	F272-F274 PolarHBondContact O-N 3.25Å; F272-V275 PolarHBondContact O-N 2.88Å; F272-D276 HydrophobicContact CD2-CB 4.23Å; F272-D276 HydrophobicContact CE2-CB 3.86Å; F272-D276 HydrophobicContact CZ-CB 4.16Å; F272-D276 VanDerWaalsContact O-CB 3.28Å; F272-D276 WeakPolarHBondContact O-CB 3.44Å; F272-D276 PolarHBondContact O-N 3.29Å; F272-W287 HydrophobicContact CE2-CZ2 4.38Å; F272-R288 VanDerWaalsContact CZ-NH2 3.26Å; F272-V296 HydrophobicContact CB-CB 4.41Å; F272-V296 HydrophobicContact CB-CG1 4.1Å; F272-V296 HydrophobicContact CB-CG2 3.98Å; F272-L314 HydrophobicContact CB-CD1 3.86Å; F272-L314 HydrophobicContact CD1-CD1 4.33Å; F272-L314 HydrophobicContact CG-CD1 4.19Å; F272-I333 HydrophobicContact CD2-CB 4.47Å; F272-I333 HydrophobicContact CD2-CD1 4.36Å; F272-I333 HydrophobicContact CD2-CG1 4.07Å; F272-I333 HydrophobicContact CD2-CG2 3.79Å; F272-I333 HydrophobicContact CE2-CB 4.38Å; F272-I333 HydrophobicContact CE2-CD1 3.85Å; F272-I333 HydrophobicContact CE2-CG1 3.54Å; F272-I333 HydrophobicContact CE2-CG2 4.18Å; F272-I333 HydrophobicContact CG-CG2 4.24Å; F272-I333 HydrophobicContact CZ-CG1 3.95Å
273	S	92.9	Very high	95.9	Very high	73 Å²	73	29.4 Å²	29.4	51%	0.51	15%	0.145	S	C	.	.	H	α-helix	trans	-58	-37	-179.8	53.5	0	0	0	0	112.9	P271 K277	P271-S273 VanDerWaalsContact C-N 3.29Å; P271-S273 PolarHBondContact O-N 2.78Å; S273-K277 WeakPolarHBondContact O-CG 3.26Å
274	F	94.6	Very high	95.8	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.009	14%	0.137	C	C	.	.	H	α-helix	trans	-76.7	-48.4	178.8	176.8	-114.8	0	0	0	111.1	Y74 Y81 Y233 I236 E237 P271 F272 D276 K277 G278	Y74-F274 HydrophobicContact CD1-CE1 4.34Å; Y74-F274 HydrophobicContact CE1-CD1 4.01Å; Y74-F274 AromaticContact CE1-CE1 3.67Å; Y74-F274 HydrophobicContact CE1-CE1 3.67Å; Y74-F274 HydrophobicContact CE1-CZ 4.45Å; Y81-F274 HydrophobicContact CE1-CZ 4.33Å; Y81-F274 VanDerWaalsContact OH-CE1 3.23Å; Y81-F274 WeakPolarHBondContact OH-CE1 3.29Å; Y81-F274 VanDerWaalsContact OH-CZ 3.28Å; Y81-F274 WeakPolarHBondContact OH-CZ 3.47Å; Y233-F274 HydrophobicContact CD1-CB 4.24Å; Y233-F274 AromaticContact CD1-CD1 3.41Å; Y233-F274 HydrophobicContact CD1-CD1 3.41Å; Y233-F274 VanDerWaalsContact CD1-CD1 3.41Å; Y233-F274 AromaticContact CD1-CD2 3.63Å; Y233-F274 HydrophobicContact CD1-CD2 3.63Å; Y233-F274 AromaticContact CD1-CE1 3.49Å; Y233-F274 HydrophobicContact CD1-CE1 3.49Å; Y233-F274 VanDerWaalsContact CD1-CE1 3.49Å; Y233-F274 AromaticContact CD1-CE2 3.74Å; Y233-F274 HydrophobicContact CD1-CE2 3.74Å; Y233-F274 AromaticContact CD1-CG 3.47Å; Y233-F274 HydrophobicContact CD1-CG 3.47Å; Y233-F274 VanDerWaalsContact CD1-CG 3.47Å; Y233-F274 AromaticContact CD1-CZ 3.67Å; Y233-F274 HydrophobicContact CD1-CZ 3.67Å; Y233-F274 AromaticContact CE1-CD1 3.6Å; Y233-F274 HydrophobicContact CE1-CD1 3.6Å; Y233-F274 AromaticContact CE1-CE1 3.7Å; Y233-F274 HydrophobicContact CE1-CE1 3.7Å; Y233-F274 HydrophobicContact CE1-CG 4.08Å; Y233-F274 HydrophobicContact CE1-CZ 4.29Å; Y233-F274 HydrophobicContact CG-CB 4.38Å; Y233-F274 HydrophobicContact CG-CD1 4.33Å; Y233-F274 AromaticContact CG-CD2 3.99Å; Y233-F274 HydrophobicContact CG-CD2 3.99Å; Y233-F274 HydrophobicContact CG-CE2 4.37Å; Y233-F274 AromaticContact CG-CG 3.97Å; Y233-F274 HydrophobicContact CG-CG 3.97Å; I236-F274 HydrophobicContact CB-CE2 4Å; I236-F274 HydrophobicContact CB-CZ 4.37Å; I236-F274 HydrophobicContact CD1-CE2 4.27Å; I236-F274 HydrophobicContact CD1-CZ 3.87Å; I236-F274 HydrophobicContact CG2-CE2 3.84Å; I236-F274 HydrophobicContact CG2-CZ 4.09Å; E237-F274 HydrophobicContact CG-CD2 4.02Å; E237-F274 HydrophobicContact CG-CE2 4.39Å; P271-F274 HydrophobicContact CG-CB 3.98Å; P271-F274 PolarHBondContact O-N 2.71Å; P271-F274 VanDerWaalsContact O-N 3.16Å; F272-F274 PolarHBondContact O-N 3.25Å; F274-D276 VanDerWaalsContact C-N 3.34Å; F274-D276 PolarHBondContact O-N 3.34Å; F274-K277 PolarHBondContact O-N 3.1Å; F274-G278 PolarHBondContact O-N 3.4Å; F274-G278 VanDerWaalsContact O-N 3.07Å
275	V	95.6	Very high	95.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59	-44.8	178.5	176.2	0	0	0	0	111.1	Y74 L266 T268 P271 F272 K277 G278 M279 W287	Y74-V275 HydrophobicContact CD1-CG2 4.03Å; Y74-V275 HydrophobicContact CD2-CG1 4.06Å; Y74-V275 HydrophobicContact CE1-CG2 4.28Å; Y74-V275 HydrophobicContact CE2-CG1 4.13Å; Y74-V275 HydrophobicContact CG-CG1 4.47Å; Y74-V275 HydrophobicContact CG-CG2 4.18Å; L266-V275 HydrophobicContact CD2-CG1 3.88Å; T268-V275 HydrophobicContact CG2-CG2 3.78Å; P271-V275 WeakPolarHBondContact O-CG2 3.39Å; P271-V275 PolarHBondContact O-N 2.82Å; P271-V275 VanDerWaalsContact O-N 3.16Å; F272-V275 PolarHBondContact O-N 2.88Å; V275-K277 VanDerWaalsContact C-N 3.32Å; V275-K277 PolarHBondContact O-N 2.93Å; V275-G278 PolarHBondContact O-N 3.38Å; V275-M279 HydrophobicContact CG1-CG 3.96Å; V275-M279 VanDerWaalsContact O-CB 3.23Å; V275-M279 WeakPolarHBondContact O-CB 3.26Å; V275-M279 WeakPolarHBondContact O-CG 3.47Å; V275-M279 PolarHBondContact O-N 3.28Å; V275-W287 HydrophobicContact CG1-CH2 4.04Å; V275-W287 HydrophobicContact CG1-CZ2 4.41Å
276	D	95.3	Very high	95.3	Very high	16 Å²	16	37 Å²	37	9%	0.086	20%	0.198	C	C	.	.	H	α-helix	trans	-62.6	-39.6	-179.3	-169.5	56	0	0	0	111.8	F272 F274 R280 W287 R288	F272-D276 HydrophobicContact CD2-CB 4.23Å; F272-D276 HydrophobicContact CE2-CB 3.86Å; F272-D276 HydrophobicContact CZ-CB 4.16Å; F272-D276 VanDerWaalsContact O-CB 3.28Å; F272-D276 WeakPolarHBondContact O-CB 3.44Å; F272-D276 PolarHBondContact O-N 3.29Å; F274-D276 VanDerWaalsContact C-N 3.34Å; F274-D276 PolarHBondContact O-N 3.34Å; D276-R280 VanDerWaalsContact O-CB 3.31Å; D276-R280 WeakPolarHBondContact O-CB 3.19Å; D276-R280 WeakPolarHBondContact O-CD 3.4Å; D276-R280 WeakPolarHBondContact O-CG 3.46Å; D276-R280 PolarHBondContact O-N 2.78Å; D276-R280 IonicContact OD1-NE 3.2Å; D276-R280 PolarHBondContact OD1-NE 3.4Å; D276-R280 IonicContact OD1-NH2 3.97Å; D276-R280 IonicContact OD2-CZ 3.59Å; D276-R280 IonicContact OD2-NE 3.63Å; D276-R280 PolarHBondContact OD2-NE 3.11Å; D276-R280 IonicContact OD2-NH2 2.87Å; D276-R280 PolarHBondContact OD2-NH2 2.95Å; D276-W287 HydrophobicContact CB-CZ2 4.41Å; D276-W287 PolarHBondContact OD1-NE1 2.95Å; D276-R288 IonicContact OD1-CZ 3.13Å; D276-R288 IonicContact OD1-NE 3.68Å; D276-R288 PolarHBondContact OD1-NE 2.78Å; D276-R288 IonicContact OD1-NH2 4Å; D276-R288 PolarHBondContact OD1-NH2 2.9Å; D276-R288 IonicContact OD2-NH2 2.73Å; D276-R288 PolarHBondContact OD2-NH2 3.11Å; D276-R288 VanDerWaalsContact OD2-NH2 3.11Å
277	K	95.5	Very high	95.2	Very high	92 Å²	92	37 Å²	37	40%	0.4	20%	0.198	S	C	.	.	H	α-helix	trans	-66.1	-51.5	177.6	-80.2	179.4	-174.3	-177.6	0	112.1	E237 M240 S273 F274 V275 R280 H281	E237-K277 VanDerWaalsContact CD-CD 3.49Å; E237-K277 HydrophobicContact CG-CD 3.78Å; E237-K277 WeakPolarHBondContact OE1-CD 3.17Å; E237-K277 IonicContact OE1-NZ 2.93Å; E237-K277 IonicContact OE2-NZ 3.8Å; E237-K277 PolarHBondContact OE2-NZ 3.11Å; M240-K277 HydrophobicContact CE-CB 3.64Å; M240-K277 HydrophobicContact CE-CD 4.15Å; M240-K277 HydrophobicContact CE-CG 4.3Å; S273-K277 WeakPolarHBondContact O-CG 3.26Å; F274-K277 PolarHBondContact O-N 3.1Å; V275-K277 VanDerWaalsContact C-N 3.32Å; V275-K277 PolarHBondContact O-N 2.93Å; K277-R280 PolarHBondContact O-N 2.95Å; K277-H281 PolarHBondContact O-N 3.34Å
278	G	96.4	Very high	95.1	Very high	2 Å²	2	39.1 Å²	39.1	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-68.4	-36.9	-179.5	0	0	0	0	0	112.8	Y74 F274 V275 H281 M282	Y74-G278 VanDerWaalsContact OH-CA 3.29Å; Y74-G278 WeakPolarHBondContact OH-CA 3.09Å; F274-G278 PolarHBondContact O-N 3.4Å; F274-G278 VanDerWaalsContact O-N 3.07Å; V275-G278 PolarHBondContact O-N 3.38Å; G278-H281 WeakPolarHBondContact O-CB 3.2Å; G278-H281 PolarHBondContact O-N 3.44Å; G278-M282 WeakPolarHBondContact O-CG 3.05Å; G278-M282 PolarHBondContact O-N 3.12Å
279	M	96.9	Very high	95.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.9	-37.9	172.8	-69.9	-61.8	-68.4	0	0	112.3	Y74 L78 L254 V275 H281 M282 V283 G284 W287 F291	Y74-M279 HydrophobicContact CD2-CG 4.39Å; Y74-M279 HydrophobicContact CD2-SD 4.11Å; Y74-M279 HydrophobicContact CE2-CG 3.76Å; Y74-M279 HydrophobicContact CE2-SD 3.68Å; L78-M279 HydrophobicContact CD1-SD 4.29Å; L254-M279 HydrophobicContact CD1-CE 4.19Å; V275-M279 HydrophobicContact CG1-CG 3.96Å; V275-M279 VanDerWaalsContact O-CB 3.23Å; V275-M279 WeakPolarHBondContact O-CB 3.26Å; V275-M279 WeakPolarHBondContact O-CG 3.47Å; V275-M279 PolarHBondContact O-N 3.28Å; M279-H281 VanDerWaalsContact C-N 3.27Å; M279-H281 PolarHBondContact O-N 2.91Å; M279-M282 PolarHBondContact O-N 3.5Å; M279-M282 HydrophobicContact SD-CE 3.75Å; M279-V283 HydrophobicContact CE-CB 4.43Å; M279-V283 HydrophobicContact CE-CG2 3.76Å; M279-V283 WeakPolarHBondContact O-CA 3.4Å; M279-V283 VanDerWaalsContact O-CB 3.29Å; M279-V283 WeakPolarHBondContact O-CB 3.3Å; M279-V283 PolarHBondContact O-N 3.44Å; M279-V283 HydrophobicContact SD-CG2 4.48Å; M279-G284 PolarHBondContact O-N 3.44Å; M279-W287 HydrophobicContact CB-CB 4.17Å; M279-W287 HydrophobicContact CB-CD2 3.39Å; M279-W287 HydrophobicContact CB-CE3 3.93Å; M279-W287 HydrophobicContact CB-CG 3.52Å; M279-W287 HydrophobicContact CB-CZ2 4.12Å; M279-W287 HydrophobicContact CB-CZ3 4.47Å; M279-W287 HydrophobicContact CE-CB 4.27Å; M279-W287 HydrophobicContact CE-CD2 4.11Å; M279-W287 HydrophobicContact CE-CE3 3.58Å; M279-W287 HydrophobicContact CE-CG 4.44Å; M279-W287 HydrophobicContact CE-CZ3 4.2Å; M279-W287 HydrophobicContact CG-CD2 3.89Å; M279-W287 HydrophobicContact CG-CE3 3.89Å; M279-W287 HydrophobicContact CG-CG 4.45Å; M279-W287 HydrophobicContact CG-CH2 4.22Å; M279-W287 HydrophobicContact CG-CZ2 4.24Å; M279-W287 HydrophobicContact CG-CZ3 4.06Å; M279-F291 HydrophobicContact CE-CE2 3.51Å; M279-F291 HydrophobicContact CE-CZ 3.91Å
280	R	96.3	Very high	95.2	Very high	126 Å²	126	42.4 Å²	42.4	48%	0.475	22%	0.22	S	C	.	.	H	α-helix	trans	-62.7	-36.1	172.6	-76.2	174.8	-168.5	-147.1	10.9	112.5	D276 K277 G284	D276-R280 VanDerWaalsContact O-CB 3.31Å; D276-R280 WeakPolarHBondContact O-CB 3.19Å; D276-R280 WeakPolarHBondContact O-CD 3.4Å; D276-R280 WeakPolarHBondContact O-CG 3.46Å; D276-R280 PolarHBondContact O-N 2.78Å; D276-R280 IonicContact OD1-NE 3.2Å; D276-R280 PolarHBondContact OD1-NE 3.4Å; D276-R280 IonicContact OD1-NH2 3.97Å; D276-R280 IonicContact OD2-CZ 3.59Å; D276-R280 IonicContact OD2-NE 3.63Å; D276-R280 PolarHBondContact OD2-NE 3.11Å; D276-R280 IonicContact OD2-NH2 2.87Å; D276-R280 PolarHBondContact OD2-NH2 2.95Å; K277-R280 PolarHBondContact O-N 2.95Å; R280-G284 WeakPolarHBondContact CA-O 3.4Å; R280-G284 WeakPolarHBondContact O-CA 3.4Å; R280-G284 PolarHBondContact O-N 3.15Å; R280-G284 VanDerWaalsContact O-N 3.1Å
281	H	96.4	Very high	95.4	Very high	92 Å²	92	42.3 Å²	42.3	43%	0.426	22%	0.219	S	C	.	.	H	α-helix	trans	-68.8	-48.9	176	179.5	75.6	0	0	0	112	M240 K277 G278 M279	M240-H281 HydrophobicContact SD-CB 3.75Å; K277-H281 PolarHBondContact O-N 3.34Å; G278-H281 WeakPolarHBondContact O-CB 3.2Å; G278-H281 PolarHBondContact O-N 3.44Å; M279-H281 VanDerWaalsContact C-N 3.27Å; M279-H281 PolarHBondContact O-N 2.91Å
282	M	96.4	Very high	95.6	Very high	7 Å²	7	42.5 Å²	42.5	3%	0.034	22%	0.218	C	C	.	.	H	α-helix	trans	-76.7	-37.3	-176.9	-65.8	-174.1	-67.8	0	0	114.3	Y74 A79 I244 G278 M279	Y74-M282 HydrophobicContact CE2-CE 3.83Å; A79-M282 HydrophobicContact CB-CE 3.82Å; A79-M282 HydrophobicContact CB-SD 4.06Å; I244-M282 HydrophobicContact CG2-CG 3.62Å; I244-M282 HydrophobicContact CG2-SD 3.51Å; I244-M282 VanDerWaalsContact CG2-SD 3.51Å; G278-M282 WeakPolarHBondContact O-CG 3.05Å; G278-M282 PolarHBondContact O-N 3.12Å; M279-M282 PolarHBondContact O-N 3.5Å; M279-M282 HydrophobicContact SD-CE 3.75Å
283	V	95.9	Very high	95.8	Very high	18 Å²	18	41.9 Å²	41.9	11%	0.109	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119	-28.1	-165.9	178.8	0	0	0	0	111.9	F251 L254 M279 W287 L290	F251-V283 HydrophobicContact CD2-CB 4.15Å; F251-V283 HydrophobicContact CD2-CG1 3.67Å; F251-V283 WeakPolarHBondContact CD2-O 3.31Å; F251-V283 HydrophobicContact CE2-CG1 4.2Å; L254-V283 HydrophobicContact CD1-CG2 4Å; M279-V283 HydrophobicContact CE-CB 4.43Å; M279-V283 HydrophobicContact CE-CG2 3.76Å; M279-V283 WeakPolarHBondContact O-CA 3.4Å; M279-V283 VanDerWaalsContact O-CB 3.29Å; M279-V283 WeakPolarHBondContact O-CB 3.3Å; M279-V283 PolarHBondContact O-N 3.44Å; M279-V283 HydrophobicContact SD-CG2 4.48Å; V283-W287 HydrophobicContact CB-CB 3.81Å; V283-W287 HydrophobicContact CG1-CB 3.54Å; V283-L290 HydrophobicContact CG1-CD1 3.38Å
284	G	95.3	Very high	96	Very high	17 Å²	17	38.4 Å²	38.4	18%	0.175	19%	0.192	C	C	.	.			trans	109	176.9	-178.6	0	0	0	0	0	114.6	M279 R280 D286 W287	M279-G284 PolarHBondContact O-N 3.44Å; R280-G284 WeakPolarHBondContact CA-O 3.4Å; R280-G284 WeakPolarHBondContact O-CA 3.4Å; R280-G284 PolarHBondContact O-N 3.15Å; R280-G284 VanDerWaalsContact O-N 3.1Å; G284-D286 VanDerWaalsContact C-N 3.28Å; G284-D286 PolarHBondContact O-N 3.36Å; G284-W287 WeakPolarHBondContact O-CB 3.32Å; G284-W287 PolarHBondContact O-N 3.28Å
285	P	94.2	Very high	96.1	Very high	98 Å²	98	38.3 Å²	38.3	64%	0.636	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-32.6	-170.1	23.2	-33.5	0	0	0	114.2
286	D	93.3	Very high	96.1	Very high	118 Å²	118	38.3 Å²	38.3	63%	0.631	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	17.1	-175.1	-63.9	-53.5	0	0	0	113.7	G284 R288 Q289	G284-D286 VanDerWaalsContact C-N 3.28Å; G284-D286 PolarHBondContact O-N 3.36Å; D286-R288 PolarHBondContact O-N 3.08Å; D286-Q289 HydrophobicContact CB-CG 4.37Å; D286-Q289 WeakPolarHBondContact O-CB 3.27Å; D286-Q289 PolarHBondContact O-N 2.85Å
287	W	96.3	Very high	96.1	Very high	1 Å²	1	40.7 Å²	40.7	0%	0.004	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-49.3	-33.2	-176.7	73	-95.1	0	0	0	113.8	L266 F272 V275 D276 M279 V283 G284 Q289 L290 F291 V294 I333	L266-W287 HydrophobicContact CD2-CZ3 4.28Å; F272-W287 HydrophobicContact CE2-CZ2 4.38Å; V275-W287 HydrophobicContact CG1-CH2 4.04Å; V275-W287 HydrophobicContact CG1-CZ2 4.41Å; D276-W287 HydrophobicContact CB-CZ2 4.41Å; D276-W287 PolarHBondContact OD1-NE1 2.95Å; M279-W287 HydrophobicContact CB-CB 4.17Å; M279-W287 HydrophobicContact CB-CD2 3.39Å; M279-W287 HydrophobicContact CB-CE3 3.93Å; M279-W287 HydrophobicContact CB-CG 3.52Å; M279-W287 HydrophobicContact CB-CZ2 4.12Å; M279-W287 HydrophobicContact CB-CZ3 4.47Å; M279-W287 HydrophobicContact CE-CB 4.27Å; M279-W287 HydrophobicContact CE-CD2 4.11Å; M279-W287 HydrophobicContact CE-CE3 3.58Å; M279-W287 HydrophobicContact CE-CG 4.44Å; M279-W287 HydrophobicContact CE-CZ3 4.2Å; M279-W287 HydrophobicContact CG-CD2 3.89Å; M279-W287 HydrophobicContact CG-CE3 3.89Å; M279-W287 HydrophobicContact CG-CG 4.45Å; M279-W287 HydrophobicContact CG-CH2 4.22Å; M279-W287 HydrophobicContact CG-CZ2 4.24Å; M279-W287 HydrophobicContact CG-CZ3 4.06Å; V283-W287 HydrophobicContact CB-CB 3.81Å; V283-W287 HydrophobicContact CG1-CB 3.54Å; G284-W287 WeakPolarHBondContact O-CB 3.32Å; G284-W287 PolarHBondContact O-N 3.28Å; W287-Q289 PolarHBondContact O-N 3.42Å; W287-L290 WeakPolarHBondContact O-CB 3.5Å; W287-L290 PolarHBondContact O-N 3.18Å; W287-F291 AromaticContact CE3-CD2 3.81Å; W287-F291 HydrophobicContact CE3-CD2 3.81Å; W287-F291 AromaticContact CE3-CE2 3.91Å; W287-F291 HydrophobicContact CE3-CE2 3.91Å; W287-F291 HydrophobicContact CZ3-CD2 4Å; W287-F291 HydrophobicContact CZ3-CE2 4.25Å; W287-F291 WeakPolarHBondContact O-CD2 3.49Å; W287-V294 HydrophobicContact CH2-CG1 4.09Å; W287-V294 HydrophobicContact CH2-CG2 4.32Å; W287-V294 HydrophobicContact CZ3-CG1 4.4Å; W287-V294 HydrophobicContact CZ3-CG2 3.97Å; W287-I333 HydrophobicContact CH2-CD1 4.33Å
288	R	94.6	Very high	96	Very high	43 Å²	43	36.3 Å²	36.3	16%	0.162	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-60	-27.2	179.8	-58.8	-178.7	-165.2	169.5	9.3	112.7	F272 D276 D286 L290 F291 I333	F272-R288 VanDerWaalsContact CZ-NH2 3.26Å; D276-R288 IonicContact OD1-CZ 3.13Å; D276-R288 IonicContact OD1-NE 3.68Å; D276-R288 PolarHBondContact OD1-NE 2.78Å; D276-R288 IonicContact OD1-NH2 4Å; D276-R288 PolarHBondContact OD1-NH2 2.9Å; D276-R288 IonicContact OD2-NH2 2.73Å; D276-R288 PolarHBondContact OD2-NH2 3.11Å; D276-R288 VanDerWaalsContact OD2-NH2 3.11Å; D286-R288 PolarHBondContact O-N 3.08Å; R288-L290 PolarHBondContact O-N 3.48Å; R288-F291 PolarHBondContact O-N 2.91Å; R288-I333 HydrophobicContact CG-CD1 4.4Å
289	Q	94.9	Very high	95.7	Very high	112 Å²	112	39.3 Å²	39.3	52%	0.523	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-73	-16.7	179	-57	-58.3	-17.6	0	0	112.9	D286 W287 F291 K330	D286-Q289 HydrophobicContact CB-CG 4.37Å; D286-Q289 WeakPolarHBondContact O-CB 3.27Å; D286-Q289 PolarHBondContact O-N 2.85Å; W287-Q289 PolarHBondContact O-N 3.42Å; Q289-F291 VanDerWaalsContact C-N 3.3Å; Q289-K330 WeakPolarHBondContact O-CE 3.44Å; Q289-K330 PolarHBondContact O-NZ 3.34Å
290	L	96.9	Very high	95.4	Very high	28 Å²	28	40 Å²	40	15%	0.147	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-74.1	-24.8	173.4	-57.3	-177.5	0	0	0	112	L254 V258 L264 V283 W287 R288	L254-L290 HydrophobicContact CB-CD1 3.99Å; L254-L290 HydrophobicContact CD1-CD1 4.47Å; V258-L290 HydrophobicContact CG2-CB 4.31Å; V258-L290 HydrophobicContact CG2-CD2 4.16Å; L264-L290 HydrophobicContact CD1-CB 4.47Å; V283-L290 HydrophobicContact CG1-CD1 3.38Å; W287-L290 WeakPolarHBondContact O-CB 3.5Å; W287-L290 PolarHBondContact O-N 3.18Å; R288-L290 PolarHBondContact O-N 3.48Å
291	F	97.7	Very high	95	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.			trans	-106	127.6	-172.9	-65.5	-91	0	0	0	112.5	F72 L78 L254 L264 L266 M279 W287 R288 Q289 V294 G331	F72-F291 HydrophobicContact CD2-CE1 4.09Å; L78-F291 HydrophobicContact CD1-CE1 4.5Å; L78-F291 HydrophobicContact CD1-CZ 4.05Å; L254-F291 HydrophobicContact CD1-CE2 4.17Å; L254-F291 HydrophobicContact CD1-CZ 3.9Å; L254-F291 HydrophobicContact CD2-CE1 4.38Å; L254-F291 HydrophobicContact CD2-CZ 3.9Å; L264-F291 HydrophobicContact CB-CD1 3.85Å; L264-F291 HydrophobicContact CB-CE1 4.23Å; L264-F291 HydrophobicContact CB-CG 4.47Å; L266-F291 HydrophobicContact CB-CD1 3.98Å; L266-F291 HydrophobicContact CB-CE1 3.99Å; M279-F291 HydrophobicContact CE-CE2 3.51Å; M279-F291 HydrophobicContact CE-CZ 3.91Å; W287-F291 AromaticContact CE3-CD2 3.81Å; W287-F291 HydrophobicContact CE3-CD2 3.81Å; W287-F291 AromaticContact CE3-CE2 3.91Å; W287-F291 HydrophobicContact CE3-CE2 3.91Å; W287-F291 HydrophobicContact CZ3-CD2 4Å; W287-F291 HydrophobicContact CZ3-CE2 4.25Å; W287-F291 WeakPolarHBondContact O-CD2 3.49Å; R288-F291 PolarHBondContact O-N 2.91Å; Q289-F291 VanDerWaalsContact C-N 3.3Å; F291-V294 HydrophobicContact CB-CG2 3.56Å; F291-V294 HydrophobicContact CG-CG2 4.08Å; F291-G331 PolarHBondContact O-N 2.68Å
292	D	97.9	Very high	94.6	Very high	30 Å²	30	33.6 Å²	33.6	16%	0.16	19%	0.186	C	C	.	.	S	Bend	trans	-71.4	-33.3	172	-62.3	-83.8	0	0	0	111.4	Q263 L264 K330 W348	Q263-D292 WeakPolarHBondContact CA-OD2 3.47Å; Q263-D292 WeakPolarHBondContact CB-OD2 3.4Å; L264-D292 PolarHBondContact N-OD2 3.32Å; L264-D292 WeakPolarHBondContact O-CB 3.34Å; L264-D292 PolarHBondContact O-N 3.02Å; D292-K330 WeakPolarHBondContact O-CA 3.45Å; D292-K330 IonicContact OD1-NZ 3.63Å; D292-W348 HydrophobicContact CB-CH2 3.86Å; D292-W348 HydrophobicContact CB-CZ2 4.09Å
293	V	97.6	Very high	94.3	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.03	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	131.6	175.7	-176.7	0	0	0	0	111	L264 F265 L266 I295 L328 F342 T346 W348	L264-V293 PolarHBondContact O-N 2.99Å; F265-V293 CarbonylContact C-O 3.18Å; F265-V293 WeakPolarHBondContact CA-O 3.32Å; F265-V293 HydrophobicContact CB-CB 3.96Å; F265-V293 WeakPolarHBondContact CB-O 3.39Å; L266-V293 PolarHBondContact N-O 3.43Å; V293-I295 HydrophobicContact CG1-CD1 3.85Å; V293-I295 HydrophobicContact CG1-CG1 3.88Å; V293-L328 HydrophobicContact CG1-CD1 4.02Å; V293-L328 HydrophobicContact CG2-CB 3.92Å; V293-L328 HydrophobicContact CG2-CD1 4.07Å; V293-F342 HydrophobicContact CB-CE2 4.29Å; V293-F342 HydrophobicContact CG1-CE2 3.94Å; V293-F342 HydrophobicContact CG2-CE2 4.48Å; V293-T346 HydrophobicContact CG2-CG2 4.25Å; V293-W348 HydrophobicContact CG2-CH2 3.9Å; V293-W348 HydrophobicContact CG2-CZ3 4.12Å
294	V	97.6	Very high	93.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122.8	171.3	-179.4	0	0	0	0	110.2	L266 W287 F291 V296 I333 Y334	L266-V294 HydrophobicContact CB-CG1 4.3Å; L266-V294 HydrophobicContact CB-CG2 4.47Å; L266-V294 HydrophobicContact CD2-CG1 4.1Å; L266-V294 HydrophobicContact CG-CG1 4.47Å; W287-V294 HydrophobicContact CH2-CG1 4.09Å; W287-V294 HydrophobicContact CH2-CG2 4.32Å; W287-V294 HydrophobicContact CZ3-CG1 4.4Å; W287-V294 HydrophobicContact CZ3-CG2 3.97Å; F291-V294 HydrophobicContact CB-CG2 3.56Å; F291-V294 HydrophobicContact CG-CG2 4.08Å; V294-V296 HydrophobicContact CG1-CG1 4.33Å; V294-I333 HydrophobicContact CB-CD1 3.67Å; V294-I333 HydrophobicContact CG1-CD1 3.73Å; V294-I333 HydrophobicContact CG1-CG2 4.34Å; V294-I333 HydrophobicContact CG2-CD1 4.06Å; V294-Y334 PolarHBondContact O-N 3.23Å
295	I	97.4	Very high	93.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	117.8	179.8	-61.7	157.2	0	0	0	109.3	L266 I267 T268 V293 A298 F303 F311 Y334 Q336 F342	L266-I295 PolarHBondContact O-N 3.19Å; I267-I295 WeakPolarHBondContact CA-O 3.43Å; I267-I295 HydrophobicContact CD1-CD1 4.44Å; I267-I295 HydrophobicContact CG1-CB 4.34Å; I267-I295 HydrophobicContact CG1-CD1 4.07Å; T268-I295 PolarHBondContact N-O 2.86Å; V293-I295 HydrophobicContact CG1-CD1 3.85Å; V293-I295 HydrophobicContact CG1-CG1 3.88Å; I295-A298 HydrophobicContact CG2-CB 4.02Å; I295-F303 HydrophobicContact CD1-CE2 4.28Å; I295-F303 HydrophobicContact CD1-CZ 3.98Å; I295-F303 HydrophobicContact CG2-CE2 4.14Å; I295-F311 HydrophobicContact CD1-CE1 3.57Å; I295-F311 HydrophobicContact CD1-CZ 4.1Å; I295-F311 HydrophobicContact CG1-CD1 4.49Å; I295-F311 HydrophobicContact CG1-CE1 3.86Å; I295-F311 HydrophobicContact CG2-CE1 4.35Å; I295-Y334 CarbonylContact C-O 3.34Å; I295-Y334 VanDerWaalsContact CA-O 3.3Å; I295-Y334 WeakPolarHBondContact CA-O 3.34Å; I295-Q336 WeakPolarHBondContact CG2-O 3.37Å; I295-F342 HydrophobicContact CD1-CD2 3.65Å; I295-F342 HydrophobicContact CD1-CE2 3.82Å
296	V	96.3	Very high	93	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	157.8	177.5	-61.3	0	0	0	0	111.1	T268 S270 F272 V294 A298 L314 I333 Y334 R335 Q336	T268-V296 HydrophobicContact CG2-CG1 4.19Å; T268-V296 CarbonylContact O-C 3.55Å; S270-V296 WeakPolarHBondContact O-CB 3.38Å; F272-V296 HydrophobicContact CB-CB 4.41Å; F272-V296 HydrophobicContact CB-CG1 4.1Å; F272-V296 HydrophobicContact CB-CG2 3.98Å; V294-V296 HydrophobicContact CG1-CG1 4.33Å; V296-A298 PolarHBondContact O-N 3.42Å; V296-A298 VanDerWaalsContact O-N 3.15Å; V296-L314 HydrophobicContact CG2-CD1 3.85Å; V296-I333 HydrophobicContact CG1-CG2 4.12Å; V296-I333 HydrophobicContact CG2-CG2 4.07Å; V296-Y334 WeakPolarHBondContact CG2-O 3.09Å; V296-Y334 PolarHBondContact N-O 3.42Å; V296-R335 HydrophobicContact CG2-CB 4.23Å; V296-R335 WeakPolarHBondContact O-CA 3.37Å; V296-Q336 PolarHBondContact O-N 3.03Å; V296-Q336 VanDerWaalsContact O-N 3.17Å
297	Q	94.4	Very high	92.7	Very high	66 Å²	66	34 Å²	34	31%	0.308	17%	0.167	S	C	.	.	S	Bend	trans	44.4	47.4	-177.2	-52.6	-178.4	-80.5	0	0	111.9	T268 N269 S270 P271 D299 R335	T268-Q297 PolarHBondContact O-N 3.08Å; N269-Q297 WeakPolarHBondContact O-CA 3.47Å; S270-Q297 PolarHBondContact O-N 3.46Å; S270-Q297 VanDerWaalsContact O-N 3.16Å; P271-Q297 HydrophobicContact CB-CG 4.43Å; Q297-D299 PolarHBondContact O-N 3.36Å; Q297-R335 HydrophobicContact CB-CG 4.28Å; Q297-R335 VanDerWaalsContact OE1-CD 3.28Å; Q297-R335 VanDerWaalsContact OE1-CZ 3.24Å
298	A	93.9	Very high	92.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.203	C	C	.	.			trans	-63.4	-26.4	-174.3	0	0	0	0	0	112.8	I267 T268 I295 V296 K300 F303	I267-A298 HydrophobicContact CG2-CB 3.54Å; T268-A298 WeakPolarHBondContact O-CB 3.29Å; T268-A298 PolarHBondContact O-N 2.77Å; I295-A298 HydrophobicContact CG2-CB 4.02Å; V296-A298 PolarHBondContact O-N 3.42Å; V296-A298 VanDerWaalsContact O-N 3.15Å; A298-K300 HydrophobicContact CB-CG 4.18Å; A298-F303 HydrophobicContact CB-CB 4.27Å; A298-F303 HydrophobicContact CB-CD2 3.93Å; A298-F303 HydrophobicContact CB-CG 4.15Å; A298-F303 WeakPolarHBondContact O-CB 3.31Å
299	D	90.6	Very high	92.1	Very high	65 Å²	65	44.9 Å²	44.9	35%	0.348	21%	0.21	S	C	.	.			trans	66.1	45.9	-173.5	-166.7	59.8	0	0	0	112.4	N269 Q297 S302 F303 K309	N269-D299 VanDerWaalsContact OD1-CA 3.3Å; N269-D299 WeakPolarHBondContact OD1-CA 3.27Å; N269-D299 PolarHBondContact OD1-N 2.87Å; Q297-D299 PolarHBondContact O-N 3.36Å; D299-S302 WeakPolarHBondContact O-CA 3.39Å; D299-S302 WeakPolarHBondContact O-CB 3.46Å; D299-S302 PolarHBondContact O-N 2.84Å; D299-S302 WeakPolarHBondContact OD2-CB 3.5Å; D299-S302 PolarHBondContact OD2-OG 3.35Å; D299-F303 PolarHBondContact O-N 3.08Å; D299-F303 VanDerWaalsContact O-N 3.08Å; D299-K309 VanDerWaalsContact CG-NZ 3.29Å; D299-K309 IonicContact OD1-NZ 3.57Å; D299-K309 IonicContact OD2-NZ 3.74Å; D299-K309 PolarHBondContact OD2-NZ 2.86Å
300	K	90.3	Very high	92	Very high	13 Å²	13	43.2 Å²	43.2	6%	0.057	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	140.2	170.1	-60.5	179.2	-67.9	171.8	0	109.9	D73 I267 N269 A298 F303 F304 D363	D73-K300 IonicContact OD1-NZ 3.44Å; D73-K300 PolarHBondContact OD1-NZ 3.43Å; D73-K300 IonicContact OD2-NZ 3.11Å; D73-K300 PolarHBondContact OD2-NZ 2.8Å; I267-K300 HydrophobicContact CG2-CD 4.04Å; I267-K300 HydrophobicContact CG2-CG 4.31Å; I267-K300 PolarHBondContact O-NZ 3.22Å; N269-K300 PolarHBondContact ND2-O 2.89Å; N269-K300 PolarHBondContact OD1-N 2.91Å; A298-K300 HydrophobicContact CB-CG 4.18Å; K300-F303 HydrophobicContact CG-CB 4.21Å; K300-F304 HydrophobicContact CB-CE2 4.17Å; K300-F304 HydrophobicContact CD-CE2 3.57Å; K300-F304 HydrophobicContact CD-CZ 3.84Å; K300-F304 HydrophobicContact CG-CD2 4.31Å; K300-F304 HydrophobicContact CG-CE2 3.63Å; K300-F304 HydrophobicContact CG-CZ 4.13Å; K300-D363 WeakPolarHBondContact CD-OD1 3.48Å; K300-D363 WeakPolarHBondContact CE-OD1 3.47Å; K300-D363 IonicContact NZ-OD1 3.87Å; K300-D363 PolarHBondContact NZ-OD1 3.37Å
301	P	87.1	Confident	91.9	Very high	46 Å²	46	42.5 Å²	42.5	30%	0.299	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	cis	-83.4	-5.6	3.9	31.3	-34.5	0	0	0	115.4	F303 F304 T305	P301-F303 PolarHBondContact O-N 3.19Å; P301-F304 PolarHBondContact O-N 2.87Å; P301-T305 PolarHBondContact O-N 3.17Å; P301-T305 PolarHBondContact O-OG1 3.01Å; P301-T305 VanDerWaalsContact O-OG1 3.08Å
302	S	88.1	Confident	91.7	Very high	39 Å²	39	46.5 Å²	46.5	27%	0.273	22%	0.219	S	C	.	.	H	α-helix	trans	-57	-34.6	-179.3	-48.6	0	0	0	0	111.8	D299 F304 T305 D306	D299-S302 WeakPolarHBondContact O-CA 3.39Å; D299-S302 WeakPolarHBondContact O-CB 3.46Å; D299-S302 PolarHBondContact O-N 2.84Å; D299-S302 WeakPolarHBondContact OD2-CB 3.5Å; D299-S302 PolarHBondContact OD2-OG 3.35Å; S302-F304 PolarHBondContact O-N 3.2Å; S302-T305 WeakPolarHBondContact CA-OG1 3.18Å; S302-T305 PolarHBondContact O-N 2.95Å; S302-D306 WeakPolarHBondContact O-CA 3.29Å; S302-D306 WeakPolarHBondContact O-CB 3.26Å; S302-D306 PolarHBondContact O-N 2.74Å
303	F	90.8	Very high	91.5	Very high	3 Å²	3	47.4 Å²	47.4	1%	0.013	22%	0.222	C	C	.	.	H	α-helix	trans	-50.4	-41.2	173.6	-175.9	-91.5	0	0	0	113.4	I267 I295 A298 D299 K300 P301 F311 G337 N338 L339 F342	I267-F303 HydrophobicContact CD1-CD1 4.45Å; I267-F303 HydrophobicContact CD1-CE1 3.68Å; I267-F303 HydrophobicContact CD1-CZ 4.07Å; I267-F303 HydrophobicContact CG2-CD1 4.25Å; I267-F303 HydrophobicContact CG2-CE1 4.3Å; I295-F303 HydrophobicContact CD1-CE2 4.28Å; I295-F303 HydrophobicContact CD1-CZ 3.98Å; I295-F303 HydrophobicContact CG2-CE2 4.14Å; A298-F303 HydrophobicContact CB-CB 4.27Å; A298-F303 HydrophobicContact CB-CD2 3.93Å; A298-F303 HydrophobicContact CB-CG 4.15Å; A298-F303 WeakPolarHBondContact O-CB 3.31Å; D299-F303 PolarHBondContact O-N 3.08Å; D299-F303 VanDerWaalsContact O-N 3.08Å; K300-F303 HydrophobicContact CG-CB 4.21Å; P301-F303 PolarHBondContact O-N 3.19Å; F303-F311 AromaticContact CE2-CE1 3.99Å; F303-F311 HydrophobicContact CE2-CE1 3.99Å; F303-F311 HydrophobicContact CE2-CZ 4.12Å; F303-F311 HydrophobicContact CZ-CE1 4.39Å; F303-F311 HydrophobicContact CZ-CZ 4.22Å; F303-G337 WeakPolarHBondContact CD2-O 3.41Å; F303-N338 WeakPolarHBondContact O-CA 3.08Å; F303-L339 HydrophobicContact CD1-CB 4.37Å; F303-L339 HydrophobicContact CE1-CB 4.09Å; F303-L339 HydrophobicContact CE1-CD1 4.43Å; F303-L339 PolarHBondContact O-N 3.48Å; F303-F342 HydrophobicContact CZ-CB 4.37Å
304	F	87.1	Confident	91.2	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-85.5	-24.5	-176.8	-57.5	-59.9	0	0	0	113.2	I267 K300 P301 S302 L339 S362 D366 L367	I267-F304 HydrophobicContact CD1-CE1 4.38Å; K300-F304 HydrophobicContact CB-CE2 4.17Å; K300-F304 HydrophobicContact CD-CE2 3.57Å; K300-F304 HydrophobicContact CD-CZ 3.84Å; K300-F304 HydrophobicContact CG-CD2 4.31Å; K300-F304 HydrophobicContact CG-CE2 3.63Å; K300-F304 HydrophobicContact CG-CZ 4.13Å; P301-F304 PolarHBondContact O-N 2.87Å; S302-F304 PolarHBondContact O-N 3.2Å; F304-L339 HydrophobicContact CD1-CB 4.34Å; F304-L339 HydrophobicContact CD1-CD1 4.44Å; F304-L339 HydrophobicContact CD1-CD2 4.07Å; F304-S362 VanDerWaalsContact CD2-O 3.26Å; F304-S362 WeakPolarHBondContact CD2-O 3.4Å; F304-S362 WeakPolarHBondContact CE2-O 3.21Å; F304-D366 HydrophobicContact CB-CB 4.08Å; F304-L367 HydrophobicContact CD1-CD2 3.52Å; F304-L367 HydrophobicContact CD1-CG 4.11Å; F304-L367 HydrophobicContact CE1-CD1 4.09Å; F304-L367 HydrophobicContact CE1-CD2 3.64Å; F304-L367 HydrophobicContact CE1-CG 4.05Å; F304-L367 HydrophobicContact CG-CD2 4.3Å; F304-L367 HydrophobicContact CZ-CD1 4.2Å; F304-L367 HydrophobicContact CZ-CD2 4.48Å; F304-L367 HydrophobicContact CZ-CG 4.44Å
305	T	84.8	Confident	90.6	Very high	59 Å²	59	50 Å²	50	36%	0.362	24%	0.235	S	C	.	.	H	α-helix	trans	-107.5	-25.7	-170	52	0	0	0	0	114.1	P301 S302 D366	P301-T305 PolarHBondContact O-N 3.17Å; P301-T305 PolarHBondContact O-OG1 3.01Å; P301-T305 VanDerWaalsContact O-OG1 3.08Å; S302-T305 WeakPolarHBondContact CA-OG1 3.18Å; S302-T305 PolarHBondContact O-N 2.95Å; T305-D366 HydrophobicContact CG2-CB 4.25Å; T305-D366 VanDerWaalsContact CG2-CG 3.41Å; T305-D366 WeakPolarHBondContact CG2-OD2 3.3Å
306	D	85.6	Confident	89.7	Confident	30 Å²	30	57.4 Å²	57.4	16%	0.16	27%	0.27	C	S	.	.			trans	-108.8	151.7	-172.3	-163.4	-16.4	0	0	0	111.4	S302 R308 N338	S302-D306 WeakPolarHBondContact O-CA 3.29Å; S302-D306 WeakPolarHBondContact O-CB 3.26Å; S302-D306 PolarHBondContact O-N 2.74Å; D306-R308 VanDerWaalsContact CG-NE 3.33Å; D306-R308 WeakPolarHBondContact OD1-CB 3.42Å; D306-R308 WeakPolarHBondContact OD1-CG 3.47Å; D306-R308 PolarHBondContact OD1-N 3.3Å; D306-R308 IonicContact OD1-NE 3.91Å; D306-R308 PolarHBondContact OD1-NE 2.97Å; D306-R308 VanDerWaalsContact OD1-NE 3.13Å; D306-R308 IonicContact OD2-CZ 2.69Å; D306-R308 IonicContact OD2-NE 3Å; D306-R308 PolarHBondContact OD2-NE 3.06Å; D306-R308 IonicContact OD2-NH2 2.95Å; D306-R308 PolarHBondContact OD2-NH2 2.73Å; D306-N338 WeakPolarHBondContact O-CB 3.49Å
307	R	88.1	Confident	88.8	Confident	172 Å²	172	66.5 Å²	66.5	65%	0.649	31%	0.31	S	S	*	.	S	Bend	trans	-107.1	-4.9	175.7	-71.4	-180	-177.9	-172.1	2.6	113.6	K309 F340	R307-K309 PolarHBondContact O-N 3.17Å; R307-F340 HydrophobicContact CB-CD2 4.41Å; R307-F340 HydrophobicContact CG-CB 4.15Å; R307-F340 HydrophobicContact CG-CD1 4.38Å; R307-F340 HydrophobicContact CG-CD2 3.17Å; R307-F340 HydrophobicContact CG-CE2 3.5Å; R307-F340 HydrophobicContact CG-CG 3.64Å; R307-F340 HydrophobicContact CG-CZ 4.24Å; R307-F340 VanDerWaalsContact NE-CE1 3.31Å; R307-F340 VanDerWaalsContact NE-CG 3.3Å
308	R	88.4	Confident	88.1	Confident	202 Å²	202	64.7 Å²	64.7	76%	0.762	31%	0.309	S	S	*	.			trans	-73.1	-27.8	-166.6	-73.3	178.8	-67.1	178.4	1.3	114.7	D306 P310	D306-R308 VanDerWaalsContact CG-NE 3.33Å; D306-R308 WeakPolarHBondContact OD1-CB 3.42Å; D306-R308 WeakPolarHBondContact OD1-CG 3.47Å; D306-R308 PolarHBondContact OD1-N 3.3Å; D306-R308 IonicContact OD1-NE 3.91Å; D306-R308 PolarHBondContact OD1-NE 2.97Å; D306-R308 VanDerWaalsContact OD1-NE 3.13Å; D306-R308 IonicContact OD2-CZ 2.69Å; D306-R308 IonicContact OD2-NE 3Å; D306-R308 PolarHBondContact OD2-NE 3.06Å; D306-R308 IonicContact OD2-NH2 2.95Å; D306-R308 PolarHBondContact OD2-NH2 2.73Å; R308-P310 WeakPolarHBondContact O-CD 3.37Å
309	K	89.6	Confident	87.7	Confident	71 Å²	71	67.7 Å²	67.7	31%	0.309	33%	0.33	S	S	.	.			trans	-96.6	114.4	-172.6	-66.7	-177.9	179.7	178.3	0	110.8	D299 R307 G337 N338	D299-K309 VanDerWaalsContact CG-NZ 3.29Å; D299-K309 IonicContact OD1-NZ 3.57Å; D299-K309 IonicContact OD2-NZ 3.74Å; D299-K309 PolarHBondContact OD2-NZ 2.86Å; R307-K309 PolarHBondContact O-N 3.17Å; K309-G337 CarbonylContact O-C 3.54Å; K309-G337 WeakPolarHBondContact O-CA 3.26Å; K309-N338 PolarHBondContact O-ND2 3.22Å
310	P	91.9	Very high	87.5	Confident	77 Å²	77	67.2 Å²	67.2	50%	0.5	33%	0.327	S	S	.	.			trans	-78.8	160.3	173.3	32.7	-34.9	0	0	0	111.4	R308 G337	R308-P310 WeakPolarHBondContact O-CD 3.37Å; P310-G337 PolarHBondContact O-N 3.29Å
311	F	94.4	Very high	87.3	Confident	13 Å²	13	70.1 Å²	70.1	6%	0.057	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	146.7	171.8	-69.6	-73.4	0	0	0	111.6	I295 F303 I325 Y334 Q336 D341 F342 L345	I295-F311 HydrophobicContact CD1-CE1 3.57Å; I295-F311 HydrophobicContact CD1-CZ 4.1Å; I295-F311 HydrophobicContact CG1-CD1 4.49Å; I295-F311 HydrophobicContact CG1-CE1 3.86Å; I295-F311 HydrophobicContact CG2-CE1 4.35Å; F303-F311 AromaticContact CE2-CE1 3.99Å; F303-F311 HydrophobicContact CE2-CE1 3.99Å; F303-F311 HydrophobicContact CE2-CZ 4.12Å; F303-F311 HydrophobicContact CZ-CE1 4.39Å; F303-F311 HydrophobicContact CZ-CZ 4.22Å; F311-I325 HydrophobicContact CB-CB 4.05Å; F311-I325 HydrophobicContact CB-CG1 3.82Å; F311-I325 HydrophobicContact CB-CG2 4.25Å; F311-I325 WeakPolarHBondContact O-CG1 3.21Å; F311-Y334 HydrophobicContact CB-CD1 4.45Å; F311-Q336 WeakPolarHBondContact CD1-O 3.3Å; F311-Q336 WeakPolarHBondContact CE1-O 3.4Å; F311-D341 HydrophobicContact CD2-CB 4.14Å; F311-D341 HydrophobicContact CE2-CB 3.71Å; F311-F342 HydrophobicContact CE2-CB 4.42Å; F311-F342 HydrophobicContact CZ-CB 4Å; F311-F342 HydrophobicContact CZ-CD2 4.4Å; F311-L345 HydrophobicContact CD2-CD1 4.07Å; F311-L345 HydrophobicContact CE2-CD1 4.2Å
312	R	93.3	Very high	87	Confident	84 Å²	84	77.8 Å²	77.8	32%	0.317	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137	166.7	-57.7	-173.8	-177.9	-148.5	-1.5	109.6	L320 Y334 R335	R312-L320 HydrophobicContact CB-CD2 3.7Å; R312-L320 HydrophobicContact CG-CD2 4.36Å; R312-Y334 CarbonylContact O-C 3.6Å; R312-Y334 VanDerWaalsContact O-CA 3.25Å; R312-Y334 WeakPolarHBondContact O-CA 3.48Å; R312-R335 PolarHBondContact N-O 3.12Å; R312-R335 PolarHBondContact O-N 3.02Å
313	K	93.9	Very high	86.9	Confident	50 Å²	50	81.7 Å²	81.7	22%	0.217	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	141.6	177.1	-178.2	169.7	178.8	173.8	0	109.8	Q321 I325 E329 Y334	K313-Q321 HydrophobicContact CB-CB 4.26Å; K313-Q321 WeakPolarHBondContact O-CB 3.5Å; K313-Q321 PolarHBondContact O-N 3.32Å; K313-I325 HydrophobicContact CB-CD1 3.7Å; K313-E329 IonicContact NZ-OE2 3.11Å; K313-E329 PolarHBondContact NZ-OE2 3.3Å; K313-Y334 HydrophobicContact CB-CD1 4.3Å; K313-Y334 HydrophobicContact CB-CE1 4.18Å; K313-Y334 HydrophobicContact CG-CE1 4.41Å
314	L	91.7	Very high	86.7	Confident	11 Å²	11	91.8 Å²	91.8	6%	0.058	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	144.5	169.6	-56.6	-177.1	0	0	0	109.8	F272 V296 S319 L320 I333 R335	F272-L314 HydrophobicContact CB-CD1 3.86Å; F272-L314 HydrophobicContact CD1-CD1 4.33Å; F272-L314 HydrophobicContact CG-CD1 4.19Å; V296-L314 HydrophobicContact CG2-CD1 3.85Å; L314-S319 CarbonylContact C-O 3.56Å; L314-S319 WeakPolarHBondContact CA-O 3.48Å; L314-L320 HydrophobicContact CD2-CD2 3.73Å; L314-L320 HydrophobicContact CD2-CG 4.22Å; L314-I333 HydrophobicContact CB-CB 4.25Å; L314-I333 HydrophobicContact CB-CG2 4.48Å; L314-I333 HydrophobicContact CD1-CB 4.49Å; L314-I333 HydrophobicContact CD1-CG2 3.83Å; L314-I333 HydrophobicContact CG-CG2 4.38Å; L314-I333 PolarHBondContact N-O 2.96Å; L314-R335 HydrophobicContact CD1-CB 4.49Å; L314-R335 HydrophobicContact CD2-CB 4.16Å; L314-R335 HydrophobicContact CG-CB 4.33Å
315	D	85.9	Confident	86.9	Confident	47 Å²	47	92.8 Å²	92.8	25%	0.251	43%	0.425	S	S	.	.			trans	-77.3	178.9	166.9	73.5	14.2	0	0	0	111.9	K317 G318 S319 Q321	D315-K317 PolarHBondContact O-N 2.77Å; D315-K317 VanDerWaalsContact OD1-C 3.25Å; D315-K317 VanDerWaalsContact OD1-CA 3.28Å; D315-K317 WeakPolarHBondContact OD1-CA 3.41Å; D315-K317 WeakPolarHBondContact OD1-CB 3.46Å; D315-K317 PolarHBondContact OD1-N 2.92Å; D315-G318 PolarHBondContact O-N 2.98Å; D315-G318 PolarHBondContact OD1-N 3.34Å; D315-S319 PolarHBondContact N-O 2.75Å; D315-S319 PolarHBondContact OD1-N 3.24Å; D315-S319 WeakPolarHBondContact OD2-CB 3.39Å; D315-Q321 HydrophobicContact CB-CG 4.41Å
316	E	78.3	Confident	87.2	Confident	157 Å²	157	95 Å²	95	73%	0.734	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-24.1	-179.5	-64.5	-177.8	175.1	0	0	113.5	G318	E316-G318 VanDerWaalsContact C-N 3.34Å
317	K	77.5	Confident	87.6	Confident	190 Å²	190	101.4 Å²	101.4	83%	0.826	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-0.1	177.3	-59.2	-177.2	-179.2	-179.5	0	112.2	D315	D315-K317 PolarHBondContact O-N 2.77Å; D315-K317 VanDerWaalsContact OD1-C 3.25Å; D315-K317 VanDerWaalsContact OD1-CA 3.28Å; D315-K317 WeakPolarHBondContact OD1-CA 3.41Å; D315-K317 WeakPolarHBondContact OD1-CB 3.46Å; D315-K317 PolarHBondContact OD1-N 2.92Å
318	G	78.4	Confident	87.9	Confident	29 Å²	29	94.5 Å²	94.5	30%	0.299	44%	0.436	S	S	.	.	S	Bend	trans	82.9	10.3	-178.2	0	0	0	0	0	115	D315 E316	D315-G318 PolarHBondContact O-N 2.98Å; D315-G318 PolarHBondContact OD1-N 3.34Å; E316-G318 VanDerWaalsContact C-N 3.34Å
319	S	85.4	Confident	88.2	Confident	63 Å²	63	87.3 Å²	87.3	44%	0.441	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-83.3	147.4	178.9	-49	0	0	0	0	111.8	L314 D315 Q321	L314-S319 CarbonylContact C-O 3.56Å; L314-S319 WeakPolarHBondContact CA-O 3.48Å; D315-S319 PolarHBondContact N-O 2.75Å; D315-S319 PolarHBondContact OD1-N 3.24Å; D315-S319 WeakPolarHBondContact OD2-CB 3.39Å; S319-Q321 PolarHBondContact O-N 3.1Å
320	L	86.9	Confident	88.4	Confident	54 Å²	54	88.8 Å²	88.8	28%	0.283	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-70.4	128.5	-178.6	-77.6	169.4	0	0	0	112.1	R312 L314	R312-L320 HydrophobicContact CB-CD2 3.7Å; R312-L320 HydrophobicContact CG-CD2 4.36Å; L314-L320 HydrophobicContact CD2-CD2 3.73Å; L314-L320 HydrophobicContact CD2-CG 4.22Å
321	Q	86.8	Confident	88.3	Confident	75 Å²	75	85.9 Å²	85.9	35%	0.35	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-94.4	141.4	165.3	-63.3	-67.2	-20.6	0	0	109.7	K313 D315 S319	K313-Q321 HydrophobicContact CB-CB 4.26Å; K313-Q321 WeakPolarHBondContact O-CB 3.5Å; K313-Q321 PolarHBondContact O-N 3.32Å; D315-Q321 HydrophobicContact CB-CG 4.41Å; S319-Q321 PolarHBondContact O-N 3.1Å
322	W	81.1	Confident	88.2	Confident	207 Å²	207	89 Å²	89	78%	0.784	42%	0.415	S	S	*	.			trans	-94.7	-5.4	-173.7	-66.1	95.8	0	0	0	114
323	D	84.3	Confident	88.2	Confident	120 Å²	120	85.2 Å²	85.2	64%	0.642	40%	0.402	S	S	*	.	S	Bend	trans	-60.6	139.9	179.4	-62.4	-53.3	0	0	0	111.7	I325	D323-I325 WeakPolarHBondContact O-CD1 3.4Å; D323-I325 PolarHBondContact O-N 3.31Å
324	R	87.3	Confident	88.4	Confident	215 Å²	215	83 Å²	83	81%	0.811	39%	0.392	S	S	*	.			trans	-65.4	128.7	172.9	-178.1	179.1	-179.9	177.5	1	109.6	T326	R324-T326 PolarHBondContact O-N 3.15Å
325	I	92.3	Very high	88.5	Confident	23 Å²	23	85.9 Å²	85.9	12%	0.118	40%	0.402	C	S	.	.			trans	-79.9	111.3	178.1	-50.9	-49.8	0	0	0	110.1	F311 K313 D323 R327 L328 Y334 L345	F311-I325 HydrophobicContact CB-CB 4.05Å; F311-I325 HydrophobicContact CB-CG1 3.82Å; F311-I325 HydrophobicContact CB-CG2 4.25Å; F311-I325 WeakPolarHBondContact O-CG1 3.21Å; K313-I325 HydrophobicContact CB-CD1 3.7Å; D323-I325 WeakPolarHBondContact O-CD1 3.4Å; D323-I325 PolarHBondContact O-N 3.31Å; I325-R327 WeakPolarHBondContact CG2-O 3.36Å; I325-L328 HydrophobicContact CG2-CD2 4.03Å; I325-Y334 HydrophobicContact CD1-CD1 4.41Å; I325-Y334 HydrophobicContact CD1-CE1 4.06Å; I325-Y334 HydrophobicContact CG1-CD1 4.35Å; I325-Y334 HydrophobicContact CG1-CE1 4.29Å; I325-Y334 HydrophobicContact CG2-CD1 4.27Å; I325-Y334 HydrophobicContact CG2-CE1 3.79Å; I325-L345 HydrophobicContact CG2-CD1 4.42Å
326	T	90.6	Very high	88.8	Confident	104 Å²	104	85.8 Å²	85.8	64%	0.638	40%	0.4	S	S	*	.	S	Bend	trans	-105.2	-16.6	175.6	54.7	0	0	0	0	113.1	R324 L345	R324-T326 PolarHBondContact O-N 3.15Å; T326-L345 WeakPolarHBondContact O-CD2 3.47Å
327	R	93.8	Very high	89.6	Confident	165 Å²	165	78.3 Å²	78.3	62%	0.623	37%	0.365	S	S	*	.	S	Bend	trans	-149.9	152.2	174.9	64.3	-179.1	-173.2	-168.6	2.1	110.8	I325 E329 Y334	I325-R327 WeakPolarHBondContact CG2-O 3.36Å; R327-E329 HydrophobicContact CG-CG 4.15Å; R327-E329 IonicContact CZ-OE1 2.82Å; R327-E329 IonicContact NE-OE1 3.22Å; R327-E329 PolarHBondContact NE-OE1 2.87Å; R327-E329 IonicContact NH2-OE1 3.56Å; R327-E329 PolarHBondContact NH2-OE1 3.4Å; R327-Y334 PolarHBondContact O-OH 3.34Å
328	L	94.8	Very high	90.3	Very high	28 Å²	28	69.5 Å²	69.5	15%	0.147	33%	0.327	C	S	.	.			trans	-97.5	128.6	171.5	-61.3	171.1	0	0	0	108.5	V293 I325 Y334 F342 L345 T346	V293-L328 HydrophobicContact CG1-CD1 4.02Å; V293-L328 HydrophobicContact CG2-CB 3.92Å; V293-L328 HydrophobicContact CG2-CD1 4.07Å; I325-L328 HydrophobicContact CG2-CD2 4.03Å; L328-Y334 WeakPolarHBondContact CA-OH 3.32Å; L328-Y334 HydrophobicContact CB-CE2 4.34Å; L328-Y334 HydrophobicContact CD2-CD1 3.8Å; L328-Y334 HydrophobicContact CD2-CD2 3.81Å; L328-Y334 HydrophobicContact CD2-CE1 3.67Å; L328-Y334 HydrophobicContact CD2-CE2 3.7Å; L328-Y334 HydrophobicContact CD2-CG 3.86Å; L328-F342 HydrophobicContact CD1-CD2 4.07Å; L328-L345 HydrophobicContact CD1-CB 4.04Å; L328-L345 HydrophobicContact CD1-CD1 4.3Å; L328-L345 HydrophobicContact CD2-CD1 4.41Å; L328-L345 HydrophobicContact CG-CB 4.16Å; L328-L345 HydrophobicContact CG-CD1 4.06Å; L328-T346 HydrophobicContact CD1-CG2 3.78Å
329	E	93.6	Very high	90.9	Very high	50 Å²	50	68.1 Å²	68.1	23%	0.234	31%	0.313	C	S	.	.			trans	-113.2	135.3	-172.9	-65	174	167.4	0	0	110.2	K313 R327 K332 Y334	K313-E329 IonicContact NZ-OE2 3.11Å; K313-E329 PolarHBondContact NZ-OE2 3.3Å; R327-E329 HydrophobicContact CG-CG 4.15Å; R327-E329 IonicContact CZ-OE1 2.82Å; R327-E329 IonicContact NE-OE1 3.22Å; R327-E329 PolarHBondContact NE-OE1 2.87Å; R327-E329 IonicContact NH2-OE1 3.56Å; R327-E329 PolarHBondContact NH2-OE1 3.4Å; E329-K332 HydrophobicContact CB-CB 4.24Å; E329-K332 HydrophobicContact CB-CG 3.7Å; E329-K332 WeakPolarHBondContact O-CB 3.48Å; E329-K332 PolarHBondContact O-N 3.08Å; E329-K332 VanDerWaalsContact O-N 3.11Å; E329-Y334 PolarHBondContact N-OH 2.81Å
330	K	94.9	Very high	91.2	Very high	103 Å²	103	67.8 Å²	67.8	45%	0.448	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	138.2	176.7	-176	162.6	-174.4	163.5	0	111.9	Q289 D292 K332	Q289-K330 WeakPolarHBondContact O-CE 3.44Å; Q289-K330 PolarHBondContact O-NZ 3.34Å; D292-K330 WeakPolarHBondContact O-CA 3.45Å; D292-K330 IonicContact OD1-NZ 3.63Å; K330-K332 PolarHBondContact O-N 2.65Å; K330-K332 VanDerWaalsContact O-N 3.17Å
331	G	88.4	Confident	91.5	Very high	16 Å²	16	67.3 Å²	67.3	17%	0.165	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	-0.5	-178	0	0	0	0	0	115.4	F291	F291-G331 PolarHBondContact O-N 2.68Å
332	K	92.6	Very high	91.8	Very high	78 Å²	78	63.7 Å²	63.7	34%	0.339	28%	0.284	S	S	.	.			trans	-92.7	148.6	172.6	-57.6	-56	-178.5	-175	0	110.7	E329 K330 Y334	E329-K332 HydrophobicContact CB-CB 4.24Å; E329-K332 HydrophobicContact CB-CG 3.7Å; E329-K332 WeakPolarHBondContact O-CB 3.48Å; E329-K332 PolarHBondContact O-N 3.08Å; E329-K332 VanDerWaalsContact O-N 3.11Å; K330-K332 PolarHBondContact O-N 2.65Å; K330-K332 VanDerWaalsContact O-N 3.17Å; K332-Y334 HydrophobicContact CB-CE2 3.93Å
333	I	94.9	Very high	92.4	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	134.7	-177.2	-47.8	-62.3	0	0	0	109	F272 W287 R288 V294 V296 L314	F272-I333 HydrophobicContact CD2-CB 4.47Å; F272-I333 HydrophobicContact CD2-CD1 4.36Å; F272-I333 HydrophobicContact CD2-CG1 4.07Å; F272-I333 HydrophobicContact CD2-CG2 3.79Å; F272-I333 HydrophobicContact CE2-CB 4.38Å; F272-I333 HydrophobicContact CE2-CD1 3.85Å; F272-I333 HydrophobicContact CE2-CG1 3.54Å; F272-I333 HydrophobicContact CE2-CG2 4.18Å; F272-I333 HydrophobicContact CG-CG2 4.24Å; F272-I333 HydrophobicContact CZ-CG1 3.95Å; W287-I333 HydrophobicContact CH2-CD1 4.33Å; R288-I333 HydrophobicContact CG-CD1 4.4Å; V294-I333 HydrophobicContact CB-CD1 3.67Å; V294-I333 HydrophobicContact CG1-CD1 3.73Å; V294-I333 HydrophobicContact CG1-CG2 4.34Å; V294-I333 HydrophobicContact CG2-CD1 4.06Å; V296-I333 HydrophobicContact CG1-CG2 4.12Å; V296-I333 HydrophobicContact CG2-CG2 4.07Å; L314-I333 HydrophobicContact CB-CB 4.25Å; L314-I333 HydrophobicContact CB-CG2 4.48Å; L314-I333 HydrophobicContact CD1-CB 4.49Å; L314-I333 HydrophobicContact CD1-CG2 3.83Å; L314-I333 HydrophobicContact CG-CG2 4.38Å; L314-I333 PolarHBondContact N-O 2.96Å
334	Y	96.2	Very high	92.7	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.008	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	148.7	178.2	-60.8	-88.1	0	0	0	109.9	V294 I295 V296 F311 R312 K313 I325 R327 L328 E329 K332	V294-Y334 PolarHBondContact O-N 3.23Å; I295-Y334 CarbonylContact C-O 3.34Å; I295-Y334 VanDerWaalsContact CA-O 3.3Å; I295-Y334 WeakPolarHBondContact CA-O 3.34Å; V296-Y334 WeakPolarHBondContact CG2-O 3.09Å; V296-Y334 PolarHBondContact N-O 3.42Å; F311-Y334 HydrophobicContact CB-CD1 4.45Å; R312-Y334 CarbonylContact O-C 3.6Å; R312-Y334 VanDerWaalsContact O-CA 3.25Å; R312-Y334 WeakPolarHBondContact O-CA 3.48Å; K313-Y334 HydrophobicContact CB-CD1 4.3Å; K313-Y334 HydrophobicContact CB-CE1 4.18Å; K313-Y334 HydrophobicContact CG-CE1 4.41Å; I325-Y334 HydrophobicContact CD1-CD1 4.41Å; I325-Y334 HydrophobicContact CD1-CE1 4.06Å; I325-Y334 HydrophobicContact CG1-CD1 4.35Å; I325-Y334 HydrophobicContact CG1-CE1 4.29Å; I325-Y334 HydrophobicContact CG2-CD1 4.27Å; I325-Y334 HydrophobicContact CG2-CE1 3.79Å; R327-Y334 PolarHBondContact O-OH 3.34Å; L328-Y334 WeakPolarHBondContact CA-OH 3.32Å; L328-Y334 HydrophobicContact CB-CE2 4.34Å; L328-Y334 HydrophobicContact CD2-CD1 3.8Å; L328-Y334 HydrophobicContact CD2-CD2 3.81Å; L328-Y334 HydrophobicContact CD2-CE1 3.67Å; L328-Y334 HydrophobicContact CD2-CE2 3.7Å; L328-Y334 HydrophobicContact CD2-CG 3.86Å; E329-Y334 PolarHBondContact N-OH 2.81Å; K332-Y334 HydrophobicContact CB-CE2 3.93Å
335	R	94.3	Very high	93.1	Very high	73 Å²	73	46.9 Å²	46.9	28%	0.275	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	141.8	175.6	175.1	170.5	177.2	-166	6.9	109.4	V296 Q297 R312 L314	V296-R335 HydrophobicContact CG2-CB 4.23Å; V296-R335 WeakPolarHBondContact O-CA 3.37Å; Q297-R335 HydrophobicContact CB-CG 4.28Å; Q297-R335 VanDerWaalsContact OE1-CD 3.28Å; Q297-R335 VanDerWaalsContact OE1-CZ 3.24Å; R312-R335 PolarHBondContact N-O 3.12Å; R312-R335 PolarHBondContact O-N 3.02Å; L314-R335 HydrophobicContact CD1-CB 4.49Å; L314-R335 HydrophobicContact CD2-CB 4.16Å; L314-R335 HydrophobicContact CG-CB 4.33Å
336	Q	93.6	Very high	93.2	Very high	44 Å²	44	46.9 Å²	46.9	21%	0.206	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.4	-141	-177.6	-63.8	171.4	-25.2	0	0	111.5	I295 V296 F311	I295-Q336 WeakPolarHBondContact CG2-O 3.37Å; V296-Q336 PolarHBondContact O-N 3.03Å; V296-Q336 VanDerWaalsContact O-N 3.17Å; F311-Q336 WeakPolarHBondContact CD1-O 3.3Å; F311-Q336 WeakPolarHBondContact CE1-O 3.4Å
337	G	93.3	Very high	93.3	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.01	22%	0.219	C	C	.	.			trans	97.2	-170.7	-171	0	0	0	0	0	113.1	F303 K309 P310	F303-G337 WeakPolarHBondContact CD2-O 3.41Å; K309-G337 CarbonylContact O-C 3.54Å; K309-G337 WeakPolarHBondContact O-CA 3.26Å; P310-G337 PolarHBondContact O-N 3.29Å
338	N	93.4	Very high	93.2	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	19%	0.193	C	C	.	.			trans	-151.3	154.8	178.6	64.4	88	0	0	0	110.2	F303 D306 K309 F340 D341 F342	F303-N338 WeakPolarHBondContact O-CA 3.08Å; D306-N338 WeakPolarHBondContact O-CB 3.49Å; K309-N338 PolarHBondContact O-ND2 3.22Å; N338-F340 PolarHBondContact O-N 3.18Å; N338-F340 WeakPolarHBondContact OD1-CB 3.38Å; N338-F340 PolarHBondContact OD1-N 3.14Å; N338-F340 VanDerWaalsContact OD1-N 3.15Å; N338-D341 PolarHBondContact ND2-OD2 2.9Å; N338-D341 PolarHBondContact O-N 3.04Å; N338-D341 PolarHBondContact OD1-N 3.31Å; N338-F342 WeakPolarHBondContact O-CB 3.15Å; N338-F342 PolarHBondContact O-N 3Å
339	L	91.6	Very high	92.8	Very high	0 Å²	0	48 Å²	48	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-32.3	-178.1	-177.9	65.7	0	0	0	112.4	F303 F304 F342 L343 L367 H371 W373	F303-L339 HydrophobicContact CD1-CB 4.37Å; F303-L339 HydrophobicContact CE1-CB 4.09Å; F303-L339 HydrophobicContact CE1-CD1 4.43Å; F303-L339 PolarHBondContact O-N 3.48Å; F304-L339 HydrophobicContact CD1-CB 4.34Å; F304-L339 HydrophobicContact CD1-CD1 4.44Å; F304-L339 HydrophobicContact CD1-CD2 4.07Å; L339-F342 HydrophobicContact CD1-CD1 4.07Å; L339-F342 WeakPolarHBondContact O-CB 2.99Å; L339-F342 PolarHBondContact O-N 3.29Å; L339-L343 HydrophobicContact CD1-CD1 4.33Å; L339-L343 HydrophobicContact CD1-CD2 4.33Å; L339-L343 HydrophobicContact CD1-CG 4.02Å; L339-L343 HydrophobicContact CD2-CD1 4.42Å; L339-L343 HydrophobicContact CG-CD1 3.93Å; L339-L343 HydrophobicContact CG-CG 4.09Å; L339-L343 WeakPolarHBondContact O-CB 3.32Å; L339-L343 WeakPolarHBondContact O-CG 3.21Å; L339-L343 PolarHBondContact O-N 3.18Å; L339-L367 HydrophobicContact CD1-CD2 4.41Å; L339-L367 HydrophobicContact CD2-CD2 3.87Å; L339-H371 HydrophobicContact CD2-CB 4.33Å; L339-H371 WeakPolarHBondContact CD2-CD2 3.29Å; L339-H371 WeakPolarHBondContact CD2-NE2 3.46Å; L339-W373 HydrophobicContact CD1-CH2 3.68Å; L339-W373 HydrophobicContact CD1-CZ2 3.83Å; L339-W373 HydrophobicContact CD1-CZ3 4.4Å
340	F	90.6	Very high	92.5	Very high	57 Å²	57	46.5 Å²	46.5	25%	0.25	21%	0.212	C	C	.	.	H	α-helix	trans	-66.9	-45.4	-178.5	-58.1	-90.2	0	0	0	112.1	R307 N338 R344	R307-F340 HydrophobicContact CB-CD2 4.41Å; R307-F340 HydrophobicContact CG-CB 4.15Å; R307-F340 HydrophobicContact CG-CD1 4.38Å; R307-F340 HydrophobicContact CG-CD2 3.17Å; R307-F340 HydrophobicContact CG-CE2 3.5Å; R307-F340 HydrophobicContact CG-CG 3.64Å; R307-F340 HydrophobicContact CG-CZ 4.24Å; R307-F340 VanDerWaalsContact NE-CE1 3.31Å; R307-F340 VanDerWaalsContact NE-CG 3.3Å; N338-F340 PolarHBondContact O-N 3.18Å; N338-F340 WeakPolarHBondContact OD1-CB 3.38Å; N338-F340 PolarHBondContact OD1-N 3.14Å; N338-F340 VanDerWaalsContact OD1-N 3.15Å; F340-R344 WeakPolarHBondContact O-CB 3.47Å; F340-R344 PolarHBondContact O-N 2.63Å; F340-R344 VanDerWaalsContact O-N 3.09Å
341	D	93.1	Very high	92.2	Very high	43 Å²	43	45.8 Å²	45.8	23%	0.23	22%	0.218	C	C	.	.	H	α-helix	trans	-66.7	-38.6	171.7	-82	-43.6	0	0	0	111.4	F311 N338 L343 R344 L345	F311-D341 HydrophobicContact CD2-CB 4.14Å; F311-D341 HydrophobicContact CE2-CB 3.71Å; N338-D341 PolarHBondContact ND2-OD2 2.9Å; N338-D341 PolarHBondContact O-N 3.04Å; N338-D341 PolarHBondContact OD1-N 3.31Å; D341-L343 PolarHBondContact O-N 3.26Å; D341-R344 PolarHBondContact O-N 2.69Å; D341-R344 IonicContact OD1-CZ 3.7Å; D341-R344 IonicContact OD1-NE 2.82Å; D341-R344 PolarHBondContact OD1-NE 3.13Å; D341-R344 IonicContact OD1-NH2 3.05Å; D341-R344 PolarHBondContact OD1-NH2 3.13Å; D341-L345 VanDerWaalsContact O-CB 3.32Å; D341-L345 WeakPolarHBondContact O-CB 3.33Å; D341-L345 WeakPolarHBondContact O-CG 3.18Å; D341-L345 PolarHBondContact O-N 3.27Å
342	F	94.1	Very high	92.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-55.8	-52	175.2	-178.1	-95	0	0	0	111.6	F265 V293 I295 F303 F311 L328 N338 L339 R344 L345 T346 W348 W373	F265-F342 HydrophobicContact CB-CZ 4.42Å; F265-F342 HydrophobicContact CD1-CZ 4.19Å; F265-F342 HydrophobicContact CD2-CE2 4.32Å; F265-F342 AromaticContact CD2-CZ 3.75Å; F265-F342 HydrophobicContact CD2-CZ 3.75Å; F265-F342 HydrophobicContact CE1-CZ 4.37Å; F265-F342 HydrophobicContact CE2-CE1 4.42Å; F265-F342 AromaticContact CE2-CZ 3.95Å; F265-F342 HydrophobicContact CE2-CZ 3.95Å; F265-F342 AromaticContact CG-CZ 3.87Å; F265-F342 HydrophobicContact CG-CZ 3.87Å; F265-F342 HydrophobicContact CZ-CE1 4.44Å; F265-F342 HydrophobicContact CZ-CZ 4.25Å; V293-F342 HydrophobicContact CB-CE2 4.29Å; V293-F342 HydrophobicContact CG1-CE2 3.94Å; V293-F342 HydrophobicContact CG2-CE2 4.48Å; I295-F342 HydrophobicContact CD1-CD2 3.65Å; I295-F342 HydrophobicContact CD1-CE2 3.82Å; F303-F342 HydrophobicContact CZ-CB 4.37Å; F311-F342 HydrophobicContact CE2-CB 4.42Å; F311-F342 HydrophobicContact CZ-CB 4Å; F311-F342 HydrophobicContact CZ-CD2 4.4Å; L328-F342 HydrophobicContact CD1-CD2 4.07Å; N338-F342 WeakPolarHBondContact O-CB 3.15Å; N338-F342 PolarHBondContact O-N 3Å; L339-F342 HydrophobicContact CD1-CD1 4.07Å; L339-F342 WeakPolarHBondContact O-CB 2.99Å; L339-F342 PolarHBondContact O-N 3.29Å; F342-R344 VanDerWaalsContact C-N 3.27Å; F342-R344 PolarHBondContact O-N 3.31Å; F342-L345 PolarHBondContact O-N 3.47Å; F342-T346 HydrophobicContact CD1-CG2 4.49Å; F342-T346 HydrophobicContact CD2-CG2 4.2Å; F342-T346 HydrophobicContact CE1-CG2 4.32Å; F342-T346 HydrophobicContact CE2-CG2 4.05Å; F342-T346 HydrophobicContact CG-CG2 4.45Å; F342-T346 HydrophobicContact CZ-CG2 4.13Å; F342-T346 WeakPolarHBondContact O-CB 3.19Å; F342-T346 WeakPolarHBondContact O-CG2 3.33Å; F342-T346 PolarHBondContact O-N 3.09Å; F342-T346 PolarHBondContact O-OG1 2.87Å; F342-W348 AromaticContact CE1-CE3 3.76Å; F342-W348 HydrophobicContact CE1-CE3 3.76Å; F342-W348 HydrophobicContact CE1-CZ3 4.27Å; F342-W348 HydrophobicContact CE2-CE3 4.49Å; F342-W348 HydrophobicContact CE2-CZ3 4.25Å; F342-W348 AromaticContact CZ-CE3 3.51Å; F342-W348 HydrophobicContact CZ-CE3 3.51Å; F342-W348 AromaticContact CZ-CZ3 3.54Å; F342-W348 HydrophobicContact CZ-CZ3 3.54Å; F342-W373 HydrophobicContact CD1-CH2 4.04Å; F342-W373 HydrophobicContact CD1-CZ2 4.18Å; F342-W373 AromaticContact CE1-CH2 3.58Å; F342-W373 HydrophobicContact CE1-CH2 3.58Å; F342-W373 AromaticContact CE1-CZ2 3.88Å; F342-W373 HydrophobicContact CE1-CZ2 3.88Å; F342-W373 HydrophobicContact CZ-CH2 4.49Å
343	L	92.1	Very high	92.6	Very high	22 Å²	22	46.4 Å²	46.4	12%	0.115	21%	0.213	C	C	.	.	H	α-helix	trans	-64.3	-30.6	178.7	-67.3	173	0	0	0	112.8	L339 D341 E347 W348 R349 W373	L339-L343 HydrophobicContact CD1-CD1 4.33Å; L339-L343 HydrophobicContact CD1-CD2 4.33Å; L339-L343 HydrophobicContact CD1-CG 4.02Å; L339-L343 HydrophobicContact CD2-CD1 4.42Å; L339-L343 HydrophobicContact CG-CD1 3.93Å; L339-L343 HydrophobicContact CG-CG 4.09Å; L339-L343 WeakPolarHBondContact O-CB 3.32Å; L339-L343 WeakPolarHBondContact O-CG 3.21Å; L339-L343 PolarHBondContact O-N 3.18Å; D341-L343 PolarHBondContact O-N 3.26Å; L343-E347 WeakPolarHBondContact O-CA 3.49Å; L343-E347 PolarHBondContact O-N 2.68Å; L343-E347 VanDerWaalsContact O-N 3.14Å; L343-W348 WeakPolarHBondContact CD2-O 3.44Å; L343-R349 HydrophobicContact CD2-CG 4.46Å; L343-W373 HydrophobicContact CD2-CZ2 3.55Å
344	R	92.3	Very high	92.7	Very high	130 Å²	130	46.2 Å²	46.2	49%	0.491	21%	0.212	S	C	.	.	H	α-helix	trans	-73.6	-38.8	175.9	-177.7	179.8	64	80.7	2.4	111.8	F340 D341 F342	F340-R344 WeakPolarHBondContact O-CB 3.47Å; F340-R344 PolarHBondContact O-N 2.63Å; F340-R344 VanDerWaalsContact O-N 3.09Å; D341-R344 PolarHBondContact O-N 2.69Å; D341-R344 IonicContact OD1-CZ 3.7Å; D341-R344 IonicContact OD1-NE 2.82Å; D341-R344 PolarHBondContact OD1-NE 3.13Å; D341-R344 IonicContact OD1-NH2 3.05Å; D341-R344 PolarHBondContact OD1-NH2 3.13Å; F342-R344 VanDerWaalsContact C-N 3.27Å; F342-R344 PolarHBondContact O-N 3.31Å
345	L	94.5	Very high	92.8	Very high	36 Å²	36	46.1 Å²	46.1	19%	0.188	21%	0.211	C	C	.	.	H	α-helix	trans	-83.9	-28.9	-175.5	-67.6	172.3	0	0	0	113	F311 I325 T326 L328 D341 F342	F311-L345 HydrophobicContact CD2-CD1 4.07Å; F311-L345 HydrophobicContact CE2-CD1 4.2Å; I325-L345 HydrophobicContact CG2-CD1 4.42Å; T326-L345 WeakPolarHBondContact O-CD2 3.47Å; L328-L345 HydrophobicContact CD1-CB 4.04Å; L328-L345 HydrophobicContact CD1-CD1 4.3Å; L328-L345 HydrophobicContact CD2-CD1 4.41Å; L328-L345 HydrophobicContact CG-CB 4.16Å; L328-L345 HydrophobicContact CG-CD1 4.06Å; D341-L345 VanDerWaalsContact O-CB 3.32Å; D341-L345 WeakPolarHBondContact O-CB 3.33Å; D341-L345 WeakPolarHBondContact O-CG 3.18Å; D341-L345 PolarHBondContact O-N 3.27Å; F342-L345 PolarHBondContact O-N 3.47Å
346	T	94.5	Very high	92.9	Very high	23 Å²	23	42.6 Å²	42.6	14%	0.141	20%	0.198	C	C	.	.	H	α-helix	trans	-100	-24.3	-178.5	59.9	0	0	0	0	113.6	V293 L328 F342 W348	V293-T346 HydrophobicContact CG2-CG2 4.25Å; L328-T346 HydrophobicContact CD1-CG2 3.78Å; F342-T346 HydrophobicContact CD1-CG2 4.49Å; F342-T346 HydrophobicContact CD2-CG2 4.2Å; F342-T346 HydrophobicContact CE1-CG2 4.32Å; F342-T346 HydrophobicContact CE2-CG2 4.05Å; F342-T346 HydrophobicContact CG-CG2 4.45Å; F342-T346 HydrophobicContact CZ-CG2 4.13Å; F342-T346 WeakPolarHBondContact O-CB 3.19Å; F342-T346 WeakPolarHBondContact O-CG2 3.33Å; F342-T346 PolarHBondContact O-N 3.09Å; F342-T346 PolarHBondContact O-OG1 2.87Å; T346-W348 HydrophobicContact CG2-CD2 4.08Å; T346-W348 HydrophobicContact CG2-CE3 3.81Å; T346-W348 HydrophobicContact CG2-CH2 4.46Å; T346-W348 HydrophobicContact CG2-CZ3 4Å; T346-W348 PolarHBondContact O-N 3.08Å; T346-W348 PolarHBondContact OG1-N 2.73Å
347	E	92.4	Very high	93	Very high	145 Å²	145	40.5 Å²	40.5	68%	0.678	19%	0.189	S	C	*	.			trans	59.5	9.6	-170.8	-52.4	-171.7	153.6	0	0	114.7	L343 R349	L343-E347 WeakPolarHBondContact O-CA 3.49Å; L343-E347 PolarHBondContact O-N 2.68Å; L343-E347 VanDerWaalsContact O-N 3.14Å; E347-R349 PolarHBondContact O-N 2.82Å
348	W	92.9	Very high	93	Very high	24 Å²	24	40.7 Å²	40.7	9%	0.091	19%	0.189	C	C	.	.			trans	-72	110.4	176.1	-63.1	-20.6	0	0	0	110.5	V69 Q263 F265 D292 V293 F342 L343 T346 V353	V69-W348 HydrophobicContact CB-CD2 4.39Å; V69-W348 HydrophobicContact CB-CG 4.46Å; V69-W348 HydrophobicContact CG1-CD2 3.57Å; V69-W348 HydrophobicContact CG1-CE3 3.58Å; V69-W348 HydrophobicContact CG1-CG 4.11Å; V69-W348 HydrophobicContact CG1-CH2 4.12Å; V69-W348 HydrophobicContact CG1-CZ2 4.11Å; V69-W348 HydrophobicContact CG1-CZ3 3.88Å; V69-W348 HydrophobicContact CG2-CB 4.38Å; V69-W348 HydrophobicContact CG2-CD2 4Å; V69-W348 HydrophobicContact CG2-CG 3.79Å; Q263-W348 HydrophobicContact CB-CZ2 3.94Å; F265-W348 HydrophobicContact CB-CH2 4.19Å; F265-W348 HydrophobicContact CB-CZ3 3.73Å; F265-W348 AromaticContact CD1-CE3 3.81Å; F265-W348 HydrophobicContact CD1-CE3 3.81Å; F265-W348 HydrophobicContact CD1-CH2 4.21Å; F265-W348 AromaticContact CD1-CZ3 3.38Å; F265-W348 HydrophobicContact CD1-CZ3 3.38Å; F265-W348 HydrophobicContact CE1-CE3 4.14Å; F265-W348 HydrophobicContact CE1-CZ3 4.17Å; F265-W348 HydrophobicContact CG-CE3 4.45Å; F265-W348 AromaticContact CG-CZ3 3.74Å; F265-W348 HydrophobicContact CG-CZ3 3.74Å; D292-W348 HydrophobicContact CB-CH2 3.86Å; D292-W348 HydrophobicContact CB-CZ2 4.09Å; V293-W348 HydrophobicContact CG2-CH2 3.9Å; V293-W348 HydrophobicContact CG2-CZ3 4.12Å; F342-W348 AromaticContact CE1-CE3 3.76Å; F342-W348 HydrophobicContact CE1-CE3 3.76Å; F342-W348 HydrophobicContact CE1-CZ3 4.27Å; F342-W348 HydrophobicContact CE2-CE3 4.49Å; F342-W348 HydrophobicContact CE2-CZ3 4.25Å; F342-W348 AromaticContact CZ-CE3 3.51Å; F342-W348 HydrophobicContact CZ-CE3 3.51Å; F342-W348 AromaticContact CZ-CZ3 3.54Å; F342-W348 HydrophobicContact CZ-CZ3 3.54Å; L343-W348 WeakPolarHBondContact CD2-O 3.44Å; T346-W348 HydrophobicContact CG2-CD2 4.08Å; T346-W348 HydrophobicContact CG2-CE3 3.81Å; T346-W348 HydrophobicContact CG2-CH2 4.46Å; T346-W348 HydrophobicContact CG2-CZ3 4Å; T346-W348 PolarHBondContact O-N 3.08Å; T346-W348 PolarHBondContact OG1-N 2.73Å; W348-V353 HydrophobicContact CB-CG2 3.89Å
349	R	86.6	Confident	92.8	Very high	151 Å²	151	42.1 Å²	42.1	57%	0.57	20%	0.196	S	C	*	.			trans	-140	150.8	-171.6	-64.8	-177.6	-175	-178.2	5.1	113	L343 E347	L343-R349 HydrophobicContact CD2-CG 4.46Å; E347-R349 PolarHBondContact O-N 2.82Å
350	G	86.7	Confident	92.4	Very high	19 Å²	19	42.1 Å²	42.1	20%	0.196	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	68.5	-150	169.7	0	0	0	0	0	113.5	R352 V353 G372	G350-R352 PolarHBondContact O-N 3.13Å; G350-R352 VanDerWaalsContact O-N 3.11Å; G350-V353 PolarHBondContact O-N 3.48Å; G350-G372 CarbonylContact C-O 3.5Å; G350-G372 VanDerWaalsContact C-O 3.23Å
351	P	89	Confident	91.9	Very high	88 Å²	88	44.3 Å²	44.3	57%	0.571	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-73.9	-4.1	-168.4	30.7	-36.7	0	0	0	114.3	V353 R374	P351-V353 PolarHBondContact O-N 2.89Å; P351-R374 HydrophobicContact CB-CG 4.29Å; P351-R374 VanDerWaalsContact O-CG 3.27Å; P351-R374 WeakPolarHBondContact O-CG 3.27Å
352	R	93.4	Very high	91.1	Very high	108 Å²	108	43.1 Å²	43.1	41%	0.408	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-76.9	-10.1	176.9	-60.2	-174.8	-66.2	166.1	-6.9	113	E68 V69 G350	E68-R352 HydrophobicContact CB-CB 4.42Å; E68-R352 PolarHBondContact N-O 3.36Å; E68-R352 IonicContact OE1-NH1 3.92Å; E68-R352 WeakPolarHBondContact OE2-CD 3.43Å; E68-R352 IonicContact OE2-CZ 2.79Å; E68-R352 IonicContact OE2-NE 3.26Å; E68-R352 IonicContact OE2-NH1 2.77Å; E68-R352 PolarHBondContact OE2-NH1 3.26Å; V69-R352 PolarHBondContact N-O 2.76Å; G350-R352 PolarHBondContact O-N 3.13Å; G350-R352 VanDerWaalsContact O-N 3.11Å
353	V	95.7	Very high	90.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	126.2	177.6	-171.4	0	0	0	0	109.1	V69 F265 W348 G350 P351 W373 R374	V69-V353 HydrophobicContact CB-CG1 4.44Å; V69-V353 HydrophobicContact CB-CG2 4.25Å; V69-V353 WeakPolarHBondContact O-CA 3.27Å; F265-V353 HydrophobicContact CE1-CG1 3.82Å; F265-V353 HydrophobicContact CZ-CG1 3.97Å; W348-V353 HydrophobicContact CB-CG2 3.89Å; G350-V353 PolarHBondContact O-N 3.48Å; P351-V353 PolarHBondContact O-N 2.89Å; V353-W373 HydrophobicContact CB-CD2 3.95Å; V353-W373 HydrophobicContact CB-CE3 4.49Å; V353-W373 HydrophobicContact CB-CG 3.96Å; V353-W373 HydrophobicContact CG1-CD2 3.63Å; V353-W373 HydrophobicContact CG1-CE3 3.7Å; V353-W373 HydrophobicContact CG1-CG 4.14Å; V353-W373 HydrophobicContact CG1-CH2 4.22Å; V353-W373 HydrophobicContact CG1-CZ2 4.1Å; V353-W373 HydrophobicContact CG1-CZ3 4.04Å; V353-R374 WeakPolarHBondContact O-CB 3.25Å; V353-R374 PolarHBondContact O-N 2.76Å
354	L	97	Very high	89.8	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	114.4	171.6	179	57.4	0	0	0	109.4	L64 V67 V69 Y70 G71 F356 R374	L64-L354 HydrophobicContact CD2-CD2 4.17Å; V67-L354 HydrophobicContact CG1-CB 3.51Å; V67-L354 HydrophobicContact CG2-CB 4.21Å; V67-L354 HydrophobicContact CG2-CD2 4.45Å; V69-L354 PolarHBondContact O-N 3.3Å; Y70-L354 WeakPolarHBondContact CA-O 3.42Å; Y70-L354 HydrophobicContact CD1-CD2 4.5Å; Y70-L354 HydrophobicContact CE1-CD2 4Å; G71-L354 PolarHBondContact N-O 3.03Å; L354-F356 HydrophobicContact CD1-CZ 4.44Å; L354-F356 HydrophobicContact CD2-CE2 3.65Å; L354-F356 HydrophobicContact CD2-CZ 3.49Å; L354-F356 VanDerWaalsContact CD2-CZ 3.49Å; L354-F356 HydrophobicContact CG-CD2 4.35Å; L354-F356 HydrophobicContact CG-CE2 3.58Å; L354-F356 HydrophobicContact CG-CZ 3.78Å; L354-R374 WeakPolarHBondContact CA-O 3.34Å; L354-R374 HydrophobicContact CB-CB 4.34Å; L354-R374 HydrophobicContact CD1-CB 3.66Å
355	Y	96.8	Very high	89.2	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.1	179.8	-175.8	-86.5	0	0	0	111.4	G71 D73 F265 I267 D363 L364 L367 W373 R374 T375 G376	G71-Y355 CarbonylContact O-C 3.6Å; G71-Y355 WeakPolarHBondContact O-CA 3.3Å; D73-Y355 PolarHBondContact N-OH 3.46Å; F265-Y355 AromaticContact CE2-CD2 3.64Å; F265-Y355 HydrophobicContact CE2-CD2 3.64Å; F265-Y355 AromaticContact CE2-CE2 3.94Å; F265-Y355 HydrophobicContact CE2-CE2 3.94Å; F265-Y355 AromaticContact CZ-CD2 3.85Å; F265-Y355 HydrophobicContact CZ-CD2 3.85Å; I267-Y355 HydrophobicContact CB-CE2 4.3Å; I267-Y355 HydrophobicContact CD1-CE2 4.3Å; I267-Y355 PolarHBondContact O-OH 2.8Å; Y355-D363 HydrophobicContact CE1-CB 4.04Å; Y355-L364 HydrophobicContact CD1-CD2 3.83Å; Y355-L364 HydrophobicContact CE1-CD2 4.27Å; Y355-L367 HydrophobicContact CD1-CD1 3.46Å; Y355-L367 VanDerWaalsContact CD1-CD1 3.46Å; Y355-L367 HydrophobicContact CD2-CD1 4.21Å; Y355-L367 HydrophobicContact CE1-CD1 4.1Å; Y355-L367 HydrophobicContact CG-CD1 3.53Å; Y355-W373 HydrophobicContact CD2-CZ3 4.2Å; Y355-R374 PolarHBondContact N-O 2.85Å; Y355-T375 CarbonylContact O-C 3.55Å; Y355-T375 WeakPolarHBondContact O-CA 3.36Å; Y355-G376 PolarHBondContact O-N 3.2Å
356	F	97.7	Very high	88.4	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	135.1	176.3	-66.7	-88.1	0	0	0	111.5	Y70 G71 F72 D73 T77 L354 G376 I378 M470 L473 L476	Y70-F356 AromaticContact CD1-CE2 3.85Å; Y70-F356 HydrophobicContact CD1-CE2 3.85Å; Y70-F356 HydrophobicContact CE1-CE2 4.26Å; G71-F356 PolarHBondContact O-N 3.1Å; F72-F356 CarbonylContact C-O 3.56Å; F72-F356 HydrophobicContact CD1-CB 3.95Å; F72-F356 AromaticContact CD1-CD2 3.96Å; F72-F356 HydrophobicContact CD1-CD2 3.96Å; F72-F356 HydrophobicContact CD1-CG 4.28Å; F72-F356 HydrophobicContact CE1-CB 4.45Å; F72-F356 AromaticContact CE1-CD2 3.64Å; F72-F356 HydrophobicContact CE1-CD2 3.64Å; F72-F356 HydrophobicContact CE1-CE2 4.27Å; F72-F356 HydrophobicContact CE1-CG 4.29Å; F72-F356 HydrophobicContact CZ-CD2 4.48Å; D73-F356 PolarHBondContact N-O 3.46Å; T77-F356 HydrophobicContact CG2-CB 3.96Å; L354-F356 HydrophobicContact CD1-CZ 4.44Å; L354-F356 HydrophobicContact CD2-CE2 3.65Å; L354-F356 HydrophobicContact CD2-CZ 3.49Å; L354-F356 VanDerWaalsContact CD2-CZ 3.49Å; L354-F356 HydrophobicContact CG-CD2 4.35Å; L354-F356 HydrophobicContact CG-CE2 3.58Å; L354-F356 HydrophobicContact CG-CZ 3.78Å; F356-G376 VanDerWaalsContact CA-O 3.27Å; F356-G376 WeakPolarHBondContact CA-O 3.33Å; F356-I378 HydrophobicContact CD1-CD1 4.08Å; F356-M470 HydrophobicContact CD1-CE 4.46Å; F356-M470 HydrophobicContact CE1-CE 3.64Å; F356-M470 HydrophobicContact CE1-SD 4.37Å; F356-L473 HydrophobicContact CD1-CD1 4.06Å; F356-L473 HydrophobicContact CD2-CD1 4.3Å; F356-L473 HydrophobicContact CE1-CD1 4.29Å; F356-L473 HydrophobicContact CG-CD1 4.06Å; F356-L476 HydrophobicContact CE2-CD1 4.42Å; F356-L476 HydrophobicContact CZ-CD1 4Å
357	G	95.6	Very high	87.6	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	157.7	175	0	0	0	0	0	110.8	T77 G376 A377 I378	T77-G357 WeakPolarHBondContact OG1-CA 3.15Å; G357-G376 PolarHBondContact N-O 2.85Å; G357-G376 VanDerWaalsContact N-O 3.12Å; G357-A377 WeakPolarHBondContact O-CA 3.25Å; G357-I378 PolarHBondContact O-N 3.32Å
358	D	93.5	Very high	86.8	Confident	5 Å²	5	29.4 Å²	29.4	3%	0.027	14%	0.138	C	C	.	.	S	Bend	trans	-92.4	-29.5	175.1	75	-66.6	0	0	0	110.7	T77 R119 L360 I378	T77-D358 PolarHBondContact OG1-N 3.49Å; T77-D358 VanDerWaalsContact OG1-N 3.1Å; R119-D358 PolarHBondContact NH2-O 3.3Å; R119-D358 IonicContact NH2-OD2 3.04Å; D358-L360 PolarHBondContact O-N 2.61Å; D358-I378 WeakPolarHBondContact CA-O 3.4Å
359	H	88.3	Confident	85.9	Confident	33 Å²	33	32.8 Å²	32.8	15%	0.153	16%	0.157	C	C	.	.			trans	-93.2	98.5	-175.3	-168.7	-52.5	0	0	0	112.5	D186 Y361 S362 D363	D186-H359 IonicContact OD2-CD2 2.79Å; H359-Y361 VanDerWaalsContact C-N 3.27Å; H359-Y361 PolarHBondContact ND1-N 2.96Å; H359-Y361 PolarHBondContact O-N 3.08Å; H359-S362 VanDerWaalsContact CB-OG 3.26Å; H359-S362 WeakPolarHBondContact CB-OG 3.42Å; H359-S362 PolarHBondContact ND1-N 3.28Å; H359-S362 VanDerWaalsContact ND1-N 3.13Å; H359-S362 PolarHBondContact ND1-OG 3.43Å; H359-S362 PolarHBondContact O-N 2.75Å; H359-D363 WeakPolarHBondContact CB-OD2 3.28Å; H359-D363 PolarHBondContact N-OD2 3.12Å; H359-D363 VanDerWaalsContact N-OD2 3.12Å; H359-D363 VanDerWaalsContact O-CB 3.27Å; H359-D363 WeakPolarHBondContact O-CB 3.47Å; H359-D363 PolarHBondContact O-N 3.17Å
360	L	84.2	Confident	85.3	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	I	π-helix	trans	-48.1	-37.6	-174.8	-61.4	-178.3	0	0	0	116.1	M185 D358 L364 A365 A377 I379 F458 R461 L462	M185-L360 HydrophobicContact CE-CB 3.84Å; M185-L360 HydrophobicContact CE-CD1 3.58Å; M185-L360 HydrophobicContact CE-CG 4.11Å; D358-L360 PolarHBondContact O-N 2.61Å; L360-L364 HydrophobicContact CD2-CD1 3.88Å; L360-A365 PolarHBondContact O-N 3.45Å; L360-A365 VanDerWaalsContact O-N 3.08Å; L360-A377 HydrophobicContact CD2-CB 3.73Å; L360-I379 HydrophobicContact CD2-CD1 4.39Å; L360-F458 HydrophobicContact CD1-CD2 4.22Å; L360-F458 HydrophobicContact CD1-CE1 4.3Å; L360-F458 HydrophobicContact CD1-CE2 3.75Å; L360-F458 HydrophobicContact CD1-CZ 3.8Å; L360-R461 HydrophobicContact CD1-CB 4.41Å; L360-L462 HydrophobicContact CD1-CB 3.84Å; L360-L462 HydrophobicContact CD1-CD1 4.19Å; L360-L462 HydrophobicContact CD2-CD1 3.64Å
361	Y	78.7	Confident	84.7	Confident	104 Å²	104	33.9 Å²	33.9	41%	0.408	16%	0.157	S	C	.	.	I	π-helix	trans	-86.1	-58.1	179.2	-166.4	-94.7	0	0	0	113.6	H359 D363 A365	H359-Y361 VanDerWaalsContact C-N 3.27Å; H359-Y361 PolarHBondContact ND1-N 2.96Å; H359-Y361 PolarHBondContact O-N 3.08Å; Y361-D363 VanDerWaalsContact C-N 3.25Å; Y361-D363 PolarHBondContact O-N 2.85Å; Y361-A365 HydrophobicContact CD2-CB 4.15Å
362	S	76.9	Confident	84.4	Confident	18 Å²	18	31.7 Å²	31.7	13%	0.126	15%	0.15	C	C	.	.	I	π-helix	trans	-66	-27.9	-175.2	55.6	0	0	0	0	114	F304 H359	F304-S362 VanDerWaalsContact CD2-O 3.26Å; F304-S362 WeakPolarHBondContact CD2-O 3.4Å; F304-S362 WeakPolarHBondContact CE2-O 3.21Å; H359-S362 VanDerWaalsContact CB-OG 3.26Å; H359-S362 WeakPolarHBondContact CB-OG 3.42Å; H359-S362 PolarHBondContact ND1-N 3.28Å; H359-S362 VanDerWaalsContact ND1-N 3.13Å; H359-S362 PolarHBondContact ND1-OG 3.43Å; H359-S362 PolarHBondContact O-N 2.75Å
363	D	75.3	Confident	84.2	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	13%	0.132	C	C	.	.	I	π-helix	trans	-100.1	-48.8	-175.9	-62.9	-26	0	0	0	112.5	K300 Y355 H359 Y361 L367	K300-D363 WeakPolarHBondContact CD-OD1 3.48Å; K300-D363 WeakPolarHBondContact CE-OD1 3.47Å; K300-D363 IonicContact NZ-OD1 3.87Å; K300-D363 PolarHBondContact NZ-OD1 3.37Å; Y355-D363 HydrophobicContact CE1-CB 4.04Å; H359-D363 WeakPolarHBondContact CB-OD2 3.28Å; H359-D363 PolarHBondContact N-OD2 3.12Å; H359-D363 VanDerWaalsContact N-OD2 3.12Å; H359-D363 VanDerWaalsContact O-CB 3.27Å; H359-D363 WeakPolarHBondContact O-CB 3.47Å; H359-D363 PolarHBondContact O-N 3.17Å; Y361-D363 VanDerWaalsContact C-N 3.25Å; Y361-D363 PolarHBondContact O-N 2.85Å; D363-L367 WeakPolarHBondContact O-CD1 3.23Å; D363-L367 WeakPolarHBondContact O-CG 3.39Å
364	L	84.1	Confident	84.2	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.141	C	C	.	.	I	π-helix	trans	-103.6	-34.2	-162.5	-50.1	-175.2	0	0	0	114.1	Y355 L360 D366 L367 M368 T375 A377 F465	Y355-L364 HydrophobicContact CD1-CD2 3.83Å; Y355-L364 HydrophobicContact CE1-CD2 4.27Å; L360-L364 HydrophobicContact CD2-CD1 3.88Å; L364-D366 PolarHBondContact O-N 2.94Å; L364-L367 PolarHBondContact O-N 3.3Å; L364-M368 PolarHBondContact O-N 3.11Å; L364-M368 VanDerWaalsContact O-N 3.14Å; L364-T375 HydrophobicContact CB-CG2 4.18Å; L364-T375 HydrophobicContact CD2-CG2 4.18Å; L364-A377 HydrophobicContact CD1-CB 3.79Å; L364-F465 HydrophobicContact CB-CB 4.32Å; L364-F465 WeakPolarHBondContact CB-O 3.26Å
365	A	79.4	Confident	84.1	Confident	2 Å²	2	29.3 Å²	29.3	2%	0.017	14%	0.141	C	C	.	.	I	π-helix	trans	-60.3	-50.5	-168.6	0	0	0	0	0	113.1	L360 Y361 L369 F465	L360-A365 PolarHBondContact O-N 3.45Å; L360-A365 VanDerWaalsContact O-N 3.08Å; Y361-A365 HydrophobicContact CD2-CB 4.15Å; A365-L369 WeakPolarHBondContact O-CB 3.41Å; A365-L369 WeakPolarHBondContact O-CG 3.39Å; A365-L369 PolarHBondContact O-N 3.32Å; A365-F465 HydrophobicContact CB-CD1 4.01Å; A365-F465 HydrophobicContact CB-CD2 3.92Å; A365-F465 HydrophobicContact CB-CE1 4.14Å; A365-F465 HydrophobicContact CB-CE2 4.04Å; A365-F465 HydrophobicContact CB-CG 3.92Å; A365-F465 HydrophobicContact CB-CZ 4.15Å
366	D	78.3	Confident	84.1	Confident	11 Å²	11	29.3 Å²	29.3	6%	0.059	14%	0.141	C	C	.	.	H	α-helix	trans	-71.4	-33.6	-178.4	-74.2	-59.1	0	0	0	112.5	F304 T305 L364 M368 R370 H371	F304-D366 HydrophobicContact CB-CB 4.08Å; T305-D366 HydrophobicContact CG2-CB 4.25Å; T305-D366 VanDerWaalsContact CG2-CG 3.41Å; T305-D366 WeakPolarHBondContact CG2-OD2 3.3Å; L364-D366 PolarHBondContact O-N 2.94Å; D366-M368 PolarHBondContact O-N 3.37Å; D366-R370 VanDerWaalsContact O-CB 3.31Å; D366-R370 WeakPolarHBondContact O-CB 3.29Å; D366-R370 PolarHBondContact O-N 2.88Å; D366-R370 IonicContact OD1-CZ 3.4Å; D366-R370 IonicContact OD1-NE 3.57Å; D366-R370 PolarHBondContact OD1-NE 3.39Å; D366-R370 IonicContact OD1-NH2 3.43Å; D366-R370 PolarHBondContact OD1-NH2 3.13Å; D366-H371 PolarHBondContact O-CD2 3.31Å
367	L	77.9	Confident	84.1	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.141	C	C	.	.	I	π-helix	trans	-60	-48.1	177.4	-68	-179.4	0	0	0	111.6	F304 L339 Y355 D363 L364 H371 G372 W373 T375	F304-L367 HydrophobicContact CD1-CD2 3.52Å; F304-L367 HydrophobicContact CD1-CG 4.11Å; F304-L367 HydrophobicContact CE1-CD1 4.09Å; F304-L367 HydrophobicContact CE1-CD2 3.64Å; F304-L367 HydrophobicContact CE1-CG 4.05Å; F304-L367 HydrophobicContact CG-CD2 4.3Å; F304-L367 HydrophobicContact CZ-CD1 4.2Å; F304-L367 HydrophobicContact CZ-CD2 4.48Å; F304-L367 HydrophobicContact CZ-CG 4.44Å; L339-L367 HydrophobicContact CD1-CD2 4.41Å; L339-L367 HydrophobicContact CD2-CD2 3.87Å; Y355-L367 HydrophobicContact CD1-CD1 3.46Å; Y355-L367 VanDerWaalsContact CD1-CD1 3.46Å; Y355-L367 HydrophobicContact CD2-CD1 4.21Å; Y355-L367 HydrophobicContact CE1-CD1 4.1Å; Y355-L367 HydrophobicContact CG-CD1 3.53Å; D363-L367 WeakPolarHBondContact O-CD1 3.23Å; D363-L367 WeakPolarHBondContact O-CG 3.39Å; L364-L367 PolarHBondContact O-N 3.3Å; L367-H371 CarbonylContact O-C 3.59Å; L367-H371 WeakPolarHBondContact O-CA 3.23Å; L367-H371 WeakPolarHBondContact O-CB 3.18Å; L367-H371 PolarHBondContact O-N 2.86Å; L367-H371 VanDerWaalsContact O-N 3.15Å; L367-G372 PolarHBondContact O-N 3.43Å; L367-G372 VanDerWaalsContact O-N 3.09Å; L367-W373 HydrophobicContact CB-CB 4.39Å; L367-W373 HydrophobicContact CD1-CE3 3.86Å; L367-W373 HydrophobicContact CD1-CZ3 4.17Å; L367-W373 HydrophobicContact CD2-CD2 4.11Å; L367-W373 HydrophobicContact CD2-CE3 3.57Å; L367-W373 HydrophobicContact CD2-CZ3 3.77Å; L367-W373 HydrophobicContact CG-CE3 4.2Å; L367-W373 PolarHBondContact O-N 3.31Å; L367-T375 HydrophobicContact CB-CG2 4.15Å
368	M	75.3	Confident	84.2	Confident	54 Å²	54	29.3 Å²	29.3	27%	0.266	14%	0.141	S	C	.	.	I	π-helix	trans	-73.2	-46	178.6	-176	172.8	161.2	0	0	111.7	L364 D366 T375 R464 F465	L364-M368 PolarHBondContact O-N 3.11Å; L364-M368 VanDerWaalsContact O-N 3.14Å; D366-M368 PolarHBondContact O-N 3.37Å; M368-T375 HydrophobicContact CB-CG2 4.28Å; M368-R464 WeakPolarHBondContact CE-O 3.49Å; M368-F465 VanDerWaalsContact SD-C 3.53Å; M368-F465 VanDerWaalsContact SD-CA 3.59Å
369	L	74.6	Confident	84.3	Confident	94 Å²	94	29 Å²	29	49%	0.492	14%	0.14	S	C	.	.	I	π-helix	trans	-73.4	-29.3	-173.5	-68.8	175.1	0	0	0	114.2	A365 F465	A365-L369 WeakPolarHBondContact O-CB 3.41Å; A365-L369 WeakPolarHBondContact O-CG 3.39Å; A365-L369 PolarHBondContact O-N 3.32Å; L369-F465 HydrophobicContact CD1-CD1 4.44Å; L369-F465 HydrophobicContact CD1-CE1 3.83Å; L369-F465 HydrophobicContact CD2-CE1 4.45Å; L369-F465 HydrophobicContact CG-CD1 4.45Å; L369-F465 HydrophobicContact CG-CE1 4.24Å
370	R	72.4	Confident	84.6	Confident	156 Å²	156	29.3 Å²	29.3	59%	0.589	15%	0.145	S	C	*	.	I	π-helix	trans	-118.2	-24.2	-171.4	-55.9	-177.3	-169.6	-125.1	2.6	114.3	D366	D366-R370 VanDerWaalsContact O-CB 3.31Å; D366-R370 WeakPolarHBondContact O-CB 3.29Å; D366-R370 PolarHBondContact O-N 2.88Å; D366-R370 IonicContact OD1-CZ 3.4Å; D366-R370 IonicContact OD1-NE 3.57Å; D366-R370 PolarHBondContact OD1-NE 3.39Å; D366-R370 IonicContact OD1-NH2 3.43Å; D366-R370 PolarHBondContact OD1-NH2 3.13Å
371	H	75.3	Confident	85.2	Confident	38 Å²	38	31.3 Å²	31.3	18%	0.176	15%	0.154	C	C	.	.	I	π-helix	trans	-121	-8.2	-168.7	-58.5	-71.6	0	0	0	114.3	L339 D366 L367 W373	L339-H371 HydrophobicContact CD2-CB 4.33Å; L339-H371 WeakPolarHBondContact CD2-CD2 3.29Å; L339-H371 WeakPolarHBondContact CD2-NE2 3.46Å; D366-H371 PolarHBondContact O-CD2 3.31Å; L367-H371 CarbonylContact O-C 3.59Å; L367-H371 WeakPolarHBondContact O-CA 3.23Å; L367-H371 WeakPolarHBondContact O-CB 3.18Å; L367-H371 PolarHBondContact O-N 2.86Å; L367-H371 VanDerWaalsContact O-N 3.15Å; H371-W373 PolarHBondContact O-N 2.99Å
372	G	81.3	Confident	86	Confident	42 Å²	42	26.9 Å²	26.9	43%	0.433	14%	0.137	S	C	.	.			trans	65	22.2	174.9	0	0	0	0	0	113.9	G350 L367	G350-G372 CarbonylContact C-O 3.5Å; G350-G372 VanDerWaalsContact C-O 3.23Å; L367-G372 PolarHBondContact O-N 3.43Å; L367-G372 VanDerWaalsContact O-N 3.09Å
373	W	90.4	Very high	86.8	Confident	4 Å²	4	28.3 Å²	28.3	2%	0.015	14%	0.142	C	C	.	.			trans	-72.2	151.3	169.1	-73.6	10.2	0	0	0	109.9	F265 L339 F342 L343 V353 Y355 L367 H371	F265-W373 HydrophobicContact CE2-CH2 4.1Å; F265-W373 AromaticContact CE2-CZ3 3.99Å; F265-W373 HydrophobicContact CE2-CZ3 3.99Å; F265-W373 HydrophobicContact CZ-CE3 4.41Å; F265-W373 AromaticContact CZ-CH2 3.64Å; F265-W373 HydrophobicContact CZ-CH2 3.64Å; F265-W373 AromaticContact CZ-CZ3 3.5Å; F265-W373 HydrophobicContact CZ-CZ3 3.5Å; L339-W373 HydrophobicContact CD1-CH2 3.68Å; L339-W373 HydrophobicContact CD1-CZ2 3.83Å; L339-W373 HydrophobicContact CD1-CZ3 4.4Å; F342-W373 HydrophobicContact CD1-CH2 4.04Å; F342-W373 HydrophobicContact CD1-CZ2 4.18Å; F342-W373 AromaticContact CE1-CH2 3.58Å; F342-W373 HydrophobicContact CE1-CH2 3.58Å; F342-W373 AromaticContact CE1-CZ2 3.88Å; F342-W373 HydrophobicContact CE1-CZ2 3.88Å; F342-W373 HydrophobicContact CZ-CH2 4.49Å; L343-W373 HydrophobicContact CD2-CZ2 3.55Å; V353-W373 HydrophobicContact CB-CD2 3.95Å; V353-W373 HydrophobicContact CB-CE3 4.49Å; V353-W373 HydrophobicContact CB-CG 3.96Å; V353-W373 HydrophobicContact CG1-CD2 3.63Å; V353-W373 HydrophobicContact CG1-CE3 3.7Å; V353-W373 HydrophobicContact CG1-CG 4.14Å; V353-W373 HydrophobicContact CG1-CH2 4.22Å; V353-W373 HydrophobicContact CG1-CZ2 4.1Å; V353-W373 HydrophobicContact CG1-CZ3 4.04Å; Y355-W373 HydrophobicContact CD2-CZ3 4.2Å; L367-W373 HydrophobicContact CB-CB 4.39Å; L367-W373 HydrophobicContact CD1-CE3 3.86Å; L367-W373 HydrophobicContact CD1-CZ3 4.17Å; L367-W373 HydrophobicContact CD2-CD2 4.11Å; L367-W373 HydrophobicContact CD2-CE3 3.57Å; L367-W373 HydrophobicContact CD2-CZ3 3.77Å; L367-W373 HydrophobicContact CG-CE3 4.2Å; L367-W373 PolarHBondContact O-N 3.31Å; H371-W373 PolarHBondContact O-N 2.99Å
374	R	95	Very high	87.7	Confident	53 Å²	53	36.1 Å²	36.1	20%	0.2	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	147.7	167.3	-49	-59.1	-93.1	152.9	-5.6	109.2	E61 I62 P351 V353 L354 Y355 D467	E61-R374 PolarHBondContact O-NH2 3.3Å; I62-R374 HydrophobicContact CD1-CB 4.05Å; I62-R374 HydrophobicContact CD1-CG 4.36Å; I62-R374 VanDerWaalsContact CG1-CZ 3.49Å; P351-R374 HydrophobicContact CB-CG 4.29Å; P351-R374 VanDerWaalsContact O-CG 3.27Å; P351-R374 WeakPolarHBondContact O-CG 3.27Å; V353-R374 WeakPolarHBondContact O-CB 3.25Å; V353-R374 PolarHBondContact O-N 2.76Å; L354-R374 WeakPolarHBondContact CA-O 3.34Å; L354-R374 HydrophobicContact CB-CB 4.34Å; L354-R374 HydrophobicContact CD1-CB 3.66Å; Y355-R374 PolarHBondContact N-O 2.85Å; R374-D467 WeakPolarHBondContact CA-OD2 3.4Å; R374-D467 IonicContact CZ-OD1 3.91Å; R374-D467 IonicContact CZ-OD2 2.93Å; R374-D467 IonicContact NE-OD2 3.63Å; R374-D467 IonicContact NH1-OD1 2.61Å; R374-D467 PolarHBondContact NH1-OD1 3.09Å; R374-D467 IonicContact NH1-OD2 3.5Å; R374-D467 PolarHBondContact NH1-OD2 3.41Å; R374-D467 VanDerWaalsContact NH1-OD2 3.13Å; R374-D467 IonicContact NH2-OD1 3.48Å
375	T	96	Very high	88.3	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	138.4	-176.4	50.3	0	0	0	0	112.5	Y355 L364 L367 M368 F465 S466 D467 L468	Y355-T375 CarbonylContact O-C 3.55Å; Y355-T375 WeakPolarHBondContact O-CA 3.36Å; L364-T375 HydrophobicContact CB-CG2 4.18Å; L364-T375 HydrophobicContact CD2-CG2 4.18Å; L367-T375 HydrophobicContact CB-CG2 4.15Å; M368-T375 HydrophobicContact CB-CG2 4.28Å; T375-F465 WeakPolarHBondContact CB-O 3.18Å; T375-F465 PolarHBondContact OG1-O 2.84Å; T375-S466 VanDerWaalsContact OG1-CA 3.32Å; T375-S466 WeakPolarHBondContact OG1-CA 3.1Å; T375-D467 PolarHBondContact N-OD2 3.09Å; T375-D467 VanDerWaalsContact N-OD2 3.13Å; T375-D467 PolarHBondContact O-N 3.09Å; T375-L468 PolarHBondContact O-N 2.7Å; T375-L468 VanDerWaalsContact O-N 3.11Å
376	G	97	Very high	89	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.5	174.7	0	0	0	0	0	111.2	Y355 F356 G357 L468	Y355-G376 PolarHBondContact O-N 3.2Å; F356-G376 VanDerWaalsContact CA-O 3.27Å; F356-G376 WeakPolarHBondContact CA-O 3.33Å; G357-G376 PolarHBondContact N-O 2.85Å; G357-G376 VanDerWaalsContact N-O 3.12Å; G376-L468 CarbonylContact C-O 3.26Å; G376-L468 VanDerWaalsContact CA-O 3.28Å; G376-L468 WeakPolarHBondContact CA-O 3.25Å
377	A	97.1	Very high	89.8	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	130.7	176.8	0	0	0	0	0	112	G357 L360 L364 I379 L462 L468 Y469 M470	G357-A377 WeakPolarHBondContact O-CA 3.25Å; L360-A377 HydrophobicContact CD2-CB 3.73Å; L364-A377 HydrophobicContact CD1-CB 3.79Å; A377-I379 HydrophobicContact CB-CD1 4.13Å; A377-I379 HydrophobicContact CB-CG1 4.2Å; A377-L462 HydrophobicContact CB-CD1 3.51Å; A377-L468 PolarHBondContact N-O 3.36Å; A377-Y469 VanDerWaalsContact O-CA 3.27Å; A377-Y469 WeakPolarHBondContact O-CA 3.44Å; A377-M470 PolarHBondContact O-N 3.06Å
378	I	97.1	Very high	90.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	110.6	171.8	-54.3	-55.4	0	0	0	109.1	Y76 T77 F356 G357 D358 M470 L473	Y76-I378 WeakPolarHBondContact O-CG2 3.45Å; T77-I378 HydrophobicContact CG2-CG1 4.15Å; F356-I378 HydrophobicContact CD1-CD1 4.08Å; G357-I378 PolarHBondContact O-N 3.32Å; D358-I378 WeakPolarHBondContact CA-O 3.4Å; I378-M470 HydrophobicContact CD1-CG 3.62Å; I378-M470 HydrophobicContact CD1-SD 4.01Å; I378-L473 HydrophobicContact CD1-CB 4.45Å; I378-L473 HydrophobicContact CD1-CD1 4.43Å
379	I	96.4	Very high	91.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.203	C	C	.	.			trans	-124.7	84.2	-175.4	-48.7	-59.5	0	0	0	109.3	L360 A377 E381 L382 I448 F449 F458 L462 M470 A471	L360-I379 HydrophobicContact CD2-CD1 4.39Å; A377-I379 HydrophobicContact CB-CD1 4.13Å; A377-I379 HydrophobicContact CB-CG1 4.2Å; I379-E381 WeakPolarHBondContact CG2-OE2 3.48Å; I379-E381 PolarHBondContact O-N 2.9Å; I379-E381 VanDerWaalsContact O-N 3.11Å; I379-L382 HydrophobicContact CB-CB 4.5Å; I379-L382 WeakPolarHBondContact O-CB 3.28Å; I379-L382 PolarHBondContact O-N 2.93Å; I379-I448 HydrophobicContact CG2-CD1 3.9Å; I379-F449 HydrophobicContact CG2-CE1 4.28Å; I379-F449 HydrophobicContact CG2-CZ 3.83Å; I379-F458 HydrophobicContact CD1-CZ 3.97Å; I379-F458 HydrophobicContact CG2-CE1 4.5Å; I379-F458 HydrophobicContact CG2-CZ 4.46Å; I379-L462 HydrophobicContact CD1-CD1 4.26Å; I379-L462 HydrophobicContact CG1-CD1 4.11Å; I379-M470 PolarHBondContact N-O 3.27Å; I379-A471 WeakPolarHBondContact O-CA 3.39Å
380	P	95	Very high	92.2	Very high	39 Å²	39	41.2 Å²	41.2	25%	0.253	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-34.4	-175.7	-27.6	35.8	0	0	0	114.5	I187 L382 E383 A471	I187-P380 HydrophobicContact CD1-CG 4.03Å; P380-L382 PolarHBondContact O-N 3.41Å; P380-L382 VanDerWaalsContact O-N 3.11Å; P380-E383 PolarHBondContact O-N 3.47Å; P380-A471 WeakPolarHBondContact CA-O 3.48Å
381	E	95.3	Very high	93.1	Very high	41 Å²	41	36.4 Å²	36.4	19%	0.192	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-21.9	-179.6	-57	94.8	143.9	0	0	113.2	R119 I379 E383 R384 E385 I448	R119-E381 WeakPolarHBondContact CB-OE1 3.15Å; R119-E381 WeakPolarHBondContact CD-OE1 3.3Å; I379-E381 WeakPolarHBondContact CG2-OE2 3.48Å; I379-E381 PolarHBondContact O-N 2.9Å; I379-E381 VanDerWaalsContact O-N 3.11Å; E381-E383 VanDerWaalsContact C-N 3.27Å; E381-E383 PolarHBondContact O-N 3.19Å; E381-R384 PolarHBondContact O-N 3.37Å; E381-E385 PolarHBondContact O-N 2.95Å; E381-E385 VanDerWaalsContact O-N 3.08Å; E381-I448 HydrophobicContact CB-CD1 3.7Å; E381-I448 HydrophobicContact CB-CG1 4.49Å; E381-I448 HydrophobicContact CG-CD1 4.4Å
382	L	95.7	Very high	93.8	Very high	11 Å²	11	41.2 Å²	41.2	6%	0.058	20%	0.198	C	C	.	.	H	α-helix	trans	-58	-38.1	178.6	-176.6	65.4	0	0	0	112.3	Y57 I379 P380 R384 E385 I386 F449 Y469 A471	Y57-L382 HydrophobicContact CD2-CD2 3.79Å; Y57-L382 HydrophobicContact CE2-CD2 3.86Å; I379-L382 HydrophobicContact CB-CB 4.5Å; I379-L382 WeakPolarHBondContact O-CB 3.28Å; I379-L382 PolarHBondContact O-N 2.93Å; P380-L382 PolarHBondContact O-N 3.41Å; P380-L382 VanDerWaalsContact O-N 3.11Å; L382-R384 PolarHBondContact O-N 2.89Å; L382-E385 PolarHBondContact O-N 2.87Å; L382-I386 HydrophobicContact CD1-CD1 3.99Å; L382-I386 HydrophobicContact CD1-CG1 4.24Å; L382-I386 HydrophobicContact CD2-CD1 4.32Å; L382-I386 HydrophobicContact CG-CD1 3.69Å; L382-I386 HydrophobicContact CG-CG1 4.36Å; L382-I386 WeakPolarHBondContact O-CD1 3.42Å; L382-I386 VanDerWaalsContact O-CG1 3.27Å; L382-I386 WeakPolarHBondContact O-CG1 3.37Å; L382-I386 PolarHBondContact O-N 2.91Å; L382-F449 HydrophobicContact CB-CE2 4.39Å; L382-F449 HydrophobicContact CB-CZ 4.21Å; L382-F449 HydrophobicContact CD1-CE2 3.62Å; L382-F449 HydrophobicContact CD1-CZ 3.74Å; L382-Y469 HydrophobicContact CD1-CE2 4.21Å; L382-Y469 HydrophobicContact CD2-CD2 3.84Å; L382-Y469 HydrophobicContact CD2-CE2 4.03Å; L382-A471 HydrophobicContact CB-CB 4.26Å
383	E	94.3	Very high	94.3	Very high	48 Å²	48	44.4 Å²	44.4	22%	0.224	20%	0.202	C	C	.	.	H	α-helix	trans	-61.3	-45.3	179.6	171.9	163.2	-155.1	0	0	111.2	P53 R246 P380 E381 R387 A471	P53-E383 HydrophobicContact CB-CB 4.47Å; P53-E383 HydrophobicContact CB-CG 3.96Å; R246-E383 IonicContact NH2-OE2 2.75Å; R246-E383 PolarHBondContact NH2-OE2 3.45Å; P380-E383 PolarHBondContact O-N 3.47Å; E381-E383 VanDerWaalsContact C-N 3.27Å; E381-E383 PolarHBondContact O-N 3.19Å; E383-R387 VanDerWaalsContact O-CG 3.31Å; E383-R387 WeakPolarHBondContact O-CG 3.07Å; E383-R387 PolarHBondContact O-N 3.23Å; E383-R387 VanDerWaalsContact O-N 3.14Å; E383-R387 IonicContact OE1-CZ 3.48Å; E383-R387 IonicContact OE1-NE 2.68Å; E383-R387 IonicContact OE1-NH2 3.18Å; E383-R387 PolarHBondContact OE1-NH2 3.11Å; E383-A471 HydrophobicContact CB-CB 3.81Å
384	R	94.5	Very high	94.4	Very high	165 Å²	165	45.5 Å²	45.5	62%	0.623	21%	0.206	S	C	*	.	H	α-helix	trans	-65.7	-43.2	177	-177.2	177.6	176.1	171.2	-1.6	111.5	E381 L382 I386 R387 I388	E381-R384 PolarHBondContact O-N 3.37Å; L382-R384 PolarHBondContact O-N 2.89Å; R384-I386 PolarHBondContact O-N 3.03Å; R384-R387 PolarHBondContact O-N 3.35Å; R384-I388 HydrophobicContact CG-CD1 4.05Å; R384-I388 WeakPolarHBondContact O-CG1 3.38Å; R384-I388 PolarHBondContact O-N 3.37Å; R384-I388 VanDerWaalsContact O-N 3.08Å
385	E	95.5	Very high	94	Very high	13 Å²	13	45.5 Å²	45.5	6%	0.061	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-44.9	177.9	-72.8	-125.7	-179.4	0	0	112.2	E381 L382 R387 I388 I389 F441 S447 I448 F449	E381-E385 PolarHBondContact O-N 2.95Å; E381-E385 VanDerWaalsContact O-N 3.08Å; L382-E385 PolarHBondContact O-N 2.87Å; E385-R387 VanDerWaalsContact C-N 3.33Å; E385-R387 PolarHBondContact O-N 3.35Å; E385-I388 PolarHBondContact O-N 2.99Å; E385-I389 VanDerWaalsContact O-CG1 3.25Å; E385-I389 WeakPolarHBondContact O-CG1 3.36Å; E385-I389 PolarHBondContact O-N 2.88Å; E385-F441 HydrophobicContact CB-CD1 4.47Å; E385-F441 HydrophobicContact CB-CE1 4.02Å; E385-F441 HydrophobicContact CG-CD1 4.01Å; E385-F441 HydrophobicContact CG-CE1 3.99Å; E385-F441 WeakPolarHBondContact OE2-CE1 3.46Å; E385-S447 WeakPolarHBondContact OE1-CA 3.46Å; E385-S447 WeakPolarHBondContact OE1-CB 3.13Å; E385-S447 PolarHBondContact OE1-OG 3.39Å; E385-S447 WeakPolarHBondContact OE2-CB 3.21Å; E385-S447 PolarHBondContact OE2-OG 3.18Å; E385-I448 HydrophobicContact CG-CG1 4.42Å; E385-I448 WeakPolarHBondContact OE1-CG1 3.37Å; E385-I448 PolarHBondContact OE1-N 2.99Å; E385-F449 HydrophobicContact CB-CD2 4.49Å; E385-F449 HydrophobicContact CB-CE2 4.31Å; E385-F449 HydrophobicContact CG-CD2 4.15Å; E385-F449 HydrophobicContact CG-CE2 4.04Å; E385-F449 WeakPolarHBondContact OE2-CD2 3.33Å
386	I	94.8	Very high	93.6	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-42.2	178.5	-69.1	163.5	0	0	0	110.9	L51 P53 Y57 L382 R384 I388 I389 N390	L51-I386 HydrophobicContact CB-CG2 3.7Å; L51-I386 WeakPolarHBondContact O-CG2 3.38Å; P53-I386 HydrophobicContact CB-CB 4.46Å; P53-I386 HydrophobicContact CB-CG2 4.26Å; P53-I386 HydrophobicContact CG-CB 4.5Å; P53-I386 HydrophobicContact CG-CG2 3.9Å; Y57-I386 HydrophobicContact CE2-CD1 3.67Å; Y57-I386 WeakPolarHBondContact OH-CD1 3.33Å; L382-I386 HydrophobicContact CD1-CD1 3.99Å; L382-I386 HydrophobicContact CD1-CG1 4.24Å; L382-I386 HydrophobicContact CD2-CD1 4.32Å; L382-I386 HydrophobicContact CG-CD1 3.69Å; L382-I386 HydrophobicContact CG-CG1 4.36Å; L382-I386 WeakPolarHBondContact O-CD1 3.42Å; L382-I386 VanDerWaalsContact O-CG1 3.27Å; L382-I386 WeakPolarHBondContact O-CG1 3.37Å; L382-I386 PolarHBondContact O-N 2.91Å; R384-I386 PolarHBondContact O-N 3.03Å; I386-I388 VanDerWaalsContact C-N 3.28Å; I386-I388 PolarHBondContact O-N 2.86Å; I386-I389 PolarHBondContact O-N 3.48Å; I386-N390 WeakPolarHBondContact O-CB 3.44Å; I386-N390 VanDerWaalsContact O-CG 3.29Å; I386-N390 PolarHBondContact O-N 2.94Å; I386-N390 PolarHBondContact O-ND2 3.36Å
387	R	94.6	Very high	93.3	Very high	150 Å²	150	49.9 Å²	49.9	57%	0.566	23%	0.231	S	C	*	.	H	α-helix	trans	-58.9	-40.9	175.9	-70.9	172.5	-173.7	-166.3	2.5	111.7	P53 E383 R384 E385	P53-R387 HydrophobicContact CG-CG 4.24Å; E383-R387 VanDerWaalsContact O-CG 3.31Å; E383-R387 WeakPolarHBondContact O-CG 3.07Å; E383-R387 PolarHBondContact O-N 3.23Å; E383-R387 VanDerWaalsContact O-N 3.14Å; E383-R387 IonicContact OE1-CZ 3.48Å; E383-R387 IonicContact OE1-NE 2.68Å; E383-R387 IonicContact OE1-NH2 3.18Å; E383-R387 PolarHBondContact OE1-NH2 3.11Å; R384-R387 PolarHBondContact O-N 3.35Å; E385-R387 VanDerWaalsContact C-N 3.33Å; E385-R387 PolarHBondContact O-N 3.35Å
388	I	94.8	Very high	92.8	Very high	25 Å²	25	52.5 Å²	52.5	13%	0.128	25%	0.245	C	C	.	.	H	α-helix	trans	-67.5	-44.9	176.1	-65.8	161.2	0	0	0	111	R384 E385 I386 N390 T391 Y394 L440 F441	R384-I388 HydrophobicContact CG-CD1 4.05Å; R384-I388 WeakPolarHBondContact O-CG1 3.38Å; R384-I388 PolarHBondContact O-N 3.37Å; R384-I388 VanDerWaalsContact O-N 3.08Å; E385-I388 PolarHBondContact O-N 2.99Å; I386-I388 VanDerWaalsContact C-N 3.28Å; I386-I388 PolarHBondContact O-N 2.86Å; I388-N390 PolarHBondContact O-N 2.75Å; I388-T391 WeakPolarHBondContact O-CB 3.32Å; I388-T391 WeakPolarHBondContact O-CG2 3.39Å; I388-T391 PolarHBondContact O-N 3.44Å; I388-T391 PolarHBondContact O-OG1 3.39Å; I388-Y394 WeakPolarHBondContact O-CB 3.23Å; I388-L440 WeakPolarHBondContact CD1-O 3.44Å; I388-L440 HydrophobicContact CG2-CB 3.9Å; I388-F441 HydrophobicContact CB-CD1 4.26Å; I388-F441 HydrophobicContact CB-CE1 3.99Å; I388-F441 HydrophobicContact CD1-CD1 3.71Å; I388-F441 HydrophobicContact CD1-CE1 4.26Å; I388-F441 HydrophobicContact CD1-CG 4.33Å; I388-F441 HydrophobicContact CG2-CD1 4.09Å; I388-F441 HydrophobicContact CG2-CE1 3.86Å; I388-F441 HydrophobicContact CG2-CE2 4.32Å; I388-F441 HydrophobicContact CG2-CG 4.41Å; I388-F441 HydrophobicContact CG2-CZ 3.99Å
389	I	92.9	Very high	92.3	Very high	45 Å²	45	55.4 Å²	55.4	23%	0.231	26%	0.263	C	S	.	.	H	α-helix	trans	-59.7	-35.8	179.2	-71	163.7	0	0	0	111.5	L51 E385 I386 T391 Y394 M395 F441	L51-I389 HydrophobicContact CD1-CG2 4.12Å; E385-I389 VanDerWaalsContact O-CG1 3.25Å; E385-I389 WeakPolarHBondContact O-CG1 3.36Å; E385-I389 PolarHBondContact O-N 2.88Å; I386-I389 PolarHBondContact O-N 3.48Å; I389-T391 PolarHBondContact O-N 3.33Å; I389-Y394 HydrophobicContact CB-CD1 4.15Å; I389-Y394 HydrophobicContact CB-CE1 4.12Å; I389-Y394 HydrophobicContact CG1-CD1 4.26Å; I389-Y394 HydrophobicContact CG1-CE1 3.85Å; I389-Y394 HydrophobicContact CG2-CD1 4.11Å; I389-Y394 HydrophobicContact CG2-CE1 3.92Å; I389-Y394 WeakPolarHBondContact O-CD1 3.48Å; I389-M395 WeakPolarHBondContact O-CG 3.42Å; I389-F441 HydrophobicContact CG1-CE1 4.31Å; I389-F441 HydrophobicContact CG1-CZ 3.95Å
390	N	90.7	Very high	91.9	Very high	32 Å²	32	59 Å²	59	17%	0.171	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-4.2	177.7	-76.9	-14.8	0	0	0	114.3	L50 L51 I386 I388 M395	L50-N390 HydrophobicContact CD2-CB 3.94Å; L51-N390 PolarHBondContact N-OD1 3.19Å; L51-N390 PolarHBondContact O-ND2 2.79Å; I386-N390 WeakPolarHBondContact O-CB 3.44Å; I386-N390 VanDerWaalsContact O-CG 3.29Å; I386-N390 PolarHBondContact O-N 2.94Å; I386-N390 PolarHBondContact O-ND2 3.36Å; I388-N390 PolarHBondContact O-N 2.75Å; N390-M395 WeakPolarHBondContact O-CE 3.37Å
391	T	91.6	Very high	91.6	Very high	55 Å²	55	58 Å²	58	34%	0.337	27%	0.268	S	S	.	.	S	Bend	trans	-73.3	143.3	176.1	64.8	0	0	0	0	111	I388 I389 Q393 Y394 M395	I388-T391 WeakPolarHBondContact O-CB 3.32Å; I388-T391 WeakPolarHBondContact O-CG2 3.39Å; I388-T391 PolarHBondContact O-N 3.44Å; I388-T391 PolarHBondContact O-OG1 3.39Å; I389-T391 PolarHBondContact O-N 3.33Å; T391-Q393 PolarHBondContact O-N 2.88Å; T391-Y394 PolarHBondContact O-N 2.86Å; T391-Y394 WeakPolarHBondContact OG1-CB 3.17Å; T391-Y394 PolarHBondContact OG1-N 2.75Å; T391-M395 WeakPolarHBondContact O-CG 3.29Å; T391-M395 PolarHBondContact O-N 2.81Å
392	E	89.8	Confident	91.2	Very high	139 Å²	139	62 Å²	62	65%	0.65	29%	0.287	S	S	*	.	H	α-helix	trans	-55.7	-40.4	175.1	-66.9	-175.9	177.9	0	0	111.7	Y394 M395 H396	E392-Y394 PolarHBondContact O-N 2.82Å; E392-M395 PolarHBondContact O-N 3.48Å; E392-H396 WeakPolarHBondContact O-CB 3.46Å; E392-H396 VanDerWaalsContact O-CG 3.26Å; E392-H396 PolarHBondContact O-N 3.42Å; E392-H396 PolarHBondContact O-ND1 2.94Å
393	Q	92.4	Very high	90.7	Very high	109 Å²	109	63.5 Å²	63.5	51%	0.509	30%	0.301	S	S	.	.	H	α-helix	trans	-59.9	-46.1	179	-171.4	179.9	9	0	0	112.3	T391 S397 L440	T391-Q393 PolarHBondContact O-N 2.88Å; Q393-S397 VanDerWaalsContact O-CB 3.24Å; Q393-S397 WeakPolarHBondContact O-CB 3.44Å; Q393-S397 PolarHBondContact O-N 3.31Å; Q393-S397 VanDerWaalsContact O-N 3.07Å; Q393-S397 PolarHBondContact O-OG 3.11Å; Q393-L440 HydrophobicContact CG-CD1 4.24Å; Q393-L440 HydrophobicContact CG-CD2 4.34Å
394	Y	91.2	Very high	90.4	Very high	26 Å²	26	61.2 Å²	61.2	10%	0.102	29%	0.29	C	S	.	.	H	α-helix	trans	-65	-48.4	177.3	-177.7	-92.8	0	0	0	110.9	I388 I389 T391 E392 S397 L398 L440 F441	I388-Y394 WeakPolarHBondContact O-CB 3.23Å; I389-Y394 HydrophobicContact CB-CD1 4.15Å; I389-Y394 HydrophobicContact CB-CE1 4.12Å; I389-Y394 HydrophobicContact CG1-CD1 4.26Å; I389-Y394 HydrophobicContact CG1-CE1 3.85Å; I389-Y394 HydrophobicContact CG2-CD1 4.11Å; I389-Y394 HydrophobicContact CG2-CE1 3.92Å; I389-Y394 WeakPolarHBondContact O-CD1 3.48Å; T391-Y394 PolarHBondContact O-N 2.86Å; T391-Y394 WeakPolarHBondContact OG1-CB 3.17Å; T391-Y394 PolarHBondContact OG1-N 2.75Å; E392-Y394 PolarHBondContact O-N 2.82Å; Y394-S397 PolarHBondContact O-N 3.01Å; Y394-L398 HydrophobicContact CE1-CB 4.43Å; Y394-L398 HydrophobicContact CE1-CD2 3.77Å; Y394-L398 WeakPolarHBondContact O-CB 3.38Å; Y394-L398 PolarHBondContact O-N 2.89Å; Y394-L440 HydrophobicContact CD2-CD1 4.03Å; Y394-L440 HydrophobicContact CG-CD1 4.49Å; Y394-F441 HydrophobicContact CD2-CE2 4.07Å; Y394-F441 HydrophobicContact CD2-CZ 4.29Å; Y394-F441 AromaticContact CE2-CE2 3.57Å; Y394-F441 HydrophobicContact CE2-CE2 3.57Å; Y394-F441 AromaticContact CE2-CZ 3.82Å; Y394-F441 HydrophobicContact CE2-CZ 3.82Å
395	M	87.3	Confident	90.2	Very high	53 Å²	53	55 Å²	55	26%	0.261	27%	0.271	S	S	.	.	H	α-helix	trans	-59.6	-52.1	-178.1	-68.9	-172.5	-68	0	0	111.6	L50 I389 N390 T391 E392 S397 L398 T399	L50-M395 HydrophobicContact CD2-CE 4.37Å; I389-M395 WeakPolarHBondContact O-CG 3.42Å; N390-M395 WeakPolarHBondContact O-CE 3.37Å; T391-M395 WeakPolarHBondContact O-CG 3.29Å; T391-M395 PolarHBondContact O-N 2.81Å; E392-M395 PolarHBondContact O-N 3.48Å; M395-S397 PolarHBondContact O-N 3.1Å; M395-L398 PolarHBondContact O-N 2.86Å; M395-T399 WeakPolarHBondContact O-CB 3.38Å; M395-T399 PolarHBondContact O-N 2.87Å; M395-T399 PolarHBondContact O-OG1 3.36Å; M395-T399 VanDerWaalsContact O-OG1 3.04Å
396	H	87.6	Confident	89.8	Confident	77 Å²	77	55.5 Å²	55.5	36%	0.356	28%	0.279	S	S	.	.	H	α-helix	trans	-60.2	-46	178.2	-67.6	162.8	0	0	0	112.1	E392 L398 T399 W400	E392-H396 WeakPolarHBondContact O-CB 3.46Å; E392-H396 VanDerWaalsContact O-CG 3.26Å; E392-H396 PolarHBondContact O-N 3.42Å; E392-H396 PolarHBondContact O-ND1 2.94Å; H396-L398 VanDerWaalsContact C-N 3.34Å; H396-L398 PolarHBondContact O-N 3.16Å; H396-T399 PolarHBondContact O-N 3.15Å; H396-W400 WeakPolarHBondContact O-CB 3.4Å; H396-W400 PolarHBondContact O-N 3.17Å
397	S	90.2	Very high	89.4	Confident	16 Å²	16	57.1 Å²	57.1	11%	0.112	29%	0.287	C	S	.	.	H	α-helix	trans	-63.3	-41.4	-179.2	-57.6	0	0	0	0	111.8	Q393 Y394 M395 Q401 T437	Q393-S397 VanDerWaalsContact O-CB 3.24Å; Q393-S397 WeakPolarHBondContact O-CB 3.44Å; Q393-S397 PolarHBondContact O-N 3.31Å; Q393-S397 VanDerWaalsContact O-N 3.07Å; Q393-S397 PolarHBondContact O-OG 3.11Å; Y394-S397 PolarHBondContact O-N 3.01Å; M395-S397 PolarHBondContact O-N 3.1Å; S397-Q401 VanDerWaalsContact O-CB 3.28Å; S397-Q401 WeakPolarHBondContact O-CB 3.32Å; S397-Q401 PolarHBondContact O-N 3.41Å; S397-T437 VanDerWaalsContact CB-CG2 3.41Å
398	L	88.2	Confident	89.3	Confident	55 Å²	55	51.1 Å²	51.1	29%	0.288	27%	0.267	S	S	.	.	H	α-helix	trans	-68.5	-45.9	178.7	-179.6	62.6	0	0	0	111.7	Y394 M395 H396 W400 Q401 Q402	Y394-L398 HydrophobicContact CE1-CB 4.43Å; Y394-L398 HydrophobicContact CE1-CD2 3.77Å; Y394-L398 WeakPolarHBondContact O-CB 3.38Å; Y394-L398 PolarHBondContact O-N 2.89Å; M395-L398 PolarHBondContact O-N 2.86Å; H396-L398 VanDerWaalsContact C-N 3.34Å; H396-L398 PolarHBondContact O-N 3.16Å; L398-W400 VanDerWaalsContact C-N 3.31Å; L398-W400 PolarHBondContact O-N 3.49Å; L398-Q401 PolarHBondContact O-N 3.02Å; L398-Q402 WeakPolarHBondContact O-CG 3.41Å; L398-Q402 PolarHBondContact O-N 3.09Å
399	T	85.6	Confident	89	Confident	61 Å²	61	56 Å²	56	37%	0.374	29%	0.289	S	S	.	.	H	α-helix	trans	-59.9	-44.4	177.1	-61.3	0	0	0	0	110.9	L43 M395 H396 Q402 A403	L43-T399 HydrophobicContact CD2-CG2 4.09Å; M395-T399 WeakPolarHBondContact O-CB 3.38Å; M395-T399 PolarHBondContact O-N 2.87Å; M395-T399 PolarHBondContact O-OG1 3.36Å; M395-T399 VanDerWaalsContact O-OG1 3.04Å; H396-T399 PolarHBondContact O-N 3.15Å; T399-Q402 WeakPolarHBondContact O-CB 3.47Å; T399-Q402 PolarHBondContact O-N 3.08Å; T399-A403 PolarHBondContact O-N 2.76Å
400	W	89.1	Confident	88.7	Confident	75 Å²	75	63 Å²	63	28%	0.284	31%	0.312	S	S	.	.	H	α-helix	trans	-65.5	-41.6	177.5	-176.7	-136.4	0	0	0	112.2	L21 H396 L398 Q402 A403 L404 E429 L433	L21-W400 HydrophobicContact CD2-CH2 4.2Å; L21-W400 HydrophobicContact CD2-CZ3 4.42Å; H396-W400 WeakPolarHBondContact O-CB 3.4Å; H396-W400 PolarHBondContact O-N 3.17Å; L398-W400 VanDerWaalsContact C-N 3.31Å; L398-W400 PolarHBondContact O-N 3.49Å; W400-Q402 VanDerWaalsContact C-N 3.26Å; W400-Q402 PolarHBondContact O-N 3.47Å; W400-A403 HydrophobicContact CE3-CB 3.81Å; W400-A403 HydrophobicContact CZ3-CB 4.05Å; W400-A403 PolarHBondContact O-N 2.87Å; W400-L404 HydrophobicContact CD2-CD1 4.34Å; W400-L404 HydrophobicContact CD2-CG 4.03Å; W400-L404 HydrophobicContact CE3-CG 4.46Å; W400-L404 HydrophobicContact CH2-CD2 3.81Å; W400-L404 HydrophobicContact CH2-CG 4.14Å; W400-L404 HydrophobicContact CZ2-CD1 4.12Å; W400-L404 HydrophobicContact CZ2-CD2 3.47Å; W400-L404 VanDerWaalsContact CZ2-CD2 3.47Å; W400-L404 HydrophobicContact CZ2-CG 3.69Å; W400-L404 PolarHBondContact O-N 3.48Å; W400-E429 PolarHBondContact NE1-OE1 2.77Å; W400-L433 HydrophobicContact CB-CD1 4.37Å; W400-L433 HydrophobicContact CG-CD1 4Å
401	Q	87.6	Confident	88.6	Confident	19 Å²	19	62.9 Å²	62.9	9%	0.089	31%	0.311	C	S	.	.	H	α-helix	trans	-59.3	-37	174.3	-169.7	-170.9	-47.2	0	0	112.3	S397 L398 T405 R430 L433	S397-Q401 VanDerWaalsContact O-CB 3.28Å; S397-Q401 WeakPolarHBondContact O-CB 3.32Å; S397-Q401 PolarHBondContact O-N 3.41Å; L398-Q401 PolarHBondContact O-N 3.02Å; Q401-T405 WeakPolarHBondContact O-CB 3.46Å; Q401-T405 PolarHBondContact O-N 3.3Å; Q401-T405 VanDerWaalsContact O-N 3.08Å; Q401-T405 PolarHBondContact O-OG1 3.37Å; Q401-R430 HydrophobicContact CG-CG 4.15Å; Q401-L433 HydrophobicContact CB-CB 4.38Å; Q401-L433 HydrophobicContact CB-CD1 4.25Å
402	Q	86.6	Confident	88.5	Confident	124 Å²	124	66 Å²	66	58%	0.579	32%	0.322	S	S	*	.	H	α-helix	trans	-68.9	-44.5	174.9	-72.8	176.1	-22.5	0	0	111.8	L398 T399 W400 T405 G406	L398-Q402 WeakPolarHBondContact O-CG 3.41Å; L398-Q402 PolarHBondContact O-N 3.09Å; T399-Q402 WeakPolarHBondContact O-CB 3.47Å; T399-Q402 PolarHBondContact O-N 3.08Å; W400-Q402 VanDerWaalsContact C-N 3.26Å; W400-Q402 PolarHBondContact O-N 3.47Å; Q402-T405 WeakPolarHBondContact O-CB 3.33Å; Q402-T405 PolarHBondContact O-N 2.91Å; Q402-G406 PolarHBondContact O-N 3.29Å
403	A	86.1	Confident	88.5	Confident	42 Å²	42	64.2 Å²	64.2	35%	0.347	32%	0.321	S	S	.	.	H	α-helix	trans	-59.8	-48	176.2	0	0	0	0	0	111.6	T399 W400 T405 G406 L407	T399-A403 PolarHBondContact O-N 2.76Å; W400-A403 HydrophobicContact CE3-CB 3.81Å; W400-A403 HydrophobicContact CZ3-CB 4.05Å; W400-A403 PolarHBondContact O-N 2.87Å; A403-T405 VanDerWaalsContact C-N 3.28Å; A403-T405 PolarHBondContact O-N 3.13Å; A403-G406 PolarHBondContact O-N 2.9Å; A403-L407 WeakPolarHBondContact O-CG 3.43Å; A403-L407 PolarHBondContact O-N 3.46Å
404	L	88.5	Confident	88.4	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.1	-39.9	174.4	-77.8	177.4	0	0	0	112.3	W400 L407 L408 W426 E429 R430 L433	W400-L404 HydrophobicContact CD2-CD1 4.34Å; W400-L404 HydrophobicContact CD2-CG 4.03Å; W400-L404 HydrophobicContact CE3-CG 4.46Å; W400-L404 HydrophobicContact CH2-CD2 3.81Å; W400-L404 HydrophobicContact CH2-CG 4.14Å; W400-L404 HydrophobicContact CZ2-CD1 4.12Å; W400-L404 HydrophobicContact CZ2-CD2 3.47Å; W400-L404 VanDerWaalsContact CZ2-CD2 3.47Å; W400-L404 HydrophobicContact CZ2-CG 3.69Å; W400-L404 PolarHBondContact O-N 3.48Å; L404-L407 PolarHBondContact O-N 3.06Å; L404-L408 WeakPolarHBondContact O-CB 3.32Å; L404-L408 VanDerWaalsContact O-CG 3.25Å; L404-L408 WeakPolarHBondContact O-CG 3.49Å; L404-L408 PolarHBondContact O-N 3.03Å; L404-W426 HydrophobicContact CD2-CB 4.03Å; L404-W426 HydrophobicContact CD2-CD2 4.37Å; L404-W426 HydrophobicContact CD2-CG 3.79Å; L404-E429 HydrophobicContact CD1-CB 4.26Å; L404-E429 HydrophobicContact CD1-CG 3.96Å; L404-R430 HydrophobicContact CD1-CB 4.2Å; L404-L433 HydrophobicContact CD1-CD1 3.66Å
405	T	89.5	Confident	88.2	Confident	35 Å²	35	66.4 Å²	66.4	22%	0.215	33%	0.33	C	S	.	.	H	α-helix	trans	-63.1	-46.5	177.2	-57	0	0	0	0	110.9	Q401 Q402 A403 L407 L408 E409 R430	Q401-T405 WeakPolarHBondContact O-CB 3.46Å; Q401-T405 PolarHBondContact O-N 3.3Å; Q401-T405 VanDerWaalsContact O-N 3.08Å; Q401-T405 PolarHBondContact O-OG1 3.37Å; Q402-T405 WeakPolarHBondContact O-CB 3.33Å; Q402-T405 PolarHBondContact O-N 2.91Å; A403-T405 VanDerWaalsContact C-N 3.28Å; A403-T405 PolarHBondContact O-N 3.13Å; T405-L407 VanDerWaalsContact C-N 3.33Å; T405-L407 PolarHBondContact O-N 3.46Å; T405-L408 PolarHBondContact O-N 3.35Å; T405-E409 WeakPolarHBondContact O-CG 3.47Å; T405-E409 PolarHBondContact O-N 3.43Å; T405-R430 PolarHBondContact OG1-NE 2.87Å
406	G	86.4	Confident	88.6	Confident	23 Å²	23	66.5 Å²	66.5	24%	0.237	33%	0.331	C	S	.	.	H	α-helix	trans	-64.8	-34.3	176.4	0	0	0	0	0	113.7	Q402 A403 R410	Q402-G406 PolarHBondContact O-N 3.29Å; A403-G406 PolarHBondContact O-N 2.9Å; G406-R410 WeakPolarHBondContact O-CG 3.32Å; G406-R410 PolarHBondContact O-N 3.49Å
407	L	88	Confident	88.8	Confident	38 Å²	38	66.7 Å²	66.7	20%	0.199	35%	0.346	C	S	.	.	H	α-helix	trans	-66.1	-49.2	173	-72.7	172.7	0	0	0	111.3	A403 L404 T405 E409 R410 M411 W426	A403-L407 WeakPolarHBondContact O-CG 3.43Å; A403-L407 PolarHBondContact O-N 3.46Å; L404-L407 PolarHBondContact O-N 3.06Å; T405-L407 VanDerWaalsContact C-N 3.33Å; T405-L407 PolarHBondContact O-N 3.46Å; L407-E409 VanDerWaalsContact C-N 3.31Å; L407-E409 PolarHBondContact O-N 2.81Å; L407-R410 PolarHBondContact O-N 3.43Å; L407-M411 VanDerWaalsContact O-CB 3.25Å; L407-M411 WeakPolarHBondContact O-CB 3.3Å; L407-M411 WeakPolarHBondContact O-CG 3.43Å; L407-M411 PolarHBondContact O-N 3Å; L407-W426 HydrophobicContact CB-CE3 4.22Å; L407-W426 HydrophobicContact CB-CH2 4.42Å; L407-W426 HydrophobicContact CB-CZ3 3.95Å; L407-W426 HydrophobicContact CD1-CH2 4.47Å; L407-W426 HydrophobicContact CD1-CZ2 4.49Å
408	L	90.7	Very high	88.9	Confident	25 Å²	25	71.9 Å²	71.9	13%	0.131	37%	0.368	C	S	.	.	H	α-helix	trans	-57.1	-44.2	177.2	-74.8	167.6	0	0	0	111.7	L404 T405 R410 M411 Q412 L423 W426 M427	L404-L408 WeakPolarHBondContact O-CB 3.32Å; L404-L408 VanDerWaalsContact O-CG 3.25Å; L404-L408 WeakPolarHBondContact O-CG 3.49Å; L404-L408 PolarHBondContact O-N 3.03Å; T405-L408 PolarHBondContact O-N 3.35Å; L408-R410 VanDerWaalsContact C-N 3.3Å; L408-R410 PolarHBondContact O-N 2.95Å; L408-M411 PolarHBondContact O-N 3.31Å; L408-Q412 WeakPolarHBondContact O-CB 3.43Å; L408-Q412 WeakPolarHBondContact O-CG 3.29Å; L408-Q412 PolarHBondContact O-N 2.83Å; L408-Q412 VanDerWaalsContact O-N 3.1Å; L408-L423 HydrophobicContact CD2-CD2 3.82Å; L408-W426 HydrophobicContact CD2-CB 3.92Å; L408-W426 HydrophobicContact CD2-CE3 4.31Å; L408-W426 HydrophobicContact CG-CB 4.3Å; L408-M427 HydrophobicContact CD1-CG 4.24Å; L408-M427 HydrophobicContact CD2-CG 3.81Å
409	E	88.9	Confident	89.1	Confident	126 Å²	126	70.4 Å²	70.4	59%	0.589	36%	0.363	S	S	*	.	H	α-helix	trans	-58.9	-39.5	179.3	-77.5	173	178.3	0	0	113	T405 L407 Q412	T405-E409 WeakPolarHBondContact O-CG 3.47Å; T405-E409 PolarHBondContact O-N 3.43Å; L407-E409 VanDerWaalsContact C-N 3.31Å; L407-E409 PolarHBondContact O-N 2.81Å; E409-Q412 PolarHBondContact O-NE2 3.33Å; E409-Q412 VanDerWaalsContact O-NE2 3.11Å
410	R	87.8	Confident	89.4	Confident	192 Å²	192	74.5 Å²	74.5	73%	0.725	37%	0.371	S	S	*	.	H	α-helix	trans	-81.6	-42.4	-179.5	-66.5	173.6	-174.2	-176.3	2	112.5	G406 L407 L408 T413	G406-R410 WeakPolarHBondContact O-CG 3.32Å; G406-R410 PolarHBondContact O-N 3.49Å; L407-R410 PolarHBondContact O-N 3.43Å; L408-R410 VanDerWaalsContact C-N 3.3Å; L408-R410 PolarHBondContact O-N 2.95Å; R410-T413 PolarHBondContact O-OG1 2.69Å
411	M	88.6	Confident	89.6	Confident	30 Å²	30	78.1 Å²	78.1	15%	0.148	39%	0.392	C	S	.	.	H	α-helix	trans	-87.2	-14.8	-167.2	-60.2	-59.5	-70.5	0	0	113.4	L407 L408 T413 Y414 L423 W426	L407-M411 VanDerWaalsContact O-CB 3.25Å; L407-M411 WeakPolarHBondContact O-CB 3.3Å; L407-M411 WeakPolarHBondContact O-CG 3.43Å; L407-M411 PolarHBondContact O-N 3Å; L408-M411 PolarHBondContact O-N 3.31Å; M411-T413 PolarHBondContact O-N 3Å; M411-Y414 HydrophobicContact CB-CD2 4.37Å; M411-Y414 HydrophobicContact CE-CD2 3.71Å; M411-Y414 HydrophobicContact CE-CE2 3.61Å; M411-Y414 VanDerWaalsContact O-CD2 3.3Å; M411-Y414 WeakPolarHBondContact O-CD2 3.47Å; M411-Y414 PolarHBondContact O-N 3.01Å; M411-Y414 HydrophobicContact SD-CD2 4.08Å; M411-Y414 HydrophobicContact SD-CE2 3.65Å; M411-L423 HydrophobicContact CB-CD2 3.91Å; M411-W426 HydrophobicContact CB-CZ3 4.04Å; M411-W426 HydrophobicContact CG-CH2 4.36Å; M411-W426 HydrophobicContact CG-CZ3 3.93Å
412	Q	87.9	Confident	89.9	Confident	120 Å²	120	79.7 Å²	79.7	56%	0.561	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-9.4	175.4	65.6	-176.4	-32.2	0	0	114.6	L408 E409 Y414 Q415	L408-Q412 WeakPolarHBondContact O-CB 3.43Å; L408-Q412 WeakPolarHBondContact O-CG 3.29Å; L408-Q412 PolarHBondContact O-N 2.83Å; L408-Q412 VanDerWaalsContact O-N 3.1Å; E409-Q412 PolarHBondContact O-NE2 3.33Å; E409-Q412 VanDerWaalsContact O-NE2 3.11Å; Q412-Y414 VanDerWaalsContact C-N 3.28Å; Q412-Q415 PolarHBondContact O-NE2 3.36Å
413	T	90.8	Very high	90.2	Very high	103 Å²	103	74.8 Å²	74.8	63%	0.632	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-23.9	173.4	55.4	0	0	0	0	112.6	R410 M411	R410-T413 PolarHBondContact O-OG1 2.69Å; M411-T413 PolarHBondContact O-N 3Å
414	Y	89.3	Confident	90.5	Very high	61 Å²	61	75.5 Å²	75.5	24%	0.239	39%	0.386	C	S	.	.			trans	-83.8	132.6	178.6	-58.7	-75.7	0	0	0	111.2	R11 M411 Q412	R11-Y414 HydrophobicContact CG-CE1 4.31Å; M411-Y414 HydrophobicContact CB-CD2 4.37Å; M411-Y414 HydrophobicContact CE-CD2 3.71Å; M411-Y414 HydrophobicContact CE-CE2 3.61Å; M411-Y414 VanDerWaalsContact O-CD2 3.3Å; M411-Y414 WeakPolarHBondContact O-CD2 3.47Å; M411-Y414 PolarHBondContact O-N 3.01Å; M411-Y414 HydrophobicContact SD-CD2 4.08Å; M411-Y414 HydrophobicContact SD-CE2 3.65Å; Q412-Y414 VanDerWaalsContact C-N 3.28Å
415	Q	88.8	Confident	90.9	Very high	120 Å²	120	78.1 Å²	78.1	56%	0.561	41%	0.407	S	S	*	.			trans	-121.6	1.7	-170.1	-65.9	-67	-30.8	0	0	113.7	Q412 R420	Q412-Q415 PolarHBondContact O-NE2 3.36Å; Q415-R420 VanDerWaalsContact O-CZ 3.22Å; Q415-R420 PolarHBondContact O-NE 3.37Å; Q415-R420 PolarHBondContact O-NH2 2.98Å
416	D	94.2	Very high	91.1	Very high	55 Å²	55	77.1 Å²	77.1	29%	0.294	40%	0.4	S	S	.	.	S	Bend	trans	-66.1	158.8	172.3	54.5	86.3	0	0	0	111.7	R11 E418 S419 R420	R11-D416 IonicContact NH1-OD2 3.48Å; D416-E418 VanDerWaalsContact C-N 3.3Å; D416-E418 PolarHBondContact O-N 2.98Å; D416-S419 PolarHBondContact O-N 3.45Å; D416-S419 VanDerWaalsContact OD1-CB 3.22Å; D416-S419 WeakPolarHBondContact OD1-CB 3.3Å; D416-S419 PolarHBondContact OD1-N 3.32Å; D416-S419 PolarHBondContact OD1-OG 3.41Å; D416-S419 PolarHBondContact OD2-OG 2.87Å; D416-S419 VanDerWaalsContact OD2-OG 3.04Å; D416-R420 PolarHBondContact O-N 3.35Å
417	A	92.8	Very high	91.5	Very high	80 Å²	80	81.8 Å²	81.8	66%	0.661	42%	0.417	S	S	*	.	H	α-helix	trans	-61.1	-39.1	-173.2	0	0	0	0	0	112.6	R420 Q421	A417-R420 PolarHBondContact O-N 3.46Å; A417-Q421 PolarHBondContact O-N 3.43Å; A417-Q421 VanDerWaalsContact O-N 3.12Å
418	E	92.9	Very high	91.9	Very high	125 Å²	125	86.5 Å²	86.5	58%	0.584	44%	0.436	S	S	*	.	H	α-helix	trans	-65.1	-49.8	178.3	-173.5	178.3	-172.3	0	0	111	D416 R420 Q421 V422	D416-E418 VanDerWaalsContact C-N 3.3Å; D416-E418 PolarHBondContact O-N 2.98Å; E418-R420 VanDerWaalsContact C-N 3.3Å; E418-R420 PolarHBondContact O-N 3.46Å; E418-Q421 WeakPolarHBondContact O-CB 3.24Å; E418-Q421 PolarHBondContact O-N 3.17Å; E418-Q421 VanDerWaalsContact O-N 3.09Å; E418-V422 PolarHBondContact O-N 2.99Å
419	S	91.1	Very high	92.1	Very high	24 Å²	24	88.5 Å²	88.5	17%	0.168	44%	0.444	C	S	.	.	H	α-helix	trans	-58.1	-41.8	176.3	-62.4	0	0	0	0	112.1	D416 Q421 V422 L423	D416-S419 PolarHBondContact O-N 3.45Å; D416-S419 VanDerWaalsContact OD1-CB 3.22Å; D416-S419 WeakPolarHBondContact OD1-CB 3.3Å; D416-S419 PolarHBondContact OD1-N 3.32Å; D416-S419 PolarHBondContact OD1-OG 3.41Å; D416-S419 PolarHBondContact OD2-OG 2.87Å; D416-S419 VanDerWaalsContact OD2-OG 3.04Å; S419-Q421 VanDerWaalsContact C-N 3.31Å; S419-Q421 PolarHBondContact O-N 2.85Å; S419-V422 PolarHBondContact O-N 3.04Å; S419-L423 WeakPolarHBondContact O-CB 3.22Å; S419-L423 VanDerWaalsContact O-CG 3.23Å; S419-L423 WeakPolarHBondContact O-CG 3.37Å; S419-L423 PolarHBondContact O-N 3.11Å
420	R	91.2	Very high	92.4	Very high	148 Å²	148	85.1 Å²	85.1	56%	0.558	43%	0.426	S	S	*	.	H	α-helix	trans	-62.2	-38.1	176.5	-76.6	-171.3	-114.1	-178	-6	112.7	Q415 D416 A417 E418 A424	Q415-R420 VanDerWaalsContact O-CZ 3.22Å; Q415-R420 PolarHBondContact O-NE 3.37Å; Q415-R420 PolarHBondContact O-NH2 2.98Å; D416-R420 PolarHBondContact O-N 3.35Å; A417-R420 PolarHBondContact O-N 3.46Å; E418-R420 VanDerWaalsContact C-N 3.3Å; E418-R420 PolarHBondContact O-N 3.46Å; R420-A424 WeakPolarHBondContact O-CB 3.35Å; R420-A424 PolarHBondContact O-N 3.44Å
421	Q	94.1	Very high	92.6	Very high	151 Å²	151	80 Å²	80	71%	0.706	41%	0.411	S	S	*	.	H	α-helix	trans	-66.1	-43.8	177.1	-172.8	176.9	3	0	0	111.4	A417 E418 S419 A424 A425	A417-Q421 PolarHBondContact O-N 3.43Å; A417-Q421 VanDerWaalsContact O-N 3.12Å; E418-Q421 WeakPolarHBondContact O-CB 3.24Å; E418-Q421 PolarHBondContact O-N 3.17Å; E418-Q421 VanDerWaalsContact O-N 3.09Å; S419-Q421 VanDerWaalsContact C-N 3.31Å; S419-Q421 PolarHBondContact O-N 2.85Å; Q421-A424 PolarHBondContact O-N 3.13Å; Q421-A425 PolarHBondContact O-N 3.06Å
422	V	93.3	Very high	92.9	Very high	51 Å²	51	83.1 Å²	83.1	31%	0.309	43%	0.425	S	S	.	.	H	α-helix	trans	-63.2	-46.1	176.3	175.6	0	0	0	0	111.2	E418 S419 A424 A425 W426	E418-V422 PolarHBondContact O-N 2.99Å; S419-V422 PolarHBondContact O-N 3.04Å; V422-A424 VanDerWaalsContact C-N 3.32Å; V422-A424 PolarHBondContact O-N 2.71Å; V422-A425 WeakPolarHBondContact O-CB 3.23Å; V422-A425 PolarHBondContact O-N 2.88Å; V422-A425 VanDerWaalsContact O-N 3.16Å; V422-W426 HydrophobicContact CG1-CD2 3.88Å; V422-W426 HydrophobicContact CG1-CE3 4.17Å; V422-W426 HydrophobicContact CG1-CH2 3.79Å; V422-W426 HydrophobicContact CG1-CZ2 3.46Å; V422-W426 VanDerWaalsContact CG1-CZ2 3.46Å; V422-W426 HydrophobicContact CG1-CZ3 4.14Å; V422-W426 PolarHBondContact O-N 3.37Å
423	L	92.6	Very high	93	Very high	22 Å²	22	78.3 Å²	78.3	12%	0.115	40%	0.403	C	S	.	.	H	α-helix	trans	-59.5	-43	177.1	-71	169.5	0	0	0	111.6	L408 M411 S419 A425 W426 M427	L408-L423 HydrophobicContact CD2-CD2 3.82Å; M411-L423 HydrophobicContact CB-CD2 3.91Å; S419-L423 WeakPolarHBondContact O-CB 3.22Å; S419-L423 VanDerWaalsContact O-CG 3.23Å; S419-L423 WeakPolarHBondContact O-CG 3.37Å; S419-L423 PolarHBondContact O-N 3.11Å; L423-A425 VanDerWaalsContact C-N 3.33Å; L423-A425 PolarHBondContact O-N 3.42Å; L423-W426 HydrophobicContact CD2-CE3 4.2Å; L423-W426 HydrophobicContact CD2-CZ3 4.38Å; L423-W426 PolarHBondContact O-N 3.16Å; L423-M427 WeakPolarHBondContact O-CB 3.45Å; L423-M427 VanDerWaalsContact O-CG 3.25Å; L423-M427 WeakPolarHBondContact O-CG 3.43Å; L423-M427 PolarHBondContact O-N 3.1Å
424	A	94	Very high	93.1	Very high	57 Å²	57	75.1 Å²	75.1	47%	0.471	38%	0.379	S	S	.	.	H	α-helix	trans	-62.9	-39.9	176.4	0	0	0	0	0	112.1	R420 Q421 V422 M427 K428	R420-A424 WeakPolarHBondContact O-CB 3.35Å; R420-A424 PolarHBondContact O-N 3.44Å; Q421-A424 PolarHBondContact O-N 3.13Å; V422-A424 VanDerWaalsContact C-N 3.32Å; V422-A424 PolarHBondContact O-N 2.71Å; A424-M427 PolarHBondContact O-N 3.31Å; A424-K428 PolarHBondContact O-N 3.06Å
425	A	95.3	Very high	93.2	Very high	55 Å²	55	75.2 Å²	75.2	46%	0.455	39%	0.388	S	S	.	.	H	α-helix	trans	-63.4	-46.9	175.2	0	0	0	0	0	111.8	Q421 V422 L423 M427 K428 E429	Q421-A425 PolarHBondContact O-N 3.06Å; V422-A425 WeakPolarHBondContact O-CB 3.23Å; V422-A425 PolarHBondContact O-N 2.88Å; V422-A425 VanDerWaalsContact O-N 3.16Å; L423-A425 VanDerWaalsContact C-N 3.33Å; L423-A425 PolarHBondContact O-N 3.42Å; A425-M427 VanDerWaalsContact C-N 3.35Å; A425-M427 PolarHBondContact O-N 2.9Å; A425-K428 WeakPolarHBondContact O-CB 3.45Å; A425-K428 PolarHBondContact O-N 3.09Å; A425-E429 WeakPolarHBondContact O-CB 3.25Å; A425-E429 PolarHBondContact O-N 3.33Å
426	W	95.1	Very high	93.3	Very high	14 Å²	14	73 Å²	73	5%	0.053	38%	0.38	C	S	.	.	H	α-helix	trans	-64.6	-36	176.2	-70.5	-17.2	0	0	0	113.3	L18 L404 L407 L408 M411 V422 L423 K428 R430	L18-W426 HydrophobicContact CD1-CH2 3.94Å; L18-W426 HydrophobicContact CD1-CZ2 4.23Å; L18-W426 HydrophobicContact CD2-CH2 3.96Å; L18-W426 HydrophobicContact CD2-CZ2 3.62Å; L404-W426 HydrophobicContact CD2-CB 4.03Å; L404-W426 HydrophobicContact CD2-CD2 4.37Å; L404-W426 HydrophobicContact CD2-CG 3.79Å; L407-W426 HydrophobicContact CB-CE3 4.22Å; L407-W426 HydrophobicContact CB-CH2 4.42Å; L407-W426 HydrophobicContact CB-CZ3 3.95Å; L407-W426 HydrophobicContact CD1-CH2 4.47Å; L407-W426 HydrophobicContact CD1-CZ2 4.49Å; L408-W426 HydrophobicContact CD2-CB 3.92Å; L408-W426 HydrophobicContact CD2-CE3 4.31Å; L408-W426 HydrophobicContact CG-CB 4.3Å; M411-W426 HydrophobicContact CB-CZ3 4.04Å; M411-W426 HydrophobicContact CG-CH2 4.36Å; M411-W426 HydrophobicContact CG-CZ3 3.93Å; V422-W426 HydrophobicContact CG1-CD2 3.88Å; V422-W426 HydrophobicContact CG1-CE3 4.17Å; V422-W426 HydrophobicContact CG1-CH2 3.79Å; V422-W426 HydrophobicContact CG1-CZ2 3.46Å; V422-W426 VanDerWaalsContact CG1-CZ2 3.46Å; V422-W426 HydrophobicContact CG1-CZ3 4.14Å; V422-W426 PolarHBondContact O-N 3.37Å; L423-W426 HydrophobicContact CD2-CE3 4.2Å; L423-W426 HydrophobicContact CD2-CZ3 4.38Å; L423-W426 PolarHBondContact O-N 3.16Å; W426-K428 VanDerWaalsContact C-N 3.33Å; W426-R430 WeakPolarHBondContact O-CB 3.47Å; W426-R430 PolarHBondContact O-N 2.93Å
427	M	94.7	Very high	93.3	Very high	120 Å²	120	71.1 Å²	71.1	59%	0.591	37%	0.37	S	S	*	.	H	α-helix	trans	-62.2	-42.4	173.5	-75.1	174.5	68.6	0	0	111.3	L408 L423 A424 A425 Q431	L408-M427 HydrophobicContact CD1-CG 4.24Å; L408-M427 HydrophobicContact CD2-CG 3.81Å; L423-M427 WeakPolarHBondContact O-CB 3.45Å; L423-M427 VanDerWaalsContact O-CG 3.25Å; L423-M427 WeakPolarHBondContact O-CG 3.43Å; L423-M427 PolarHBondContact O-N 3.1Å; A424-M427 PolarHBondContact O-N 3.31Å; A425-M427 VanDerWaalsContact C-N 3.35Å; A425-M427 PolarHBondContact O-N 2.9Å; M427-Q431 PolarHBondContact O-N 3.4Å; M427-Q431 VanDerWaalsContact O-N 3.1Å
428	K	96.1	Very high	93.3	Very high	137 Å²	137	68.7 Å²	68.7	60%	0.596	34%	0.344	S	S	*	.	H	α-helix	trans	-64.5	-50.4	175.8	-178.7	-178.8	171.8	-172.4	0	111.3	A424 A425 W426 R430 Q431 E432	A424-K428 PolarHBondContact O-N 3.06Å; A425-K428 WeakPolarHBondContact O-CB 3.45Å; A425-K428 PolarHBondContact O-N 3.09Å; W426-K428 VanDerWaalsContact C-N 3.33Å; K428-R430 VanDerWaalsContact C-N 3.33Å; K428-R430 PolarHBondContact O-N 3.03Å; K428-Q431 WeakPolarHBondContact O-CA 3.46Å; K428-Q431 WeakPolarHBondContact O-CB 3.41Å; K428-Q431 PolarHBondContact O-N 3.38Å; K428-E432 WeakPolarHBondContact CE-OE1 3.37Å; K428-E432 PolarHBondContact O-N 2.89Å
429	E	95.8	Very high	93.4	Very high	67 Å²	67	65.3 Å²	65.3	31%	0.313	34%	0.337	S	S	.	.	H	α-helix	trans	-59.7	-43	178.7	-174.2	176.5	-178.9	0	0	111.8	W400 L404 A425 Q431 E432 L433	W400-E429 PolarHBondContact NE1-OE1 2.77Å; L404-E429 HydrophobicContact CD1-CB 4.26Å; L404-E429 HydrophobicContact CD1-CG 3.96Å; A425-E429 WeakPolarHBondContact O-CB 3.25Å; A425-E429 PolarHBondContact O-N 3.33Å; E429-Q431 VanDerWaalsContact C-N 3.25Å; E429-Q431 PolarHBondContact O-N 3.47Å; E429-E432 PolarHBondContact O-N 3.1Å; E429-E432 VanDerWaalsContact O-N 3.15Å; E429-L433 HydrophobicContact CG-CD1 4.49Å; E429-L433 WeakPolarHBondContact O-CG 3.46Å; E429-L433 PolarHBondContact O-N 3.13Å
430	R	93.7	Very high	93.6	Very high	55 Å²	55	66.1 Å²	66.1	21%	0.208	34%	0.34	C	S	.	.	H	α-helix	trans	-59.8	-36.7	174	-178.9	177.5	172.7	-84.6	5.4	112.1	Q401 L404 T405 W426 K428 R434	Q401-R430 HydrophobicContact CG-CG 4.15Å; L404-R430 HydrophobicContact CD1-CB 4.2Å; T405-R430 PolarHBondContact OG1-NE 2.87Å; W426-R430 WeakPolarHBondContact O-CB 3.47Å; W426-R430 PolarHBondContact O-N 2.93Å; K428-R430 VanDerWaalsContact C-N 3.33Å; K428-R430 PolarHBondContact O-N 3.03Å; R430-R434 WeakPolarHBondContact O-CG 3.47Å; R430-R434 PolarHBondContact O-N 3.3Å; R430-R434 VanDerWaalsContact O-N 3.15Å
431	Q	92.7	Very high	93.8	Very high	86 Å²	86	60.2 Å²	60.2	40%	0.402	32%	0.318	S	S	.	.	H	α-helix	trans	-71.2	-37.8	176.5	-174.4	60.2	20.2	0	0	111.7	M427 K428 E429 R434 C435	M427-Q431 PolarHBondContact O-N 3.4Å; M427-Q431 VanDerWaalsContact O-N 3.1Å; K428-Q431 WeakPolarHBondContact O-CA 3.46Å; K428-Q431 WeakPolarHBondContact O-CB 3.41Å; K428-Q431 PolarHBondContact O-N 3.38Å; E429-Q431 VanDerWaalsContact C-N 3.25Å; E429-Q431 PolarHBondContact O-N 3.47Å; Q431-R434 WeakPolarHBondContact O-CB 3.39Å; Q431-R434 PolarHBondContact O-N 2.9Å; Q431-C435 PolarHBondContact O-N 3.05Å; Q431-C435 VanDerWaalsContact O-N 3.11Å; Q431-C435 PolarHBondContact O-SG 3.43Å; Q431-C435 VanDerWaalsContact O-SG 3.41Å
432	E	93.9	Very high	94	Very high	95 Å²	95	53.9 Å²	53.9	44%	0.444	29%	0.289	S	S	.	.	H	α-helix	trans	-63.2	-45.8	174.4	-69.8	170.6	-179.8	0	0	111.5	K428 E429 R434 C435 I436	K428-E432 WeakPolarHBondContact CE-OE1 3.37Å; K428-E432 PolarHBondContact O-N 2.89Å; E429-E432 PolarHBondContact O-N 3.1Å; E429-E432 VanDerWaalsContact O-N 3.15Å; E432-R434 VanDerWaalsContact C-N 3.28Å; E432-R434 PolarHBondContact O-N 3.42Å; E432-C435 WeakPolarHBondContact O-CB 3.33Å; E432-C435 PolarHBondContact O-N 2.91Å; E432-C435 VanDerWaalsContact O-N 3.08Å; E432-I436 WeakPolarHBondContact O-CG1 3.49Å; E432-I436 PolarHBondContact O-N 3.19Å
433	L	91.8	Very high	94	Very high	19 Å²	19	54.4 Å²	54.4	10%	0.099	30%	0.299	C	S	.	.	H	α-helix	trans	-59.7	-38	174.9	-69.1	167.5	0	0	0	112.4	W400 Q401 L404 E429 C435 I436 T437	W400-L433 HydrophobicContact CB-CD1 4.37Å; W400-L433 HydrophobicContact CG-CD1 4Å; Q401-L433 HydrophobicContact CB-CB 4.38Å; Q401-L433 HydrophobicContact CB-CD1 4.25Å; L404-L433 HydrophobicContact CD1-CD1 3.66Å; E429-L433 HydrophobicContact CG-CD1 4.49Å; E429-L433 WeakPolarHBondContact O-CG 3.46Å; E429-L433 PolarHBondContact O-N 3.13Å; L433-C435 VanDerWaalsContact C-N 3.34Å; L433-I436 PolarHBondContact O-N 3.1Å; L433-T437 WeakPolarHBondContact O-CB 3.27Å; L433-T437 VanDerWaalsContact O-CG2 3.27Å; L433-T437 WeakPolarHBondContact O-CG2 3.42Å; L433-T437 PolarHBondContact O-N 3.38Å; L433-T437 PolarHBondContact O-OG1 3.25Å
434	R	92.1	Very high	94.2	Very high	35 Å²	35	55.4 Å²	55.4	13%	0.132	30%	0.303	C	S	.	.	H	α-helix	trans	-60.7	-43.8	173.8	-84	175.6	149.1	-168.3	-9.9	111.7	R430 Q431 E432 T437 K438 F452	R430-R434 WeakPolarHBondContact O-CG 3.47Å; R430-R434 PolarHBondContact O-N 3.3Å; R430-R434 VanDerWaalsContact O-N 3.15Å; Q431-R434 WeakPolarHBondContact O-CB 3.39Å; Q431-R434 PolarHBondContact O-N 2.9Å; E432-R434 VanDerWaalsContact C-N 3.28Å; E432-R434 PolarHBondContact O-N 3.42Å; R434-T437 PolarHBondContact O-OG1 2.83Å; R434-T437 VanDerWaalsContact O-OG1 3.1Å; R434-K438 VanDerWaalsContact O-CB 3.3Å; R434-K438 WeakPolarHBondContact O-CB 3.43Å; R434-K438 PolarHBondContact O-N 2.79Å; R434-K438 VanDerWaalsContact O-N 3.09Å; R434-F452 HydrophobicContact CB-CD1 3.66Å; R434-F452 HydrophobicContact CB-CE1 3.81Å; R434-F452 HydrophobicContact CB-CG 4.39Å; R434-F452 HydrophobicContact CG-CB 4.43Å; R434-F452 HydrophobicContact CG-CD1 4.01Å; R434-F452 HydrophobicContact CG-CG 4.38Å; R434-F452 WeakPolarHBondContact O-CE1 3.28Å
435	C	91.6	Very high	94.3	Very high	64 Å²	64	52.7 Å²	52.7	43%	0.432	28%	0.281	S	S	.	.	H	α-helix	trans	-65.7	-45.1	176.7	-68	0	0	0	0	111.8	Q431 E432 L433 K438 A439	Q431-C435 PolarHBondContact O-N 3.05Å; Q431-C435 VanDerWaalsContact O-N 3.11Å; Q431-C435 PolarHBondContact O-SG 3.43Å; Q431-C435 VanDerWaalsContact O-SG 3.41Å; E432-C435 WeakPolarHBondContact O-CB 3.33Å; E432-C435 PolarHBondContact O-N 2.91Å; E432-C435 VanDerWaalsContact O-N 3.08Å; L433-C435 VanDerWaalsContact C-N 3.34Å; C435-K438 PolarHBondContact O-N 3.38Å; C435-A439 WeakPolarHBondContact O-CB 3.22Å; C435-A439 PolarHBondContact O-N 3.11Å
436	I	91.4	Very high	94.4	Very high	74 Å²	74	50.2 Å²	50.2	38%	0.379	26%	0.26	S	S	.	.	H	α-helix	trans	-60.4	-54.5	178.1	-67.6	165.2	0	0	0	110.4	E432 L433 K438 A439 L440	E432-I436 WeakPolarHBondContact O-CG1 3.49Å; E432-I436 PolarHBondContact O-N 3.19Å; L433-I436 PolarHBondContact O-N 3.1Å; I436-K438 VanDerWaalsContact C-N 3.3Å; I436-K438 PolarHBondContact O-N 2.75Å; I436-A439 PolarHBondContact O-N 3.44Å; I436-L440 WeakPolarHBondContact O-CG 3.44Å; I436-L440 PolarHBondContact O-N 2.58Å; I436-L440 VanDerWaalsContact O-N 3.14Å
437	T	92.4	Very high	94.5	Very high	14 Å²	14	49.9 Å²	49.9	9%	0.086	26%	0.26	C	S	.	.	H	α-helix	trans	-61.1	-36.1	-178.2	51.2	0	0	0	0	112.9	S397 L433 R434 F441	S397-T437 VanDerWaalsContact CB-CG2 3.41Å; L433-T437 WeakPolarHBondContact O-CB 3.27Å; L433-T437 VanDerWaalsContact O-CG2 3.27Å; L433-T437 WeakPolarHBondContact O-CG2 3.42Å; L433-T437 PolarHBondContact O-N 3.38Å; L433-T437 PolarHBondContact O-OG1 3.25Å; R434-T437 PolarHBondContact O-OG1 2.83Å; R434-T437 VanDerWaalsContact O-OG1 3.1Å; T437-F441 WeakPolarHBondContact O-CD2 3.43Å
438	K	94.5	Very high	94.5	Very high	30 Å²	30	44.7 Å²	44.7	13%	0.13	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-51.1	170.6	174.1	-169.2	174.1	-99.7	0	111	R434 C435 I436 L440 F441 A443 Q444 G446 F452	R434-K438 VanDerWaalsContact O-CB 3.3Å; R434-K438 WeakPolarHBondContact O-CB 3.43Å; R434-K438 PolarHBondContact O-N 2.79Å; R434-K438 VanDerWaalsContact O-N 3.09Å; C435-K438 PolarHBondContact O-N 3.38Å; I436-K438 VanDerWaalsContact C-N 3.3Å; I436-K438 PolarHBondContact O-N 2.75Å; K438-L440 PolarHBondContact O-N 3.2Å; K438-F441 PolarHBondContact O-N 2.83Å; K438-A443 PolarHBondContact NZ-O 2.72Å; K438-Q444 WeakPolarHBondContact CE-O 3.44Å; K438-Q444 PolarHBondContact NZ-O 2.88Å; K438-G446 WeakPolarHBondContact O-CA 3.35Å; K438-F452 HydrophobicContact CB-CE1 4.04Å; K438-F452 HydrophobicContact CD-CE1 4.03Å; K438-F452 HydrophobicContact CD-CZ 4.17Å
439	A	94.2	Very high	94.5	Very high	53 Å²	53	39.6 Å²	39.6	44%	0.438	21%	0.213	S	C	.	.	H	α-helix	trans	-67.4	-19.6	-172.4	0	0	0	0	0	113.8	C435 I436 F441	C435-A439 WeakPolarHBondContact O-CB 3.22Å; C435-A439 PolarHBondContact O-N 3.11Å; I436-A439 PolarHBondContact O-N 3.44Å; A439-F441 PolarHBondContact O-N 2.79Å
440	L	95.6	Very high	94.5	Very high	41 Å²	41	42.4 Å²	42.4	22%	0.215	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-22.5	172.7	-67.1	177.1	0	0	0	113.7	I388 Q393 Y394 I436 K438	I388-L440 WeakPolarHBondContact CD1-O 3.44Å; I388-L440 HydrophobicContact CG2-CB 3.9Å; Q393-L440 HydrophobicContact CG-CD1 4.24Å; Q393-L440 HydrophobicContact CG-CD2 4.34Å; Y394-L440 HydrophobicContact CD2-CD1 4.03Å; Y394-L440 HydrophobicContact CG-CD1 4.49Å; I436-L440 WeakPolarHBondContact O-CG 3.44Å; I436-L440 PolarHBondContact O-N 2.58Å; I436-L440 VanDerWaalsContact O-N 3.14Å; K438-L440 PolarHBondContact O-N 3.2Å
441	F	96	Very high	94.4	Very high	25 Å²	25	40.1 Å²	40.1	11%	0.11	21%	0.212	C	C	.	.	S	Bend	trans	-91	-103.6	174	-60.8	-89.7	0	0	0	110.7	E385 I388 I389 Y394 T437 K438 A439	E385-F441 HydrophobicContact CB-CD1 4.47Å; E385-F441 HydrophobicContact CB-CE1 4.02Å; E385-F441 HydrophobicContact CG-CD1 4.01Å; E385-F441 HydrophobicContact CG-CE1 3.99Å; E385-F441 WeakPolarHBondContact OE2-CE1 3.46Å; I388-F441 HydrophobicContact CB-CD1 4.26Å; I388-F441 HydrophobicContact CB-CE1 3.99Å; I388-F441 HydrophobicContact CD1-CD1 3.71Å; I388-F441 HydrophobicContact CD1-CE1 4.26Å; I388-F441 HydrophobicContact CD1-CG 4.33Å; I388-F441 HydrophobicContact CG2-CD1 4.09Å; I388-F441 HydrophobicContact CG2-CE1 3.86Å; I388-F441 HydrophobicContact CG2-CE2 4.32Å; I388-F441 HydrophobicContact CG2-CG 4.41Å; I388-F441 HydrophobicContact CG2-CZ 3.99Å; I389-F441 HydrophobicContact CG1-CE1 4.31Å; I389-F441 HydrophobicContact CG1-CZ 3.95Å; Y394-F441 HydrophobicContact CD2-CE2 4.07Å; Y394-F441 HydrophobicContact CD2-CZ 4.29Å; Y394-F441 AromaticContact CE2-CE2 3.57Å; Y394-F441 HydrophobicContact CE2-CE2 3.57Å; Y394-F441 AromaticContact CE2-CZ 3.82Å; Y394-F441 HydrophobicContact CE2-CZ 3.82Å; T437-F441 WeakPolarHBondContact O-CD2 3.43Å; K438-F441 PolarHBondContact O-N 2.83Å; A439-F441 PolarHBondContact O-N 2.79Å
442	N	96.7	Very high	94.1	Very high	17 Å²	17	38.2 Å²	38.2	9%	0.091	20%	0.203	C	C	.	.			trans	-100.6	133.2	169.5	175.1	-83.5	0	0	0	108.8	S115 I118 Q444 F445 G446	S115-N442 PolarHBondContact O-ND2 2.89Å; I118-N442 HydrophobicContact CG2-CB 3.52Å; N442-Q444 VanDerWaalsContact C-N 3.32Å; N442-Q444 PolarHBondContact O-N 2.88Å; N442-Q444 WeakPolarHBondContact OD1-CA 3.4Å; N442-Q444 WeakPolarHBondContact OD1-CB 3.41Å; N442-Q444 PolarHBondContact OD1-N 3.39Å; N442-Q444 PolarHBondContact OD1-OE1 2.93Å; N442-F445 PolarHBondContact OD1-N 2.87Å; N442-G446 WeakPolarHBondContact CB-O 3.37Å; N442-G446 WeakPolarHBondContact O-CA 3.3Å; N442-G446 PolarHBondContact O-N 2.79Å
443	A	95	Very high	93.6	Very high	63 Å²	63	39 Å²	39	52%	0.521	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-39.4	-174.9	0	0	0	0	0	112.3	K438	K438-A443 PolarHBondContact NZ-O 2.72Å
444	Q	95.7	Very high	93.6	Very high	43 Å²	43	39.4 Å²	39.4	20%	0.201	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-48.5	-175.9	-65.7	76	3.4	0	0	111.4	S115 F116 Y145 K438 N442	S115-Q444 PolarHBondContact O-OE1 3.33Å; S115-Q444 VanDerWaalsContact O-OE1 3.08Å; F116-Q444 HydrophobicContact CD2-CG 4.31Å; Y145-Q444 HydrophobicContact CE1-CG 4.22Å; Y145-Q444 HydrophobicContact CE2-CB 3.86Å; Y145-Q444 HydrophobicContact CE2-CG 4.29Å; Y145-Q444 WeakPolarHBondContact OH-CG 3.48Å; K438-Q444 WeakPolarHBondContact CE-O 3.44Å; K438-Q444 PolarHBondContact NZ-O 2.88Å; N442-Q444 VanDerWaalsContact C-N 3.32Å; N442-Q444 PolarHBondContact O-N 2.88Å; N442-Q444 WeakPolarHBondContact OD1-CA 3.4Å; N442-Q444 WeakPolarHBondContact OD1-CB 3.41Å; N442-Q444 PolarHBondContact OD1-N 3.39Å; N442-Q444 PolarHBondContact OD1-OE1 2.93Å
445	F	96.9	Very high	93.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-14.4	-168.3	-59.7	-75.9	0	0	0	114	F116 I118 L121 L130 K132 T143 Y145 N442	F116-F445 VanDerWaalsContact O-CD2 3.23Å; F116-F445 WeakPolarHBondContact O-CD2 3.25Å; F116-F445 WeakPolarHBondContact O-CE2 3.45Å; I118-F445 HydrophobicContact CD1-CB 3.49Å; I118-F445 VanDerWaalsContact CD1-CB 3.49Å; I118-F445 HydrophobicContact CG1-CB 3.76Å; I118-F445 HydrophobicContact CG1-CG 4.39Å; L121-F445 HydrophobicContact CD1-CD1 3.91Å; L121-F445 HydrophobicContact CD1-CD2 3.72Å; L121-F445 HydrophobicContact CD1-CE1 3.9Å; L121-F445 HydrophobicContact CD1-CE2 3.74Å; L121-F445 HydrophobicContact CD1-CG 3.83Å; L121-F445 HydrophobicContact CD1-CZ 3.84Å; L121-F445 HydrophobicContact CD2-CB 4.05Å; L121-F445 HydrophobicContact CD2-CD1 3.46Å; L121-F445 VanDerWaalsContact CD2-CD1 3.46Å; L121-F445 HydrophobicContact CD2-CE1 4.01Å; L121-F445 HydrophobicContact CD2-CG 3.76Å; L121-F445 HydrophobicContact CG-CD1 4.35Å; L121-F445 HydrophobicContact CG-CG 4.43Å; L130-F445 HydrophobicContact CD2-CE2 4.28Å; L130-F445 HydrophobicContact CD2-CZ 3.79Å; L130-F445 HydrophobicContact CG-CE1 4.42Å; L130-F445 HydrophobicContact CG-CZ 4.04Å; K132-F445 HydrophobicContact CB-CD1 4.26Å; K132-F445 HydrophobicContact CD-CB 4.33Å; K132-F445 WeakPolarHBondContact CD-O 3.25Å; K132-F445 VanDerWaalsContact CE-O 3.32Å; K132-F445 WeakPolarHBondContact CE-O 3.47Å; K132-F445 PolarHBondContact NZ-O 3.37Å; T143-F445 WeakPolarHBondContact O-CE1 3.38Å; Y145-F445 AromaticContact CD2-CE1 3.73Å; Y145-F445 HydrophobicContact CD2-CE1 3.73Å; Y145-F445 HydrophobicContact CD2-CE2 4.4Å; Y145-F445 AromaticContact CD2-CZ 3.54Å; Y145-F445 HydrophobicContact CD2-CZ 3.54Å; Y145-F445 HydrophobicContact CE2-CE1 4.16Å; Y145-F445 HydrophobicContact CE2-CZ 4.04Å; Y145-F445 HydrophobicContact CG-CZ 4.22Å; N442-F445 PolarHBondContact OD1-N 2.87Å
446	G	96.3	Very high	94.1	Very high	2 Å²	2	37.4 Å²	37.4	2%	0.021	20%	0.199	C	C	.	.			trans	74.1	-150.8	-179.5	0	0	0	0	0	114.2	I118 K438 N442	I118-G446 WeakPolarHBondContact CD1-O 3.29Å; K438-G446 WeakPolarHBondContact O-CA 3.35Å; N442-G446 WeakPolarHBondContact CB-O 3.37Å; N442-G446 WeakPolarHBondContact O-CA 3.3Å; N442-G446 PolarHBondContact O-N 2.79Å
447	S	96.8	Very high	94.2	Very high	8 Å²	8	34.9 Å²	34.9	6%	0.056	19%	0.185	C	C	.	.			trans	-65.1	141.4	179.5	161.7	0	0	0	0	112.6	K132 E385 F449 R450	K132-S447 WeakPolarHBondContact CE-O 3.21Å; K132-S447 PolarHBondContact NZ-O 3.23Å; E385-S447 WeakPolarHBondContact OE1-CA 3.46Å; E385-S447 WeakPolarHBondContact OE1-CB 3.13Å; E385-S447 PolarHBondContact OE1-OG 3.39Å; E385-S447 WeakPolarHBondContact OE2-CB 3.21Å; E385-S447 PolarHBondContact OE2-OG 3.18Å; S447-F449 PolarHBondContact O-N 2.91Å; S447-F449 PolarHBondContact OG-N 2.94Å; S447-R450 PolarHBondContact OG-N 3.36Å
448	I	95.9	Very high	94.2	Very high	10 Å²	10	34.3 Å²	34.3	5%	0.051	18%	0.181	C	C	.	.	S	Bend	trans	-63	-28.1	171	63.4	156.5	0	0	0	111.9	I118 I379 E381 E385 T456 F458	I118-I448 HydrophobicContact CB-CG2 4.01Å; I118-I448 HydrophobicContact CD1-CG2 4.08Å; I118-I448 HydrophobicContact CG1-CG2 4.38Å; I379-I448 HydrophobicContact CG2-CD1 3.9Å; E381-I448 HydrophobicContact CB-CD1 3.7Å; E381-I448 HydrophobicContact CB-CG1 4.49Å; E381-I448 HydrophobicContact CG-CD1 4.4Å; E385-I448 HydrophobicContact CG-CG1 4.42Å; E385-I448 WeakPolarHBondContact OE1-CG1 3.37Å; E385-I448 PolarHBondContact OE1-N 2.99Å; I448-T456 WeakPolarHBondContact O-CB 3.48Å; I448-T456 WeakPolarHBondContact O-CG2 3.26Å; I448-T456 PolarHBondContact O-OG1 3.01Å; I448-F458 HydrophobicContact CD1-CE1 4.17Å
449	F	96.4	Very high	94.3	Very high	31 Å²	31	33.4 Å²	33.4	14%	0.136	18%	0.179	C	C	.	.	S	Bend	trans	-94.7	-24.2	-172.5	-60.6	-68.9	0	0	0	114	I379 L382 E385 S447 T456 F458 S459 L462	I379-F449 HydrophobicContact CG2-CE1 4.28Å; I379-F449 HydrophobicContact CG2-CZ 3.83Å; L382-F449 HydrophobicContact CB-CE2 4.39Å; L382-F449 HydrophobicContact CB-CZ 4.21Å; L382-F449 HydrophobicContact CD1-CE2 3.62Å; L382-F449 HydrophobicContact CD1-CZ 3.74Å; E385-F449 HydrophobicContact CB-CD2 4.49Å; E385-F449 HydrophobicContact CB-CE2 4.31Å; E385-F449 HydrophobicContact CG-CD2 4.15Å; E385-F449 HydrophobicContact CG-CE2 4.04Å; E385-F449 WeakPolarHBondContact OE2-CD2 3.33Å; S447-F449 PolarHBondContact O-N 2.91Å; S447-F449 PolarHBondContact OG-N 2.94Å; F449-T456 PolarHBondContact O-N 3.14Å; F449-T456 PolarHBondContact O-OG1 2.63Å; F449-F458 HydrophobicContact CD1-CD1 4.35Å; F449-F458 HydrophobicContact CD1-CE1 4.35Å; F449-F458 HydrophobicContact CE1-CD1 4.4Å; F449-F458 AromaticContact CE1-CE1 3.95Å; F449-F458 HydrophobicContact CE1-CE1 3.95Å; F449-S459 VanDerWaalsContact C-OG 3.24Å; F449-S459 WeakPolarHBondContact CA-OG 3.32Å; F449-S459 WeakPolarHBondContact CB-OG 3.46Å; F449-S459 WeakPolarHBondContact O-CB 3.37Å; F449-S459 PolarHBondContact O-OG 3.35Å; F449-L462 HydrophobicContact CD1-CD2 4.14Å; F449-L462 HydrophobicContact CE1-CD2 3.64Å
450	R	94.6	Very high	94.2	Very high	126 Å²	126	35.5 Å²	35.5	48%	0.475	18%	0.176	S	C	.	.	B	Isolated β-bridge	trans	-136.8	131.6	-167.9	-173.6	165.1	-62.1	-89.5	5.6	112.7	K132 S447 H453	K132-R450 PolarHBondContact NZ-O 2.98Å; S447-R450 PolarHBondContact OG-N 3.36Å; R450-H453 PolarHBondContact NH1-O 3.06Å
451	T	91.9	Very high	94	Very high	6 Å²	6	35.6 Å²	35.6	4%	0.037	17%	0.173	C	C	.	.			trans	-87.2	167.1	154.2	74.7	0	0	0	0	108	D134 Q140 H453 N454 T456	D134-T451 HydrophobicContact CB-CG2 3.67Å; Q140-T451 HydrophobicContact CB-CG2 4.08Å; Q140-T451 HydrophobicContact CG-CG2 4.46Å; T451-H453 CarbonylContact O-C 3.48Å; T451-H453 PolarHBondContact O-N 3.44Å; T451-N454 PolarHBondContact N-O 3.36Å; T451-N454 PolarHBondContact O-N 3.48Å; T451-N454 PolarHBondContact OG1-N 2.95Å; T451-N454 PolarHBondContact OG1-O 3.36Å; T451-T456 HydrophobicContact CG2-CG2 3.96Å
452	F	86.8	Confident	93.8	Very high	47 Å²	47	34.6 Å²	34.6	21%	0.206	17%	0.169	C	C	.	.	S	Bend	trans	-35.4	-43.2	-170.2	-61.4	-58.8	0	0	0	116.7	Q140 R434 K438	Q140-F452 HydrophobicContact CG-CD2 4.24Å; Q140-F452 HydrophobicContact CG-CE2 4.06Å; R434-F452 HydrophobicContact CB-CD1 3.66Å; R434-F452 HydrophobicContact CB-CE1 3.81Å; R434-F452 HydrophobicContact CB-CG 4.39Å; R434-F452 HydrophobicContact CG-CB 4.43Å; R434-F452 HydrophobicContact CG-CD1 4.01Å; R434-F452 HydrophobicContact CG-CG 4.38Å; R434-F452 WeakPolarHBondContact O-CE1 3.28Å; K438-F452 HydrophobicContact CB-CE1 4.04Å; K438-F452 HydrophobicContact CD-CE1 4.03Å; K438-F452 HydrophobicContact CD-CZ 4.17Å
453	H	82.6	Confident	93.6	Very high	110 Å²	110	37.5 Å²	37.5	51%	0.509	19%	0.187	S	C	.	.	S	Bend	trans	-121.9	-38.6	175.9	59.7	-63.6	0	0	0	113.1	R450 T451	R450-H453 PolarHBondContact NH1-O 3.06Å; T451-H453 CarbonylContact O-C 3.48Å; T451-H453 PolarHBondContact O-N 3.44Å
454	N	92.9	Very high	93.3	Very high	28 Å²	28	40.9 Å²	40.9	15%	0.15	19%	0.186	C	C	.	.	S	Bend	trans	-89.3	152.1	-172.2	-65.2	-29.7	0	0	0	112.8	D134 F136 T451	D134-N454 HydrophobicContact CB-CB 4.03Å; D134-N454 PolarHBondContact OD2-ND2 3.29Å; F136-N454 HydrophobicContact CD2-CB 4.15Å; F136-N454 HydrophobicContact CE2-CB 4.09Å; T451-N454 PolarHBondContact N-O 3.36Å; T451-N454 PolarHBondContact O-N 3.48Å; T451-N454 PolarHBondContact OG1-N 2.95Å; T451-N454 PolarHBondContact OG1-O 3.36Å
455	P	95.6	Very high	93.1	Very high	54 Å²	54	39.6 Å²	39.6	35%	0.351	18%	0.18	S	C	.	.	B	Isolated β-bridge	trans	-57.1	147.7	161.7	-19	31.7	0	0	0	110.5	A135	A135-P455 HydrophobicContact CB-CB 4.28Å; A135-P455 VanDerWaalsContact CB-O 3.3Å; A135-P455 WeakPolarHBondContact CB-O 3.3Å; A135-P455 PolarHBondContact N-O 2.83Å
456	T	96.8	Very high	93	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.025	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-68.8	163.2	170.6	56.6	0	0	0	0	111.2	K132 I448 F449 T451 F458 S459 R460	K132-T456 VanDerWaalsContact CE-CG2 3.4Å; I448-T456 WeakPolarHBondContact O-CB 3.48Å; I448-T456 WeakPolarHBondContact O-CG2 3.26Å; I448-T456 PolarHBondContact O-OG1 3.01Å; F449-T456 PolarHBondContact O-N 3.14Å; F449-T456 PolarHBondContact O-OG1 2.63Å; T451-T456 HydrophobicContact CG2-CG2 3.96Å; T456-F458 PolarHBondContact O-N 3.45Å; T456-S459 WeakPolarHBondContact O-CB 3.48Å; T456-S459 PolarHBondContact O-N 3.06Å; T456-S459 VanDerWaalsContact O-N 3.12Å; T456-S459 PolarHBondContact OG1-N 3.46Å; T456-S459 VanDerWaalsContact OG1-N 3.08Å; T456-S459 PolarHBondContact OG1-OG 3.03Å; T456-R460 PolarHBondContact O-N 3.2Å
457	Y	93.6	Very high	92.9	Very high	20 Å²	20	39.6 Å²	39.6	8%	0.078	18%	0.18	C	C	.	.	H	α-helix	trans	-59.7	-31.6	170.4	-167.6	-100.1	0	0	0	111.9	H122 I133 H137 M171 Q183 R461	H122-Y457 AromaticContact CE1-CD1 3.85Å; H122-Y457 AromaticContact NE2-CD1 3.54Å; I133-Y457 PolarHBondContact O-N 2.82Å; H137-Y457 AromaticContact CD2-CD2 3.65Å; H137-Y457 AromaticContact CD2-CE2 3.42Å; H137-Y457 VanDerWaalsContact CD2-CE2 3.42Å; H137-Y457 WeakPolarHBondContact CD2-CE2 3.49Å; H137-Y457 AromaticContact NE2-CE2 3.37Å; H137-Y457 WeakPolarHBondContact NE2-CE2 3.39Å; M171-Y457 HydrophobicContact CE-CD1 4.21Å; M171-Y457 HydrophobicContact CE-CD2 4.18Å; M171-Y457 HydrophobicContact CE-CE1 4.11Å; M171-Y457 HydrophobicContact CE-CE2 4.13Å; M171-Y457 HydrophobicContact CE-CG 4.24Å; Q183-Y457 VanDerWaalsContact OE1-CE1 3.3Å; Y457-R461 HydrophobicContact CE1-CG 4.49Å; Y457-R461 VanDerWaalsContact CE1-NH2 3.33Å; Y457-R461 PolarHBondContact O-N 2.95Å; Y457-R461 PolarHBondContact OH-NH2 3.37Å; Y457-R461 VanDerWaalsContact OH-NH2 3.09Å
458	F	94.3	Very high	92.9	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	18%	0.177	C	C	.	.	H	α-helix	trans	-59.4	-53.1	169	-179	-90.7	0	0	0	111.9	R119 M185 L360 I379 I448 F449 T456 R460 R461 L462	R119-F458 HydrophobicContact CG-CE2 4.22Å; M185-F458 HydrophobicContact CE-CD2 3.48Å; M185-F458 VanDerWaalsContact CE-CD2 3.48Å; M185-F458 HydrophobicContact CE-CE2 3.75Å; M185-F458 HydrophobicContact CE-CG 4.46Å; M185-F458 HydrophobicContact SD-CD2 3.67Å; M185-F458 HydrophobicContact SD-CE2 4.31Å; L360-F458 HydrophobicContact CD1-CD2 4.22Å; L360-F458 HydrophobicContact CD1-CE1 4.3Å; L360-F458 HydrophobicContact CD1-CE2 3.75Å; L360-F458 HydrophobicContact CD1-CZ 3.8Å; I379-F458 HydrophobicContact CD1-CZ 3.97Å; I379-F458 HydrophobicContact CG2-CE1 4.5Å; I379-F458 HydrophobicContact CG2-CZ 4.46Å; I448-F458 HydrophobicContact CD1-CE1 4.17Å; F449-F458 HydrophobicContact CD1-CD1 4.35Å; F449-F458 HydrophobicContact CD1-CE1 4.35Å; F449-F458 HydrophobicContact CE1-CD1 4.4Å; F449-F458 AromaticContact CE1-CE1 3.95Å; F449-F458 HydrophobicContact CE1-CE1 3.95Å; T456-F458 PolarHBondContact O-N 3.45Å; F458-R460 VanDerWaalsContact C-N 3.3Å; F458-R460 PolarHBondContact O-N 3.25Å; F458-R461 WeakPolarHBondContact O-CB 3.36Å; F458-R461 PolarHBondContact O-N 2.9Å; F458-L462 PolarHBondContact O-N 2.72Å
459	S	95.3	Very high	93	Very high	12 Å²	12	41 Å²	41	8%	0.084	18%	0.183	C	C	.	.	H	α-helix	trans	-57.6	-40.9	177.1	-72.3	0	0	0	0	113.2	F449 T456 R461 L462 V463	F449-S459 VanDerWaalsContact C-OG 3.24Å; F449-S459 WeakPolarHBondContact CA-OG 3.32Å; F449-S459 WeakPolarHBondContact CB-OG 3.46Å; F449-S459 WeakPolarHBondContact O-CB 3.37Å; F449-S459 PolarHBondContact O-OG 3.35Å; T456-S459 WeakPolarHBondContact O-CB 3.48Å; T456-S459 PolarHBondContact O-N 3.06Å; T456-S459 VanDerWaalsContact O-N 3.12Å; T456-S459 PolarHBondContact OG1-N 3.46Å; T456-S459 VanDerWaalsContact OG1-N 3.08Å; T456-S459 PolarHBondContact OG1-OG 3.03Å; S459-R461 VanDerWaalsContact C-N 3.26Å; S459-R461 PolarHBondContact O-N 3.05Å; S459-L462 PolarHBondContact O-N 3.07Å; S459-V463 WeakPolarHBondContact O-CG2 3.27Å; S459-V463 PolarHBondContact O-N 3.02Å
460	R	92.9	Very high	93	Very high	97 Å²	97	39.5 Å²	39.5	37%	0.366	18%	0.177	S	C	.	.	H	α-helix	trans	-58	-40.6	175.7	178.8	-179.7	171.9	-158.8	-4.8	111.6	A135 H137 T456 F458 R464	A135-R460 HydrophobicContact CB-CB 3.87Å; A135-R460 HydrophobicContact CB-CG 4.4Å; A135-R460 VanDerWaalsContact O-CD 3.28Å; A135-R460 WeakPolarHBondContact O-CD 3.42Å; A135-R460 PolarHBondContact O-NH1 2.77Å; H137-R460 PolarHBondContact NE2-NH1 3.06Å; H137-R460 VanDerWaalsContact NE2-NH1 3.16Å; T456-R460 PolarHBondContact O-N 3.2Å; F458-R460 VanDerWaalsContact C-N 3.3Å; F458-R460 PolarHBondContact O-N 3.25Å; R460-R464 WeakPolarHBondContact O-CB 3.34Å; R460-R464 PolarHBondContact O-N 2.78Å
461	R	90.4	Very high	93.1	Very high	43 Å²	43	33.7 Å²	33.7	16%	0.162	16%	0.156	C	C	.	.	H	α-helix	trans	-72.2	-42	176.2	-72.3	-175.6	172.2	-170.7	-1.5	111.9	M185 L360 Y457 F458 S459 V463 R464 F465	M185-R461 HydrophobicContact CE-CB 4.37Å; L360-R461 HydrophobicContact CD1-CB 4.41Å; Y457-R461 HydrophobicContact CE1-CG 4.49Å; Y457-R461 VanDerWaalsContact CE1-NH2 3.33Å; Y457-R461 PolarHBondContact O-N 2.95Å; Y457-R461 PolarHBondContact OH-NH2 3.37Å; Y457-R461 VanDerWaalsContact OH-NH2 3.09Å; F458-R461 WeakPolarHBondContact O-CB 3.36Å; F458-R461 PolarHBondContact O-N 2.9Å; S459-R461 VanDerWaalsContact C-N 3.26Å; S459-R461 PolarHBondContact O-N 3.05Å; R461-V463 PolarHBondContact O-N 3.38Å; R461-R464 PolarHBondContact O-N 2.84Å; R461-F465 HydrophobicContact CB-CD2 3.86Å; R461-F465 HydrophobicContact CB-CE2 3.75Å; R461-F465 HydrophobicContact CG-CD2 4.37Å; R461-F465 HydrophobicContact CG-CE2 3.74Å; R461-F465 WeakPolarHBondContact O-CB 3.45Å; R461-F465 VanDerWaalsContact O-CD2 3.22Å; R461-F465 WeakPolarHBondContact O-CD2 3.35Å; R461-F465 WeakPolarHBondContact O-CG 3.17Å; R461-F465 PolarHBondContact O-N 3.12Å
462	L	93.4	Very high	93.3	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-55.4	-54.4	176.9	178.1	64.4	0	0	0	110.8	L360 A377 I379 F449 F458 S459 R464 F465 S466 Y469	L360-L462 HydrophobicContact CD1-CB 3.84Å; L360-L462 HydrophobicContact CD1-CD1 4.19Å; L360-L462 HydrophobicContact CD2-CD1 3.64Å; A377-L462 HydrophobicContact CB-CD1 3.51Å; I379-L462 HydrophobicContact CD1-CD1 4.26Å; I379-L462 HydrophobicContact CG1-CD1 4.11Å; F449-L462 HydrophobicContact CD1-CD2 4.14Å; F449-L462 HydrophobicContact CE1-CD2 3.64Å; F458-L462 PolarHBondContact O-N 2.72Å; S459-L462 PolarHBondContact O-N 3.07Å; L462-R464 PolarHBondContact O-N 3.35Å; L462-F465 PolarHBondContact O-N 3.45Å; L462-S466 WeakPolarHBondContact CD1-OG 3.32Å; L462-S466 WeakPolarHBondContact O-CB 3.43Å; L462-S466 PolarHBondContact O-N 3.01Å; L462-S466 PolarHBondContact O-OG 3.13Å; L462-Y469 HydrophobicContact CD1-CG 4.33Å; L462-Y469 HydrophobicContact CD2-CD1 4.49Å; L462-Y469 HydrophobicContact CD2-CD2 4.08Å; L462-Y469 HydrophobicContact CD2-CE2 4.43Å; L462-Y469 HydrophobicContact CD2-CG 4.11Å; L462-Y469 HydrophobicContact CG-CG 4.41Å
463	V	91.8	Very high	93.7	Very high	78 Å²	78	31.3 Å²	31.3	47%	0.473	15%	0.145	S	C	.	.	H	α-helix	trans	-61.9	-33.7	179.8	175.8	0	0	0	0	111.7	N59 S459 R461	N59-V463 HydrophobicContact CB-CG1 4.46Å; S459-V463 WeakPolarHBondContact O-CG2 3.27Å; S459-V463 PolarHBondContact O-N 3.02Å; R461-V463 PolarHBondContact O-N 3.38Å
464	R	89.3	Confident	94.3	Very high	134 Å²	134	26.5 Å²	26.5	51%	0.506	12%	0.124	S	C	.	.	H	α-helix	trans	-79	-28.1	-178.8	-172.7	173.8	179.1	163.7	2.3	114.1	M368 R460 R461 L462	M368-R464 WeakPolarHBondContact CE-O 3.49Å; R460-R464 WeakPolarHBondContact O-CB 3.34Å; R460-R464 PolarHBondContact O-N 2.78Å; R461-R464 PolarHBondContact O-N 2.84Å; L462-R464 PolarHBondContact O-N 3.35Å
465	F	90.5	Very high	94.4	Very high	16 Å²	16	25.2 Å²	25.2	7%	0.07	12%	0.117	C	C	.	.	H	α-helix	trans	-115.5	-1.9	-170.5	-54.6	-36.8	0	0	0	113.9	L364 A365 M368 L369 T375 R461 L462	L364-F465 HydrophobicContact CB-CB 4.32Å; L364-F465 WeakPolarHBondContact CB-O 3.26Å; A365-F465 HydrophobicContact CB-CD1 4.01Å; A365-F465 HydrophobicContact CB-CD2 3.92Å; A365-F465 HydrophobicContact CB-CE1 4.14Å; A365-F465 HydrophobicContact CB-CE2 4.04Å; A365-F465 HydrophobicContact CB-CG 3.92Å; A365-F465 HydrophobicContact CB-CZ 4.15Å; M368-F465 VanDerWaalsContact SD-C 3.53Å; M368-F465 VanDerWaalsContact SD-CA 3.59Å; L369-F465 HydrophobicContact CD1-CD1 4.44Å; L369-F465 HydrophobicContact CD1-CE1 3.83Å; L369-F465 HydrophobicContact CD2-CE1 4.45Å; L369-F465 HydrophobicContact CG-CD1 4.45Å; L369-F465 HydrophobicContact CG-CE1 4.24Å; T375-F465 WeakPolarHBondContact CB-O 3.18Å; T375-F465 PolarHBondContact OG1-O 2.84Å; R461-F465 HydrophobicContact CB-CD2 3.86Å; R461-F465 HydrophobicContact CB-CE2 3.75Å; R461-F465 HydrophobicContact CG-CD2 4.37Å; R461-F465 HydrophobicContact CG-CE2 3.74Å; R461-F465 WeakPolarHBondContact O-CB 3.45Å; R461-F465 VanDerWaalsContact O-CD2 3.22Å; R461-F465 WeakPolarHBondContact O-CD2 3.35Å; R461-F465 WeakPolarHBondContact O-CG 3.17Å; R461-F465 PolarHBondContact O-N 3.12Å; L462-F465 PolarHBondContact O-N 3.45Å
466	S	94.2	Very high	94.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.104	C	C	.	.			trans	-128.3	132.2	177.4	70.6	0	0	0	0	110.5	N59 T375 L462 L468	N59-S466 WeakPolarHBondContact CB-O 3.24Å; N59-S466 PolarHBondContact ND2-O 3.27Å; N59-S466 PolarHBondContact ND2-OG 2.95Å; T375-S466 VanDerWaalsContact OG1-CA 3.32Å; T375-S466 WeakPolarHBondContact OG1-CA 3.1Å; L462-S466 WeakPolarHBondContact CD1-OG 3.32Å; L462-S466 WeakPolarHBondContact O-CB 3.43Å; L462-S466 PolarHBondContact O-N 3.01Å; L462-S466 PolarHBondContact O-OG 3.13Å; S466-L468 WeakPolarHBondContact CB-O 3.37Å
467	D	95.3	Very high	94.4	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.011	11%	0.109	C	C	.	.	S	Bend	trans	-79.8	-38	168.5	-65.7	-65.8	0	0	0	111.3	A58 N59 N60 I62 R374 T375	A58-D467 WeakPolarHBondContact CA-O 3.12Å; N59-D467 PolarHBondContact N-O 2.98Å; N60-D467 HydrophobicContact CB-CB 4.3Å; N60-D467 VanDerWaalsContact CB-OD1 3.27Å; N60-D467 WeakPolarHBondContact CB-OD1 3.34Å; N60-D467 PolarHBondContact N-O 3.09Å; N60-D467 PolarHBondContact ND2-OD1 3.26Å; I62-D467 HydrophobicContact CD1-CB 3.13Å; I62-D467 HydrophobicContact CG1-CB 4.1Å; R374-D467 WeakPolarHBondContact CA-OD2 3.4Å; R374-D467 IonicContact CZ-OD1 3.91Å; R374-D467 IonicContact CZ-OD2 2.93Å; R374-D467 IonicContact NE-OD2 3.63Å; R374-D467 IonicContact NH1-OD1 2.61Å; R374-D467 PolarHBondContact NH1-OD1 3.09Å; R374-D467 IonicContact NH1-OD2 3.5Å; R374-D467 PolarHBondContact NH1-OD2 3.41Å; R374-D467 VanDerWaalsContact NH1-OD2 3.13Å; R374-D467 IonicContact NH2-OD1 3.48Å; T375-D467 PolarHBondContact N-OD2 3.09Å; T375-D467 VanDerWaalsContact N-OD2 3.13Å; T375-D467 PolarHBondContact O-N 3.09Å
468	L	96.7	Very high	94.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	150.6	173.2	-55.8	178	0	0	0	110.3	I56 Y57 A58 I62 T375 G376 A377 S466 M470 F485	I56-L468 HydrophobicContact CG2-CB 3.96Å; I56-L468 HydrophobicContact CG2-CD1 4.15Å; I56-L468 HydrophobicContact CG2-CD2 4.09Å; I56-L468 HydrophobicContact CG2-CG 4.27Å; Y57-L468 CarbonylContact O-C 3.54Å; Y57-L468 WeakPolarHBondContact O-CA 3.42Å; A58-L468 HydrophobicContact CB-CD2 3.72Å; I62-L468 HydrophobicContact CB-CD2 4.42Å; I62-L468 HydrophobicContact CD1-CD1 4.26Å; I62-L468 HydrophobicContact CD1-CD2 4.27Å; I62-L468 HydrophobicContact CD1-CG 3.87Å; I62-L468 HydrophobicContact CG2-CD1 4.45Å; T375-L468 PolarHBondContact O-N 2.7Å; T375-L468 VanDerWaalsContact O-N 3.11Å; G376-L468 CarbonylContact C-O 3.26Å; G376-L468 VanDerWaalsContact CA-O 3.28Å; G376-L468 WeakPolarHBondContact CA-O 3.25Å; A377-L468 PolarHBondContact N-O 3.36Å; S466-L468 WeakPolarHBondContact CB-O 3.37Å; L468-M470 HydrophobicContact CB-CE 4.4Å; L468-F485 HydrophobicContact CD1-CD2 3.98Å; L468-F485 HydrophobicContact CD1-CE2 4.07Å; L468-F485 HydrophobicContact CD2-CB 3.93Å; L468-F485 HydrophobicContact CD2-CD2 3.92Å; L468-F485 HydrophobicContact CD2-CG 3.91Å
469	Y	97.1	Very high	94.5	Very high	47 Å²	47	24.7 Å²	24.7	18%	0.184	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	149.7	166	65.9	-82	0	0	0	111.3	Y57 N59 A377 L382 L462	Y57-Y469 WeakPolarHBondContact CB-OH 2.87Å; Y57-Y469 HydrophobicContact CD2-CD2 4.4Å; Y57-Y469 AromaticContact CD2-CE2 3.98Å; Y57-Y469 HydrophobicContact CD2-CE2 3.98Å; Y57-Y469 HydrophobicContact CG-CE1 4.47Å; Y57-Y469 AromaticContact CG-CE2 3.84Å; Y57-Y469 HydrophobicContact CG-CE2 3.84Å; Y57-Y469 AromaticContact CG-CZ 3.82Å; Y57-Y469 PolarHBondContact N-O 3.45Å; Y57-Y469 WeakPolarHBondContact O-CD1 3.45Å; Y57-Y469 PolarHBondContact O-N 2.83Å; N59-Y469 WeakPolarHBondContact OD1-CE1 3.02Å; A377-Y469 VanDerWaalsContact O-CA 3.27Å; A377-Y469 WeakPolarHBondContact O-CA 3.44Å; L382-Y469 HydrophobicContact CD1-CE2 4.21Å; L382-Y469 HydrophobicContact CD2-CD2 3.84Å; L382-Y469 HydrophobicContact CD2-CE2 4.03Å; L462-Y469 HydrophobicContact CD1-CG 4.33Å; L462-Y469 HydrophobicContact CD2-CD1 4.49Å; L462-Y469 HydrophobicContact CD2-CD2 4.08Å; L462-Y469 HydrophobicContact CD2-CE2 4.43Å; L462-Y469 HydrophobicContact CD2-CG 4.11Å; L462-Y469 HydrophobicContact CG-CG 4.41Å
470	M	97.3	Very high	94.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	162.9	-174.6	63.4	-164.9	76.6	0	0	111	I56 F356 A377 I378 I379 L468 S472 C475 L476	I56-M470 HydrophobicContact CB-CE 4.33Å; I56-M470 HydrophobicContact CD1-CE 3.66Å; I56-M470 HydrophobicContact CD1-SD 4.01Å; I56-M470 HydrophobicContact CG1-CB 4.05Å; I56-M470 HydrophobicContact CG1-CE 3.67Å; I56-M470 HydrophobicContact CG1-SD 3.92Å; I56-M470 HydrophobicContact CG2-CE 3.79Å; F356-M470 HydrophobicContact CD1-CE 4.46Å; F356-M470 HydrophobicContact CE1-CE 3.64Å; F356-M470 HydrophobicContact CE1-SD 4.37Å; A377-M470 PolarHBondContact O-N 3.06Å; I378-M470 HydrophobicContact CD1-CG 3.62Å; I378-M470 HydrophobicContact CD1-SD 4.01Å; I379-M470 PolarHBondContact N-O 3.27Å; L468-M470 HydrophobicContact CB-CE 4.4Å; M470-S472 WeakPolarHBondContact CG-O 3.47Å; M470-S472 VanDerWaalsContact SD-O 3.41Å; M470-C475 HydrophobicContact CB-CB 4.04Å; M470-C475 HydrophobicContact CG-CB 4.39Å; M470-C475 HydrophobicContact SD-CB 4.03Å; M470-L476 HydrophobicContact SD-CG 4.41Å
471	A	95.9	Very high	94.4	Very high	4 Å²	4	26.9 Å²	26.9	3%	0.033	12%	0.12	C	C	.	.	S	Bend	trans	-73.2	-32.5	179.2	0	0	0	0	0	113	Q80 I379 P380 L382 E383	Q80-A471 PolarHBondContact NE2-O 3.33Å; I379-A471 WeakPolarHBondContact O-CA 3.39Å; P380-A471 WeakPolarHBondContact CA-O 3.48Å; L382-A471 HydrophobicContact CB-CB 4.26Å; E383-A471 HydrophobicContact CB-CB 3.81Å
472	S	95.9	Very high	94.6	Very high	3 Å²	3	28 Å²	28	2%	0.021	13%	0.13	C	C	.	.			trans	-155.2	152.5	-176.9	175.7	0	0	0	0	110.3	Q80 R246 M470 S474 C475	Q80-S472 PolarHBondContact OE1-OG 3.1Å; R246-S472 VanDerWaalsContact CD-OG 3.27Å; R246-S472 WeakPolarHBondContact CD-OG 3.49Å; M470-S472 WeakPolarHBondContact CG-O 3.47Å; M470-S472 VanDerWaalsContact SD-O 3.41Å; S472-S474 WeakPolarHBondContact CB-OG 3.34Å; S472-S474 PolarHBondContact O-N 3.06Å; S472-S474 PolarHBondContact OG-N 3.1Å; S472-S474 PolarHBondContact OG-OG 3.08Å; S472-C475 VanDerWaalsContact O-CB 3.24Å; S472-C475 WeakPolarHBondContact O-CB 3.48Å; S472-C475 PolarHBondContact O-N 3.36Å; S472-C475 PolarHBondContact O-SG 3.43Å
473	L	95.6	Very high	94.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-59.2	-29.3	176.5	-168.4	69.1	0	0	0	112.2	F72 L78 V253 F356 I378 C475 L476	F72-L473 HydrophobicContact CD1-CD1 4.32Å; F72-L473 HydrophobicContact CD1-CD2 4.05Å; F72-L473 HydrophobicContact CE1-CD1 3.86Å; F72-L473 HydrophobicContact CE1-CD2 3.78Å; F72-L473 HydrophobicContact CE1-CG 4.48Å; L78-L473 HydrophobicContact CD2-CD2 3.7Å; V253-L473 HydrophobicContact CB-CD2 4.38Å; V253-L473 HydrophobicContact CB-CG 4.48Å; V253-L473 HydrophobicContact CG1-CD2 3.96Å; V253-L473 HydrophobicContact CG1-CG 3.98Å; V253-L473 HydrophobicContact CG2-CG 4.44Å; F356-L473 HydrophobicContact CD1-CD1 4.06Å; F356-L473 HydrophobicContact CD2-CD1 4.3Å; F356-L473 HydrophobicContact CE1-CD1 4.29Å; F356-L473 HydrophobicContact CG-CD1 4.06Å; I378-L473 HydrophobicContact CD1-CB 4.45Å; I378-L473 HydrophobicContact CD1-CD1 4.43Å; L473-C475 PolarHBondContact O-N 3.23Å; L473-L476 HydrophobicContact CD1-CD1 3.52Å; L473-L476 HydrophobicContact CG-CD1 4.14Å; L473-L476 WeakPolarHBondContact O-CB 3.4Å; L473-L476 PolarHBondContact O-N 3.33Å
474	S	95.5	Very high	95.1	Very high	9 Å²	9	29.2 Å²	29.2	6%	0.063	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-54	-21.5	173.3	62.9	0	0	0	0	113.8	S472 L476 L477	S472-S474 WeakPolarHBondContact CB-OG 3.34Å; S472-S474 PolarHBondContact O-N 3.06Å; S472-S474 PolarHBondContact OG-N 3.1Å; S472-S474 PolarHBondContact OG-OG 3.08Å; S474-L476 PolarHBondContact O-N 2.97Å; S474-L477 VanDerWaalsContact O-CB 3.26Å; S474-L477 WeakPolarHBondContact O-CB 3.24Å; S474-L477 WeakPolarHBondContact O-CG 3.41Å; S474-L477 PolarHBondContact O-N 3.38Å
475	C	96	Very high	95.4	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.014	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-59.8	-28.1	175.3	-61	0	0	0	0	112	A54 I56 M470 S472 L473 L477 N478 Y479	A54-C475 WeakPolarHBondContact O-CB 3.15Å; A54-C475 PolarHBondContact O-SG 2.66Å; I56-C475 HydrophobicContact CD1-CB 4.26Å; I56-C475 HydrophobicContact CG1-CB 3.74Å; M470-C475 HydrophobicContact CB-CB 4.04Å; M470-C475 HydrophobicContact CG-CB 4.39Å; M470-C475 HydrophobicContact SD-CB 4.03Å; S472-C475 VanDerWaalsContact O-CB 3.24Å; S472-C475 WeakPolarHBondContact O-CB 3.48Å; S472-C475 PolarHBondContact O-N 3.36Å; S472-C475 PolarHBondContact O-SG 3.43Å; L473-C475 PolarHBondContact O-N 3.23Å; C475-L477 PolarHBondContact O-N 2.84Å; C475-N478 WeakPolarHBondContact O-CB 3Å; C475-N478 PolarHBondContact O-N 3.41Å; C475-N478 VanDerWaalsContact O-N 3.09Å; C475-N478 PolarHBondContact O-ND2 3.38Å; C475-Y479 VanDerWaalsContact O-CD2 3.3Å; C475-Y479 WeakPolarHBondContact O-CD2 3.28Å
476	L	96.3	Very high	95.5	Very high	15 Å²	15	29.8 Å²	29.8	8%	0.079	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-61.1	-25.2	174.6	-72.8	169	0	0	0	112.9	I56 L64 V253 R256 F356 M470 L473 S474 N478 Y479	I56-L476 HydrophobicContact CD1-CD2 3.61Å; I56-L476 HydrophobicContact CD1-CG 4.06Å; L64-L476 HydrophobicContact CD1-CD2 4.4Å; V253-L476 HydrophobicContact CG1-CB 4.47Å; V253-L476 HydrophobicContact CG1-CD1 3.97Å; V253-L476 HydrophobicContact CG2-CB 4.44Å; R256-L476 PolarHBondContact NH1-O 3.08Å; R256-L476 VanDerWaalsContact NH1-O 3.14Å; F356-L476 HydrophobicContact CE2-CD1 4.42Å; F356-L476 HydrophobicContact CZ-CD1 4Å; M470-L476 HydrophobicContact SD-CG 4.41Å; L473-L476 HydrophobicContact CD1-CD1 3.52Å; L473-L476 HydrophobicContact CG-CD1 4.14Å; L473-L476 WeakPolarHBondContact O-CB 3.4Å; L473-L476 PolarHBondContact O-N 3.33Å; S474-L476 PolarHBondContact O-N 2.97Å; L476-N478 PolarHBondContact O-N 3.01Å; L476-Y479 PolarHBondContact O-N 3.28Å
477	L	95.4	Very high	95.3	Very high	23 Å²	23	32.4 Å²	32.4	12%	0.12	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-64.7	-23.3	176.8	-59.4	175.3	0	0	0	112.2	E249 A252 V253 R256 S474 C475 Y479	E249-L477 HydrophobicContact CB-CD1 4.18Å; A252-L477 HydrophobicContact CB-CD1 4.04Å; A252-L477 HydrophobicContact CB-CD2 4.12Å; V253-L477 HydrophobicContact CB-CD2 4.49Å; V253-L477 HydrophobicContact CG2-CD1 4.21Å; V253-L477 HydrophobicContact CG2-CD2 3.69Å; V253-L477 HydrophobicContact CG2-CG 3.67Å; R256-L477 PolarHBondContact NH1-O 3.47Å; S474-L477 VanDerWaalsContact O-CB 3.26Å; S474-L477 WeakPolarHBondContact O-CB 3.24Å; S474-L477 WeakPolarHBondContact O-CG 3.41Å; S474-L477 PolarHBondContact O-N 3.38Å; C475-L477 PolarHBondContact O-N 2.84Å; L477-Y479 VanDerWaalsContact C-N 3.27Å; L477-Y479 PolarHBondContact O-N 3Å
478	N	94	Very high	94.8	Very high	11 Å²	11	38 Å²	38	6%	0.059	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-74.2	-12.4	178.1	-71.2	-52.8	0	0	0	115	A54 C475 L476 R520	A54-N478 PolarHBondContact O-ND2 2.94Å; C475-N478 WeakPolarHBondContact O-CB 3Å; C475-N478 PolarHBondContact O-N 3.41Å; C475-N478 VanDerWaalsContact O-N 3.09Å; C475-N478 PolarHBondContact O-ND2 3.38Å; L476-N478 PolarHBondContact O-N 3.01Å; N478-R520 PolarHBondContact ND2-NH2 3.34Å; N478-R520 PolarHBondContact OD1-NH1 2.9Å; N478-R520 PolarHBondContact OD1-NH2 3Å
479	Y	94.9	Very high	94	Very high	19 Å²	19	45 Å²	45	8%	0.075	20%	0.199	C	C	.	.	S	Bend	trans	-122.5	154.9	-170.8	-59.2	-87.1	0	0	0	110.2	A55 I56 R256 C475 L476 L477 F483 F485	A55-Y479 WeakPolarHBondContact CA-OH 3.44Å; I56-Y479 HydrophobicContact CB-CE2 3.97Å; I56-Y479 HydrophobicContact CD1-CD2 3.71Å; I56-Y479 HydrophobicContact CD1-CE2 3.79Å; I56-Y479 HydrophobicContact CG1-CD2 4.19Å; I56-Y479 HydrophobicContact CG1-CE2 3.72Å; I56-Y479 PolarHBondContact N-OH 3.08Å; I56-Y479 VanDerWaalsContact N-OH 3.09Å; R256-Y479 PolarHBondContact NH1-O 3.34Å; R256-Y479 PolarHBondContact NH2-O 3.44Å; C475-Y479 VanDerWaalsContact O-CD2 3.3Å; C475-Y479 WeakPolarHBondContact O-CD2 3.28Å; L476-Y479 PolarHBondContact O-N 3.28Å; L477-Y479 VanDerWaalsContact C-N 3.27Å; L477-Y479 PolarHBondContact O-N 3Å; Y479-F483 AromaticContact CD1-CD1 3.69Å; Y479-F483 HydrophobicContact CD1-CD1 3.69Å; Y479-F483 AromaticContact CD1-CD2 3.99Å; Y479-F483 HydrophobicContact CD1-CD2 3.99Å; Y479-F483 AromaticContact CD1-CE1 3.69Å; Y479-F483 HydrophobicContact CD1-CE1 3.69Å; Y479-F483 AromaticContact CD1-CE2 3.99Å; Y479-F483 HydrophobicContact CD1-CE2 3.99Å; Y479-F483 AromaticContact CD1-CG 3.85Å; Y479-F483 HydrophobicContact CD1-CG 3.85Å; Y479-F483 AromaticContact CD1-CZ 3.84Å; Y479-F483 HydrophobicContact CD1-CZ 3.84Å; Y479-F483 HydrophobicContact CE1-CD1 4.38Å; Y479-F483 AromaticContact CE1-CE1 3.95Å; Y479-F483 HydrophobicContact CE1-CE1 3.95Å; Y479-F483 HydrophobicContact CE1-CE2 4.5Å; Y479-F483 HydrophobicContact CE1-CZ 4.02Å; Y479-F483 HydrophobicContact CG-CD1 4.37Å; Y479-F483 HydrophobicContact CG-CG 4.42Å; Y479-F485 AromaticContact CD1-CE1 3.8Å; Y479-F485 HydrophobicContact CD1-CE1 3.8Å; Y479-F485 AromaticContact CD1-CZ 3.94Å; Y479-F485 HydrophobicContact CD1-CZ 3.94Å; Y479-F485 HydrophobicContact CD2-CE1 4.28Å; Y479-F485 HydrophobicContact CD2-CZ 4.01Å; Y479-F485 AromaticContact CE1-CE1 3.68Å; Y479-F485 HydrophobicContact CE1-CE1 3.68Å; Y479-F485 HydrophobicContact CE1-CZ 4.25Å; Y479-F485 HydrophobicContact CE2-CE1 4.18Å; Y479-F485 HydrophobicContact CE2-CZ 4.32Å; Y479-F485 HydrophobicContact CG-CE1 4.1Å; Y479-F485 AromaticContact CG-CZ 3.81Å; Y479-F485 HydrophobicContact CG-CZ 3.81Å; Y479-F485 AromaticContact CZ-CE1 3.87Å
480	R	94.2	Very high	93.2	Very high	129 Å²	129	48.5 Å²	48.5	49%	0.487	23%	0.225	S	C	.	.			trans	-73.4	153.5	170.5	-65.2	171.3	51.8	109.9	-1.8	110.1	D482 F483	R480-D482 WeakPolarHBondContact CB-OD1 3.47Å; R480-D482 IonicContact CZ-OD1 3.72Å; R480-D482 IonicContact CZ-OD2 3.25Å; R480-D482 IonicContact NE-OD1 3.79Å; R480-D482 PolarHBondContact NE-OD1 3.25Å; R480-D482 IonicContact NE-OD2 2.72Å; R480-D482 IonicContact NH2-OD1 2.76Å; R480-D482 IonicContact NH2-OD2 2.75Å; R480-D482 PolarHBondContact NH2-OD2 3.44Å; R480-D482 PolarHBondContact O-N 3.43Å; R480-D482 VanDerWaalsContact O-N 3.13Å; R480-F483 WeakPolarHBondContact O-CB 3.41Å; R480-F483 PolarHBondContact O-N 2.81Å
481	V	93.8	Very high	92.3	Very high	26 Å²	26	51.6 Å²	51.6	16%	0.158	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-9.2	177.7	-63.8	0	0	0	0	113.6	L64 R65 R256 H260	L64-V481 CarbonylContact C-O 3.46Å; L64-V481 WeakPolarHBondContact CB-O 3.25Å; R65-V481 PolarHBondContact N-O 3.08Å; R256-V481 HydrophobicContact CG-CG1 4.35Å; H260-V481 HydrophobicContact CB-CG1 4.42Å; H260-V481 HydrophobicContact CB-CG2 4.23Å; H260-V481 WeakPolarHBondContact CD2-CG2 3.19Å
482	D	94.8	Very high	91.9	Very high	67 Å²	67	56 Å²	56	36%	0.358	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	9.3	173.8	61.1	-3.7	0	0	0	112.6	R65 R480	R65-D482 HydrophobicContact CB-CB 4.26Å; R480-D482 WeakPolarHBondContact CB-OD1 3.47Å; R480-D482 IonicContact CZ-OD1 3.72Å; R480-D482 IonicContact CZ-OD2 3.25Å; R480-D482 IonicContact NE-OD1 3.79Å; R480-D482 PolarHBondContact NE-OD1 3.25Å; R480-D482 IonicContact NE-OD2 2.72Å; R480-D482 IonicContact NH2-OD1 2.76Å; R480-D482 IonicContact NH2-OD2 2.75Å; R480-D482 PolarHBondContact NH2-OD2 3.44Å; R480-D482 PolarHBondContact O-N 3.43Å; R480-D482 VanDerWaalsContact O-N 3.13Å
483	F	96.8	Very high	91.3	Very high	75 Å²	75	65.3 Å²	65.3	33%	0.329	31%	0.311	S	S	.	.			trans	-65.3	143.1	-179.1	-168.9	-92.6	0	0	0	111.3	L64 Y479 R480 F485	L64-F483 WeakPolarHBondContact CB-O 3.17Å; L64-F483 HydrophobicContact CD1-CB 4.44Å; L64-F483 WeakPolarHBondContact CG-O 3.43Å; L64-F483 PolarHBondContact N-O 2.78Å; Y479-F483 AromaticContact CD1-CD1 3.69Å; Y479-F483 HydrophobicContact CD1-CD1 3.69Å; Y479-F483 AromaticContact CD1-CD2 3.99Å; Y479-F483 HydrophobicContact CD1-CD2 3.99Å; Y479-F483 AromaticContact CD1-CE1 3.69Å; Y479-F483 HydrophobicContact CD1-CE1 3.69Å; Y479-F483 AromaticContact CD1-CE2 3.99Å; Y479-F483 HydrophobicContact CD1-CE2 3.99Å; Y479-F483 AromaticContact CD1-CG 3.85Å; Y479-F483 HydrophobicContact CD1-CG 3.85Å; Y479-F483 AromaticContact CD1-CZ 3.84Å; Y479-F483 HydrophobicContact CD1-CZ 3.84Å; Y479-F483 HydrophobicContact CE1-CD1 4.38Å; Y479-F483 AromaticContact CE1-CE1 3.95Å; Y479-F483 HydrophobicContact CE1-CE1 3.95Å; Y479-F483 HydrophobicContact CE1-CE2 4.5Å; Y479-F483 HydrophobicContact CE1-CZ 4.02Å; Y479-F483 HydrophobicContact CG-CD1 4.37Å; Y479-F483 HydrophobicContact CG-CG 4.42Å; R480-F483 WeakPolarHBondContact O-CB 3.41Å; R480-F483 PolarHBondContact O-N 2.81Å; F483-F485 AromaticContact CD1-CD1 3.82Å; F483-F485 HydrophobicContact CD1-CD1 3.82Å; F483-F485 AromaticContact CD1-CE1 3.62Å; F483-F485 HydrophobicContact CD1-CD2 4.01Å; F483-F485 HydrophobicContact CE1-CZ 4.08Å; F483-F485 HydrophobicContact CE1-CG 4.01Å; F483-F485 HydrophobicContact CE1-CE1 3.55Å; F483-F485 AromaticContact CE1-CE1 3.55Å; F483-F485 HydrophobicContact CE1-CD2 4.49Å; F483-F485 HydrophobicContact CE1-CD1 3.53Å; F483-F485 AromaticContact CE1-CD1 3.53Å; F483-F485 AromaticContact CD1-CZ 3.64Å; F483-F485 HydrophobicContact CD1-CG 3.99Å; F483-F485 AromaticContact CD1-CG 3.99Å; F483-F485 HydrophobicContact CD1-CE2 3.85Å; F483-F485 AromaticContact CD1-CE2 3.85Å; F483-F485 HydrophobicContact CD1-CE1 3.62Å; F483-F485 HydrophobicContact CD1-CZ 3.64Å
484	T	97	Very high	90.9	Very high	32 Å²	32	72.8 Å²	72.8	20%	0.196	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122	175.5	-55.8	0	0	0	0	109.7	E61 I62 S63 Y486	E61-T484 HydrophobicContact CG-CG2 4.31Å; I62-T484 CarbonylContact O-C 3.49Å; I62-T484 VanDerWaalsContact O-CA 3.29Å; I62-T484 WeakPolarHBondContact O-CA 3.22Å; S63-T484 WeakPolarHBondContact CB-OG1 3.28Å; S63-T484 PolarHBondContact OG-OG1 3.15Å; T484-Y486 HydrophobicContact CG2-CE1 3.85Å; T484-Y486 HydrophobicContact CG2-CE2 3.87Å; T484-Y486 VanDerWaalsContact CG2-CZ 3.48Å; T484-Y486 WeakPolarHBondContact CG2-OH 3.22Å
485	F	95.8	Very high	90.1	Very high	10 Å²	10	74.9 Å²	74.9	4%	0.044	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	134	174.6	-61.2	-83.2	0	0	0	110.1	I56 A58 E61 I62 L64 L468 Y479 F483	I56-F485 HydrophobicContact CB-CD1 4.34Å; I56-F485 HydrophobicContact CB-CE1 3.59Å; I56-F485 HydrophobicContact CB-CZ 3.87Å; I56-F485 HydrophobicContact CD1-CE1 4.33Å; I56-F485 HydrophobicContact CD1-CE2 4.5Å; I56-F485 HydrophobicContact CD1-CZ 3.72Å; I56-F485 HydrophobicContact CG1-CE1 4.48Å; I56-F485 HydrophobicContact CG1-CZ 4.35Å; I56-F485 HydrophobicContact CG2-CD1 4.16Å; I56-F485 HydrophobicContact CG2-CE1 3.79Å; I56-F485 HydrophobicContact CG2-CE2 4.42Å; I56-F485 HydrophobicContact CG2-CZ 3.92Å; A58-F485 HydrophobicContact CB-CB 3.73Å; E61-F485 CarbonylContact C-O 3.51Å; E61-F485 VanDerWaalsContact CA-O 3.24Å; E61-F485 WeakPolarHBondContact CA-O 3.14Å; I62-F485 PolarHBondContact N-O 3.44Å; I62-F485 PolarHBondContact O-N 3.19Å; L64-F485 HydrophobicContact CD1-CE2 3.84Å; L64-F485 HydrophobicContact CD2-CE2 4.16Å; L64-F485 HydrophobicContact CG-CD2 4.43Å; L64-F485 HydrophobicContact CG-CE2 3.88Å; L468-F485 HydrophobicContact CD1-CD2 3.98Å; L468-F485 HydrophobicContact CD1-CE2 4.07Å; L468-F485 HydrophobicContact CD2-CB 3.93Å; L468-F485 HydrophobicContact CD2-CD2 3.92Å; L468-F485 HydrophobicContact CD2-CG 3.91Å; Y479-F485 AromaticContact CD1-CE1 3.8Å; Y479-F485 HydrophobicContact CD1-CE1 3.8Å; Y479-F485 AromaticContact CD1-CZ 3.94Å; Y479-F485 HydrophobicContact CD1-CZ 3.94Å; Y479-F485 HydrophobicContact CD2-CE1 4.28Å; Y479-F485 HydrophobicContact CD2-CZ 4.01Å; Y479-F485 AromaticContact CE1-CE1 3.68Å; Y479-F485 HydrophobicContact CE1-CE1 3.68Å; Y479-F485 HydrophobicContact CE1-CZ 4.25Å; Y479-F485 HydrophobicContact CE2-CE1 4.18Å; Y479-F485 HydrophobicContact CE2-CZ 4.32Å; Y479-F485 HydrophobicContact CG-CE1 4.1Å; Y479-F485 AromaticContact CG-CZ 3.81Å; Y479-F485 HydrophobicContact CG-CZ 3.81Å; Y479-F485 AromaticContact CZ-CE1 3.87Å; F483-F485 AromaticContact CD1-CD1 3.82Å; F483-F485 HydrophobicContact CD1-CD1 3.82Å; F483-F485 AromaticContact CD1-CE1 3.62Å; F483-F485 HydrophobicContact CD1-CD2 4.01Å; F483-F485 HydrophobicContact CE1-CZ 4.08Å; F483-F485 HydrophobicContact CE1-CG 4.01Å; F483-F485 HydrophobicContact CE1-CE1 3.55Å; F483-F485 AromaticContact CE1-CE1 3.55Å; F483-F485 HydrophobicContact CE1-CD2 4.49Å; F483-F485 HydrophobicContact CE1-CD1 3.53Å; F483-F485 AromaticContact CE1-CD1 3.53Å; F483-F485 AromaticContact CD1-CZ 3.64Å; F483-F485 HydrophobicContact CD1-CG 3.99Å; F483-F485 AromaticContact CD1-CG 3.99Å; F483-F485 HydrophobicContact CD1-CE2 3.85Å; F483-F485 AromaticContact CD1-CE2 3.85Å; F483-F485 HydrophobicContact CD1-CE1 3.62Å; F483-F485 HydrophobicContact CD1-CZ 3.64Å
486	Y	92.8	Very high	89	Confident	151 Å²	151	78.2 Å²	78.2	59%	0.592	38%	0.382	S	S	*	.			trans	-115	134.5	176.4	-60.7	-80.3	0	0	0	109.9	E61 T484	E61-Y486 HydrophobicContact CG-CD1 3.81Å; E61-Y486 HydrophobicContact CG-CE1 3.95Å; E61-Y486 WeakPolarHBondContact OE1-CE1 3.5Å; T484-Y486 HydrophobicContact CG2-CE1 3.85Å; T484-Y486 HydrophobicContact CG2-CE2 3.87Å; T484-Y486 VanDerWaalsContact CG2-CZ 3.48Å; T484-Y486 WeakPolarHBondContact CG2-OH 3.22Å
487	P	90.9	Very high	87.4	Confident	55 Å²	55	82.2 Å²	82.2	36%	0.357	41%	0.409	S	S	.	.			trans	-71.7	144.8	176.5	31	-34	0	0	0	110.2	N59	N59-P487 WeakPolarHBondContact O-CB 3.1Å
488	R	83.7	Confident	85.5	Confident	121 Å²	121	87.1 Å²	87.1	46%	0.457	44%	0.435	S	S	.	.			trans	-73.5	133.8	173.6	-68.9	-176	176.3	172	-1.3	110.1	T490 T505	R488-T490 PolarHBondContact O-N 3.27Å; R488-T490 VanDerWaalsContact O-N 3.15Å; R488-T505 PolarHBondContact NH2-O 2.78Å
489	R	80.9	Confident	83.5	Confident	146 Å²	146	95.3 Å²	95.3	55%	0.551	47%	0.465	S	S	*	.			trans	-68.8	111.2	175.1	-169.9	179.7	-173.4	-76.2	-7.8	109.1	P491 E495	R489-P491 WeakPolarHBondContact O-CD 3.22Å; R489-E495 IonicContact CZ-OE1 2.66Å; R489-E495 IonicContact CZ-OE2 2.79Å; R489-E495 IonicContact NH1-OE1 2.89Å; R489-E495 IonicContact NH1-OE2 3.78Å; R489-E495 PolarHBondContact NH1-OE2 3.31Å; R489-E495 VanDerWaalsContact NH2-CD 3.28Å; R489-E495 IonicContact NH2-OE1 3.2Å; R489-E495 PolarHBondContact NH2-OE1 3.45Å; R489-E495 IonicContact NH2-OE2 3.9Å; R489-E495 PolarHBondContact NH2-OE2 3.33Å
490	T	79.9	Confident	80.9	Confident	120 Å²	120	100.6 Å²	100.6	74%	0.736	49%	0.492	S	S	*	.			trans	-83.7	114	173	-58.6	0	0	0	0	108.3	R488	R488-T490 PolarHBondContact O-N 3.27Å; R488-T490 VanDerWaalsContact O-N 3.15Å
491	P	79.3	Confident	78.4	Confident	65 Å²	65	98.6 Å²	98.6	42%	0.422	49%	0.491	S	S	.	.			trans	-66	139.2	-178.8	26.7	-33.4	0	0	0	110.9	R489 E495	R489-P491 WeakPolarHBondContact O-CD 3.22Å; P491-E495 HydrophobicContact CB-CB 4.28Å; P491-E495 WeakPolarHBondContact CA-OE2 3.49Å; P491-E495 VanDerWaalsContact CA-OE2 3.26Å
492	L	86.2	Confident	76.1	Confident	96 Å²	96	104.5 Å²	104.5	50%	0.503	52%	0.517	S	S	.	.			trans	-71.5	158.5	170.2	-57.4	176.6	0	0	0	109.9	H494 E495	L492-H494 VanDerWaalsContact CD1-CE1 3.5Å; L492-H494 PolarHBondContact O-N 2.98Å; L492-H494 WeakPolarHBondContact CD1-CE1 3.4Å; L492-E495 HydrophobicContact CB-CG 3.99Å; L492-E495 PolarHBondContact N-OE2 3.37Å; L492-E495 WeakPolarHBondContact O-CB 3.41Å; L492-E495 PolarHBondContact O-N 3.26Å
493	Q	84.2	Confident	73.4	Confident	199 Å²	199	105.3 Å²	105.3	93%	0.93	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-21	-176.9	-67.8	-66.6	-47	0	0	114.4
494	H	87.1	Confident	70.5	Confident	158 Å²	158	106.4 Å²	106.4	73%	0.731	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	2.9	177.2	61.1	-93.5	0	0	0	113.4	L492	L492-H494 VanDerWaalsContact CD1-CE1 3.5Å; L492-H494 PolarHBondContact O-N 2.98Å; L492-H494 WeakPolarHBondContact CD1-CE1 3.4Å
495	E	79	Confident	68	Low	52 Å²	52	108.3 Å²	108.3	24%	0.243	55%	0.548	C	S	.	.	S	Bend	trans	-92.5	141.6	176.9	-67.2	-179.3	156	0	0	110.2	R489 P491 L492	R489-E495 IonicContact CZ-OE1 2.66Å; R489-E495 IonicContact CZ-OE2 2.79Å; R489-E495 IonicContact NH1-OE1 2.89Å; R489-E495 IonicContact NH1-OE2 3.78Å; R489-E495 PolarHBondContact NH1-OE2 3.31Å; R489-E495 VanDerWaalsContact NH2-CD 3.28Å; R489-E495 IonicContact NH2-OE1 3.2Å; R489-E495 PolarHBondContact NH2-OE1 3.45Å; R489-E495 IonicContact NH2-OE2 3.9Å; R489-E495 PolarHBondContact NH2-OE2 3.33Å; P491-E495 HydrophobicContact CB-CB 4.28Å; P491-E495 WeakPolarHBondContact CA-OE2 3.49Å; P491-E495 VanDerWaalsContact CA-OE2 3.26Å; L492-E495 HydrophobicContact CB-CG 3.99Å; L492-E495 PolarHBondContact N-OE2 3.37Å; L492-E495 WeakPolarHBondContact O-CB 3.41Å; L492-E495 PolarHBondContact O-N 3.26Å
496	A	73.1	Confident	65.3	Low	72 Å²	72	108.2 Å²	108.2	60%	0.595	55%	0.55	S	S	*	*			trans	-60.1	133.3	175.6	0	0	0	0	0	109.7	L498	A496-L498 VanDerWaalsContact C-N 3.28Å; A496-L498 PolarHBondContact O-N 2.95Å
497	P	60.8	Low	63	Low	100 Å²	100	103.2 Å²	103.2	65%	0.649	54%	0.536	S	S	*	.			trans	-69.5	89.2	175.2	27.3	-31.5	0	0	0	108.7	W499	P497-W499 PolarHBondContact O-N 3.43Å
498	L	57.3	Low	60.5	Low	125 Å²	125	108.1 Å²	108.1	65%	0.654	56%	0.556	S	S	*	*			trans	-72.5	97.5	168.5	-66.5	172.1	0	0	0	107.2	A496 M500	A496-L498 VanDerWaalsContact C-N 3.28Å; A496-L498 PolarHBondContact O-N 2.95Å; L498-M500 PolarHBondContact O-N 3.1Å
499	W	51.1	Low	58.3	Low	184 Å²	184	111.3 Å²	111.3	70%	0.697	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	-10.7	177.8	-86.5	21.5	0	0	0	114.2	P497 D501 Q502	P497-W499 PolarHBondContact O-N 3.43Å; W499-D501 PolarHBondContact O-N 3.32Å; W499-Q502 PolarHBondContact O-N 3.23Å
500	M	40.8	Very low	56.3	Low	129 Å²	129	106.2 Å²	106.2	64%	0.635	56%	0.559	S	S	*	*	H	α-helix	trans	-65.9	-31	-173.6	-76.2	-177.9	-108.2	0	0	114.7	L498 Q502 L503 C504	L498-M500 PolarHBondContact O-N 3.1Å; M500-Q502 VanDerWaalsContact C-N 3.31Å; M500-Q502 PolarHBondContact O-N 2.89Å; M500-L503 PolarHBondContact O-N 2.79Å; M500-C504 PolarHBondContact O-N 3.42Å
501	D	42.2	Very low	54.3	Low	88 Å²	88	106.2 Å²	106.2	47%	0.471	56%	0.561	S	S	.	*	H	α-helix	trans	-69.6	-27.6	-177.7	-93.2	4.1	0	0	0	113.1	W499 T505	W499-D501 PolarHBondContact O-N 3.32Å; D501-T505 PolarHBondContact O-OG1 3.34Å
502	Q	43.5	Very low	52.4	Low	149 Å²	149	108.6 Å²	108.6	70%	0.696	57%	0.565	S	S	*	*	H	α-helix	trans	-79.6	-30.4	176.9	-71.1	-176.1	-13	0	0	112.5	W499 M500	W499-Q502 PolarHBondContact O-N 3.23Å; M500-Q502 VanDerWaalsContact C-N 3.31Å; M500-Q502 PolarHBondContact O-N 2.89Å
503	L	38.4	Very low	50.4	Low	85 Å²	85	106.4 Å²	106.4	45%	0.445	55%	0.553	S	S	.	*	H	α-helix	trans	-70.8	-37.7	179.1	-86.2	153.2	0	0	0	113.4	V47 M500	V47-L503 HydrophobicContact CB-CD2 3.78Å; V47-L503 HydrophobicContact CG1-CD2 3.17Å; V47-L503 HydrophobicContact CG1-CG 3.63Å; V47-L503 HydrophobicContact CG2-CD2 3.31Å; M500-L503 PolarHBondContact O-N 2.79Å
504	C	37.1	Very low	48.2	Very low	98 Å²	98	99.3 Å²	99.3	66%	0.662	53%	0.533	S	S	*	.	H	α-helix	trans	-90.9	-13.6	-169.7	-65.5	0	0	0	0	114.8	M500	M500-C504 PolarHBondContact O-N 3.42Å
505	T	43.1	Very low	46	Very low	72 Å²	72	98.2 Å²	98.2	44%	0.442	53%	0.533	S	S	.	.	H	α-helix	trans	-140.8	12.4	-165.3	65.6	0	0	0	0	115.8	R488 D501 C507	R488-T505 PolarHBondContact NH2-O 2.78Å; D501-T505 PolarHBondContact O-OG1 3.34Å; T505-C507 PolarHBondContact O-N 2.71Å
506	G	40.3	Very low	44.1	Very low	8 Å²	8	99.5 Å²	99.5	8%	0.082	54%	0.54	C	S	.	.	S	Bend	trans	-59.7	111.9	159.8	0	0	0	0	0	107.2	S49 M508	S49-G506 WeakPolarHBondContact OG-CA 3.38Å; S49-G506 PolarHBondContact OG-O 3.36Å; G506-M508 PolarHBondContact O-N 3.05Å
507	C	43.7	Very low	42.7	Very low	45 Å²	45	99 Å²	99	30%	0.304	54%	0.535	S	S	.	.			trans	-44	96.2	-163	-79.8	0	0	0	0	111.7	N52 T505 K509	N52-C507 HydrophobicContact CB-CB 4.45Å; T505-C507 PolarHBondContact O-N 2.71Å; C507-K509 PolarHBondContact O-N 3.24Å
508	M	39	Very low	41.9	Very low	158 Å²	158	102.6 Å²	102.6	78%	0.778	54%	0.543	S	S	*	.			trans	-52.1	137.3	169.2	-73	-151.8	-84.4	0	0	106.8	G506 T510	G506-M508 PolarHBondContact O-N 3.05Å; M508-T510 PolarHBondContact O-N 2.76Å
509	K	37.4	Very low	41.4	Very low	189 Å²	189	100.7 Å²	100.7	82%	0.822	53%	0.533	S	S	*	.			trans	-45	107.1	169.7	-77.5	179.5	176.2	177.7	0	106.9	C507 L513	C507-K509 PolarHBondContact O-N 3.24Å; K509-L513 HydrophobicContact CB-CD1 4.26Å; K509-L513 HydrophobicContact CG-CD1 4.49Å
510	T	39.1	Very low	40.8	Very low	39 Å²	39	99.6 Å²	99.6	24%	0.239	53%	0.529	C	S	.	.			trans	-61.7	129.4	177.1	36	0	0	0	0	106.2	M508 F512 L513	M508-T510 PolarHBondContact O-N 2.76Å; T510-F512 PolarHBondContact O-N 3.21Å; T510-L513 PolarHBondContact O-N 3.2Å
511	P	38.4	Very low	40.8	Very low	119 Å²	119	98.1 Å²	98.1	77%	0.773	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-59.4	-15.4	-173.4	16.9	-28.2	0	0	0	113.5	L513	P511-L513 VanDerWaalsContact C-N 3.26Å; P511-L513 PolarHBondContact O-N 2.88Å
512	F	39.5	Very low	40.7	Very low	116 Å²	116	98.6 Å²	98.6	51%	0.509	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-73.8	-3.9	175.2	-66.5	-78.4	0	0	0	115.4	T510 G514	T510-F512 PolarHBondContact O-N 3.21Å; F512-G514 PolarHBondContact O-N 3.08Å
513	L	42.8	Very low	40.6	Very low	49 Å²	49	95.8 Å²	95.8	26%	0.257	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-64.8	-20.1	173.8	-85.6	155.2	0	0	0	113.3	K509 T510 P511	K509-L513 HydrophobicContact CB-CD1 4.26Å; K509-L513 HydrophobicContact CG-CD1 4.49Å; T510-L513 PolarHBondContact O-N 3.2Å; P511-L513 VanDerWaalsContact C-N 3.26Å; P511-L513 PolarHBondContact O-N 2.88Å
514	G	38.4	Very low	40.7	Very low	50 Å²	50	96.5 Å²	96.5	52%	0.515	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-39.1	-179.2	0	0	0	0	0	114.2	F512	F512-G514 PolarHBondContact O-N 3.08Å
515	D	39.8	Very low	40.9	Very low	136 Å²	136	96.4 Å²	96.4	73%	0.727	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-12.5	-167.8	-66.7	-20.6	0	0	0	114
516	M	39.2	Very low	40.8	Very low	79 Å²	79	98 Å²	98	39%	0.389	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	13	179.7	-66.8	-155.5	-177.5	0	0	114.3	H518 I519	M516-H518 PolarHBondContact O-N 3.32Å; M516-H518 VanDerWaalsContact O-N 3.08Å; M516-I519 PolarHBondContact O-N 2.82Å
517	A	43.9	Very low	40.8	Very low	60 Å²	60	104.4 Å²	104.4	50%	0.496	55%	0.548	S	S	.	.	G	3₁₀ helix	trans	-59.9	-17.7	173.6	0	0	0	0	0	113.1	I519	A517-I519 VanDerWaalsContact C-N 3.31Å; A517-I519 PolarHBondContact O-N 2.98Å
518	H	44.4	Very low	40.6	Very low	176 Å²	176	109 Å²	109	82%	0.815	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-78.7	-6.8	179.8	-58.9	-59.8	0	0	0	114.9	M516	M516-H518 PolarHBondContact O-N 3.32Å; M516-H518 VanDerWaalsContact O-N 3.08Å
519	I	46.3	Very low	40.8	Very low	85 Å²	85	104.9 Å²	104.9	44%	0.436	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-117.2	12.3	-179.1	-51.2	168.5	0	0	0	110.6	M516 A517	M516-I519 PolarHBondContact O-N 2.82Å; A517-I519 VanDerWaalsContact C-N 3.31Å; A517-I519 PolarHBondContact O-N 2.98Å
520	R	39.8	Very low	41.1	Very low	161 Å²	161	97.3 Å²	97.3	61%	0.608	52%	0.524	S	S	*	.			trans	-116.7	0	-176	-82.8	-169.3	170.7	171.3	6.4	114.3	N478	N478-R520 PolarHBondContact ND2-NH2 3.34Å; N478-R520 PolarHBondContact OD1-NH1 2.9Å; N478-R520 PolarHBondContact OD1-NH2 3Å

Retrieved 520 of 520 residues in 189.3 ms (Link to these results)

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